data_51513 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51513 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignments, experimental 3JHN-HA scalar couplings, and 15N-relaxation rates of the C-terminal portion of human CHMP4B (residues 121-224) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-11 _Entry.Accession_date 2022-07-11 _Entry.Last_release_date 2022-07-11 _Entry.Original_release_date 2022-07-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Ruben Elias . D. . 0000-0002-6702-052X 51513 2 Lalit Deshmukh . . . 0000-0001-6126-1560 51513 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51513 coupling_constants 1 51513 heteronucl_T1_relaxation 1 51513 heteronucl_T2_relaxation 1 51513 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 392 51513 '15N chemical shifts' 95 51513 '1H chemical shifts' 314 51513 'T1 relaxation values' 95 51513 'T2 relaxation values' 95 51513 'coupling constants' 89 51513 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 2 . . 2023-07-28 2022-07-11 update BMRB 'update entry citation' 51513 1 . . 2023-06-06 2022-07-11 original author 'original release' 51513 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51514 'C-terminal portion of human CHMP4C (residues 121-233)' 51513 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51513 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37450591 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Reversible phase separation of ESCRT protein ALIX through tyrosine phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _Citation.Journal_volume 9 _Citation.Journal_issue 28 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2375-2548 _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 eadg3913 _Citation.Page_last eadg3913 _Citation.Year 2023 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ruben Elias . D. . . 51513 1 2 Yingqi Zu . . . . 51513 1 3 Qi Su . . . . 51513 1 4 Rodolfo Ghirlando . . . . 51513 1 5 Jin Zhang . . . . 51513 1 6 Lalit Deshmukh . . . . 51513 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Cytokinesis 51513 1 ESCRT 51513 1 'Intrinsically Disordered Proteins' 51513 1 'Phase Separation' 51513 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51513 _Assembly.ID 1 _Assembly.Name 'Human CHMP4B' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Human CHMP4B' 1 $entity_1 . . yes native no no . . . 51513 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51513 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GSDNMDIDKVDELMQDIADQ QELAEEISTAISKPVGFGEE FDEDELMAELEELEQEELDK NLLEICGPETVPLPNVPSIA LPSKPAKKKEEEDDDMKELE NWAGSM ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation S184C _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11852 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'contains two non-native residues at the N-terminus (G119, and S120)' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q9H444 . 'Charged multivesicular body protein 4b' . . . . . . . . . . . . . . 51513 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'ESCRT protein' 51513 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 1 119 GLY . 51513 1 2 120 SER . 51513 1 3 121 ASP . 51513 1 4 122 ASN . 51513 1 5 123 MET . 51513 1 6 124 ASP . 51513 1 7 125 ILE . 51513 1 8 126 ASP . 51513 1 9 127 LYS . 51513 1 10 128 VAL . 51513 1 11 129 ASP . 51513 1 12 130 GLU . 51513 1 13 131 LEU . 51513 1 14 132 MET . 51513 1 15 133 GLN . 51513 1 16 134 ASP . 51513 1 17 135 ILE . 51513 1 18 136 ALA . 51513 1 19 137 ASP . 51513 1 20 138 GLN . 51513 1 21 139 GLN . 51513 1 22 140 GLU . 51513 1 23 141 LEU . 51513 1 24 142 ALA . 51513 1 25 143 GLU . 51513 1 26 144 GLU . 51513 1 27 145 ILE . 51513 1 28 146 SER . 51513 1 29 147 THR . 51513 1 30 148 ALA . 51513 1 31 149 ILE . 51513 1 32 150 SER . 51513 1 33 151 LYS . 51513 1 34 152 PRO . 51513 1 35 153 VAL . 51513 1 36 154 GLY . 51513 1 37 155 PHE . 51513 1 38 156 GLY . 51513 1 39 157 GLU . 51513 1 40 158 GLU . 51513 1 41 159 PHE . 51513 1 42 160 ASP . 51513 1 43 161 GLU . 51513 1 44 162 ASP . 51513 1 45 163 GLU . 51513 1 46 164 LEU . 51513 1 47 165 MET . 51513 1 48 166 ALA . 51513 1 49 167 GLU . 51513 1 50 168 LEU . 51513 1 51 169 GLU . 51513 1 52 170 GLU . 51513 1 53 171 LEU . 51513 1 54 172 GLU . 51513 1 55 173 GLN . 51513 1 56 174 GLU . 51513 1 57 175 GLU . 51513 1 58 176 LEU . 51513 1 59 177 ASP . 51513 1 60 178 LYS . 51513 1 61 179 ASN . 51513 1 62 180 LEU . 51513 1 63 181 LEU . 51513 1 64 182 GLU . 51513 1 65 183 ILE . 51513 1 66 184 CYS . 51513 1 67 185 GLY . 51513 1 68 186 PRO . 51513 1 69 187 GLU . 51513 1 70 188 THR . 51513 1 71 189 VAL . 51513 1 72 190 PRO . 51513 1 73 191 LEU . 51513 1 74 192 PRO . 51513 1 75 193 ASN . 51513 1 76 194 VAL . 51513 1 77 195 PRO . 51513 1 78 196 SER . 51513 1 79 197 ILE . 51513 1 80 198 ALA . 51513 1 81 199 LEU . 51513 1 82 200 PRO . 51513 1 83 201 SER . 51513 1 84 202 LYS . 51513 1 85 203 PRO . 51513 1 86 204 ALA . 51513 1 87 205 LYS . 51513 1 88 206 LYS . 51513 1 89 207 LYS . 51513 1 90 208 GLU . 51513 1 91 209 GLU . 51513 1 92 210 GLU . 51513 1 93 211 ASP . 51513 1 94 212 ASP . 51513 1 95 213 ASP . 51513 1 96 214 MET . 51513 1 97 215 LYS . 51513 1 98 216 GLU . 51513 1 99 217 LEU . 51513 1 100 218 GLU . 51513 1 101 219 ASN . 51513 1 102 220 TRP . 51513 1 103 221 ALA . 51513 1 104 222 GLY . 51513 1 105 223 SER . 51513 1 106 224 MET . 51513 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 51513 1 . SER 2 2 51513 1 . ASP 3 3 51513 1 . ASN 4 4 51513 1 . MET 5 5 51513 1 . ASP 6 6 51513 1 . ILE 7 7 51513 1 . ASP 8 8 51513 1 . LYS 9 9 51513 1 . VAL 10 10 51513 1 . ASP 11 11 51513 1 . GLU 12 12 51513 1 . LEU 13 13 51513 1 . MET 14 14 51513 1 . GLN 15 15 51513 1 . ASP 16 16 51513 1 . ILE 17 17 51513 1 . ALA 18 18 51513 1 . ASP 19 19 51513 1 . GLN 20 20 51513 1 . GLN 21 21 51513 1 . GLU 22 22 51513 1 . LEU 23 23 51513 1 . ALA 24 24 51513 1 . GLU 25 25 51513 1 . GLU 26 26 51513 1 . ILE 27 27 51513 1 . SER 28 28 51513 1 . THR 29 29 51513 1 . ALA 30 30 51513 1 . ILE 31 31 51513 1 . SER 32 32 51513 1 . LYS 33 33 51513 1 . PRO 34 34 51513 1 . VAL 35 35 51513 1 . GLY 36 36 51513 1 . PHE 37 37 51513 1 . GLY 38 38 51513 1 . GLU 39 39 51513 1 . GLU 40 40 51513 1 . PHE 41 41 51513 1 . ASP 42 42 51513 1 . GLU 43 43 51513 1 . ASP 44 44 51513 1 . GLU 45 45 51513 1 . LEU 46 46 51513 1 . MET 47 47 51513 1 . ALA 48 48 51513 1 . GLU 49 49 51513 1 . LEU 50 50 51513 1 . GLU 51 51 51513 1 . GLU 52 52 51513 1 . LEU 53 53 51513 1 . GLU 54 54 51513 1 . GLN 55 55 51513 1 . GLU 56 56 51513 1 . GLU 57 57 51513 1 . LEU 58 58 51513 1 . ASP 59 59 51513 1 . LYS 60 60 51513 1 . ASN 61 61 51513 1 . LEU 62 62 51513 1 . LEU 63 63 51513 1 . GLU 64 64 51513 1 . ILE 65 65 51513 1 . CYS 66 66 51513 1 . GLY 67 67 51513 1 . PRO 68 68 51513 1 . GLU 69 69 51513 1 . THR 70 70 51513 1 . VAL 71 71 51513 1 . PRO 72 72 51513 1 . LEU 73 73 51513 1 . PRO 74 74 51513 1 . ASN 75 75 51513 1 . VAL 76 76 51513 1 . PRO 77 77 51513 1 . SER 78 78 51513 1 . ILE 79 79 51513 1 . ALA 80 80 51513 1 . LEU 81 81 51513 1 . PRO 82 82 51513 1 . SER 83 83 51513 1 . LYS 84 84 51513 1 . PRO 85 85 51513 1 . ALA 86 86 51513 1 . LYS 87 87 51513 1 . LYS 88 88 51513 1 . LYS 89 89 51513 1 . GLU 90 90 51513 1 . GLU 91 91 51513 1 . GLU 92 92 51513 1 . ASP 93 93 51513 1 . ASP 94 94 51513 1 . ASP 95 95 51513 1 . MET 96 96 51513 1 . LYS 97 97 51513 1 . GLU 98 98 51513 1 . LEU 99 99 51513 1 . GLU 100 100 51513 1 . ASN 101 101 51513 1 . TRP 102 102 51513 1 . ALA 103 103 51513 1 . GLY 104 104 51513 1 . SER 105 105 51513 1 . MET 106 106 51513 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51513 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51513 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51513 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 51513 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51513 _Sample.ID 1 _Sample.Name 'Sample 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 'Human CHMP4B' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 51513 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51513 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 51513 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 51513 1 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 51513 1 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 51513 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Conditions 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 . M 51513 1 pH 6.5 . pH 51513 1 pressure 1 . atm 51513 1 temperature 303 . K 51513 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51513 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51513 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51513 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51513 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51513 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51513 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51513 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51513 1 2 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51513 1 3 '3D C(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51513 1 4 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51513 1 5 '3D H(CCO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51513 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51513 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Ref 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na 'methyl carbons' . . . . ppm 0 internal direct 1 . . . . . 51513 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 51513 1 N 15 na nitrogen . . . . ppm 0 internal direct 1 . . . . . 51513 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51513 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'shift 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 $chem_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' . . . 51513 1 2 '3D HNCACB' . . . 51513 1 3 '3D C(CO)NH' . . . 51513 1 4 '3D HN(CA)CO' . . . 51513 1 5 '3D H(CCO)NH' . . . 51513 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51513 1 2 $software_2 . . 51513 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 2 2 SER HA H 1 4.342 0.000 . 1 . . . . . 120 SER HA . 51513 1 2 . 1 . 1 2 2 SER HB2 H 1 3.710 0.000 . 1 . . . . . 120 SER HB2 . 51513 1 3 . 1 . 1 2 2 SER HB3 H 1 3.710 0.000 . 1 . . . . . 120 SER HB3 . 51513 1 4 . 1 . 1 2 2 SER C C 13 174.178 0.000 . 1 . . . . . 120 SER C . 51513 1 5 . 1 . 1 2 2 SER CA C 13 58.398 0.000 . 1 . . . . . 120 SER CA . 51513 1 6 . 1 . 1 2 2 SER CB C 13 63.688 0.000 . 1 . . . . . 120 SER CB . 51513 1 7 . 1 . 1 3 3 ASP H H 1 8.387 0.000 . 1 . . . . . 121 ASP H . 51513 1 8 . 1 . 1 3 3 ASP HB2 H 1 2.491 0.000 . 1 . . . . . 121 ASP HB2 . 51513 1 9 . 1 . 1 3 3 ASP HB3 H 1 2.491 0.000 . 1 . . . . . 121 ASP HB3 . 51513 1 10 . 1 . 1 3 3 ASP C C 13 175.789 0.000 . 1 . . . . . 121 ASP C . 51513 1 11 . 1 . 1 3 3 ASP CA C 13 54.363 0.000 . 1 . . . . . 121 ASP CA . 51513 1 12 . 1 . 1 3 3 ASP CB C 13 40.821 0.000 . 1 . . . . . 121 ASP CB . 51513 1 13 . 1 . 1 3 3 ASP N N 15 122.383 0.000 . 1 . . . . . 121 ASP N . 51513 1 14 . 1 . 1 4 4 ASN H H 1 8.201 0.000 . 1 . . . . . 122 ASN H . 51513 1 15 . 1 . 1 4 4 ASN HA H 1 4.482 0.000 . 1 . . . . . 122 ASN HA . 51513 1 16 . 1 . 1 4 4 ASN HB2 H 1 2.593 0.000 . 1 . . . . . 122 ASN HB2 . 51513 1 17 . 1 . 1 4 4 ASN HB3 H 1 2.636 0.000 . 1 . . . . . 122 ASN HB3 . 51513 1 18 . 1 . 1 4 4 ASN C C 13 175.044 0.000 . 1 . . . . . 122 ASN C . 51513 1 19 . 1 . 1 4 4 ASN CA C 13 53.418 0.000 . 1 . . . . . 122 ASN CA . 51513 1 20 . 1 . 1 4 4 ASN CB C 13 38.562 0.000 . 1 . . . . . 122 ASN CB . 51513 1 21 . 1 . 1 4 4 ASN N N 15 118.888 0.000 . 1 . . . . . 122 ASN N . 51513 1 22 . 1 . 1 5 5 MET H H 1 8.221 0.000 . 1 . . . . . 123 MET H . 51513 1 23 . 1 . 1 5 5 MET HA H 1 4.296 0.000 . 1 . . . . . 123 MET HA . 51513 1 24 . 1 . 1 5 5 MET C C 13 175.869 0.000 . 1 . . . . . 123 MET C . 51513 1 25 . 1 . 1 5 5 MET CA C 13 55.555 0.000 . 1 . . . . . 123 MET CA . 51513 1 26 . 1 . 1 5 5 MET CB C 13 32.565 0.000 . 1 . . . . . 123 MET CB . 51513 1 27 . 1 . 1 5 5 MET N N 15 121.012 0.000 . 1 . . . . . 123 MET N . 51513 1 28 . 1 . 1 6 6 ASP H H 1 8.215 0.000 . 1 . . . . . 124 ASP H . 51513 1 29 . 1 . 1 6 6 ASP HA H 1 4.435 0.000 . 1 . . . . . 124 ASP HA . 51513 1 30 . 1 . 1 6 6 ASP HB2 H 1 2.558 0.000 . 1 . . . . . 124 ASP HB2 . 51513 1 31 . 1 . 1 6 6 ASP HB3 H 1 2.418 0.000 . 1 . . . . . 124 ASP HB3 . 51513 1 32 . 1 . 1 6 6 ASP C C 13 176.175 0.000 . 1 . . . . . 124 ASP C . 51513 1 33 . 1 . 1 6 6 ASP CA C 13 54.377 0.000 . 1 . . . . . 124 ASP CA . 51513 1 34 . 1 . 1 6 6 ASP CB C 13 40.754 0.000 . 1 . . . . . 124 ASP CB . 51513 1 35 . 1 . 1 6 6 ASP N N 15 122.147 0.000 . 1 . . . . . 124 ASP N . 51513 1 36 . 1 . 1 7 7 ILE H H 1 7.822 0.000 . 1 . . . . . 125 ILE H . 51513 1 37 . 1 . 1 7 7 ILE HA H 1 3.983 0.000 . 1 . . . . . 125 ILE HA . 51513 1 38 . 1 . 1 7 7 ILE HD11 H 1 0.733 0.000 . 1 . . . . . 125 ILE HD11 . 51513 1 39 . 1 . 1 7 7 ILE HD12 H 1 0.733 0.000 . 1 . . . . . 125 ILE HD12 . 51513 1 40 . 1 . 1 7 7 ILE HD13 H 1 0.733 0.000 . 1 . . . . . 125 ILE HD13 . 51513 1 41 . 1 . 1 7 7 ILE C C 13 175.829 0.000 . 1 . . . . . 125 ILE C . 51513 1 42 . 1 . 1 7 7 ILE CA C 13 61.264 0.000 . 1 . . . . . 125 ILE CA . 51513 1 43 . 1 . 1 7 7 ILE CB C 13 38.909 0.000 . 1 . . . . . 125 ILE CB . 51513 1 44 . 1 . 1 7 7 ILE CG1 C 13 26.753 0.000 . 1 . . . . . 125 ILE CG1 . 51513 1 45 . 1 . 1 7 7 ILE CG2 C 13 17.370 0.000 . 1 . . . . . 125 ILE CG2 . 51513 1 46 . 1 . 1 7 7 ILE CD1 C 13 12.835 0.000 . 1 . . . . . 125 ILE CD1 . 51513 1 47 . 1 . 1 7 7 ILE N N 15 120.715 0.000 . 1 . . . . . 125 ILE N . 51513 1 48 . 1 . 1 8 8 ASP H H 1 8.214 0.000 . 1 . . . . . 126 ASP H . 51513 1 49 . 1 . 1 8 8 ASP C C 13 175.856 0.000 . 1 . . . . . 126 ASP C . 51513 1 50 . 1 . 1 8 8 ASP CA C 13 54.402 0.000 . 1 . . . . . 126 ASP CA . 51513 1 51 . 1 . 1 8 8 ASP CB C 13 40.887 0.000 . 1 . . . . . 126 ASP CB . 51513 1 52 . 1 . 1 8 8 ASP N N 15 123.945 0.000 . 1 . . . . . 126 ASP N . 51513 1 53 . 1 . 1 9 9 LYS H H 1 7.920 0.000 . 1 . . . . . 127 LYS H . 51513 1 54 . 1 . 1 9 9 LYS HA H 1 4.162 0.000 . 1 . . . . . 127 LYS HA . 51513 1 55 . 1 . 1 9 9 LYS C C 13 176.344 0.000 . 1 . . . . . 127 LYS C . 51513 1 56 . 1 . 1 9 9 LYS CA C 13 56.012 0.000 . 1 . . . . . 127 LYS CA . 51513 1 57 . 1 . 1 9 9 LYS CB C 13 32.698 0.000 . 1 . . . . . 127 LYS CB . 51513 1 58 . 1 . 1 9 9 LYS CG C 13 24.173 0.000 . 1 . . . . . 127 LYS CG . 51513 1 59 . 1 . 1 9 9 LYS CD C 13 28.708 0.000 . 1 . . . . . 127 LYS CD . 51513 1 60 . 1 . 1 9 9 LYS N N 15 122.374 0.000 . 1 . . . . . 127 LYS N . 51513 1 61 . 1 . 1 10 10 VAL H H 1 8.029 0.000 . 1 . . . . . 128 VAL H . 51513 1 62 . 1 . 1 10 10 VAL HA H 1 3.916 0.000 . 1 . . . . . 128 VAL HA . 51513 1 63 . 1 . 1 10 10 VAL HB H 1 1.905 0.000 . 1 . . . . . 128 VAL HB . 51513 1 64 . 1 . 1 10 10 VAL HG11 H 1 0.747 0.000 . 1 . . . . . 128 VAL HG11 . 51513 1 65 . 1 . 1 10 10 VAL HG12 H 1 0.747 0.000 . 1 . . . . . 128 VAL HG12 . 51513 1 66 . 1 . 1 10 10 VAL HG13 H 1 0.747 0.000 . 1 . . . . . 128 VAL HG13 . 51513 1 67 . 1 . 1 10 10 VAL HG21 H 1 0.747 0.000 . 1 . . . . . 128 VAL HG21 . 51513 1 68 . 1 . 1 10 10 VAL HG22 H 1 0.747 0.000 . 1 . . . . . 128 VAL HG22 . 51513 1 69 . 1 . 1 10 10 VAL HG23 H 1 0.747 0.000 . 1 . . . . . 128 VAL HG23 . 51513 1 70 . 1 . 1 10 10 VAL C C 13 175.883 0.000 . 1 . . . . . 128 VAL C . 51513 1 71 . 1 . 1 10 10 VAL CA C 13 62.362 0.000 . 1 . . . . . 128 VAL CA . 51513 1 72 . 1 . 1 10 10 VAL CB C 13 32.696 0.000 . 1 . . . . . 128 VAL CB . 51513 1 73 . 1 . 1 10 10 VAL CG1 C 13 20.031 0.000 . 1 . . . . . 128 VAL CG1 . 51513 1 74 . 1 . 1 10 10 VAL CG2 C 13 20.720 0.000 . 1 . . . . . 128 VAL CG2 . 51513 1 75 . 1 . 1 10 10 VAL N N 15 122.600 0.000 . 1 . . . . . 128 VAL N . 51513 1 76 . 1 . 1 11 11 ASP H H 1 8.267 0.000 . 1 . . . . . 129 ASP H . 51513 1 77 . 1 . 1 11 11 ASP C C 13 176.269 0.000 . 1 . . . . . 129 ASP C . 51513 1 78 . 1 . 1 11 11 ASP CA C 13 54.411 0.000 . 1 . . . . . 129 ASP CA . 51513 1 79 . 1 . 1 11 11 ASP CB C 13 40.992 0.000 . 1 . . . . . 129 ASP CB . 51513 1 80 . 1 . 1 11 11 ASP N N 15 124.695 0.000 . 1 . . . . . 129 ASP N . 51513 1 81 . 1 . 1 12 12 GLU H H 1 8.224 0.000 . 1 . . . . . 130 GLU H . 51513 1 82 . 1 . 1 12 12 GLU HA H 1 4.049 0.000 . 1 . . . . . 130 GLU HA . 51513 1 83 . 1 . 1 12 12 GLU CA C 13 56.736 0.000 . 1 . . . . . 130 GLU CA . 51513 1 84 . 1 . 1 12 12 GLU CB C 13 30.035 0.000 . 1 . . . . . 130 GLU CB . 51513 1 85 . 1 . 1 12 12 GLU N N 15 122.434 0.000 . 1 . . . . . 130 GLU N . 51513 1 86 . 1 . 1 13 13 LEU H H 1 8.114 0.000 . 1 . . . . . 131 LEU H . 51513 1 87 . 1 . 1 13 13 LEU HA H 1 4.136 0.000 . 1 . . . . . 131 LEU HA . 51513 1 88 . 1 . 1 13 13 LEU C C 13 177.387 0.000 . 1 . . . . . 131 LEU C . 51513 1 89 . 1 . 1 13 13 LEU CA C 13 55.324 0.000 . 1 . . . . . 131 LEU CA . 51513 1 90 . 1 . 1 13 13 LEU CB C 13 41.953 0.000 . 1 . . . . . 131 LEU CB . 51513 1 91 . 1 . 1 13 13 LEU CD1 C 13 23.156 0.000 . 1 . . . . . 131 LEU CD1 . 51513 1 92 . 1 . 1 13 13 LEU CD2 C 13 24.564 0.000 . 1 . . . . . 131 LEU CD2 . 51513 1 93 . 1 . 1 13 13 LEU N N 15 123.188 0.000 . 1 . . . . . 131 LEU N . 51513 1 94 . 1 . 1 14 14 MET H H 1 8.127 0.000 . 1 . . . . . 132 MET H . 51513 1 95 . 1 . 1 14 14 MET HA H 1 4.282 0.000 . 1 . . . . . 132 MET HA . 51513 1 96 . 1 . 1 14 14 MET C C 13 176.135 0.000 . 1 . . . . . 132 MET C . 51513 1 97 . 1 . 1 14 14 MET CA C 13 55.378 0.000 . 1 . . . . . 132 MET CA . 51513 1 98 . 1 . 1 14 14 MET CB C 13 32.442 0.000 . 1 . . . . . 132 MET CB . 51513 1 99 . 1 . 1 14 14 MET N N 15 121.799 0.000 . 1 . . . . . 132 MET N . 51513 1 100 . 1 . 1 15 15 GLN H H 1 8.154 0.000 . 1 . . . . . 133 GLN H . 51513 1 101 . 1 . 1 15 15 GLN HA H 1 4.129 0.000 . 1 . . . . . 133 GLN HA . 51513 1 102 . 1 . 1 15 15 GLN C C 13 175.443 0.000 . 1 . . . . . 133 GLN C . 51513 1 103 . 1 . 1 15 15 GLN CA C 13 55.801 0.000 . 1 . . . . . 133 GLN CA . 51513 1 104 . 1 . 1 15 15 GLN CB C 13 29.628 0.000 . 1 . . . . . 133 GLN CB . 51513 1 105 . 1 . 1 15 15 GLN N N 15 122.096 0.000 . 1 . . . . . 133 GLN N . 51513 1 106 . 1 . 1 16 16 ASP H H 1 8.307 0.000 . 1 . . . . . 134 ASP H . 51513 1 107 . 1 . 1 16 16 ASP HB2 H 1 2.418 0.000 . 1 . . . . . 134 ASP HB2 . 51513 1 108 . 1 . 1 16 16 ASP HB3 H 1 2.538 0.000 . 1 . . . . . 134 ASP HB3 . 51513 1 109 . 1 . 1 16 16 ASP C C 13 176.149 0.000 . 1 . . . . . 134 ASP C . 51513 1 110 . 1 . 1 16 16 ASP CA C 13 54.370 0.000 . 1 . . . . . 134 ASP CA . 51513 1 111 . 1 . 1 16 16 ASP CB C 13 40.965 0.000 . 1 . . . . . 134 ASP CB . 51513 1 112 . 1 . 1 16 16 ASP N N 15 122.695 0.000 . 1 . . . . . 134 ASP N . 51513 1 113 . 1 . 1 17 17 ILE H H 1 7.940 0.000 . 1 . . . . . 135 ILE H . 51513 1 114 . 1 . 1 17 17 ILE HA H 1 3.963 0.000 . 1 . . . . . 135 ILE HA . 51513 1 115 . 1 . 1 17 17 ILE HD11 H 1 0.727 0.000 . 1 . . . . . 135 ILE HD11 . 51513 1 116 . 1 . 1 17 17 ILE HD12 H 1 0.727 0.000 . 1 . . . . . 135 ILE HD12 . 51513 1 117 . 1 . 1 17 17 ILE HD13 H 1 0.727 0.000 . 1 . . . . . 135 ILE HD13 . 51513 1 118 . 1 . 1 17 17 ILE C C 13 176.149 0.000 . 1 . . . . . 135 ILE C . 51513 1 119 . 1 . 1 17 17 ILE CA C 13 61.188 0.000 . 1 . . . . . 135 ILE CA . 51513 1 120 . 1 . 1 17 17 ILE CB C 13 38.424 0.000 . 1 . . . . . 135 ILE CB . 51513 1 121 . 1 . 1 17 17 ILE CG1 C 13 26.832 0.000 . 1 . . . . . 135 ILE CG1 . 51513 1 122 . 1 . 1 17 17 ILE CG2 C 13 17.214 0.000 . 1 . . . . . 135 ILE CG2 . 51513 1 123 . 1 . 1 17 17 ILE CD1 C 13 12.522 0.000 . 1 . . . . . 135 ILE CD1 . 51513 1 124 . 1 . 1 17 17 ILE N N 15 121.883 0.000 . 1 . . . . . 135 ILE N . 51513 1 125 . 1 . 1 18 18 ALA H H 1 8.202 0.000 . 1 . . . . . 136 ALA H . 51513 1 126 . 1 . 1 18 18 ALA HA H 1 4.122 0.000 . 1 . . . . . 136 ALA HA . 51513 1 127 . 1 . 1 18 18 ALA HB1 H 1 1.206 0.000 . 1 . . . . . 136 ALA HB1 . 51513 1 128 . 1 . 1 18 18 ALA HB2 H 1 1.206 0.000 . 1 . . . . . 136 ALA HB2 . 51513 1 129 . 1 . 1 18 18 ALA HB3 H 1 1.206 0.000 . 1 . . . . . 136 ALA HB3 . 51513 1 130 . 1 . 1 18 18 ALA C C 13 177.600 0.000 . 1 . . . . . 136 ALA C . 51513 1 131 . 1 . 1 18 18 ALA CA C 13 52.735 0.000 . 1 . . . . . 136 ALA CA . 51513 1 132 . 1 . 1 18 18 ALA CB C 13 18.989 0.000 . 1 . . . . . 136 ALA CB . 51513 1 133 . 1 . 1 18 18 ALA N N 15 128.515 0.000 . 1 . . . . . 136 ALA N . 51513 1 134 . 1 . 1 19 19 ASP H H 1 8.126 0.000 . 1 . . . . . 137 ASP H . 51513 1 135 . 1 . 1 19 19 ASP HB2 H 1 2.458 0.000 . 1 . . . . . 137 ASP HB2 . 51513 1 136 . 1 . 1 19 19 ASP HB3 H 1 2.531 0.000 . 1 . . . . . 137 ASP HB3 . 51513 1 137 . 1 . 1 19 19 ASP C C 13 176.296 0.000 . 1 . . . . . 137 ASP C . 51513 1 138 . 1 . 1 19 19 ASP CA C 13 54.404 0.000 . 1 . . . . . 137 ASP CA . 51513 1 139 . 1 . 1 19 19 ASP CB C 13 40.887 0.000 . 1 . . . . . 137 ASP CB . 51513 1 140 . 1 . 1 19 19 ASP N N 15 120.245 0.000 . 1 . . . . . 137 ASP N . 51513 1 141 . 1 . 1 20 20 GLN H H 1 8.109 0.000 . 1 . . . . . 138 GLN H . 51513 1 142 . 1 . 1 20 20 GLN HA H 1 4.116 0.000 . 1 . . . . . 138 GLN HA . 51513 1 143 . 1 . 1 20 20 GLN C C 13 176.016 0.000 . 1 . . . . . 138 GLN C . 51513 1 144 . 1 . 1 20 20 GLN CA C 13 55.854 0.000 . 1 . . . . . 138 GLN CA . 51513 1 145 . 1 . 1 20 20 GLN CB C 13 29.110 0.000 . 1 . . . . . 138 GLN CB . 51513 1 146 . 1 . 1 20 20 GLN N N 15 121.216 0.000 . 1 . . . . . 138 GLN N . 51513 1 147 . 1 . 1 21 21 GLN H H 1 8.256 0.000 . 1 . . . . . 139 GLN H . 51513 1 148 . 1 . 1 21 21 GLN HA H 1 4.116 0.000 . 1 . . . . . 139 GLN HA . 51513 1 149 . 1 . 1 21 21 GLN C C 13 175.962 0.000 . 1 . . . . . 139 GLN C . 51513 1 150 . 1 . 1 21 21 GLN CA C 13 56.025 0.000 . 1 . . . . . 139 GLN CA . 51513 1 151 . 1 . 1 21 21 GLN CB C 13 29.338 0.000 . 1 . . . . . 139 GLN CB . 51513 1 152 . 1 . 1 21 21 GLN CG C 13 33.556 0.000 . 1 . . . . . 139 GLN CG . 51513 1 153 . 1 . 1 21 21 GLN N N 15 122.211 0.000 . 1 . . . . . 139 GLN N . 51513 1 154 . 1 . 1 22 22 GLU H H 1 8.321 0.000 . 1 . . . . . 140 GLU H . 51513 1 155 . 1 . 1 22 22 GLU HA H 1 4.089 0.000 . 1 . . . . . 140 GLU HA . 51513 1 156 . 1 . 1 22 22 GLU C C 13 176.322 0.000 . 1 . . . . . 140 GLU C . 51513 1 157 . 1 . 1 22 22 GLU CA C 13 56.467 0.000 . 1 . . . . . 140 GLU CA . 51513 1 158 . 1 . 1 22 22 GLU CB C 13 29.873 0.000 . 1 . . . . . 140 GLU CB . 51513 1 159 . 1 . 1 22 22 GLU CG C 13 35.746 0.000 . 1 . . . . . 140 GLU CG . 51513 1 160 . 1 . 1 22 22 GLU N N 15 122.970 0.000 . 1 . . . . . 140 GLU N . 51513 1 161 . 1 . 1 23 23 LEU H H 1 8.139 0.000 . 1 . . . . . 141 LEU H . 51513 1 162 . 1 . 1 23 23 LEU HA H 1 4.156 0.000 . 1 . . . . . 141 LEU HA . 51513 1 163 . 1 . 1 23 23 LEU C C 13 176.934 0.000 . 1 . . . . . 141 LEU C . 51513 1 164 . 1 . 1 23 23 LEU CA C 13 54.885 0.000 . 1 . . . . . 141 LEU CA . 51513 1 165 . 1 . 1 23 23 LEU CB C 13 42.214 0.000 . 1 . . . . . 141 LEU CB . 51513 1 166 . 1 . 1 23 23 LEU CG C 13 26.675 0.000 . 1 . . . . . 141 LEU CG . 51513 1 167 . 1 . 1 23 23 LEU CD1 C 13 23.078 0.000 . 1 . . . . . 141 LEU CD1 . 51513 1 168 . 1 . 1 23 23 LEU CD2 C 13 24.564 0.000 . 1 . . . . . 141 LEU CD2 . 51513 1 169 . 1 . 1 23 23 LEU N N 15 124.441 0.000 . 1 . . . . . 141 LEU N . 51513 1 170 . 1 . 1 24 24 ALA H H 1 8.137 0.000 . 1 . . . . . 142 ALA H . 51513 1 171 . 1 . 1 24 24 ALA HA H 1 4.003 0.000 . 1 . . . . . 142 ALA HA . 51513 1 172 . 1 . 1 24 24 ALA HB1 H 1 0.727 0.000 . 1 . . . . . 142 ALA HB1 . 51513 1 173 . 1 . 1 24 24 ALA HB2 H 1 0.727 0.000 . 1 . . . . . 142 ALA HB2 . 51513 1 174 . 1 . 1 24 24 ALA HB3 H 1 0.727 0.000 . 1 . . . . . 142 ALA HB3 . 51513 1 175 . 1 . 1 24 24 ALA C C 13 177.640 0.000 . 1 . . . . . 142 ALA C . 51513 1 176 . 1 . 1 24 24 ALA CA C 13 52.311 0.000 . 1 . . . . . 142 ALA CA . 51513 1 177 . 1 . 1 24 24 ALA CB C 13 19.032 0.000 . 1 . . . . . 142 ALA CB . 51513 1 178 . 1 . 1 24 24 ALA N N 15 126.145 0.000 . 1 . . . . . 142 ALA N . 51513 1 179 . 1 . 1 25 25 GLU H H 1 8.189 0.000 . 1 . . . . . 143 GLU H . 51513 1 180 . 1 . 1 25 25 GLU HA H 1 4.076 0.000 . 1 . . . . . 143 GLU HA . 51513 1 181 . 1 . 1 25 25 GLU C C 13 176.388 0.000 . 1 . . . . . 143 GLU C . 51513 1 182 . 1 . 1 25 25 GLU CA C 13 56.503 0.000 . 1 . . . . . 143 GLU CA . 51513 1 183 . 1 . 1 25 25 GLU CB C 13 30.235 0.000 . 1 . . . . . 143 GLU CB . 51513 1 184 . 1 . 1 25 25 GLU CG C 13 35.824 0.000 . 1 . . . . . 143 GLU CG . 51513 1 185 . 1 . 1 25 25 GLU N N 15 121.124 0.000 . 1 . . . . . 143 GLU N . 51513 1 186 . 1 . 1 26 26 GLU H H 1 8.217 0.000 . 1 . . . . . 144 GLU H . 51513 1 187 . 1 . 1 26 26 GLU HA H 1 4.103 0.000 . 1 . . . . . 144 GLU HA . 51513 1 188 . 1 . 1 26 26 GLU C C 13 176.442 0.000 . 1 . . . . . 144 GLU C . 51513 1 189 . 1 . 1 26 26 GLU CA C 13 56.523 0.000 . 1 . . . . . 144 GLU CA . 51513 1 190 . 1 . 1 26 26 GLU CB C 13 29.963 0.000 . 1 . . . . . 144 GLU CB . 51513 1 191 . 1 . 1 26 26 GLU CG C 13 35.824 0.000 . 1 . . . . . 144 GLU CG . 51513 1 192 . 1 . 1 26 26 GLU N N 15 122.944 0.000 . 1 . . . . . 144 GLU N . 51513 1 193 . 1 . 1 27 27 ILE H H 1 8.093 0.000 . 1 . . . . . 145 ILE H . 51513 1 194 . 1 . 1 27 27 ILE HA H 1 4.009 0.000 . 1 . . . . . 145 ILE HA . 51513 1 195 . 1 . 1 27 27 ILE HD11 H 1 0.733 0.000 . 1 . . . . . 145 ILE HD11 . 51513 1 196 . 1 . 1 27 27 ILE HD12 H 1 0.733 0.000 . 1 . . . . . 145 ILE HD12 . 51513 1 197 . 1 . 1 27 27 ILE HD13 H 1 0.733 0.000 . 1 . . . . . 145 ILE HD13 . 51513 1 198 . 1 . 1 27 27 ILE C C 13 176.402 0.000 . 1 . . . . . 145 ILE C . 51513 1 199 . 1 . 1 27 27 ILE CA C 13 61.186 0.000 . 1 . . . . . 145 ILE CA . 51513 1 200 . 1 . 1 27 27 ILE CB C 13 38.491 0.000 . 1 . . . . . 145 ILE CB . 51513 1 201 . 1 . 1 27 27 ILE CG1 C 13 26.988 0.000 . 1 . . . . . 145 ILE CG1 . 51513 1 202 . 1 . 1 27 27 ILE CG2 C 13 17.214 0.000 . 1 . . . . . 145 ILE CG2 . 51513 1 203 . 1 . 1 27 27 ILE CD1 C 13 12.287 0.000 . 1 . . . . . 145 ILE CD1 . 51513 1 204 . 1 . 1 27 27 ILE N N 15 123.222 0.000 . 1 . . . . . 145 ILE N . 51513 1 205 . 1 . 1 28 28 SER H H 1 8.303 0.000 . 1 . . . . . 146 SER H . 51513 1 206 . 1 . 1 28 28 SER HA H 1 4.342 0.000 . 1 . . . . . 146 SER HA . 51513 1 207 . 1 . 1 28 28 SER HB2 H 1 3.710 0.000 . 1 . . . . . 146 SER HB2 . 51513 1 208 . 1 . 1 28 28 SER HB3 H 1 3.710 0.000 . 1 . . . . . 146 SER HB3 . 51513 1 209 . 1 . 1 28 28 SER C C 13 175.004 0.000 . 1 . . . . . 146 SER C . 51513 1 210 . 1 . 1 28 28 SER CA C 13 58.357 0.000 . 1 . . . . . 146 SER CA . 51513 1 211 . 1 . 1 28 28 SER CB C 13 63.724 0.000 . 1 . . . . . 146 SER CB . 51513 1 212 . 1 . 1 28 28 SER N N 15 120.575 0.000 . 1 . . . . . 146 SER N . 51513 1 213 . 1 . 1 29 29 THR H H 1 8.074 0.000 . 1 . . . . . 147 THR H . 51513 1 214 . 1 . 1 29 29 THR HG21 H 1 1.044 0.000 . 1 . . . . . 147 THR HG21 . 51513 1 215 . 1 . 1 29 29 THR HG22 H 1 1.044 0.000 . 1 . . . . . 147 THR HG22 . 51513 1 216 . 1 . 1 29 29 THR HG23 H 1 1.044 0.000 . 1 . . . . . 147 THR HG23 . 51513 1 217 . 1 . 1 29 29 THR C C 13 174.218 0.000 . 1 . . . . . 147 THR C . 51513 1 218 . 1 . 1 29 29 THR CA C 13 61.870 0.000 . 1 . . . . . 147 THR CA . 51513 1 219 . 1 . 1 29 29 THR CB C 13 69.479 0.000 . 1 . . . . . 147 THR CB . 51513 1 220 . 1 . 1 29 29 THR CG2 C 13 21.045 0.000 . 1 . . . . . 147 THR CG2 . 51513 1 221 . 1 . 1 29 29 THR N N 15 117.066 0.000 . 1 . . . . . 147 THR N . 51513 1 222 . 1 . 1 30 30 ALA H H 1 8.049 0.000 . 1 . . . . . 148 ALA H . 51513 1 223 . 1 . 1 30 30 ALA HA H 1 4.162 0.000 . 1 . . . . . 148 ALA HA . 51513 1 224 . 1 . 1 30 30 ALA HB1 H 1 1.200 0.000 . 1 . . . . . 148 ALA HB1 . 51513 1 225 . 1 . 1 30 30 ALA HB2 H 1 1.200 0.000 . 1 . . . . . 148 ALA HB2 . 51513 1 226 . 1 . 1 30 30 ALA HB3 H 1 1.200 0.000 . 1 . . . . . 148 ALA HB3 . 51513 1 227 . 1 . 1 30 30 ALA C C 13 177.493 0.000 . 1 . . . . . 148 ALA C . 51513 1 228 . 1 . 1 30 30 ALA CA C 13 52.499 0.000 . 1 . . . . . 148 ALA CA . 51513 1 229 . 1 . 1 30 30 ALA CB C 13 18.980 0.000 . 1 . . . . . 148 ALA CB . 51513 1 230 . 1 . 1 30 30 ALA N N 15 127.152 0.000 . 1 . . . . . 148 ALA N . 51513 1 231 . 1 . 1 31 31 ILE H H 1 7.937 0.000 . 1 . . . . . 149 ILE H . 51513 1 232 . 1 . 1 31 31 ILE HA H 1 4.009 0.000 . 1 . . . . . 149 ILE HA . 51513 1 233 . 1 . 1 31 31 ILE HD11 H 1 0.713 0.000 . 1 . . . . . 149 ILE HD11 . 51513 1 234 . 1 . 1 31 31 ILE HD12 H 1 0.713 0.000 . 1 . . . . . 149 ILE HD12 . 51513 1 235 . 1 . 1 31 31 ILE HD13 H 1 0.713 0.000 . 1 . . . . . 149 ILE HD13 . 51513 1 236 . 1 . 1 31 31 ILE C C 13 176.229 0.000 . 1 . . . . . 149 ILE C . 51513 1 237 . 1 . 1 31 31 ILE CA C 13 60.948 0.000 . 1 . . . . . 149 ILE CA . 51513 1 238 . 1 . 1 31 31 ILE CB C 13 38.690 0.000 . 1 . . . . . 149 ILE CB . 51513 1 239 . 1 . 1 31 31 ILE CG1 C 13 26.832 0.000 . 1 . . . . . 149 ILE CG1 . 51513 1 240 . 1 . 1 31 31 ILE CG2 C 13 17.214 0.000 . 1 . . . . . 149 ILE CG2 . 51513 1 241 . 1 . 1 31 31 ILE CD1 C 13 12.522 0.000 . 1 . . . . . 149 ILE CD1 . 51513 1 242 . 1 . 1 31 31 ILE N N 15 120.769 0.000 . 1 . . . . . 149 ILE N . 51513 1 243 . 1 . 1 32 32 SER H H 1 8.194 0.000 . 1 . . . . . 150 SER H . 51513 1 244 . 1 . 1 32 32 SER HA H 1 4.276 0.000 . 1 . . . . . 150 SER HA . 51513 1 245 . 1 . 1 32 32 SER HB2 H 1 3.643 0.000 . 1 . . . . . 150 SER HB2 . 51513 1 246 . 1 . 1 32 32 SER HB3 H 1 3.643 0.000 . 1 . . . . . 150 SER HB3 . 51513 1 247 . 1 . 1 32 32 SER C C 13 173.805 0.000 . 1 . . . . . 150 SER C . 51513 1 248 . 1 . 1 32 32 SER CA C 13 57.986 0.000 . 1 . . . . . 150 SER CA . 51513 1 249 . 1 . 1 32 32 SER CB C 13 63.762 0.000 . 1 . . . . . 150 SER CB . 51513 1 250 . 1 . 1 32 32 SER N N 15 121.130 0.000 . 1 . . . . . 150 SER N . 51513 1 251 . 1 . 1 33 33 LYS H H 1 8.155 0.000 . 1 . . . . . 151 LYS H . 51513 1 252 . 1 . 1 33 33 LYS C C 13 174.125 0.000 . 1 . . . . . 151 LYS C . 51513 1 253 . 1 . 1 33 33 LYS CA C 13 54.009 0.000 . 1 . . . . . 151 LYS CA . 51513 1 254 . 1 . 1 33 33 LYS CB C 13 32.430 0.000 . 1 . . . . . 151 LYS CB . 51513 1 255 . 1 . 1 33 33 LYS N N 15 125.446 0.000 . 1 . . . . . 151 LYS N . 51513 1 256 . 1 . 1 34 34 PRO HA H 1 4.276 0.000 . 1 . . . . . 152 PRO HA . 51513 1 257 . 1 . 1 34 34 PRO HD2 H 1 3.377 0.000 . 1 . . . . . 152 PRO HD2 . 51513 1 258 . 1 . 1 34 34 PRO HD3 H 1 3.623 0.000 . 1 . . . . . 152 PRO HD3 . 51513 1 259 . 1 . 1 34 34 PRO CA C 13 62.723 0.000 . 1 . . . . . 152 PRO CA . 51513 1 260 . 1 . 1 34 34 PRO CB C 13 31.973 0.000 . 1 . . . . . 152 PRO CB . 51513 1 261 . 1 . 1 34 34 PRO CG C 13 27.144 0.000 . 1 . . . . . 152 PRO CG . 51513 1 262 . 1 . 1 34 34 PRO CD C 13 50.368 0.000 . 1 . . . . . 152 PRO CD . 51513 1 263 . 1 . 1 35 35 VAL H H 1 8.142 0.000 . 1 . . . . . 153 VAL H . 51513 1 264 . 1 . 1 35 35 VAL HA H 1 3.863 0.000 . 1 . . . . . 153 VAL HA . 51513 1 265 . 1 . 1 35 35 VAL HB H 1 1.845 0.000 . 1 . . . . . 153 VAL HB . 51513 1 266 . 1 . 1 35 35 VAL HG11 H 1 0.760 0.000 . 1 . . . . . 153 VAL HG11 . 51513 1 267 . 1 . 1 35 35 VAL HG12 H 1 0.760 0.000 . 1 . . . . . 153 VAL HG12 . 51513 1 268 . 1 . 1 35 35 VAL HG13 H 1 0.760 0.000 . 1 . . . . . 153 VAL HG13 . 51513 1 269 . 1 . 1 35 35 VAL HG21 H 1 0.760 0.000 . 1 . . . . . 153 VAL HG21 . 51513 1 270 . 1 . 1 35 35 VAL HG22 H 1 0.760 0.000 . 1 . . . . . 153 VAL HG22 . 51513 1 271 . 1 . 1 35 35 VAL HG23 H 1 0.760 0.000 . 1 . . . . . 153 VAL HG23 . 51513 1 272 . 1 . 1 35 35 VAL C C 13 176.681 0.000 . 1 . . . . . 153 VAL C . 51513 1 273 . 1 . 1 35 35 VAL CA C 13 62.625 0.000 . 1 . . . . . 153 VAL CA . 51513 1 274 . 1 . 1 35 35 VAL CB C 13 32.536 0.000 . 1 . . . . . 153 VAL CB . 51513 1 275 . 1 . 1 35 35 VAL CG1 C 13 20.268 0.000 . 1 . . . . . 153 VAL CG1 . 51513 1 276 . 1 . 1 35 35 VAL CG2 C 13 20.685 0.000 . 1 . . . . . 153 VAL CG2 . 51513 1 277 . 1 . 1 35 35 VAL N N 15 121.573 0.000 . 1 . . . . . 153 VAL N . 51513 1 278 . 1 . 1 36 36 GLY H H 1 8.306 0.000 . 1 . . . . . 154 GLY H . 51513 1 279 . 1 . 1 36 36 GLY HA2 H 1 3.690 0.000 . 1 . . . . . 154 GLY HA2 . 51513 1 280 . 1 . 1 36 36 GLY HA3 H 1 3.690 0.000 . 1 . . . . . 154 GLY HA3 . 51513 1 281 . 1 . 1 36 36 GLY C C 13 173.646 0.000 . 1 . . . . . 154 GLY C . 51513 1 282 . 1 . 1 36 36 GLY CA C 13 44.795 0.000 . 1 . . . . . 154 GLY CA . 51513 1 283 . 1 . 1 36 36 GLY N N 15 113.394 0.000 . 1 . . . . . 154 GLY N . 51513 1 284 . 1 . 1 37 37 PHE H H 1 8.027 0.000 . 1 . . . . . 155 PHE H . 51513 1 285 . 1 . 1 37 37 PHE HB2 H 1 2.851 0.000 . 1 . . . . . 155 PHE HB2 . 51513 1 286 . 1 . 1 37 37 PHE HB3 H 1 2.964 0.000 . 1 . . . . . 155 PHE HB3 . 51513 1 287 . 1 . 1 37 37 PHE C C 13 176.215 0.000 . 1 . . . . . 155 PHE C . 51513 1 288 . 1 . 1 37 37 PHE CA C 13 57.923 0.000 . 1 . . . . . 155 PHE CA . 51513 1 289 . 1 . 1 37 37 PHE CB C 13 39.556 0.000 . 1 . . . . . 155 PHE CB . 51513 1 290 . 1 . 1 37 37 PHE N N 15 120.969 0.000 . 1 . . . . . 155 PHE N . 51513 1 291 . 1 . 1 38 38 GLY H H 1 8.318 0.000 . 1 . . . . . 156 GLY H . 51513 1 292 . 1 . 1 38 38 GLY HA2 H 1 3.643 0.000 . 1 . . . . . 156 GLY HA2 . 51513 1 293 . 1 . 1 38 38 GLY HA3 H 1 3.770 0.000 . 1 . . . . . 156 GLY HA3 . 51513 1 294 . 1 . 1 38 38 GLY C C 13 173.939 0.000 . 1 . . . . . 156 GLY C . 51513 1 295 . 1 . 1 38 38 GLY CA C 13 45.215 0.000 . 1 . . . . . 156 GLY CA . 51513 1 296 . 1 . 1 38 38 GLY N N 15 112.329 0.000 . 1 . . . . . 156 GLY N . 51513 1 297 . 1 . 1 39 39 GLU H H 1 8.066 0.000 . 1 . . . . . 157 GLU H . 51513 1 298 . 1 . 1 39 39 GLU HA H 1 4.083 0.000 . 1 . . . . . 157 GLU HA . 51513 1 299 . 1 . 1 39 39 GLU C C 13 176.269 0.000 . 1 . . . . . 157 GLU C . 51513 1 300 . 1 . 1 39 39 GLU CA C 13 56.490 0.000 . 1 . . . . . 157 GLU CA . 51513 1 301 . 1 . 1 39 39 GLU CB C 13 30.035 0.000 . 1 . . . . . 157 GLU CB . 51513 1 302 . 1 . 1 39 39 GLU CG C 13 35.824 0.000 . 1 . . . . . 157 GLU CG . 51513 1 303 . 1 . 1 39 39 GLU N N 15 120.993 0.000 . 1 . . . . . 157 GLU N . 51513 1 304 . 1 . 1 40 40 GLU H H 1 8.333 0.000 . 1 . . . . . 158 GLU H . 51513 1 305 . 1 . 1 40 40 GLU HA H 1 4.056 0.000 . 1 . . . . . 158 GLU HA . 51513 1 306 . 1 . 1 40 40 GLU C C 13 175.763 0.000 . 1 . . . . . 158 GLU C . 51513 1 307 . 1 . 1 40 40 GLU CA C 13 56.474 0.000 . 1 . . . . . 158 GLU CA . 51513 1 308 . 1 . 1 40 40 GLU CB C 13 29.975 0.000 . 1 . . . . . 158 GLU CB . 51513 1 309 . 1 . 1 40 40 GLU CG C 13 35.589 0.000 . 1 . . . . . 158 GLU CG . 51513 1 310 . 1 . 1 40 40 GLU N N 15 121.809 0.000 . 1 . . . . . 158 GLU N . 51513 1 311 . 1 . 1 41 41 PHE H H 1 8.026 0.000 . 1 . . . . . 159 PHE H . 51513 1 312 . 1 . 1 41 41 PHE HA H 1 4.469 0.000 . 1 . . . . . 159 PHE HA . 51513 1 313 . 1 . 1 41 41 PHE HB2 H 1 2.778 0.000 . 1 . . . . . 159 PHE HB2 . 51513 1 314 . 1 . 1 41 41 PHE HB3 H 1 2.964 0.000 . 1 . . . . . 159 PHE HB3 . 51513 1 315 . 1 . 1 41 41 PHE C C 13 174.977 0.000 . 1 . . . . . 159 PHE C . 51513 1 316 . 1 . 1 41 41 PHE CA C 13 57.212 0.000 . 1 . . . . . 159 PHE CA . 51513 1 317 . 1 . 1 41 41 PHE CB C 13 39.822 0.000 . 1 . . . . . 159 PHE CB . 51513 1 318 . 1 . 1 41 41 PHE N N 15 121.567 0.000 . 1 . . . . . 159 PHE N . 51513 1 319 . 1 . 1 42 42 ASP H H 1 8.199 0.000 . 1 . . . . . 160 ASP H . 51513 1 320 . 1 . 1 42 42 ASP HA H 1 4.435 0.000 . 1 . . . . . 160 ASP HA . 51513 1 321 . 1 . 1 42 42 ASP HB2 H 1 2.405 0.000 . 1 . . . . . 160 ASP HB2 . 51513 1 322 . 1 . 1 42 42 ASP HB3 H 1 2.538 0.000 . 1 . . . . . 160 ASP HB3 . 51513 1 323 . 1 . 1 42 42 ASP C C 13 175.936 0.000 . 1 . . . . . 160 ASP C . 51513 1 324 . 1 . 1 42 42 ASP CA C 13 53.881 0.000 . 1 . . . . . 160 ASP CA . 51513 1 325 . 1 . 1 42 42 ASP CB C 13 41.087 0.000 . 1 . . . . . 160 ASP CB . 51513 1 326 . 1 . 1 42 42 ASP N N 15 123.511 0.000 . 1 . . . . . 160 ASP N . 51513 1 327 . 1 . 1 43 43 GLU H H 1 8.262 0.000 . 1 . . . . . 161 GLU H . 51513 1 328 . 1 . 1 43 43 GLU HA H 1 4.023 0.000 . 1 . . . . . 161 GLU HA . 51513 1 329 . 1 . 1 43 43 GLU C C 13 176.442 0.000 . 1 . . . . . 161 GLU C . 51513 1 330 . 1 . 1 43 43 GLU CA C 13 56.971 0.000 . 1 . . . . . 161 GLU CA . 51513 1 331 . 1 . 1 43 43 GLU CB C 13 29.983 0.000 . 1 . . . . . 161 GLU CB . 51513 1 332 . 1 . 1 43 43 GLU CG C 13 35.589 0.000 . 1 . . . . . 161 GLU CG . 51513 1 333 . 1 . 1 43 43 GLU N N 15 122.824 0.000 . 1 . . . . . 161 GLU N . 51513 1 334 . 1 . 1 44 44 ASP H H 1 8.239 0.000 . 1 . . . . . 162 ASP H . 51513 1 335 . 1 . 1 44 44 ASP C C 13 176.681 0.000 . 1 . . . . . 162 ASP C . 51513 1 336 . 1 . 1 44 44 ASP CA C 13 54.870 0.000 . 1 . . . . . 162 ASP CA . 51513 1 337 . 1 . 1 44 44 ASP CB C 13 40.754 0.000 . 1 . . . . . 162 ASP CB . 51513 1 338 . 1 . 1 44 44 ASP N N 15 121.770 0.000 . 1 . . . . . 162 ASP N . 51513 1 339 . 1 . 1 45 45 GLU H H 1 8.121 0.000 . 1 . . . . . 163 GLU H . 51513 1 340 . 1 . 1 45 45 GLU HA H 1 4.036 0.000 . 1 . . . . . 163 GLU HA . 51513 1 341 . 1 . 1 45 45 GLU C C 13 176.668 0.000 . 1 . . . . . 163 GLU C . 51513 1 342 . 1 . 1 45 45 GLU CA C 13 56.966 0.000 . 1 . . . . . 163 GLU CA . 51513 1 343 . 1 . 1 45 45 GLU CB C 13 29.769 0.000 . 1 . . . . . 163 GLU CB . 51513 1 344 . 1 . 1 45 45 GLU CG C 13 35.589 0.000 . 1 . . . . . 163 GLU CG . 51513 1 345 . 1 . 1 45 45 GLU N N 15 122.166 0.000 . 1 . . . . . 163 GLU N . 51513 1 346 . 1 . 1 46 46 LEU H H 1 8.024 0.000 . 1 . . . . . 164 LEU H . 51513 1 347 . 1 . 1 46 46 LEU HA H 1 4.136 0.000 . 1 . . . . . 164 LEU HA . 51513 1 348 . 1 . 1 46 46 LEU C C 13 177.627 0.000 . 1 . . . . . 164 LEU C . 51513 1 349 . 1 . 1 46 46 LEU CA C 13 55.587 0.000 . 1 . . . . . 164 LEU CA . 51513 1 350 . 1 . 1 46 46 LEU CB C 13 41.953 0.000 . 1 . . . . . 164 LEU CB . 51513 1 351 . 1 . 1 46 46 LEU CG C 13 26.910 0.000 . 1 . . . . . 164 LEU CG . 51513 1 352 . 1 . 1 46 46 LEU CD1 C 13 23.235 0.000 . 1 . . . . . 164 LEU CD1 . 51513 1 353 . 1 . 1 46 46 LEU CD2 C 13 24.564 0.000 . 1 . . . . . 164 LEU CD2 . 51513 1 354 . 1 . 1 46 46 LEU N N 15 123.426 0.000 . 1 . . . . . 164 LEU N . 51513 1 355 . 1 . 1 47 47 MET H H 1 8.119 0.000 . 1 . . . . . 165 MET H . 51513 1 356 . 1 . 1 47 47 MET HA H 1 4.242 0.000 . 1 . . . . . 165 MET HA . 51513 1 357 . 1 . 1 47 47 MET C C 13 176.189 0.000 . 1 . . . . . 165 MET C . 51513 1 358 . 1 . 1 47 47 MET CA C 13 55.548 0.000 . 1 . . . . . 165 MET CA . 51513 1 359 . 1 . 1 47 47 MET CB C 13 32.432 0.000 . 1 . . . . . 165 MET CB . 51513 1 360 . 1 . 1 47 47 MET N N 15 121.788 0.000 . 1 . . . . . 165 MET N . 51513 1 361 . 1 . 1 48 48 ALA H H 1 8.022 0.000 . 1 . . . . . 166 ALA H . 51513 1 362 . 1 . 1 48 48 ALA HA H 1 4.089 0.000 . 1 . . . . . 166 ALA HA . 51513 1 363 . 1 . 1 48 48 ALA HB1 H 1 1.220 0.000 . 1 . . . . . 166 ALA HB1 . 51513 1 364 . 1 . 1 48 48 ALA HB2 H 1 1.220 0.000 . 1 . . . . . 166 ALA HB2 . 51513 1 365 . 1 . 1 48 48 ALA HB3 H 1 1.220 0.000 . 1 . . . . . 166 ALA HB3 . 51513 1 366 . 1 . 1 48 48 ALA C C 13 177.920 0.000 . 1 . . . . . 166 ALA C . 51513 1 367 . 1 . 1 48 48 ALA CA C 13 52.786 0.000 . 1 . . . . . 166 ALA CA . 51513 1 368 . 1 . 1 48 48 ALA CB C 13 18.976 0.000 . 1 . . . . . 166 ALA CB . 51513 1 369 . 1 . 1 48 48 ALA N N 15 125.799 0.000 . 1 . . . . . 166 ALA N . 51513 1 370 . 1 . 1 49 49 GLU H H 1 8.170 0.000 . 1 . . . . . 167 GLU H . 51513 1 371 . 1 . 1 49 49 GLU HA H 1 4.076 0.000 . 1 . . . . . 167 GLU HA . 51513 1 372 . 1 . 1 49 49 GLU C C 13 176.628 0.000 . 1 . . . . . 167 GLU C . 51513 1 373 . 1 . 1 49 49 GLU CA C 13 56.506 0.000 . 1 . . . . . 167 GLU CA . 51513 1 374 . 1 . 1 49 49 GLU CB C 13 29.776 0.000 . 1 . . . . . 167 GLU CB . 51513 1 375 . 1 . 1 49 49 GLU CG C 13 35.589 0.000 . 1 . . . . . 167 GLU CG . 51513 1 376 . 1 . 1 49 49 GLU N N 15 120.804 0.000 . 1 . . . . . 167 GLU N . 51513 1 377 . 1 . 1 50 50 LEU H H 1 8.079 0.000 . 1 . . . . . 168 LEU H . 51513 1 378 . 1 . 1 50 50 LEU C C 13 177.520 0.000 . 1 . . . . . 168 LEU C . 51513 1 379 . 1 . 1 50 50 LEU CA C 13 55.415 0.000 . 1 . . . . . 168 LEU CA . 51513 1 380 . 1 . 1 50 50 LEU CB C 13 42.219 0.000 . 1 . . . . . 168 LEU CB . 51513 1 381 . 1 . 1 50 50 LEU CD1 C 13 23.156 0.000 . 1 . . . . . 168 LEU CD1 . 51513 1 382 . 1 . 1 50 50 LEU CD2 C 13 24.642 0.000 . 1 . . . . . 168 LEU CD2 . 51513 1 383 . 1 . 1 50 50 LEU N N 15 123.782 0.000 . 1 . . . . . 168 LEU N . 51513 1 384 . 1 . 1 51 51 GLU H H 1 8.207 0.000 . 1 . . . . . 169 GLU H . 51513 1 385 . 1 . 1 51 51 GLU HA H 1 4.063 0.000 . 1 . . . . . 169 GLU HA . 51513 1 386 . 1 . 1 51 51 GLU C C 13 176.508 0.000 . 1 . . . . . 169 GLU C . 51513 1 387 . 1 . 1 51 51 GLU CA C 13 56.736 0.000 . 1 . . . . . 169 GLU CA . 51513 1 388 . 1 . 1 51 51 GLU CB C 13 30.078 0.000 . 1 . . . . . 169 GLU CB . 51513 1 389 . 1 . 1 51 51 GLU CG C 13 35.824 0.000 . 1 . . . . . 169 GLU CG . 51513 1 390 . 1 . 1 51 51 GLU N N 15 122.553 0.000 . 1 . . . . . 169 GLU N . 51513 1 391 . 1 . 1 52 52 GLU H H 1 8.318 0.000 . 1 . . . . . 170 GLU H . 51513 1 392 . 1 . 1 52 52 GLU HA H 1 4.116 0.000 . 1 . . . . . 170 GLU HA . 51513 1 393 . 1 . 1 52 52 GLU C C 13 176.415 0.000 . 1 . . . . . 170 GLU C . 51513 1 394 . 1 . 1 52 52 GLU CA C 13 56.505 0.000 . 1 . . . . . 170 GLU CA . 51513 1 395 . 1 . 1 52 52 GLU CB C 13 29.831 0.000 . 1 . . . . . 170 GLU CB . 51513 1 396 . 1 . 1 52 52 GLU CG C 13 35.511 0.000 . 1 . . . . . 170 GLU CG . 51513 1 397 . 1 . 1 52 52 GLU N N 15 123.316 0.000 . 1 . . . . . 170 GLU N . 51513 1 398 . 1 . 1 53 53 LEU H H 1 8.095 0.000 . 1 . . . . . 171 LEU H . 51513 1 399 . 1 . 1 53 53 LEU C C 13 177.587 0.000 . 1 . . . . . 171 LEU C . 51513 1 400 . 1 . 1 53 53 LEU CA C 13 55.335 0.000 . 1 . . . . . 171 LEU CA . 51513 1 401 . 1 . 1 53 53 LEU CB C 13 42.408 0.000 . 1 . . . . . 171 LEU CB . 51513 1 402 . 1 . 1 53 53 LEU CD1 C 13 23.156 0.000 . 1 . . . . . 171 LEU CD1 . 51513 1 403 . 1 . 1 53 53 LEU CD2 C 13 24.642 0.000 . 1 . . . . . 171 LEU CD2 . 51513 1 404 . 1 . 1 53 53 LEU N N 15 124.175 0.000 . 1 . . . . . 171 LEU N . 51513 1 405 . 1 . 1 54 54 GLU H H 1 8.259 0.000 . 1 . . . . . 172 GLU H . 51513 1 406 . 1 . 1 54 54 GLU CA C 13 56.733 0.000 . 1 . . . . . 172 GLU CA . 51513 1 407 . 1 . 1 54 54 GLU CB C 13 29.702 0.000 . 1 . . . . . 172 GLU CB . 51513 1 408 . 1 . 1 54 54 GLU N N 15 122.529 0.000 . 1 . . . . . 172 GLU N . 51513 1 409 . 1 . 1 55 55 GLN H H 1 7.939 0.000 . 1 . . . . . 173 GLN H . 51513 1 410 . 1 . 1 55 55 GLN HA H 1 4.029 0.000 . 1 . . . . . 173 GLN HA . 51513 1 411 . 1 . 1 55 55 GLN C C 13 176.841 0.000 . 1 . . . . . 173 GLN C . 51513 1 412 . 1 . 1 55 55 GLN CA C 13 56.748 0.000 . 1 . . . . . 173 GLN CA . 51513 1 413 . 1 . 1 55 55 GLN CB C 13 28.828 0.000 . 1 . . . . . 173 GLN CB . 51513 1 414 . 1 . 1 55 55 GLN N N 15 122.372 0.000 . 1 . . . . . 173 GLN N . 51513 1 415 . 1 . 1 56 56 GLU H H 1 8.191 0.000 . 1 . . . . . 174 GLU H . 51513 1 416 . 1 . 1 56 56 GLU HA H 1 4.076 0.000 . 1 . . . . . 174 GLU HA . 51513 1 417 . 1 . 1 56 56 GLU C C 13 176.641 0.000 . 1 . . . . . 174 GLU C . 51513 1 418 . 1 . 1 56 56 GLU CA C 13 56.733 0.000 . 1 . . . . . 174 GLU CA . 51513 1 419 . 1 . 1 56 56 GLU CB C 13 29.636 0.000 . 1 . . . . . 174 GLU CB . 51513 1 420 . 1 . 1 56 56 GLU CG C 13 35.746 0.000 . 1 . . . . . 174 GLU CG . 51513 1 421 . 1 . 1 56 56 GLU N N 15 121.581 0.000 . 1 . . . . . 174 GLU N . 51513 1 422 . 1 . 1 57 57 GLU H H 1 8.243 0.000 . 1 . . . . . 175 GLU H . 51513 1 423 . 1 . 1 57 57 GLU HA H 1 4.076 0.000 . 1 . . . . . 175 GLU HA . 51513 1 424 . 1 . 1 57 57 GLU C C 13 176.655 0.000 . 1 . . . . . 175 GLU C . 51513 1 425 . 1 . 1 57 57 GLU CA C 13 56.735 0.000 . 1 . . . . . 175 GLU CA . 51513 1 426 . 1 . 1 57 57 GLU CB C 13 29.835 0.000 . 1 . . . . . 175 GLU CB . 51513 1 427 . 1 . 1 57 57 GLU CG C 13 35.746 0.000 . 1 . . . . . 175 GLU CG . 51513 1 428 . 1 . 1 57 57 GLU N N 15 122.563 0.000 . 1 . . . . . 175 GLU N . 51513 1 429 . 1 . 1 58 58 LEU H H 1 8.040 0.000 . 1 . . . . . 176 LEU H . 51513 1 430 . 1 . 1 58 58 LEU HA H 1 4.096 0.000 . 1 . . . . . 176 LEU HA . 51513 1 431 . 1 . 1 58 58 LEU C C 13 177.467 0.000 . 1 . . . . . 176 LEU C . 51513 1 432 . 1 . 1 58 58 LEU CA C 13 55.662 0.000 . 1 . . . . . 176 LEU CA . 51513 1 433 . 1 . 1 58 58 LEU CB C 13 42.286 0.000 . 1 . . . . . 176 LEU CB . 51513 1 434 . 1 . 1 58 58 LEU CD1 C 13 23.156 0.000 . 1 . . . . . 176 LEU CD1 . 51513 1 435 . 1 . 1 58 58 LEU CD2 C 13 24.642 0.000 . 1 . . . . . 176 LEU CD2 . 51513 1 436 . 1 . 1 58 58 LEU N N 15 124.012 0.000 . 1 . . . . . 176 LEU N . 51513 1 437 . 1 . 1 59 59 ASP H H 1 8.226 0.000 . 1 . . . . . 177 ASP H . 51513 1 438 . 1 . 1 59 59 ASP HA H 1 4.356 0.000 . 1 . . . . . 177 ASP HA . 51513 1 439 . 1 . 1 59 59 ASP HB2 H 1 2.471 0.000 . 1 . . . . . 177 ASP HB2 . 51513 1 440 . 1 . 1 59 59 ASP HB3 H 1 2.564 0.000 . 1 . . . . . 177 ASP HB3 . 51513 1 441 . 1 . 1 59 59 ASP C C 13 176.748 0.000 . 1 . . . . . 177 ASP C . 51513 1 442 . 1 . 1 59 59 ASP CA C 13 54.622 0.000 . 1 . . . . . 177 ASP CA . 51513 1 443 . 1 . 1 59 59 ASP CB C 13 40.611 0.000 . 1 . . . . . 177 ASP CB . 51513 1 444 . 1 . 1 59 59 ASP N N 15 121.352 0.000 . 1 . . . . . 177 ASP N . 51513 1 445 . 1 . 1 60 60 LYS H H 1 8.012 0.000 . 1 . . . . . 178 LYS H . 51513 1 446 . 1 . 1 60 60 LYS HA H 1 4.003 0.000 . 1 . . . . . 178 LYS HA . 51513 1 447 . 1 . 1 60 60 LYS C C 13 176.894 0.000 . 1 . . . . . 178 LYS C . 51513 1 448 . 1 . 1 60 60 LYS CA C 13 57.198 0.000 . 1 . . . . . 178 LYS CA . 51513 1 449 . 1 . 1 60 60 LYS CB C 13 32.498 0.000 . 1 . . . . . 178 LYS CB . 51513 1 450 . 1 . 1 60 60 LYS CG C 13 24.408 0.000 . 1 . . . . . 178 LYS CG . 51513 1 451 . 1 . 1 60 60 LYS CD C 13 28.865 0.000 . 1 . . . . . 178 LYS CD . 51513 1 452 . 1 . 1 60 60 LYS N N 15 122.768 0.000 . 1 . . . . . 178 LYS N . 51513 1 453 . 1 . 1 61 61 ASN H H 1 8.301 0.000 . 1 . . . . . 179 ASN H . 51513 1 454 . 1 . 1 61 61 ASN HA H 1 4.455 0.000 . 1 . . . . . 179 ASN HA . 51513 1 455 . 1 . 1 61 61 ASN C C 13 175.563 0.000 . 1 . . . . . 179 ASN C . 51513 1 456 . 1 . 1 61 61 ASN CA C 13 53.709 0.000 . 1 . . . . . 179 ASN CA . 51513 1 457 . 1 . 1 61 61 ASN CB C 13 38.451 0.000 . 1 . . . . . 179 ASN CB . 51513 1 458 . 1 . 1 61 61 ASN N N 15 119.365 0.000 . 1 . . . . . 179 ASN N . 51513 1 459 . 1 . 1 62 62 LEU H H 1 7.873 0.000 . 1 . . . . . 180 LEU H . 51513 1 460 . 1 . 1 62 62 LEU HA H 1 4.103 0.000 . 1 . . . . . 180 LEU HA . 51513 1 461 . 1 . 1 62 62 LEU C C 13 177.387 0.000 . 1 . . . . . 180 LEU C . 51513 1 462 . 1 . 1 62 62 LEU CA C 13 55.574 0.000 . 1 . . . . . 180 LEU CA . 51513 1 463 . 1 . 1 62 62 LEU CB C 13 41.953 0.000 . 1 . . . . . 180 LEU CB . 51513 1 464 . 1 . 1 62 62 LEU CD1 C 13 23.000 0.000 . 1 . . . . . 180 LEU CD1 . 51513 1 465 . 1 . 1 62 62 LEU CD2 C 13 24.642 0.000 . 1 . . . . . 180 LEU CD2 . 51513 1 466 . 1 . 1 62 62 LEU N N 15 122.288 0.000 . 1 . . . . . 180 LEU N . 51513 1 467 . 1 . 1 63 63 LEU H H 1 7.810 0.000 . 1 . . . . . 181 LEU H . 51513 1 468 . 1 . 1 63 63 LEU HA H 1 4.136 0.000 . 1 . . . . . 181 LEU HA . 51513 1 469 . 1 . 1 63 63 LEU C C 13 177.307 0.000 . 1 . . . . . 181 LEU C . 51513 1 470 . 1 . 1 63 63 LEU CA C 13 55.343 0.000 . 1 . . . . . 181 LEU CA . 51513 1 471 . 1 . 1 63 63 LEU CB C 13 42.214 0.000 . 1 . . . . . 181 LEU CB . 51513 1 472 . 1 . 1 63 63 LEU CD1 C 13 23.000 0.000 . 1 . . . . . 181 LEU CD1 . 51513 1 473 . 1 . 1 63 63 LEU CD2 C 13 24.642 0.000 . 1 . . . . . 181 LEU CD2 . 51513 1 474 . 1 . 1 63 63 LEU N N 15 122.037 0.000 . 1 . . . . . 181 LEU N . 51513 1 475 . 1 . 1 64 64 GLU H H 1 7.994 0.000 . 1 . . . . . 182 GLU H . 51513 1 476 . 1 . 1 64 64 GLU HA H 1 4.103 0.000 . 1 . . . . . 182 GLU HA . 51513 1 477 . 1 . 1 64 64 GLU C C 13 176.229 0.000 . 1 . . . . . 182 GLU C . 51513 1 478 . 1 . 1 64 64 GLU CA C 13 56.485 0.000 . 1 . . . . . 182 GLU CA . 51513 1 479 . 1 . 1 64 64 GLU CB C 13 29.968 0.000 . 1 . . . . . 182 GLU CB . 51513 1 480 . 1 . 1 64 64 GLU N N 15 121.769 0.000 . 1 . . . . . 182 GLU N . 51513 1 481 . 1 . 1 65 65 ILE H H 1 7.953 0.000 . 1 . . . . . 183 ILE H . 51513 1 482 . 1 . 1 65 65 ILE HA H 1 4.016 0.000 . 1 . . . . . 183 ILE HA . 51513 1 483 . 1 . 1 65 65 ILE HD11 H 1 0.727 0.000 . 1 . . . . . 183 ILE HD11 . 51513 1 484 . 1 . 1 65 65 ILE HD12 H 1 0.727 0.000 . 1 . . . . . 183 ILE HD12 . 51513 1 485 . 1 . 1 65 65 ILE HD13 H 1 0.727 0.000 . 1 . . . . . 183 ILE HD13 . 51513 1 486 . 1 . 1 65 65 ILE C C 13 176.189 0.000 . 1 . . . . . 183 ILE C . 51513 1 487 . 1 . 1 65 65 ILE CA C 13 61.112 0.000 . 1 . . . . . 183 ILE CA . 51513 1 488 . 1 . 1 65 65 ILE CB C 13 38.491 0.000 . 1 . . . . . 183 ILE CB . 51513 1 489 . 1 . 1 65 65 ILE CG1 C 13 26.832 0.000 . 1 . . . . . 183 ILE CG1 . 51513 1 490 . 1 . 1 65 65 ILE CG2 C 13 17.214 0.000 . 1 . . . . . 183 ILE CG2 . 51513 1 491 . 1 . 1 65 65 ILE CD1 C 13 12.287 0.000 . 1 . . . . . 183 ILE CD1 . 51513 1 492 . 1 . 1 65 65 ILE N N 15 122.356 0.000 . 1 . . . . . 183 ILE N . 51513 1 493 . 1 . 1 66 66 CYS H H 1 8.306 0.000 . 1 . . . . . 184 CYS H . 51513 1 494 . 1 . 1 66 66 CYS HA H 1 4.389 0.000 . 1 . . . . . 184 CYS HA . 51513 1 495 . 1 . 1 66 66 CYS HB2 H 1 2.738 0.000 . 1 . . . . . 184 CYS HB2 . 51513 1 496 . 1 . 1 66 66 CYS HB3 H 1 2.791 0.000 . 1 . . . . . 184 CYS HB3 . 51513 1 497 . 1 . 1 66 66 CYS C C 13 174.524 0.000 . 1 . . . . . 184 CYS C . 51513 1 498 . 1 . 1 66 66 CYS CA C 13 58.379 0.000 . 1 . . . . . 184 CYS CA . 51513 1 499 . 1 . 1 66 66 CYS CB C 13 28.107 0.000 . 1 . . . . . 184 CYS CB . 51513 1 500 . 1 . 1 66 66 CYS N N 15 124.064 0.000 . 1 . . . . . 184 CYS N . 51513 1 501 . 1 . 1 67 67 GLY H H 1 8.221 0.000 . 1 . . . . . 185 GLY H . 51513 1 502 . 1 . 1 67 67 GLY C C 13 171.808 0.000 . 1 . . . . . 185 GLY C . 51513 1 503 . 1 . 1 67 67 GLY CA C 13 44.551 0.000 . 1 . . . . . 185 GLY CA . 51513 1 504 . 1 . 1 67 67 GLY N N 15 112.225 0.000 . 1 . . . . . 185 GLY N . 51513 1 505 . 1 . 1 68 68 PRO HA H 1 4.262 0.000 . 1 . . . . . 186 PRO HA . 51513 1 506 . 1 . 1 68 68 PRO HB2 H 1 2.118 0.000 . 1 . . . . . 186 PRO HB2 . 51513 1 507 . 1 . 1 68 68 PRO HB3 H 1 2.118 0.000 . 1 . . . . . 186 PRO HB3 . 51513 1 508 . 1 . 1 68 68 PRO HG2 H 1 1.819 0.000 . 1 . . . . . 186 PRO HG2 . 51513 1 509 . 1 . 1 68 68 PRO HG3 H 1 1.819 0.000 . 1 . . . . . 186 PRO HG3 . 51513 1 510 . 1 . 1 68 68 PRO HD2 H 1 3.477 0.000 . 1 . . . . . 186 PRO HD2 . 51513 1 511 . 1 . 1 68 68 PRO HD3 H 1 3.477 0.000 . 1 . . . . . 186 PRO HD3 . 51513 1 512 . 1 . 1 68 68 PRO C C 13 177.081 0.000 . 1 . . . . . 186 PRO C . 51513 1 513 . 1 . 1 68 68 PRO CA C 13 63.325 0.000 . 1 . . . . . 186 PRO CA . 51513 1 514 . 1 . 1 68 68 PRO CB C 13 31.907 0.000 . 1 . . . . . 186 PRO CB . 51513 1 515 . 1 . 1 68 68 PRO CG C 13 26.910 0.000 . 1 . . . . . 186 PRO CG . 51513 1 516 . 1 . 1 68 68 PRO CD C 13 49.508 0.000 . 1 . . . . . 186 PRO CD . 51513 1 517 . 1 . 1 69 69 GLU H H 1 8.530 0.000 . 1 . . . . . 187 GLU H . 51513 1 518 . 1 . 1 69 69 GLU HA H 1 4.136 0.000 . 1 . . . . . 187 GLU HA . 51513 1 519 . 1 . 1 69 69 GLU C C 13 176.628 0.000 . 1 . . . . . 187 GLU C . 51513 1 520 . 1 . 1 69 69 GLU CA C 13 56.723 0.000 . 1 . . . . . 187 GLU CA . 51513 1 521 . 1 . 1 69 69 GLU CB C 13 29.702 0.000 . 1 . . . . . 187 GLU CB . 51513 1 522 . 1 . 1 69 69 GLU CG C 13 35.980 0.000 . 1 . . . . . 187 GLU CG . 51513 1 523 . 1 . 1 69 69 GLU N N 15 121.145 0.000 . 1 . . . . . 187 GLU N . 51513 1 524 . 1 . 1 70 70 THR H H 1 8.021 0.000 . 1 . . . . . 188 THR H . 51513 1 525 . 1 . 1 70 70 THR HG21 H 1 1.000 0.000 . 1 . . . . . 188 THR HG21 . 51513 1 526 . 1 . 1 70 70 THR HG22 H 1 1.000 0.000 . 1 . . . . . 188 THR HG22 . 51513 1 527 . 1 . 1 70 70 THR HG23 H 1 1.000 0.000 . 1 . . . . . 188 THR HG23 . 51513 1 528 . 1 . 1 70 70 THR C C 13 174.045 0.000 . 1 . . . . . 188 THR C . 51513 1 529 . 1 . 1 70 70 THR CA C 13 61.890 0.000 . 1 . . . . . 188 THR CA . 51513 1 530 . 1 . 1 70 70 THR CB C 13 69.783 0.000 . 1 . . . . . 188 THR CB . 51513 1 531 . 1 . 1 70 70 THR CG2 C 13 21.280 0.000 . 1 . . . . . 188 THR CG2 . 51513 1 532 . 1 . 1 70 70 THR N N 15 116.727 0.000 . 1 . . . . . 188 THR N . 51513 1 533 . 1 . 1 71 71 VAL H H 1 8.009 0.000 . 1 . . . . . 189 VAL H . 51513 1 534 . 1 . 1 71 71 VAL C C 13 174.098 0.000 . 1 . . . . . 189 VAL C . 51513 1 535 . 1 . 1 71 71 VAL CA C 13 59.793 0.000 . 1 . . . . . 189 VAL CA . 51513 1 536 . 1 . 1 71 71 VAL CB C 13 32.432 0.000 . 1 . . . . . 189 VAL CB . 51513 1 537 . 1 . 1 71 71 VAL N N 15 125.291 0.000 . 1 . . . . . 189 VAL N . 51513 1 538 . 1 . 1 72 72 PRO HA H 1 4.236 0.000 . 1 . . . . . 190 PRO HA . 51513 1 539 . 1 . 1 72 72 PRO HD2 H 1 3.497 0.000 . 1 . . . . . 190 PRO HD2 . 51513 1 540 . 1 . 1 72 72 PRO HD3 H 1 3.696 0.000 . 1 . . . . . 190 PRO HD3 . 51513 1 541 . 1 . 1 72 72 PRO C C 13 176.455 0.000 . 1 . . . . . 190 PRO C . 51513 1 542 . 1 . 1 72 72 PRO CA C 13 62.725 0.000 . 1 . . . . . 190 PRO CA . 51513 1 543 . 1 . 1 72 72 PRO CB C 13 31.886 0.000 . 1 . . . . . 190 PRO CB . 51513 1 544 . 1 . 1 72 72 PRO CG C 13 27.066 0.000 . 1 . . . . . 190 PRO CG . 51513 1 545 . 1 . 1 72 72 PRO CD C 13 50.838 0.000 . 1 . . . . . 190 PRO CD . 51513 1 546 . 1 . 1 73 73 LEU H H 1 8.157 0.000 . 1 . . . . . 191 LEU H . 51513 1 547 . 1 . 1 73 73 LEU C C 13 175.510 0.000 . 1 . . . . . 191 LEU C . 51513 1 548 . 1 . 1 73 73 LEU CA C 13 52.872 0.000 . 1 . . . . . 191 LEU CA . 51513 1 549 . 1 . 1 73 73 LEU CB C 13 41.515 0.000 . 1 . . . . . 191 LEU CB . 51513 1 550 . 1 . 1 73 73 LEU N N 15 124.445 0.000 . 1 . . . . . 191 LEU N . 51513 1 551 . 1 . 1 74 74 PRO HA H 1 4.222 0.000 . 1 . . . . . 192 PRO HA . 51513 1 552 . 1 . 1 74 74 PRO HB2 H 1 2.092 0.000 . 1 . . . . . 192 PRO HB2 . 51513 1 553 . 1 . 1 74 74 PRO HB3 H 1 2.092 0.000 . 1 . . . . . 192 PRO HB3 . 51513 1 554 . 1 . 1 74 74 PRO HG2 H 1 1.712 0.000 . 1 . . . . . 192 PRO HG2 . 51513 1 555 . 1 . 1 74 74 PRO HG3 H 1 1.845 0.000 . 1 . . . . . 192 PRO HG3 . 51513 1 556 . 1 . 1 74 74 PRO HD2 H 1 3.477 0.000 . 1 . . . . . 192 PRO HD2 . 51513 1 557 . 1 . 1 74 74 PRO HD3 H 1 3.656 0.000 . 1 . . . . . 192 PRO HD3 . 51513 1 558 . 1 . 1 74 74 PRO C C 13 176.482 0.000 . 1 . . . . . 192 PRO C . 51513 1 559 . 1 . 1 74 74 PRO CA C 13 63.072 0.000 . 1 . . . . . 192 PRO CA . 51513 1 560 . 1 . 1 74 74 PRO CB C 13 31.833 0.000 . 1 . . . . . 192 PRO CB . 51513 1 561 . 1 . 1 74 74 PRO CG C 13 27.066 0.000 . 1 . . . . . 192 PRO CG . 51513 1 562 . 1 . 1 74 74 PRO CD C 13 50.290 0.000 . 1 . . . . . 192 PRO CD . 51513 1 563 . 1 . 1 75 75 ASN H H 1 8.316 0.000 . 1 . . . . . 193 ASN H . 51513 1 564 . 1 . 1 75 75 ASN HA H 1 4.475 0.000 . 1 . . . . . 193 ASN HA . 51513 1 565 . 1 . 1 75 75 ASN C C 13 174.671 0.000 . 1 . . . . . 193 ASN C . 51513 1 566 . 1 . 1 75 75 ASN CA C 13 53.090 0.000 . 1 . . . . . 193 ASN CA . 51513 1 567 . 1 . 1 75 75 ASN CB C 13 38.685 0.000 . 1 . . . . . 193 ASN CB . 51513 1 568 . 1 . 1 75 75 ASN N N 15 119.267 0.000 . 1 . . . . . 193 ASN N . 51513 1 569 . 1 . 1 76 76 VAL H H 1 7.880 0.000 . 1 . . . . . 194 VAL H . 51513 1 570 . 1 . 1 76 76 VAL C C 13 174.218 0.000 . 1 . . . . . 194 VAL C . 51513 1 571 . 1 . 1 76 76 VAL CA C 13 59.796 0.000 . 1 . . . . . 194 VAL CA . 51513 1 572 . 1 . 1 76 76 VAL CB C 13 32.498 0.000 . 1 . . . . . 194 VAL CB . 51513 1 573 . 1 . 1 76 76 VAL N N 15 122.472 0.000 . 1 . . . . . 194 VAL N . 51513 1 574 . 1 . 1 77 77 PRO HA H 1 4.262 0.000 . 1 . . . . . 195 PRO HA . 51513 1 575 . 1 . 1 77 77 PRO HB2 H 1 2.125 0.000 . 1 . . . . . 195 PRO HB2 . 51513 1 576 . 1 . 1 77 77 PRO HB3 H 1 2.125 0.000 . 1 . . . . . 195 PRO HB3 . 51513 1 577 . 1 . 1 77 77 PRO HG2 H 1 1.732 0.000 . 1 . . . . . 195 PRO HG2 . 51513 1 578 . 1 . 1 77 77 PRO HG3 H 1 1.845 0.000 . 1 . . . . . 195 PRO HG3 . 51513 1 579 . 1 . 1 77 77 PRO HD2 H 1 3.523 0.000 . 1 . . . . . 195 PRO HD2 . 51513 1 580 . 1 . 1 77 77 PRO HD3 H 1 3.663 0.000 . 1 . . . . . 195 PRO HD3 . 51513 1 581 . 1 . 1 77 77 PRO C C 13 176.748 0.000 . 1 . . . . . 195 PRO C . 51513 1 582 . 1 . 1 77 77 PRO CA C 13 63.138 0.000 . 1 . . . . . 195 PRO CA . 51513 1 583 . 1 . 1 77 77 PRO CB C 13 32.032 0.000 . 1 . . . . . 195 PRO CB . 51513 1 584 . 1 . 1 77 77 PRO CG C 13 26.988 0.000 . 1 . . . . . 195 PRO CG . 51513 1 585 . 1 . 1 77 77 PRO CD C 13 50.759 0.000 . 1 . . . . . 195 PRO CD . 51513 1 586 . 1 . 1 78 78 SER H H 1 8.254 0.000 . 1 . . . . . 196 SER H . 51513 1 587 . 1 . 1 78 78 SER HA H 1 4.249 0.000 . 1 . . . . . 196 SER HA . 51513 1 588 . 1 . 1 78 78 SER HB2 H 1 3.676 0.000 . 1 . . . . . 196 SER HB2 . 51513 1 589 . 1 . 1 78 78 SER HB3 H 1 3.676 0.000 . 1 . . . . . 196 SER HB3 . 51513 1 590 . 1 . 1 78 78 SER C C 13 174.458 0.000 . 1 . . . . . 196 SER C . 51513 1 591 . 1 . 1 78 78 SER CA C 13 58.199 0.000 . 1 . . . . . 196 SER CA . 51513 1 592 . 1 . 1 78 78 SER CB C 13 63.555 0.000 . 1 . . . . . 196 SER CB . 51513 1 593 . 1 . 1 78 78 SER N N 15 117.062 0.000 . 1 . . . . . 196 SER N . 51513 1 594 . 1 . 1 79 79 ILE H H 1 7.948 0.000 . 1 . . . . . 197 ILE H . 51513 1 595 . 1 . 1 79 79 ILE HA H 1 4.016 0.000 . 1 . . . . . 197 ILE HA . 51513 1 596 . 1 . 1 79 79 ILE HD11 H 1 0.720 0.000 . 1 . . . . . 197 ILE HD11 . 51513 1 597 . 1 . 1 79 79 ILE HD12 H 1 0.720 0.000 . 1 . . . . . 197 ILE HD12 . 51513 1 598 . 1 . 1 79 79 ILE HD13 H 1 0.720 0.000 . 1 . . . . . 197 ILE HD13 . 51513 1 599 . 1 . 1 79 79 ILE C C 13 175.443 0.000 . 1 . . . . . 197 ILE C . 51513 1 600 . 1 . 1 79 79 ILE CA C 13 60.837 0.000 . 1 . . . . . 197 ILE CA . 51513 1 601 . 1 . 1 79 79 ILE CB C 13 38.890 0.000 . 1 . . . . . 197 ILE CB . 51513 1 602 . 1 . 1 79 79 ILE CG1 C 13 26.753 0.000 . 1 . . . . . 197 ILE CG1 . 51513 1 603 . 1 . 1 79 79 ILE CG2 C 13 17.214 0.000 . 1 . . . . . 197 ILE CG2 . 51513 1 604 . 1 . 1 79 79 ILE CD1 C 13 12.678 0.000 . 1 . . . . . 197 ILE CD1 . 51513 1 605 . 1 . 1 79 79 ILE N N 15 123.022 0.000 . 1 . . . . . 197 ILE N . 51513 1 606 . 1 . 1 80 80 ALA H H 1 8.156 0.000 . 1 . . . . . 198 ALA H . 51513 1 607 . 1 . 1 80 80 ALA HA H 1 4.156 0.000 . 1 . . . . . 198 ALA HA . 51513 1 608 . 1 . 1 80 80 ALA HB1 H 1 1.160 0.000 . 1 . . . . . 198 ALA HB1 . 51513 1 609 . 1 . 1 80 80 ALA HB2 H 1 1.160 0.000 . 1 . . . . . 198 ALA HB2 . 51513 1 610 . 1 . 1 80 80 ALA HB3 H 1 1.160 0.000 . 1 . . . . . 198 ALA HB3 . 51513 1 611 . 1 . 1 80 80 ALA C C 13 177.041 0.000 . 1 . . . . . 198 ALA C . 51513 1 612 . 1 . 1 80 80 ALA CA C 13 51.926 0.000 . 1 . . . . . 198 ALA CA . 51513 1 613 . 1 . 1 80 80 ALA CB C 13 18.989 0.000 . 1 . . . . . 198 ALA CB . 51513 1 614 . 1 . 1 80 80 ALA N N 15 128.886 0.000 . 1 . . . . . 198 ALA N . 51513 1 615 . 1 . 1 81 81 LEU H H 1 8.085 0.000 . 1 . . . . . 199 LEU H . 51513 1 616 . 1 . 1 81 81 LEU C C 13 175.217 0.000 . 1 . . . . . 199 LEU C . 51513 1 617 . 1 . 1 81 81 LEU CA C 13 52.739 0.000 . 1 . . . . . 199 LEU CA . 51513 1 618 . 1 . 1 81 81 LEU CB C 13 41.523 0.000 . 1 . . . . . 199 LEU CB . 51513 1 619 . 1 . 1 81 81 LEU N N 15 124.232 0.000 . 1 . . . . . 199 LEU N . 51513 1 620 . 1 . 1 82 82 PRO HA H 1 4.262 0.000 . 1 . . . . . 200 PRO HA . 51513 1 621 . 1 . 1 82 82 PRO HB2 H 1 2.125 0.000 . 1 . . . . . 200 PRO HB2 . 51513 1 622 . 1 . 1 82 82 PRO HB3 H 1 2.125 0.000 . 1 . . . . . 200 PRO HB3 . 51513 1 623 . 1 . 1 82 82 PRO HG2 H 1 1.732 0.000 . 1 . . . . . 200 PRO HG2 . 51513 1 624 . 1 . 1 82 82 PRO HG3 H 1 1.852 0.000 . 1 . . . . . 200 PRO HG3 . 51513 1 625 . 1 . 1 82 82 PRO HD2 H 1 3.470 0.000 . 1 . . . . . 200 PRO HD2 . 51513 1 626 . 1 . 1 82 82 PRO HD3 H 1 3.663 0.000 . 1 . . . . . 200 PRO HD3 . 51513 1 627 . 1 . 1 82 82 PRO C C 13 176.806 0.000 . 1 . . . . . 200 PRO C . 51513 1 628 . 1 . 1 82 82 PRO CA C 13 63.055 0.000 . 1 . . . . . 200 PRO CA . 51513 1 629 . 1 . 1 82 82 PRO CB C 13 31.899 0.000 . 1 . . . . . 200 PRO CB . 51513 1 630 . 1 . 1 82 82 PRO CG C 13 27.066 0.000 . 1 . . . . . 200 PRO CG . 51513 1 631 . 1 . 1 82 82 PRO CD C 13 50.290 0.000 . 1 . . . . . 200 PRO CD . 51513 1 632 . 1 . 1 83 83 SER H H 1 8.223 0.000 . 1 . . . . . 201 SER H . 51513 1 633 . 1 . 1 83 83 SER HA H 1 4.229 0.000 . 1 . . . . . 201 SER HA . 51513 1 634 . 1 . 1 83 83 SER HB2 H 1 3.656 0.000 . 1 . . . . . 201 SER HB2 . 51513 1 635 . 1 . 1 83 83 SER HB3 H 1 3.656 0.000 . 1 . . . . . 201 SER HB3 . 51513 1 636 . 1 . 1 83 83 SER C C 13 174.082 0.000 . 1 . . . . . 201 SER C . 51513 1 637 . 1 . 1 83 83 SER CA C 13 58.119 0.000 . 1 . . . . . 201 SER CA . 51513 1 638 . 1 . 1 83 83 SER CB C 13 63.778 0.000 . 1 . . . . . 201 SER CB . 51513 1 639 . 1 . 1 83 83 SER N N 15 117.111 0.000 . 1 . . . . . 201 SER N . 51513 1 640 . 1 . 1 84 84 LYS H H 1 8.172 0.000 . 1 . . . . . 202 LYS H . 51513 1 641 . 1 . 1 84 84 LYS C C 13 174.178 0.000 . 1 . . . . . 202 LYS C . 51513 1 642 . 1 . 1 84 84 LYS CA C 13 54.132 0.000 . 1 . . . . . 202 LYS CA . 51513 1 643 . 1 . 1 84 84 LYS CB C 13 32.549 0.000 . 1 . . . . . 202 LYS CB . 51513 1 644 . 1 . 1 84 84 LYS N N 15 124.836 0.000 . 1 . . . . . 202 LYS N . 51513 1 645 . 1 . 1 85 85 PRO HA H 1 4.209 0.000 . 1 . . . . . 203 PRO HA . 51513 1 646 . 1 . 1 85 85 PRO HB2 H 1 2.112 0.000 . 1 . . . . . 203 PRO HB2 . 51513 1 647 . 1 . 1 85 85 PRO HB3 H 1 2.112 0.000 . 1 . . . . . 203 PRO HB3 . 51513 1 648 . 1 . 1 85 85 PRO HG2 H 1 1.706 0.000 . 1 . . . . . 203 PRO HG2 . 51513 1 649 . 1 . 1 85 85 PRO HG3 H 1 1.832 0.000 . 1 . . . . . 203 PRO HG3 . 51513 1 650 . 1 . 1 85 85 PRO HD2 H 1 3.437 0.000 . 1 . . . . . 203 PRO HD2 . 51513 1 651 . 1 . 1 85 85 PRO HD3 H 1 3.630 0.000 . 1 . . . . . 203 PRO HD3 . 51513 1 652 . 1 . 1 85 85 PRO C C 13 176.410 0.000 . 1 . . . . . 203 PRO C . 51513 1 653 . 1 . 1 85 85 PRO CA C 13 62.839 0.000 . 1 . . . . . 203 PRO CA . 51513 1 654 . 1 . 1 85 85 PRO CB C 13 31.898 0.000 . 1 . . . . . 203 PRO CB . 51513 1 655 . 1 . 1 85 85 PRO CG C 13 27.066 0.000 . 1 . . . . . 203 PRO CG . 51513 1 656 . 1 . 1 85 85 PRO CD C 13 50.368 0.000 . 1 . . . . . 203 PRO CD . 51513 1 657 . 1 . 1 86 86 ALA H H 1 8.279 0.000 . 1 . . . . . 204 ALA H . 51513 1 658 . 1 . 1 86 86 ALA HA H 1 4.103 0.000 . 1 . . . . . 204 ALA HA . 51513 1 659 . 1 . 1 86 86 ALA HB1 H 1 1.200 0.000 . 1 . . . . . 204 ALA HB1 . 51513 1 660 . 1 . 1 86 86 ALA HB2 H 1 1.200 0.000 . 1 . . . . . 204 ALA HB2 . 51513 1 661 . 1 . 1 86 86 ALA HB3 H 1 1.200 0.000 . 1 . . . . . 204 ALA HB3 . 51513 1 662 . 1 . 1 86 86 ALA C C 13 177.557 0.000 . 1 . . . . . 204 ALA C . 51513 1 663 . 1 . 1 86 86 ALA CA C 13 52.060 0.000 . 1 . . . . . 204 ALA CA . 51513 1 664 . 1 . 1 86 86 ALA CB C 13 19.214 0.000 . 1 . . . . . 204 ALA CB . 51513 1 665 . 1 . 1 86 86 ALA N N 15 125.620 0.000 . 1 . . . . . 204 ALA N . 51513 1 666 . 1 . 1 87 87 LYS H H 1 8.139 0.000 . 1 . . . . . 205 LYS H . 51513 1 667 . 1 . 1 87 87 LYS HA H 1 4.103 0.000 . 1 . . . . . 205 LYS HA . 51513 1 668 . 1 . 1 87 87 LYS C C 13 176.415 0.000 . 1 . . . . . 205 LYS C . 51513 1 669 . 1 . 1 87 87 LYS CA C 13 55.899 0.000 . 1 . . . . . 205 LYS CA . 51513 1 670 . 1 . 1 87 87 LYS CB C 13 33.265 0.000 . 1 . . . . . 205 LYS CB . 51513 1 671 . 1 . 1 87 87 LYS CG C 13 24.329 0.000 . 1 . . . . . 205 LYS CG . 51513 1 672 . 1 . 1 87 87 LYS CD C 13 28.865 0.000 . 1 . . . . . 205 LYS CD . 51513 1 673 . 1 . 1 87 87 LYS N N 15 122.047 0.000 . 1 . . . . . 205 LYS N . 51513 1 674 . 1 . 1 88 88 LYS H H 1 8.367 0.000 . 1 . . . . . 206 LYS H . 51513 1 675 . 1 . 1 88 88 LYS HA H 1 4.103 0.000 . 1 . . . . . 206 LYS HA . 51513 1 676 . 1 . 1 88 88 LYS C C 13 176.575 0.000 . 1 . . . . . 206 LYS C . 51513 1 677 . 1 . 1 88 88 LYS CA C 13 56.124 0.000 . 1 . . . . . 206 LYS CA . 51513 1 678 . 1 . 1 88 88 LYS CB C 13 33.065 0.000 . 1 . . . . . 206 LYS CB . 51513 1 679 . 1 . 1 88 88 LYS CG C 13 24.408 0.000 . 1 . . . . . 206 LYS CG . 51513 1 680 . 1 . 1 88 88 LYS CD C 13 28.865 0.000 . 1 . . . . . 206 LYS CD . 51513 1 681 . 1 . 1 88 88 LYS N N 15 124.873 0.000 . 1 . . . . . 206 LYS N . 51513 1 682 . 1 . 1 89 89 LYS H H 1 8.361 0.000 . 1 . . . . . 207 LYS H . 51513 1 683 . 1 . 1 89 89 LYS HA H 1 4.049 0.000 . 1 . . . . . 207 LYS HA . 51513 1 684 . 1 . 1 89 89 LYS C C 13 176.841 0.000 . 1 . . . . . 207 LYS C . 51513 1 685 . 1 . 1 89 89 LYS CA C 13 56.953 0.000 . 1 . . . . . 207 LYS CA . 51513 1 686 . 1 . 1 89 89 LYS CB C 13 32.834 0.000 . 1 . . . . . 207 LYS CB . 51513 1 687 . 1 . 1 89 89 LYS CG C 13 24.309 0.000 . 1 . . . . . 207 LYS CG . 51513 1 688 . 1 . 1 89 89 LYS CD C 13 28.770 0.000 . 1 . . . . . 207 LYS CD . 51513 1 689 . 1 . 1 89 89 LYS N N 15 124.593 0.000 . 1 . . . . . 207 LYS N . 51513 1 690 . 1 . 1 90 90 GLU H H 1 8.620 0.000 . 1 . . . . . 208 GLU H . 51513 1 691 . 1 . 1 90 90 GLU HA H 1 4.076 0.000 . 1 . . . . . 208 GLU HA . 51513 1 692 . 1 . 1 90 90 GLU C C 13 176.651 0.000 . 1 . . . . . 208 GLU C . 51513 1 693 . 1 . 1 90 90 GLU CA C 13 57.214 0.000 . 1 . . . . . 208 GLU CA . 51513 1 694 . 1 . 1 90 90 GLU CB C 13 29.571 0.000 . 1 . . . . . 208 GLU CB . 51513 1 695 . 1 . 1 90 90 GLU CG C 13 35.980 0.000 . 1 . . . . . 208 GLU CG . 51513 1 696 . 1 . 1 90 90 GLU N N 15 122.274 0.000 . 1 . . . . . 208 GLU N . 51513 1 697 . 1 . 1 91 91 GLU H H 1 8.166 0.000 . 1 . . . . . 209 GLU H . 51513 1 698 . 1 . 1 91 91 GLU HA H 1 4.122 0.000 . 1 . . . . . 209 GLU HA . 51513 1 699 . 1 . 1 91 91 GLU C C 13 176.408 0.000 . 1 . . . . . 209 GLU C . 51513 1 700 . 1 . 1 91 91 GLU CA C 13 56.514 0.000 . 1 . . . . . 209 GLU CA . 51513 1 701 . 1 . 1 91 91 GLU CB C 13 29.863 0.000 . 1 . . . . . 209 GLU CB . 51513 1 702 . 1 . 1 91 91 GLU CG C 13 36.059 0.000 . 1 . . . . . 209 GLU CG . 51513 1 703 . 1 . 1 91 91 GLU N N 15 120.658 0.000 . 1 . . . . . 209 GLU N . 51513 1 704 . 1 . 1 92 92 GLU H H 1 8.119 0.000 . 1 . . . . . 210 GLU H . 51513 1 705 . 1 . 1 92 92 GLU HA H 1 4.096 0.000 . 1 . . . . . 210 GLU HA . 51513 1 706 . 1 . 1 92 92 GLU C C 13 176.149 0.000 . 1 . . . . . 210 GLU C . 51513 1 707 . 1 . 1 92 92 GLU CA C 13 56.508 0.000 . 1 . . . . . 210 GLU CA . 51513 1 708 . 1 . 1 92 92 GLU CB C 13 30.249 0.000 . 1 . . . . . 210 GLU CB . 51513 1 709 . 1 . 1 92 92 GLU CG C 13 35.980 0.000 . 1 . . . . . 210 GLU CG . 51513 1 710 . 1 . 1 92 92 GLU N N 15 121.564 0.000 . 1 . . . . . 210 GLU N . 51513 1 711 . 1 . 1 93 93 ASP H H 1 8.186 0.000 . 1 . . . . . 211 ASP H . 51513 1 712 . 1 . 1 93 93 ASP HA H 1 4.096 0.000 . 1 . . . . . 211 ASP HA . 51513 1 713 . 1 . 1 93 93 ASP HB2 H 1 2.445 0.000 . 1 . . . . . 211 ASP HB2 . 51513 1 714 . 1 . 1 93 93 ASP HB3 H 1 2.544 0.000 . 1 . . . . . 211 ASP HB3 . 51513 1 715 . 1 . 1 93 93 ASP C C 13 176.149 0.000 . 1 . . . . . 211 ASP C . 51513 1 716 . 1 . 1 93 93 ASP CA C 13 54.403 0.000 . 1 . . . . . 211 ASP CA . 51513 1 717 . 1 . 1 93 93 ASP CB C 13 41.060 0.000 . 1 . . . . . 211 ASP CB . 51513 1 718 . 1 . 1 93 93 ASP N N 15 122.004 0.000 . 1 . . . . . 211 ASP N . 51513 1 719 . 1 . 1 94 94 ASP H H 1 8.179 0.000 . 1 . . . . . 212 ASP H . 51513 1 720 . 1 . 1 94 94 ASP HA H 1 4.103 0.000 . 1 . . . . . 212 ASP HA . 51513 1 721 . 1 . 1 94 94 ASP HB2 H 1 2.465 0.000 . 1 . . . . . 212 ASP HB2 . 51513 1 722 . 1 . 1 94 94 ASP HB3 H 1 2.511 0.000 . 1 . . . . . 212 ASP HB3 . 51513 1 723 . 1 . 1 94 94 ASP C C 13 176.309 0.000 . 1 . . . . . 212 ASP C . 51513 1 724 . 1 . 1 94 94 ASP CA C 13 54.603 0.000 . 1 . . . . . 212 ASP CA . 51513 1 725 . 1 . 1 94 94 ASP CB C 13 41.025 0.000 . 1 . . . . . 212 ASP CB . 51513 1 726 . 1 . 1 94 94 ASP N N 15 121.914 0.000 . 1 . . . . . 212 ASP N . 51513 1 727 . 1 . 1 95 95 ASP H H 1 8.219 0.000 . 1 . . . . . 213 ASP H . 51513 1 728 . 1 . 1 95 95 ASP HA H 1 4.362 0.000 . 1 . . . . . 213 ASP HA . 51513 1 729 . 1 . 1 95 95 ASP HB2 H 1 2.511 0.000 . 1 . . . . . 213 ASP HB2 . 51513 1 730 . 1 . 1 95 95 ASP HB3 H 1 2.511 0.000 . 1 . . . . . 213 ASP HB3 . 51513 1 731 . 1 . 1 95 95 ASP C C 13 176.681 0.000 . 1 . . . . . 213 ASP C . 51513 1 732 . 1 . 1 95 95 ASP CA C 13 54.818 0.000 . 1 . . . . . 213 ASP CA . 51513 1 733 . 1 . 1 95 95 ASP CB C 13 40.708 0.000 . 1 . . . . . 213 ASP CB . 51513 1 734 . 1 . 1 95 95 ASP N N 15 121.338 0.000 . 1 . . . . . 213 ASP N . 51513 1 735 . 1 . 1 96 96 MET H H 1 8.095 0.000 . 1 . . . . . 214 MET H . 51513 1 736 . 1 . 1 96 96 MET HA H 1 4.103 0.000 . 1 . . . . . 214 MET HA . 51513 1 737 . 1 . 1 96 96 MET C C 13 176.628 0.000 . 1 . . . . . 214 MET C . 51513 1 738 . 1 . 1 96 96 MET CA C 13 55.770 0.000 . 1 . . . . . 214 MET CA . 51513 1 739 . 1 . 1 96 96 MET CB C 13 32.032 0.000 . 1 . . . . . 214 MET CB . 51513 1 740 . 1 . 1 96 96 MET N N 15 120.757 0.000 . 1 . . . . . 214 MET N . 51513 1 741 . 1 . 1 98 98 GLU HA H 1 4.069 0.000 . 1 . . . . . 216 GLU HA . 51513 1 742 . 1 . 1 98 98 GLU C C 13 176.638 0.000 . 1 . . . . . 216 GLU C . 51513 1 743 . 1 . 1 98 98 GLU CA C 13 56.712 0.000 . 1 . . . . . 216 GLU CA . 51513 1 744 . 1 . 1 98 98 GLU CB C 13 29.702 0.000 . 1 . . . . . 216 GLU CB . 51513 1 745 . 1 . 1 98 98 GLU CG C 13 35.902 0.000 . 1 . . . . . 216 GLU CG . 51513 1 746 . 1 . 1 99 99 LEU H H 1 7.960 0.000 . 1 . . . . . 217 LEU H . 51513 1 747 . 1 . 1 99 99 LEU HA H 1 4.269 0.000 . 1 . . . . . 217 LEU HA . 51513 1 748 . 1 . 1 99 99 LEU C C 13 177.613 0.000 . 1 . . . . . 217 LEU C . 51513 1 749 . 1 . 1 99 99 LEU CA C 13 55.338 0.000 . 1 . . . . . 217 LEU CA . 51513 1 750 . 1 . 1 99 99 LEU CB C 13 42.213 0.000 . 1 . . . . . 217 LEU CB . 51513 1 751 . 1 . 1 99 99 LEU CD1 C 13 23.156 0.000 . 1 . . . . . 217 LEU CD1 . 51513 1 752 . 1 . 1 99 99 LEU CD2 C 13 24.720 0.000 . 1 . . . . . 217 LEU CD2 . 51513 1 753 . 1 . 1 99 99 LEU N N 15 123.077 0.000 . 1 . . . . . 217 LEU N . 51513 1 754 . 1 . 1 100 100 GLU H H 1 8.153 0.000 . 1 . . . . . 218 GLU H . 51513 1 755 . 1 . 1 100 100 GLU HA H 1 3.996 0.000 . 1 . . . . . 218 GLU HA . 51513 1 756 . 1 . 1 100 100 GLU C C 13 176.269 0.000 . 1 . . . . . 218 GLU C . 51513 1 757 . 1 . 1 100 100 GLU CA C 13 56.739 0.000 . 1 . . . . . 218 GLU CA . 51513 1 758 . 1 . 1 100 100 GLU CB C 13 29.775 0.000 . 1 . . . . . 218 GLU CB . 51513 1 759 . 1 . 1 100 100 GLU CG C 13 35.824 0.000 . 1 . . . . . 218 GLU CG . 51513 1 760 . 1 . 1 100 100 GLU N N 15 121.586 0.000 . 1 . . . . . 218 GLU N . 51513 1 761 . 1 . 1 101 101 ASN H H 1 8.180 0.000 . 1 . . . . . 219 ASN H . 51513 1 762 . 1 . 1 101 101 ASN HA H 1 4.475 0.000 . 1 . . . . . 219 ASN HA . 51513 1 763 . 1 . 1 101 101 ASN C C 13 174.990 0.000 . 1 . . . . . 219 ASN C . 51513 1 764 . 1 . 1 101 101 ASN CA C 13 53.205 0.000 . 1 . . . . . 219 ASN CA . 51513 1 765 . 1 . 1 101 101 ASN CB C 13 38.533 0.000 . 1 . . . . . 219 ASN CB . 51513 1 766 . 1 . 1 101 101 ASN N N 15 119.745 0.000 . 1 . . . . . 219 ASN N . 51513 1 767 . 1 . 1 102 102 TRP H H 1 7.930 0.000 . 1 . . . . . 220 TRP H . 51513 1 768 . 1 . 1 102 102 TRP HB2 H 1 3.117 0.000 . 1 . . . . . 220 TRP HB2 . 51513 1 769 . 1 . 1 102 102 TRP HB3 H 1 3.117 0.000 . 1 . . . . . 220 TRP HB3 . 51513 1 770 . 1 . 1 102 102 TRP C C 13 176.229 0.000 . 1 . . . . . 220 TRP C . 51513 1 771 . 1 . 1 102 102 TRP CA C 13 57.449 0.000 . 1 . . . . . 220 TRP CA . 51513 1 772 . 1 . 1 102 102 TRP CB C 13 29.212 0.000 . 1 . . . . . 220 TRP CB . 51513 1 773 . 1 . 1 102 102 TRP N N 15 122.537 0.000 . 1 . . . . . 220 TRP N . 51513 1 774 . 1 . 1 103 103 ALA H H 1 7.965 0.000 . 1 . . . . . 221 ALA H . 51513 1 775 . 1 . 1 103 103 ALA HA H 1 4.029 0.000 . 1 . . . . . 221 ALA HA . 51513 1 776 . 1 . 1 103 103 ALA HB1 H 1 1.060 0.000 . 1 . . . . . 221 ALA HB1 . 51513 1 777 . 1 . 1 103 103 ALA HB2 H 1 1.060 0.000 . 1 . . . . . 221 ALA HB2 . 51513 1 778 . 1 . 1 103 103 ALA HB3 H 1 1.060 0.000 . 1 . . . . . 221 ALA HB3 . 51513 1 779 . 1 . 1 103 103 ALA C C 13 177.786 0.000 . 1 . . . . . 221 ALA C . 51513 1 780 . 1 . 1 103 103 ALA CA C 13 52.624 0.000 . 1 . . . . . 221 ALA CA . 51513 1 781 . 1 . 1 103 103 ALA CB C 13 18.718 0.000 . 1 . . . . . 221 ALA CB . 51513 1 782 . 1 . 1 103 103 ALA N N 15 126.749 0.000 . 1 . . . . . 221 ALA N . 51513 1 783 . 1 . 1 104 104 GLY H H 1 7.316 0.000 . 1 . . . . . 222 GLY H . 51513 1 784 . 1 . 1 104 104 GLY HA2 H 1 3.596 0.000 . 1 . . . . . 222 GLY HA2 . 51513 1 785 . 1 . 1 104 104 GLY HA3 H 1 3.596 0.000 . 1 . . . . . 222 GLY HA3 . 51513 1 786 . 1 . 1 104 104 GLY C C 13 173.805 0.000 . 1 . . . . . 222 GLY C . 51513 1 787 . 1 . 1 104 104 GLY CA C 13 45.009 0.000 . 1 . . . . . 222 GLY CA . 51513 1 788 . 1 . 1 104 104 GLY N N 15 107.4528 0.000 . 1 . . . . . 222 GLY N . 51513 1 789 . 1 . 1 105 105 SER H H 1 7.895 0.000 . 1 . . . . . 223 SER H . 51513 1 790 . 1 . 1 105 105 SER HA H 1 4.282 0.000 . 1 . . . . . 223 SER HA . 51513 1 791 . 1 . 1 105 105 SER HB2 H 1 3.690 0.000 . 1 . . . . . 223 SER HB2 . 51513 1 792 . 1 . 1 105 105 SER HB3 H 1 3.690 0.000 . 1 . . . . . 223 SER HB3 . 51513 1 793 . 1 . 1 105 105 SER C C 13 173.566 0.000 . 1 . . . . . 223 SER C . 51513 1 794 . 1 . 1 105 105 SER CA C 13 58.141 0.000 . 1 . . . . . 223 SER CA . 51513 1 795 . 1 . 1 105 105 SER CB C 13 64.003 0.000 . 1 . . . . . 223 SER CB . 51513 1 796 . 1 . 1 105 105 SER N N 15 116.119 0.000 . 1 . . . . . 223 SER N . 51513 1 797 . 1 . 1 106 106 MET H H 1 7.866 0.000 . 1 . . . . . 224 MET H . 51513 1 798 . 1 . 1 106 106 MET C C 13 180.729 0.000 . 1 . . . . . 224 MET C . 51513 1 799 . 1 . 1 106 106 MET CA C 13 57.161 0.000 . 1 . . . . . 224 MET CA . 51513 1 800 . 1 . 1 106 106 MET CB C 13 33.642 0.000 . 1 . . . . . 224 MET CB . 51513 1 801 . 1 . 1 106 106 MET N N 15 127.937 0.000 . 1 . . . . . 224 MET N . 51513 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 51513 _Coupling_constant_list.ID 1 _Coupling_constant_list.Name . _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 '2D 1H-15N HSQC' . . . 51513 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_asym_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_asym_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 ASP H H 1 1 . 1 1 3 3 ASP HA H 1 1 6.778 . . . . . . . 121 ASP H . . 121 ASP HA . 51513 1 2 3JHNHA . 1 1 4 4 ASN H H 1 1 . 1 1 4 4 ASN HA H 1 1 7.306 . . . . . . . 122 ASN H . . 122 ASN HA . 51513 1 3 3JHNHA . 1 1 5 5 MET H H 1 1 . 1 1 5 5 MET HA H 1 1 7.394 . . . . . . . 123 MET H . . 123 MET HA . 51513 1 4 3JHNHA . 1 1 6 6 ASP H H 1 1 . 1 1 6 6 ASP HA H 1 1 7.394 . . . . . . . 124 ASP H . . 124 ASP HA . 51513 1 5 3JHNHA . 1 1 7 7 ILE H H 1 1 . 1 1 7 7 ILE HA H 1 1 7.482 . . . . . . . 125 ILE H . . 125 ILE HA . 51513 1 6 3JHNHA . 1 1 8 8 ASP H H 1 1 . 1 1 8 8 ASP HA H 1 1 7.218 . . . . . . . 126 ASP H . . 126 ASP HA . 51513 1 7 3JHNHA . 1 1 9 9 LYS H H 1 1 . 1 1 9 9 LYS HA H 1 1 7.570 . . . . . . . 127 LYS H . . 127 LYS HA . 51513 1 8 3JHNHA . 1 1 10 10 VAL H H 1 1 . 1 1 10 10 VAL HA H 1 1 7.570 . . . . . . . 128 VAL H . . 128 VAL HA . 51513 1 9 3JHNHA . 1 1 11 11 ASP H H 1 1 . 1 1 11 11 ASP HA H 1 1 6.954 . . . . . . . 129 ASP H . . 129 ASP HA . 51513 1 10 3JHNHA . 1 1 12 12 GLU H H 1 1 . 1 1 12 12 GLU HA H 1 1 6.690 . . . . . . . 130 GLU H . . 130 GLU HA . 51513 1 11 3JHNHA . 1 1 13 13 LEU H H 1 1 . 1 1 13 13 LEU HA H 1 1 7.218 . . . . . . . 131 LEU H . . 131 LEU HA . 51513 1 12 3JHNHA . 1 1 14 14 MET H H 1 1 . 1 1 14 14 MET HA H 1 1 7.570 . . . . . . . 132 MET H . . 132 MET HA . 51513 1 13 3JHNHA . 1 1 15 15 GLN H H 1 1 . 1 1 15 15 GLN HA H 1 1 7.218 . . . . . . . 133 GLN H . . 133 GLN HA . 51513 1 14 3JHNHA . 1 1 16 16 ASP H H 1 1 . 1 1 16 16 ASP HA H 1 1 7.130 . . . . . . . 134 ASP H . . 134 ASP HA . 51513 1 15 3JHNHA . 1 1 17 17 ILE H H 1 1 . 1 1 17 17 ILE HA H 1 1 7.570 . . . . . . . 135 ILE H . . 135 ILE HA . 51513 1 16 3JHNHA . 1 1 18 18 ALA H H 1 1 . 1 1 18 18 ALA HA H 1 1 6.154 . . . . . . . 136 ALA H . . 136 ALA HA . 51513 1 17 3JHNHA . 1 1 19 19 ASP H H 1 1 . 1 1 19 19 ASP HA H 1 1 6.954 . . . . . . . 137 ASP H . . 137 ASP HA . 51513 1 18 3JHNHA . 1 1 20 20 GLN H H 1 1 . 1 1 20 20 GLN HA H 1 1 7.306 . . . . . . . 138 GLN H . . 138 GLN HA . 51513 1 19 3JHNHA . 1 1 21 21 GLN H H 1 1 . 1 1 21 21 GLN HA H 1 1 7.042 . . . . . . . 139 GLN H . . 139 GLN HA . 51513 1 20 3JHNHA . 1 1 22 22 GLU H H 1 1 . 1 1 22 22 GLU HA H 1 1 6.690 . . . . . . . 140 GLU H . . 140 GLU HA . 51513 1 21 3JHNHA . 1 1 23 23 LEU H H 1 1 . 1 1 23 23 LEU HA H 1 1 6.866 . . . . . . . 141 LEU H . . 141 LEU HA . 51513 1 22 3JHNHA . 1 1 24 24 ALA H H 1 1 . 1 1 24 24 ALA HA H 1 1 6.154 . . . . . . . 142 ALA H . . 142 ALA HA . 51513 1 23 3JHNHA . 1 1 25 25 GLU H H 1 1 . 1 1 25 25 GLU HA H 1 1 6.690 . . . . . . . 143 GLU H . . 143 GLU HA . 51513 1 24 3JHNHA . 1 1 26 26 GLU H H 1 1 . 1 1 26 26 GLU HA H 1 1 6.690 . . . . . . . 144 GLU H . . 144 GLU HA . 51513 1 25 3JHNHA . 1 1 27 27 ILE H H 1 1 . 1 1 27 27 ILE HA H 1 1 7.570 . . . . . . . 145 ILE H . . 145 ILE HA . 51513 1 26 3JHNHA . 1 1 28 28 SER H H 1 1 . 1 1 28 28 SER HA H 1 1 6.690 . . . . . . . 146 SER H . . 146 SER HA . 51513 1 27 3JHNHA . 1 1 29 29 THR H H 1 1 . 1 1 29 29 THR HA H 1 1 7.746 . . . . . . . 147 THR H . . 147 THR HA . 51513 1 28 3JHNHA . 1 1 30 30 ALA H H 1 1 . 1 1 30 30 ALA HA H 1 1 5.978 . . . . . . . 148 ALA H . . 148 ALA HA . 51513 1 29 3JHNHA . 1 1 31 31 ILE H H 1 1 . 1 1 31 31 ILE HA H 1 1 7.746 . . . . . . . 149 ILE H . . 149 ILE HA . 51513 1 30 3JHNHA . 1 1 32 32 SER H H 1 1 . 1 1 32 32 SER HA H 1 1 6.954 . . . . . . . 150 SER H . . 150 SER HA . 51513 1 31 3JHNHA . 1 1 33 33 LYS H H 1 1 . 1 1 33 33 LYS HA H 1 1 7.218 . . . . . . . 151 LYS H . . 151 LYS HA . 51513 1 32 3JHNHA . 1 1 35 35 VAL H H 1 1 . 1 1 35 35 VAL HA H 1 1 7.218 . . . . . . . 153 VAL H . . 153 VAL HA . 51513 1 33 3JHNHA . 1 1 37 37 PHE H H 1 1 . 1 1 37 37 PHE HA H 1 1 7.130 . . . . . . . 155 PHE H . . 155 PHE HA . 51513 1 34 3JHNHA . 1 1 39 39 GLU H H 1 1 . 1 1 39 39 GLU HA H 1 1 7.218 . . . . . . . 157 GLU H . . 157 GLU HA . 51513 1 35 3JHNHA . 1 1 40 40 GLU H H 1 1 . 1 1 40 40 GLU HA H 1 1 7.042 . . . . . . . 158 GLU H . . 158 GLU HA . 51513 1 36 3JHNHA . 1 1 41 41 PHE H H 1 1 . 1 1 41 41 PHE HA H 1 1 7.746 . . . . . . . 159 PHE H . . 159 PHE HA . 51513 1 37 3JHNHA . 1 1 42 42 ASP H H 1 1 . 1 1 42 42 ASP HA H 1 1 7.394 . . . . . . . 160 ASP H . . 160 ASP HA . 51513 1 38 3JHNHA . 1 1 43 43 GLU H H 1 1 . 1 1 43 43 GLU HA H 1 1 6.514 . . . . . . . 161 GLU H . . 161 GLU HA . 51513 1 39 3JHNHA . 1 1 44 44 ASP H H 1 1 . 1 1 44 44 ASP HA H 1 1 6.866 . . . . . . . 162 ASP H . . 162 ASP HA . 51513 1 40 3JHNHA . 1 1 45 45 GLU H H 1 1 . 1 1 45 45 GLU HA H 1 1 6.690 . . . . . . . 163 GLU H . . 163 GLU HA . 51513 1 41 3JHNHA . 1 1 46 46 LEU H H 1 1 . 1 1 46 46 LEU HA H 1 1 6.602 . . . . . . . 164 LEU H . . 164 LEU HA . 51513 1 42 3JHNHA . 1 1 47 47 MET H H 1 1 . 1 1 47 47 MET HA H 1 1 7.394 . . . . . . . 165 MET H . . 165 MET HA . 51513 1 43 3JHNHA . 1 1 48 48 ALA H H 1 1 . 1 1 48 48 ALA HA H 1 1 5.626 . . . . . . . 166 ALA H . . 166 ALA HA . 51513 1 44 3JHNHA . 1 1 49 49 GLU H H 1 1 . 1 1 49 49 GLU HA H 1 1 6.602 . . . . . . . 167 GLU H . . 167 GLU HA . 51513 1 45 3JHNHA . 1 1 50 50 LEU H H 1 1 . 1 1 50 50 LEU HA H 1 1 6.954 . . . . . . . 168 LEU H . . 168 LEU HA . 51513 1 46 3JHNHA . 1 1 51 51 GLU H H 1 1 . 1 1 51 51 GLU HA H 1 1 6.602 . . . . . . . 169 GLU H . . 169 GLU HA . 51513 1 47 3JHNHA . 1 1 52 52 GLU H H 1 1 . 1 1 52 52 GLU HA H 1 1 6.778 . . . . . . . 170 GLU H . . 170 GLU HA . 51513 1 48 3JHNHA . 1 1 53 53 LEU H H 1 1 . 1 1 53 53 LEU HA H 1 1 6.602 . . . . . . . 171 LEU H . . 171 LEU HA . 51513 1 49 3JHNHA . 1 1 54 54 GLU H H 1 1 . 1 1 54 54 GLU HA H 1 1 6.778 . . . . . . . 172 GLU H . . 172 GLU HA . 51513 1 50 3JHNHA . 1 1 55 55 GLN H H 1 1 . 1 1 55 55 GLN HA H 1 1 6.602 . . . . . . . 173 GLN H . . 173 GLN HA . 51513 1 51 3JHNHA . 1 1 56 56 GLU H H 1 1 . 1 1 56 56 GLU HA H 1 1 6.690 . . . . . . . 174 GLU H . . 174 GLU HA . 51513 1 52 3JHNHA . 1 1 57 57 GLU H H 1 1 . 1 1 57 57 GLU HA H 1 1 7.042 . . . . . . . 175 GLU H . . 175 GLU HA . 51513 1 53 3JHNHA . 1 1 58 58 LEU H H 1 1 . 1 1 58 58 LEU HA H 1 1 6.242 . . . . . . . 176 LEU H . . 176 LEU HA . 51513 1 54 3JHNHA . 1 1 60 60 LYS H H 1 1 . 1 1 60 60 LYS HA H 1 1 6.154 . . . . . . . 178 LYS H . . 178 LYS HA . 51513 1 55 3JHNHA . 1 1 61 61 ASN H H 1 1 . 1 1 61 61 ASN HA H 1 1 6.866 . . . . . . . 179 ASN H . . 179 ASN HA . 51513 1 56 3JHNHA . 1 1 62 62 LEU H H 1 1 . 1 1 62 62 LEU HA H 1 1 8.282 . . . . . . . 180 LEU H . . 180 LEU HA . 51513 1 57 3JHNHA . 1 1 63 63 LEU H H 1 1 . 1 1 63 63 LEU HA H 1 1 7.130 . . . . . . . 181 LEU H . . 181 LEU HA . 51513 1 58 3JHNHA . 1 1 64 64 GLU H H 1 1 . 1 1 64 64 GLU HA H 1 1 6.954 . . . . . . . 182 GLU H . . 182 GLU HA . 51513 1 59 3JHNHA . 1 1 65 65 ILE H H 1 1 . 1 1 65 65 ILE HA H 1 1 7.842 . . . . . . . 183 ILE H . . 183 ILE HA . 51513 1 60 3JHNHA . 1 1 66 66 CYS H H 1 1 . 1 1 66 66 CYS HA H 1 1 7.658 . . . . . . . 184 CYS H . . 184 CYS HA . 51513 1 61 3JHNHA . 1 1 69 69 GLU H H 1 1 . 1 1 69 69 GLU HA H 1 1 6.690 . . . . . . . 187 GLU H . . 187 GLU HA . 51513 1 62 3JHNHA . 1 1 70 70 THR H H 1 1 . 1 1 70 70 THR HA H 1 1 7.746 . . . . . . . 188 THR H . . 188 THR HA . 51513 1 63 3JHNHA . 1 1 71 71 VAL H H 1 1 . 1 1 71 71 VAL HA H 1 1 7.746 . . . . . . . 189 VAL H . . 189 VAL HA . 51513 1 64 3JHNHA . 1 1 73 73 LEU H H 1 1 . 1 1 73 73 LEU HA H 1 1 6.954 . . . . . . . 191 LEU H . . 191 LEU HA . 51513 1 65 3JHNHA . 1 1 75 75 ASN H H 1 1 . 1 1 75 75 ASN HA H 1 1 7.394 . . . . . . . 193 ASN H . . 193 ASN HA . 51513 1 66 3JHNHA . 1 1 76 76 VAL H H 1 1 . 1 1 76 76 VAL HA H 1 1 7.218 . . . . . . . 194 VAL H . . 194 VAL HA . 51513 1 67 3JHNHA . 1 1 78 78 SER H H 1 1 . 1 1 78 78 SER HA H 1 1 6.514 . . . . . . . 196 SER H . . 196 SER HA . 51513 1 68 3JHNHA . 1 1 79 79 ILE H H 1 1 . 1 1 79 79 ILE HA H 1 1 7.658 . . . . . . . 197 ILE H . . 197 ILE HA . 51513 1 69 3JHNHA . 1 1 80 80 ALA H H 1 1 . 1 1 80 80 ALA HA H 1 1 6.514 . . . . . . . 198 ALA H . . 198 ALA HA . 51513 1 70 3JHNHA . 1 1 81 81 LEU H H 1 1 . 1 1 81 81 LEU HA H 1 1 7.218 . . . . . . . 199 LEU H . . 199 LEU HA . 51513 1 71 3JHNHA . 1 1 83 83 SER H H 1 1 . 1 1 83 83 SER HA H 1 1 6.602 . . . . . . . 201 SER H . . 201 SER HA . 51513 1 72 3JHNHA . 1 1 84 84 LYS H H 1 1 . 1 1 84 84 LYS HA H 1 1 6.866 . . . . . . . 202 LYS H . . 202 LYS HA . 51513 1 73 3JHNHA . 1 1 86 86 ALA H H 1 1 . 1 1 86 86 ALA HA H 1 1 5.626 . . . . . . . 204 ALA H . . 204 ALA HA . 51513 1 74 3JHNHA . 1 1 87 87 LYS H H 1 1 . 1 1 87 87 LYS HA H 1 1 6.690 . . . . . . . 205 LYS H . . 205 LYS HA . 51513 1 75 3JHNHA . 1 1 88 88 LYS H H 1 1 . 1 1 88 88 LYS HA H 1 1 6.242 . . . . . . . 206 LYS H . . 206 LYS HA . 51513 1 76 3JHNHA . 1 1 89 89 LYS H H 1 1 . 1 1 89 89 LYS HA H 1 1 5.274 . . . . . . . 207 LYS H . . 207 LYS HA . 51513 1 77 3JHNHA . 1 1 90 90 GLU H H 1 1 . 1 1 90 90 GLU HA H 1 1 5.626 . . . . . . . 208 GLU H . . 208 GLU HA . 51513 1 78 3JHNHA . 1 1 91 91 GLU H H 1 1 . 1 1 91 91 GLU HA H 1 1 7.042 . . . . . . . 209 GLU H . . 209 GLU HA . 51513 1 79 3JHNHA . 1 1 92 92 GLU H H 1 1 . 1 1 92 92 GLU HA H 1 1 6.514 . . . . . . . 210 GLU H . . 210 GLU HA . 51513 1 80 3JHNHA . 1 1 93 93 ASP H H 1 1 . 1 1 93 93 ASP HA H 1 1 7.042 . . . . . . . 211 ASP H . . 211 ASP HA . 51513 1 81 3JHNHA . 1 1 94 94 ASP H H 1 1 . 1 1 94 94 ASP HA H 1 1 6.514 . . . . . . . 212 ASP H . . 212 ASP HA . 51513 1 82 3JHNHA . 1 1 96 96 MET H H 1 1 . 1 1 96 96 MET HA H 1 1 7.130 . . . . . . . 214 MET H . . 214 MET HA . 51513 1 83 3JHNHA . 1 1 99 99 LEU H H 1 1 . 1 1 99 99 LEU HA H 1 1 6.954 . . . . . . . 217 LEU H . . 217 LEU HA . 51513 1 84 3JHNHA . 1 1 100 100 GLU H H 1 1 . 1 1 100 100 GLU HA H 1 1 6.602 . . . . . . . 218 GLU H . . 218 GLU HA . 51513 1 85 3JHNHA . 1 1 101 101 ASN H H 1 1 . 1 1 101 101 ASN HA H 1 1 7.482 . . . . . . . 219 ASN H . . 219 ASN HA . 51513 1 86 3JHNHA . 1 1 102 102 TRP H H 1 1 . 1 1 102 102 TRP HA H 1 1 6.514 . . . . . . . 220 TRP H . . 220 TRP HA . 51513 1 87 3JHNHA . 1 1 103 103 ALA H H 1 1 . 1 1 103 103 ALA HA H 1 1 6.514 . . . . . . . 221 ALA H . . 221 ALA HA . 51513 1 88 3JHNHA . 1 1 105 105 SER H H 1 1 . 1 1 105 105 SER HA H 1 1 7.546 . . . . . . . 223 SER H . . 223 SER HA . 51513 1 89 3JHNHA . 1 1 106 106 MET H H 1 1 . 1 1 106 106 MET HA H 1 1 7.762 . . . . . . . 224 MET H . . 224 MET HA . 51513 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51513 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name . _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 51513 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ASP N N 15 1.213293 0.039069 . . 121 ASP N 51513 1 2 . 1 1 4 4 ASN N N 15 1.025113 0.02355 . . 122 ASN N 51513 1 3 . 1 1 5 5 MET N N 15 0.937507 0.017471 . . 123 MET N 51513 1 4 . 1 1 6 6 ASP N N 15 0.834374 0.011626 . . 124 ASP N 51513 1 5 . 1 1 7 7 ILE N N 15 0.82199 0.001418 . . 125 ILE N 51513 1 6 . 1 1 8 8 ASP N N 15 0.736175 0.003078 . . 126 ASP N 51513 1 7 . 1 1 9 9 LYS N N 15 0.774429 0.001121 . . 127 LYS N 51513 1 8 . 1 1 10 10 VAL N N 15 0.758694 0.002551 . . 128 VAL N 51513 1 9 . 1 1 11 11 ASP N N 15 0.732205 0.00274 . . 129 ASP N 51513 1 10 . 1 1 12 12 GLU N N 15 0.730157 0.001373 . . 130 GLU N 51513 1 11 . 1 1 13 13 LEU N N 15 0.728866 0.002699 . . 131 LEU N 51513 1 12 . 1 1 14 14 MET N N 15 0.76024 0.002825 . . 132 MET N 51513 1 13 . 1 1 15 15 GLN N N 15 0.781262 0.005223 . . 133 GLN N 51513 1 14 . 1 1 16 16 ASP N N 15 0.766521 0.006138 . . 134 ASP N 51513 1 15 . 1 1 17 17 ILE N N 15 0.802135 0.000705 . . 135 ILE N 51513 1 16 . 1 1 18 18 ALA N N 15 0.759655 0.003701 . . 136 ALA N 51513 1 17 . 1 1 19 19 ASP N N 15 0.79181 0.004291 . . 137 ASP N 51513 1 18 . 1 1 20 20 GLN N N 15 0.804488 0.004634 . . 138 GLN N 51513 1 19 . 1 1 21 21 GLN N N 15 0.790432 0.005966 . . 139 GLN N 51513 1 20 . 1 1 22 22 GLU N N 15 0.780464 0.004224 . . 140 GLU N 51513 1 21 . 1 1 23 23 LEU N N 15 0.800564 0.00193 . . 141 LEU N 51513 1 22 . 1 1 24 24 ALA N N 15 0.842482 0.001448 . . 142 ALA N 51513 1 23 . 1 1 25 25 GLU N N 15 0.830855 0.004344 . . 143 GLU N 51513 1 24 . 1 1 26 26 GLU N N 15 0.775444 0.002529 . . 144 GLU N 51513 1 25 . 1 1 27 27 ILE N N 15 0.798499 0.002152 . . 145 ILE N 51513 1 26 . 1 1 28 28 SER N N 15 0.797192 0.010655 . . 146 SER N 51513 1 27 . 1 1 29 29 THR N N 15 0.79586 0.017418 . . 147 THR N 51513 1 28 . 1 1 30 30 ALA N N 15 0.775702 0.011063 . . 148 ALA N 51513 1 29 . 1 1 31 31 ILE N N 15 0.873175 0.005525 . . 149 ILE N 51513 1 30 . 1 1 32 32 SER N N 15 0.843195 0.003644 . . 150 SER N 51513 1 31 . 1 1 33 33 LYS N N 15 0.816178 0.00941 . . 151 LYS N 51513 1 32 . 1 1 35 35 VAL N N 15 0.775576 0.001659 . . 153 VAL N 51513 1 33 . 1 1 36 36 GLY N N 15 0.772412 0.008474 . . 154 GLY N 51513 1 34 . 1 1 37 37 PHE N N 15 0.770204 0.00719 . . 155 PHE N 51513 1 35 . 1 1 38 38 GLY N N 15 0.818881 0.010835 . . 156 GLY N 51513 1 36 . 1 1 39 39 GLU N N 15 0.755196 0.00454 . . 157 GLU N 51513 1 37 . 1 1 40 40 GLU N N 15 0.765447 0.003348 . . 158 GLU N 51513 1 38 . 1 1 41 41 PHE N N 15 0.769368 0.003398 . . 159 PHE N 51513 1 39 . 1 1 42 42 ASP N N 15 0.744042 0.004875 . . 160 ASP N 51513 1 40 . 1 1 43 43 GLU N N 15 0.741911 0.00259 . . 161 GLU N 51513 1 41 . 1 1 44 44 ASP N N 15 0.727194 0.001925 . . 162 ASP N 51513 1 42 . 1 1 45 45 GLU N N 15 0.738134 0.000905 . . 163 GLU N 51513 1 43 . 1 1 46 46 LEU N N 15 0.735102 0.000442 . . 164 LEU N 51513 1 44 . 1 1 47 47 MET N N 15 0.751829 0.003639 . . 165 MET N 51513 1 45 . 1 1 48 48 ALA N N 15 0.80947 0.001944 . . 166 ALA N 51513 1 46 . 1 1 49 49 GLU N N 15 0.823341 0.002027 . . 167 GLU N 51513 1 47 . 1 1 50 50 LEU N N 15 0.792778 0.001372 . . 168 LEU N 51513 1 48 . 1 1 51 51 GLU N N 15 0.774804 0.002406 . . 169 GLU N 51513 1 49 . 1 1 52 52 GLU N N 15 0.790783 0.003499 . . 170 GLU N 51513 1 50 . 1 1 53 53 LEU N N 15 0.786047 0.002006 . . 171 LEU N 51513 1 51 . 1 1 54 54 GLU N N 15 0.75146 0.001287 . . 172 GLU N 51513 1 52 . 1 1 55 55 GLN N N 15 0.793853 0.001445 . . 173 GLN N 51513 1 53 . 1 1 56 56 GLU N N 15 0.65611 0.002248 . . 174 GLU N 51513 1 54 . 1 1 57 57 GLU N N 15 0.738576 0.001626 . . 175 GLU N 51513 1 55 . 1 1 58 58 LEU N N 15 0.736773 0.001309 . . 176 LEU N 51513 1 56 . 1 1 59 59 ASP N N 15 0.682947 0.002 . . 177 ASP N 51513 1 57 . 1 1 60 60 LYS N N 15 0.706067 0.002771 . . 178 LYS N 51513 1 58 . 1 1 61 61 ASN N N 15 0.673475 0.00489 . . 179 ASN N 51513 1 59 . 1 1 62 62 LEU N N 15 0.734222 0.003378 . . 180 LEU N 51513 1 60 . 1 1 63 63 LEU N N 15 0.719674 0.001902 . . 181 LEU N 51513 1 61 . 1 1 64 64 GLU N N 15 0.735363 0.002997 . . 182 GLU N 51513 1 62 . 1 1 65 65 ILE N N 15 0.668907 0.002946 . . 183 ILE N 51513 1 63 . 1 1 66 66 CYS N N 15 0.786663 0.010541 . . 184 CYS N 51513 1 64 . 1 1 67 67 GLY N N 15 0.89554 0.012095 . . 185 GLY N 51513 1 65 . 1 1 69 69 GLU N N 15 0.788207 0.00743 . . 187 GLU N 51513 1 66 . 1 1 70 70 THR N N 15 0.766274 0.007961 . . 188 THR N 51513 1 67 . 1 1 71 71 VAL N N 15 0.815085 0.002174 . . 189 VAL N 51513 1 68 . 1 1 73 73 LEU N N 15 0.815028 0.000709 . . 191 LEU N 51513 1 69 . 1 1 75 75 ASN N N 15 0.798282 0.018837 . . 193 ASN N 51513 1 70 . 1 1 76 76 VAL N N 15 0.738089 0.00345 . . 194 VAL N 51513 1 71 . 1 1 78 78 SER N N 15 0.846608 0.018579 . . 196 SER N 51513 1 72 . 1 1 79 79 ILE N N 15 0.830828 0.009796 . . 197 ILE N 51513 1 73 . 1 1 80 80 ALA N N 15 0.821558 0.009013 . . 198 ALA N 51513 1 74 . 1 1 81 81 LEU N N 15 0.855862 0.004392 . . 199 LEU N 51513 1 75 . 1 1 83 83 SER N N 15 0.858855 0.021304 . . 201 SER N 51513 1 76 . 1 1 84 84 LYS N N 15 0.792 0.018142 . . 202 LYS N 51513 1 77 . 1 1 86 86 ALA N N 15 0.772686 0.012945 . . 204 ALA N 51513 1 78 . 1 1 87 87 LYS N N 15 0.766124 0.004612 . . 205 LYS N 51513 1 79 . 1 1 88 88 LYS N N 15 0.689371 0.010755 . . 206 LYS N 51513 1 80 . 1 1 89 89 LYS N N 15 0.656362 0.008442 . . 207 LYS N 51513 1 81 . 1 1 90 90 GLU N N 15 0.658628 0.00538 . . 208 GLU N 51513 1 82 . 1 1 91 91 GLU N N 15 0.644637 0.004021 . . 209 GLU N 51513 1 83 . 1 1 92 92 GLU N N 15 0.691652 0.002381 . . 210 GLU N 51513 1 84 . 1 1 93 93 ASP N N 15 0.688878 0.003493 . . 211 ASP N 51513 1 85 . 1 1 94 94 ASP N N 15 0.688553 0.004003 . . 212 ASP N 51513 1 86 . 1 1 95 95 ASP N N 15 0.682947 0.002 . . 213 ASP N 51513 1 87 . 1 1 96 96 MET N N 15 0.661356 0.002271 . . 214 MET N 51513 1 88 . 1 1 99 99 LEU N N 15 0.689796 0.001505 . . 217 LEU N 51513 1 89 . 1 1 100 100 GLU N N 15 0.703759 0.00363 . . 218 GLU N 51513 1 90 . 1 1 101 101 ASN N N 15 0.733682 0.011506 . . 219 ASN N 51513 1 91 . 1 1 102 102 TRP N N 15 0.784638 0.008975 . . 220 TRP N 51513 1 92 . 1 1 103 103 ALA N N 15 0.811563 0.011163 . . 221 ALA N 51513 1 93 . 1 1 104 104 GLY N N 15 0.985687 0.018622 . . 222 GLY N 51513 1 94 . 1 1 105 105 SER N N 15 1.119007 0.027352 . . 223 SER N 51513 1 95 . 1 1 106 106 MET N N 15 1.493195 0.004068 . . 224 MET N 51513 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51513 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name . _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 51513 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ASP N N 15 0.871607 0.028484 . . . . 121 ASP N 51513 1 2 . 1 1 4 4 ASN N N 15 0.776131 0.025028 . . . . 122 ASN N 51513 1 3 . 1 1 5 5 MET N N 15 0.64402 0.01539 . . . . 123 MET N 51513 1 4 . 1 1 6 6 ASP N N 15 0.586547 0.009931 . . . . 124 ASP N 51513 1 5 . 1 1 7 7 ILE N N 15 0.580019 0.006407 . . . . 125 ILE N 51513 1 6 . 1 1 8 8 ASP N N 15 0.530897 0.006212 . . . . 126 ASP N 51513 1 7 . 1 1 9 9 LYS N N 15 0.51914 0.005258 . . . . 127 LYS N 51513 1 8 . 1 1 10 10 VAL N N 15 0.524523 0.00462 . . . . 128 VAL N 51513 1 9 . 1 1 11 11 ASP N N 15 0.443925 0.004551 . . . . 129 ASP N 51513 1 10 . 1 1 12 12 GLU N N 15 0.473403 0.002772 . . . . 130 GLU N 51513 1 11 . 1 1 13 13 LEU N N 15 0.436705 0.004197 . . . . 131 LEU N 51513 1 12 . 1 1 14 14 MET N N 15 0.355727 0.002812 . . . . 132 MET N 51513 1 13 . 1 1 15 15 GLN N N 15 0.417168 0.003858 . . . . 133 GLN N 51513 1 14 . 1 1 16 16 ASP N N 15 0.450872 0.006432 . . . . 134 ASP N 51513 1 15 . 1 1 17 17 ILE N N 15 0.472743 0.00419 . . . . 135 ILE N 51513 1 16 . 1 1 18 18 ALA N N 15 0.395983 0.004024 . . . . 136 ALA N 51513 1 17 . 1 1 19 19 ASP N N 15 0.467292 0.007362 . . . . 137 ASP N 51513 1 18 . 1 1 20 20 GLN N N 15 0.477637 0.006239 . . . . 138 GLN N 51513 1 19 . 1 1 21 21 GLN N N 15 0.465232 0.006401 . . . . 139 GLN N 51513 1 20 . 1 1 22 22 GLU N N 15 0.422734 0.00454 . . . . 140 GLU N 51513 1 21 . 1 1 23 23 LEU N N 15 0.415774 0.003436 . . . . 141 LEU N 51513 1 22 . 1 1 24 24 ALA N N 15 0.432538 0.004186 . . . . 142 ALA N 51513 1 23 . 1 1 25 25 GLU N N 15 0.444938 0.005868 . . . . 143 GLU N 51513 1 24 . 1 1 26 26 GLU N N 15 0.262021 0.001161 . . . . 144 GLU N 51513 1 25 . 1 1 27 27 ILE N N 15 0.430487 0.004332 . . . . 145 ILE N 51513 1 26 . 1 1 28 28 SER N N 15 0.393761 0.006467 . . . . 146 SER N 51513 1 27 . 1 1 29 29 THR N N 15 0.429996 0.007881 . . . . 147 THR N 51513 1 28 . 1 1 30 30 ALA N N 15 0.408343 0.005438 . . . . 148 ALA N 51513 1 29 . 1 1 31 31 ILE N N 15 0.473092 0.006674 . . . . 149 ILE N 51513 1 30 . 1 1 32 32 SER N N 15 0.444878 0.005867 . . . . 150 SER N 51513 1 31 . 1 1 33 33 LYS N N 15 0.428805 0.006307 . . . . 151 LYS N 51513 1 32 . 1 1 35 35 VAL N N 15 0.459751 0.004524 . . . . 153 VAL N 51513 1 33 . 1 1 36 36 GLY N N 15 0.439256 0.005011 . . . . 154 GLY N 51513 1 34 . 1 1 37 37 PHE N N 15 0.471202 0.007878 . . . . 155 PHE N 51513 1 35 . 1 1 38 38 GLY N N 15 0.499498 0.009317 . . . . 156 GLY N 51513 1 36 . 1 1 39 39 GLU N N 15 0.467389 0.005333 . . . . 157 GLU N 51513 1 37 . 1 1 40 40 GLU N N 15 0.463829 0.004388 . . . . 158 GLU N 51513 1 38 . 1 1 41 41 PHE N N 15 0.417891 0.003412 . . . . 159 PHE N 51513 1 39 . 1 1 42 42 ASP N N 15 0.390413 0.004613 . . . . 160 ASP N 51513 1 40 . 1 1 43 43 GLU N N 15 0.355331 0.003555 . . . . 161 GLU N 51513 1 41 . 1 1 44 44 ASP N N 15 0.298585 0.001649 . . . . 162 ASP N 51513 1 42 . 1 1 45 45 GLU N N 15 0.313362 0.002118 . . . . 163 GLU N 51513 1 43 . 1 1 46 46 LEU N N 15 0.300242 0.002285 . . . . 164 LEU N 51513 1 44 . 1 1 47 47 MET N N 15 0.34564 0.002712 . . . . 165 MET N 51513 1 45 . 1 1 48 48 ALA N N 15 0.268156 0.001606 . . . . 166 ALA N 51513 1 46 . 1 1 49 49 GLU N N 15 0.290855 0.002447 . . . . 167 GLU N 51513 1 47 . 1 1 50 50 LEU N N 15 0.272239 0.00076 . . . . 168 LEU N 51513 1 48 . 1 1 51 51 GLU N N 15 0.259259 0.001059 . . . . 169 GLU N 51513 1 49 . 1 1 52 52 GLU N N 15 0.412809 0.004916 . . . . 170 GLU N 51513 1 50 . 1 1 53 53 LEU N N 15 0.274834 0.001836 . . . . 171 LEU N 51513 1 51 . 1 1 54 54 GLU N N 15 0.272965 0.001562 . . . . 172 GLU N 51513 1 52 . 1 1 55 55 GLN N N 15 0.439455 0.004167 . . . . 173 GLN N 51513 1 53 . 1 1 56 56 GLU N N 15 0.404418 0.001558 . . . . 174 GLU N 51513 1 54 . 1 1 57 57 GLU N N 15 0.271092 0.001519 . . . . 175 GLU N 51513 1 55 . 1 1 58 58 LEU N N 15 0.308301 0.002564 . . . . 176 LEU N 51513 1 56 . 1 1 59 59 ASP N N 15 0.3429 0.002883 . . . . 177 ASP N 51513 1 57 . 1 1 60 60 LYS N N 15 0.282141 0.00282 . . . . 178 LYS N 51513 1 58 . 1 1 61 61 ASN N N 15 0.291644 0.002999 . . . . 179 ASN N 51513 1 59 . 1 1 62 62 LEU N N 15 0.338347 0.001433 . . . . 180 LEU N 51513 1 60 . 1 1 63 63 LEU N N 15 0.356906 0.002578 . . . . 181 LEU N 51513 1 61 . 1 1 64 64 GLU N N 15 0.373106 0.003062 . . . . 182 GLU N 51513 1 62 . 1 1 65 65 ILE N N 15 0.430221 0.004246 . . . . 183 ILE N 51513 1 63 . 1 1 66 66 CYS N N 15 0.421088 0.006705 . . . . 184 CYS N 51513 1 64 . 1 1 67 67 GLY N N 15 0.478549 0.009984 . . . . 185 GLY N 51513 1 65 . 1 1 69 69 GLU N N 15 0.431595 0.005951 . . . . 187 GLU N 51513 1 66 . 1 1 70 70 THR N N 15 0.440432 0.00638 . . . . 188 THR N 51513 1 67 . 1 1 71 71 VAL N N 15 0.38963 0.003932 . . . . 189 VAL N 51513 1 68 . 1 1 73 73 LEU N N 15 0.404701 0.001657 . . . . 191 LEU N 51513 1 69 . 1 1 75 75 ASN N N 15 0.441236 0.009946 . . . . 193 ASN N 51513 1 70 . 1 1 76 76 VAL N N 15 0.33893 0.002876 . . . . 194 VAL N 51513 1 71 . 1 1 78 78 SER N N 15 0.434357 0.006761 . . . . 196 SER N 51513 1 72 . 1 1 79 79 ILE N N 15 0.43129 0.00624 . . . . 197 ILE N 51513 1 73 . 1 1 80 80 ALA N N 15 0.389769 0.005103 . . . . 198 ALA N 51513 1 74 . 1 1 81 81 LEU N N 15 0.411528 0.00518 . . . . 199 LEU N 51513 1 75 . 1 1 83 83 SER N N 15 0.430148 0.009999 . . . . 201 SER N 51513 1 76 . 1 1 84 84 LYS N N 15 0.39742 0.005732 . . . . 202 LYS N 51513 1 77 . 1 1 86 86 ALA N N 15 0.412964 0.006266 . . . . 204 ALA N 51513 1 78 . 1 1 87 87 LYS N N 15 0.383222 0.003113 . . . . 205 LYS N 51513 1 79 . 1 1 88 88 LYS N N 15 0.349533 0.004563 . . . . 206 LYS N 51513 1 80 . 1 1 89 89 LYS N N 15 0.334798 0.004212 . . . . 207 LYS N 51513 1 81 . 1 1 90 90 GLU N N 15 0.315368 0.003218 . . . . 208 GLU N 51513 1 82 . 1 1 91 91 GLU N N 15 0.354155 0.004755 . . . . 209 GLU N 51513 1 83 . 1 1 92 92 GLU N N 15 0.431852 0.004578 . . . . 210 GLU N 51513 1 84 . 1 1 93 93 ASP N N 15 0.41695 0.005871 . . . . 211 ASP N 51513 1 85 . 1 1 94 94 ASP N N 15 0.415206 0.005575 . . . . 212 ASP N 51513 1 86 . 1 1 95 95 ASP N N 15 0.3429 0.002883 . . . . 213 ASP N 51513 1 87 . 1 1 96 96 MET N N 15 0.402045 0.004219 . . . . 214 MET N 51513 1 88 . 1 1 99 99 LEU N N 15 0.43292 0.004357 . . . . 217 LEU N 51513 1 89 . 1 1 100 100 GLU N N 15 0.467744 0.005048 . . . . 218 GLU N 51513 1 90 . 1 1 101 101 ASN N N 15 0.504211 0.010898 . . . . 219 ASN N 51513 1 91 . 1 1 102 102 TRP N N 15 0.553721 0.01007 . . . . 220 TRP N 51513 1 92 . 1 1 103 103 ALA N N 15 0.565755 0.010298 . . . . 221 ALA N 51513 1 93 . 1 1 104 104 GLY N N 15 0.720754 0.015151 . . . . 222 GLY N 51513 1 94 . 1 1 105 105 SER N N 15 0.820824 0.027178 . . . . 223 SER N 51513 1 95 . 1 1 106 106 MET N N 15 1.210746 0.009616 . . . . 224 MET N 51513 1 stop_ save_