data_10252 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10252 _Entry.Title ; Solution structure of the HMG_box domain of thymus high mobility group box protein TOX from mouse ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-20 _Entry.Accession_date 2008-11-20 _Entry.Last_release_date 2009-11-20 _Entry.Original_release_date 2009-11-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 H. Li . . . 10252 2 K. Saito . . . 10252 3 S. Koshiba . . . 10252 4 M. Inoue . . . 10252 5 T. Kigawa . . . 10252 6 S. Yokoyama . . . 10252 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10252 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10252 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 10252 '15N chemical shifts' 90 10252 '1H chemical shifts' 599 10252 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 . . 2009-11-20 2008-11-20 original author . 10252 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2CO9 'BMRB Entry Tracking System' 10252 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10252 _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 HMG_box domain of thymus high mobility group box protein TOX from mouse ; _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 H. Li . . . 10252 1 2 K. Saito . . . 10252 1 3 S. Koshiba . . . 10252 1 4 M. Inoue . . . 10252 1 5 T. Kigawa . . . 10252 1 6 S. Yokoyama . . . 10252 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10252 _Assembly.ID 1 _Assembly.Name 'thymus high mobility group box protein TOX' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HMG box' 1 $entity_1 . . yes native no no . . . 10252 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 2CO9 . . . . . . 10252 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10252 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'HMG box' _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 ; GSSGSSGKKKKKKDPNEPQK PVSAYALFFRDTQAAIKGQN PNATFGEVSKIVASMWDGLG EEQKQVYKKKTEAAKKEYLK QLAAYRASLVSKSYTDSGPS SG ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2CO9 . "Solution Structure Of The Hmg_box Domain Of Thymus High Mobility Group Box Protein Tox From Mouse" . . . . . 100.00 102 100.00 100.00 1.08e-64 . . . . 10252 1 2 no DBJ BAA34528 . "KIAA0808 protein [Homo sapiens]" . . . . . 81.37 526 97.59 100.00 2.82e-35 . . . . 10252 1 3 no DBJ BAC26568 . "unnamed protein product [Mus musculus]" . . . . . 81.37 526 100.00 100.00 1.14e-35 . . . . 10252 1 4 no DBJ BAC30091 . "unnamed protein product [Mus musculus]" . . . . . 81.37 526 100.00 100.00 1.42e-35 . . . . 10252 1 5 no DBJ BAG11241 . "thymocyte selection-associated high mobility group box [synthetic construct]" . . . . . 81.37 526 97.59 100.00 2.82e-35 . . . . 10252 1 6 no DBJ BAG63663 . "unnamed protein product [Homo sapiens]" . . . . . 81.37 276 97.59 100.00 3.08e-42 . . . . 10252 1 7 no EMBL CAF93289 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 73.53 448 97.33 97.33 1.11e-42 . . . . 10252 1 8 no EMBL CBY16474 . "CD19-ligand protein [Homo sapiens]" . . . . . 81.37 487 97.59 100.00 1.32e-34 . . . . 10252 1 9 no GB AAH16665 . "Thymocyte selection-associated high mobility group box [Homo sapiens]" . . . . . 81.37 526 97.59 100.00 2.82e-35 . . . . 10252 1 10 no GB AAH80732 . "Thymocyte selection-associated high mobility group box [Mus musculus]" . . . . . 81.37 526 100.00 100.00 1.02e-35 . . . . 10252 1 11 no GB AAI47900 . "TOX protein [Bos taurus]" . . . . . 81.37 527 97.59 100.00 5.07e-35 . . . . 10252 1 12 no GB AAI66269 . "LOC100158584 protein [Xenopus (Silurana) tropicalis]" . . . . . 75.49 580 97.40 98.70 4.83e-44 . . . . 10252 1 13 no GB AAL78656 . "thymus high mobility group box protein TOX [Mus musculus]" . . . . . 81.37 526 100.00 100.00 1.14e-35 . . . . 10252 1 14 no REF NP_001095566 . "thymocyte selection-associated high mobility group box protein TOX [Bos taurus]" . . . . . 81.37 527 97.59 100.00 5.07e-35 . . . . 10252 1 15 no REF NP_001102124 . "thymocyte selection-associated high mobility group box protein TOX [Rattus norvegicus]" . . . . . 81.37 525 98.80 98.80 1.81e-35 . . . . 10252 1 16 no REF NP_001121484 . "TOX high mobility group box family member 3 [Xenopus (Silurana) tropicalis]" . . . . . 75.49 580 97.40 98.70 4.83e-44 . . . . 10252 1 17 no REF NP_001248418 . "thymocyte selection-associated high mobility group box protein TOX [Macaca mulatta]" . . . . . 81.37 526 97.59 100.00 3.15e-35 . . . . 10252 1 18 no REF NP_055544 . "thymocyte selection-associated high mobility group box protein TOX [Homo sapiens]" . . . . . 81.37 526 97.59 100.00 2.82e-35 . . . . 10252 1 19 no SP O94900 . "RecName: Full=Thymocyte selection-associated high mobility group box protein TOX; AltName: Full=Thymus high mobility group box " . . . . . 81.37 526 97.59 100.00 2.82e-35 . . . . 10252 1 20 no SP Q66JW3 . "RecName: Full=Thymocyte selection-associated high mobility group box protein TOX; AltName: Full=Thymus high mobility group box " . . . . . 81.37 526 100.00 100.00 1.14e-35 . . . . 10252 1 21 no TPG DAA22741 . "TPA: thymus high mobility group box protein TOX [Bos taurus]" . . . . . 81.37 527 97.59 100.00 5.07e-35 . . . . 10252 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 . 10252 1 2 . SER . 10252 1 3 . SER . 10252 1 4 . GLY . 10252 1 5 . SER . 10252 1 6 . SER . 10252 1 7 . GLY . 10252 1 8 . LYS . 10252 1 9 . LYS . 10252 1 10 . LYS . 10252 1 11 . LYS . 10252 1 12 . LYS . 10252 1 13 . LYS . 10252 1 14 . ASP . 10252 1 15 . PRO . 10252 1 16 . ASN . 10252 1 17 . GLU . 10252 1 18 . PRO . 10252 1 19 . GLN . 10252 1 20 . LYS . 10252 1 21 . PRO . 10252 1 22 . VAL . 10252 1 23 . SER . 10252 1 24 . ALA . 10252 1 25 . TYR . 10252 1 26 . ALA . 10252 1 27 . LEU . 10252 1 28 . PHE . 10252 1 29 . PHE . 10252 1 30 . ARG . 10252 1 31 . ASP . 10252 1 32 . THR . 10252 1 33 . GLN . 10252 1 34 . ALA . 10252 1 35 . ALA . 10252 1 36 . ILE . 10252 1 37 . LYS . 10252 1 38 . GLY . 10252 1 39 . GLN . 10252 1 40 . ASN . 10252 1 41 . PRO . 10252 1 42 . ASN . 10252 1 43 . ALA . 10252 1 44 . THR . 10252 1 45 . PHE . 10252 1 46 . GLY . 10252 1 47 . GLU . 10252 1 48 . VAL . 10252 1 49 . SER . 10252 1 50 . LYS . 10252 1 51 . ILE . 10252 1 52 . VAL . 10252 1 53 . ALA . 10252 1 54 . SER . 10252 1 55 . MET . 10252 1 56 . TRP . 10252 1 57 . ASP . 10252 1 58 . GLY . 10252 1 59 . LEU . 10252 1 60 . GLY . 10252 1 61 . GLU . 10252 1 62 . GLU . 10252 1 63 . GLN . 10252 1 64 . LYS . 10252 1 65 . GLN . 10252 1 66 . VAL . 10252 1 67 . TYR . 10252 1 68 . LYS . 10252 1 69 . LYS . 10252 1 70 . LYS . 10252 1 71 . THR . 10252 1 72 . GLU . 10252 1 73 . ALA . 10252 1 74 . ALA . 10252 1 75 . LYS . 10252 1 76 . LYS . 10252 1 77 . GLU . 10252 1 78 . TYR . 10252 1 79 . LEU . 10252 1 80 . LYS . 10252 1 81 . GLN . 10252 1 82 . LEU . 10252 1 83 . ALA . 10252 1 84 . ALA . 10252 1 85 . TYR . 10252 1 86 . ARG . 10252 1 87 . ALA . 10252 1 88 . SER . 10252 1 89 . LEU . 10252 1 90 . VAL . 10252 1 91 . SER . 10252 1 92 . LYS . 10252 1 93 . SER . 10252 1 94 . TYR . 10252 1 95 . THR . 10252 1 96 . ASP . 10252 1 97 . SER . 10252 1 98 . GLY . 10252 1 99 . PRO . 10252 1 100 . SER . 10252 1 101 . SER . 10252 1 102 . GLY . 10252 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 10252 1 . SER 2 2 10252 1 . SER 3 3 10252 1 . GLY 4 4 10252 1 . SER 5 5 10252 1 . SER 6 6 10252 1 . GLY 7 7 10252 1 . LYS 8 8 10252 1 . LYS 9 9 10252 1 . LYS 10 10 10252 1 . LYS 11 11 10252 1 . LYS 12 12 10252 1 . LYS 13 13 10252 1 . ASP 14 14 10252 1 . PRO 15 15 10252 1 . ASN 16 16 10252 1 . GLU 17 17 10252 1 . PRO 18 18 10252 1 . GLN 19 19 10252 1 . LYS 20 20 10252 1 . PRO 21 21 10252 1 . VAL 22 22 10252 1 . SER 23 23 10252 1 . ALA 24 24 10252 1 . TYR 25 25 10252 1 . ALA 26 26 10252 1 . LEU 27 27 10252 1 . PHE 28 28 10252 1 . PHE 29 29 10252 1 . ARG 30 30 10252 1 . ASP 31 31 10252 1 . THR 32 32 10252 1 . GLN 33 33 10252 1 . ALA 34 34 10252 1 . ALA 35 35 10252 1 . ILE 36 36 10252 1 . LYS 37 37 10252 1 . GLY 38 38 10252 1 . GLN 39 39 10252 1 . ASN 40 40 10252 1 . PRO 41 41 10252 1 . ASN 42 42 10252 1 . ALA 43 43 10252 1 . THR 44 44 10252 1 . PHE 45 45 10252 1 . GLY 46 46 10252 1 . GLU 47 47 10252 1 . VAL 48 48 10252 1 . SER 49 49 10252 1 . LYS 50 50 10252 1 . ILE 51 51 10252 1 . VAL 52 52 10252 1 . ALA 53 53 10252 1 . SER 54 54 10252 1 . MET 55 55 10252 1 . TRP 56 56 10252 1 . ASP 57 57 10252 1 . GLY 58 58 10252 1 . LEU 59 59 10252 1 . GLY 60 60 10252 1 . GLU 61 61 10252 1 . GLU 62 62 10252 1 . GLN 63 63 10252 1 . LYS 64 64 10252 1 . GLN 65 65 10252 1 . VAL 66 66 10252 1 . TYR 67 67 10252 1 . LYS 68 68 10252 1 . LYS 69 69 10252 1 . LYS 70 70 10252 1 . THR 71 71 10252 1 . GLU 72 72 10252 1 . ALA 73 73 10252 1 . ALA 74 74 10252 1 . LYS 75 75 10252 1 . LYS 76 76 10252 1 . GLU 77 77 10252 1 . TYR 78 78 10252 1 . LEU 79 79 10252 1 . LYS 80 80 10252 1 . GLN 81 81 10252 1 . LEU 82 82 10252 1 . ALA 83 83 10252 1 . ALA 84 84 10252 1 . TYR 85 85 10252 1 . ARG 86 86 10252 1 . ALA 87 87 10252 1 . SER 88 88 10252 1 . LEU 89 89 10252 1 . VAL 90 90 10252 1 . SER 91 91 10252 1 . LYS 92 92 10252 1 . SER 93 93 10252 1 . TYR 94 94 10252 1 . THR 95 95 10252 1 . ASP 96 96 10252 1 . SER 97 97 10252 1 . GLY 98 98 10252 1 . PRO 99 99 10252 1 . SER 100 100 10252 1 . SER 101 101 10252 1 . GLY 102 102 10252 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 10252 _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 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10252 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 10252 _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 . . P040719-05 . . . . . . 10252 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10252 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HMG_box domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.28 . . mM . . . . 10252 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10252 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10252 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10252 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10252 1 6 H2O . . . . . . solvent 90 . . % . . . . 10252 1 7 D2O . . . . . . solvent 10 . . % . . . . 10252 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 10252 _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 10252 1 pH 7.0 0.05 pH 10252 1 pressure 1 0.001 atm 10252 1 temperature 298 0.1 K 10252 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10252 _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 . . 10252 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10252 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10252 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10252 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10252 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10252 _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.' . . 10252 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10252 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10252 _Software.ID 4 _Software.Name Kujira _Software.Version 0.913 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10252 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10252 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10252 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10252 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10252 5 'structure solution' 10252 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 10252 _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_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10252 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10252 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10252 _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 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10252 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10252 1 stop_ 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 10252 _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 . . . . . . . . . 10252 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10252 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10252 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 10252 _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 10252 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10252 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 12 12 LYS HA H 1 4.317 0.030 . 1 . . . . 12 LYS HA . 10252 1 2 . 1 1 12 12 LYS HB2 H 1 1.807 0.030 . 1 . . . . 12 LYS HB2 . 10252 1 3 . 1 1 12 12 LYS HB3 H 1 1.807 0.030 . 1 . . . . 12 LYS HB3 . 10252 1 4 . 1 1 12 12 LYS HG2 H 1 1.433 0.030 . 1 . . . . 12 LYS HG2 . 10252 1 5 . 1 1 12 12 LYS HG3 H 1 1.433 0.030 . 1 . . . . 12 LYS HG3 . 10252 1 6 . 1 1 12 12 LYS C C 13 176.329 0.300 . 1 . . . . 12 LYS C . 10252 1 7 . 1 1 12 12 LYS CA C 13 56.223 0.300 . 1 . . . . 12 LYS CA . 10252 1 8 . 1 1 12 12 LYS CB C 13 33.117 0.300 . 1 . . . . 12 LYS CB . 10252 1 9 . 1 1 12 12 LYS CD C 13 29.204 0.300 . 1 . . . . 12 LYS CD . 10252 1 10 . 1 1 12 12 LYS CE C 13 42.246 0.300 . 1 . . . . 12 LYS CE . 10252 1 11 . 1 1 12 12 LYS CG C 13 24.683 0.300 . 1 . . . . 12 LYS CG . 10252 1 12 . 1 1 13 13 LYS H H 1 8.394 0.030 . 1 . . . . 13 LYS H . 10252 1 13 . 1 1 13 13 LYS HA H 1 4.273 0.030 . 1 . . . . 13 LYS HA . 10252 1 14 . 1 1 13 13 LYS HB2 H 1 1.748 0.030 . 2 . . . . 13 LYS HB2 . 10252 1 15 . 1 1 13 13 LYS HB3 H 1 1.823 0.030 . 2 . . . . 13 LYS HB3 . 10252 1 16 . 1 1 13 13 LYS HG2 H 1 1.444 0.030 . 1 . . . . 13 LYS HG2 . 10252 1 17 . 1 1 13 13 LYS HG3 H 1 1.444 0.030 . 1 . . . . 13 LYS HG3 . 10252 1 18 . 1 1 13 13 LYS C C 13 175.990 0.300 . 1 . . . . 13 LYS C . 10252 1 19 . 1 1 13 13 LYS CA C 13 56.222 0.300 . 1 . . . . 13 LYS CA . 10252 1 20 . 1 1 13 13 LYS CB C 13 33.223 0.300 . 1 . . . . 13 LYS CB . 10252 1 21 . 1 1 13 13 LYS CD C 13 29.204 0.300 . 1 . . . . 13 LYS CD . 10252 1 22 . 1 1 13 13 LYS CE C 13 42.246 0.300 . 1 . . . . 13 LYS CE . 10252 1 23 . 1 1 13 13 LYS CG C 13 24.683 0.300 . 1 . . . . 13 LYS CG . 10252 1 24 . 1 1 13 13 LYS N N 15 123.900 0.300 . 1 . . . . 13 LYS N . 10252 1 25 . 1 1 14 14 ASP H H 1 8.625 0.030 . 1 . . . . 14 ASP H . 10252 1 26 . 1 1 14 14 ASP HA H 1 4.902 0.030 . 1 . . . . 14 ASP HA . 10252 1 27 . 1 1 14 14 ASP HB2 H 1 2.623 0.030 . 2 . . . . 14 ASP HB2 . 10252 1 28 . 1 1 14 14 ASP HB3 H 1 2.912 0.030 . 2 . . . . 14 ASP HB3 . 10252 1 29 . 1 1 14 14 ASP CA C 13 51.958 0.300 . 1 . . . . 14 ASP CA . 10252 1 30 . 1 1 14 14 ASP CB C 13 41.422 0.300 . 1 . . . . 14 ASP CB . 10252 1 31 . 1 1 14 14 ASP N N 15 124.861 0.300 . 1 . . . . 14 ASP N . 10252 1 32 . 1 1 15 15 PRO HA H 1 4.442 0.030 . 1 . . . . 15 PRO HA . 10252 1 33 . 1 1 15 15 PRO HB2 H 1 2.344 0.030 . 2 . . . . 15 PRO HB2 . 10252 1 34 . 1 1 15 15 PRO HB3 H 1 2.023 0.030 . 2 . . . . 15 PRO HB3 . 10252 1 35 . 1 1 15 15 PRO HD2 H 1 3.921 0.030 . 1 . . . . 15 PRO HD2 . 10252 1 36 . 1 1 15 15 PRO HD3 H 1 3.921 0.030 . 1 . . . . 15 PRO HD3 . 10252 1 37 . 1 1 15 15 PRO HG2 H 1 2.012 0.030 . 2 . . . . 15 PRO HG2 . 10252 1 38 . 1 1 15 15 PRO HG3 H 1 2.063 0.030 . 2 . . . . 15 PRO HG3 . 10252 1 39 . 1 1 15 15 PRO C C 13 176.634 0.300 . 1 . . . . 15 PRO C . 10252 1 40 . 1 1 15 15 PRO CA C 13 63.606 0.300 . 1 . . . . 15 PRO CA . 10252 1 41 . 1 1 15 15 PRO CB C 13 32.323 0.300 . 1 . . . . 15 PRO CB . 10252 1 42 . 1 1 15 15 PRO CD C 13 50.974 0.300 . 1 . . . . 15 PRO CD . 10252 1 43 . 1 1 15 15 PRO CG C 13 27.129 0.300 . 1 . . . . 15 PRO CG . 10252 1 44 . 1 1 16 16 ASN H H 1 8.414 0.030 . 1 . . . . 16 ASN H . 10252 1 45 . 1 1 16 16 ASN HA H 1 4.683 0.030 . 1 . . . . 16 ASN HA . 10252 1 46 . 1 1 16 16 ASN HB2 H 1 2.843 0.030 . 1 . . . . 16 ASN HB2 . 10252 1 47 . 1 1 16 16 ASN HB3 H 1 2.843 0.030 . 1 . . . . 16 ASN HB3 . 10252 1 48 . 1 1 16 16 ASN HD21 H 1 7.801 0.030 . 2 . . . . 16 ASN HD21 . 10252 1 49 . 1 1 16 16 ASN HD22 H 1 6.994 0.030 . 2 . . . . 16 ASN HD22 . 10252 1 50 . 1 1 16 16 ASN C C 13 174.365 0.300 . 1 . . . . 16 ASN C . 10252 1 51 . 1 1 16 16 ASN CA C 13 52.946 0.300 . 1 . . . . 16 ASN CA . 10252 1 52 . 1 1 16 16 ASN CB C 13 39.266 0.300 . 1 . . . . 16 ASN CB . 10252 1 53 . 1 1 16 16 ASN N N 15 116.873 0.300 . 1 . . . . 16 ASN N . 10252 1 54 . 1 1 16 16 ASN ND2 N 15 114.190 0.300 . 1 . . . . 16 ASN ND2 . 10252 1 55 . 1 1 17 17 GLU H H 1 7.712 0.030 . 1 . . . . 17 GLU H . 10252 1 56 . 1 1 17 17 GLU HA H 1 3.233 0.030 . 1 . . . . 17 GLU HA . 10252 1 57 . 1 1 17 17 GLU HB2 H 1 1.704 0.030 . 2 . . . . 17 GLU HB2 . 10252 1 58 . 1 1 17 17 GLU HB3 H 1 1.793 0.030 . 2 . . . . 17 GLU HB3 . 10252 1 59 . 1 1 17 17 GLU HG2 H 1 2.163 0.030 . 2 . . . . 17 GLU HG2 . 10252 1 60 . 1 1 17 17 GLU HG3 H 1 1.982 0.030 . 2 . . . . 17 GLU HG3 . 10252 1 61 . 1 1 17 17 GLU C C 13 174.415 0.300 . 1 . . . . 17 GLU C . 10252 1 62 . 1 1 17 17 GLU CA C 13 54.423 0.300 . 1 . . . . 17 GLU CA . 10252 1 63 . 1 1 17 17 GLU CB C 13 29.911 0.300 . 1 . . . . 17 GLU CB . 10252 1 64 . 1 1 17 17 GLU CG C 13 35.799 0.300 . 1 . . . . 17 GLU CG . 10252 1 65 . 1 1 17 17 GLU N N 15 122.673 0.300 . 1 . . . . 17 GLU N . 10252 1 66 . 1 1 18 18 PRO HA H 1 4.384 0.030 . 1 . . . . 18 PRO HA . 10252 1 67 . 1 1 18 18 PRO HB2 H 1 2.391 0.030 . 2 . . . . 18 PRO HB2 . 10252 1 68 . 1 1 18 18 PRO HB3 H 1 1.923 0.030 . 2 . . . . 18 PRO HB3 . 10252 1 69 . 1 1 18 18 PRO HD2 H 1 3.333 0.030 . 2 . . . . 18 PRO HD2 . 10252 1 70 . 1 1 18 18 PRO HD3 H 1 3.113 0.030 . 2 . . . . 18 PRO HD3 . 10252 1 71 . 1 1 18 18 PRO HG2 H 1 1.743 0.030 . 1 . . . . 18 PRO HG2 . 10252 1 72 . 1 1 18 18 PRO HG3 H 1 1.743 0.030 . 1 . . . . 18 PRO HG3 . 10252 1 73 . 1 1 18 18 PRO CA C 13 62.896 0.300 . 1 . . . . 18 PRO CA . 10252 1 74 . 1 1 18 18 PRO CB C 13 31.963 0.300 . 1 . . . . 18 PRO CB . 10252 1 75 . 1 1 18 18 PRO CD C 13 50.398 0.300 . 1 . . . . 18 PRO CD . 10252 1 76 . 1 1 18 18 PRO CG C 13 27.623 0.300 . 1 . . . . 18 PRO CG . 10252 1 77 . 1 1 19 19 GLN H H 1 8.654 0.030 . 1 . . . . 19 GLN H . 10252 1 78 . 1 1 19 19 GLN HA H 1 4.293 0.030 . 1 . . . . 19 GLN HA . 10252 1 79 . 1 1 19 19 GLN HB2 H 1 1.937 0.030 . 2 . . . . 19 GLN HB2 . 10252 1 80 . 1 1 19 19 GLN HB3 H 1 2.017 0.030 . 2 . . . . 19 GLN HB3 . 10252 1 81 . 1 1 19 19 GLN HE21 H 1 6.890 0.030 . 2 . . . . 19 GLN HE21 . 10252 1 82 . 1 1 19 19 GLN HE22 H 1 7.550 0.030 . 2 . . . . 19 GLN HE22 . 10252 1 83 . 1 1 19 19 GLN HG2 H 1 2.403 0.030 . 1 . . . . 19 GLN HG2 . 10252 1 84 . 1 1 19 19 GLN HG3 H 1 2.403 0.030 . 1 . . . . 19 GLN HG3 . 10252 1 85 . 1 1 19 19 GLN C C 13 175.384 0.300 . 1 . . . . 19 GLN C . 10252 1 86 . 1 1 19 19 GLN CA C 13 55.057 0.300 . 1 . . . . 19 GLN CA . 10252 1 87 . 1 1 19 19 GLN CB C 13 29.793 0.300 . 1 . . . . 19 GLN CB . 10252 1 88 . 1 1 19 19 GLN CG C 13 33.893 0.300 . 1 . . . . 19 GLN CG . 10252 1 89 . 1 1 19 19 GLN N N 15 122.106 0.300 . 1 . . . . 19 GLN N . 10252 1 90 . 1 1 19 19 GLN NE2 N 15 113.711 0.300 . 1 . . . . 19 GLN NE2 . 10252 1 91 . 1 1 20 20 LYS H H 1 8.383 0.030 . 1 . . . . 20 LYS H . 10252 1 92 . 1 1 20 20 LYS HA H 1 3.393 0.030 . 1 . . . . 20 LYS HA . 10252 1 93 . 1 1 20 20 LYS HB2 H 1 1.525 0.030 . 2 . . . . 20 LYS HB2 . 10252 1 94 . 1 1 20 20 LYS HB3 H 1 1.482 0.030 . 2 . . . . 20 LYS HB3 . 10252 1 95 . 1 1 20 20 LYS HD2 H 1 1.613 0.030 . 1 . . . . 20 LYS HD2 . 10252 1 96 . 1 1 20 20 LYS HD3 H 1 1.613 0.030 . 1 . . . . 20 LYS HD3 . 10252 1 97 . 1 1 20 20 LYS HE2 H 1 3.003 0.030 . 1 . . . . 20 LYS HE2 . 10252 1 98 . 1 1 20 20 LYS HE3 H 1 3.003 0.030 . 1 . . . . 20 LYS HE3 . 10252 1 99 . 1 1 20 20 LYS HG2 H 1 1.303 0.030 . 2 . . . . 20 LYS HG2 . 10252 1 100 . 1 1 20 20 LYS HG3 H 1 1.211 0.030 . 2 . . . . 20 LYS HG3 . 10252 1 101 . 1 1 20 20 LYS C C 13 174.706 0.300 . 1 . . . . 20 LYS C . 10252 1 102 . 1 1 20 20 LYS CA C 13 54.951 0.300 . 1 . . . . 20 LYS CA . 10252 1 103 . 1 1 20 20 LYS CB C 13 31.802 0.300 . 1 . . . . 20 LYS CB . 10252 1 104 . 1 1 20 20 LYS CD C 13 29.465 0.300 . 1 . . . . 20 LYS CD . 10252 1 105 . 1 1 20 20 LYS CE C 13 42.159 0.300 . 1 . . . . 20 LYS CE . 10252 1 106 . 1 1 20 20 LYS CG C 13 25.133 0.300 . 1 . . . . 20 LYS CG . 10252 1 107 . 1 1 20 20 LYS N N 15 124.861 0.300 . 1 . . . . 20 LYS N . 10252 1 108 . 1 1 21 21 PRO HA H 1 4.500 0.030 . 1 . . . . 21 PRO HA . 10252 1 109 . 1 1 21 21 PRO HB2 H 1 2.233 0.030 . 2 . . . . 21 PRO HB2 . 10252 1 110 . 1 1 21 21 PRO HB3 H 1 1.911 0.030 . 2 . . . . 21 PRO HB3 . 10252 1 111 . 1 1 21 21 PRO HD2 H 1 3.033 0.030 . 1 . . . . 21 PRO HD2 . 10252 1 112 . 1 1 21 21 PRO HD3 H 1 3.033 0.030 . 1 . . . . 21 PRO HD3 . 10252 1 113 . 1 1 21 21 PRO HG2 H 1 1.793 0.030 . 2 . . . . 21 PRO HG2 . 10252 1 114 . 1 1 21 21 PRO HG3 H 1 1.713 0.030 . 2 . . . . 21 PRO HG3 . 10252 1 115 . 1 1 21 21 PRO C C 13 176.741 0.300 . 1 . . . . 21 PRO C . 10252 1 116 . 1 1 21 21 PRO CA C 13 62.396 0.300 . 1 . . . . 21 PRO CA . 10252 1 117 . 1 1 21 21 PRO CB C 13 32.392 0.300 . 1 . . . . 21 PRO CB . 10252 1 118 . 1 1 21 21 PRO CD C 13 49.945 0.300 . 1 . . . . 21 PRO CD . 10252 1 119 . 1 1 21 21 PRO CG C 13 27.458 0.300 . 1 . . . . 21 PRO CG . 10252 1 120 . 1 1 22 22 VAL H H 1 7.850 0.030 . 1 . . . . 22 VAL H . 10252 1 121 . 1 1 22 22 VAL HA H 1 4.303 0.030 . 1 . . . . 22 VAL HA . 10252 1 122 . 1 1 22 22 VAL HB H 1 2.233 0.030 . 1 . . . . 22 VAL HB . 10252 1 123 . 1 1 22 22 VAL HG11 H 1 0.962 0.030 . 1 . . . . 22 VAL HG1 . 10252 1 124 . 1 1 22 22 VAL HG12 H 1 0.962 0.030 . 1 . . . . 22 VAL HG1 . 10252 1 125 . 1 1 22 22 VAL HG13 H 1 0.962 0.030 . 1 . . . . 22 VAL HG1 . 10252 1 126 . 1 1 22 22 VAL HG21 H 1 0.913 0.030 . 1 . . . . 22 VAL HG2 . 10252 1 127 . 1 1 22 22 VAL HG22 H 1 0.913 0.030 . 1 . . . . 22 VAL HG2 . 10252 1 128 . 1 1 22 22 VAL HG23 H 1 0.913 0.030 . 1 . . . . 22 VAL HG2 . 10252 1 129 . 1 1 22 22 VAL C C 13 175.615 0.300 . 1 . . . . 22 VAL C . 10252 1 130 . 1 1 22 22 VAL CA C 13 60.967 0.300 . 1 . . . . 22 VAL CA . 10252 1 131 . 1 1 22 22 VAL CB C 13 32.342 0.300 . 1 . . . . 22 VAL CB . 10252 1 132 . 1 1 22 22 VAL CG1 C 13 21.538 0.300 . 2 . . . . 22 VAL CG1 . 10252 1 133 . 1 1 22 22 VAL CG2 C 13 18.643 0.300 . 2 . . . . 22 VAL CG2 . 10252 1 134 . 1 1 22 22 VAL N N 15 115.924 0.300 . 1 . . . . 22 VAL N . 10252 1 135 . 1 1 23 23 SER H H 1 8.125 0.030 . 1 . . . . 23 SER H . 10252 1 136 . 1 1 23 23 SER HA H 1 4.433 0.030 . 1 . . . . 23 SER HA . 10252 1 137 . 1 1 23 23 SER HB2 H 1 4.061 0.030 . 2 . . . . 23 SER HB2 . 10252 1 138 . 1 1 23 23 SER HB3 H 1 4.413 0.030 . 2 . . . . 23 SER HB3 . 10252 1 139 . 1 1 23 23 SER C C 13 173.516 0.300 . 1 . . . . 23 SER C . 10252 1 140 . 1 1 23 23 SER CA C 13 57.590 0.300 . 1 . . . . 23 SER CA . 10252 1 141 . 1 1 23 23 SER CB C 13 65.578 0.300 . 1 . . . . 23 SER CB . 10252 1 142 . 1 1 23 23 SER N N 15 116.922 0.300 . 1 . . . . 23 SER N . 10252 1 143 . 1 1 24 24 ALA H H 1 8.707 0.030 . 1 . . . . 24 ALA H . 10252 1 144 . 1 1 24 24 ALA HA H 1 4.046 0.030 . 1 . . . . 24 ALA HA . 10252 1 145 . 1 1 24 24 ALA HB1 H 1 1.603 0.030 . 1 . . . . 24 ALA HB . 10252 1 146 . 1 1 24 24 ALA HB2 H 1 1.603 0.030 . 1 . . . . 24 ALA HB . 10252 1 147 . 1 1 24 24 ALA HB3 H 1 1.603 0.030 . 1 . . . . 24 ALA HB . 10252 1 148 . 1 1 24 24 ALA C C 13 178.727 0.300 . 1 . . . . 24 ALA C . 10252 1 149 . 1 1 24 24 ALA CA C 13 55.971 0.300 . 1 . . . . 24 ALA CA . 10252 1 150 . 1 1 24 24 ALA CB C 13 18.505 0.300 . 1 . . . . 24 ALA CB . 10252 1 151 . 1 1 24 24 ALA N N 15 123.025 0.300 . 1 . . . . 24 ALA N . 10252 1 152 . 1 1 25 25 TYR H H 1 8.119 0.030 . 1 . . . . 25 TYR H . 10252 1 153 . 1 1 25 25 TYR HA H 1 2.678 0.030 . 1 . . . . 25 TYR HA . 10252 1 154 . 1 1 25 25 TYR HB2 H 1 2.288 0.030 . 2 . . . . 25 TYR HB2 . 10252 1 155 . 1 1 25 25 TYR HB3 H 1 2.202 0.030 . 2 . . . . 25 TYR HB3 . 10252 1 156 . 1 1 25 25 TYR HD1 H 1 6.054 0.030 . 1 . . . . 25 TYR HD1 . 10252 1 157 . 1 1 25 25 TYR HD2 H 1 6.054 0.030 . 1 . . . . 25 TYR HD2 . 10252 1 158 . 1 1 25 25 TYR HE1 H 1 6.585 0.030 . 1 . . . . 25 TYR HE1 . 10252 1 159 . 1 1 25 25 TYR HE2 H 1 6.585 0.030 . 1 . . . . 25 TYR HE2 . 10252 1 160 . 1 1 25 25 TYR C C 13 176.253 0.300 . 1 . . . . 25 TYR C . 10252 1 161 . 1 1 25 25 TYR CA C 13 60.281 0.300 . 1 . . . . 25 TYR CA . 10252 1 162 . 1 1 25 25 TYR CB C 13 37.951 0.300 . 1 . . . . 25 TYR CB . 10252 1 163 . 1 1 25 25 TYR CD1 C 13 132.949 0.300 . 1 . . . . 25 TYR CD1 . 10252 1 164 . 1 1 25 25 TYR CD2 C 13 132.949 0.300 . 1 . . . . 25 TYR CD2 . 10252 1 165 . 1 1 25 25 TYR CE1 C 13 117.219 0.300 . 1 . . . . 25 TYR CE1 . 10252 1 166 . 1 1 25 25 TYR CE2 C 13 117.219 0.300 . 1 . . . . 25 TYR CE2 . 10252 1 167 . 1 1 25 25 TYR N N 15 115.954 0.300 . 1 . . . . 25 TYR N . 10252 1 168 . 1 1 26 26 ALA H H 1 7.742 0.030 . 1 . . . . 26 ALA H . 10252 1 169 . 1 1 26 26 ALA HA H 1 3.758 0.030 . 1 . . . . 26 ALA HA . 10252 1 170 . 1 1 26 26 ALA HB1 H 1 1.442 0.030 . 1 . . . . 26 ALA HB . 10252 1 171 . 1 1 26 26 ALA HB2 H 1 1.442 0.030 . 1 . . . . 26 ALA HB . 10252 1 172 . 1 1 26 26 ALA HB3 H 1 1.442 0.030 . 1 . . . . 26 ALA HB . 10252 1 173 . 1 1 26 26 ALA C C 13 181.489 0.300 . 1 . . . . 26 ALA C . 10252 1 174 . 1 1 26 26 ALA CA C 13 54.859 0.300 . 1 . . . . 26 ALA CA . 10252 1 175 . 1 1 26 26 ALA CB C 13 18.029 0.300 . 1 . . . . 26 ALA CB . 10252 1 176 . 1 1 26 26 ALA N N 15 121.384 0.300 . 1 . . . . 26 ALA N . 10252 1 177 . 1 1 27 27 LEU H H 1 7.991 0.030 . 1 . . . . 27 LEU H . 10252 1 178 . 1 1 27 27 LEU HA H 1 4.023 0.030 . 1 . . . . 27 LEU HA . 10252 1 179 . 1 1 27 27 LEU HB2 H 1 2.213 0.030 . 2 . . . . 27 LEU HB2 . 10252 1 180 . 1 1 27 27 LEU HB3 H 1 1.814 0.030 . 2 . . . . 27 LEU HB3 . 10252 1 181 . 1 1 27 27 LEU HD11 H 1 1.043 0.030 . 1 . . . . 27 LEU HD1 . 10252 1 182 . 1 1 27 27 LEU HD12 H 1 1.043 0.030 . 1 . . . . 27 LEU HD1 . 10252 1 183 . 1 1 27 27 LEU HD13 H 1 1.043 0.030 . 1 . . . . 27 LEU HD1 . 10252 1 184 . 1 1 27 27 LEU HD21 H 1 0.903 0.030 . 1 . . . . 27 LEU HD2 . 10252 1 185 . 1 1 27 27 LEU HD22 H 1 0.903 0.030 . 1 . . . . 27 LEU HD2 . 10252 1 186 . 1 1 27 27 LEU HD23 H 1 0.903 0.030 . 1 . . . . 27 LEU HD2 . 10252 1 187 . 1 1 27 27 LEU HG H 1 1.923 0.030 . 1 . . . . 27 LEU HG . 10252 1 188 . 1 1 27 27 LEU C C 13 178.625 0.300 . 1 . . . . 27 LEU C . 10252 1 189 . 1 1 27 27 LEU CA C 13 57.876 0.300 . 1 . . . . 27 LEU CA . 10252 1 190 . 1 1 27 27 LEU CB C 13 42.103 0.300 . 1 . . . . 27 LEU CB . 10252 1 191 . 1 1 27 27 LEU CD1 C 13 25.793 0.300 . 2 . . . . 27 LEU CD1 . 10252 1 192 . 1 1 27 27 LEU CD2 C 13 23.347 0.300 . 2 . . . . 27 LEU CD2 . 10252 1 193 . 1 1 27 27 LEU CG C 13 26.423 0.300 . 1 . . . . 27 LEU CG . 10252 1 194 . 1 1 27 27 LEU N N 15 120.626 0.300 . 1 . . . . 27 LEU N . 10252 1 195 . 1 1 28 28 PHE H H 1 7.706 0.030 . 1 . . . . 28 PHE H . 10252 1 196 . 1 1 28 28 PHE HA H 1 3.653 0.030 . 1 . . . . 28 PHE HA . 10252 1 197 . 1 1 28 28 PHE HB2 H 1 2.492 0.030 . 2 . . . . 28 PHE HB2 . 10252 1 198 . 1 1 28 28 PHE HB3 H 1 2.013 0.030 . 2 . . . . 28 PHE HB3 . 10252 1 199 . 1 1 28 28 PHE HD1 H 1 6.823 0.030 . 1 . . . . 28 PHE HD1 . 10252 1 200 . 1 1 28 28 PHE HD2 H 1 6.823 0.030 . 1 . . . . 28 PHE HD2 . 10252 1 201 . 1 1 28 28 PHE HE1 H 1 7.612 0.030 . 1 . . . . 28 PHE HE1 . 10252 1 202 . 1 1 28 28 PHE HE2 H 1 7.612 0.030 . 1 . . . . 28 PHE HE2 . 10252 1 203 . 1 1 28 28 PHE HZ H 1 7.225 0.030 . 1 . . . . 28 PHE HZ . 10252 1 204 . 1 1 28 28 PHE C C 13 178.640 0.300 . 1 . . . . 28 PHE C . 10252 1 205 . 1 1 28 28 PHE CA C 13 61.653 0.300 . 1 . . . . 28 PHE CA . 10252 1 206 . 1 1 28 28 PHE CB C 13 39.060 0.300 . 1 . . . . 28 PHE CB . 10252 1 207 . 1 1 28 28 PHE CD1 C 13 131.879 0.300 . 1 . . . . 28 PHE CD1 . 10252 1 208 . 1 1 28 28 PHE CD2 C 13 131.879 0.300 . 1 . . . . 28 PHE CD2 . 10252 1 209 . 1 1 28 28 PHE CE1 C 13 132.084 0.300 . 1 . . . . 28 PHE CE1 . 10252 1 210 . 1 1 28 28 PHE CE2 C 13 132.084 0.300 . 1 . . . . 28 PHE CE2 . 10252 1 211 . 1 1 28 28 PHE CZ C 13 129.581 0.300 . 1 . . . . 28 PHE CZ . 10252 1 212 . 1 1 28 28 PHE N N 15 122.656 0.300 . 1 . . . . 28 PHE N . 10252 1 213 . 1 1 29 29 PHE H H 1 9.246 0.030 . 1 . . . . 29 PHE H . 10252 1 214 . 1 1 29 29 PHE HA H 1 3.483 0.030 . 1 . . . . 29 PHE HA . 10252 1 215 . 1 1 29 29 PHE HB2 H 1 3.083 0.030 . 2 . . . . 29 PHE HB2 . 10252 1 216 . 1 1 29 29 PHE HB3 H 1 2.323 0.030 . 2 . . . . 29 PHE HB3 . 10252 1 217 . 1 1 29 29 PHE HD1 H 1 7.054 0.030 . 1 . . . . 29 PHE HD1 . 10252 1 218 . 1 1 29 29 PHE HD2 H 1 7.054 0.030 . 1 . . . . 29 PHE HD2 . 10252 1 219 . 1 1 29 29 PHE HE1 H 1 7.233 0.030 . 1 . . . . 29 PHE HE1 . 10252 1 220 . 1 1 29 29 PHE HE2 H 1 7.233 0.030 . 1 . . . . 29 PHE HE2 . 10252 1 221 . 1 1 29 29 PHE HZ H 1 7.053 0.030 . 1 . . . . 29 PHE HZ . 10252 1 222 . 1 1 29 29 PHE C C 13 177.478 0.300 . 1 . . . . 29 PHE C . 10252 1 223 . 1 1 29 29 PHE CA C 13 61.126 0.300 . 1 . . . . 29 PHE CA . 10252 1 224 . 1 1 29 29 PHE CB C 13 38.837 0.300 . 1 . . . . 29 PHE CB . 10252 1 225 . 1 1 29 29 PHE CD1 C 13 132.408 0.300 . 1 . . . . 29 PHE CD1 . 10252 1 226 . 1 1 29 29 PHE CD2 C 13 132.408 0.300 . 1 . . . . 29 PHE CD2 . 10252 1 227 . 1 1 29 29 PHE CE1 C 13 130.907 0.300 . 1 . . . . 29 PHE CE1 . 10252 1 228 . 1 1 29 29 PHE CE2 C 13 130.907 0.300 . 1 . . . . 29 PHE CE2 . 10252 1 229 . 1 1 29 29 PHE CZ C 13 129.902 0.300 . 1 . . . . 29 PHE CZ . 10252 1 230 . 1 1 29 29 PHE N N 15 123.986 0.300 . 1 . . . . 29 PHE N . 10252 1 231 . 1 1 30 30 ARG H H 1 8.044 0.030 . 1 . . . . 30 ARG H . 10252 1 232 . 1 1 30 30 ARG HA H 1 4.046 0.030 . 1 . . . . 30 ARG HA . 10252 1 233 . 1 1 30 30 ARG HB2 H 1 2.143 0.030 . 2 . . . . 30 ARG HB2 . 10252 1 234 . 1 1 30 30 ARG HB3 H 1 2.063 0.030 . 2 . . . . 30 ARG HB3 . 10252 1 235 . 1 1 30 30 ARG HD2 H 1 3.222 0.030 . 1 . . . . 30 ARG HD2 . 10252 1 236 . 1 1 30 30 ARG HD3 H 1 3.222 0.030 . 1 . . . . 30 ARG HD3 . 10252 1 237 . 1 1 30 30 ARG HG2 H 1 1.750 0.030 . 2 . . . . 30 ARG HG2 . 10252 1 238 . 1 1 30 30 ARG HG3 H 1 1.960 0.030 . 2 . . . . 30 ARG HG3 . 10252 1 239 . 1 1 30 30 ARG C C 13 179.156 0.300 . 1 . . . . 30 ARG C . 10252 1 240 . 1 1 30 30 ARG CA C 13 59.542 0.300 . 1 . . . . 30 ARG CA . 10252 1 241 . 1 1 30 30 ARG CB C 13 30.053 0.300 . 1 . . . . 30 ARG CB . 10252 1 242 . 1 1 30 30 ARG CD C 13 43.985 0.300 . 1 . . . . 30 ARG CD . 10252 1 243 . 1 1 30 30 ARG CG C 13 26.718 0.300 . 1 . . . . 30 ARG CG . 10252 1 244 . 1 1 30 30 ARG N N 15 119.141 0.300 . 1 . . . . 30 ARG N . 10252 1 245 . 1 1 31 31 ASP H H 1 7.712 0.030 . 1 . . . . 31 ASP H . 10252 1 246 . 1 1 31 31 ASP HA H 1 4.523 0.030 . 1 . . . . 31 ASP HA . 10252 1 247 . 1 1 31 31 ASP HB2 H 1 2.753 0.030 . 1 . . . . 31 ASP HB2 . 10252 1 248 . 1 1 31 31 ASP HB3 H 1 2.753 0.030 . 1 . . . . 31 ASP HB3 . 10252 1 249 . 1 1 31 31 ASP C C 13 177.850 0.300 . 1 . . . . 31 ASP C . 10252 1 250 . 1 1 31 31 ASP CA C 13 56.516 0.300 . 1 . . . . 31 ASP CA . 10252 1 251 . 1 1 31 31 ASP CB C 13 40.664 0.300 . 1 . . . . 31 ASP CB . 10252 1 252 . 1 1 31 31 ASP N N 15 118.527 0.300 . 1 . . . . 31 ASP N . 10252 1 253 . 1 1 32 32 THR H H 1 7.704 0.030 . 1 . . . . 32 THR H . 10252 1 254 . 1 1 32 32 THR HA H 1 3.953 0.030 . 1 . . . . 32 THR HA . 10252 1 255 . 1 1 32 32 THR HB H 1 3.263 0.030 . 1 . . . . 32 THR HB . 10252 1 256 . 1 1 32 32 THR HG21 H 1 0.891 0.030 . 1 . . . . 32 THR HG2 . 10252 1 257 . 1 1 32 32 THR HG22 H 1 0.891 0.030 . 1 . . . . 32 THR HG2 . 10252 1 258 . 1 1 32 32 THR HG23 H 1 0.891 0.030 . 1 . . . . 32 THR HG2 . 10252 1 259 . 1 1 32 32 THR C C 13 175.637 0.300 . 1 . . . . 32 THR C . 10252 1 260 . 1 1 32 32 THR CA C 13 65.030 0.300 . 1 . . . . 32 THR CA . 10252 1 261 . 1 1 32 32 THR CB C 13 69.195 0.300 . 1 . . . . 32 THR CB . 10252 1 262 . 1 1 32 32 THR CG2 C 13 22.278 0.300 . 1 . . . . 32 THR CG2 . 10252 1 263 . 1 1 32 32 THR N N 15 115.935 0.300 . 1 . . . . 32 THR N . 10252 1 264 . 1 1 33 33 GLN H H 1 8.361 0.030 . 1 . . . . 33 GLN H . 10252 1 265 . 1 1 33 33 GLN HA H 1 3.373 0.030 . 1 . . . . 33 GLN HA . 10252 1 266 . 1 1 33 33 GLN HB2 H 1 1.698 0.030 . 2 . . . . 33 GLN HB2 . 10252 1 267 . 1 1 33 33 GLN HB3 H 1 1.481 0.030 . 2 . . . . 33 GLN HB3 . 10252 1 268 . 1 1 33 33 GLN HE21 H 1 7.383 0.030 . 2 . . . . 33 GLN HE21 . 10252 1 269 . 1 1 33 33 GLN HE22 H 1 6.801 0.030 . 2 . . . . 33 GLN HE22 . 10252 1 270 . 1 1 33 33 GLN HG2 H 1 2.222 0.030 . 1 . . . . 33 GLN HG2 . 10252 1 271 . 1 1 33 33 GLN HG3 H 1 2.222 0.030 . 1 . . . . 33 GLN HG3 . 10252 1 272 . 1 1 33 33 GLN C C 13 176.526 0.300 . 1 . . . . 33 GLN C . 10252 1 273 . 1 1 33 33 GLN CA C 13 60.000 0.300 . 1 . . . . 33 GLN CA . 10252 1 274 . 1 1 33 33 GLN CB C 13 26.827 0.300 . 1 . . . . 33 GLN CB . 10252 1 275 . 1 1 33 33 GLN CG C 13 32.985 0.300 . 1 . . . . 33 GLN CG . 10252 1 276 . 1 1 33 33 GLN N N 15 120.539 0.300 . 1 . . . . 33 GLN N . 10252 1 277 . 1 1 33 33 GLN NE2 N 15 109.682 0.300 . 1 . . . . 33 GLN NE2 . 10252 1 278 . 1 1 34 34 ALA H H 1 8.053 0.030 . 1 . . . . 34 ALA H . 10252 1 279 . 1 1 34 34 ALA HA H 1 3.964 0.030 . 1 . . . . 34 ALA HA . 10252 1 280 . 1 1 34 34 ALA HB1 H 1 1.404 0.030 . 1 . . . . 34 ALA HB . 10252 1 281 . 1 1 34 34 ALA HB2 H 1 1.404 0.030 . 1 . . . . 34 ALA HB . 10252 1 282 . 1 1 34 34 ALA HB3 H 1 1.404 0.030 . 1 . . . . 34 ALA HB . 10252 1 283 . 1 1 34 34 ALA C C 13 180.762 0.300 . 1 . . . . 34 ALA C . 10252 1 284 . 1 1 34 34 ALA CA C 13 55.338 0.300 . 1 . . . . 34 ALA CA . 10252 1 285 . 1 1 34 34 ALA CB C 13 17.724 0.300 . 1 . . . . 34 ALA CB . 10252 1 286 . 1 1 34 34 ALA N N 15 120.505 0.300 . 1 . . . . 34 ALA N . 10252 1 287 . 1 1 35 35 ALA H H 1 7.763 0.030 . 1 . . . . 35 ALA H . 10252 1 288 . 1 1 35 35 ALA HA H 1 4.135 0.030 . 1 . . . . 35 ALA HA . 10252 1 289 . 1 1 35 35 ALA HB1 H 1 1.471 0.030 . 1 . . . . 35 ALA HB . 10252 1 290 . 1 1 35 35 ALA HB2 H 1 1.471 0.030 . 1 . . . . 35 ALA HB . 10252 1 291 . 1 1 35 35 ALA HB3 H 1 1.471 0.030 . 1 . . . . 35 ALA HB . 10252 1 292 . 1 1 35 35 ALA C C 13 180.801 0.300 . 1 . . . . 35 ALA C . 10252 1 293 . 1 1 35 35 ALA CA C 13 54.635 0.300 . 1 . . . . 35 ALA CA . 10252 1 294 . 1 1 35 35 ALA CB C 13 17.888 0.300 . 1 . . . . 35 ALA CB . 10252 1 295 . 1 1 35 35 ALA N N 15 122.109 0.300 . 1 . . . . 35 ALA N . 10252 1 296 . 1 1 36 36 ILE H H 1 7.673 0.030 . 1 . . . . 36 ILE H . 10252 1 297 . 1 1 36 36 ILE HA H 1 3.753 0.030 . 1 . . . . 36 ILE HA . 10252 1 298 . 1 1 36 36 ILE HB H 1 1.853 0.030 . 1 . . . . 36 ILE HB . 10252 1 299 . 1 1 36 36 ILE HD11 H 1 0.673 0.030 . 1 . . . . 36 ILE HD1 . 10252 1 300 . 1 1 36 36 ILE HD12 H 1 0.673 0.030 . 1 . . . . 36 ILE HD1 . 10252 1 301 . 1 1 36 36 ILE HD13 H 1 0.673 0.030 . 1 . . . . 36 ILE HD1 . 10252 1 302 . 1 1 36 36 ILE HG12 H 1 1.323 0.030 . 2 . . . . 36 ILE HG12 . 10252 1 303 . 1 1 36 36 ILE HG13 H 1 1.433 0.030 . 2 . . . . 36 ILE HG13 . 10252 1 304 . 1 1 36 36 ILE HG21 H 1 0.892 0.030 . 1 . . . . 36 ILE HG2 . 10252 1 305 . 1 1 36 36 ILE HG22 H 1 0.892 0.030 . 1 . . . . 36 ILE HG2 . 10252 1 306 . 1 1 36 36 ILE HG23 H 1 0.892 0.030 . 1 . . . . 36 ILE HG2 . 10252 1 307 . 1 1 36 36 ILE C C 13 179.213 0.300 . 1 . . . . 36 ILE C . 10252 1 308 . 1 1 36 36 ILE CA C 13 62.955 0.300 . 1 . . . . 36 ILE CA . 10252 1 309 . 1 1 36 36 ILE CB C 13 36.388 0.300 . 1 . . . . 36 ILE CB . 10252 1 310 . 1 1 36 36 ILE CD1 C 13 11.888 0.300 . 1 . . . . 36 ILE CD1 . 10252 1 311 . 1 1 36 36 ILE CG1 C 13 27.813 0.300 . 1 . . . . 36 ILE CG1 . 10252 1 312 . 1 1 36 36 ILE CG2 C 13 18.640 0.300 . 1 . . . . 36 ILE CG2 . 10252 1 313 . 1 1 36 36 ILE N N 15 118.252 0.300 . 1 . . . . 36 ILE N . 10252 1 314 . 1 1 37 37 LYS H H 1 8.444 0.030 . 1 . . . . 37 LYS H . 10252 1 315 . 1 1 37 37 LYS HA H 1 3.982 0.030 . 1 . . . . 37 LYS HA . 10252 1 316 . 1 1 37 37 LYS HB2 H 1 1.873 0.030 . 2 . . . . 37 LYS HB2 . 10252 1 317 . 1 1 37 37 LYS HB3 H 1 1.813 0.030 . 2 . . . . 37 LYS HB3 . 10252 1 318 . 1 1 37 37 LYS HD2 H 1 1.642 0.030 . 2 . . . . 37 LYS HD2 . 10252 1 319 . 1 1 37 37 LYS HD3 H 1 1.793 0.030 . 2 . . . . 37 LYS HD3 . 10252 1 320 . 1 1 37 37 LYS HE2 H 1 3.023 0.030 . 1 . . . . 37 LYS HE2 . 10252 1 321 . 1 1 37 37 LYS HE3 H 1 3.023 0.030 . 1 . . . . 37 LYS HE3 . 10252 1 322 . 1 1 37 37 LYS HG2 H 1 1.553 0.030 . 2 . . . . 37 LYS HG2 . 10252 1 323 . 1 1 37 37 LYS HG3 H 1 1.483 0.030 . 2 . . . . 37 LYS HG3 . 10252 1 324 . 1 1 37 37 LYS C C 13 178.872 0.300 . 1 . . . . 37 LYS C . 10252 1 325 . 1 1 37 37 LYS CA C 13 58.715 0.300 . 1 . . . . 37 LYS CA . 10252 1 326 . 1 1 37 37 LYS CB C 13 31.802 0.300 . 1 . . . . 37 LYS CB . 10252 1 327 . 1 1 37 37 LYS CD C 13 28.856 0.300 . 1 . . . . 37 LYS CD . 10252 1 328 . 1 1 37 37 LYS CE C 13 42.012 0.300 . 1 . . . . 37 LYS CE . 10252 1 329 . 1 1 37 37 LYS CG C 13 25.113 0.300 . 1 . . . . 37 LYS CG . 10252 1 330 . 1 1 37 37 LYS N N 15 121.415 0.300 . 1 . . . . 37 LYS N . 10252 1 331 . 1 1 38 38 GLY H H 1 7.873 0.030 . 1 . . . . 38 GLY H . 10252 1 332 . 1 1 38 38 GLY HA2 H 1 3.849 0.030 . 1 . . . . 38 GLY HA2 . 10252 1 333 . 1 1 38 38 GLY HA3 H 1 3.849 0.030 . 1 . . . . 38 GLY HA3 . 10252 1 334 . 1 1 38 38 GLY C C 13 175.341 0.300 . 1 . . . . 38 GLY C . 10252 1 335 . 1 1 38 38 GLY CA C 13 46.490 0.300 . 1 . . . . 38 GLY CA . 10252 1 336 . 1 1 38 38 GLY N N 15 104.723 0.300 . 1 . . . . 38 GLY N . 10252 1 337 . 1 1 39 39 GLN H H 1 7.288 0.030 . 1 . . . . 39 GLN H . 10252 1 338 . 1 1 39 39 GLN HA H 1 4.313 0.030 . 1 . . . . 39 GLN HA . 10252 1 339 . 1 1 39 39 GLN HB2 H 1 2.200 0.030 . 2 . . . . 39 GLN HB2 . 10252 1 340 . 1 1 39 39 GLN HB3 H 1 2.033 0.030 . 2 . . . . 39 GLN HB3 . 10252 1 341 . 1 1 39 39 GLN HE21 H 1 7.414 0.030 . 2 . . . . 39 GLN HE21 . 10252 1 342 . 1 1 39 39 GLN HE22 H 1 6.782 0.030 . 2 . . . . 39 GLN HE22 . 10252 1 343 . 1 1 39 39 GLN HG2 H 1 2.513 0.030 . 2 . . . . 39 GLN HG2 . 10252 1 344 . 1 1 39 39 GLN HG3 H 1 2.453 0.030 . 2 . . . . 39 GLN HG3 . 10252 1 345 . 1 1 39 39 GLN C C 13 175.814 0.300 . 1 . . . . 39 GLN C . 10252 1 346 . 1 1 39 39 GLN CA C 13 56.482 0.300 . 1 . . . . 39 GLN CA . 10252 1 347 . 1 1 39 39 GLN CB C 13 30.074 0.300 . 1 . . . . 39 GLN CB . 10252 1 348 . 1 1 39 39 GLN CG C 13 34.036 0.300 . 1 . . . . 39 GLN CG . 10252 1 349 . 1 1 39 39 GLN N N 15 117.295 0.300 . 1 . . . . 39 GLN N . 10252 1 350 . 1 1 39 39 GLN NE2 N 15 111.199 0.300 . 1 . . . . 39 GLN NE2 . 10252 1 351 . 1 1 40 40 ASN H H 1 7.780 0.030 . 1 . . . . 40 ASN H . 10252 1 352 . 1 1 40 40 ASN HA H 1 5.159 0.030 . 1 . . . . 40 ASN HA . 10252 1 353 . 1 1 40 40 ASN HB2 H 1 2.658 0.030 . 1 . . . . 40 ASN HB2 . 10252 1 354 . 1 1 40 40 ASN HB3 H 1 2.658 0.030 . 1 . . . . 40 ASN HB3 . 10252 1 355 . 1 1 40 40 ASN HD21 H 1 7.349 0.030 . 2 . . . . 40 ASN HD21 . 10252 1 356 . 1 1 40 40 ASN HD22 H 1 7.617 0.030 . 2 . . . . 40 ASN HD22 . 10252 1 357 . 1 1 40 40 ASN C C 13 172.428 0.300 . 1 . . . . 40 ASN C . 10252 1 358 . 1 1 40 40 ASN CA C 13 50.877 0.300 . 1 . . . . 40 ASN CA . 10252 1 359 . 1 1 40 40 ASN CB C 13 39.595 0.300 . 1 . . . . 40 ASN CB . 10252 1 360 . 1 1 40 40 ASN N N 15 115.989 0.300 . 1 . . . . 40 ASN N . 10252 1 361 . 1 1 40 40 ASN ND2 N 15 114.426 0.300 . 1 . . . . 40 ASN ND2 . 10252 1 362 . 1 1 41 41 PRO HA H 1 4.523 0.030 . 1 . . . . 41 PRO HA . 10252 1 363 . 1 1 41 41 PRO HB2 H 1 1.963 0.030 . 2 . . . . 41 PRO HB2 . 10252 1 364 . 1 1 41 41 PRO HB3 H 1 2.403 0.030 . 2 . . . . 41 PRO HB3 . 10252 1 365 . 1 1 41 41 PRO HD2 H 1 3.733 0.030 . 2 . . . . 41 PRO HD2 . 10252 1 366 . 1 1 41 41 PRO HD3 H 1 3.403 0.030 . 2 . . . . 41 PRO HD3 . 10252 1 367 . 1 1 41 41 PRO HG2 H 1 1.943 0.030 . 2 . . . . 41 PRO HG2 . 10252 1 368 . 1 1 41 41 PRO HG3 H 1 2.054 0.030 . 2 . . . . 41 PRO HG3 . 10252 1 369 . 1 1 41 41 PRO C C 13 177.550 0.300 . 1 . . . . 41 PRO C . 10252 1 370 . 1 1 41 41 PRO CA C 13 64.837 0.300 . 1 . . . . 41 PRO CA . 10252 1 371 . 1 1 41 41 PRO CB C 13 32.073 0.300 . 1 . . . . 41 PRO CB . 10252 1 372 . 1 1 41 41 PRO CD C 13 50.419 0.300 . 1 . . . . 41 PRO CD . 10252 1 373 . 1 1 41 41 PRO CG C 13 27.205 0.300 . 1 . . . . 41 PRO CG . 10252 1 374 . 1 1 42 42 ASN H H 1 8.363 0.030 . 1 . . . . 42 ASN H . 10252 1 375 . 1 1 42 42 ASN HA H 1 4.853 0.030 . 1 . . . . 42 ASN HA . 10252 1 376 . 1 1 42 42 ASN HB2 H 1 2.983 0.030 . 2 . . . . 42 ASN HB2 . 10252 1 377 . 1 1 42 42 ASN HB3 H 1 2.733 0.030 . 2 . . . . 42 ASN HB3 . 10252 1 378 . 1 1 42 42 ASN HD21 H 1 6.998 0.030 . 2 . . . . 42 ASN HD21 . 10252 1 379 . 1 1 42 42 ASN HD22 H 1 7.647 0.030 . 2 . . . . 42 ASN HD22 . 10252 1 380 . 1 1 42 42 ASN C C 13 175.387 0.300 . 1 . . . . 42 ASN C . 10252 1 381 . 1 1 42 42 ASN CA C 13 52.753 0.300 . 1 . . . . 42 ASN CA . 10252 1 382 . 1 1 42 42 ASN CB C 13 38.879 0.300 . 1 . . . . 42 ASN CB . 10252 1 383 . 1 1 42 42 ASN N N 15 114.677 0.300 . 1 . . . . 42 ASN N . 10252 1 384 . 1 1 42 42 ASN ND2 N 15 113.774 0.300 . 1 . . . . 42 ASN ND2 . 10252 1 385 . 1 1 43 43 ALA H H 1 7.533 0.030 . 1 . . . . 43 ALA H . 10252 1 386 . 1 1 43 43 ALA HA H 1 4.443 0.030 . 1 . . . . 43 ALA HA . 10252 1 387 . 1 1 43 43 ALA HB1 H 1 1.381 0.030 . 1 . . . . 43 ALA HB . 10252 1 388 . 1 1 43 43 ALA HB2 H 1 1.381 0.030 . 1 . . . . 43 ALA HB . 10252 1 389 . 1 1 43 43 ALA HB3 H 1 1.381 0.030 . 1 . . . . 43 ALA HB . 10252 1 390 . 1 1 43 43 ALA C C 13 178.490 0.300 . 1 . . . . 43 ALA C . 10252 1 391 . 1 1 43 43 ALA CA C 13 52.647 0.300 . 1 . . . . 43 ALA CA . 10252 1 392 . 1 1 43 43 ALA CB C 13 19.314 0.300 . 1 . . . . 43 ALA CB . 10252 1 393 . 1 1 43 43 ALA N N 15 124.307 0.300 . 1 . . . . 43 ALA N . 10252 1 394 . 1 1 44 44 THR H H 1 8.698 0.030 . 1 . . . . 44 THR H . 10252 1 395 . 1 1 44 44 THR HA H 1 4.482 0.030 . 1 . . . . 44 THR HA . 10252 1 396 . 1 1 44 44 THR HB H 1 4.780 0.030 . 1 . . . . 44 THR HB . 10252 1 397 . 1 1 44 44 THR HG21 H 1 1.433 0.030 . 1 . . . . 44 THR HG2 . 10252 1 398 . 1 1 44 44 THR HG22 H 1 1.433 0.030 . 1 . . . . 44 THR HG2 . 10252 1 399 . 1 1 44 44 THR HG23 H 1 1.433 0.030 . 1 . . . . 44 THR HG2 . 10252 1 400 . 1 1 44 44 THR C C 13 175.408 0.300 . 1 . . . . 44 THR C . 10252 1 401 . 1 1 44 44 THR CA C 13 60.791 0.300 . 1 . . . . 44 THR CA . 10252 1 402 . 1 1 44 44 THR CB C 13 71.516 0.300 . 1 . . . . 44 THR CB . 10252 1 403 . 1 1 44 44 THR CG2 C 13 21.988 0.300 . 1 . . . . 44 THR CG2 . 10252 1 404 . 1 1 44 44 THR N N 15 114.309 0.300 . 1 . . . . 44 THR N . 10252 1 405 . 1 1 45 45 PHE HA H 1 4.303 0.030 . 1 . . . . 45 PHE HA . 10252 1 406 . 1 1 45 45 PHE HB2 H 1 3.054 0.030 . 2 . . . . 45 PHE HB2 . 10252 1 407 . 1 1 45 45 PHE HB3 H 1 3.391 0.030 . 2 . . . . 45 PHE HB3 . 10252 1 408 . 1 1 45 45 PHE HD1 H 1 7.333 0.030 . 1 . . . . 45 PHE HD1 . 10252 1 409 . 1 1 45 45 PHE HD2 H 1 7.333 0.030 . 1 . . . . 45 PHE HD2 . 10252 1 410 . 1 1 45 45 PHE CA C 13 61.982 0.300 . 1 . . . . 45 PHE CA . 10252 1 411 . 1 1 45 45 PHE CB C 13 38.942 0.300 . 1 . . . . 45 PHE CB . 10252 1 412 . 1 1 45 45 PHE CD1 C 13 131.668 0.300 . 1 . . . . 45 PHE CD1 . 10252 1 413 . 1 1 45 45 PHE CD2 C 13 131.668 0.300 . 1 . . . . 45 PHE CD2 . 10252 1 414 . 1 1 46 46 GLY HA2 H 1 3.962 0.030 . 2 . . . . 46 GLY HA2 . 10252 1 415 . 1 1 46 46 GLY HA3 H 1 3.745 0.030 . 2 . . . . 46 GLY HA3 . 10252 1 416 . 1 1 46 46 GLY C C 13 176.621 0.300 . 1 . . . . 46 GLY C . 10252 1 417 . 1 1 46 46 GLY CA C 13 46.930 0.300 . 1 . . . . 46 GLY CA . 10252 1 418 . 1 1 47 47 GLU H H 1 7.692 0.030 . 1 . . . . 47 GLU H . 10252 1 419 . 1 1 47 47 GLU HA H 1 4.053 0.030 . 1 . . . . 47 GLU HA . 10252 1 420 . 1 1 47 47 GLU HB2 H 1 2.331 0.030 . 2 . . . . 47 GLU HB2 . 10252 1 421 . 1 1 47 47 GLU HB3 H 1 2.003 0.030 . 2 . . . . 47 GLU HB3 . 10252 1 422 . 1 1 47 47 GLU HG2 H 1 2.343 0.030 . 2 . . . . 47 GLU HG2 . 10252 1 423 . 1 1 47 47 GLU HG3 H 1 2.293 0.030 . 2 . . . . 47 GLU HG3 . 10252 1 424 . 1 1 47 47 GLU C C 13 179.472 0.300 . 1 . . . . 47 GLU C . 10252 1 425 . 1 1 47 47 GLU CA C 13 59.296 0.300 . 1 . . . . 47 GLU CA . 10252 1 426 . 1 1 47 47 GLU CB C 13 29.769 0.300 . 1 . . . . 47 GLU CB . 10252 1 427 . 1 1 47 47 GLU CG C 13 37.078 0.300 . 1 . . . . 47 GLU CG . 10252 1 428 . 1 1 47 47 GLU N N 15 123.040 0.300 . 1 . . . . 47 GLU N . 10252 1 429 . 1 1 48 48 VAL H H 1 8.504 0.030 . 1 . . . . 48 VAL H . 10252 1 430 . 1 1 48 48 VAL HA H 1 3.413 0.030 . 1 . . . . 48 VAL HA . 10252 1 431 . 1 1 48 48 VAL HB H 1 2.144 0.030 . 1 . . . . 48 VAL HB . 10252 1 432 . 1 1 48 48 VAL HG11 H 1 0.748 0.030 . 1 . . . . 48 VAL HG1 . 10252 1 433 . 1 1 48 48 VAL HG12 H 1 0.748 0.030 . 1 . . . . 48 VAL HG1 . 10252 1 434 . 1 1 48 48 VAL HG13 H 1 0.748 0.030 . 1 . . . . 48 VAL HG1 . 10252 1 435 . 1 1 48 48 VAL HG21 H 1 0.963 0.030 . 1 . . . . 48 VAL HG2 . 10252 1 436 . 1 1 48 48 VAL HG22 H 1 0.963 0.030 . 1 . . . . 48 VAL HG2 . 10252 1 437 . 1 1 48 48 VAL HG23 H 1 0.963 0.030 . 1 . . . . 48 VAL HG2 . 10252 1 438 . 1 1 48 48 VAL C C 13 177.640 0.300 . 1 . . . . 48 VAL C . 10252 1 439 . 1 1 48 48 VAL CA C 13 67.159 0.300 . 1 . . . . 48 VAL CA . 10252 1 440 . 1 1 48 48 VAL CB C 13 31.820 0.300 . 1 . . . . 48 VAL CB . 10252 1 441 . 1 1 48 48 VAL CG1 C 13 21.274 0.300 . 2 . . . . 48 VAL CG1 . 10252 1 442 . 1 1 48 48 VAL CG2 C 13 23.629 0.300 . 2 . . . . 48 VAL CG2 . 10252 1 443 . 1 1 48 48 VAL N N 15 120.194 0.300 . 1 . . . . 48 VAL N . 10252 1 444 . 1 1 49 49 SER H H 1 8.442 0.030 . 1 . . . . 49 SER H . 10252 1 445 . 1 1 49 49 SER HA H 1 4.093 0.030 . 1 . . . . 49 SER HA . 10252 1 446 . 1 1 49 49 SER HB2 H 1 3.873 0.030 . 2 . . . . 49 SER HB2 . 10252 1 447 . 1 1 49 49 SER HB3 H 1 3.803 0.030 . 2 . . . . 49 SER HB3 . 10252 1 448 . 1 1 49 49 SER C C 13 176.016 0.300 . 1 . . . . 49 SER C . 10252 1 449 . 1 1 49 49 SER CA C 13 62.500 0.300 . 1 . . . . 49 SER CA . 10252 1 450 . 1 1 49 49 SER CB C 13 62.653 0.300 . 1 . . . . 49 SER CB . 10252 1 451 . 1 1 49 49 SER N N 15 113.484 0.300 . 1 . . . . 49 SER N . 10252 1 452 . 1 1 50 50 LYS H H 1 7.474 0.030 . 1 . . . . 50 LYS H . 10252 1 453 . 1 1 50 50 LYS HA H 1 4.132 0.030 . 1 . . . . 50 LYS HA . 10252 1 454 . 1 1 50 50 LYS HB2 H 1 1.960 0.030 . 1 . . . . 50 LYS HB2 . 10252 1 455 . 1 1 50 50 LYS HB3 H 1 1.960 0.030 . 1 . . . . 50 LYS HB3 . 10252 1 456 . 1 1 50 50 LYS HD2 H 1 1.717 0.030 . 1 . . . . 50 LYS HD2 . 10252 1 457 . 1 1 50 50 LYS HD3 H 1 1.717 0.030 . 1 . . . . 50 LYS HD3 . 10252 1 458 . 1 1 50 50 LYS HE2 H 1 3.114 0.030 . 2 . . . . 50 LYS HE2 . 10252 1 459 . 1 1 50 50 LYS HE3 H 1 2.954 0.030 . 2 . . . . 50 LYS HE3 . 10252 1 460 . 1 1 50 50 LYS HG2 H 1 1.474 0.030 . 2 . . . . 50 LYS HG2 . 10252 1 461 . 1 1 50 50 LYS HG3 H 1 1.622 0.030 . 2 . . . . 50 LYS HG3 . 10252 1 462 . 1 1 50 50 LYS C C 13 179.463 0.300 . 1 . . . . 50 LYS C . 10252 1 463 . 1 1 50 50 LYS CA C 13 59.525 0.300 . 1 . . . . 50 LYS CA . 10252 1 464 . 1 1 50 50 LYS CB C 13 32.606 0.300 . 1 . . . . 50 LYS CB . 10252 1 465 . 1 1 50 50 LYS CD C 13 29.267 0.300 . 1 . . . . 50 LYS CD . 10252 1 466 . 1 1 50 50 LYS CE C 13 42.258 0.300 . 1 . . . . 50 LYS CE . 10252 1 467 . 1 1 50 50 LYS CG C 13 25.113 0.300 . 1 . . . . 50 LYS CG . 10252 1 468 . 1 1 50 50 LYS N N 15 120.865 0.300 . 1 . . . . 50 LYS N . 10252 1 469 . 1 1 51 51 ILE H H 1 7.853 0.030 . 1 . . . . 51 ILE H . 10252 1 470 . 1 1 51 51 ILE HA H 1 3.793 0.030 . 1 . . . . 51 ILE HA . 10252 1 471 . 1 1 51 51 ILE HB H 1 1.913 0.030 . 1 . . . . 51 ILE HB . 10252 1 472 . 1 1 51 51 ILE HD11 H 1 0.793 0.030 . 1 . . . . 51 ILE HD1 . 10252 1 473 . 1 1 51 51 ILE HD12 H 1 0.793 0.030 . 1 . . . . 51 ILE HD1 . 10252 1 474 . 1 1 51 51 ILE HD13 H 1 0.793 0.030 . 1 . . . . 51 ILE HD1 . 10252 1 475 . 1 1 51 51 ILE HG12 H 1 1.051 0.030 . 2 . . . . 51 ILE HG12 . 10252 1 476 . 1 1 51 51 ILE HG13 H 1 1.843 0.030 . 2 . . . . 51 ILE HG13 . 10252 1 477 . 1 1 51 51 ILE HG21 H 1 0.943 0.030 . 1 . . . . 51 ILE HG2 . 10252 1 478 . 1 1 51 51 ILE HG22 H 1 0.943 0.030 . 1 . . . . 51 ILE HG2 . 10252 1 479 . 1 1 51 51 ILE HG23 H 1 0.943 0.030 . 1 . . . . 51 ILE HG2 . 10252 1 480 . 1 1 51 51 ILE C C 13 179.105 0.300 . 1 . . . . 51 ILE C . 10252 1 481 . 1 1 51 51 ILE CA C 13 65.488 0.300 . 1 . . . . 51 ILE CA . 10252 1 482 . 1 1 51 51 ILE CB C 13 38.603 0.300 . 1 . . . . 51 ILE CB . 10252 1 483 . 1 1 51 51 ILE CD1 C 13 13.340 0.300 . 1 . . . . 51 ILE CD1 . 10252 1 484 . 1 1 51 51 ILE CG1 C 13 28.943 0.300 . 1 . . . . 51 ILE CG1 . 10252 1 485 . 1 1 51 51 ILE CG2 C 13 17.929 0.300 . 1 . . . . 51 ILE CG2 . 10252 1 486 . 1 1 51 51 ILE N N 15 121.720 0.300 . 1 . . . . 51 ILE N . 10252 1 487 . 1 1 52 52 VAL H H 1 8.703 0.030 . 1 . . . . 52 VAL H . 10252 1 488 . 1 1 52 52 VAL HA H 1 3.659 0.030 . 1 . . . . 52 VAL HA . 10252 1 489 . 1 1 52 52 VAL HB H 1 2.103 0.030 . 1 . . . . 52 VAL HB . 10252 1 490 . 1 1 52 52 VAL HG11 H 1 0.958 0.030 . 1 . . . . 52 VAL HG1 . 10252 1 491 . 1 1 52 52 VAL HG12 H 1 0.958 0.030 . 1 . . . . 52 VAL HG1 . 10252 1 492 . 1 1 52 52 VAL HG13 H 1 0.958 0.030 . 1 . . . . 52 VAL HG1 . 10252 1 493 . 1 1 52 52 VAL HG21 H 1 0.523 0.030 . 1 . . . . 52 VAL HG2 . 10252 1 494 . 1 1 52 52 VAL HG22 H 1 0.523 0.030 . 1 . . . . 52 VAL HG2 . 10252 1 495 . 1 1 52 52 VAL HG23 H 1 0.523 0.030 . 1 . . . . 52 VAL HG2 . 10252 1 496 . 1 1 52 52 VAL C C 13 178.262 0.300 . 1 . . . . 52 VAL C . 10252 1 497 . 1 1 52 52 VAL CA C 13 67.388 0.300 . 1 . . . . 52 VAL CA . 10252 1 498 . 1 1 52 52 VAL CB C 13 31.185 0.300 . 1 . . . . 52 VAL CB . 10252 1 499 . 1 1 52 52 VAL CG1 C 13 23.511 0.300 . 2 . . . . 52 VAL CG1 . 10252 1 500 . 1 1 52 52 VAL CG2 C 13 22.671 0.300 . 2 . . . . 52 VAL CG2 . 10252 1 501 . 1 1 52 52 VAL N N 15 121.006 0.300 . 1 . . . . 52 VAL N . 10252 1 502 . 1 1 53 53 ALA H H 1 8.343 0.030 . 1 . . . . 53 ALA H . 10252 1 503 . 1 1 53 53 ALA HA H 1 4.412 0.030 . 1 . . . . 53 ALA HA . 10252 1 504 . 1 1 53 53 ALA HB1 H 1 1.564 0.030 . 1 . . . . 53 ALA HB . 10252 1 505 . 1 1 53 53 ALA HB2 H 1 1.564 0.030 . 1 . . . . 53 ALA HB . 10252 1 506 . 1 1 53 53 ALA HB3 H 1 1.564 0.030 . 1 . . . . 53 ALA HB . 10252 1 507 . 1 1 53 53 ALA C C 13 180.884 0.300 . 1 . . . . 53 ALA C . 10252 1 508 . 1 1 53 53 ALA CA C 13 56.271 0.300 . 1 . . . . 53 ALA CA . 10252 1 509 . 1 1 53 53 ALA CB C 13 17.888 0.300 . 1 . . . . 53 ALA CB . 10252 1 510 . 1 1 53 53 ALA N N 15 122.645 0.300 . 1 . . . . 53 ALA N . 10252 1 511 . 1 1 54 54 SER H H 1 7.905 0.030 . 1 . . . . 54 SER H . 10252 1 512 . 1 1 54 54 SER HA H 1 4.415 0.030 . 1 . . . . 54 SER HA . 10252 1 513 . 1 1 54 54 SER HB2 H 1 4.105 0.030 . 1 . . . . 54 SER HB2 . 10252 1 514 . 1 1 54 54 SER HB3 H 1 4.105 0.030 . 1 . . . . 54 SER HB3 . 10252 1 515 . 1 1 54 54 SER C C 13 177.818 0.300 . 1 . . . . 54 SER C . 10252 1 516 . 1 1 54 54 SER CA C 13 61.635 0.300 . 1 . . . . 54 SER CA . 10252 1 517 . 1 1 54 54 SER CB C 13 62.947 0.300 . 1 . . . . 54 SER CB . 10252 1 518 . 1 1 54 54 SER N N 15 114.062 0.300 . 1 . . . . 54 SER N . 10252 1 519 . 1 1 55 55 MET H H 1 8.553 0.030 . 1 . . . . 55 MET H . 10252 1 520 . 1 1 55 55 MET HA H 1 4.194 0.030 . 1 . . . . 55 MET HA . 10252 1 521 . 1 1 55 55 MET HB2 H 1 2.533 0.030 . 2 . . . . 55 MET HB2 . 10252 1 522 . 1 1 55 55 MET HB3 H 1 2.663 0.030 . 2 . . . . 55 MET HB3 . 10252 1 523 . 1 1 55 55 MET HE1 H 1 2.152 0.030 . 1 . . . . 55 MET HE . 10252 1 524 . 1 1 55 55 MET HE2 H 1 2.152 0.030 . 1 . . . . 55 MET HE . 10252 1 525 . 1 1 55 55 MET HE3 H 1 2.152 0.030 . 1 . . . . 55 MET HE . 10252 1 526 . 1 1 55 55 MET HG2 H 1 2.636 0.030 . 2 . . . . 55 MET HG2 . 10252 1 527 . 1 1 55 55 MET HG3 H 1 2.954 0.030 . 2 . . . . 55 MET HG3 . 10252 1 528 . 1 1 55 55 MET C C 13 179.156 0.300 . 1 . . . . 55 MET C . 10252 1 529 . 1 1 55 55 MET CA C 13 59.190 0.300 . 1 . . . . 55 MET CA . 10252 1 530 . 1 1 55 55 MET CB C 13 33.551 0.300 . 1 . . . . 55 MET CB . 10252 1 531 . 1 1 55 55 MET CE C 13 16.725 0.300 . 1 . . . . 55 MET CE . 10252 1 532 . 1 1 55 55 MET CG C 13 32.227 0.300 . 1 . . . . 55 MET CG . 10252 1 533 . 1 1 55 55 MET N N 15 123.394 0.300 . 1 . . . . 55 MET N . 10252 1 534 . 1 1 56 56 TRP H H 1 8.864 0.030 . 1 . . . . 56 TRP H . 10252 1 535 . 1 1 56 56 TRP HA H 1 3.899 0.030 . 1 . . . . 56 TRP HA . 10252 1 536 . 1 1 56 56 TRP HB2 H 1 3.423 0.030 . 2 . . . . 56 TRP HB2 . 10252 1 537 . 1 1 56 56 TRP HB3 H 1 3.523 0.030 . 2 . . . . 56 TRP HB3 . 10252 1 538 . 1 1 56 56 TRP HD1 H 1 7.243 0.030 . 1 . . . . 56 TRP HD1 . 10252 1 539 . 1 1 56 56 TRP HE1 H 1 10.093 0.030 . 1 . . . . 56 TRP HE1 . 10252 1 540 . 1 1 56 56 TRP HE3 H 1 6.000 0.030 . 1 . . . . 56 TRP HE3 . 10252 1 541 . 1 1 56 56 TRP HH2 H 1 6.973 0.030 . 1 . . . . 56 TRP HH2 . 10252 1 542 . 1 1 56 56 TRP HZ2 H 1 7.473 0.030 . 1 . . . . 56 TRP HZ2 . 10252 1 543 . 1 1 56 56 TRP HZ3 H 1 6.350 0.030 . 1 . . . . 56 TRP HZ3 . 10252 1 544 . 1 1 56 56 TRP C C 13 178.213 0.300 . 1 . . . . 56 TRP C . 10252 1 545 . 1 1 56 56 TRP CA C 13 59.806 0.300 . 1 . . . . 56 TRP CA . 10252 1 546 . 1 1 56 56 TRP CB C 13 30.281 0.300 . 1 . . . . 56 TRP CB . 10252 1 547 . 1 1 56 56 TRP CD1 C 13 128.327 0.300 . 1 . . . . 56 TRP CD1 . 10252 1 548 . 1 1 56 56 TRP CE3 C 13 121.561 0.300 . 1 . . . . 56 TRP CE3 . 10252 1 549 . 1 1 56 56 TRP CH2 C 13 123.491 0.300 . 1 . . . . 56 TRP CH2 . 10252 1 550 . 1 1 56 56 TRP CZ2 C 13 113.480 0.300 . 1 . . . . 56 TRP CZ2 . 10252 1 551 . 1 1 56 56 TRP CZ3 C 13 121.561 0.300 . 1 . . . . 56 TRP CZ3 . 10252 1 552 . 1 1 56 56 TRP N N 15 121.428 0.300 . 1 . . . . 56 TRP N . 10252 1 553 . 1 1 56 56 TRP NE1 N 15 128.558 0.300 . 1 . . . . 56 TRP NE1 . 10252 1 554 . 1 1 57 57 ASP H H 1 8.061 0.030 . 1 . . . . 57 ASP H . 10252 1 555 . 1 1 57 57 ASP HA H 1 4.253 0.030 . 1 . . . . 57 ASP HA . 10252 1 556 . 1 1 57 57 ASP HB2 H 1 2.713 0.030 . 2 . . . . 57 ASP HB2 . 10252 1 557 . 1 1 57 57 ASP HB3 H 1 2.813 0.030 . 2 . . . . 57 ASP HB3 . 10252 1 558 . 1 1 57 57 ASP C C 13 178.103 0.300 . 1 . . . . 57 ASP C . 10252 1 559 . 1 1 57 57 ASP CA C 13 57.186 0.300 . 1 . . . . 57 ASP CA . 10252 1 560 . 1 1 57 57 ASP CB C 13 40.705 0.300 . 1 . . . . 57 ASP CB . 10252 1 561 . 1 1 57 57 ASP N N 15 117.661 0.300 . 1 . . . . 57 ASP N . 10252 1 562 . 1 1 58 58 GLY H H 1 7.481 0.030 . 1 . . . . 58 GLY H . 10252 1 563 . 1 1 58 58 GLY HA2 H 1 4.202 0.030 . 2 . . . . 58 GLY HA2 . 10252 1 564 . 1 1 58 58 GLY HA3 H 1 3.672 0.030 . 2 . . . . 58 GLY HA3 . 10252 1 565 . 1 1 58 58 GLY C C 13 174.062 0.300 . 1 . . . . 58 GLY C . 10252 1 566 . 1 1 58 58 GLY CA C 13 44.872 0.300 . 1 . . . . 58 GLY CA . 10252 1 567 . 1 1 58 58 GLY N N 15 103.794 0.300 . 1 . . . . 58 GLY N . 10252 1 568 . 1 1 59 59 LEU H H 1 7.153 0.030 . 1 . . . . 59 LEU H . 10252 1 569 . 1 1 59 59 LEU HA H 1 4.123 0.030 . 1 . . . . 59 LEU HA . 10252 1 570 . 1 1 59 59 LEU HB2 H 1 1.493 0.030 . 2 . . . . 59 LEU HB2 . 10252 1 571 . 1 1 59 59 LEU HB3 H 1 1.273 0.030 . 2 . . . . 59 LEU HB3 . 10252 1 572 . 1 1 59 59 LEU HD11 H 1 0.712 0.030 . 1 . . . . 59 LEU HD1 . 10252 1 573 . 1 1 59 59 LEU HD12 H 1 0.712 0.030 . 1 . . . . 59 LEU HD1 . 10252 1 574 . 1 1 59 59 LEU HD13 H 1 0.712 0.030 . 1 . . . . 59 LEU HD1 . 10252 1 575 . 1 1 59 59 LEU HD21 H 1 0.693 0.030 . 1 . . . . 59 LEU HD2 . 10252 1 576 . 1 1 59 59 LEU HD22 H 1 0.693 0.030 . 1 . . . . 59 LEU HD2 . 10252 1 577 . 1 1 59 59 LEU HD23 H 1 0.693 0.030 . 1 . . . . 59 LEU HD2 . 10252 1 578 . 1 1 59 59 LEU HG H 1 1.895 0.030 . 1 . . . . 59 LEU HG . 10252 1 579 . 1 1 59 59 LEU C C 13 177.880 0.300 . 1 . . . . 59 LEU C . 10252 1 580 . 1 1 59 59 LEU CA C 13 55.114 0.300 . 1 . . . . 59 LEU CA . 10252 1 581 . 1 1 59 59 LEU CB C 13 43.149 0.300 . 1 . . . . 59 LEU CB . 10252 1 582 . 1 1 59 59 LEU CD1 C 13 24.744 0.300 . 2 . . . . 59 LEU CD1 . 10252 1 583 . 1 1 59 59 LEU CD2 C 13 24.218 0.300 . 2 . . . . 59 LEU CD2 . 10252 1 584 . 1 1 59 59 LEU CG C 13 26.243 0.300 . 1 . . . . 59 LEU CG . 10252 1 585 . 1 1 59 59 LEU N N 15 123.874 0.300 . 1 . . . . 59 LEU N . 10252 1 586 . 1 1 60 60 GLY H H 1 8.523 0.030 . 1 . . . . 60 GLY H . 10252 1 587 . 1 1 60 60 GLY HA2 H 1 4.091 0.030 . 2 . . . . 60 GLY HA2 . 10252 1 588 . 1 1 60 60 GLY HA3 H 1 3.993 0.030 . 2 . . . . 60 GLY HA3 . 10252 1 589 . 1 1 60 60 GLY C C 13 174.634 0.300 . 1 . . . . 60 GLY C . 10252 1 590 . 1 1 60 60 GLY CA C 13 44.995 0.300 . 1 . . . . 60 GLY CA . 10252 1 591 . 1 1 60 60 GLY N N 15 110.475 0.300 . 1 . . . . 60 GLY N . 10252 1 592 . 1 1 61 61 GLU H H 1 8.743 0.030 . 1 . . . . 61 GLU H . 10252 1 593 . 1 1 61 61 GLU HA H 1 3.873 0.030 . 1 . . . . 61 GLU HA . 10252 1 594 . 1 1 61 61 GLU HB2 H 1 2.064 0.030 . 2 . . . . 61 GLU HB2 . 10252 1 595 . 1 1 61 61 GLU HB3 H 1 1.973 0.030 . 2 . . . . 61 GLU HB3 . 10252 1 596 . 1 1 61 61 GLU HG2 H 1 2.363 0.030 . 2 . . . . 61 GLU HG2 . 10252 1 597 . 1 1 61 61 GLU HG3 H 1 2.316 0.030 . 2 . . . . 61 GLU HG3 . 10252 1 598 . 1 1 61 61 GLU C C 13 178.841 0.300 . 1 . . . . 61 GLU C . 10252 1 599 . 1 1 61 61 GLU CA C 13 59.577 0.300 . 1 . . . . 61 GLU CA . 10252 1 600 . 1 1 61 61 GLU CB C 13 29.299 0.300 . 1 . . . . 61 GLU CB . 10252 1 601 . 1 1 61 61 GLU CG C 13 35.598 0.300 . 1 . . . . 61 GLU CG . 10252 1 602 . 1 1 61 61 GLU N N 15 122.609 0.300 . 1 . . . . 61 GLU N . 10252 1 603 . 1 1 62 62 GLU H H 1 9.063 0.030 . 1 . . . . 62 GLU H . 10252 1 604 . 1 1 62 62 GLU HA H 1 4.033 0.030 . 1 . . . . 62 GLU HA . 10252 1 605 . 1 1 62 62 GLU HB2 H 1 2.053 0.030 . 2 . . . . 62 GLU HB2 . 10252 1 606 . 1 1 62 62 GLU HB3 H 1 2.003 0.030 . 2 . . . . 62 GLU HB3 . 10252 1 607 . 1 1 62 62 GLU HG2 H 1 2.288 0.030 . 2 . . . . 62 GLU HG2 . 10252 1 608 . 1 1 62 62 GLU HG3 H 1 2.343 0.030 . 2 . . . . 62 GLU HG3 . 10252 1 609 . 1 1 62 62 GLU C C 13 179.086 0.300 . 1 . . . . 62 GLU C . 10252 1 610 . 1 1 62 62 GLU CA C 13 59.841 0.300 . 1 . . . . 62 GLU CA . 10252 1 611 . 1 1 62 62 GLU CB C 13 28.660 0.300 . 1 . . . . 62 GLU CB . 10252 1 612 . 1 1 62 62 GLU CG C 13 36.749 0.300 . 1 . . . . 62 GLU CG . 10252 1 613 . 1 1 62 62 GLU N N 15 118.089 0.300 . 1 . . . . 62 GLU N . 10252 1 614 . 1 1 63 63 GLN H H 1 7.563 0.030 . 1 . . . . 63 GLN H . 10252 1 615 . 1 1 63 63 GLN HA H 1 4.282 0.030 . 1 . . . . 63 GLN HA . 10252 1 616 . 1 1 63 63 GLN HB2 H 1 2.177 0.030 . 2 . . . . 63 GLN HB2 . 10252 1 617 . 1 1 63 63 GLN HB3 H 1 2.299 0.030 . 2 . . . . 63 GLN HB3 . 10252 1 618 . 1 1 63 63 GLN HE21 H 1 7.666 0.030 . 2 . . . . 63 GLN HE21 . 10252 1 619 . 1 1 63 63 GLN HE22 H 1 6.987 0.030 . 2 . . . . 63 GLN HE22 . 10252 1 620 . 1 1 63 63 GLN HG2 H 1 2.609 0.030 . 2 . . . . 63 GLN HG2 . 10252 1 621 . 1 1 63 63 GLN HG3 H 1 2.503 0.030 . 2 . . . . 63 GLN HG3 . 10252 1 622 . 1 1 63 63 GLN C C 13 179.406 0.300 . 1 . . . . 63 GLN C . 10252 1 623 . 1 1 63 63 GLN CA C 13 59.050 0.300 . 1 . . . . 63 GLN CA . 10252 1 624 . 1 1 63 63 GLN CB C 13 29.089 0.300 . 1 . . . . 63 GLN CB . 10252 1 625 . 1 1 63 63 GLN CG C 13 35.233 0.300 . 1 . . . . 63 GLN CG . 10252 1 626 . 1 1 63 63 GLN N N 15 118.216 0.300 . 1 . . . . 63 GLN N . 10252 1 627 . 1 1 63 63 GLN NE2 N 15 112.846 0.300 . 1 . . . . 63 GLN NE2 . 10252 1 628 . 1 1 64 64 LYS H H 1 8.193 0.030 . 1 . . . . 64 LYS H . 10252 1 629 . 1 1 64 64 LYS HA H 1 3.933 0.030 . 1 . . . . 64 LYS HA . 10252 1 630 . 1 1 64 64 LYS HB2 H 1 1.701 0.030 . 2 . . . . 64 LYS HB2 . 10252 1 631 . 1 1 64 64 LYS HB3 H 1 1.491 0.030 . 2 . . . . 64 LYS HB3 . 10252 1 632 . 1 1 64 64 LYS HD2 H 1 1.111 0.030 . 2 . . . . 64 LYS HD2 . 10252 1 633 . 1 1 64 64 LYS HD3 H 1 0.963 0.030 . 2 . . . . 64 LYS HD3 . 10252 1 634 . 1 1 64 64 LYS HE2 H 1 1.878 0.030 . 2 . . . . 64 LYS HE2 . 10252 1 635 . 1 1 64 64 LYS HE3 H 1 1.723 0.030 . 2 . . . . 64 LYS HE3 . 10252 1 636 . 1 1 64 64 LYS HG2 H 1 -0.077 0.030 . 2 . . . . 64 LYS HG2 . 10252 1 637 . 1 1 64 64 LYS HG3 H 1 0.934 0.030 . 2 . . . . 64 LYS HG3 . 10252 1 638 . 1 1 64 64 LYS C C 13 179.858 0.300 . 1 . . . . 64 LYS C . 10252 1 639 . 1 1 64 64 LYS CA C 13 60.774 0.300 . 1 . . . . 64 LYS CA . 10252 1 640 . 1 1 64 64 LYS CB C 13 33.100 0.300 . 1 . . . . 64 LYS CB . 10252 1 641 . 1 1 64 64 LYS CD C 13 29.490 0.300 . 1 . . . . 64 LYS CD . 10252 1 642 . 1 1 64 64 LYS CE C 13 41.936 0.300 . 1 . . . . 64 LYS CE . 10252 1 643 . 1 1 64 64 LYS CG C 13 26.269 0.300 . 1 . . . . 64 LYS CG . 10252 1 644 . 1 1 64 64 LYS N N 15 119.928 0.300 . 1 . . . . 64 LYS N . 10252 1 645 . 1 1 65 65 GLN H H 1 8.459 0.030 . 1 . . . . 65 GLN H . 10252 1 646 . 1 1 65 65 GLN HA H 1 4.056 0.030 . 1 . . . . 65 GLN HA . 10252 1 647 . 1 1 65 65 GLN HB2 H 1 2.214 0.030 . 2 . . . . 65 GLN HB2 . 10252 1 648 . 1 1 65 65 GLN HB3 H 1 2.325 0.030 . 2 . . . . 65 GLN HB3 . 10252 1 649 . 1 1 65 65 GLN HE21 H 1 7.678 0.030 . 2 . . . . 65 GLN HE21 . 10252 1 650 . 1 1 65 65 GLN HE22 H 1 6.882 0.030 . 2 . . . . 65 GLN HE22 . 10252 1 651 . 1 1 65 65 GLN HG2 H 1 2.558 0.030 . 2 . . . . 65 GLN HG2 . 10252 1 652 . 1 1 65 65 GLN HG3 H 1 2.599 0.030 . 2 . . . . 65 GLN HG3 . 10252 1 653 . 1 1 65 65 GLN C C 13 177.751 0.300 . 1 . . . . 65 GLN C . 10252 1 654 . 1 1 65 65 GLN CA C 13 58.891 0.300 . 1 . . . . 65 GLN CA . 10252 1 655 . 1 1 65 65 GLN CB C 13 28.167 0.300 . 1 . . . . 65 GLN CB . 10252 1 656 . 1 1 65 65 GLN CG C 13 33.973 0.300 . 1 . . . . 65 GLN CG . 10252 1 657 . 1 1 65 65 GLN N N 15 117.874 0.300 . 1 . . . . 65 GLN N . 10252 1 658 . 1 1 65 65 GLN NE2 N 15 111.967 0.300 . 1 . . . . 65 GLN NE2 . 10252 1 659 . 1 1 66 66 VAL H H 1 7.408 0.030 . 1 . . . . 66 VAL H . 10252 1 660 . 1 1 66 66 VAL HA H 1 3.653 0.030 . 1 . . . . 66 VAL HA . 10252 1 661 . 1 1 66 66 VAL HB H 1 2.148 0.030 . 1 . . . . 66 VAL HB . 10252 1 662 . 1 1 66 66 VAL HG11 H 1 1.143 0.030 . 1 . . . . 66 VAL HG1 . 10252 1 663 . 1 1 66 66 VAL HG12 H 1 1.143 0.030 . 1 . . . . 66 VAL HG1 . 10252 1 664 . 1 1 66 66 VAL HG13 H 1 1.143 0.030 . 1 . . . . 66 VAL HG1 . 10252 1 665 . 1 1 66 66 VAL HG21 H 1 0.702 0.030 . 1 . . . . 66 VAL HG2 . 10252 1 666 . 1 1 66 66 VAL HG22 H 1 0.702 0.030 . 1 . . . . 66 VAL HG2 . 10252 1 667 . 1 1 66 66 VAL HG23 H 1 0.702 0.030 . 1 . . . . 66 VAL HG2 . 10252 1 668 . 1 1 66 66 VAL C C 13 178.900 0.300 . 1 . . . . 66 VAL C . 10252 1 669 . 1 1 66 66 VAL CA C 13 66.860 0.300 . 1 . . . . 66 VAL CA . 10252 1 670 . 1 1 66 66 VAL CB C 13 31.784 0.300 . 1 . . . . 66 VAL CB . 10252 1 671 . 1 1 66 66 VAL CG1 C 13 22.413 0.300 . 2 . . . . 66 VAL CG1 . 10252 1 672 . 1 1 66 66 VAL CG2 C 13 20.716 0.300 . 2 . . . . 66 VAL CG2 . 10252 1 673 . 1 1 66 66 VAL N N 15 119.348 0.300 . 1 . . . . 66 VAL N . 10252 1 674 . 1 1 67 67 TYR H H 1 7.229 0.030 . 1 . . . . 67 TYR H . 10252 1 675 . 1 1 67 67 TYR HA H 1 4.151 0.030 . 1 . . . . 67 TYR HA . 10252 1 676 . 1 1 67 67 TYR HB2 H 1 3.477 0.030 . 2 . . . . 67 TYR HB2 . 10252 1 677 . 1 1 67 67 TYR HB3 H 1 3.351 0.030 . 2 . . . . 67 TYR HB3 . 10252 1 678 . 1 1 67 67 TYR HD1 H 1 7.418 0.030 . 1 . . . . 67 TYR HD1 . 10252 1 679 . 1 1 67 67 TYR HD2 H 1 7.418 0.030 . 1 . . . . 67 TYR HD2 . 10252 1 680 . 1 1 67 67 TYR HE1 H 1 7.055 0.030 . 1 . . . . 67 TYR HE1 . 10252 1 681 . 1 1 67 67 TYR HE2 H 1 7.055 0.030 . 1 . . . . 67 TYR HE2 . 10252 1 682 . 1 1 67 67 TYR C C 13 178.776 0.300 . 1 . . . . 67 TYR C . 10252 1 683 . 1 1 67 67 TYR CA C 13 63.307 0.300 . 1 . . . . 67 TYR CA . 10252 1 684 . 1 1 67 67 TYR CB C 13 39.308 0.300 . 1 . . . . 67 TYR CB . 10252 1 685 . 1 1 67 67 TYR CD1 C 13 133.015 0.300 . 1 . . . . 67 TYR CD1 . 10252 1 686 . 1 1 67 67 TYR CD2 C 13 133.015 0.300 . 1 . . . . 67 TYR CD2 . 10252 1 687 . 1 1 67 67 TYR CE1 C 13 118.555 0.300 . 1 . . . . 67 TYR CE1 . 10252 1 688 . 1 1 67 67 TYR CE2 C 13 118.555 0.300 . 1 . . . . 67 TYR CE2 . 10252 1 689 . 1 1 67 67 TYR N N 15 117.638 0.300 . 1 . . . . 67 TYR N . 10252 1 690 . 1 1 68 68 LYS H H 1 8.554 0.030 . 1 . . . . 68 LYS H . 10252 1 691 . 1 1 68 68 LYS HA H 1 4.195 0.030 . 1 . . . . 68 LYS HA . 10252 1 692 . 1 1 68 68 LYS HB2 H 1 2.148 0.030 . 2 . . . . 68 LYS HB2 . 10252 1 693 . 1 1 68 68 LYS HB3 H 1 1.990 0.030 . 2 . . . . 68 LYS HB3 . 10252 1 694 . 1 1 68 68 LYS HD2 H 1 1.783 0.030 . 1 . . . . 68 LYS HD2 . 10252 1 695 . 1 1 68 68 LYS HD3 H 1 1.783 0.030 . 1 . . . . 68 LYS HD3 . 10252 1 696 . 1 1 68 68 LYS HG2 H 1 1.570 0.030 . 2 . . . . 68 LYS HG2 . 10252 1 697 . 1 1 68 68 LYS HG3 H 1 1.713 0.030 . 2 . . . . 68 LYS HG3 . 10252 1 698 . 1 1 68 68 LYS C C 13 179.468 0.300 . 1 . . . . 68 LYS C . 10252 1 699 . 1 1 68 68 LYS CA C 13 60.703 0.300 . 1 . . . . 68 LYS CA . 10252 1 700 . 1 1 68 68 LYS CB C 13 32.154 0.300 . 1 . . . . 68 LYS CB . 10252 1 701 . 1 1 68 68 LYS CD C 13 29.760 0.300 . 1 . . . . 68 LYS CD . 10252 1 702 . 1 1 68 68 LYS CE C 13 42.094 0.300 . 1 . . . . 68 LYS CE . 10252 1 703 . 1 1 68 68 LYS CG C 13 25.793 0.300 . 1 . . . . 68 LYS CG . 10252 1 704 . 1 1 68 68 LYS N N 15 121.795 0.300 . 1 . . . . 68 LYS N . 10252 1 705 . 1 1 69 69 LYS H H 1 8.883 0.030 . 1 . . . . 69 LYS H . 10252 1 706 . 1 1 69 69 LYS HA H 1 4.171 0.030 . 1 . . . . 69 LYS HA . 10252 1 707 . 1 1 69 69 LYS HB2 H 1 2.043 0.030 . 2 . . . . 69 LYS HB2 . 10252 1 708 . 1 1 69 69 LYS HB3 H 1 1.953 0.030 . 2 . . . . 69 LYS HB3 . 10252 1 709 . 1 1 69 69 LYS HD2 H 1 1.733 0.030 . 1 . . . . 69 LYS HD2 . 10252 1 710 . 1 1 69 69 LYS HD3 H 1 1.733 0.030 . 1 . . . . 69 LYS HD3 . 10252 1 711 . 1 1 69 69 LYS HE2 H 1 3.003 0.030 . 1 . . . . 69 LYS HE2 . 10252 1 712 . 1 1 69 69 LYS HE3 H 1 3.003 0.030 . 1 . . . . 69 LYS HE3 . 10252 1 713 . 1 1 69 69 LYS HG2 H 1 1.553 0.030 . 2 . . . . 69 LYS HG2 . 10252 1 714 . 1 1 69 69 LYS HG3 H 1 1.722 0.030 . 2 . . . . 69 LYS HG3 . 10252 1 715 . 1 1 69 69 LYS C C 13 180.214 0.300 . 1 . . . . 69 LYS C . 10252 1 716 . 1 1 69 69 LYS CA C 13 59.824 0.300 . 1 . . . . 69 LYS CA . 10252 1 717 . 1 1 69 69 LYS CB C 13 32.072 0.300 . 1 . . . . 69 LYS CB . 10252 1 718 . 1 1 69 69 LYS CD C 13 29.185 0.300 . 1 . . . . 69 LYS CD . 10252 1 719 . 1 1 69 69 LYS CE C 13 42.258 0.300 . 1 . . . . 69 LYS CE . 10252 1 720 . 1 1 69 69 LYS CG C 13 25.753 0.300 . 1 . . . . 69 LYS CG . 10252 1 721 . 1 1 69 69 LYS N N 15 120.539 0.300 . 1 . . . . 69 LYS N . 10252 1 722 . 1 1 70 70 LYS H H 1 7.791 0.030 . 1 . . . . 70 LYS H . 10252 1 723 . 1 1 70 70 LYS HA H 1 4.211 0.030 . 1 . . . . 70 LYS HA . 10252 1 724 . 1 1 70 70 LYS HB2 H 1 2.051 0.030 . 2 . . . . 70 LYS HB2 . 10252 1 725 . 1 1 70 70 LYS HB3 H 1 1.933 0.030 . 2 . . . . 70 LYS HB3 . 10252 1 726 . 1 1 70 70 LYS HD2 H 1 1.506 0.030 . 2 . . . . 70 LYS HD2 . 10252 1 727 . 1 1 70 70 LYS HD3 H 1 1.702 0.030 . 2 . . . . 70 LYS HD3 . 10252 1 728 . 1 1 70 70 LYS HE2 H 1 2.833 0.030 . 1 . . . . 70 LYS HE2 . 10252 1 729 . 1 1 70 70 LYS HE3 H 1 2.833 0.030 . 1 . . . . 70 LYS HE3 . 10252 1 730 . 1 1 70 70 LYS HG2 H 1 1.503 0.030 . 2 . . . . 70 LYS HG2 . 10252 1 731 . 1 1 70 70 LYS HG3 H 1 1.712 0.030 . 2 . . . . 70 LYS HG3 . 10252 1 732 . 1 1 70 70 LYS C C 13 179.985 0.300 . 1 . . . . 70 LYS C . 10252 1 733 . 1 1 70 70 LYS CA C 13 60.017 0.300 . 1 . . . . 70 LYS CA . 10252 1 734 . 1 1 70 70 LYS CB C 13 33.200 0.300 . 1 . . . . 70 LYS CB . 10252 1 735 . 1 1 70 70 LYS CD C 13 29.834 0.300 . 1 . . . . 70 LYS CD . 10252 1 736 . 1 1 70 70 LYS CE C 13 41.929 0.300 . 1 . . . . 70 LYS CE . 10252 1 737 . 1 1 70 70 LYS CG C 13 25.814 0.300 . 1 . . . . 70 LYS CG . 10252 1 738 . 1 1 70 70 LYS N N 15 119.946 0.300 . 1 . . . . 70 LYS N . 10252 1 739 . 1 1 71 71 THR H H 1 8.002 0.030 . 1 . . . . 71 THR H . 10252 1 740 . 1 1 71 71 THR HA H 1 4.301 0.030 . 1 . . . . 71 THR HA . 10252 1 741 . 1 1 71 71 THR HB H 1 4.436 0.030 . 1 . . . . 71 THR HB . 10252 1 742 . 1 1 71 71 THR HG21 H 1 1.443 0.030 . 1 . . . . 71 THR HG2 . 10252 1 743 . 1 1 71 71 THR HG22 H 1 1.443 0.030 . 1 . . . . 71 THR HG2 . 10252 1 744 . 1 1 71 71 THR HG23 H 1 1.443 0.030 . 1 . . . . 71 THR HG2 . 10252 1 745 . 1 1 71 71 THR C C 13 176.462 0.300 . 1 . . . . 71 THR C . 10252 1 746 . 1 1 71 71 THR CA C 13 66.402 0.300 . 1 . . . . 71 THR CA . 10252 1 747 . 1 1 71 71 THR CB C 13 68.949 0.300 . 1 . . . . 71 THR CB . 10252 1 748 . 1 1 71 71 THR CG2 C 13 21.741 0.300 . 1 . . . . 71 THR CG2 . 10252 1 749 . 1 1 71 71 THR N N 15 116.183 0.300 . 1 . . . . 71 THR N . 10252 1 750 . 1 1 72 72 GLU H H 1 8.295 0.030 . 1 . . . . 72 GLU H . 10252 1 751 . 1 1 72 72 GLU HA H 1 4.143 0.030 . 1 . . . . 72 GLU HA . 10252 1 752 . 1 1 72 72 GLU HB2 H 1 2.242 0.030 . 2 . . . . 72 GLU HB2 . 10252 1 753 . 1 1 72 72 GLU HB3 H 1 2.193 0.030 . 2 . . . . 72 GLU HB3 . 10252 1 754 . 1 1 72 72 GLU HG2 H 1 2.493 0.030 . 2 . . . . 72 GLU HG2 . 10252 1 755 . 1 1 72 72 GLU HG3 H 1 2.417 0.030 . 2 . . . . 72 GLU HG3 . 10252 1 756 . 1 1 72 72 GLU C C 13 179.498 0.300 . 1 . . . . 72 GLU C . 10252 1 757 . 1 1 72 72 GLU CA C 13 59.665 0.300 . 1 . . . . 72 GLU CA . 10252 1 758 . 1 1 72 72 GLU CB C 13 29.400 0.300 . 1 . . . . 72 GLU CB . 10252 1 759 . 1 1 72 72 GLU CG C 13 36.356 0.300 . 1 . . . . 72 GLU CG . 10252 1 760 . 1 1 72 72 GLU N N 15 123.438 0.300 . 1 . . . . 72 GLU N . 10252 1 761 . 1 1 73 73 ALA H H 1 8.063 0.030 . 1 . . . . 73 ALA H . 10252 1 762 . 1 1 73 73 ALA HA H 1 4.262 0.030 . 1 . . . . 73 ALA HA . 10252 1 763 . 1 1 73 73 ALA HB1 H 1 1.600 0.030 . 1 . . . . 73 ALA HB . 10252 1 764 . 1 1 73 73 ALA HB2 H 1 1.600 0.030 . 1 . . . . 73 ALA HB . 10252 1 765 . 1 1 73 73 ALA HB3 H 1 1.600 0.030 . 1 . . . . 73 ALA HB . 10252 1 766 . 1 1 73 73 ALA C C 13 180.639 0.300 . 1 . . . . 73 ALA C . 10252 1 767 . 1 1 73 73 ALA CA C 13 55.268 0.300 . 1 . . . . 73 ALA CA . 10252 1 768 . 1 1 73 73 ALA CB C 13 17.824 0.300 . 1 . . . . 73 ALA CB . 10252 1 769 . 1 1 73 73 ALA N N 15 122.231 0.300 . 1 . . . . 73 ALA N . 10252 1 770 . 1 1 74 74 ALA H H 1 8.093 0.030 . 1 . . . . 74 ALA H . 10252 1 771 . 1 1 74 74 ALA HA H 1 4.320 0.030 . 1 . . . . 74 ALA HA . 10252 1 772 . 1 1 74 74 ALA HB1 H 1 1.673 0.030 . 1 . . . . 74 ALA HB . 10252 1 773 . 1 1 74 74 ALA HB2 H 1 1.673 0.030 . 1 . . . . 74 ALA HB . 10252 1 774 . 1 1 74 74 ALA HB3 H 1 1.673 0.030 . 1 . . . . 74 ALA HB . 10252 1 775 . 1 1 74 74 ALA C C 13 181.394 0.300 . 1 . . . . 74 ALA C . 10252 1 776 . 1 1 74 74 ALA CA C 13 54.904 0.300 . 1 . . . . 74 ALA CA . 10252 1 777 . 1 1 74 74 ALA CB C 13 18.313 0.300 . 1 . . . . 74 ALA CB . 10252 1 778 . 1 1 74 74 ALA N N 15 121.882 0.300 . 1 . . . . 74 ALA N . 10252 1 779 . 1 1 75 75 LYS H H 1 8.661 0.030 . 1 . . . . 75 LYS H . 10252 1 780 . 1 1 75 75 LYS HA H 1 4.053 0.030 . 1 . . . . 75 LYS HA . 10252 1 781 . 1 1 75 75 LYS HB2 H 1 2.083 0.030 . 2 . . . . 75 LYS HB2 . 10252 1 782 . 1 1 75 75 LYS HB3 H 1 2.143 0.030 . 2 . . . . 75 LYS HB3 . 10252 1 783 . 1 1 75 75 LYS HE2 H 1 3.003 0.030 . 2 . . . . 75 LYS HE2 . 10252 1 784 . 1 1 75 75 LYS HG2 H 1 1.493 0.030 . 2 . . . . 75 LYS HG2 . 10252 1 785 . 1 1 75 75 LYS HG3 H 1 1.713 0.030 . 2 . . . . 75 LYS HG3 . 10252 1 786 . 1 1 75 75 LYS C C 13 178.096 0.300 . 1 . . . . 75 LYS C . 10252 1 787 . 1 1 75 75 LYS CA C 13 60.510 0.300 . 1 . . . . 75 LYS CA . 10252 1 788 . 1 1 75 75 LYS CB C 13 32.236 0.300 . 1 . . . . 75 LYS CB . 10252 1 789 . 1 1 75 75 LYS CD C 13 29.678 0.300 . 1 . . . . 75 LYS CD . 10252 1 790 . 1 1 75 75 LYS CE C 13 42.176 0.300 . 1 . . . . 75 LYS CE . 10252 1 791 . 1 1 75 75 LYS CG C 13 25.713 0.300 . 1 . . . . 75 LYS CG . 10252 1 792 . 1 1 75 75 LYS N N 15 121.652 0.300 . 1 . . . . 75 LYS N . 10252 1 793 . 1 1 76 76 LYS H H 1 7.855 0.030 . 1 . . . . 76 LYS H . 10252 1 794 . 1 1 76 76 LYS HA H 1 4.110 0.030 . 1 . . . . 76 LYS HA . 10252 1 795 . 1 1 76 76 LYS HB2 H 1 2.039 0.030 . 1 . . . . 76 LYS HB2 . 10252 1 796 . 1 1 76 76 LYS HB3 H 1 2.039 0.030 . 1 . . . . 76 LYS HB3 . 10252 1 797 . 1 1 76 76 LYS HG2 H 1 1.535 0.030 . 1 . . . . 76 LYS HG2 . 10252 1 798 . 1 1 76 76 LYS HG3 H 1 1.535 0.030 . 1 . . . . 76 LYS HG3 . 10252 1 799 . 1 1 76 76 LYS C C 13 179.822 0.300 . 1 . . . . 76 LYS C . 10252 1 800 . 1 1 76 76 LYS CA C 13 59.993 0.300 . 1 . . . . 76 LYS CA . 10252 1 801 . 1 1 76 76 LYS CB C 13 32.401 0.300 . 1 . . . . 76 LYS CB . 10252 1 802 . 1 1 76 76 LYS CD C 13 29.514 0.300 . 1 . . . . 76 LYS CD . 10252 1 803 . 1 1 76 76 LYS CE C 13 42.258 0.300 . 1 . . . . 76 LYS CE . 10252 1 804 . 1 1 76 76 LYS CG C 13 25.567 0.300 . 1 . . . . 76 LYS CG . 10252 1 805 . 1 1 76 76 LYS N N 15 119.219 0.300 . 1 . . . . 76 LYS N . 10252 1 806 . 1 1 77 77 GLU H H 1 7.880 0.030 . 1 . . . . 77 GLU H . 10252 1 807 . 1 1 77 77 GLU HA H 1 4.233 0.030 . 1 . . . . 77 GLU HA . 10252 1 808 . 1 1 77 77 GLU HB2 H 1 2.176 0.030 . 1 . . . . 77 GLU HB2 . 10252 1 809 . 1 1 77 77 GLU HB3 H 1 2.176 0.030 . 1 . . . . 77 GLU HB3 . 10252 1 810 . 1 1 77 77 GLU HG2 H 1 2.401 0.030 . 2 . . . . 77 GLU HG2 . 10252 1 811 . 1 1 77 77 GLU HG3 H 1 2.453 0.030 . 2 . . . . 77 GLU HG3 . 10252 1 812 . 1 1 77 77 GLU C C 13 178.358 0.300 . 1 . . . . 77 GLU C . 10252 1 813 . 1 1 77 77 GLU CA C 13 58.980 0.300 . 1 . . . . 77 GLU CA . 10252 1 814 . 1 1 77 77 GLU CB C 13 29.235 0.300 . 1 . . . . 77 GLU CB . 10252 1 815 . 1 1 77 77 GLU CG C 13 35.453 0.300 . 1 . . . . 77 GLU CG . 10252 1 816 . 1 1 77 77 GLU N N 15 119.640 0.300 . 1 . . . . 77 GLU N . 10252 1 817 . 1 1 78 78 TYR H H 1 8.391 0.030 . 1 . . . . 78 TYR H . 10252 1 818 . 1 1 78 78 TYR HA H 1 4.413 0.030 . 1 . . . . 78 TYR HA . 10252 1 819 . 1 1 78 78 TYR HB2 H 1 3.283 0.030 . 2 . . . . 78 TYR HB2 . 10252 1 820 . 1 1 78 78 TYR HB3 H 1 3.243 0.030 . 2 . . . . 78 TYR HB3 . 10252 1 821 . 1 1 78 78 TYR HD1 H 1 7.083 0.030 . 1 . . . . 78 TYR HD1 . 10252 1 822 . 1 1 78 78 TYR HD2 H 1 7.083 0.030 . 1 . . . . 78 TYR HD2 . 10252 1 823 . 1 1 78 78 TYR HE1 H 1 6.636 0.030 . 1 . . . . 78 TYR HE1 . 10252 1 824 . 1 1 78 78 TYR HE2 H 1 6.636 0.030 . 1 . . . . 78 TYR HE2 . 10252 1 825 . 1 1 78 78 TYR C C 13 176.737 0.300 . 1 . . . . 78 TYR C . 10252 1 826 . 1 1 78 78 TYR CA C 13 60.809 0.300 . 1 . . . . 78 TYR CA . 10252 1 827 . 1 1 78 78 TYR CB C 13 38.239 0.300 . 1 . . . . 78 TYR CB . 10252 1 828 . 1 1 78 78 TYR CD1 C 13 133.806 0.300 . 1 . . . . 78 TYR CD1 . 10252 1 829 . 1 1 78 78 TYR CD2 C 13 133.806 0.300 . 1 . . . . 78 TYR CD2 . 10252 1 830 . 1 1 78 78 TYR CE1 C 13 117.798 0.300 . 1 . . . . 78 TYR CE1 . 10252 1 831 . 1 1 78 78 TYR CE2 C 13 117.798 0.300 . 1 . . . . 78 TYR CE2 . 10252 1 832 . 1 1 78 78 TYR N N 15 121.464 0.300 . 1 . . . . 78 TYR N . 10252 1 833 . 1 1 79 79 LEU H H 1 8.203 0.030 . 1 . . . . 79 LEU H . 10252 1 834 . 1 1 79 79 LEU HA H 1 3.764 0.030 . 1 . . . . 79 LEU HA . 10252 1 835 . 1 1 79 79 LEU HB2 H 1 1.973 0.030 . 2 . . . . 79 LEU HB2 . 10252 1 836 . 1 1 79 79 LEU HB3 H 1 1.503 0.030 . 2 . . . . 79 LEU HB3 . 10252 1 837 . 1 1 79 79 LEU HD11 H 1 1.023 0.030 . 1 . . . . 79 LEU HD1 . 10252 1 838 . 1 1 79 79 LEU HD12 H 1 1.023 0.030 . 1 . . . . 79 LEU HD1 . 10252 1 839 . 1 1 79 79 LEU HD13 H 1 1.023 0.030 . 1 . . . . 79 LEU HD1 . 10252 1 840 . 1 1 79 79 LEU HD21 H 1 0.965 0.030 . 1 . . . . 79 LEU HD2 . 10252 1 841 . 1 1 79 79 LEU HD22 H 1 0.965 0.030 . 1 . . . . 79 LEU HD2 . 10252 1 842 . 1 1 79 79 LEU HD23 H 1 0.965 0.030 . 1 . . . . 79 LEU HD2 . 10252 1 843 . 1 1 79 79 LEU HG H 1 2.073 0.030 . 1 . . . . 79 LEU HG . 10252 1 844 . 1 1 79 79 LEU C C 13 180.728 0.300 . 1 . . . . 79 LEU C . 10252 1 845 . 1 1 79 79 LEU CA C 13 58.170 0.300 . 1 . . . . 79 LEU CA . 10252 1 846 . 1 1 79 79 LEU CB C 13 41.445 0.300 . 1 . . . . 79 LEU CB . 10252 1 847 . 1 1 79 79 LEU CD1 C 13 25.732 0.300 . 2 . . . . 79 LEU CD1 . 10252 1 848 . 1 1 79 79 LEU CD2 C 13 22.443 0.300 . 2 . . . . 79 LEU CD2 . 10252 1 849 . 1 1 79 79 LEU CG C 13 27.131 0.300 . 1 . . . . 79 LEU CG . 10252 1 850 . 1 1 79 79 LEU N N 15 118.433 0.300 . 1 . . . . 79 LEU N . 10252 1 851 . 1 1 80 80 LYS H H 1 7.523 0.030 . 1 . . . . 80 LYS H . 10252 1 852 . 1 1 80 80 LYS HA H 1 4.134 0.030 . 1 . . . . 80 LYS HA . 10252 1 853 . 1 1 80 80 LYS HB2 H 1 2.039 0.030 . 1 . . . . 80 LYS HB2 . 10252 1 854 . 1 1 80 80 LYS HB3 H 1 2.039 0.030 . 1 . . . . 80 LYS HB3 . 10252 1 855 . 1 1 80 80 LYS HD2 H 1 1.763 0.030 . 1 . . . . 80 LYS HD2 . 10252 1 856 . 1 1 80 80 LYS HD3 H 1 1.763 0.030 . 1 . . . . 80 LYS HD3 . 10252 1 857 . 1 1 80 80 LYS HE2 H 1 3.003 0.030 . 1 . . . . 80 LYS HE2 . 10252 1 858 . 1 1 80 80 LYS HE3 H 1 3.003 0.030 . 1 . . . . 80 LYS HE3 . 10252 1 859 . 1 1 80 80 LYS HG2 H 1 1.653 0.030 . 2 . . . . 80 LYS HG2 . 10252 1 860 . 1 1 80 80 LYS HG3 H 1 1.429 0.030 . 2 . . . . 80 LYS HG3 . 10252 1 861 . 1 1 80 80 LYS C C 13 179.804 0.300 . 1 . . . . 80 LYS C . 10252 1 862 . 1 1 80 80 LYS CA C 13 59.630 0.300 . 1 . . . . 80 LYS CA . 10252 1 863 . 1 1 80 80 LYS CB C 13 32.400 0.300 . 1 . . . . 80 LYS CB . 10252 1 864 . 1 1 80 80 LYS CD C 13 29.514 0.300 . 1 . . . . 80 LYS CD . 10252 1 865 . 1 1 80 80 LYS CE C 13 42.094 0.300 . 1 . . . . 80 LYS CE . 10252 1 866 . 1 1 80 80 LYS CG C 13 24.883 0.300 . 1 . . . . 80 LYS CG . 10252 1 867 . 1 1 80 80 LYS N N 15 120.723 0.300 . 1 . . . . 80 LYS N . 10252 1 868 . 1 1 81 81 GLN H H 1 8.473 0.030 . 1 . . . . 81 GLN H . 10252 1 869 . 1 1 81 81 GLN HA H 1 4.144 0.030 . 1 . . . . 81 GLN HA . 10252 1 870 . 1 1 81 81 GLN HB2 H 1 2.232 0.030 . 2 . . . . 81 GLN HB2 . 10252 1 871 . 1 1 81 81 GLN HB3 H 1 2.081 0.030 . 2 . . . . 81 GLN HB3 . 10252 1 872 . 1 1 81 81 GLN HE21 H 1 6.837 0.030 . 2 . . . . 81 GLN HE21 . 10252 1 873 . 1 1 81 81 GLN HE22 H 1 7.789 0.030 . 2 . . . . 81 GLN HE22 . 10252 1 874 . 1 1 81 81 GLN HG2 H 1 2.713 0.030 . 2 . . . . 81 GLN HG2 . 10252 1 875 . 1 1 81 81 GLN HG3 H 1 2.503 0.030 . 2 . . . . 81 GLN HG3 . 10252 1 876 . 1 1 81 81 GLN C C 13 179.906 0.300 . 1 . . . . 81 GLN C . 10252 1 877 . 1 1 81 81 GLN CA C 13 58.628 0.300 . 1 . . . . 81 GLN CA . 10252 1 878 . 1 1 81 81 GLN CB C 13 28.273 0.300 . 1 . . . . 81 GLN CB . 10252 1 879 . 1 1 81 81 GLN CG C 13 33.707 0.300 . 1 . . . . 81 GLN CG . 10252 1 880 . 1 1 81 81 GLN N N 15 120.899 0.300 . 1 . . . . 81 GLN N . 10252 1 881 . 1 1 81 81 GLN NE2 N 15 111.451 0.300 . 1 . . . . 81 GLN NE2 . 10252 1 882 . 1 1 82 82 LEU H H 1 9.233 0.030 . 1 . . . . 82 LEU H . 10252 1 883 . 1 1 82 82 LEU HA H 1 3.963 0.030 . 1 . . . . 82 LEU HA . 10252 1 884 . 1 1 82 82 LEU HB2 H 1 1.602 0.030 . 2 . . . . 82 LEU HB2 . 10252 1 885 . 1 1 82 82 LEU HB3 H 1 1.014 0.030 . 2 . . . . 82 LEU HB3 . 10252 1 886 . 1 1 82 82 LEU HD11 H 1 0.849 0.030 . 1 . . . . 82 LEU HD1 . 10252 1 887 . 1 1 82 82 LEU HD12 H 1 0.849 0.030 . 1 . . . . 82 LEU HD1 . 10252 1 888 . 1 1 82 82 LEU HD13 H 1 0.849 0.030 . 1 . . . . 82 LEU HD1 . 10252 1 889 . 1 1 82 82 LEU HD21 H 1 0.903 0.030 . 1 . . . . 82 LEU HD2 . 10252 1 890 . 1 1 82 82 LEU HD22 H 1 0.903 0.030 . 1 . . . . 82 LEU HD2 . 10252 1 891 . 1 1 82 82 LEU HD23 H 1 0.903 0.030 . 1 . . . . 82 LEU HD2 . 10252 1 892 . 1 1 82 82 LEU HG H 1 1.425 0.030 . 1 . . . . 82 LEU HG . 10252 1 893 . 1 1 82 82 LEU C C 13 178.293 0.300 . 1 . . . . 82 LEU C . 10252 1 894 . 1 1 82 82 LEU CA C 13 57.959 0.300 . 1 . . . . 82 LEU CA . 10252 1 895 . 1 1 82 82 LEU CB C 13 42.044 0.300 . 1 . . . . 82 LEU CB . 10252 1 896 . 1 1 82 82 LEU CD1 C 13 24.816 0.300 . 2 . . . . 82 LEU CD1 . 10252 1 897 . 1 1 82 82 LEU CD2 C 13 23.347 0.300 . 2 . . . . 82 LEU CD2 . 10252 1 898 . 1 1 82 82 LEU CG C 13 26.539 0.300 . 1 . . . . 82 LEU CG . 10252 1 899 . 1 1 82 82 LEU N N 15 123.463 0.300 . 1 . . . . 82 LEU N . 10252 1 900 . 1 1 83 83 ALA H H 1 7.732 0.030 . 1 . . . . 83 ALA H . 10252 1 901 . 1 1 83 83 ALA HA H 1 4.223 0.030 . 1 . . . . 83 ALA HA . 10252 1 902 . 1 1 83 83 ALA HB1 H 1 1.551 0.030 . 1 . . . . 83 ALA HB . 10252 1 903 . 1 1 83 83 ALA HB2 H 1 1.551 0.030 . 1 . . . . 83 ALA HB . 10252 1 904 . 1 1 83 83 ALA HB3 H 1 1.551 0.030 . 1 . . . . 83 ALA HB . 10252 1 905 . 1 1 83 83 ALA C C 13 180.853 0.300 . 1 . . . . 83 ALA C . 10252 1 906 . 1 1 83 83 ALA CA C 13 54.944 0.300 . 1 . . . . 83 ALA CA . 10252 1 907 . 1 1 83 83 ALA CB C 13 17.765 0.300 . 1 . . . . 83 ALA CB . 10252 1 908 . 1 1 83 83 ALA N N 15 120.956 0.300 . 1 . . . . 83 ALA N . 10252 1 909 . 1 1 84 84 ALA H H 1 7.716 0.030 . 1 . . . . 84 ALA H . 10252 1 910 . 1 1 84 84 ALA HA H 1 4.135 0.030 . 1 . . . . 84 ALA HA . 10252 1 911 . 1 1 84 84 ALA HB1 H 1 1.541 0.030 . 1 . . . . 84 ALA HB . 10252 1 912 . 1 1 84 84 ALA HB2 H 1 1.541 0.030 . 1 . . . . 84 ALA HB . 10252 1 913 . 1 1 84 84 ALA HB3 H 1 1.541 0.030 . 1 . . . . 84 ALA HB . 10252 1 914 . 1 1 84 84 ALA C C 13 180.256 0.300 . 1 . . . . 84 ALA C . 10252 1 915 . 1 1 84 84 ALA CA C 13 55.234 0.300 . 1 . . . . 84 ALA CA . 10252 1 916 . 1 1 84 84 ALA CB C 13 17.806 0.300 . 1 . . . . 84 ALA CB . 10252 1 917 . 1 1 84 84 ALA N N 15 121.082 0.300 . 1 . . . . 84 ALA N . 10252 1 918 . 1 1 85 85 TYR H H 1 8.453 0.030 . 1 . . . . 85 TYR H . 10252 1 919 . 1 1 85 85 TYR HA H 1 4.310 0.030 . 1 . . . . 85 TYR HA . 10252 1 920 . 1 1 85 85 TYR HB2 H 1 3.170 0.030 . 2 . . . . 85 TYR HB2 . 10252 1 921 . 1 1 85 85 TYR HB3 H 1 3.272 0.030 . 2 . . . . 85 TYR HB3 . 10252 1 922 . 1 1 85 85 TYR HD1 H 1 7.064 0.030 . 1 . . . . 85 TYR HD1 . 10252 1 923 . 1 1 85 85 TYR HD2 H 1 7.064 0.030 . 1 . . . . 85 TYR HD2 . 10252 1 924 . 1 1 85 85 TYR HE1 H 1 6.785 0.030 . 1 . . . . 85 TYR HE1 . 10252 1 925 . 1 1 85 85 TYR HE2 H 1 6.785 0.030 . 1 . . . . 85 TYR HE2 . 10252 1 926 . 1 1 85 85 TYR C C 13 178.538 0.300 . 1 . . . . 85 TYR C . 10252 1 927 . 1 1 85 85 TYR CA C 13 60.862 0.300 . 1 . . . . 85 TYR CA . 10252 1 928 . 1 1 85 85 TYR CB C 13 38.444 0.300 . 1 . . . . 85 TYR CB . 10252 1 929 . 1 1 85 85 TYR CD1 C 13 133.063 0.300 . 1 . . . . 85 TYR CD1 . 10252 1 930 . 1 1 85 85 TYR CD2 C 13 133.063 0.300 . 1 . . . . 85 TYR CD2 . 10252 1 931 . 1 1 85 85 TYR CE1 C 13 118.500 0.300 . 1 . . . . 85 TYR CE1 . 10252 1 932 . 1 1 85 85 TYR CE2 C 13 118.500 0.300 . 1 . . . . 85 TYR CE2 . 10252 1 933 . 1 1 85 85 TYR N N 15 121.359 0.300 . 1 . . . . 85 TYR N . 10252 1 934 . 1 1 86 86 ARG H H 1 8.734 0.030 . 1 . . . . 86 ARG H . 10252 1 935 . 1 1 86 86 ARG HA H 1 3.713 0.030 . 1 . . . . 86 ARG HA . 10252 1 936 . 1 1 86 86 ARG HB2 H 1 1.893 0.030 . 1 . . . . 86 ARG HB2 . 10252 1 937 . 1 1 86 86 ARG HB3 H 1 1.893 0.030 . 1 . . . . 86 ARG HB3 . 10252 1 938 . 1 1 86 86 ARG HD2 H 1 3.184 0.030 . 1 . . . . 86 ARG HD2 . 10252 1 939 . 1 1 86 86 ARG HD3 H 1 3.184 0.030 . 1 . . . . 86 ARG HD3 . 10252 1 940 . 1 1 86 86 ARG HG2 H 1 1.723 0.030 . 2 . . . . 86 ARG HG2 . 10252 1 941 . 1 1 86 86 ARG HG3 H 1 2.002 0.030 . 2 . . . . 86 ARG HG3 . 10252 1 942 . 1 1 86 86 ARG C C 13 178.962 0.300 . 1 . . . . 86 ARG C . 10252 1 943 . 1 1 86 86 ARG CA C 13 59.454 0.300 . 1 . . . . 86 ARG CA . 10252 1 944 . 1 1 86 86 ARG CB C 13 29.605 0.300 . 1 . . . . 86 ARG CB . 10252 1 945 . 1 1 86 86 ARG CD C 13 43.656 0.300 . 1 . . . . 86 ARG CD . 10252 1 946 . 1 1 86 86 ARG CG C 13 28.363 0.300 . 1 . . . . 86 ARG CG . 10252 1 947 . 1 1 86 86 ARG N N 15 119.740 0.300 . 1 . . . . 86 ARG N . 10252 1 948 . 1 1 87 87 ALA H H 1 7.853 0.030 . 1 . . . . 87 ALA H . 10252 1 949 . 1 1 87 87 ALA HA H 1 4.195 0.030 . 1 . . . . 87 ALA HA . 10252 1 950 . 1 1 87 87 ALA HB1 H 1 1.491 0.030 . 1 . . . . 87 ALA HB . 10252 1 951 . 1 1 87 87 ALA HB2 H 1 1.491 0.030 . 1 . . . . 87 ALA HB . 10252 1 952 . 1 1 87 87 ALA HB3 H 1 1.491 0.030 . 1 . . . . 87 ALA HB . 10252 1 953 . 1 1 87 87 ALA C C 13 179.605 0.300 . 1 . . . . 87 ALA C . 10252 1 954 . 1 1 87 87 ALA CA C 13 54.353 0.300 . 1 . . . . 87 ALA CA . 10252 1 955 . 1 1 87 87 ALA CB C 13 17.971 0.300 . 1 . . . . 87 ALA CB . 10252 1 956 . 1 1 87 87 ALA N N 15 120.667 0.300 . 1 . . . . 87 ALA N . 10252 1 957 . 1 1 88 88 SER H H 1 7.763 0.030 . 1 . . . . 88 SER H . 10252 1 958 . 1 1 88 88 SER HA H 1 4.347 0.030 . 1 . . . . 88 SER HA . 10252 1 959 . 1 1 88 88 SER HB2 H 1 3.994 0.030 . 1 . . . . 88 SER HB2 . 10252 1 960 . 1 1 88 88 SER HB3 H 1 3.994 0.030 . 1 . . . . 88 SER HB3 . 10252 1 961 . 1 1 88 88 SER C C 13 175.219 0.300 . 1 . . . . 88 SER C . 10252 1 962 . 1 1 88 88 SER CA C 13 60.158 0.300 . 1 . . . . 88 SER CA . 10252 1 963 . 1 1 88 88 SER CB C 13 63.440 0.300 . 1 . . . . 88 SER CB . 10252 1 964 . 1 1 88 88 SER N N 15 114.332 0.300 . 1 . . . . 88 SER N . 10252 1 965 . 1 1 89 89 LEU H H 1 7.344 0.030 . 1 . . . . 89 LEU H . 10252 1 966 . 1 1 89 89 LEU HA H 1 4.163 0.030 . 1 . . . . 89 LEU HA . 10252 1 967 . 1 1 89 89 LEU HB2 H 1 1.663 0.030 . 2 . . . . 89 LEU HB2 . 10252 1 968 . 1 1 89 89 LEU HB3 H 1 1.483 0.030 . 2 . . . . 89 LEU HB3 . 10252 1 969 . 1 1 89 89 LEU HD11 H 1 0.721 0.030 . 1 . . . . 89 LEU HD1 . 10252 1 970 . 1 1 89 89 LEU HD12 H 1 0.721 0.030 . 1 . . . . 89 LEU HD1 . 10252 1 971 . 1 1 89 89 LEU HD13 H 1 0.721 0.030 . 1 . . . . 89 LEU HD1 . 10252 1 972 . 1 1 89 89 LEU HD21 H 1 0.673 0.030 . 1 . . . . 89 LEU HD2 . 10252 1 973 . 1 1 89 89 LEU HD22 H 1 0.673 0.030 . 1 . . . . 89 LEU HD2 . 10252 1 974 . 1 1 89 89 LEU HD23 H 1 0.673 0.030 . 1 . . . . 89 LEU HD2 . 10252 1 975 . 1 1 89 89 LEU HG H 1 1.463 0.030 . 1 . . . . 89 LEU HG . 10252 1 976 . 1 1 89 89 LEU C C 13 178.335 0.300 . 1 . . . . 89 LEU C . 10252 1 977 . 1 1 89 89 LEU CA C 13 56.059 0.300 . 1 . . . . 89 LEU CA . 10252 1 978 . 1 1 89 89 LEU CB C 13 42.062 0.300 . 1 . . . . 89 LEU CB . 10252 1 979 . 1 1 89 89 LEU CD1 C 13 25.007 0.300 . 2 . . . . 89 LEU CD1 . 10252 1 980 . 1 1 89 89 LEU CD2 C 13 22.278 0.300 . 2 . . . . 89 LEU CD2 . 10252 1 981 . 1 1 89 89 LEU CG C 13 26.143 0.300 . 1 . . . . 89 LEU CG . 10252 1 982 . 1 1 89 89 LEU N N 15 121.862 0.300 . 1 . . . . 89 LEU N . 10252 1 983 . 1 1 90 90 VAL H H 1 7.533 0.030 . 1 . . . . 90 VAL H . 10252 1 984 . 1 1 90 90 VAL HA H 1 4.063 0.030 . 1 . . . . 90 VAL HA . 10252 1 985 . 1 1 90 90 VAL HB H 1 2.173 0.030 . 1 . . . . 90 VAL HB . 10252 1 986 . 1 1 90 90 VAL HG11 H 1 1.003 0.030 . 1 . . . . 90 VAL HG1 . 10252 1 987 . 1 1 90 90 VAL HG12 H 1 1.003 0.030 . 1 . . . . 90 VAL HG1 . 10252 1 988 . 1 1 90 90 VAL HG13 H 1 1.003 0.030 . 1 . . . . 90 VAL HG1 . 10252 1 989 . 1 1 90 90 VAL HG21 H 1 0.963 0.030 . 1 . . . . 90 VAL HG2 . 10252 1 990 . 1 1 90 90 VAL HG22 H 1 0.963 0.030 . 1 . . . . 90 VAL HG2 . 10252 1 991 . 1 1 90 90 VAL HG23 H 1 0.963 0.030 . 1 . . . . 90 VAL HG2 . 10252 1 992 . 1 1 90 90 VAL C C 13 176.743 0.300 . 1 . . . . 90 VAL C . 10252 1 993 . 1 1 90 90 VAL CA C 13 63.183 0.300 . 1 . . . . 90 VAL CA . 10252 1 994 . 1 1 90 90 VAL CB C 13 32.318 0.300 . 1 . . . . 90 VAL CB . 10252 1 995 . 1 1 90 90 VAL CG1 C 13 20.880 0.300 . 2 . . . . 90 VAL CG1 . 10252 1 996 . 1 1 90 90 VAL CG2 C 13 21.283 0.300 . 2 . . . . 90 VAL CG2 . 10252 1 997 . 1 1 90 90 VAL N N 15 117.748 0.300 . 1 . . . . 90 VAL N . 10252 1 998 . 1 1 91 91 SER H H 1 8.059 0.030 . 1 . . . . 91 SER H . 10252 1 999 . 1 1 91 91 SER HA H 1 4.415 0.030 . 1 . . . . 91 SER HA . 10252 1 1000 . 1 1 91 91 SER HB2 H 1 3.879 0.030 . 1 . . . . 91 SER HB2 . 10252 1 1001 . 1 1 91 91 SER HB3 H 1 3.879 0.030 . 1 . . . . 91 SER HB3 . 10252 1 1002 . 1 1 91 91 SER C C 13 174.854 0.300 . 1 . . . . 91 SER C . 10252 1 1003 . 1 1 91 91 SER CA C 13 58.861 0.300 . 1 . . . . 91 SER CA . 10252 1 1004 . 1 1 91 91 SER CB C 13 63.810 0.300 . 1 . . . . 91 SER CB . 10252 1 1005 . 1 1 91 91 SER N N 15 117.663 0.300 . 1 . . . . 91 SER N . 10252 1 1006 . 1 1 92 92 LYS H H 1 8.158 0.030 . 1 . . . . 92 LYS H . 10252 1 1007 . 1 1 92 92 LYS HA H 1 4.329 0.030 . 1 . . . . 92 LYS HA . 10252 1 1008 . 1 1 92 92 LYS HB2 H 1 1.771 0.030 . 1 . . . . 92 LYS HB2 . 10252 1 1009 . 1 1 92 92 LYS HB3 H 1 1.771 0.030 . 1 . . . . 92 LYS HB3 . 10252 1 1010 . 1 1 92 92 LYS C C 13 176.528 0.300 . 1 . . . . 92 LYS C . 10252 1 1011 . 1 1 92 92 LYS CA C 13 56.551 0.300 . 1 . . . . 92 LYS CA . 10252 1 1012 . 1 1 92 92 LYS CB C 13 32.771 0.300 . 1 . . . . 92 LYS CB . 10252 1 1013 . 1 1 92 92 LYS CD C 13 29.185 0.300 . 1 . . . . 92 LYS CD . 10252 1 1014 . 1 1 92 92 LYS CE C 13 42.258 0.300 . 1 . . . . 92 LYS CE . 10252 1 1015 . 1 1 92 92 LYS CG C 13 24.745 0.300 . 1 . . . . 92 LYS CG . 10252 1 1016 . 1 1 92 92 LYS N N 15 122.827 0.300 . 1 . . . . 92 LYS N . 10252 1 1017 . 1 1 93 93 SER H H 1 8.186 0.030 . 1 . . . . 93 SER H . 10252 1 1018 . 1 1 93 93 SER HA H 1 4.444 0.030 . 1 . . . . 93 SER HA . 10252 1 1019 . 1 1 93 93 SER HB2 H 1 3.830 0.030 . 1 . . . . 93 SER HB2 . 10252 1 1020 . 1 1 93 93 SER HB3 H 1 3.830 0.030 . 1 . . . . 93 SER HB3 . 10252 1 1021 . 1 1 93 93 SER C C 13 174.271 0.300 . 1 . . . . 93 SER C . 10252 1 1022 . 1 1 93 93 SER CA C 13 58.504 0.300 . 1 . . . . 93 SER CA . 10252 1 1023 . 1 1 93 93 SER CB C 13 63.933 0.300 . 1 . . . . 93 SER CB . 10252 1 1024 . 1 1 93 93 SER N N 15 116.068 0.300 . 1 . . . . 93 SER N . 10252 1 1025 . 1 1 94 94 TYR H H 1 8.146 0.030 . 1 . . . . 94 TYR H . 10252 1 1026 . 1 1 94 94 TYR HA H 1 4.658 0.030 . 1 . . . . 94 TYR HA . 10252 1 1027 . 1 1 94 94 TYR HB2 H 1 3.112 0.030 . 2 . . . . 94 TYR HB2 . 10252 1 1028 . 1 1 94 94 TYR HB3 H 1 3.021 0.030 . 2 . . . . 94 TYR HB3 . 10252 1 1029 . 1 1 94 94 TYR HD1 H 1 7.143 0.030 . 1 . . . . 94 TYR HD1 . 10252 1 1030 . 1 1 94 94 TYR HD2 H 1 7.143 0.030 . 1 . . . . 94 TYR HD2 . 10252 1 1031 . 1 1 94 94 TYR HE1 H 1 6.844 0.030 . 1 . . . . 94 TYR HE1 . 10252 1 1032 . 1 1 94 94 TYR HE2 H 1 6.844 0.030 . 1 . . . . 94 TYR HE2 . 10252 1 1033 . 1 1 94 94 TYR C C 13 176.011 0.300 . 1 . . . . 94 TYR C . 10252 1 1034 . 1 1 94 94 TYR CA C 13 58.135 0.300 . 1 . . . . 94 TYR CA . 10252 1 1035 . 1 1 94 94 TYR CB C 13 38.855 0.300 . 1 . . . . 94 TYR CB . 10252 1 1036 . 1 1 94 94 TYR CD1 C 13 133.312 0.300 . 1 . . . . 94 TYR CD1 . 10252 1 1037 . 1 1 94 94 TYR CD2 C 13 133.312 0.300 . 1 . . . . 94 TYR CD2 . 10252 1 1038 . 1 1 94 94 TYR CE1 C 13 118.275 0.300 . 1 . . . . 94 TYR CE1 . 10252 1 1039 . 1 1 94 94 TYR CE2 C 13 118.275 0.300 . 1 . . . . 94 TYR CE2 . 10252 1 1040 . 1 1 94 94 TYR N N 15 122.150 0.300 . 1 . . . . 94 TYR N . 10252 1 1041 . 1 1 95 95 THR H H 1 8.024 0.030 . 1 . . . . 95 THR H . 10252 1 1042 . 1 1 95 95 THR HA H 1 4.333 0.030 . 1 . . . . 95 THR HA . 10252 1 1043 . 1 1 95 95 THR HB H 1 4.211 0.030 . 1 . . . . 95 THR HB . 10252 1 1044 . 1 1 95 95 THR HG21 H 1 1.172 0.030 . 1 . . . . 95 THR HG2 . 10252 1 1045 . 1 1 95 95 THR HG22 H 1 1.172 0.030 . 1 . . . . 95 THR HG2 . 10252 1 1046 . 1 1 95 95 THR HG23 H 1 1.172 0.030 . 1 . . . . 95 THR HG2 . 10252 1 1047 . 1 1 95 95 THR C C 13 174.054 0.300 . 1 . . . . 95 THR C . 10252 1 1048 . 1 1 95 95 THR CA C 13 61.740 0.300 . 1 . . . . 95 THR CA . 10252 1 1049 . 1 1 95 95 THR CB C 13 69.977 0.300 . 1 . . . . 95 THR CB . 10252 1 1050 . 1 1 95 95 THR CG2 C 13 21.513 0.300 . 1 . . . . 95 THR CG2 . 10252 1 1051 . 1 1 95 95 THR N N 15 115.298 0.300 . 1 . . . . 95 THR N . 10252 1 1052 . 1 1 96 96 ASP H H 1 8.288 0.030 . 1 . . . . 96 ASP H . 10252 1 1053 . 1 1 96 96 ASP HA H 1 4.663 0.030 . 1 . . . . 96 ASP HA . 10252 1 1054 . 1 1 96 96 ASP HB2 H 1 2.683 0.030 . 2 . . . . 96 ASP HB2 . 10252 1 1055 . 1 1 96 96 ASP HB3 H 1 2.763 0.030 . 2 . . . . 96 ASP HB3 . 10252 1 1056 . 1 1 96 96 ASP C C 13 176.252 0.300 . 1 . . . . 96 ASP C . 10252 1 1057 . 1 1 96 96 ASP CA C 13 54.494 0.300 . 1 . . . . 96 ASP CA . 10252 1 1058 . 1 1 96 96 ASP CB C 13 41.404 0.300 . 1 . . . . 96 ASP CB . 10252 1 1059 . 1 1 96 96 ASP N N 15 122.969 0.300 . 1 . . . . 96 ASP N . 10252 1 1060 . 1 1 97 97 SER H H 1 8.272 0.030 . 1 . . . . 97 SER H . 10252 1 1061 . 1 1 97 97 SER HA H 1 4.500 0.030 . 1 . . . . 97 SER HA . 10252 1 1062 . 1 1 97 97 SER HB2 H 1 3.900 0.030 . 2 . . . . 97 SER HB2 . 10252 1 1063 . 1 1 97 97 SER C C 13 174.845 0.300 . 1 . . . . 97 SER C . 10252 1 1064 . 1 1 97 97 SER CA C 13 58.522 0.300 . 1 . . . . 97 SER CA . 10252 1 1065 . 1 1 97 97 SER CB C 13 63.656 0.300 . 1 . . . . 97 SER CB . 10252 1 1066 . 1 1 97 97 SER N N 15 116.137 0.300 . 1 . . . . 97 SER N . 10252 1 1067 . 1 1 98 98 GLY H H 1 8.289 0.030 . 1 . . . . 98 GLY H . 10252 1 1068 . 1 1 98 98 GLY HA2 H 1 4.123 0.030 . 1 . . . . 98 GLY HA2 . 10252 1 1069 . 1 1 98 98 GLY HA3 H 1 4.123 0.030 . 1 . . . . 98 GLY HA3 . 10252 1 1070 . 1 1 98 98 GLY C C 13 171.920 0.300 . 1 . . . . 98 GLY C . 10252 1 1071 . 1 1 98 98 GLY CA C 13 44.748 0.300 . 1 . . . . 98 GLY CA . 10252 1 1072 . 1 1 98 98 GLY N N 15 110.751 0.300 . 1 . . . . 98 GLY N . 10252 1 1073 . 1 1 99 99 PRO HA H 1 4.490 0.030 . 1 . . . . 99 PRO HA . 10252 1 1074 . 1 1 99 99 PRO HB2 H 1 2.301 0.030 . 1 . . . . 99 PRO HB2 . 10252 1 1075 . 1 1 99 99 PRO HB3 H 1 2.301 0.030 . 1 . . . . 99 PRO HB3 . 10252 1 1076 . 1 1 99 99 PRO HD2 H 1 3.639 0.030 . 1 . . . . 99 PRO HD2 . 10252 1 1077 . 1 1 99 99 PRO HD3 H 1 3.639 0.030 . 1 . . . . 99 PRO HD3 . 10252 1 1078 . 1 1 99 99 PRO HG2 H 1 2.033 0.030 . 1 . . . . 99 PRO HG2 . 10252 1 1079 . 1 1 99 99 PRO HG3 H 1 2.033 0.030 . 1 . . . . 99 PRO HG3 . 10252 1 1080 . 1 1 99 99 PRO CA C 13 63.373 0.300 . 1 . . . . 99 PRO CA . 10252 1 1081 . 1 1 99 99 PRO CB C 13 32.247 0.300 . 1 . . . . 99 PRO CB . 10252 1 1082 . 1 1 99 99 PRO CD C 13 49.897 0.300 . 1 . . . . 99 PRO CD . 10252 1 1083 . 1 1 99 99 PRO CG C 13 27.205 0.300 . 1 . . . . 99 PRO CG . 10252 1 stop_ save_