data_11031 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11031 _Entry.Title ; The solution structure of phtotactic transducer protein HtrII linker region from Natronomonas pharaonis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-02-20 _Entry.Accession_date 2008-02-20 _Entry.Last_release_date 2008-03-31 _Entry.Original_release_date 2008-03-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Kokoro Hayashi . . . 11031 2 Yuki Sudo . . . 11031 3 JunGoo Jee . . . 11031 4 Masaki Mishima . . . 11031 5 Hideyuki Hara . . . 11031 6 Naoki Kamo . . . 11031 7 Chojiro Kojima . . . 11031 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11031 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 243 11031 '15N chemical shifts' 66 11031 '1H chemical shifts' 389 11031 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-03-31 2008-02-20 original author . 11031 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2rm8 'Entry containing coordinate and constraints for this molecular system' 11031 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11031 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18001143 _Citation.Full_citation . _Citation.Title ; Structural Analysis of the Phototactic Transducer Protein HtrII Linker Region from Natoronomonas pharaonis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 46 _Citation.Journal_issue 50 _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 14380 _Citation.Page_last 14390 _Citation.Year 2007 _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 Kokoro Hayashi . . . 11031 1 2 Yuki Sudo . . . 11031 1 3 JunGoo Jee . . . 11031 1 4 Masaki Mishima . . . 11031 1 5 Hideyuki Hara . . . 11031 1 6 Naoki Kamo . . . 11031 1 7 Chojiro Kojima . . . 11031 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11031 _Assembly.ID 1 _Assembly.Name pHtrII _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 pHtrII(100-159) 1 $entity A . yes native no no . . . 11031 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11031 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name pHtrII(100-159) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGDGDLDVELETRREDEIGD LYAAFDEMRQSVRTSLEDAK NAREDAEQAQKRAEEINTEL LEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues UNP 100-159' _Entity.Polymer_author_seq_details 'Residues 160-167 represents a non-native affinity tag.' _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 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment pHtrII(100-159) _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7953.576 _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 2RM8 . "The Solution Structure Of Phototactic Transducer Protein Htrii Linker Region From Natronomonas Pharaonis" . . . . . 100.00 68 100.00 100.00 7.14e-39 . . . . 11031 1 2 no PDB 4GYC . 'Structure Of The Srii(d75n Mutant)/htrii Complex In I212121 Space Group ("u" Shape)' . . . . . 52.94 135 100.00 100.00 1.50e-15 . . . . 11031 1 3 no EMBL CAA84468 . "sensory rhodopsin II transducer [Natronomonas pharaonis]" . . . . . 88.24 534 100.00 100.00 1.15e-30 . . . . 11031 1 4 no EMBL CAI50507 . "sensory rhodopsin II transducer [Natronomonas pharaonis DSM 2160]" . . . . . 88.24 534 100.00 100.00 1.25e-30 . . . . 11031 1 5 no REF WP_049939883 . "sensory rhodopsin II transducer [Natronomonas pharaonis]" . . . . . 88.24 532 100.00 100.00 1.33e-30 . . . . 11031 1 6 no SP P42259 . "RecName: Full=Sensory rhodopsin II transducer; AltName: Full=HTR-II; AltName: Full=Methyl-accepting phototaxis protein II; Shor" . . . . . 88.24 534 100.00 100.00 1.15e-30 . . . . 11031 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID phototaxis 11031 1 'transducer protein' 11031 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 1 100 MET . 11031 1 2 101 GLY . 11031 1 3 102 ASP . 11031 1 4 103 GLY . 11031 1 5 104 ASP . 11031 1 6 105 LEU . 11031 1 7 106 ASP . 11031 1 8 107 VAL . 11031 1 9 108 GLU . 11031 1 10 109 LEU . 11031 1 11 110 GLU . 11031 1 12 111 THR . 11031 1 13 112 ARG . 11031 1 14 113 ARG . 11031 1 15 114 GLU . 11031 1 16 115 ASP . 11031 1 17 116 GLU . 11031 1 18 117 ILE . 11031 1 19 118 GLY . 11031 1 20 119 ASP . 11031 1 21 120 LEU . 11031 1 22 121 TYR . 11031 1 23 122 ALA . 11031 1 24 123 ALA . 11031 1 25 124 PHE . 11031 1 26 125 ASP . 11031 1 27 126 GLU . 11031 1 28 127 MET . 11031 1 29 128 ARG . 11031 1 30 129 GLN . 11031 1 31 130 SER . 11031 1 32 131 VAL . 11031 1 33 132 ARG . 11031 1 34 133 THR . 11031 1 35 134 SER . 11031 1 36 135 LEU . 11031 1 37 136 GLU . 11031 1 38 137 ASP . 11031 1 39 138 ALA . 11031 1 40 139 LYS . 11031 1 41 140 ASN . 11031 1 42 141 ALA . 11031 1 43 142 ARG . 11031 1 44 143 GLU . 11031 1 45 144 ASP . 11031 1 46 145 ALA . 11031 1 47 146 GLU . 11031 1 48 147 GLN . 11031 1 49 148 ALA . 11031 1 50 149 GLN . 11031 1 51 150 LYS . 11031 1 52 151 ARG . 11031 1 53 152 ALA . 11031 1 54 153 GLU . 11031 1 55 154 GLU . 11031 1 56 155 ILE . 11031 1 57 156 ASN . 11031 1 58 157 THR . 11031 1 59 158 GLU . 11031 1 60 159 LEU . 11031 1 61 160 LEU . 11031 1 62 161 GLU . 11031 1 63 162 HIS . 11031 1 64 163 HIS . 11031 1 65 164 HIS . 11031 1 66 165 HIS . 11031 1 67 166 HIS . 11031 1 68 167 HIS . 11031 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 . MET 1 1 11031 1 . GLY 2 2 11031 1 . ASP 3 3 11031 1 . GLY 4 4 11031 1 . ASP 5 5 11031 1 . LEU 6 6 11031 1 . ASP 7 7 11031 1 . VAL 8 8 11031 1 . GLU 9 9 11031 1 . LEU 10 10 11031 1 . GLU 11 11 11031 1 . THR 12 12 11031 1 . ARG 13 13 11031 1 . ARG 14 14 11031 1 . GLU 15 15 11031 1 . ASP 16 16 11031 1 . GLU 17 17 11031 1 . ILE 18 18 11031 1 . GLY 19 19 11031 1 . ASP 20 20 11031 1 . LEU 21 21 11031 1 . TYR 22 22 11031 1 . ALA 23 23 11031 1 . ALA 24 24 11031 1 . PHE 25 25 11031 1 . ASP 26 26 11031 1 . GLU 27 27 11031 1 . MET 28 28 11031 1 . ARG 29 29 11031 1 . GLN 30 30 11031 1 . SER 31 31 11031 1 . VAL 32 32 11031 1 . ARG 33 33 11031 1 . THR 34 34 11031 1 . SER 35 35 11031 1 . LEU 36 36 11031 1 . GLU 37 37 11031 1 . ASP 38 38 11031 1 . ALA 39 39 11031 1 . LYS 40 40 11031 1 . ASN 41 41 11031 1 . ALA 42 42 11031 1 . ARG 43 43 11031 1 . GLU 44 44 11031 1 . ASP 45 45 11031 1 . ALA 46 46 11031 1 . GLU 47 47 11031 1 . GLN 48 48 11031 1 . ALA 49 49 11031 1 . GLN 50 50 11031 1 . LYS 51 51 11031 1 . ARG 52 52 11031 1 . ALA 53 53 11031 1 . GLU 54 54 11031 1 . GLU 55 55 11031 1 . ILE 56 56 11031 1 . ASN 57 57 11031 1 . THR 58 58 11031 1 . GLU 59 59 11031 1 . LEU 60 60 11031 1 . LEU 61 61 11031 1 . GLU 62 62 11031 1 . HIS 63 63 11031 1 . HIS 64 64 11031 1 . HIS 65 65 11031 1 . HIS 66 66 11031 1 . HIS 67 67 11031 1 . HIS 68 68 11031 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 11031 _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 . 2257 organism . 'Natronomonas pharaonis' 'Natronomonas pharaonis' . . Archaea . Natronomonas pharaonis . . . . . . . . . . . . . . . . . . . . . 11031 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 11031 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21(DE3) . . . . . . . . . . . . vector . . pET21 . . . ; pHtrII(1-159) was expressed in E.coli, and pHtrII(100-159) was obtained by trypsin digestion. ; . . 11031 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11031 _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 pHtrII(100-159) '[U-100% 13C; U-100% 15N]' . . 1 $entity . . . 0.6 0.8 mM . . . . 11031 1 2 'citric acid' 'natural abundance' . . . . . . 10 . . mM . . . . 11031 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11031 1 4 H2O . . . . . . . 90 . . % . . . . 11031 1 5 D2O . . . . . . . 10 . . % . . . . 11031 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11031 _Sample.ID 2 _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 pHtrII(100-159) '[U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 11031 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11031 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11031 2 4 H2O . . . . . . . 90 . . % . . . . 11031 2 5 D2O . . . . . . . 10 . . % . . . . 11031 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11031 _Sample.ID 3 _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 pHtrII(100-159) '[U-100% 15N]' . . 1 $entity . . 0.8 . . mM . . . . 11031 3 2 'citric acid' 'natural abundance' . . . . . . 10 . . mM . . . . 11031 3 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 11031 3 4 H2O . . . . . . . 90 . . % . . . . 11031 3 5 D2O . . . . . . . 10 . . % . . . . 11031 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11031 _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' 0.05 . M 11031 1 pH 5.0 . pH 11031 1 pressure 1 . atm 11031 1 temperature 277 . K 11031 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11031 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11031 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11031 1 'structure solution' 11031 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11031 _Software.ID 2 _Software.Name AMBER _Software.Version 9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11031 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11031 2 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 11031 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 11031 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 800 . . . 11031 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 11031 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 4 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 6 '3D H(CACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11031 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11031 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 11031 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11031 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 11031 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11031 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11031 1 2 '3D HNCACB' 1 $sample_1 isotropic 11031 1 3 '3D HN(CO)CACB' 1 $sample_1 isotropic 11031 1 4 '3D HNCACO' 1 $sample_1 isotropic 11031 1 5 '3D HNCO' 1 $sample_1 isotropic 11031 1 6 '3D H(CACO)NH' 1 $sample_1 isotropic 11031 1 7 '3D C(CO)NH' 1 $sample_1 isotropic 11031 1 8 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 11031 1 9 '3D HCCH-TOCSY' 1 $sample_1 isotropic 11031 1 10 '3D 1H-15N NOESY' 3 $sample_3 isotropic 11031 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.866 0.02 . 1 . . . . 100 MET HA . 11031 1 2 . 1 1 1 1 MET HB2 H 1 1.838 0.02 . 2 . . . . 100 MET HB2 . 11031 1 3 . 1 1 1 1 MET HG2 H 1 2.284 0.02 . 2 . . . . 100 MET HG2 . 11031 1 4 . 1 1 1 1 MET C C 13 172.61 0.3 . 1 . . . . 100 MET C . 11031 1 5 . 1 1 1 1 MET CA C 13 54.73 0.3 . 1 . . . . 100 MET CA . 11031 1 6 . 1 1 1 1 MET CB C 13 32.32 0.3 . 1 . . . . 100 MET CB . 11031 1 7 . 1 1 1 1 MET CG C 13 30.40 0.3 . 1 . . . . 100 MET CG . 11031 1 8 . 1 1 2 2 GLY H H 1 8.654 0.02 . 1 . . . . 101 GLY H . 11031 1 9 . 1 1 2 2 GLY HA2 H 1 3.678 0.02 . 2 . . . . 101 GLY HA2 . 11031 1 10 . 1 1 2 2 GLY HA3 H 1 3.694 0.02 . 2 . . . . 101 GLY HA3 . 11031 1 11 . 1 1 2 2 GLY C C 13 173.49 0.3 . 1 . . . . 101 GLY C . 11031 1 12 . 1 1 2 2 GLY CA C 13 44.88 0.3 . 1 . . . . 101 GLY CA . 11031 1 13 . 1 1 2 2 GLY N N 15 112.3 0.4 . 1 . . . . 101 GLY N . 11031 1 14 . 1 1 3 3 ASP H H 1 8.306 0.02 . 1 . . . . 102 ASP H . 11031 1 15 . 1 1 3 3 ASP HA H 1 4.232 0.02 . 1 . . . . 102 ASP HA . 11031 1 16 . 1 1 3 3 ASP HB2 H 1 2.357 0.02 . 2 . . . . 102 ASP HB2 . 11031 1 17 . 1 1 3 3 ASP HB3 H 1 2.279 0.02 . 2 . . . . 102 ASP HB3 . 11031 1 18 . 1 1 3 3 ASP C C 13 176.64 0.3 . 1 . . . . 102 ASP C . 11031 1 19 . 1 1 3 3 ASP CA C 13 54.41 0.3 . 1 . . . . 102 ASP CA . 11031 1 20 . 1 1 3 3 ASP CB C 13 40.64 0.3 . 1 . . . . 102 ASP CB . 11031 1 21 . 1 1 3 3 ASP N N 15 120.5 0.4 . 1 . . . . 102 ASP N . 11031 1 22 . 1 1 4 4 GLY H H 1 8.308 0.02 . 1 . . . . 103 GLY H . 11031 1 23 . 1 1 4 4 GLY HA2 H 1 3.738 0.02 . 2 . . . . 103 GLY HA2 . 11031 1 24 . 1 1 4 4 GLY HA3 H 1 3.894 0.02 . 2 . . . . 103 GLY HA3 . 11031 1 25 . 1 1 4 4 GLY C C 13 173.91 0.3 . 1 . . . . 103 GLY C . 11031 1 26 . 1 1 4 4 GLY CA C 13 45.13 0.3 . 1 . . . . 103 GLY CA . 11031 1 27 . 1 1 4 4 GLY N N 15 110.3 0.4 . 1 . . . . 103 GLY N . 11031 1 28 . 1 1 5 5 ASP H H 1 7.893 0.02 . 1 . . . . 104 ASP H . 11031 1 29 . 1 1 5 5 ASP HA H 1 4.236 0.02 . 1 . . . . 104 ASP HA . 11031 1 30 . 1 1 5 5 ASP HB2 H 1 2.377 0.02 . 2 . . . . 104 ASP HB2 . 11031 1 31 . 1 1 5 5 ASP HB3 H 1 2.269 0.02 . 2 . . . . 104 ASP HB3 . 11031 1 32 . 1 1 5 5 ASP C C 13 176.04 0.3 . 1 . . . . 104 ASP C . 11031 1 33 . 1 1 5 5 ASP CA C 13 54.14 0.3 . 1 . . . . 104 ASP CA . 11031 1 34 . 1 1 5 5 ASP CB C 13 40.57 0.3 . 1 . . . . 104 ASP CB . 11031 1 35 . 1 1 5 5 ASP N N 15 120.3 0.4 . 1 . . . . 104 ASP N . 11031 1 36 . 1 1 6 6 LEU H H 1 7.964 0.02 . 1 . . . . 105 LEU H . 11031 1 37 . 1 1 6 6 LEU HA H 1 3.970 0.02 . 1 . . . . 105 LEU HA . 11031 1 38 . 1 1 6 6 LEU HB2 H 1 1.299 0.02 . 2 . . . . 105 LEU HB2 . 11031 1 39 . 1 1 6 6 LEU HB3 H 1 1.245 0.02 . 2 . . . . 105 LEU HB3 . 11031 1 40 . 1 1 6 6 LEU HG H 1 1.561 0.02 . 1 . . . . 105 LEU HG . 11031 1 41 . 1 1 6 6 LEU HD11 H 1 0.5567 0.02 . 2 . . . . 105 LEU MD1 . 11031 1 42 . 1 1 6 6 LEU HD12 H 1 0.5567 0.02 . 2 . . . . 105 LEU MD1 . 11031 1 43 . 1 1 6 6 LEU HD13 H 1 0.5567 0.02 . 2 . . . . 105 LEU MD1 . 11031 1 44 . 1 1 6 6 LEU HD21 H 1 0.5182 0.02 . 2 . . . . 105 LEU MD2 . 11031 1 45 . 1 1 6 6 LEU HD22 H 1 0.5182 0.02 . 2 . . . . 105 LEU MD2 . 11031 1 46 . 1 1 6 6 LEU HD23 H 1 0.5182 0.02 . 2 . . . . 105 LEU MD2 . 11031 1 47 . 1 1 6 6 LEU C C 13 176.95 0.3 . 1 . . . . 105 LEU C . 11031 1 48 . 1 1 6 6 LEU CA C 13 54.96 0.3 . 1 . . . . 105 LEU CA . 11031 1 49 . 1 1 6 6 LEU CB C 13 41.87 0.3 . 1 . . . . 105 LEU CB . 11031 1 50 . 1 1 6 6 LEU CG C 13 26.46 0.3 . 1 . . . . 105 LEU CG . 11031 1 51 . 1 1 6 6 LEU CD1 C 13 24.30 0.3 . 2 . . . . 105 LEU CD1 . 11031 1 52 . 1 1 6 6 LEU CD2 C 13 22.93 0.3 . 2 . . . . 105 LEU CD2 . 11031 1 53 . 1 1 6 6 LEU N N 15 121.7 0.4 . 1 . . . . 105 LEU N . 11031 1 54 . 1 1 7 7 ASP H H 1 8.110 0.02 . 1 . . . . 106 ASP H . 11031 1 55 . 1 1 7 7 ASP HA H 1 4.252 0.02 . 1 . . . . 106 ASP HA . 11031 1 56 . 1 1 7 7 ASP HB2 H 1 2.321 0.02 . 2 . . . . 106 ASP HB2 . 11031 1 57 . 1 1 7 7 ASP HB3 H 1 2.333 0.02 . 2 . . . . 106 ASP HB3 . 11031 1 58 . 1 1 7 7 ASP C C 13 176.05 0.3 . 1 . . . . 106 ASP C . 11031 1 59 . 1 1 7 7 ASP CA C 13 54.02 0.3 . 1 . . . . 106 ASP CA . 11031 1 60 . 1 1 7 7 ASP CB C 13 40.63 0.3 . 1 . . . . 106 ASP CB . 11031 1 61 . 1 1 7 7 ASP N N 15 121.5 0.4 . 1 . . . . 106 ASP N . 11031 1 62 . 1 1 8 8 VAL H H 1 7.779 0.02 . 1 . . . . 107 VAL H . 11031 1 63 . 1 1 8 8 VAL HA H 1 3.720 0.02 . 1 . . . . 107 VAL HA . 11031 1 64 . 1 1 8 8 VAL HB H 1 1.746 0.02 . 1 . . . . 107 VAL HB . 11031 1 65 . 1 1 8 8 VAL HG11 H 1 0.5852 0.02 . 2 . . . . 107 VAL MG1 . 11031 1 66 . 1 1 8 8 VAL HG12 H 1 0.5852 0.02 . 2 . . . . 107 VAL MG1 . 11031 1 67 . 1 1 8 8 VAL HG13 H 1 0.5852 0.02 . 2 . . . . 107 VAL MG1 . 11031 1 68 . 1 1 8 8 VAL HG21 H 1 0.597 0.02 . 2 . . . . 107 VAL MG2 . 11031 1 69 . 1 1 8 8 VAL HG22 H 1 0.597 0.02 . 2 . . . . 107 VAL MG2 . 11031 1 70 . 1 1 8 8 VAL HG23 H 1 0.597 0.02 . 2 . . . . 107 VAL MG2 . 11031 1 71 . 1 1 8 8 VAL C C 13 176.10 0.3 . 1 . . . . 107 VAL C . 11031 1 72 . 1 1 8 8 VAL CA C 13 62.24 0.3 . 1 . . . . 107 VAL CA . 11031 1 73 . 1 1 8 8 VAL CB C 13 32.28 0.3 . 1 . . . . 107 VAL CB . 11031 1 74 . 1 1 8 8 VAL CG1 C 13 20.32 0.3 . 2 . . . . 107 VAL CG1 . 11031 1 75 . 1 1 8 8 VAL CG2 C 13 19.94 0.3 . 2 . . . . 107 VAL CG2 . 11031 1 76 . 1 1 8 8 VAL N N 15 120.3 0.4 . 1 . . . . 107 VAL N . 11031 1 77 . 1 1 9 9 GLU H H 1 8.219 0.02 . 1 . . . . 108 GLU H . 11031 1 78 . 1 1 9 9 GLU HA H 1 3.907 0.02 . 1 . . . . 108 GLU HA . 11031 1 79 . 1 1 9 9 GLU HB2 H 1 1.667 0.02 . 2 . . . . 108 GLU HB2 . 11031 1 80 . 1 1 9 9 GLU HB3 H 1 1.617 0.02 . 2 . . . . 108 GLU HB3 . 11031 1 81 . 1 1 9 9 GLU HG2 H 1 1.926 0.02 . 2 . . . . 108 GLU HG2 . 11031 1 82 . 1 1 9 9 GLU HG3 H 1 1.951 0.02 . 2 . . . . 108 GLU HG3 . 11031 1 83 . 1 1 9 9 GLU C C 13 176.37 0.3 . 1 . . . . 108 GLU C . 11031 1 84 . 1 1 9 9 GLU CA C 13 56.24 0.3 . 1 . . . . 108 GLU CA . 11031 1 85 . 1 1 9 9 GLU CB C 13 29.55 0.3 . 1 . . . . 108 GLU CB . 11031 1 86 . 1 1 9 9 GLU CG C 13 32.80 0.3 . 1 . . . . 108 GLU CG . 11031 1 87 . 1 1 9 9 GLU N N 15 124.1 0.4 . 1 . . . . 108 GLU N . 11031 1 88 . 1 1 10 10 LEU H H 1 8.015 0.02 . 1 . . . . 109 LEU H . 11031 1 89 . 1 1 10 10 LEU HA H 1 3.933 0.02 . 1 . . . . 109 LEU HA . 11031 1 90 . 1 1 10 10 LEU HB2 H 1 1.314 0.02 . 2 . . . . 109 LEU HB2 . 11031 1 91 . 1 1 10 10 LEU HB3 H 1 1.235 0.02 . 2 . . . . 109 LEU HB3 . 11031 1 92 . 1 1 10 10 LEU HG H 1 1.685 0.02 . 1 . . . . 109 LEU HG . 11031 1 93 . 1 1 10 10 LEU HD11 H 1 0.5872 0.02 . 2 . . . . 109 LEU MD1 . 11031 1 94 . 1 1 10 10 LEU HD12 H 1 0.5872 0.02 . 2 . . . . 109 LEU MD1 . 11031 1 95 . 1 1 10 10 LEU HD13 H 1 0.5872 0.02 . 2 . . . . 109 LEU MD1 . 11031 1 96 . 1 1 10 10 LEU HD21 H 1 0.5168 0.02 . 2 . . . . 109 LEU MD2 . 11031 1 97 . 1 1 10 10 LEU HD22 H 1 0.5168 0.02 . 2 . . . . 109 LEU MD2 . 11031 1 98 . 1 1 10 10 LEU HD23 H 1 0.5168 0.02 . 2 . . . . 109 LEU MD2 . 11031 1 99 . 1 1 10 10 LEU C C 13 177.39 0.3 . 1 . . . . 109 LEU C . 11031 1 100 . 1 1 10 10 LEU CA C 13 55.01 0.3 . 1 . . . . 109 LEU CA . 11031 1 101 . 1 1 10 10 LEU CB C 13 41.96 0.3 . 1 . . . . 109 LEU CB . 11031 1 102 . 1 1 10 10 LEU CG C 13 26.46 0.3 . 1 . . . . 109 LEU CG . 11031 1 103 . 1 1 10 10 LEU CD1 C 13 24.31 0.3 . 2 . . . . 109 LEU CD1 . 11031 1 104 . 1 1 10 10 LEU CD2 C 13 22.87 0.3 . 2 . . . . 109 LEU CD2 . 11031 1 105 . 1 1 10 10 LEU N N 15 123.2 0.4 . 1 . . . . 109 LEU N . 11031 1 106 . 1 1 11 11 GLU H H 1 8.160 0.02 . 1 . . . . 110 GLU H . 11031 1 107 . 1 1 11 11 GLU HA H 1 3.950 0.02 . 1 . . . . 110 GLU HA . 11031 1 108 . 1 1 11 11 GLU HB2 H 1 1.692 0.02 . 2 . . . . 110 GLU HB2 . 11031 1 109 . 1 1 11 11 GLU HB3 H 1 1.651 0.02 . 2 . . . . 110 GLU HB3 . 11031 1 110 . 1 1 11 11 GLU HG2 H 1 1.936 0.02 . 2 . . . . 110 GLU HG2 . 11031 1 111 . 1 1 11 11 GLU HG3 H 1 1.948 0.02 . 2 . . . . 110 GLU HG3 . 11031 1 112 . 1 1 11 11 GLU C C 13 176.43 0.3 . 1 . . . . 110 GLU C . 11031 1 113 . 1 1 11 11 GLU CA C 13 56.30 0.3 . 1 . . . . 110 GLU CA . 11031 1 114 . 1 1 11 11 GLU CB C 13 29.90 0.3 . 1 . . . . 110 GLU CB . 11031 1 115 . 1 1 11 11 GLU CG C 13 35.61 0.3 . 1 . . . . 110 GLU CG . 11031 1 116 . 1 1 11 11 GLU N N 15 121.5 0.4 . 1 . . . . 110 GLU N . 11031 1 117 . 1 1 12 12 THR H H 1 7.977 0.02 . 1 . . . . 111 THR H . 11031 1 118 . 1 1 12 12 THR HA H 1 3.918 0.02 . 1 . . . . 111 THR HA . 11031 1 119 . 1 1 12 12 THR HB H 1 3.816 0.02 . 1 . . . . 111 THR HB . 11031 1 120 . 1 1 12 12 THR HG21 H 1 0.858 0.02 . 1 . . . . 111 THR MG . 11031 1 121 . 1 1 12 12 THR HG22 H 1 0.858 0.02 . 1 . . . . 111 THR MG . 11031 1 122 . 1 1 12 12 THR HG23 H 1 0.858 0.02 . 1 . . . . 111 THR MG . 11031 1 123 . 1 1 12 12 THR C C 13 174.18 0.3 . 1 . . . . 111 THR C . 11031 1 124 . 1 1 12 12 THR CA C 13 61.97 0.3 . 1 . . . . 111 THR CA . 11031 1 125 . 1 1 12 12 THR CB C 13 69.47 0.3 . 1 . . . . 111 THR CB . 11031 1 126 . 1 1 12 12 THR CG2 C 13 21.35 0.3 . 1 . . . . 111 THR CG2 . 11031 1 127 . 1 1 12 12 THR N N 15 116.3 0.4 . 1 . . . . 111 THR N . 11031 1 128 . 1 1 13 13 ARG H H 1 8.198 0.02 . 1 . . . . 112 ARG H . 11031 1 129 . 1 1 13 13 ARG HA H 1 3.973 0.02 . 1 . . . . 112 ARG HA . 11031 1 130 . 1 1 13 13 ARG HB2 H 1 1.473 0.02 . 2 . . . . 112 ARG HB2 . 11031 1 131 . 1 1 13 13 ARG HB3 H 1 1.467 0.02 . 2 . . . . 112 ARG HB3 . 11031 1 132 . 1 1 13 13 ARG HG2 H 1 1.276 0.02 . 2 . . . . 112 ARG HG2 . 11031 1 133 . 1 1 13 13 ARG HG3 H 1 1.262 0.02 . 2 . . . . 112 ARG HG3 . 11031 1 134 . 1 1 13 13 ARG HD2 H 1 2.804 0.02 . 2 . . . . 112 ARG HD2 . 11031 1 135 . 1 1 13 13 ARG HD3 H 1 2.824 0.02 . 2 . . . . 112 ARG HD3 . 11031 1 136 . 1 1 13 13 ARG C C 13 176.11 0.3 . 1 . . . . 112 ARG C . 11031 1 137 . 1 1 13 13 ARG CA C 13 55.97 0.3 . 1 . . . . 112 ARG CA . 11031 1 138 . 1 1 13 13 ARG CB C 13 30.47 0.3 . 1 . . . . 112 ARG CB . 11031 1 139 . 1 1 13 13 ARG CG C 13 26.56 0.3 . 1 . . . . 112 ARG CG . 11031 1 140 . 1 1 13 13 ARG N N 15 124.4 0.4 . 1 . . . . 112 ARG N . 11031 1 141 . 1 1 14 14 ARG H H 1 8.373 0.02 . 1 . . . . 113 ARG H . 11031 1 142 . 1 1 14 14 ARG HA H 1 3.952 0.02 . 1 . . . . 113 ARG HA . 11031 1 143 . 1 1 14 14 ARG HB2 H 1 1.477 0.02 . 2 . . . . 113 ARG HB2 . 11031 1 144 . 1 1 14 14 ARG HB3 H 1 1.528 0.02 . 2 . . . . 113 ARG HB3 . 11031 1 145 . 1 1 14 14 ARG HG2 H 1 1.286 0.02 . 2 . . . . 113 ARG HG2 . 11031 1 146 . 1 1 14 14 ARG HG3 H 1 1.313 0.02 . 2 . . . . 113 ARG HG3 . 11031 1 147 . 1 1 14 14 ARG HD2 H 1 2.834 0.02 . 2 . . . . 113 ARG HD2 . 11031 1 148 . 1 1 14 14 ARG HD3 H 1 2.842 0.02 . 2 . . . . 113 ARG HD3 . 11031 1 149 . 1 1 14 14 ARG C C 13 176.24 0.3 . 1 . . . . 113 ARG C . 11031 1 150 . 1 1 14 14 ARG CA C 13 56.04 0.3 . 1 . . . . 113 ARG CA . 11031 1 151 . 1 1 14 14 ARG CB C 13 30.57 0.3 . 1 . . . . 113 ARG CB . 11031 1 152 . 1 1 14 14 ARG CG C 13 26.42 0.3 . 1 . . . . 113 ARG CG . 11031 1 153 . 1 1 14 14 ARG CD C 13 42.39 0.3 . 1 . . . . 113 ARG CD . 11031 1 154 . 1 1 14 14 ARG N N 15 123.6 0.4 . 1 . . . . 113 ARG N . 11031 1 155 . 1 1 15 15 GLU H H 1 8.479 0.02 . 1 . . . . 114 GLU H . 11031 1 156 . 1 1 15 15 GLU HA H 1 3.861 0.02 . 1 . . . . 114 GLU HA . 11031 1 157 . 1 1 15 15 GLU HB2 H 1 1.681 0.02 . 2 . . . . 114 GLU HB2 . 11031 1 158 . 1 1 15 15 GLU HB3 H 1 1.657 0.02 . 2 . . . . 114 GLU HB3 . 11031 1 159 . 1 1 15 15 GLU HG2 H 1 1.958 0.02 . 2 . . . . 114 GLU HG2 . 11031 1 160 . 1 1 15 15 GLU HG3 H 1 1.931 0.02 . 2 . . . . 114 GLU HG3 . 11031 1 161 . 1 1 15 15 GLU C C 13 176.24 0.3 . 1 . . . . 114 GLU C . 11031 1 162 . 1 1 15 15 GLU CA C 13 57.04 0.3 . 1 . . . . 114 GLU CA . 11031 1 163 . 1 1 15 15 GLU CB C 13 32.93 0.3 . 1 . . . . 114 GLU CB . 11031 1 164 . 1 1 15 15 GLU CG C 13 35.66 0.3 . 1 . . . . 114 GLU CG . 11031 1 165 . 1 1 15 15 GLU N N 15 121.8 0.4 . 1 . . . . 114 GLU N . 11031 1 166 . 1 1 16 16 ASP H H 1 8.096 0.02 . 1 . . . . 115 ASP H . 11031 1 167 . 1 1 16 16 ASP HA H 1 4.209 0.02 . 1 . . . . 115 ASP HA . 11031 1 168 . 1 1 16 16 ASP HB2 H 1 2.334 0.02 . 2 . . . . 115 ASP HB2 . 11031 1 169 . 1 1 16 16 ASP HB3 H 1 2.323 0.02 . 2 . . . . 115 ASP HB3 . 11031 1 170 . 1 1 16 16 ASP C C 13 175.99 0.3 . 1 . . . . 115 ASP C . 11031 1 171 . 1 1 16 16 ASP CA C 13 54.02 0.3 . 1 . . . . 115 ASP CA . 11031 1 172 . 1 1 16 16 ASP CB C 13 40.38 0.3 . 1 . . . . 115 ASP CB . 11031 1 173 . 1 1 16 16 ASP N N 15 119.7 0.4 . 1 . . . . 115 ASP N . 11031 1 174 . 1 1 17 17 GLU H H 1 7.926 0.02 . 1 . . . . 116 GLU H . 11031 1 175 . 1 1 17 17 GLU HA H 1 3.920 0.02 . 1 . . . . 116 GLU HA . 11031 1 176 . 1 1 17 17 GLU HB2 H 1 1.618 0.02 . 2 . . . . 116 GLU HB2 . 11031 1 177 . 1 1 17 17 GLU HB3 H 1 1.684 0.02 . 2 . . . . 116 GLU HB3 . 11031 1 178 . 1 1 17 17 GLU HG2 H 1 1.899 0.02 . 2 . . . . 116 GLU HG2 . 11031 1 179 . 1 1 17 17 GLU HG3 H 1 1.942 0.02 . 2 . . . . 116 GLU HG3 . 11031 1 180 . 1 1 17 17 GLU C C 13 176.39 0.3 . 1 . . . . 116 GLU C . 11031 1 181 . 1 1 17 17 GLU CA C 13 56.15 0.3 . 1 . . . . 116 GLU CA . 11031 1 182 . 1 1 17 17 GLU CB C 13 29.93 0.3 . 1 . . . . 116 GLU CB . 11031 1 183 . 1 1 17 17 GLU CG C 13 35.70 0.3 . 1 . . . . 116 GLU CG . 11031 1 184 . 1 1 17 17 GLU N N 15 120.7 0.4 . 1 . . . . 116 GLU N . 11031 1 185 . 1 1 18 18 ILE H H 1 7.923 0.02 . 1 . . . . 117 ILE H . 11031 1 186 . 1 1 18 18 ILE HA H 1 3.765 0.02 . 1 . . . . 117 ILE HA . 11031 1 187 . 1 1 18 18 ILE HB H 1 1.550 0.02 . 1 . . . . 117 ILE HB . 11031 1 188 . 1 1 18 18 ILE HG12 H 1 0.5674 0.02 . 2 . . . . 117 ILE HG12 . 11031 1 189 . 1 1 18 18 ILE HG13 H 1 1.137 0.02 . 2 . . . . 117 ILE HG13 . 11031 1 190 . 1 1 18 18 ILE HG21 H 1 0.706 0.02 . 1 . . . . 117 ILE MG . 11031 1 191 . 1 1 18 18 ILE HG22 H 1 0.706 0.02 . 1 . . . . 117 ILE MG . 11031 1 192 . 1 1 18 18 ILE HG23 H 1 0.706 0.02 . 1 . . . . 117 ILE MG . 11031 1 193 . 1 1 18 18 ILE HD11 H 1 0.550 0.02 . 1 . . . . 117 ILE MD . 11031 1 194 . 1 1 18 18 ILE HD12 H 1 0.550 0.02 . 1 . . . . 117 ILE MD . 11031 1 195 . 1 1 18 18 ILE HD13 H 1 0.550 0.02 . 1 . . . . 117 ILE MD . 11031 1 196 . 1 1 18 18 ILE C C 13 176.71 0.3 . 1 . . . . 117 ILE C . 11031 1 197 . 1 1 18 18 ILE CA C 13 61.41 0.3 . 1 . . . . 117 ILE CA . 11031 1 198 . 1 1 18 18 ILE CB C 13 38.21 0.3 . 1 . . . . 117 ILE CB . 11031 1 199 . 1 1 18 18 ILE CG1 C 13 27.04 0.3 . 1 . . . . 117 ILE CG1 . 11031 1 200 . 1 1 18 18 ILE CG2 C 13 17.12 0.3 . 1 . . . . 117 ILE CG2 . 11031 1 201 . 1 1 18 18 ILE CD1 C 13 12.59 0.3 . 1 . . . . 117 ILE CD1 . 11031 1 202 . 1 1 18 18 ILE N N 15 121.4 0.4 . 1 . . . . 117 ILE N . 11031 1 203 . 1 1 19 19 GLY H H 1 8.172 0.02 . 1 . . . . 118 GLY H . 11031 1 204 . 1 1 19 19 GLY HA2 H 1 3.592 0.02 . 2 . . . . 118 GLY HA2 . 11031 1 205 . 1 1 19 19 GLY HA3 H 1 3.581 0.02 . 2 . . . . 118 GLY HA3 . 11031 1 206 . 1 1 19 19 GLY C C 13 173.75 0.3 . 1 . . . . 118 GLY C . 11031 1 207 . 1 1 19 19 GLY CA C 13 44.97 0.3 . 1 . . . . 118 GLY CA . 11031 1 208 . 1 1 19 19 GLY N N 15 111.8 0.4 . 1 . . . . 118 GLY N . 11031 1 209 . 1 1 20 20 ASP H H 1 8.010 0.02 . 1 . . . . 119 ASP H . 11031 1 210 . 1 1 20 20 ASP HA H 1 4.228 0.02 . 1 . . . . 119 ASP HA . 11031 1 211 . 1 1 20 20 ASP HB2 H 1 2.327 0.02 . 2 . . . . 119 ASP HB2 . 11031 1 212 . 1 1 20 20 ASP HB3 H 1 2.276 0.02 . 2 . . . . 119 ASP HB3 . 11031 1 213 . 1 1 20 20 ASP C C 13 176.52 0.3 . 1 . . . . 119 ASP C . 11031 1 214 . 1 1 20 20 ASP CA C 13 54.05 0.3 . 1 . . . . 119 ASP CA . 11031 1 215 . 1 1 20 20 ASP CB C 13 40.58 0.3 . 1 . . . . 119 ASP CB . 11031 1 216 . 1 1 20 20 ASP N N 15 120.5 0.4 . 1 . . . . 119 ASP N . 11031 1 217 . 1 1 21 21 LEU H H 1 7.956 0.02 . 1 . . . . 120 LEU H . 11031 1 218 . 1 1 21 21 LEU HA H 1 3.816 0.02 . 1 . . . . 120 LEU HA . 11031 1 219 . 1 1 21 21 LEU HB2 H 1 1.140 0.02 . 2 . . . . 120 LEU HB2 . 11031 1 220 . 1 1 21 21 LEU HB3 H 1 1.014 0.02 . 2 . . . . 120 LEU HB3 . 11031 1 221 . 1 1 21 21 LEU HG H 1 1.127 0.02 . 1 . . . . 120 LEU HG . 11031 1 222 . 1 1 21 21 LEU HD11 H 1 0.5927 0.02 . 2 . . . . 120 LEU MD1 . 11031 1 223 . 1 1 21 21 LEU HD12 H 1 0.5927 0.02 . 2 . . . . 120 LEU MD1 . 11031 1 224 . 1 1 21 21 LEU HD13 H 1 0.5927 0.02 . 2 . . . . 120 LEU MD1 . 11031 1 225 . 1 1 21 21 LEU HD21 H 1 0.7137 0.02 . 2 . . . . 120 LEU MD2 . 11031 1 226 . 1 1 21 21 LEU HD22 H 1 0.7137 0.02 . 2 . . . . 120 LEU MD2 . 11031 1 227 . 1 1 21 21 LEU HD23 H 1 0.7137 0.02 . 2 . . . . 120 LEU MD2 . 11031 1 228 . 1 1 21 21 LEU C C 13 177.31 0.3 . 1 . . . . 120 LEU C . 11031 1 229 . 1 1 21 21 LEU CA C 13 55.56 0.3 . 1 . . . . 120 LEU CA . 11031 1 230 . 1 1 21 21 LEU CB C 13 41.68 0.3 . 1 . . . . 120 LEU CB . 11031 1 231 . 1 1 21 21 LEU CG C 13 26.55 0.3 . 1 . . . . 120 LEU CG . 11031 1 232 . 1 1 21 21 LEU CD1 C 13 23.23 0.3 . 2 . . . . 120 LEU CD1 . 11031 1 233 . 1 1 21 21 LEU CD2 C 13 22.88 0.3 . 2 . . . . 120 LEU CD2 . 11031 1 234 . 1 1 21 21 LEU N N 15 122.5 0.4 . 1 . . . . 120 LEU N . 11031 1 235 . 1 1 22 22 TYR H H 1 7.887 0.02 . 1 . . . . 121 TYR H . 11031 1 236 . 1 1 22 22 TYR HA H 1 4.120 0.02 . 1 . . . . 121 TYR HA . 11031 1 237 . 1 1 22 22 TYR HB2 H 1 2.572 0.02 . 2 . . . . 121 TYR HB2 . 11031 1 238 . 1 1 22 22 TYR HB3 H 1 2.722 0.02 . 2 . . . . 121 TYR HB3 . 11031 1 239 . 1 1 22 22 TYR C C 13 175.61 0.3 . 1 . . . . 121 TYR C . 11031 1 240 . 1 1 22 22 TYR CA C 13 57.74 0.3 . 1 . . . . 121 TYR CA . 11031 1 241 . 1 1 22 22 TYR CB C 13 38.17 0.3 . 1 . . . . 121 TYR CB . 11031 1 242 . 1 1 22 22 TYR N N 15 119.4 0.4 . 1 . . . . 121 TYR N . 11031 1 243 . 1 1 23 23 ALA H H 1 7.694 0.02 . 1 . . . . 122 ALA H . 11031 1 244 . 1 1 23 23 ALA HA H 1 3.863 0.02 . 1 . . . . 122 ALA HA . 11031 1 245 . 1 1 23 23 ALA HB1 H 1 0.9988 0.02 . 1 . . . . 122 ALA MB . 11031 1 246 . 1 1 23 23 ALA HB2 H 1 0.9988 0.02 . 1 . . . . 122 ALA MB . 11031 1 247 . 1 1 23 23 ALA HB3 H 1 0.9988 0.02 . 1 . . . . 122 ALA MB . 11031 1 248 . 1 1 23 23 ALA C C 13 177.27 0.3 . 1 . . . . 122 ALA C . 11031 1 249 . 1 1 23 23 ALA CA C 13 52.50 0.3 . 1 . . . . 122 ALA CA . 11031 1 250 . 1 1 23 23 ALA CB C 13 18.80 0.3 . 1 . . . . 122 ALA CB . 11031 1 251 . 1 1 23 23 ALA N N 15 124.8 0.4 . 1 . . . . 122 ALA N . 11031 1 252 . 1 1 24 24 ALA H H 1 7.886 0.02 . 1 . . . . 123 ALA H . 11031 1 253 . 1 1 24 24 ALA HA H 1 3.860 0.02 . 1 . . . . 123 ALA HA . 11031 1 254 . 1 1 24 24 ALA HB1 H 1 0.9792 0.02 . 1 . . . . 123 ALA MB . 11031 1 255 . 1 1 24 24 ALA HB2 H 1 0.9792 0.02 . 1 . . . . 123 ALA MB . 11031 1 256 . 1 1 24 24 ALA HB3 H 1 0.9792 0.02 . 1 . . . . 123 ALA MB . 11031 1 257 . 1 1 24 24 ALA C C 13 177.70 0.3 . 1 . . . . 123 ALA C . 11031 1 258 . 1 1 24 24 ALA CA C 13 52.45 0.3 . 1 . . . . 123 ALA CA . 11031 1 259 . 1 1 24 24 ALA CB C 13 18.64 0.3 . 1 . . . . 123 ALA CB . 11031 1 260 . 1 1 24 24 ALA N N 15 122.3 0.4 . 1 . . . . 123 ALA N . 11031 1 261 . 1 1 25 25 PHE H H 1 7.9904 0.02 . 1 . . . . 124 PHE H . 11031 1 262 . 1 1 25 25 PHE HA H 1 4.159 0.02 . 1 . . . . 124 PHE HA . 11031 1 263 . 1 1 25 25 PHE HB2 H 1 2.771 0.02 . 2 . . . . 124 PHE HB2 . 11031 1 264 . 1 1 25 25 PHE HB3 H 1 2.759 0.02 . 2 . . . . 124 PHE HB3 . 11031 1 265 . 1 1 25 25 PHE C C 13 175.58 0.3 . 1 . . . . 124 PHE C . 11031 1 266 . 1 1 25 25 PHE CA C 13 57.83 0.3 . 1 . . . . 124 PHE CA . 11031 1 267 . 1 1 25 25 PHE CB C 13 38.84 0.3 . 1 . . . . 124 PHE CB . 11031 1 268 . 1 1 25 25 PHE N N 15 119.4 0.4 . 1 . . . . 124 PHE N . 11031 1 269 . 1 1 26 26 ASP H H 1 7.952 0.02 . 1 . . . . 125 ASP H . 11031 1 270 . 1 1 26 26 ASP HA H 1 4.147 0.02 . 1 . . . . 125 ASP HA . 11031 1 271 . 1 1 26 26 ASP HB2 H 1 2.771 0.02 . 2 . . . . 125 ASP HB2 . 11031 1 272 . 1 1 26 26 ASP HB3 H 1 2.759 0.02 . 2 . . . . 125 ASP HB3 . 11031 1 273 . 1 1 26 26 ASP C C 13 176.39 0.3 . 1 . . . . 125 ASP C . 11031 1 274 . 1 1 26 26 ASP CA C 13 54.33 0.3 . 1 . . . . 125 ASP CA . 11031 1 275 . 1 1 26 26 ASP CB C 13 41.24 0.3 . 1 . . . . 125 ASP CB . 11031 1 276 . 1 1 26 26 ASP N N 15 122.1 0.4 . 1 . . . . 125 ASP N . 11031 1 277 . 1 1 27 27 GLU H H 1 8.167 0.02 . 1 . . . . 126 GLU H . 11031 1 278 . 1 1 27 27 GLU HA H 1 3.742 0.02 . 1 . . . . 126 GLU HA . 11031 1 279 . 1 1 27 27 GLU HB2 H 1 1.695 0.02 . 2 . . . . 126 GLU HB2 . 11031 1 280 . 1 1 27 27 GLU HB3 H 1 1.832 0.02 . 2 . . . . 126 GLU HB3 . 11031 1 281 . 1 1 27 27 GLU HG2 H 1 2.275 0.02 . 2 . . . . 126 GLU HG2 . 11031 1 282 . 1 1 27 27 GLU HG3 H 1 2.248 0.02 . 2 . . . . 126 GLU HG3 . 11031 1 283 . 1 1 27 27 GLU C C 13 177.13 0.3 . 1 . . . . 126 GLU C . 11031 1 284 . 1 1 27 27 GLU CA C 13 57.55 0.3 . 1 . . . . 126 GLU CA . 11031 1 285 . 1 1 27 27 GLU CB C 13 29.49 0.3 . 1 . . . . 126 GLU CB . 11031 1 286 . 1 1 27 27 GLU CG C 13 35.49 0.3 . 1 . . . . 126 GLU CG . 11031 1 287 . 1 1 27 27 GLU N N 15 121.7 0.4 . 1 . . . . 126 GLU N . 11031 1 288 . 1 1 28 28 MET H H 1 7.994 0.02 . 1 . . . . 127 MET H . 11031 1 289 . 1 1 28 28 MET HA H 1 4.047 0.02 . 1 . . . . 127 MET HA . 11031 1 290 . 1 1 28 28 MET HB2 H 1 1.742 0.02 . 2 . . . . 127 MET HB2 . 11031 1 291 . 1 1 28 28 MET HB3 H 1 1.761 0.02 . 2 . . . . 127 MET HB3 . 11031 1 292 . 1 1 28 28 MET HG2 H 1 2.283 0.02 . 2 . . . . 127 MET HG2 . 11031 1 293 . 1 1 28 28 MET HG3 H 1 2.163 0.02 . 2 . . . . 127 MET HG3 . 11031 1 294 . 1 1 28 28 MET C C 13 176.88 0.3 . 1 . . . . 127 MET C . 11031 1 295 . 1 1 28 28 MET CA C 13 55.71 0.3 . 1 . . . . 127 MET CA . 11031 1 296 . 1 1 28 28 MET CB C 13 31.46 0.3 . 1 . . . . 127 MET CB . 11031 1 297 . 1 1 28 28 MET CG C 13 31.26 0.3 . 1 . . . . 127 MET CG . 11031 1 298 . 1 1 28 28 MET CE C 13 26.85 0.3 . 1 . . . . 127 MET CE . 11031 1 299 . 1 1 28 28 MET N N 15 119.2 0.4 . 1 . . . . 127 MET N . 11031 1 300 . 1 1 29 29 ARG H H 1 7.783 0.02 . 1 . . . . 128 ARG H . 11031 1 301 . 1 1 29 29 ARG HA H 1 3.842 0.02 . 1 . . . . 128 ARG HA . 11031 1 302 . 1 1 29 29 ARG HB2 H 1 1.482 0.02 . 2 . . . . 128 ARG HB2 . 11031 1 303 . 1 1 29 29 ARG HB3 H 1 1.475 0.02 . 2 . . . . 128 ARG HB3 . 11031 1 304 . 1 1 29 29 ARG HG2 H 1 1.239 0.02 . 2 . . . . 128 ARG HG2 . 11031 1 305 . 1 1 29 29 ARG HG3 H 1 1.261 0.02 . 2 . . . . 128 ARG HG3 . 11031 1 306 . 1 1 29 29 ARG HD2 H 1 2.794 0.02 . 2 . . . . 128 ARG HD2 . 11031 1 307 . 1 1 29 29 ARG HD3 H 1 2.816 0.02 . 2 . . . . 128 ARG HD3 . 11031 1 308 . 1 1 29 29 ARG C C 13 176.74 0.3 . 1 . . . . 128 ARG C . 11031 1 309 . 1 1 29 29 ARG CA C 13 56.62 0.3 . 1 . . . . 128 ARG CA . 11031 1 310 . 1 1 29 29 ARG CB C 13 30.06 0.3 . 1 . . . . 128 ARG CB . 11031 1 311 . 1 1 29 29 ARG CG C 13 26.88 0.3 . 1 . . . . 128 ARG CG . 11031 1 312 . 1 1 29 29 ARG CD C 13 42.73 0.3 . 1 . . . . 128 ARG CD . 11031 1 313 . 1 1 29 29 ARG N N 15 120.8 0.4 . 1 . . . . 128 ARG N . 11031 1 314 . 1 1 30 30 GLN H H 1 8.084 0.02 . 1 . . . . 129 GLN H . 11031 1 315 . 1 1 30 30 GLN HA H 1 3.912 0.02 . 1 . . . . 129 GLN HA . 11031 1 316 . 1 1 30 30 GLN HB2 H 1 1.747 0.02 . 2 . . . . 129 GLN HB2 . 11031 1 317 . 1 1 30 30 GLN HB3 H 1 1.695 0.02 . 2 . . . . 129 GLN HB3 . 11031 1 318 . 1 1 30 30 GLN HG2 H 1 2.098 0.02 . 2 . . . . 129 GLN HG2 . 11031 1 319 . 1 1 30 30 GLN HG3 H 1 1.969 0.02 . 2 . . . . 129 GLN HG3 . 11031 1 320 . 1 1 30 30 GLN C C 13 176.20 0.3 . 1 . . . . 129 GLN C . 11031 1 321 . 1 1 30 30 GLN CA C 13 56.08 0.3 . 1 . . . . 129 GLN CA . 11031 1 322 . 1 1 30 30 GLN CB C 13 28.89 0.3 . 1 . . . . 129 GLN CB . 11031 1 323 . 1 1 30 30 GLN CG C 13 35.77 0.3 . 1 . . . . 129 GLN CG . 11031 1 324 . 1 1 30 30 GLN N N 15 120.3 0.4 . 1 . . . . 129 GLN N . 11031 1 325 . 1 1 31 31 SER H H 1 8.094 0.02 . 1 . . . . 130 SER H . 11031 1 326 . 1 1 31 31 SER HA H 1 4.053 0.02 . 1 . . . . 130 SER HA . 11031 1 327 . 1 1 31 31 SER HB2 H 1 3.558 0.02 . 2 . . . . 130 SER HB2 . 11031 1 328 . 1 1 31 31 SER HB3 H 1 3.572 0.02 . 2 . . . . 130 SER HB3 . 11031 1 329 . 1 1 31 31 SER C C 13 174.78 0.3 . 1 . . . . 130 SER C . 11031 1 330 . 1 1 31 31 SER CA C 13 58.73 0.3 . 1 . . . . 130 SER CA . 11031 1 331 . 1 1 31 31 SER CB C 13 63.13 0.3 . 1 . . . . 130 SER CB . 11031 1 332 . 1 1 31 31 SER N N 15 116.7 0.4 . 1 . . . . 130 SER N . 11031 1 333 . 1 1 32 32 VAL H H 1 7.839 0.02 . 1 . . . . 131 VAL H . 11031 1 334 . 1 1 32 32 VAL HA H 1 3.708 0.02 . 1 . . . . 131 VAL HA . 11031 1 335 . 1 1 32 32 VAL HB H 1 1.763 0.02 . 1 . . . . 131 VAL HB . 11031 1 336 . 1 1 32 32 VAL HG11 H 1 0.6218 0.02 . 2 . . . . 131 VAL MG1 . 11031 1 337 . 1 1 32 32 VAL HG12 H 1 0.6218 0.02 . 2 . . . . 131 VAL MG1 . 11031 1 338 . 1 1 32 32 VAL HG13 H 1 0.6218 0.02 . 2 . . . . 131 VAL MG1 . 11031 1 339 . 1 1 32 32 VAL HG21 H 1 0.6030 0.02 . 2 . . . . 131 VAL MG2 . 11031 1 340 . 1 1 32 32 VAL HG22 H 1 0.6030 0.02 . 2 . . . . 131 VAL MG2 . 11031 1 341 . 1 1 32 32 VAL HG23 H 1 0.6030 0.02 . 2 . . . . 131 VAL MG2 . 11031 1 342 . 1 1 32 32 VAL C C 13 176.37 0.3 . 1 . . . . 131 VAL C . 11031 1 343 . 1 1 32 32 VAL CA C 13 62.64 0.3 . 1 . . . . 131 VAL CA . 11031 1 344 . 1 1 32 32 VAL CB C 13 32.13 0.3 . 1 . . . . 131 VAL CB . 11031 1 345 . 1 1 32 32 VAL CG1 C 13 20.87 0.3 . 2 . . . . 131 VAL CG1 . 11031 1 346 . 1 1 32 32 VAL CG2 C 13 20.72 0.3 . 2 . . . . 131 VAL CG2 . 11031 1 347 . 1 1 32 32 VAL N N 15 122.1 0.4 . 1 . . . . 131 VAL N . 11031 1 348 . 1 1 33 33 ARG H H 1 8.096 0.02 . 1 . . . . 132 ARG H . 11031 1 349 . 1 1 33 33 ARG HA H 1 3.981 0.02 . 1 . . . . 132 ARG HA . 11031 1 350 . 1 1 33 33 ARG HB2 H 1 1.424 0.02 . 2 . . . . 132 ARG HB2 . 11031 1 351 . 1 1 33 33 ARG HB3 H 1 1.454 0.02 . 2 . . . . 132 ARG HB3 . 11031 1 352 . 1 1 33 33 ARG C C 13 176.95 0.3 . 1 . . . . 132 ARG C . 11031 1 353 . 1 1 33 33 ARG CA C 13 56.56 0.3 . 1 . . . . 132 ARG CA . 11031 1 354 . 1 1 33 33 ARG CB C 13 30.43 0.3 . 1 . . . . 132 ARG CB . 11031 1 355 . 1 1 33 33 ARG N N 15 124.0 0.4 . 1 . . . . 132 ARG N . 11031 1 356 . 1 1 34 34 THR H H 1 8.149 0.02 . 1 . . . . 133 THR H . 11031 1 357 . 1 1 34 34 THR HA H 1 3.960 0.02 . 1 . . . . 133 THR HA . 11031 1 358 . 1 1 34 34 THR HB H 1 3.952 0.02 . 1 . . . . 133 THR HB . 11031 1 359 . 1 1 34 34 THR HG21 H 1 0.904 0.02 . 1 . . . . 133 THR MG . 11031 1 360 . 1 1 34 34 THR HG22 H 1 0.904 0.02 . 1 . . . . 133 THR MG . 11031 1 361 . 1 1 34 34 THR HG23 H 1 0.904 0.02 . 1 . . . . 133 THR MG . 11031 1 362 . 1 1 34 34 THR C C 13 174.69 0.3 . 1 . . . . 133 THR C . 11031 1 363 . 1 1 34 34 THR CA C 13 62.42 0.3 . 1 . . . . 133 THR CA . 11031 1 364 . 1 1 34 34 THR CB C 13 69.23 0.3 . 1 . . . . 133 THR CB . 11031 1 365 . 1 1 34 34 THR CG2 C 13 21.41 0.3 . 1 . . . . 133 THR CG2 . 11031 1 366 . 1 1 34 34 THR N N 15 115.8 0.4 . 1 . . . . 133 THR N . 11031 1 367 . 1 1 35 35 SER H H 1 8.229 0.02 . 1 . . . . 134 SER H . 11031 1 368 . 1 1 35 35 SER HA H 1 4.096 0.02 . 1 . . . . 134 SER HA . 11031 1 369 . 1 1 35 35 SER HB2 H 1 3.672 0.02 . 2 . . . . 134 SER HB2 . 11031 1 370 . 1 1 35 35 SER HB3 H 1 3.610 0.02 . 2 . . . . 134 SER HB3 . 11031 1 371 . 1 1 35 35 SER C C 13 175.59 0.3 . 1 . . . . 134 SER C . 11031 1 372 . 1 1 35 35 SER CA C 13 59.12 0.3 . 1 . . . . 134 SER CA . 11031 1 373 . 1 1 35 35 SER CB C 13 63.04 0.3 . 1 . . . . 134 SER CB . 11031 1 374 . 1 1 35 35 SER N N 15 118.3 0.4 . 1 . . . . 134 SER N . 11031 1 375 . 1 1 36 36 LEU H H 1 8.093 0.02 . 1 . . . . 135 LEU H . 11031 1 376 . 1 1 36 36 LEU HA H 1 3.916 0.02 . 1 . . . . 135 LEU HA . 11031 1 377 . 1 1 36 36 LEU HB2 H 1 1.224 0.02 . 2 . . . . 135 LEU HB2 . 11031 1 378 . 1 1 36 36 LEU HB3 H 1 1.254 0.02 . 2 . . . . 135 LEU HB3 . 11031 1 379 . 1 1 36 36 LEU HG H 1 1.739 0.02 . 1 . . . . 135 LEU HG . 11031 1 380 . 1 1 36 36 LEU HD11 H 1 0.575 0.02 . 2 . . . . 135 LEU MD1 . 11031 1 381 . 1 1 36 36 LEU HD12 H 1 0.575 0.02 . 2 . . . . 135 LEU MD1 . 11031 1 382 . 1 1 36 36 LEU HD13 H 1 0.575 0.02 . 2 . . . . 135 LEU MD1 . 11031 1 383 . 1 1 36 36 LEU HD21 H 1 0.602 0.02 . 2 . . . . 135 LEU MD2 . 11031 1 384 . 1 1 36 36 LEU HD22 H 1 0.602 0.02 . 2 . . . . 135 LEU MD2 . 11031 1 385 . 1 1 36 36 LEU HD23 H 1 0.602 0.02 . 2 . . . . 135 LEU MD2 . 11031 1 386 . 1 1 36 36 LEU C C 13 177.80 0.3 . 1 . . . . 135 LEU C . 11031 1 387 . 1 1 36 36 LEU CA C 13 56.50 0.3 . 1 . . . . 135 LEU CA . 11031 1 388 . 1 1 36 36 LEU CB C 13 41.64 0.3 . 1 . . . . 135 LEU CB . 11031 1 389 . 1 1 36 36 LEU CG C 13 24.76 0.3 . 1 . . . . 135 LEU CG . 11031 1 390 . 1 1 36 36 LEU N N 15 123.8 0.4 . 1 . . . . 135 LEU N . 11031 1 391 . 1 1 37 37 GLU H H 1 7.983 0.02 . 1 . . . . 136 GLU H . 11031 1 392 . 1 1 37 37 GLU HA H 1 3.809 0.02 . 1 . . . . 136 GLU HA . 11031 1 393 . 1 1 37 37 GLU HB2 H 1 1.685 0.02 . 2 . . . . 136 GLU HB2 . 11031 1 394 . 1 1 37 37 GLU HB3 H 1 1.700 0.02 . 2 . . . . 136 GLU HB3 . 11031 1 395 . 1 1 37 37 GLU HG2 H 1 1.943 0.02 . 2 . . . . 136 GLU HG2 . 11031 1 396 . 1 1 37 37 GLU HG3 H 1 1.969 0.02 . 2 . . . . 136 GLU HG3 . 11031 1 397 . 1 1 37 37 GLU C C 13 176.81 0.3 . 1 . . . . 136 GLU C . 11031 1 398 . 1 1 37 37 GLU CA C 13 57.70 0.3 . 1 . . . . 136 GLU CA . 11031 1 399 . 1 1 37 37 GLU CB C 13 29.33 0.3 . 1 . . . . 136 GLU CB . 11031 1 400 . 1 1 37 37 GLU CG C 13 34.93 0.3 . 1 . . . . 136 GLU CG . 11031 1 401 . 1 1 37 37 GLU N N 15 120.9 0.4 . 1 . . . . 136 GLU N . 11031 1 402 . 1 1 38 38 ASP H H 1 8.056 0.02 . 1 . . . . 137 ASP H . 11031 1 403 . 1 1 38 38 ASP HA H 1 4.146 0.02 . 1 . . . . 137 ASP HA . 11031 1 404 . 1 1 38 38 ASP HB2 H 1 2.370 0.02 . 2 . . . . 137 ASP HB2 . 11031 1 405 . 1 1 38 38 ASP HB3 H 1 2.357 0.02 . 2 . . . . 137 ASP HB3 . 11031 1 406 . 1 1 38 38 ASP C C 13 177.60 0.3 . 1 . . . . 137 ASP C . 11031 1 407 . 1 1 38 38 ASP CA C 13 55.59 0.3 . 1 . . . . 137 ASP CA . 11031 1 408 . 1 1 38 38 ASP CB C 13 40.17 0.3 . 1 . . . . 137 ASP CB . 11031 1 409 . 1 1 38 38 ASP N N 15 120.5 0.4 . 1 . . . . 137 ASP N . 11031 1 410 . 1 1 39 39 ALA H H 1 7.858 0.02 . 1 . . . . 138 ALA H . 11031 1 411 . 1 1 39 39 ALA HA H 1 3.892 0.02 . 1 . . . . 138 ALA HA . 11031 1 412 . 1 1 39 39 ALA HB1 H 1 1.125 0.02 . 1 . . . . 138 ALA MB . 11031 1 413 . 1 1 39 39 ALA HB2 H 1 1.125 0.02 . 1 . . . . 138 ALA MB . 11031 1 414 . 1 1 39 39 ALA HB3 H 1 1.125 0.02 . 1 . . . . 138 ALA MB . 11031 1 415 . 1 1 39 39 ALA C C 13 179.07 0.3 . 1 . . . . 138 ALA C . 11031 1 416 . 1 1 39 39 ALA CA C 13 53.67 0.3 . 1 . . . . 138 ALA CA . 11031 1 417 . 1 1 39 39 ALA CB C 13 18.16 0.3 . 1 . . . . 138 ALA CB . 11031 1 418 . 1 1 39 39 ALA N N 15 123.6 0.4 . 1 . . . . 138 ALA N . 11031 1 419 . 1 1 40 40 LYS H H 1 7.837 0.02 . 1 . . . . 139 LYS H . 11031 1 420 . 1 1 40 40 LYS HA H 1 3.754 0.02 . 1 . . . . 139 LYS HA . 11031 1 421 . 1 1 40 40 LYS HB2 H 1 1.549 0.02 . 2 . . . . 139 LYS HB2 . 11031 1 422 . 1 1 40 40 LYS HB3 H 1 1.536 0.02 . 2 . . . . 139 LYS HB3 . 11031 1 423 . 1 1 40 40 LYS HG2 H 1 1.099 0.02 . 2 . . . . 139 LYS HG2 . 11031 1 424 . 1 1 40 40 LYS HG3 H 1 1.085 0.02 . 2 . . . . 139 LYS HG3 . 11031 1 425 . 1 1 40 40 LYS HD2 H 1 1.319 0.02 . 2 . . . . 139 LYS HD2 . 11031 1 426 . 1 1 40 40 LYS HD3 H 1 1.330 0.02 . 2 . . . . 139 LYS HD3 . 11031 1 427 . 1 1 40 40 LYS HE2 H 1 2.625 0.02 . 2 . . . . 139 LYS HE2 . 11031 1 428 . 1 1 40 40 LYS C C 13 177.46 0.3 . 1 . . . . 139 LYS C . 11031 1 429 . 1 1 40 40 LYS CA C 13 57.99 0.3 . 1 . . . . 139 LYS CA . 11031 1 430 . 1 1 40 40 LYS CB C 13 32.00 0.3 . 1 . . . . 139 LYS CB . 11031 1 431 . 1 1 40 40 LYS CG C 13 24.38 0.3 . 1 . . . . 139 LYS CG . 11031 1 432 . 1 1 40 40 LYS CD C 13 28.98 0.3 . 1 . . . . 139 LYS CD . 11031 1 433 . 1 1 40 40 LYS CE C 13 41.72 0.3 . 1 . . . . 139 LYS CE . 11031 1 434 . 1 1 40 40 LYS N N 15 120.5 0.4 . 1 . . . . 139 LYS N . 11031 1 435 . 1 1 41 41 ASN H H 1 8.078 0.02 . 1 . . . . 140 ASN H . 11031 1 436 . 1 1 41 41 ASN HA H 1 4.242 0.02 . 1 . . . . 140 ASN HA . 11031 1 437 . 1 1 41 41 ASN HB2 H 1 2.568 0.02 . 2 . . . . 140 ASN HB2 . 11031 1 438 . 1 1 41 41 ASN HB3 H 1 2.466 0.02 . 2 . . . . 140 ASN HB3 . 11031 1 439 . 1 1 41 41 ASN C C 13 175.90 0.3 . 1 . . . . 140 ASN C . 11031 1 440 . 1 1 41 41 ASN CA C 13 54.21 0.3 . 1 . . . . 140 ASN CA . 11031 1 441 . 1 1 41 41 ASN CB C 13 37.81 0.3 . 1 . . . . 140 ASN CB . 11031 1 442 . 1 1 41 41 ASN N N 15 118.5 0.4 . 1 . . . . 140 ASN N . 11031 1 443 . 1 1 42 42 ALA H H 1 7.883 0.02 . 1 . . . . 141 ALA H . 11031 1 444 . 1 1 42 42 ALA HA H 1 3.897 0.02 . 1 . . . . 141 ALA HA . 11031 1 445 . 1 1 42 42 ALA HB1 H 1 1.124 0.02 . 1 . . . . 141 ALA MB . 11031 1 446 . 1 1 42 42 ALA HB2 H 1 1.124 0.02 . 1 . . . . 141 ALA MB . 11031 1 447 . 1 1 42 42 ALA HB3 H 1 1.124 0.02 . 1 . . . . 141 ALA MB . 11031 1 448 . 1 1 42 42 ALA C C 13 179.34 0.3 . 1 . . . . 141 ALA C . 11031 1 449 . 1 1 42 42 ALA CA C 13 53.91 0.3 . 1 . . . . 141 ALA CA . 11031 1 450 . 1 1 42 42 ALA CB C 13 17.93 0.3 . 1 . . . . 141 ALA CB . 11031 1 451 . 1 1 42 42 ALA N N 15 122.8 0.4 . 1 . . . . 141 ALA N . 11031 1 452 . 1 1 43 43 ARG H H 1 7.873 0.02 . 1 . . . . 142 ARG H . 11031 1 453 . 1 1 43 43 ARG HA H 1 3.844 0.02 . 1 . . . . 142 ARG HA . 11031 1 454 . 1 1 43 43 ARG HB2 H 1 1.576 0.02 . 2 . . . . 142 ARG HB2 . 11031 1 455 . 1 1 43 43 ARG HB3 H 1 1.557 0.02 . 2 . . . . 142 ARG HB3 . 11031 1 456 . 1 1 43 43 ARG HG2 H 1 1.116 0.02 . 2 . . . . 142 ARG HG2 . 11031 1 457 . 1 1 43 43 ARG HG3 H 1 1.144 0.02 . 2 . . . . 142 ARG HG3 . 11031 1 458 . 1 1 43 43 ARG HD2 H 1 2.877 0.02 . 2 . . . . 142 ARG HD2 . 11031 1 459 . 1 1 43 43 ARG HD3 H 1 2.915 0.02 . 2 . . . . 142 ARG HD3 . 11031 1 460 . 1 1 43 43 ARG C C 13 177.65 0.3 . 1 . . . . 142 ARG C . 11031 1 461 . 1 1 43 43 ARG CA C 13 57.68 0.3 . 1 . . . . 142 ARG CA . 11031 1 462 . 1 1 43 43 ARG CB C 13 31.00 0.3 . 1 . . . . 142 ARG CB . 11031 1 463 . 1 1 43 43 ARG N N 15 120.0 0.4 . 1 . . . . 142 ARG N . 11031 1 464 . 1 1 44 44 GLU H H 1 8.081 0.02 . 1 . . . . 143 GLU H . 11031 1 465 . 1 1 44 44 GLU HA H 1 3.823 0.02 . 1 . . . . 143 GLU HA . 11031 1 466 . 1 1 44 44 GLU HB2 H 1 1.582 0.02 . 2 . . . . 143 GLU HB2 . 11031 1 467 . 1 1 44 44 GLU HB3 H 1 1.736 0.02 . 2 . . . . 143 GLU HB3 . 11031 1 468 . 1 1 44 44 GLU HG2 H 1 2.075 0.02 . 2 . . . . 143 GLU HG2 . 11031 1 469 . 1 1 44 44 GLU HG3 H 1 1.946 0.02 . 2 . . . . 143 GLU HG3 . 11031 1 470 . 1 1 44 44 GLU C C 13 177.82 0.3 . 1 . . . . 143 GLU C . 11031 1 471 . 1 1 44 44 GLU CA C 13 57.95 0.3 . 1 . . . . 143 GLU CA . 11031 1 472 . 1 1 44 44 GLU CB C 13 29.04 0.3 . 1 . . . . 143 GLU CB . 11031 1 473 . 1 1 44 44 GLU N N 15 121.0 0.4 . 1 . . . . 143 GLU N . 11031 1 474 . 1 1 45 45 ASP H H 1 8.172 0.02 . 1 . . . . 144 ASP H . 11031 1 475 . 1 1 45 45 ASP HA H 1 4.140 0.02 . 1 . . . . 144 ASP HA . 11031 1 476 . 1 1 45 45 ASP HB2 H 1 2.417 0.02 . 2 . . . . 144 ASP HB2 . 11031 1 477 . 1 1 45 45 ASP HB3 H 1 2.362 0.02 . 2 . . . . 144 ASP HB3 . 11031 1 478 . 1 1 45 45 ASP C C 13 177.72 0.3 . 1 . . . . 144 ASP C . 11031 1 479 . 1 1 45 45 ASP CA C 13 55.49 0.3 . 1 . . . . 144 ASP CA . 11031 1 480 . 1 1 45 45 ASP CB C 13 40.14 0.3 . 1 . . . . 144 ASP CB . 11031 1 481 . 1 1 45 45 ASP N N 15 120.6 0.4 . 1 . . . . 144 ASP N . 11031 1 482 . 1 1 46 46 ALA H H 1 7.845 0.02 . 1 . . . . 145 ALA H . 11031 1 483 . 1 1 46 46 ALA HA H 1 3.896 0.02 . 1 . . . . 145 ALA HA . 11031 1 484 . 1 1 46 46 ALA HB1 H 1 1.168 0.02 . 1 . . . . 145 ALA MB . 11031 1 485 . 1 1 46 46 ALA HB2 H 1 1.168 0.02 . 1 . . . . 145 ALA MB . 11031 1 486 . 1 1 46 46 ALA HB3 H 1 1.168 0.02 . 1 . . . . 145 ALA MB . 11031 1 487 . 1 1 46 46 ALA C C 13 179.86 0.3 . 1 . . . . 145 ALA C . 11031 1 488 . 1 1 46 46 ALA CA C 13 54.42 0.3 . 1 . . . . 145 ALA CA . 11031 1 489 . 1 1 46 46 ALA CB C 13 18.05 0.3 . 1 . . . . 145 ALA CB . 11031 1 490 . 1 1 46 46 ALA N N 15 123.6 0.4 . 1 . . . . 145 ALA N . 11031 1 491 . 1 1 47 47 GLU H H 1 8.074 0.02 . 1 . . . . 146 GLU H . 11031 1 492 . 1 1 47 47 GLU HA H 1 3.776 0.02 . 1 . . . . 146 GLU HA . 11031 1 493 . 1 1 47 47 GLU HG2 H 1 1.798 0.02 . 2 . . . . 146 GLU HG2 . 11031 1 494 . 1 1 47 47 GLU HG3 H 1 1.825 0.02 . 2 . . . . 146 GLU HG3 . 11031 1 495 . 1 1 47 47 GLU C C 13 178.72 0.3 . 1 . . . . 146 GLU C . 11031 1 496 . 1 1 47 47 GLU CA C 13 58.18 0.3 . 1 . . . . 146 GLU CA . 11031 1 497 . 1 1 47 47 GLU CB C 13 29.25 0.3 . 1 . . . . 146 GLU CB . 11031 1 498 . 1 1 47 47 GLU CG C 13 34.90 0.3 . 1 . . . . 146 GLU CG . 11031 1 499 . 1 1 47 47 GLU N N 15 119.7 0.4 . 1 . . . . 146 GLU N . 11031 1 500 . 1 1 48 48 GLN H H 1 8.013 0.02 . 1 . . . . 147 GLN H . 11031 1 501 . 1 1 48 48 GLN HA H 1 3.800 0.02 . 1 . . . . 147 GLN HA . 11031 1 502 . 1 1 48 48 GLN HB2 H 1 1.809 0.02 . 2 . . . . 147 GLN HB2 . 11031 1 503 . 1 1 48 48 GLN HB3 H 1 1.806 0.02 . 2 . . . . 147 GLN HB3 . 11031 1 504 . 1 1 48 48 GLN HG2 H 1 2.082 0.02 . 2 . . . . 147 GLN HG2 . 11031 1 505 . 1 1 48 48 GLN HG3 H 1 2.160 0.02 . 2 . . . . 147 GLN HG3 . 11031 1 506 . 1 1 48 48 GLN C C 13 177.67 0.3 . 1 . . . . 147 GLN C . 11031 1 507 . 1 1 48 48 GLN CA C 13 57.51 0.3 . 1 . . . . 147 GLN CA . 11031 1 508 . 1 1 48 48 GLN CB C 13 27.93 0.3 . 1 . . . . 147 GLN CB . 11031 1 509 . 1 1 48 48 GLN CG C 13 33.13 0.3 . 1 . . . . 147 GLN CG . 11031 1 510 . 1 1 48 48 GLN N N 15 119.5 0.4 . 1 . . . . 147 GLN N . 11031 1 511 . 1 1 49 49 ALA H H 1 7.917 0.02 . 1 . . . . 148 ALA H . 11031 1 512 . 1 1 49 49 ALA HA H 1 3.809 0.02 . 1 . . . . 148 ALA HA . 11031 1 513 . 1 1 49 49 ALA HB1 H 1 1.137 0.02 . 1 . . . . 148 ALA MB . 11031 1 514 . 1 1 49 49 ALA HB2 H 1 1.137 0.02 . 1 . . . . 148 ALA MB . 11031 1 515 . 1 1 49 49 ALA HB3 H 1 1.137 0.02 . 1 . . . . 148 ALA MB . 11031 1 516 . 1 1 49 49 ALA C C 13 179.21 0.3 . 1 . . . . 148 ALA C . 11031 1 517 . 1 1 49 49 ALA CA C 13 54.11 0.3 . 1 . . . . 148 ALA CA . 11031 1 518 . 1 1 49 49 ALA CB C 13 17.77 0.3 . 1 . . . . 148 ALA CB . 11031 1 519 . 1 1 49 49 ALA N N 15 122.7 0.4 . 1 . . . . 148 ALA N . 11031 1 520 . 1 1 50 50 GLN H H 1 7.885 0.02 . 1 . . . . 149 GLN H . 11031 1 521 . 1 1 50 50 GLN HA H 1 3.829 0.02 . 1 . . . . 149 GLN HA . 11031 1 522 . 1 1 50 50 GLN HG2 H 1 1.7776 0.02 . 2 . . . . 149 GLN HG2 . 11031 1 523 . 1 1 50 50 GLN HG3 H 1 1.744 0.02 . 2 . . . . 149 GLN HG3 . 11031 1 524 . 1 1 50 50 GLN C C 13 177.70 0.3 . 1 . . . . 149 GLN C . 11031 1 525 . 1 1 50 50 GLN CA C 13 57.54 0.3 . 1 . . . . 149 GLN CA . 11031 1 526 . 1 1 50 50 GLN CB C 13 29.33 0.3 . 1 . . . . 149 GLN CB . 11031 1 527 . 1 1 50 50 GLN CG C 13 35.02 0.3 . 1 . . . . 149 GLN CG . 11031 1 528 . 1 1 50 50 GLN N N 15 118.5 0.4 . 1 . . . . 149 GLN N . 11031 1 529 . 1 1 51 51 LYS H H 1 7.825 0.02 . 1 . . . . 150 LYS H . 11031 1 530 . 1 1 51 51 LYS HA H 1 3.836 0.02 . 1 . . . . 150 LYS HA . 11031 1 531 . 1 1 51 51 LYS HB2 H 1 1.782 0.02 . 2 . . . . 150 LYS HB2 . 11031 1 532 . 1 1 51 51 LYS HB3 H 1 1.745 0.02 . 2 . . . . 150 LYS HB3 . 11031 1 533 . 1 1 51 51 LYS HG2 H 1 1.534 0.02 . 2 . . . . 150 LYS HG2 . 11031 1 534 . 1 1 51 51 LYS HG3 H 1 1.557 0.02 . 2 . . . . 150 LYS HG3 . 11031 1 535 . 1 1 51 51 LYS HD2 H 1 1.916 0.02 . 2 . . . . 150 LYS HD2 . 11031 1 536 . 1 1 51 51 LYS HD3 H 1 1.943 0.02 . 2 . . . . 150 LYS HD3 . 11031 1 537 . 1 1 51 51 LYS C C 13 178.24 0.3 . 1 . . . . 150 LYS C . 11031 1 538 . 1 1 51 51 LYS CA C 13 57.73 0.3 . 1 . . . . 150 LYS CA . 11031 1 539 . 1 1 51 51 LYS CB C 13 32.77 0.3 . 1 . . . . 150 LYS CB . 11031 1 540 . 1 1 51 51 LYS CG C 13 23.64 0.3 . 1 . . . . 150 LYS CG . 11031 1 541 . 1 1 51 51 LYS N N 15 120.9 0.4 . 1 . . . . 150 LYS N . 11031 1 542 . 1 1 52 52 ARG H H 1 7.898 0.02 . 1 . . . . 151 ARG H . 11031 1 543 . 1 1 52 52 ARG HA H 1 3.870 0.02 . 1 . . . . 151 ARG HA . 11031 1 544 . 1 1 52 52 ARG HB2 H 1 1.557 0.02 . 2 . . . . 151 ARG HB2 . 11031 1 545 . 1 1 52 52 ARG HB3 H 1 1.567 0.02 . 2 . . . . 151 ARG HB3 . 11031 1 546 . 1 1 52 52 ARG HG2 H 1 1.523 0.02 . 2 . . . . 151 ARG HG2 . 11031 1 547 . 1 1 52 52 ARG HG3 H 1 1.382 0.02 . 2 . . . . 151 ARG HG3 . 11031 1 548 . 1 1 52 52 ARG HD2 H 1 2.883 0.02 . 2 . . . . 151 ARG HD2 . 11031 1 549 . 1 1 52 52 ARG HD3 H 1 2.910 0.02 . 2 . . . . 151 ARG HD3 . 11031 1 550 . 1 1 52 52 ARG C C 13 177.52 0.3 . 1 . . . . 151 ARG C . 11031 1 551 . 1 1 52 52 ARG CA C 13 57.53 0.3 . 1 . . . . 151 ARG CA . 11031 1 552 . 1 1 52 52 ARG CB C 13 30.01 0.3 . 1 . . . . 151 ARG CB . 11031 1 553 . 1 1 52 52 ARG CG C 13 30.02 0.3 . 1 . . . . 151 ARG CG . 11031 1 554 . 1 1 52 52 ARG N N 15 119.9 0.4 . 1 . . . . 151 ARG N . 11031 1 555 . 1 1 53 53 ALA H H 1 7.749 0.02 . 1 . . . . 152 ALA H . 11031 1 556 . 1 1 53 53 ALA HA H 1 3.827 0.02 . 1 . . . . 152 ALA HA . 11031 1 557 . 1 1 53 53 ALA HB1 H 1 1.134 0.02 . 1 . . . . 152 ALA MB . 11031 1 558 . 1 1 53 53 ALA HB2 H 1 1.134 0.02 . 1 . . . . 152 ALA MB . 11031 1 559 . 1 1 53 53 ALA HB3 H 1 1.134 0.02 . 1 . . . . 152 ALA MB . 11031 1 560 . 1 1 53 53 ALA CA C 13 54.10 0.3 . 1 . . . . 152 ALA CA . 11031 1 561 . 1 1 53 53 ALA CB C 13 17.73 0.3 . 1 . . . . 152 ALA CB . 11031 1 562 . 1 1 53 53 ALA N N 15 122.3 0.4 . 1 . . . . 152 ALA N . 11031 1 563 . 1 1 54 54 GLU H H 1 7.799 0.02 . 1 . . . . 153 GLU H . 11031 1 564 . 1 1 54 54 GLU C C 13 177.26 0.3 . 1 . . . . 153 GLU C . 11031 1 565 . 1 1 54 54 GLU CA C 13 57.33 0.3 . 1 . . . . 153 GLU CA . 11031 1 566 . 1 1 54 54 GLU CB C 13 28.00 0.3 . 1 . . . . 153 GLU CB . 11031 1 567 . 1 1 54 54 GLU CG C 13 32.41 0.3 . 1 . . . . 153 GLU CG . 11031 1 568 . 1 1 54 54 GLU N N 15 119.3 0.4 . 1 . . . . 153 GLU N . 11031 1 569 . 1 1 55 55 GLU H H 1 7.724 0.02 . 1 . . . . 154 GLU H . 11031 1 570 . 1 1 55 55 GLU HA H 1 3.822 0.02 . 1 . . . . 154 GLU HA . 11031 1 571 . 1 1 55 55 GLU HB2 H 1 1.536 0.02 . 2 . . . . 154 GLU HB2 . 11031 1 572 . 1 1 55 55 GLU HB3 H 1 1.534 0.02 . 2 . . . . 154 GLU HB3 . 11031 1 573 . 1 1 55 55 GLU HG2 H 1 1.794 0.02 . 2 . . . . 154 GLU HG2 . 11031 1 574 . 1 1 55 55 GLU HG3 H 1 1.820 0.02 . 2 . . . . 154 GLU HG3 . 11031 1 575 . 1 1 55 55 GLU CA C 13 57.96 0.3 . 1 . . . . 154 GLU CA . 11031 1 576 . 1 1 55 55 GLU N N 15 120.9 0.4 . 1 . . . . 154 GLU N . 11031 1 577 . 1 1 56 56 ILE CA C 13 62.87 0.3 . 1 . . . . 155 ILE CA . 11031 1 578 . 1 1 57 57 ASN H H 1 8.029 0.02 . 1 . . . . 156 ASN H . 11031 1 579 . 1 1 57 57 ASN HA H 1 4.028 0.02 . 1 . . . . 156 ASN HA . 11031 1 580 . 1 1 57 57 ASN HB2 H 1 2.510 0.02 . 2 . . . . 156 ASN HB2 . 11031 1 581 . 1 1 57 57 ASN HB3 H 1 2.546 0.02 . 2 . . . . 156 ASN HB3 . 11031 1 582 . 1 1 57 57 ASN HD21 H 1 7.802 0.02 . 2 . . . . 156 ASN HD21 . 11031 1 583 . 1 1 57 57 ASN HD22 H 1 7.810 0.02 . 2 . . . . 156 ASN HD22 . 11031 1 584 . 1 1 57 57 ASN C C 13 176.43 0.3 . 1 . . . . 156 ASN C . 11031 1 585 . 1 1 57 57 ASN CA C 13 54.13 0.3 . 1 . . . . 156 ASN CA . 11031 1 586 . 1 1 57 57 ASN CB C 13 38.17 0.3 . 1 . . . . 156 ASN CB . 11031 1 587 . 1 1 57 57 ASN N N 15 121.0 0.4 . 1 . . . . 156 ASN N . 11031 1 588 . 1 1 58 58 THR H H 1 8.120 0.02 . 1 . . . . 157 THR H . 11031 1 589 . 1 1 58 58 THR HA H 1 3.730 0.02 . 1 . . . . 157 THR HA . 11031 1 590 . 1 1 58 58 THR HB H 1 3.964 0.02 . 1 . . . . 157 THR HB . 11031 1 591 . 1 1 58 58 THR HG21 H 1 0.884 0.02 . 1 . . . . 157 THR MG . 11031 1 592 . 1 1 58 58 THR HG22 H 1 0.884 0.02 . 1 . . . . 157 THR MG . 11031 1 593 . 1 1 58 58 THR HG23 H 1 0.884 0.02 . 1 . . . . 157 THR MG . 11031 1 594 . 1 1 58 58 THR C C 13 175.36 0.3 . 1 . . . . 157 THR C . 11031 1 595 . 1 1 58 58 THR CA C 13 64.14 0.3 . 1 . . . . 157 THR CA . 11031 1 596 . 1 1 58 58 THR CB C 13 68.66 0.3 . 1 . . . . 157 THR CB . 11031 1 597 . 1 1 58 58 THR CG2 C 13 21.35 0.3 . 1 . . . . 157 THR CG2 . 11031 1 598 . 1 1 58 58 THR N N 15 116.1 0.4 . 1 . . . . 157 THR N . 11031 1 599 . 1 1 59 59 GLU H H 1 7.915 0.02 . 1 . . . . 158 GLU H . 11031 1 600 . 1 1 59 59 GLU HA H 1 3.818 0.02 . 1 . . . . 158 GLU HA . 11031 1 601 . 1 1 59 59 GLU HB2 H 1 1.725 0.02 . 2 . . . . 158 GLU HB2 . 11031 1 602 . 1 1 59 59 GLU HB3 H 1 1.746 0.02 . 2 . . . . 158 GLU HB3 . 11031 1 603 . 1 1 59 59 GLU HG2 H 1 2.024 0.02 . 2 . . . . 158 GLU HG2 . 11031 1 604 . 1 1 59 59 GLU HG3 H 1 2.017 0.02 . 2 . . . . 158 GLU HG3 . 11031 1 605 . 1 1 59 59 GLU C C 13 177.37 0.3 . 1 . . . . 158 GLU C . 11031 1 606 . 1 1 59 59 GLU CA C 13 57.83 0.3 . 1 . . . . 158 GLU CA . 11031 1 607 . 1 1 59 59 GLU CB C 13 29.09 0.3 . 1 . . . . 158 GLU CB . 11031 1 608 . 1 1 59 59 GLU N N 15 122.3 0.4 . 1 . . . . 158 GLU N . 11031 1 609 . 1 1 60 60 LEU H H 1 7.704 0.02 . 1 . . . . 159 LEU H . 11031 1 610 . 1 1 60 60 LEU HA H 1 3.850 0.02 . 1 . . . . 159 LEU HA . 11031 1 611 . 1 1 60 60 LEU HB2 H 1 1.385 0.02 . 2 . . . . 159 LEU HB2 . 11031 1 612 . 1 1 60 60 LEU HB3 H 1 1.286 0.02 . 2 . . . . 159 LEU HB3 . 11031 1 613 . 1 1 60 60 LEU HG H 1 1.734 0.02 . 1 . . . . 159 LEU HG . 11031 1 614 . 1 1 60 60 LEU HD11 H 1 0.556 0.02 . 2 . . . . 159 LEU MD1 . 11031 1 615 . 1 1 60 60 LEU HD12 H 1 0.556 0.02 . 2 . . . . 159 LEU MD1 . 11031 1 616 . 1 1 60 60 LEU HD13 H 1 0.556 0.02 . 2 . . . . 159 LEU MD1 . 11031 1 617 . 1 1 60 60 LEU HD21 H 1 0.525 0.02 . 2 . . . . 159 LEU MD2 . 11031 1 618 . 1 1 60 60 LEU HD22 H 1 0.525 0.02 . 2 . . . . 159 LEU MD2 . 11031 1 619 . 1 1 60 60 LEU HD23 H 1 0.525 0.02 . 2 . . . . 159 LEU MD2 . 11031 1 620 . 1 1 60 60 LEU C C 13 178.23 0.3 . 1 . . . . 159 LEU C . 11031 1 621 . 1 1 60 60 LEU CA C 13 55.94 0.3 . 1 . . . . 159 LEU CA . 11031 1 622 . 1 1 60 60 LEU CB C 13 41.44 0.3 . 1 . . . . 159 LEU CB . 11031 1 623 . 1 1 60 60 LEU CG C 13 26.51 0.3 . 1 . . . . 159 LEU CG . 11031 1 624 . 1 1 60 60 LEU CD1 C 13 26.68 0.3 . 2 . . . . 159 LEU CD1 . 11031 1 625 . 1 1 60 60 LEU N N 15 120.5 0.4 . 1 . . . . 159 LEU N . 11031 1 626 . 1 1 61 61 LEU H H 1 7.634 0.02 . 1 . . . . 160 LEU H . 11031 1 627 . 1 1 61 61 LEU HA H 1 3.861 0.02 . 1 . . . . 160 LEU HA . 11031 1 628 . 1 1 61 61 LEU HB2 H 1 1.378 0.02 . 2 . . . . 160 LEU HB2 . 11031 1 629 . 1 1 61 61 LEU HB3 H 1 1.370 0.02 . 2 . . . . 160 LEU HB3 . 11031 1 630 . 1 1 61 61 LEU HG H 1 1.206 0.02 . 1 . . . . 160 LEU HG . 11031 1 631 . 1 1 61 61 LEU HD11 H 1 0.520 0.02 . 2 . . . . 160 LEU MD1 . 11031 1 632 . 1 1 61 61 LEU HD12 H 1 0.520 0.02 . 2 . . . . 160 LEU MD1 . 11031 1 633 . 1 1 61 61 LEU HD13 H 1 0.520 0.02 . 2 . . . . 160 LEU MD1 . 11031 1 634 . 1 1 61 61 LEU HD21 H 1 0.509 0.02 . 2 . . . . 160 LEU MD2 . 11031 1 635 . 1 1 61 61 LEU HD22 H 1 0.509 0.02 . 2 . . . . 160 LEU MD2 . 11031 1 636 . 1 1 61 61 LEU HD23 H 1 0.509 0.02 . 2 . . . . 160 LEU MD2 . 11031 1 637 . 1 1 61 61 LEU C C 13 177.85 0.3 . 1 . . . . 160 LEU C . 11031 1 638 . 1 1 61 61 LEU CA C 13 55.55 0.3 . 1 . . . . 160 LEU CA . 11031 1 639 . 1 1 61 61 LEU CB C 13 41.76 0.3 . 1 . . . . 160 LEU CB . 11031 1 640 . 1 1 61 61 LEU CD1 C 13 24.19 0.3 . 2 . . . . 160 LEU CD1 . 11031 1 641 . 1 1 61 61 LEU N N 15 120.4 0.4 . 1 . . . . 160 LEU N . 11031 1 642 . 1 1 62 62 GLU H H 1 7.810 0.02 . 1 . . . . 161 GLU H . 11031 1 643 . 1 1 62 62 GLU HA H 1 3.794 0.02 . 1 . . . . 161 GLU HA . 11031 1 644 . 1 1 62 62 GLU HB2 H 1 1.823 0.02 . 2 . . . . 161 GLU HB2 . 11031 1 645 . 1 1 62 62 GLU HB3 H 1 1.822 0.02 . 2 . . . . 161 GLU HB3 . 11031 1 646 . 1 1 62 62 GLU HG3 H 1 2.099 0.02 . 2 . . . . 161 GLU HG3 . 11031 1 647 . 1 1 62 62 GLU C C 13 176.41 0.3 . 1 . . . . 161 GLU C . 11031 1 648 . 1 1 62 62 GLU CA C 13 56.50 0.3 . 1 . . . . 161 GLU CA . 11031 1 649 . 1 1 62 62 GLU CB C 13 29.63 0.3 . 1 . . . . 161 GLU CB . 11031 1 650 . 1 1 62 62 GLU CG C 13 35.63 0.3 . 1 . . . . 161 GLU CG . 11031 1 651 . 1 1 62 62 GLU N N 15 119.3 0.4 . 1 . . . . 161 GLU N . 11031 1 652 . 1 1 63 63 HIS H H 1 7.955 0.02 . 1 . . . . 162 HIS H . 11031 1 653 . 1 1 63 63 HIS HA H 1 4.219 0.02 . 1 . . . . 162 HIS HA . 11031 1 654 . 1 1 63 63 HIS HB2 H 1 2.801 0.02 . 2 . . . . 162 HIS HB2 . 11031 1 655 . 1 1 63 63 HIS HB3 H 1 2.777 0.02 . 2 . . . . 162 HIS HB3 . 11031 1 656 . 1 1 63 63 HIS C C 13 174.28 0.3 . 1 . . . . 162 HIS C . 11031 1 657 . 1 1 63 63 HIS CA C 13 55.34 0.3 . 1 . . . . 162 HIS CA . 11031 1 658 . 1 1 63 63 HIS CB C 13 28.36 0.3 . 1 . . . . 162 HIS CB . 11031 1 659 . 1 1 63 63 HIS N N 15 117.9 0.4 . 1 . . . . 162 HIS N . 11031 1 660 . 1 1 64 64 HIS H H 1 8.110 0.02 . 1 . . . . 163 HIS H . 11031 1 661 . 1 1 64 64 HIS HA H 1 4.248 0.02 . 1 . . . . 163 HIS HA . 11031 1 662 . 1 1 64 64 HIS HB2 H 1 2.772 0.02 . 2 . . . . 163 HIS HB2 . 11031 1 663 . 1 1 64 64 HIS HB3 H 1 2.753 0.02 . 2 . . . . 163 HIS HB3 . 11031 1 664 . 1 1 64 64 HIS C C 13 174.10 0.3 . 1 . . . . 163 HIS C . 11031 1 665 . 1 1 64 64 HIS CA C 13 55.21 0.3 . 1 . . . . 163 HIS CA . 11031 1 666 . 1 1 64 64 HIS CB C 13 28.67 0.3 . 1 . . . . 163 HIS CB . 11031 1 667 . 1 1 64 64 HIS N N 15 118.5 0.4 . 1 . . . . 163 HIS N . 11031 1 668 . 1 1 65 65 HIS H H 1 8.297 0.02 . 1 . . . . 164 HIS H . 11031 1 669 . 1 1 65 65 HIS HA H 1 4.278 0.02 . 1 . . . . 164 HIS HA . 11031 1 670 . 1 1 65 65 HIS HB2 H 1 2.780 0.02 . 2 . . . . 164 HIS HB2 . 11031 1 671 . 1 1 65 65 HIS HB3 H 1 2.740 0.02 . 2 . . . . 164 HIS HB3 . 11031 1 672 . 1 1 65 65 HIS C C 13 174.12 0.3 . 1 . . . . 164 HIS C . 11031 1 673 . 1 1 65 65 HIS CA C 13 55.11 0.3 . 1 . . . . 164 HIS CA . 11031 1 674 . 1 1 65 65 HIS CB C 13 28.79 0.3 . 1 . . . . 164 HIS CB . 11031 1 675 . 1 1 65 65 HIS N N 15 119.3 0.4 . 1 . . . . 164 HIS N . 11031 1 676 . 1 1 66 66 HIS H H 1 8.393 0.02 . 1 . . . . 165 HIS H . 11031 1 677 . 1 1 66 66 HIS HA H 1 4.289 0.02 . 1 . . . . 165 HIS HA . 11031 1 678 . 1 1 66 66 HIS HB2 H 1 2.827 0.02 . 2 . . . . 165 HIS HB2 . 11031 1 679 . 1 1 66 66 HIS HB3 H 1 2.765 0.02 . 2 . . . . 165 HIS HB3 . 11031 1 680 . 1 1 66 66 HIS C C 13 173.92 0.3 . 1 . . . . 165 HIS C . 11031 1 681 . 1 1 66 66 HIS CA C 13 55.07 0.3 . 1 . . . . 165 HIS CA . 11031 1 682 . 1 1 66 66 HIS CB C 13 28.95 0.3 . 1 . . . . 165 HIS CB . 11031 1 683 . 1 1 66 66 HIS N N 15 120.0 0.4 . 1 . . . . 165 HIS N . 11031 1 684 . 1 1 67 67 HIS H H 1 8.373 0.02 . 1 . . . . 166 HIS H . 11031 1 685 . 1 1 67 67 HIS HA H 1 4.281 0.02 . 1 . . . . 166 HIS HA . 11031 1 686 . 1 1 67 67 HIS HB2 H 1 2.803 0.02 . 2 . . . . 166 HIS HB2 . 11031 1 687 . 1 1 67 67 HIS HB3 H 1 2.841 0.02 . 2 . . . . 166 HIS HB3 . 11031 1 688 . 1 1 67 67 HIS C C 13 173.40 0.3 . 1 . . . . 166 HIS C . 11031 1 689 . 1 1 67 67 HIS CA C 13 55.26 0.3 . 1 . . . . 166 HIS CA . 11031 1 690 . 1 1 67 67 HIS CB C 13 29.00 0.3 . 1 . . . . 166 HIS CB . 11031 1 691 . 1 1 67 67 HIS N N 15 120.5 0.4 . 1 . . . . 166 HIS N . 11031 1 692 . 1 1 68 68 HIS H H 1 8.122 0.02 . 1 . . . . 167 HIS H . 11031 1 693 . 1 1 68 68 HIS HA H 1 4.105 0.02 . 1 . . . . 167 HIS HA . 11031 1 694 . 1 1 68 68 HIS HB2 H 1 2.883 0.02 . 2 . . . . 167 HIS HB2 . 11031 1 695 . 1 1 68 68 HIS HB3 H 1 2.799 0.02 . 2 . . . . 167 HIS HB3 . 11031 1 696 . 1 1 68 68 HIS CA C 13 56.67 0.3 . 1 . . . . 167 HIS CA . 11031 1 697 . 1 1 68 68 HIS CB C 13 29.46 0.3 . 1 . . . . 167 HIS CB . 11031 1 698 . 1 1 68 68 HIS N N 15 125.3 0.4 . 1 . . . . 167 HIS N . 11031 1 stop_ save_