data_c25201_2mu7 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25201_2mu7 _Entry.Title ; Shortening and modifying the 1513 MSP-1 peptide's alpha-helical region induces protection against malaria ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-04 _Entry.Accession_date 2014-09-04 _Entry.Last_release_date 2014-11-10 _Entry.Original_release_date 2014-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Fabiola Espejo . . . c25201_2mu7 2 Adriana Bermudez . . . c25201_2mu7 3 Elizabeth Torres . . . c25201_2mu7 4 Mauricio Urquiza . . . c25201_2mu7 5 Raul Rodriguez . . . c25201_2mu7 6 Yolanda Lopez . . . c25201_2mu7 7 'Manuel Elkin' Patarroyo . . . c25201_2mu7 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c25201_2mu7 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID peptide . c25201_2mu7 'MSP-1 protein' . c25201_2mu7 NMR . c25201_2mu7 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25201_2mu7 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 127 c25201_2mu7 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-11-10 2014-09-04 original author . c25201_2mu7 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25204 'Malarial Peptide 6673' c25201_2mu7 PDB 2MU7 'BMRB Entry Tracking System' c25201_2mu7 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25201_2mu7 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title "Shortening modifying the 1513 MSP-1 peptide's alpha-helical region induces protection against malaria" _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Fabiola Espejo . . . c25201_2mu7 1 2 Adriana Bermudez . . . c25201_2mu7 1 3 Elizabeth Torres . . . c25201_2mu7 1 4 Mauricio Urquiza . . . c25201_2mu7 1 5 Raul Rodriguez . . . c25201_2mu7 1 6 Yolanda Lopez . . . c25201_2mu7 1 7 'Manuel Elkin' Patarroyo . . . c25201_2mu7 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25201_2mu7 _Assembly.ID 1 _Assembly.Name '1513 MSP-1 peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . c25201_2mu7 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c25201_2mu7 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GYSLFQKEKMVLNEGTSGTA _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 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2162.436 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 GLY . c25201_2mu7 1 2 2 TYR . c25201_2mu7 1 3 3 SER . c25201_2mu7 1 4 4 LEU . c25201_2mu7 1 5 5 PHE . c25201_2mu7 1 6 6 GLN . c25201_2mu7 1 7 7 LYS . c25201_2mu7 1 8 8 GLU . c25201_2mu7 1 9 9 LYS . c25201_2mu7 1 10 10 MET . c25201_2mu7 1 11 11 VAL . c25201_2mu7 1 12 12 LEU . c25201_2mu7 1 13 13 ASN . c25201_2mu7 1 14 14 GLU . c25201_2mu7 1 15 15 GLY . c25201_2mu7 1 16 16 THR . c25201_2mu7 1 17 17 SER . c25201_2mu7 1 18 18 GLY . c25201_2mu7 1 19 19 THR . c25201_2mu7 1 20 20 ALA . c25201_2mu7 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 c25201_2mu7 1 . TYR 2 2 c25201_2mu7 1 . SER 3 3 c25201_2mu7 1 . LEU 4 4 c25201_2mu7 1 . PHE 5 5 c25201_2mu7 1 . GLN 6 6 c25201_2mu7 1 . LYS 7 7 c25201_2mu7 1 . GLU 8 8 c25201_2mu7 1 . LYS 9 9 c25201_2mu7 1 . MET 10 10 c25201_2mu7 1 . VAL 11 11 c25201_2mu7 1 . LEU 12 12 c25201_2mu7 1 . ASN 13 13 c25201_2mu7 1 . GLU 14 14 c25201_2mu7 1 . GLY 15 15 c25201_2mu7 1 . THR 16 16 c25201_2mu7 1 . SER 17 17 c25201_2mu7 1 . GLY 18 18 c25201_2mu7 1 . THR 19 19 c25201_2mu7 1 . ALA 20 20 c25201_2mu7 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c25201_2mu7 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c25201_2mu7 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c25201_2mu7 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c25201_2mu7 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25201_2mu7 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _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 entity 'natural abundance' . . 1 $entity . . 8 . . mM . . . . c25201_2mu7 1 2 H2O 'natural abundance' . . . . . . 70 . . % . . . . c25201_2mu7 1 3 trifluoroethanol 'natural abundance' . . . . . . 30 . . % . . . . c25201_2mu7 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 c25201_2mu7 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 295 . K c25201_2mu7 1 pH 3.7 . pH c25201_2mu7 1 pressure 1 . atm c25201_2mu7 1 stop_ save_ ############################ # Computer software used # ############################ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID c25201_2mu7 _Software.ID 1 _Software.Name InsightII _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . c25201_2mu7 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c25201_2mu7 1 refinement c25201_2mu7 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c25201_2mu7 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c25201_2mu7 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . c25201_2mu7 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c25201_2mu7 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25201_2mu7 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25201_2mu7 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25201_2mu7 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c25201_2mu7 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . c25201_2mu7 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . c25201_2mu7 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . c25201_2mu7 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . c25201_2mu7 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c25201_2mu7 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-1H TOCSY' . . . c25201_2mu7 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.710 0.02 . 2 . . . A 1 GLY HA2 . c25201_2mu7 1 2 . 1 1 1 1 GLY HA3 H 1 3.850 0.02 . 2 . . . A 1 GLY HA3 . c25201_2mu7 1 3 . 1 1 1 1 GLY H H 1 7.960 0.02 . 1 . . . A 1 GLY H1 . c25201_2mu7 1 4 . 1 1 2 2 TYR H H 1 8.010 0.02 . 1 . . . A 2 TYR H . c25201_2mu7 1 5 . 1 1 2 2 TYR HA H 1 4.410 0.02 . 1 . . . A 2 TYR HA . c25201_2mu7 1 6 . 1 1 2 2 TYR HB2 H 1 3.040 0.02 . 2 . . . A 2 TYR HB2 . c25201_2mu7 1 7 . 1 1 2 2 TYR HB3 H 1 2.990 0.02 . 2 . . . A 2 TYR HB3 . c25201_2mu7 1 8 . 1 1 2 2 TYR HD1 H 1 7.050 0.02 . 1 . . . A 2 TYR HD1 . c25201_2mu7 1 9 . 1 1 2 2 TYR HD2 H 1 7.050 0.02 . 1 . . . A 2 TYR HD2 . c25201_2mu7 1 10 . 1 1 2 2 TYR HE1 H 1 6.750 0.02 . 1 . . . A 2 TYR HE1 . c25201_2mu7 1 11 . 1 1 2 2 TYR HE2 H 1 6.750 0.02 . 1 . . . A 2 TYR HE2 . c25201_2mu7 1 12 . 1 1 3 3 SER H H 1 8.300 0.02 . 1 . . . A 3 SER H . c25201_2mu7 1 13 . 1 1 3 3 SER HA H 1 4.260 0.02 . 1 . . . A 3 SER HA . c25201_2mu7 1 14 . 1 1 3 3 SER HB2 H 1 4.000 0.02 . 2 . . . A 3 SER HB2 . c25201_2mu7 1 15 . 1 1 3 3 SER HB3 H 1 3.920 0.02 . 2 . . . A 3 SER HB3 . c25201_2mu7 1 16 . 1 1 4 4 LEU H H 1 7.730 0.02 . 1 . . . A 4 LEU H . c25201_2mu7 1 17 . 1 1 4 4 LEU HA H 1 4.090 0.02 . 1 . . . A 4 LEU HA . c25201_2mu7 1 18 . 1 1 4 4 LEU HB2 H 1 1.450 0.02 . 2 . . . A 4 LEU HB2 . c25201_2mu7 1 19 . 1 1 4 4 LEU HB3 H 1 1.520 0.02 . 2 . . . A 4 LEU HB3 . c25201_2mu7 1 20 . 1 1 4 4 LEU HD11 H 1 0.770 0.02 . 2 . . . A 4 LEU HD11 . c25201_2mu7 1 21 . 1 1 4 4 LEU HD12 H 1 0.770 0.02 . 2 . . . A 4 LEU HD12 . c25201_2mu7 1 22 . 1 1 4 4 LEU HD13 H 1 0.770 0.02 . 2 . . . A 4 LEU HD13 . c25201_2mu7 1 23 . 1 1 4 4 LEU HD21 H 1 0.840 0.02 . 2 . . . A 4 LEU HD21 . c25201_2mu7 1 24 . 1 1 4 4 LEU HD22 H 1 0.840 0.02 . 2 . . . A 4 LEU HD22 . c25201_2mu7 1 25 . 1 1 4 4 LEU HD23 H 1 0.840 0.02 . 2 . . . A 4 LEU HD23 . c25201_2mu7 1 26 . 1 1 5 5 PHE H H 1 7.670 0.02 . 1 . . . A 5 PHE H . c25201_2mu7 1 27 . 1 1 5 5 PHE HA H 1 4.300 0.02 . 1 . . . A 5 PHE HA . c25201_2mu7 1 28 . 1 1 5 5 PHE HB2 H 1 3.100 0.02 . 2 . . . A 5 PHE HB2 . c25201_2mu7 1 29 . 1 1 5 5 PHE HB3 H 1 3.050 0.02 . 2 . . . A 5 PHE HB3 . c25201_2mu7 1 30 . 1 1 5 5 PHE HD1 H 1 7.130 0.02 . 3 . . . A 5 PHE HD1 . c25201_2mu7 1 31 . 1 1 5 5 PHE HD2 H 1 7.150 0.02 . 3 . . . A 5 PHE HD2 . c25201_2mu7 1 32 . 1 1 5 5 PHE HE1 H 1 7.150 0.02 . 3 . . . A 5 PHE HE1 . c25201_2mu7 1 33 . 1 1 5 5 PHE HE2 H 1 7.130 0.02 . 3 . . . A 5 PHE HE2 . c25201_2mu7 1 34 . 1 1 6 6 GLN H H 1 7.930 0.02 . 1 . . . A 6 GLN H . c25201_2mu7 1 35 . 1 1 6 6 GLN HA H 1 3.850 0.02 . 1 . . . A 6 GLN HA . c25201_2mu7 1 36 . 1 1 6 6 GLN HB2 H 1 2.100 0.02 . 2 . . . A 6 GLN HB2 . c25201_2mu7 1 37 . 1 1 6 6 GLN HB3 H 1 2.010 0.02 . 2 . . . A 6 GLN HB3 . c25201_2mu7 1 38 . 1 1 6 6 GLN HG2 H 1 2.250 0.02 . 1 . . . A 6 GLN HG2 . c25201_2mu7 1 39 . 1 1 6 6 GLN HG3 H 1 2.250 0.02 . 1 . . . A 6 GLN HG3 . c25201_2mu7 1 40 . 1 1 6 6 GLN HE21 H 1 6.720 0.02 . 2 . . . A 6 GLN HE21 . c25201_2mu7 1 41 . 1 1 6 6 GLN HE22 H 1 7.520 0.02 . 2 . . . A 6 GLN HE22 . c25201_2mu7 1 42 . 1 1 7 7 LYS H H 1 7.830 0.02 . 1 . . . A 7 LYS H . c25201_2mu7 1 43 . 1 1 7 7 LYS HA H 1 3.980 0.02 . 1 . . . A 7 LYS HA . c25201_2mu7 1 44 . 1 1 7 7 LYS HB2 H 1 1.590 0.02 . 2 . . . A 7 LYS HB2 . c25201_2mu7 1 45 . 1 1 7 7 LYS HB3 H 1 1.870 0.02 . 2 . . . A 7 LYS HB3 . c25201_2mu7 1 46 . 1 1 7 7 LYS HG2 H 1 1.340 0.02 . 1 . . . A 7 LYS HG2 . c25201_2mu7 1 47 . 1 1 7 7 LYS HG3 H 1 1.340 0.02 . 1 . . . A 7 LYS HG3 . c25201_2mu7 1 48 . 1 1 7 7 LYS HE2 H 1 2.840 0.02 . 1 . . . A 7 LYS HE2 . c25201_2mu7 1 49 . 1 1 7 7 LYS HE3 H 1 2.840 0.02 . 1 . . . A 7 LYS HE3 . c25201_2mu7 1 50 . 1 1 8 8 GLU H H 1 8.250 0.02 . 1 . . . A 8 GLU H . c25201_2mu7 1 51 . 1 1 8 8 GLU HA H 1 3.920 0.02 . 1 . . . A 8 GLU HA . c25201_2mu7 1 52 . 1 1 8 8 GLU HB2 H 1 2.100 0.02 . 2 . . . A 8 GLU HB2 . c25201_2mu7 1 53 . 1 1 8 8 GLU HB3 H 1 2.290 0.02 . 2 . . . A 8 GLU HB3 . c25201_2mu7 1 54 . 1 1 8 8 GLU HG2 H 1 2.500 0.02 . 1 . . . A 8 GLU HG2 . c25201_2mu7 1 55 . 1 1 8 8 GLU HG3 H 1 2.500 0.02 . 1 . . . A 8 GLU HG3 . c25201_2mu7 1 56 . 1 1 9 9 LYS H H 1 7.890 0.02 . 1 . . . A 9 LYS H . c25201_2mu7 1 57 . 1 1 9 9 LYS HA H 1 3.850 0.02 . 1 . . . A 9 LYS HA . c25201_2mu7 1 58 . 1 1 9 9 LYS HB2 H 1 2.200 0.02 . 2 . . . A 9 LYS HB2 . c25201_2mu7 1 59 . 1 1 9 9 LYS HB3 H 1 2.290 0.02 . 2 . . . A 9 LYS HB3 . c25201_2mu7 1 60 . 1 1 9 9 LYS HG2 H 1 1.320 0.02 . 2 . . . A 9 LYS HG2 . c25201_2mu7 1 61 . 1 1 9 9 LYS HG3 H 1 1.350 0.02 . 2 . . . A 9 LYS HG3 . c25201_2mu7 1 62 . 1 1 9 9 LYS HE2 H 1 2.900 0.02 . 1 . . . A 9 LYS HE2 . c25201_2mu7 1 63 . 1 1 9 9 LYS HE3 H 1 2.900 0.02 . 1 . . . A 9 LYS HE3 . c25201_2mu7 1 64 . 1 1 10 10 MET H H 1 7.740 0.02 . 1 . . . A 10 MET H . c25201_2mu7 1 65 . 1 1 10 10 MET HA H 1 4.140 0.02 . 1 . . . A 10 MET HA . c25201_2mu7 1 66 . 1 1 10 10 MET HB2 H 1 2.140 0.02 . 1 . . . A 10 MET HB2 . c25201_2mu7 1 67 . 1 1 10 10 MET HB3 H 1 2.140 0.02 . 1 . . . A 10 MET HB3 . c25201_2mu7 1 68 . 1 1 10 10 MET HG2 H 1 2.640 0.02 . 2 . . . A 10 MET HG2 . c25201_2mu7 1 69 . 1 1 10 10 MET HG3 H 1 2.450 0.02 . 2 . . . A 10 MET HG3 . c25201_2mu7 1 70 . 1 1 11 11 VAL H H 1 7.950 0.02 . 1 . . . A 11 VAL H . c25201_2mu7 1 71 . 1 1 11 11 VAL HA H 1 3.740 0.02 . 1 . . . A 11 VAL HA . c25201_2mu7 1 72 . 1 1 11 11 VAL HB H 1 2.130 0.02 . 1 . . . A 11 VAL HB . c25201_2mu7 1 73 . 1 1 11 11 VAL HG11 H 1 0.970 0.02 . 2 . . . A 11 VAL HG11 . c25201_2mu7 1 74 . 1 1 11 11 VAL HG12 H 1 0.970 0.02 . 2 . . . A 11 VAL HG12 . c25201_2mu7 1 75 . 1 1 11 11 VAL HG13 H 1 0.970 0.02 . 2 . . . A 11 VAL HG13 . c25201_2mu7 1 76 . 1 1 11 11 VAL HG21 H 1 0.870 0.02 . 2 . . . A 11 VAL HG21 . c25201_2mu7 1 77 . 1 1 11 11 VAL HG22 H 1 0.870 0.02 . 2 . . . A 11 VAL HG22 . c25201_2mu7 1 78 . 1 1 11 11 VAL HG23 H 1 0.870 0.02 . 2 . . . A 11 VAL HG23 . c25201_2mu7 1 79 . 1 1 12 12 LEU H H 1 8.070 0.02 . 1 . . . A 12 LEU H . c25201_2mu7 1 80 . 1 1 12 12 LEU HA H 1 4.140 0.02 . 1 . . . A 12 LEU HA . c25201_2mu7 1 81 . 1 1 12 12 LEU HB2 H 1 1.490 0.02 . 2 . . . A 12 LEU HB2 . c25201_2mu7 1 82 . 1 1 12 12 LEU HB3 H 1 1.700 0.02 . 2 . . . A 12 LEU HB3 . c25201_2mu7 1 83 . 1 1 12 12 LEU HD11 H 1 0.790 0.02 . 1 . . . A 12 LEU HD11 . c25201_2mu7 1 84 . 1 1 12 12 LEU HD12 H 1 0.790 0.02 . 1 . . . A 12 LEU HD12 . c25201_2mu7 1 85 . 1 1 12 12 LEU HD13 H 1 0.790 0.02 . 1 . . . A 12 LEU HD13 . c25201_2mu7 1 86 . 1 1 12 12 LEU HD21 H 1 0.790 0.02 . 1 . . . A 12 LEU HD21 . c25201_2mu7 1 87 . 1 1 12 12 LEU HD22 H 1 0.790 0.02 . 1 . . . A 12 LEU HD22 . c25201_2mu7 1 88 . 1 1 12 12 LEU HD23 H 1 0.790 0.02 . 1 . . . A 12 LEU HD23 . c25201_2mu7 1 89 . 1 1 13 13 ASN H H 1 7.970 0.02 . 1 . . . A 13 ASN H . c25201_2mu7 1 90 . 1 1 13 13 ASN HA H 1 4.570 0.02 . 1 . . . A 13 ASN HA . c25201_2mu7 1 91 . 1 1 13 13 ASN HB2 H 1 2.740 0.02 . 2 . . . A 13 ASN HB2 . c25201_2mu7 1 92 . 1 1 13 13 ASN HB3 H 1 2.780 0.02 . 2 . . . A 13 ASN HB3 . c25201_2mu7 1 93 . 1 1 13 13 ASN HD21 H 1 7.560 0.02 . 2 . . . A 13 ASN HD21 . c25201_2mu7 1 94 . 1 1 13 13 ASN HD22 H 1 6.780 0.02 . 2 . . . A 13 ASN HD22 . c25201_2mu7 1 95 . 1 1 14 14 GLU H H 1 8.070 0.02 . 1 . . . A 14 GLU H . c25201_2mu7 1 96 . 1 1 14 14 GLU HA H 1 4.240 0.02 . 1 . . . A 14 GLU HA . c25201_2mu7 1 97 . 1 1 14 14 GLU HB2 H 1 2.070 0.02 . 2 . . . A 14 GLU HB2 . c25201_2mu7 1 98 . 1 1 14 14 GLU HB3 H 1 2.110 0.02 . 2 . . . A 14 GLU HB3 . c25201_2mu7 1 99 . 1 1 14 14 GLU HG2 H 1 2.520 0.02 . 2 . . . A 14 GLU HG2 . c25201_2mu7 1 100 . 1 1 14 14 GLU HG3 H 1 2.440 0.02 . 2 . . . A 14 GLU HG3 . c25201_2mu7 1 101 . 1 1 15 15 GLY H H 1 8.250 0.02 . 1 . . . A 15 GLY H . c25201_2mu7 1 102 . 1 1 15 15 GLY HA2 H 1 3.960 0.02 . 1 . . . A 15 GLY HA2 . c25201_2mu7 1 103 . 1 1 15 15 GLY HA3 H 1 3.960 0.02 . 1 . . . A 15 GLY HA3 . c25201_2mu7 1 104 . 1 1 16 16 THR H H 1 7.870 0.02 . 1 . . . A 16 THR H . c25201_2mu7 1 105 . 1 1 16 16 THR HA H 1 4.380 0.02 . 1 . . . A 16 THR HA . c25201_2mu7 1 106 . 1 1 16 16 THR HB H 1 4.210 0.02 . 1 . . . A 16 THR HB . c25201_2mu7 1 107 . 1 1 16 16 THR HG21 H 1 1.150 0.02 . 1 . . . A 16 THR HG21 . c25201_2mu7 1 108 . 1 1 16 16 THR HG22 H 1 1.150 0.02 . 1 . . . A 16 THR HG22 . c25201_2mu7 1 109 . 1 1 16 16 THR HG23 H 1 1.150 0.02 . 1 . . . A 16 THR HG23 . c25201_2mu7 1 110 . 1 1 17 17 SER H H 1 8.160 0.02 . 1 . . . A 17 SER H . c25201_2mu7 1 111 . 1 1 17 17 SER HA H 1 4.430 0.02 . 1 . . . A 17 SER HA . c25201_2mu7 1 112 . 1 1 17 17 SER HB2 H 1 3.900 0.02 . 2 . . . A 17 SER HB2 . c25201_2mu7 1 113 . 1 1 17 17 SER HB3 H 1 3.920 0.02 . 2 . . . A 17 SER HB3 . c25201_2mu7 1 114 . 1 1 18 18 GLY H H 1 8.290 0.02 . 1 . . . A 18 GLY H . c25201_2mu7 1 115 . 1 1 18 18 GLY HA2 H 1 3.960 0.02 . 1 . . . A 18 GLY HA2 . c25201_2mu7 1 116 . 1 1 18 18 GLY HA3 H 1 3.960 0.02 . 1 . . . A 18 GLY HA3 . c25201_2mu7 1 117 . 1 1 19 19 THR H H 1 7.900 0.02 . 1 . . . A 19 THR H . c25201_2mu7 1 118 . 1 1 19 19 THR HA H 1 4.300 0.02 . 1 . . . A 19 THR HA . c25201_2mu7 1 119 . 1 1 19 19 THR HB H 1 4.220 0.02 . 1 . . . A 19 THR HB . c25201_2mu7 1 120 . 1 1 19 19 THR HG21 H 1 1.150 0.02 . 1 . . . A 19 THR HG21 . c25201_2mu7 1 121 . 1 1 19 19 THR HG22 H 1 1.150 0.02 . 1 . . . A 19 THR HG22 . c25201_2mu7 1 122 . 1 1 19 19 THR HG23 H 1 1.150 0.02 . 1 . . . A 19 THR HG23 . c25201_2mu7 1 123 . 1 1 20 20 ALA H H 1 8.090 0.02 . 1 . . . A 20 ALA H . c25201_2mu7 1 124 . 1 1 20 20 ALA HA H 1 4.270 0.02 . 1 . . . A 20 ALA HA . c25201_2mu7 1 125 . 1 1 20 20 ALA HB1 H 1 1.360 0.02 . 1 . . . A 20 ALA HB1 . c25201_2mu7 1 126 . 1 1 20 20 ALA HB2 H 1 1.360 0.02 . 1 . . . A 20 ALA HB2 . c25201_2mu7 1 127 . 1 1 20 20 ALA HB3 H 1 1.360 0.02 . 1 . . . A 20 ALA HB3 . c25201_2mu7 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c25201_2mu7 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c25201_2mu7 _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c25201_2mu7 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c25201_2mu7 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 GLY C C 12.183 -4.034 0.114 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . c25201_2mu7 1 . 1 . 2 . 1 1 1 GLY CA C 13.723 -4.024 0.015 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . c25201_2mu7 1 . 1 . 3 . 1 1 1 GLY H1 H 14.436 -3.275 -1.932 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . c25201_2mu7 1 . 1 . 4 . 1 1 1 GLY HA2 H 14.187 -4.815 0.639 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . c25201_2mu7 1 . 1 . 5 . 1 1 1 GLY HA3 H 14.087 -3.076 0.452 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . c25201_2mu7 1 . 1 . 6 . 1 1 1 GLY N N 14.220 -4.110 -1.377 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . c25201_2mu7 1 . 1 . 7 . 1 1 1 GLY O O 11.499 -3.308 -0.616 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . c25201_2mu7 1 . 1 . 8 . 1 1 2 TYR C C 9.556 -3.663 1.906 . . . 1.0 . . . . . . . . . . . . A . 2 TYR C . . . . . . . . . c25201_2mu7 1 . 1 . 9 . 1 1 2 TYR CA C 10.186 -4.959 1.287 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CA . . . . . . . . . c25201_2mu7 1 . 1 . 10 . 1 1 2 TYR CB C 9.836 -6.278 2.064 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CB . . . . . . . . . c25201_2mu7 1 . 1 . 11 . 1 1 2 TYR CD1 C 7.801 -7.410 1.024 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD1 . . . . . . . . . c25201_2mu7 1 . 1 . 12 . 1 1 2 TYR CD2 C 7.496 -6.202 3.093 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CD2 . . . . . . . . . c25201_2mu7 1 . 1 . 13 . 1 1 2 TYR CE1 C 6.451 -7.751 1.024 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE1 . . . . . . . . . c25201_2mu7 1 . 1 . 14 . 1 1 2 TYR CE2 C 6.144 -6.537 3.087 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CE2 . . . . . . . . . c25201_2mu7 1 . 1 . 15 . 1 1 2 TYR CG C 8.336 -6.636 2.060 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CG . . . . . . . . . c25201_2mu7 1 . 1 . 16 . 1 1 2 TYR CZ C 5.622 -7.315 2.056 . . . 1.0 . . . . . . . . . . . . A . 2 TYR CZ . . . . . . . . . c25201_2mu7 1 . 1 . 17 . 1 1 2 TYR H H 12.313 -5.399 1.581 . . . 1.0 . . . . . . . . . . . . A . 2 TYR H . . . . . . . . . c25201_2mu7 1 . 1 . 18 . 1 1 2 TYR HA H 9.764 -5.059 0.274 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HA . . . . . . . . . c25201_2mu7 1 . 1 . 19 . 1 1 2 TYR HB2 H 10.383 -7.163 1.665 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 20 . 1 1 2 TYR HB3 H 10.205 -6.221 3.105 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 21 . 1 1 2 TYR HD1 H 8.431 -7.755 0.215 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD1 . . . . . . . . . c25201_2mu7 1 . 1 . 22 . 1 1 2 TYR HD2 H 7.887 -5.601 3.902 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HD2 . . . . . . . . . c25201_2mu7 1 . 1 . 23 . 1 1 2 TYR HE1 H 6.048 -8.350 0.220 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE1 . . . . . . . . . c25201_2mu7 1 . 1 . 24 . 1 1 2 TYR HE2 H 5.502 -6.194 3.886 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HE2 . . . . . . . . . c25201_2mu7 1 . 1 . 25 . 1 1 2 TYR HH H 4.102 -8.172 1.270 . . . 1.0 . . . . . . . . . . . . A . 2 TYR HH . . . . . . . . . c25201_2mu7 1 . 1 . 26 . 1 1 2 TYR N N 11.648 -4.843 1.050 . . . 1.0 . . . . . . . . . . . . A . 2 TYR N . . . . . . . . . c25201_2mu7 1 . 1 . 27 . 1 1 2 TYR O O 8.563 -3.187 1.353 . . . 1.0 . . . . . . . . . . . . A . 2 TYR O . . . . . . . . . c25201_2mu7 1 . 1 . 28 . 1 1 2 TYR OH O 4.291 -7.645 2.050 . . . 1.0 . . . . . . . . . . . . A . 2 TYR OH . . . . . . . . . c25201_2mu7 1 . 1 . 29 . 1 1 3 SER C C 10.420 -0.629 2.878 . . . 1.0 . . . . . . . . . . . . A . 3 SER C . . . . . . . . . c25201_2mu7 1 . 1 . 30 . 1 1 3 SER CA C 9.644 -1.799 3.563 . . . 1.0 . . . . . . . . . . . . A . 3 SER CA . . . . . . . . . c25201_2mu7 1 . 1 . 31 . 1 1 3 SER CB C 9.783 -1.850 5.101 . . . 1.0 . . . . . . . . . . . . A . 3 SER CB . . . . . . . . . c25201_2mu7 1 . 1 . 32 . 1 1 3 SER H H 11.126 -2.941 2.745 . . . 1.0 . . . . . . . . . . . . A . 3 SER H . . . . . . . . . c25201_2mu7 1 . 1 . 33 . 1 1 3 SER HA H 8.576 -1.710 3.331 . . . 1.0 . . . . . . . . . . . . A . 3 SER HA . . . . . . . . . c25201_2mu7 1 . 1 . 34 . 1 1 3 SER HB2 H 9.294 -2.752 5.516 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 35 . 1 1 3 SER HB3 H 10.845 -1.909 5.412 . . . 1.0 . . . . . . . . . . . . A . 3 SER HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 36 . 1 1 3 SER HG H 9.656 0.056 5.332 . . . 1.0 . . . . . . . . . . . . A . 3 SER HG . . . . . . . . . c25201_2mu7 1 . 1 . 37 . 1 1 3 SER N N 10.145 -3.062 2.972 . . . 1.0 . . . . . . . . . . . . A . 3 SER N . . . . . . . . . c25201_2mu7 1 . 1 . 38 . 1 1 3 SER O O 11.245 0.073 3.470 . . . 1.0 . . . . . . . . . . . . A . 3 SER O . . . . . . . . . c25201_2mu7 1 . 1 . 39 . 1 1 3 SER OG O 9.185 -0.700 5.690 . . . 1.0 . . . . . . . . . . . . A . 3 SER OG . . . . . . . . . c25201_2mu7 1 . 1 . 40 . 1 1 4 LEU C C 9.796 0.560 -0.631 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c25201_2mu7 1 . 1 . 41 . 1 1 4 LEU CA C 10.691 0.490 0.636 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c25201_2mu7 1 . 1 . 42 . 1 1 4 LEU CB C 12.186 0.092 0.451 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c25201_2mu7 1 . 1 . 43 . 1 1 4 LEU CD1 C 13.197 2.247 -0.512 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c25201_2mu7 1 . 1 . 44 . 1 1 4 LEU CD2 C 14.373 0.030 -0.855 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c25201_2mu7 1 . 1 . 45 . 1 1 4 LEU CG C 13.010 0.729 -0.703 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c25201_2mu7 1 . 1 . 46 . 1 1 4 LEU H H 9.402 -1.168 1.306 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c25201_2mu7 1 . 1 . 47 . 1 1 4 LEU HA H 10.610 1.475 1.071 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c25201_2mu7 1 . 1 . 48 . 1 1 4 LEU HB2 H 12.742 0.219 1.382 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 49 . 1 1 4 LEU HB3 H 12.193 -0.994 0.432 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 50 . 1 1 4 LEU HD11 H 12.226 2.774 -0.466 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c25201_2mu7 1 . 1 . 51 . 1 1 4 LEU HD12 H 13.744 2.485 0.420 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c25201_2mu7 1 . 1 . 52 . 1 1 4 LEU HD13 H 13.762 2.698 -1.350 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c25201_2mu7 1 . 1 . 53 . 1 1 4 LEU HD21 H 14.989 0.111 0.060 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c25201_2mu7 1 . 1 . 54 . 1 1 4 LEU HD22 H 14.962 0.457 -1.688 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c25201_2mu7 1 . 1 . 55 . 1 1 4 LEU HD23 H 14.253 -1.048 -1.073 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c25201_2mu7 1 . 1 . 56 . 1 1 4 LEU HG H 12.473 0.577 -1.656 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c25201_2mu7 1 . 1 . 57 . 1 1 4 LEU N N 10.079 -0.463 1.586 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c25201_2mu7 1 . 1 . 58 . 1 1 4 LEU O O 8.991 1.489 -0.756 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c25201_2mu7 1 . 1 . 59 . 1 1 5 PHE C C 7.607 -0.864 -2.385 . . . 1.0 . . . . . . . . . . . . A . 5 PHE C . . . . . . . . . c25201_2mu7 1 . 1 . 60 . 1 1 5 PHE CA C 9.080 -0.535 -2.769 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CA . . . . . . . . . c25201_2mu7 1 . 1 . 61 . 1 1 5 PHE CB C 9.698 -1.576 -3.761 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CB . . . . . . . . . c25201_2mu7 1 . 1 . 62 . 1 1 5 PHE CD1 C 11.245 -0.239 -5.294 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD1 . . . . . . . . . c25201_2mu7 1 . 1 . 63 . 1 1 5 PHE CD2 C 12.236 -1.855 -3.797 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CD2 . . . . . . . . . c25201_2mu7 1 . 1 . 64 . 1 1 5 PHE CE1 C 12.513 0.111 -5.752 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE1 . . . . . . . . . c25201_2mu7 1 . 1 . 65 . 1 1 5 PHE CE2 C 13.502 -1.502 -4.254 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CE2 . . . . . . . . . c25201_2mu7 1 . 1 . 66 . 1 1 5 PHE CG C 11.097 -1.222 -4.308 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CG . . . . . . . . . c25201_2mu7 1 . 1 . 67 . 1 1 5 PHE CZ C 13.640 -0.519 -5.231 . . . 1.0 . . . . . . . . . . . . A . 5 PHE CZ . . . . . . . . . c25201_2mu7 1 . 1 . 68 . 1 1 5 PHE H H 10.658 -1.078 -1.420 . . . 1.0 . . . . . . . . . . . . A . 5 PHE H . . . . . . . . . c25201_2mu7 1 . 1 . 69 . 1 1 5 PHE HA H 9.110 0.469 -3.229 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HA . . . . . . . . . c25201_2mu7 1 . 1 . 70 . 1 1 5 PHE HB2 H 9.702 -2.595 -3.322 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 71 . 1 1 5 PHE HB3 H 9.021 -1.717 -4.616 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 72 . 1 1 5 PHE HD1 H 10.379 0.266 -5.699 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD1 . . . . . . . . . c25201_2mu7 1 . 1 . 73 . 1 1 5 PHE HD2 H 12.146 -2.617 -3.036 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HD2 . . . . . . . . . c25201_2mu7 1 . 1 . 74 . 1 1 5 PHE HE1 H 12.622 0.875 -6.508 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE1 . . . . . . . . . c25201_2mu7 1 . 1 . 75 . 1 1 5 PHE HE2 H 14.378 -1.988 -3.850 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HE2 . . . . . . . . . c25201_2mu7 1 . 1 . 76 . 1 1 5 PHE HZ H 14.623 -0.244 -5.584 . . . 1.0 . . . . . . . . . . . . A . 5 PHE HZ . . . . . . . . . c25201_2mu7 1 . 1 . 77 . 1 1 5 PHE N N 9.916 -0.411 -1.556 . . . 1.0 . . . . . . . . . . . . A . 5 PHE N . . . . . . . . . c25201_2mu7 1 . 1 . 78 . 1 1 5 PHE O O 6.690 -0.191 -2.865 . . . 1.0 . . . . . . . . . . . . A . 5 PHE O . . . . . . . . . c25201_2mu7 1 . 1 . 79 . 1 1 6 GLN C C 5.675 -1.229 0.265 . . . 1.0 . . . . . . . . . . . . A . 6 GLN C . . . . . . . . . c25201_2mu7 1 . 1 . 80 . 1 1 6 GLN CA C 6.082 -2.172 -0.912 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CA . . . . . . . . . c25201_2mu7 1 . 1 . 81 . 1 1 6 GLN CB C 6.175 -3.629 -0.393 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CB . . . . . . . . . c25201_2mu7 1 . 1 . 82 . 1 1 6 GLN CD C 3.639 -4.222 -0.234 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CD . . . . . . . . . c25201_2mu7 1 . 1 . 83 . 1 1 6 GLN CG C 5.025 -4.576 -0.809 . . . 1.0 . . . . . . . . . . . . A . 6 GLN CG . . . . . . . . . c25201_2mu7 1 . 1 . 84 . 1 1 6 GLN H H 8.208 -2.374 -1.105 . . . 1.0 . . . . . . . . . . . . A . 6 GLN H . . . . . . . . . c25201_2mu7 1 . 1 . 85 . 1 1 6 GLN HA H 5.312 -2.102 -1.705 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HA . . . . . . . . . c25201_2mu7 1 . 1 . 86 . 1 1 6 GLN HB2 H 7.147 -4.061 -0.670 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 87 . 1 1 6 GLN HB3 H 6.290 -3.629 0.697 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 88 . 1 1 6 GLN HE21 H 4.073 -5.159 1.486 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE21 . . . . . . . . . c25201_2mu7 1 . 1 . 89 . 1 1 6 GLN HE22 H 2.417 -4.380 1.350 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HE22 . . . . . . . . . c25201_2mu7 1 . 1 . 90 . 1 1 6 GLN HG2 H 4.959 -4.604 -1.913 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG2 . . . . . . . . . c25201_2mu7 1 . 1 . 91 . 1 1 6 GLN HG3 H 5.289 -5.611 -0.526 . . . 1.0 . . . . . . . . . . . . A . 6 GLN HG3 . . . . . . . . . c25201_2mu7 1 . 1 . 92 . 1 1 6 GLN N N 7.399 -1.864 -1.500 . . . 1.0 . . . . . . . . . . . . A . 6 GLN N . . . . . . . . . c25201_2mu7 1 . 1 . 93 . 1 1 6 GLN NE2 N 3.347 -4.627 0.993 . . . 1.0 . . . . . . . . . . . . A . 6 GLN NE2 . . . . . . . . . c25201_2mu7 1 . 1 . 94 . 1 1 6 GLN O O 4.496 -1.255 0.625 . . . 1.0 . . . . . . . . . . . . A . 6 GLN O . . . . . . . . . c25201_2mu7 1 . 1 . 95 . 1 1 6 GLN OE1 O 2.819 -3.580 -0.889 . . . 1.0 . . . . . . . . . . . . A . 6 GLN OE1 . . . . . . . . . c25201_2mu7 1 . 1 . 96 . 1 1 7 LYS C C 5.105 1.512 1.536 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . c25201_2mu7 1 . 1 . 97 . 1 1 7 LYS CA C 6.245 0.527 1.962 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . c25201_2mu7 1 . 1 . 98 . 1 1 7 LYS CB C 7.461 1.255 2.556 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . c25201_2mu7 1 . 1 . 99 . 1 1 7 LYS CD C 8.532 2.855 4.249 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . c25201_2mu7 1 . 1 . 100 . 1 1 7 LYS CE C 8.294 3.891 5.362 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . c25201_2mu7 1 . 1 . 101 . 1 1 7 LYS CG C 7.220 2.302 3.660 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . c25201_2mu7 1 . 1 . 102 . 1 1 7 LYS H H 7.522 -0.415 0.441 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . c25201_2mu7 1 . 1 . 103 . 1 1 7 LYS HA H 5.996 -0.124 2.789 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . c25201_2mu7 1 . 1 . 104 . 1 1 7 LYS HB2 H 8.102 0.488 3.008 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 105 . 1 1 7 LYS HB3 H 8.025 1.693 1.736 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 106 . 1 1 7 LYS HD2 H 9.139 2.016 4.645 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . c25201_2mu7 1 . 1 . 107 . 1 1 7 LYS HD3 H 9.136 3.307 3.439 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . c25201_2mu7 1 . 1 . 108 . 1 1 7 LYS HE2 H 7.702 4.742 4.977 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . c25201_2mu7 1 . 1 . 109 . 1 1 7 LYS HE3 H 7.703 3.446 6.184 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . c25201_2mu7 1 . 1 . 110 . 1 1 7 LYS HG2 H 6.618 3.131 3.245 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . c25201_2mu7 1 . 1 . 111 . 1 1 7 LYS HG3 H 6.610 1.840 4.458 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . c25201_2mu7 1 . 1 . 112 . 1 1 7 LYS HZ2 H 10.098 4.877 5.171 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . c25201_2mu7 1 . 1 . 113 . 1 1 7 LYS HZ3 H 9.384 5.109 6.623 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . c25201_2mu7 1 . 1 . 114 . 1 1 7 LYS N N 6.595 -0.431 0.879 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . c25201_2mu7 1 . 1 . 115 . 1 1 7 LYS NZ N 9.567 4.398 5.906 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . c25201_2mu7 1 . 1 . 116 . 1 1 7 LYS O O 4.086 1.626 2.220 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . c25201_2mu7 1 . 1 . 117 . 1 1 8 GLU C C 3.149 2.406 -0.980 . . . 1.0 . . . . . . . . . . . . A . 8 GLU C . . . . . . . . . c25201_2mu7 1 . 1 . 118 . 1 1 8 GLU CA C 4.358 3.084 -0.266 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CA . . . . . . . . . c25201_2mu7 1 . 1 . 119 . 1 1 8 GLU CB C 5.308 3.832 -1.248 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CB . . . . . . . . . c25201_2mu7 1 . 1 . 120 . 1 1 8 GLU CD C 4.608 6.302 -1.293 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CD . . . . . . . . . c25201_2mu7 1 . 1 . 121 . 1 1 8 GLU CG C 5.643 5.271 -0.833 . . . 1.0 . . . . . . . . . . . . A . 8 GLU CG . . . . . . . . . c25201_2mu7 1 . 1 . 122 . 1 1 8 GLU H H 6.173 2.042 -0.158 . . . 1.0 . . . . . . . . . . . . A . 8 GLU H . . . . . . . . . c25201_2mu7 1 . 1 . 123 . 1 1 8 GLU HA H 3.934 3.768 0.495 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HA . . . . . . . . . c25201_2mu7 1 . 1 . 124 . 1 1 8 GLU HB2 H 6.289 3.334 -1.420 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 125 . 1 1 8 GLU HB3 H 4.919 3.763 -2.262 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 126 . 1 1 8 GLU HE2 H 2.926 7.078 -0.694 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HE2 . . . . . . . . . c25201_2mu7 1 . 1 . 127 . 1 1 8 GLU HG2 H 5.787 5.342 0.265 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HG2 . . . . . . . . . c25201_2mu7 1 . 1 . 128 . 1 1 8 GLU HG3 H 6.630 5.494 -1.272 . . . 1.0 . . . . . . . . . . . . A . 8 GLU HG3 . . . . . . . . . c25201_2mu7 1 . 1 . 129 . 1 1 8 GLU N N 5.308 2.178 0.384 . . . 1.0 . . . . . . . . . . . . A . 8 GLU N . . . . . . . . . c25201_2mu7 1 . 1 . 130 . 1 1 8 GLU O O 2.075 3.013 -1.012 . . . 1.0 . . . . . . . . . . . . A . 8 GLU O . . . . . . . . . c25201_2mu7 1 . 1 . 131 . 1 1 8 GLU OE1 O 4.703 6.933 -2.345 . . . 1.0 . . . . . . . . . . . . A . 8 GLU OE1 . . . . . . . . . c25201_2mu7 1 . 1 . 132 . 1 1 8 GLU OE2 O 3.574 6.434 -0.401 . . . 1.0 . . . . . . . . . . . . A . 8 GLU OE2 . . . . . . . . . c25201_2mu7 1 . 1 . 133 . 1 1 9 LYS C C 1.097 -0.048 -1.185 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . c25201_2mu7 1 . 1 . 134 . 1 1 9 LYS CA C 2.192 0.428 -2.179 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . c25201_2mu7 1 . 1 . 135 . 1 1 9 LYS CB C 2.754 -0.686 -3.078 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . c25201_2mu7 1 . 1 . 136 . 1 1 9 LYS CD C 1.105 -0.586 -5.090 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . c25201_2mu7 1 . 1 . 137 . 1 1 9 LYS CE C 0.143 -1.391 -5.982 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . c25201_2mu7 1 . 1 . 138 . 1 1 9 LYS CG C 1.759 -1.447 -3.988 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . c25201_2mu7 1 . 1 . 139 . 1 1 9 LYS H H 4.219 0.760 -1.450 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . c25201_2mu7 1 . 1 . 140 . 1 1 9 LYS HA H 1.723 1.139 -2.826 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . c25201_2mu7 1 . 1 . 141 . 1 1 9 LYS HB2 H 3.581 -0.304 -3.708 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 142 . 1 1 9 LYS HB3 H 3.205 -1.387 -2.378 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 143 . 1 1 9 LYS HD2 H 0.556 0.255 -4.624 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . c25201_2mu7 1 . 1 . 144 . 1 1 9 LYS HD3 H 1.897 -0.124 -5.711 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . c25201_2mu7 1 . 1 . 145 . 1 1 9 LYS HE2 H 0.678 -2.224 -6.475 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . c25201_2mu7 1 . 1 . 146 . 1 1 9 LYS HE3 H -0.655 -1.852 -5.371 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . c25201_2mu7 1 . 1 . 147 . 1 1 9 LYS HG2 H 2.298 -2.290 -4.459 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . c25201_2mu7 1 . 1 . 148 . 1 1 9 LYS HG3 H 0.975 -1.919 -3.366 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . c25201_2mu7 1 . 1 . 149 . 1 1 9 LYS HZ2 H -1.088 -1.103 -7.614 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . c25201_2mu7 1 . 1 . 150 . 1 1 9 LYS HZ3 H 0.247 -0.159 -7.635 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . c25201_2mu7 1 . 1 . 151 . 1 1 9 LYS N N 3.305 1.192 -1.559 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . c25201_2mu7 1 . 1 . 152 . 1 1 9 LYS NZ N -0.475 -0.539 -7.014 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . c25201_2mu7 1 . 1 . 153 . 1 1 9 LYS O O -0.093 0.008 -1.506 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . c25201_2mu7 1 . 1 . 154 . 1 1 10 MET C C -0.289 0.450 1.549 . . . 1.0 . . . . . . . . . . . . A . 10 MET C . . . . . . . . . c25201_2mu7 1 . 1 . 155 . 1 1 10 MET CA C 0.642 -0.760 1.169 . . . 1.0 . . . . . . . . . . . . A . 10 MET CA . . . . . . . . . c25201_2mu7 1 . 1 . 156 . 1 1 10 MET CB C 1.607 -1.157 2.321 . . . 1.0 . . . . . . . . . . . . A . 10 MET CB . . . . . . . . . c25201_2mu7 1 . 1 . 157 . 1 1 10 MET CE C -0.692 -3.546 4.862 . . . 1.0 . . . . . . . . . . . . A . 10 MET CE . . . . . . . . . c25201_2mu7 1 . 1 . 158 . 1 1 10 MET CG C 0.940 -1.689 3.600 . . . 1.0 . . . . . . . . . . . . A . 10 MET CG . . . . . . . . . c25201_2mu7 1 . 1 . 159 . 1 1 10 MET H H 2.526 -0.518 0.139 . . . 1.0 . . . . . . . . . . . . A . 10 MET H . . . . . . . . . c25201_2mu7 1 . 1 . 160 . 1 1 10 MET HA H 0.045 -1.640 0.898 . . . 1.0 . . . . . . . . . . . . A . 10 MET HA . . . . . . . . . c25201_2mu7 1 . 1 . 161 . 1 1 10 MET HB2 H 2.316 -1.934 1.969 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 162 . 1 1 10 MET HB3 H 2.255 -0.294 2.581 . . . 1.0 . . . . . . . . . . . . A . 10 MET HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 163 . 1 1 10 MET HE1 H 0.118 -3.712 5.596 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE1 . . . . . . . . . c25201_2mu7 1 . 1 . 164 . 1 1 10 MET HE2 H -1.313 -4.459 4.826 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE2 . . . . . . . . . c25201_2mu7 1 . 1 . 165 . 1 1 10 MET HE3 H -1.325 -2.716 5.226 . . . 1.0 . . . . . . . . . . . . A . 10 MET HE3 . . . . . . . . . c25201_2mu7 1 . 1 . 166 . 1 1 10 MET HG2 H 1.709 -1.930 4.357 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG2 . . . . . . . . . c25201_2mu7 1 . 1 . 167 . 1 1 10 MET HG3 H 0.284 -0.923 4.053 . . . 1.0 . . . . . . . . . . . . A . 10 MET HG3 . . . . . . . . . c25201_2mu7 1 . 1 . 168 . 1 1 10 MET N N 1.519 -0.485 0.015 . . . 1.0 . . . . . . . . . . . . A . 10 MET N . . . . . . . . . c25201_2mu7 1 . 1 . 169 . 1 1 10 MET O O -1.419 0.220 1.984 . . . 1.0 . . . . . . . . . . . . A . 10 MET O . . . . . . . . . c25201_2mu7 1 . 1 . 170 . 1 1 10 MET SD S -0.018 -3.175 3.231 . . . 1.0 . . . . . . . . . . . . A . 10 MET SD . . . . . . . . . c25201_2mu7 1 . 1 . 171 . 1 1 11 VAL C C -1.757 3.130 0.568 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c25201_2mu7 1 . 1 . 172 . 1 1 11 VAL CA C -0.591 2.951 1.597 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c25201_2mu7 1 . 1 . 173 . 1 1 11 VAL CB C 0.325 4.225 1.722 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c25201_2mu7 1 . 1 . 174 . 1 1 11 VAL CG1 C -0.461 5.492 2.141 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c25201_2mu7 1 . 1 . 175 . 1 1 11 VAL CG2 C 1.510 4.076 2.708 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c25201_2mu7 1 . 1 . 176 . 1 1 11 VAL H H 1.016 1.742 0.746 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c25201_2mu7 1 . 1 . 177 . 1 1 11 VAL HA H -1.030 2.786 2.578 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c25201_2mu7 1 . 1 . 178 . 1 1 11 VAL HB H 0.761 4.432 0.727 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c25201_2mu7 1 . 1 . 179 . 1 1 11 VAL HG11 H 0.190 6.384 2.201 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c25201_2mu7 1 . 1 . 180 . 1 1 11 VAL HG12 H -1.258 5.741 1.416 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c25201_2mu7 1 . 1 . 181 . 1 1 11 VAL HG13 H -0.947 5.369 3.128 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c25201_2mu7 1 . 1 . 182 . 1 1 11 VAL HG21 H 2.146 4.980 2.729 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c25201_2mu7 1 . 1 . 183 . 1 1 11 VAL HG22 H 1.171 3.881 3.743 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c25201_2mu7 1 . 1 . 184 . 1 1 11 VAL HG23 H 2.175 3.243 2.422 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c25201_2mu7 1 . 1 . 185 . 1 1 11 VAL N N 0.184 1.709 1.347 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c25201_2mu7 1 . 1 . 186 . 1 1 11 VAL O O -2.906 3.318 0.977 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c25201_2mu7 1 . 1 . 187 . 1 1 12 LEU C C -3.610 2.133 -1.794 . . . 1.0 . . . . . . . . . . . . A . 12 LEU C . . . . . . . . . c25201_2mu7 1 . 1 . 188 . 1 1 12 LEU CA C -2.450 3.175 -1.843 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CA . . . . . . . . . c25201_2mu7 1 . 1 . 189 . 1 1 12 LEU CB C -1.726 3.149 -3.228 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CB . . . . . . . . . c25201_2mu7 1 . 1 . 190 . 1 1 12 LEU CD1 C -2.429 5.419 -4.246 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD1 . . . . . . . . . c25201_2mu7 1 . 1 . 191 . 1 1 12 LEU CD2 C -1.873 3.473 -5.755 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CD2 . . . . . . . . . c25201_2mu7 1 . 1 . 192 . 1 1 12 LEU CG C -2.459 3.883 -4.388 . . . 1.0 . . . . . . . . . . . . A . 12 LEU CG . . . . . . . . . c25201_2mu7 1 . 1 . 193 . 1 1 12 LEU H H -0.450 3.040 -0.933 . . . 1.0 . . . . . . . . . . . . A . 12 LEU H . . . . . . . . . c25201_2mu7 1 . 1 . 194 . 1 1 12 LEU HA H -2.889 4.176 -1.704 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HA . . . . . . . . . c25201_2mu7 1 . 1 . 195 . 1 1 12 LEU HB2 H -0.703 3.545 -3.122 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 196 . 1 1 12 LEU HB3 H -1.535 2.106 -3.542 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 197 . 1 1 12 LEU HD11 H -1.397 5.815 -4.235 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD11 . . . . . . . . . c25201_2mu7 1 . 1 . 198 . 1 1 12 LEU HD12 H -2.919 5.759 -3.316 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD12 . . . . . . . . . c25201_2mu7 1 . 1 . 199 . 1 1 12 LEU HD13 H -2.962 5.916 -5.078 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD13 . . . . . . . . . c25201_2mu7 1 . 1 . 200 . 1 1 12 LEU HD21 H -1.940 2.381 -5.914 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD21 . . . . . . . . . c25201_2mu7 1 . 1 . 201 . 1 1 12 LEU HD22 H -2.418 3.948 -6.592 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD22 . . . . . . . . . c25201_2mu7 1 . 1 . 202 . 1 1 12 LEU HD23 H -0.808 3.754 -5.854 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HD23 . . . . . . . . . c25201_2mu7 1 . 1 . 203 . 1 1 12 LEU HG H -3.519 3.564 -4.387 . . . 1.0 . . . . . . . . . . . . A . 12 LEU HG . . . . . . . . . c25201_2mu7 1 . 1 . 204 . 1 1 12 LEU N N -1.452 3.069 -0.746 . . . 1.0 . . . . . . . . . . . . A . 12 LEU N . . . . . . . . . c25201_2mu7 1 . 1 . 205 . 1 1 12 LEU O O -4.774 2.523 -1.900 . . . 1.0 . . . . . . . . . . . . A . 12 LEU O . . . . . . . . . c25201_2mu7 1 . 1 . 206 . 1 1 13 ASN C C -5.224 -0.211 -0.311 . . . 1.0 . . . . . . . . . . . . A . 13 ASN C . . . . . . . . . c25201_2mu7 1 . 1 . 207 . 1 1 13 ASN CA C -4.268 -0.267 -1.545 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CA . . . . . . . . . c25201_2mu7 1 . 1 . 208 . 1 1 13 ASN CB C -3.575 -1.650 -1.720 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CB . . . . . . . . . c25201_2mu7 1 . 1 . 209 . 1 1 13 ASN CG C -4.531 -2.830 -1.994 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CG . . . . . . . . . c25201_2mu7 1 . 1 . 210 . 1 1 13 ASN H H -2.278 0.686 -1.499 . . . 1.0 . . . . . . . . . . . . A . 13 ASN H . . . . . . . . . c25201_2mu7 1 . 1 . 211 . 1 1 13 ASN HA H -4.874 -0.124 -2.439 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HA . . . . . . . . . c25201_2mu7 1 . 1 . 212 . 1 1 13 ASN HB2 H -2.880 -1.631 -2.583 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 213 . 1 1 13 ASN HB3 H -2.933 -1.860 -0.845 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 214 . 1 1 13 ASN HD21 H -4.340 -3.471 -0.103 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HD21 . . . . . . . . . c25201_2mu7 1 . 1 . 215 . 1 1 13 ASN HD22 H -5.426 -4.447 -1.214 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HD22 . . . . . . . . . c25201_2mu7 1 . 1 . 216 . 1 1 13 ASN N N -3.279 0.837 -1.614 . . . 1.0 . . . . . . . . . . . . A . 13 ASN N . . . . . . . . . c25201_2mu7 1 . 1 . 217 . 1 1 13 ASN ND2 N -4.793 -3.668 -1.002 . . . 1.0 . . . . . . . . . . . . A . 13 ASN ND2 . . . . . . . . . c25201_2mu7 1 . 1 . 218 . 1 1 13 ASN O O -6.433 -0.380 -0.486 . . . 1.0 . . . . . . . . . . . . A . 13 ASN O . . . . . . . . . c25201_2mu7 1 . 1 . 219 . 1 1 13 ASN OD1 O -5.036 -2.998 -3.104 . . . 1.0 . . . . . . . . . . . . A . 13 ASN OD1 . . . . . . . . . c25201_2mu7 1 . 1 . 220 . 1 1 14 GLU C C -6.536 1.338 2.174 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c25201_2mu7 1 . 1 . 221 . 1 1 14 GLU CA C -5.523 0.143 2.145 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c25201_2mu7 1 . 1 . 222 . 1 1 14 GLU CB C -4.598 0.106 3.430 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c25201_2mu7 1 . 1 . 223 . 1 1 14 GLU CD C -2.981 1.258 5.071 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c25201_2mu7 1 . 1 . 224 . 1 1 14 GLU CG C -3.857 1.411 3.824 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c25201_2mu7 1 . 1 . 225 . 1 1 14 GLU H H -3.699 0.169 0.920 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c25201_2mu7 1 . 1 . 226 . 1 1 14 GLU HA H -6.152 -0.769 2.091 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c25201_2mu7 1 . 1 . 227 . 1 1 14 GLU HB2 H -5.184 -0.192 4.323 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 228 . 1 1 14 GLU HB3 H -3.829 -0.694 3.360 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 229 . 1 1 14 GLU HE2 H -1.554 0.828 3.819 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HE2 . . . . . . . . . c25201_2mu7 1 . 1 . 230 . 1 1 14 GLU HG2 H -3.242 1.784 2.990 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c25201_2mu7 1 . 1 . 231 . 1 1 14 GLU HG3 H -4.590 2.215 4.020 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c25201_2mu7 1 . 1 . 232 . 1 1 14 GLU N N -4.702 0.021 0.912 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c25201_2mu7 1 . 1 . 233 . 1 1 14 GLU O O -7.624 1.187 2.739 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c25201_2mu7 1 . 1 . 234 . 1 1 14 GLU OE1 O -3.401 1.427 6.216 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c25201_2mu7 1 . 1 . 235 . 1 1 14 GLU OE2 O -1.689 0.916 4.766 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c25201_2mu7 1 . 1 . 236 . 1 1 15 GLY C C -7.949 3.776 0.299 . . . 1.0 . . . . . . . . . . . . A . 15 GLY C . . . . . . . . . c25201_2mu7 1 . 1 . 237 . 1 1 15 GLY CA C -7.046 3.690 1.545 . . . 1.0 . . . . . . . . . . . . A . 15 GLY CA . . . . . . . . . c25201_2mu7 1 . 1 . 238 . 1 1 15 GLY H H -5.253 2.456 1.130 . . . 1.0 . . . . . . . . . . . . A . 15 GLY H . . . . . . . . . c25201_2mu7 1 . 1 . 239 . 1 1 15 GLY HA2 H -7.677 3.744 2.453 . . . 1.0 . . . . . . . . . . . . A . 15 GLY HA2 . . . . . . . . . c25201_2mu7 1 . 1 . 240 . 1 1 15 GLY HA3 H -6.398 4.585 1.619 . . . 1.0 . . . . . . . . . . . . A . 15 GLY HA3 . . . . . . . . . c25201_2mu7 1 . 1 . 241 . 1 1 15 GLY N N -6.180 2.493 1.575 . . . 1.0 . . . . . . . . . . . . A . 15 GLY N . . . . . . . . . c25201_2mu7 1 . 1 . 242 . 1 1 15 GLY O O -9.054 3.227 0.299 . . . 1.0 . . . . . . . . . . . . A . 15 GLY O . . . . . . . . . c25201_2mu7 1 . 1 . 243 . 1 1 16 THR C C -8.512 3.474 -2.923 . . . 1.0 . . . . . . . . . . . . A . 16 THR C . . . . . . . . . c25201_2mu7 1 . 1 . 244 . 1 1 16 THR CA C -8.231 4.709 -2.006 . . . 1.0 . . . . . . . . . . . . A . 16 THR CA . . . . . . . . . c25201_2mu7 1 . 1 . 245 . 1 1 16 THR CB C -7.606 5.924 -2.766 . . . 1.0 . . . . . . . . . . . . A . 16 THR CB . . . . . . . . . c25201_2mu7 1 . 1 . 246 . 1 1 16 THR CG2 C -6.195 5.730 -3.361 . . . 1.0 . . . . . . . . . . . . A . 16 THR CG2 . . . . . . . . . c25201_2mu7 1 . 1 . 247 . 1 1 16 THR H H -6.530 4.868 -0.600 . . . 1.0 . . . . . . . . . . . . A . 16 THR H . . . . . . . . . c25201_2mu7 1 . 1 . 248 . 1 1 16 THR HA H -9.230 5.054 -1.684 . . . 1.0 . . . . . . . . . . . . A . 16 THR HA . . . . . . . . . c25201_2mu7 1 . 1 . 249 . 1 1 16 THR HB H -7.548 6.777 -2.063 . . . 1.0 . . . . . . . . . . . . A . 16 THR HB . . . . . . . . . c25201_2mu7 1 . 1 . 250 . 1 1 16 THR HG1 H -8.515 5.582 -4.428 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG1 . . . . . . . . . c25201_2mu7 1 . 1 . 251 . 1 1 16 THR HG21 H -6.180 4.961 -4.154 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG21 . . . . . . . . . c25201_2mu7 1 . 1 . 252 . 1 1 16 THR HG22 H -5.820 6.667 -3.813 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG22 . . . . . . . . . c25201_2mu7 1 . 1 . 253 . 1 1 16 THR HG23 H -5.462 5.427 -2.592 . . . 1.0 . . . . . . . . . . . . A . 16 THR HG23 . . . . . . . . . c25201_2mu7 1 . 1 . 254 . 1 1 16 THR N N -7.464 4.469 -0.747 . . . 1.0 . . . . . . . . . . . . A . 16 THR N . . . . . . . . . c25201_2mu7 1 . 1 . 255 . 1 1 16 THR O O -9.646 3.325 -3.389 . . . 1.0 . . . . . . . . . . . . A . 16 THR O . . . . . . . . . c25201_2mu7 1 . 1 . 256 . 1 1 16 THR OG1 O -8.476 6.324 -3.821 . . . 1.0 . . . . . . . . . . . . A . 16 THR OG1 . . . . . . . . . c25201_2mu7 1 . 1 . 257 . 1 1 17 SER C C -7.965 0.124 -3.286 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . c25201_2mu7 1 . 1 . 258 . 1 1 17 SER CA C -7.642 1.433 -4.074 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . c25201_2mu7 1 . 1 . 259 . 1 1 17 SER CB C -6.358 1.320 -4.936 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . c25201_2mu7 1 . 1 . 260 . 1 1 17 SER H H -6.635 2.864 -2.702 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . c25201_2mu7 1 . 1 . 261 . 1 1 17 SER HA H -8.470 1.594 -4.793 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . c25201_2mu7 1 . 1 . 262 . 1 1 17 SER HB2 H -5.463 1.157 -4.305 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 263 . 1 1 17 SER HB3 H -6.421 0.440 -5.602 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 264 . 1 1 17 SER HG H -6.060 3.211 -5.130 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . c25201_2mu7 1 . 1 . 265 . 1 1 17 SER N N -7.505 2.621 -3.183 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . c25201_2mu7 1 . 1 . 266 . 1 1 17 SER O O -7.199 -0.846 -3.297 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . c25201_2mu7 1 . 1 . 267 . 1 1 17 SER OG O -6.156 2.477 -5.742 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . c25201_2mu7 1 . 1 . 268 . 1 1 18 GLY C C -10.939 -0.758 -1.161 . . . 1.0 . . . . . . . . . . . . A . 18 GLY C . . . . . . . . . c25201_2mu7 1 . 1 . 269 . 1 1 18 GLY CA C -9.593 -1.060 -1.838 . . . 1.0 . . . . . . . . . . . . A . 18 GLY CA . . . . . . . . . c25201_2mu7 1 . 1 . 270 . 1 1 18 GLY H H -9.623 1.003 -2.585 . . . 1.0 . . . . . . . . . . . . A . 18 GLY H . . . . . . . . . c25201_2mu7 1 . 1 . 271 . 1 1 18 GLY HA2 H -9.696 -1.946 -2.493 . . . 1.0 . . . . . . . . . . . . A . 18 GLY HA2 . . . . . . . . . c25201_2mu7 1 . 1 . 272 . 1 1 18 GLY HA3 H -8.833 -1.334 -1.080 . . . 1.0 . . . . . . . . . . . . A . 18 GLY HA3 . . . . . . . . . c25201_2mu7 1 . 1 . 273 . 1 1 18 GLY N N -9.141 0.099 -2.635 . . . 1.0 . . . . . . . . . . . . A . 18 GLY N . . . . . . . . . c25201_2mu7 1 . 1 . 274 . 1 1 18 GLY O O -11.971 -1.271 -1.600 . . . 1.0 . . . . . . . . . . . . A . 18 GLY O . . . . . . . . . c25201_2mu7 1 . 1 . 275 . 1 1 19 THR C C -12.918 -0.629 1.321 . . . 1.0 . . . . . . . . . . . . A . 19 THR C . . . . . . . . . c25201_2mu7 1 . 1 . 276 . 1 1 19 THR CA C -12.091 0.535 0.683 . . . 1.0 . . . . . . . . . . . . A . 19 THR CA . . . . . . . . . c25201_2mu7 1 . 1 . 277 . 1 1 19 THR CB C -12.989 1.575 -0.068 . . . 1.0 . . . . . . . . . . . . A . 19 THR CB . . . . . . . . . c25201_2mu7 1 . 1 . 278 . 1 1 19 THR CG2 C -12.264 2.868 -0.486 . . . 1.0 . . . . . . . . . . . . A . 19 THR CG2 . . . . . . . . . c25201_2mu7 1 . 1 . 279 . 1 1 19 THR H H -9.968 0.463 0.075 . . . 1.0 . . . . . . . . . . . . A . 19 THR H . . . . . . . . . c25201_2mu7 1 . 1 . 280 . 1 1 19 THR HA H -11.657 1.111 1.525 . . . 1.0 . . . . . . . . . . . . A . 19 THR HA . . . . . . . . . c25201_2mu7 1 . 1 . 281 . 1 1 19 THR HB H -13.802 1.878 0.619 . . . 1.0 . . . . . . . . . . . . A . 19 THR HB . . . . . . . . . c25201_2mu7 1 . 1 . 282 . 1 1 19 THR HG1 H -14.103 0.255 -0.916 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG1 . . . . . . . . . c25201_2mu7 1 . 1 . 283 . 1 1 19 THR HG21 H -11.447 2.670 -1.205 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG21 . . . . . . . . . c25201_2mu7 1 . 1 . 284 . 1 1 19 THR HG22 H -12.959 3.578 -0.970 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG22 . . . . . . . . . c25201_2mu7 1 . 1 . 285 . 1 1 19 THR HG23 H -11.824 3.386 0.385 . . . 1.0 . . . . . . . . . . . . A . 19 THR HG23 . . . . . . . . . c25201_2mu7 1 . 1 . 286 . 1 1 19 THR N N -10.898 0.064 -0.090 . . . 1.0 . . . . . . . . . . . . A . 19 THR N . . . . . . . . . c25201_2mu7 1 . 1 . 287 . 1 1 19 THR O O -13.811 -1.192 0.677 . . . 1.0 . . . . . . . . . . . . A . 19 THR O . . . . . . . . . c25201_2mu7 1 . 1 . 288 . 1 1 19 THR OG1 O -13.600 1.012 -1.225 . . . 1.0 . . . . . . . . . . . . A . 19 THR OG1 . . . . . . . . . c25201_2mu7 1 . 1 . 289 . 1 1 20 ALA C C -14.436 -1.479 4.208 . . . 1.0 . . . . . . . . . . . . A . 20 ALA C . . . . . . . . . c25201_2mu7 1 . 1 . 290 . 1 1 20 ALA CA C -13.303 -2.061 3.325 . . . 1.0 . . . . . . . . . . . . A . 20 ALA CA . . . . . . . . . c25201_2mu7 1 . 1 . 291 . 1 1 20 ALA CB C -12.270 -2.832 4.170 . . . 1.0 . . . . . . . . . . . . A . 20 ALA CB . . . . . . . . . c25201_2mu7 1 . 1 . 292 . 1 1 20 ALA H H -11.851 -0.428 3.011 . . . 1.0 . . . . . . . . . . . . A . 20 ALA H . . . . . . . . . c25201_2mu7 1 . 1 . 293 . 1 1 20 ALA HA H -13.719 -2.800 2.609 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HA . . . . . . . . . c25201_2mu7 1 . 1 . 294 . 1 1 20 ALA HB1 H -11.479 -3.280 3.541 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB1 . . . . . . . . . c25201_2mu7 1 . 1 . 295 . 1 1 20 ALA HB2 H -12.743 -3.665 4.723 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB2 . . . . . . . . . c25201_2mu7 1 . 1 . 296 . 1 1 20 ALA HB3 H -11.769 -2.188 4.918 . . . 1.0 . . . . . . . . . . . . A . 20 ALA HB3 . . . . . . . . . c25201_2mu7 1 . 1 . 297 . 1 1 20 ALA N N -12.608 -0.975 2.586 . . . 1.0 . . . . . . . . . . . . A . 20 ALA N . . . . . . . . . c25201_2mu7 1 . 1 . 298 . 1 1 20 ALA O O -14.205 -0.741 5.169 . . . 1.0 . . . . . . . . . . . . A . 20 ALA O . . . . . . . . . c25201_2mu7 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c25201_2mu7 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 2mu7.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25201_2mu7 1 1 2mu7.mr . . DISCOVER 2 stereochemistry prochirality 'Not applicable' 0 c25201_2mu7 1 1 2mu7.mr . . DISCOVER 3 distance 'hydrogen bond' simple 5 c25201_2mu7 1 1 2mu7.mr . . DISCOVER 4 distance NOE simple 130 c25201_2mu7 1 1 2mu7.mr . . 'MR format' 5 comment 'Not applicable' 'Not applicable' 0 c25201_2mu7 1 1 2mu7.mr . . DISCOVER 6 'dihedral angle' 'Not applicable' 'Not applicable' 19 c25201_2mu7 1 1 2mu7.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25201_2mu7 1 stop_ save_ save_Discover_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c25201_2mu7 _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c25201_2mu7 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HA H . . . . . 2.7 1.8 2.7 . . . . . A . 5 PHE H . . A . 5 PHE HA . 1 . 5 PHE HN . . . 1 . 5 PHE HA . . c25201_2mu7 1 2 1 . . 1 1 1 1 GLY HA3 H . . . 1 1 2 2 TYR H H . . . . . 3.5 2.7 3.5 . . . . . A . 1 GLY HA3 . . A . 2 TYR H . 1 . 1 GLY HAS . . . 1 . 2 TYR HN . . c25201_2mu7 1 3 1 . . 1 1 11 11 VAL H H . . . 1 1 11 11 VAL HA H . . . . . 2.7 1.8 2.7 . . . . . A . 11 VAL H . . A . 11 VAL HA . 1 . 11 VAL HN . . . 1 . 11 VAL HA . . c25201_2mu7 1 4 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HA H . . . . . 2.7 1.8 2.7 . . . . . A . 4 LEU H . . A . 3 SER HA . 1 . 4 LEU HN . . . 1 . 3 SER HA . . c25201_2mu7 1 5 1 . . 1 1 19 19 THR H H . . . 1 1 19 19 THR HA H . . . . . 2.7 1.8 2.7 . . . . . A . 19 THR H . . A . 19 THR HA . 1 . 19 THR HN . . . 1 . 19 THR HA . . c25201_2mu7 1 6 1 . . 1 1 3 3 SER HA H . . . 1 1 3 3 SER H H . . . . . 2.7 1.8 2.7 . . . . . A . 3 SER HA . . A . 3 SER H . 1 . 3 SER HA . . . 1 . 3 SER HN . . c25201_2mu7 1 7 1 OR . 1 1 18 18 GLY H H . . . 1 1 18 18 GLY HA2 H . . . . . 2.7 1.8 3.7 . . . . . A . 18 GLY H . . A . 18 GLY HA2 . 1 . 18 GLY HN . . . 1 . 18 GLY HA* . . c25201_2mu7 1 7 2 OR . 1 1 18 18 GLY H H . . . 1 1 18 18 GLY HA3 H . . . . . 2.7 1.8 3.7 . . . . . A . 18 GLY H . . A . 18 GLY HA3 . 1 . 18 GLY HN . . . 1 . 18 GLY HA* . . c25201_2mu7 1 8 1 OR . 1 1 3 3 SER H H . . . 1 1 3 3 SER HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 3 SER H . . A . 3 SER HB2 . 1 . 3 SER HN . . . 1 . 3 SER HB* . . c25201_2mu7 1 8 2 OR . 1 1 3 3 SER H H . . . 1 1 3 3 SER HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 3 SER H . . A . 3 SER HB3 . 1 . 3 SER HN . . . 1 . 3 SER HB* . . c25201_2mu7 1 9 1 . . 1 1 8 8 GLU H H . . . 1 1 8 8 GLU HA H . . . . . 3.5 2.7 3.5 . . . . . A . 8 GLU H . . A . 8 GLU HA . 1 . 8 GLU- HN . . . 1 . 8 GLU- HA . . c25201_2mu7 1 10 1 . . 1 1 8 8 GLU H H . . . 1 1 8 8 GLU HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 8 GLU H . . A . 8 GLU HB2 . 1 . 8 GLU- HN . . . 1 . 8 GLU- HBR . . c25201_2mu7 1 11 1 . . 1 1 15 15 GLY H H . . . 1 1 14 14 GLU HA H . . . . . 3.5 2.7 3.5 . . . . . A . 15 GLY H . . A . 14 GLU HA . 1 . 15 GLY HN . . . 1 . 14 GLU- HA . . c25201_2mu7 1 12 1 . . 1 1 17 17 SER H H . . . 1 1 13 13 ASN HA H . . . . . 5.0 3.5 5.0 . . . . . A . 17 SER H . . A . 13 ASN HA . 1 . 17 SER HN . . . 1 . 13 ASN HA . . c25201_2mu7 1 13 1 . . 1 1 17 17 SER H H . . . 1 1 17 17 SER HA H . . . . . 3.5 2.7 3.5 . . . . . A . 17 SER H . . A . 17 SER HA . 1 . 17 SER HN . . . 1 . 17 SER HA . . c25201_2mu7 1 14 1 . . 1 1 17 17 SER H H . . . 1 1 16 16 THR HA H . . . . . 3.5 2.7 3.5 . . . . . A . 17 SER H . . A . 16 THR HA . 1 . 17 SER HN . . . 1 . 16 THR HA . . c25201_2mu7 1 15 1 . . 1 1 13 13 ASN HA H . . . 1 1 14 14 GLU H H . . . . . 3.5 2.7 3.5 . . . . . A . 13 ASN HA . . A . 14 GLU H . 1 . 13 ASN HA . . . 1 . 14 GLU- HN . . c25201_2mu7 1 16 1 . . 1 1 13 13 ASN HA H . . . 1 1 13 13 ASN H H . . . . . 2.7 1.8 2.7 . . . . . A . 13 ASN HA . . A . 13 ASN H . 1 . 13 ASN HA . . . 1 . 13 ASN HN . . c25201_2mu7 1 17 1 . . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU H H . . . . . 2.7 1.8 2.7 . . . . . A . 14 GLU HA . . A . 14 GLU H . 1 . 14 GLU- HA . . . 1 . 14 GLU- HN . . c25201_2mu7 1 18 1 . . 1 1 16 16 THR HA H . . . 1 1 16 16 THR H H . . . . . 3.5 2.7 3.5 . . . . . A . 16 THR HA . . A . 16 THR H . 1 . 16 THR HA . . . 1 . 16 THR HN . . c25201_2mu7 1 19 1 . . 1 1 10 10 MET H H . . . 1 1 10 10 MET HA H . . . . . 2.7 1.8 2.7 . . . . . A . 10 MET H . . A . 10 MET HA . 1 . 10 MET HN . . . 1 . 10 MET HA . . c25201_2mu7 1 20 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HA H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU H . . A . 4 LEU HA . 1 . 4 LEU HN . . . 1 . 4 LEU HA . . c25201_2mu7 1 21 1 . . 1 1 4 4 LEU H H . . . 1 1 7 7 LYS HA H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU H . . A . 7 LYS HA . 1 . 4 LEU HN . . . 1 . 7 LYS+ HA . . c25201_2mu7 1 22 1 . . 1 1 10 10 MET H H . . . 1 1 9 9 LYS HA H . . . . . 3.5 2.7 3.5 . . . . . A . 10 MET H . . A . 9 LYS HA . 1 . 10 MET HN . . . 1 . 9 LYS+ HA . . c25201_2mu7 1 23 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 LEU HA H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE H . . A . 4 LEU HA . 1 . 5 PHE HN . . . 1 . 4 LEU HA . . c25201_2mu7 1 24 1 . . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS H H . . . . . 3.5 2.7 3.5 . . . . . A . 7 LYS HA . . A . 7 LYS H . 1 . 7 LYS+ HA . . . 1 . 7 LYS+ HN . . c25201_2mu7 1 25 1 . . 1 1 11 11 VAL H H . . . 1 1 9 9 LYS HA H . . . . . 3.5 2.7 3.5 . . . . . A . 11 VAL H . . A . 9 LYS HA . 1 . 11 VAL HN . . . 1 . 9 LYS+ HA . . c25201_2mu7 1 26 1 . . 1 1 11 11 VAL H H . . . 1 1 8 8 GLU HA H . . . . . 3.5 2.7 3.5 . . . . . A . 11 VAL H . . A . 8 GLU HA . 1 . 11 VAL HN . . . 1 . 8 GLU- HA . . c25201_2mu7 1 27 1 . . 1 1 2 2 TYR H H . . . 1 1 1 1 GLY HA2 H . . . . . 2.7 1.8 2.7 . . . . . A . 2 TYR H . . A . 1 GLY HA2 . 1 . 2 TYR HN . . . 1 . 1 GLY HAR . . c25201_2mu7 1 28 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HA H . . . . . 3.5 2.7 3.5 . . . . . A . 6 GLN H . . A . 6 GLN HA . 1 . 6 GLN HN . . . 1 . 6 GLN HA . . c25201_2mu7 1 29 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS H H . . . . . 2.7 1.8 2.7 . . . . . A . 9 LYS HA . . A . 9 LYS H . 1 . 9 LYS+ HA . . . 1 . 9 LYS+ HN . . c25201_2mu7 1 30 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HA H . . . . . 2.7 1.8 2.7 . . . . . A . 12 LEU H . . A . 12 LEU HA . 1 . 12 LEU HN . . . 1 . 12 LEU HA . . c25201_2mu7 1 31 1 . . 1 1 20 20 ALA H H . . . 1 1 20 20 ALA HA H . . . . . 3.5 2.7 3.5 . . . . . A . 20 ALA H . . A . 20 ALA HA . 1 . 20 ALA HN . . . 1 . 20 ALA HA . . c25201_2mu7 1 32 1 . . 1 1 8 8 GLU HA H . . . 1 1 9 9 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 8 GLU HA . . A . 9 LYS H . 1 . 8 GLU- HA . . . 1 . 9 LYS+ HN . . c25201_2mu7 1 33 1 OR . 1 1 16 16 THR H H . . . 1 1 15 15 GLY HA2 H . . . . . 3.5 2.7 4.5 . . . . . A . 16 THR H . . A . 15 GLY HA2 . 1 . 16 THR HN . . . 1 . 15 GLY HA* . . c25201_2mu7 1 33 2 OR . 1 1 16 16 THR H H . . . 1 1 15 15 GLY HA3 H . . . . . 3.5 2.7 4.5 . . . . . A . 16 THR H . . A . 15 GLY HA3 . 1 . 16 THR HN . . . 1 . 15 GLY HA* . . c25201_2mu7 1 34 1 OR . 1 1 19 19 THR H H . . . 1 1 18 18 GLY HA2 H . . . . . 3.5 2.7 4.5 . . . . . A . 19 THR H . . A . 18 GLY HA2 . 1 . 19 THR HN . . . 1 . 18 GLY HA* . . c25201_2mu7 1 34 2 OR . 1 1 19 19 THR H H . . . 1 1 18 18 GLY HA3 H . . . . . 3.5 2.7 4.5 . . . . . A . 19 THR H . . A . 18 GLY HA3 . 1 . 19 THR HN . . . 1 . 18 GLY HA* . . c25201_2mu7 1 35 1 OR . 1 1 17 17 SER H H . . . 1 1 17 17 SER HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 17 SER H . . A . 17 SER HB2 . 1 . 17 SER HN . . . 1 . 17 SER HB* . . c25201_2mu7 1 35 2 OR . 1 1 17 17 SER H H . . . 1 1 17 17 SER HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 17 SER H . . A . 17 SER HB3 . 1 . 17 SER HN . . . 1 . 17 SER HB* . . c25201_2mu7 1 36 1 . . 1 1 2 2 TYR H H . . . 1 1 2 2 TYR HA H . . . . . 2.7 1.8 2.7 . . . . . A . 2 TYR H . . A . 2 TYR HA . 1 . 2 TYR HN . . . 1 . 2 TYR HA . . c25201_2mu7 1 37 1 . . 1 1 5 5 PHE H H . . . 1 1 2 2 TYR HA H . . . . . 5.0 3.5 5.0 . . . . . A . 5 PHE H . . A . 2 TYR HA . 1 . 5 PHE HN . . . 1 . 2 TYR HA . . c25201_2mu7 1 38 1 . . 1 1 4 4 LEU HA H . . . 1 1 7 7 LYS H H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU HA . . A . 7 LYS H . 1 . 4 LEU HA . . . 1 . 7 LYS+ HN . . c25201_2mu7 1 39 1 . . 1 1 11 11 VAL HA H . . . 1 1 12 12 LEU H H . . . . . 3.5 2.7 3.5 . . . . . A . 11 VAL HA . . A . 12 LEU H . 1 . 11 VAL HA . . . 1 . 12 LEU HN . . c25201_2mu7 1 40 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 GLN HA H . . . . . 3.5 2.7 3.5 . . . . . A . 7 LYS H . . A . 6 GLN HA . 1 . 7 LYS+ HN . . . 1 . 6 GLN HA . . c25201_2mu7 1 41 1 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 4 LEU H . . A . 3 SER HB2 . 1 . 4 LEU HN . . . 1 . 3 SER HB* . . c25201_2mu7 1 41 2 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 SER HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 4 LEU H . . A . 3 SER HB3 . 1 . 4 LEU HN . . . 1 . 3 SER HB* . . c25201_2mu7 1 42 1 . . 1 1 8 8 GLU H H . . . 1 1 4 4 LEU HA H . . . . . 5.0 3.5 5.0 . . . . . A . 8 GLU H . . A . 4 LEU HA . 1 . 8 GLU- HN . . . 1 . 4 LEU HA . . c25201_2mu7 1 43 1 . . 1 1 15 15 GLY H H . . . 1 1 12 12 LEU HA H . . . . . 5.0 3.5 5.0 . . . . . A . 15 GLY H . . A . 12 LEU HA . 1 . 15 GLY HN . . . 1 . 12 LEU HA . . c25201_2mu7 1 44 1 . . 1 1 5 5 PHE HA H . . . 1 1 8 8 GLU H H . . . . . 5.0 3.5 5.0 . . . . . A . 5 PHE HA . . A . 8 GLU H . 1 . 5 PHE HA . . . 1 . 8 GLU- HN . . c25201_2mu7 1 45 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 TYR HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 3 SER H . . A . 2 TYR HB3 . 1 . 3 SER HN . . . 1 . 2 TYR HBS . . c25201_2mu7 1 46 1 . . 1 1 3 3 SER H H . . . 1 1 2 2 TYR HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 3 SER H . . A . 2 TYR HB2 . 1 . 3 SER HN . . . 1 . 2 TYR HBR . . c25201_2mu7 1 47 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE H . . A . 5 PHE HB3 . 1 . 5 PHE HN . . . 1 . 5 PHE HBS . . c25201_2mu7 1 48 1 . . 1 1 5 5 PHE H H . . . 1 1 5 5 PHE HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE H . . A . 5 PHE HB2 . 1 . 5 PHE HN . . . 1 . 5 PHE HBR . . c25201_2mu7 1 49 1 . . 1 1 6 6 GLN H H . . . 1 1 5 5 PHE HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 6 GLN H . . A . 5 PHE HB2 . 1 . 6 GLN HN . . . 1 . 5 PHE HBR . . c25201_2mu7 1 50 1 . . 1 1 2 2 TYR H H . . . 1 1 2 2 TYR HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 2 TYR H . . A . 2 TYR HB2 . 1 . 2 TYR HN . . . 1 . 2 TYR HBR . . c25201_2mu7 1 51 1 . . 1 1 2 2 TYR H H . . . 1 1 2 2 TYR HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 2 TYR H . . A . 2 TYR HB3 . 1 . 2 TYR HN . . . 1 . 2 TYR HBS . . c25201_2mu7 1 52 1 . . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 13 ASN H . . A . 13 ASN HB3 . 1 . 13 ASN HN . . . 1 . 13 ASN HBR . . c25201_2mu7 1 53 1 . . 1 1 14 14 GLU H H . . . 1 1 13 13 ASN HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 14 GLU H . . A . 13 ASN HB3 . 1 . 14 GLU- HN . . . 1 . 13 ASN HBR . . c25201_2mu7 1 54 1 . . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 13 ASN H . . A . 13 ASN HB2 . 1 . 13 ASN HN . . . 1 . 13 ASN HBS . . c25201_2mu7 1 55 1 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB2 H . . . . . 2.7 1.8 3.7 . . . . . A . 14 GLU H . . A . 14 GLU HB2 . 1 . 14 GLU- HN . . . 1 . 14 GLU HB* . . c25201_2mu7 1 55 2 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB3 H . . . . . 2.7 1.8 3.7 . . . . . A . 14 GLU H . . A . 14 GLU HB3 . 1 . 14 GLU- HN . . . 1 . 14 GLU HB* . . c25201_2mu7 1 56 1 . . 1 1 8 8 GLU H H . . . 1 1 8 8 GLU HG2 H . . . . . 3.5 2.7 3.5 . . . . . A . 8 GLU H . . A . 8 GLU HG2 . 1 . 8 GLU- HN . . . 1 . 8 GLU- HGS . . c25201_2mu7 1 57 1 . . 1 1 8 8 GLU H H . . . 1 1 8 8 GLU HG3 H . . . . . 3.5 2.7 3.5 . . . . . A . 8 GLU H . . A . 8 GLU HG3 . 1 . 8 GLU- HN . . . 1 . 8 GLU- HGR . . c25201_2mu7 1 58 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG3 H . . . . . 5.0 3.5 5.0 . . . . . A . 14 GLU H . . A . 14 GLU HG3 . 1 . 14 GLU- HN . . . 1 . 14 GLU- HGR . . c25201_2mu7 1 59 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG2 H . . . . . 3.5 2.7 3.5 . . . . . A . 14 GLU H . . A . 14 GLU HG2 . 1 . 14 GLU- HN . . . 1 . 14 GLU- HGS . . c25201_2mu7 1 60 1 OR . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HG2 H . . . . . 3.5 2.7 4.5 . . . . . A . 6 GLN H . . A . 6 GLN HG2 . 1 . 6 GLN HN . . . 1 . 6 GLN HG* . . c25201_2mu7 1 60 2 OR . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HG3 H . . . . . 3.5 2.7 4.5 . . . . . A . 6 GLN H . . A . 6 GLN HG3 . 1 . 6 GLN HN . . . 1 . 6 GLN HG* . . c25201_2mu7 1 61 1 . . 1 1 11 11 VAL H H . . . 1 1 11 11 VAL HB H . . . . . 2.7 1.8 2.7 . . . . . A . 11 VAL H . . A . 11 VAL HB . 1 . 11 VAL HN . . . 1 . 11 VAL HB . . c25201_2mu7 1 62 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 6 GLN H . . A . 6 GLN HB2 . 1 . 6 GLN HN . . . 1 . 6 GLN HBR . . c25201_2mu7 1 63 1 OR . 1 1 9 9 LYS H H . . . 1 1 10 10 MET HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 9 LYS H . . A . 10 MET HB2 . 1 . 9 LYS+ HN . . . 1 . 10 MET HB* . . c25201_2mu7 1 63 2 OR . 1 1 9 9 LYS H H . . . 1 1 10 10 MET HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 9 LYS H . . A . 10 MET HB3 . 1 . 9 LYS+ HN . . . 1 . 10 MET HB* . . c25201_2mu7 1 64 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 GLN HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 7 LYS H . . A . 6 GLN HB2 . 1 . 7 LYS+ HN . . . 1 . 6 GLN HBR . . c25201_2mu7 1 65 1 OR . 1 1 10 10 MET H H . . . 1 1 10 10 MET HB2 H . . . . . 2.7 1.8 3.7 . . . . . A . 10 MET H . . A . 10 MET HB2 . 1 . 10 MET HN . . . 1 . 10 MET HB* . . c25201_2mu7 1 65 2 OR . 1 1 10 10 MET H H . . . 1 1 10 10 MET HB3 H . . . . . 2.7 1.8 3.7 . . . . . A . 10 MET H . . A . 10 MET HB3 . 1 . 10 MET HN . . . 1 . 10 MET HB* . . c25201_2mu7 1 66 1 . . 1 1 8 8 GLU H H . . . 1 1 8 8 GLU HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 8 GLU H . . A . 8 GLU HB3 . 1 . 8 GLU- HN . . . 1 . 8 GLU- HBS . . c25201_2mu7 1 67 1 . . 1 1 8 8 GLU H H . . . 1 1 7 7 LYS HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 8 GLU H . . A . 7 LYS HB3 . 1 . 8 GLU- HN . . . 1 . 7 LYS+ HBS . . c25201_2mu7 1 68 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 6 GLN H . . A . 6 GLN HB3 . 1 . 6 GLN HN . . . 1 . 6 GLN HBS . . c25201_2mu7 1 69 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 9 LYS H . . A . 9 LYS HB2 . 1 . 9 LYS+ HN . . . 1 . 9 LYS+ HBR . . c25201_2mu7 1 70 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 7 LYS H . . A . 7 LYS HB2 . 1 . 7 LYS+ HN . . . 1 . 7 LYS+ HBR . . c25201_2mu7 1 71 1 . . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 7 LYS H . . A . 7 LYS HB3 . 1 . 7 LYS+ HN . . . 1 . 7 LYS+ HBS . . c25201_2mu7 1 72 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB2 H . . . . . 2.7 1.8 2.7 . . . . . A . 12 LEU H . . A . 12 LEU HB2 . 1 . 12 LEU HN . . . 1 . 12 LEU HBR . . c25201_2mu7 1 73 1 . . 1 1 13 13 ASN H H . . . 1 1 12 12 LEU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 13 ASN H . . A . 12 LEU HB2 . 1 . 13 ASN HN . . . 1 . 12 LEU HBR . . c25201_2mu7 1 74 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 9 LYS H . . A . 9 LYS HB3 . 1 . 9 LYS+ HN . . . 1 . 9 LYS+ HBS . . c25201_2mu7 1 75 1 . . 1 1 10 10 MET H H . . . 1 1 9 9 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 10 MET H . . A . 9 LYS HB3 . 1 . 10 MET HN . . . 1 . 9 LYS+ HBS . . c25201_2mu7 1 76 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 12 LEU H . . A . 12 LEU HB3 . 1 . 12 LEU HN . . . 1 . 12 LEU HBS . . c25201_2mu7 1 77 1 . . 1 1 13 13 ASN H H . . . 1 1 12 12 LEU HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 13 ASN H . . A . 12 LEU HB3 . 1 . 13 ASN HN . . . 1 . 12 LEU HBS . . c25201_2mu7 1 78 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 4 LEU H . . A . 4 LEU HB3 . 1 . 4 LEU HN . . . 1 . 4 LEU HBS . . c25201_2mu7 1 79 1 . . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU H . . A . 4 LEU HB2 . 1 . 4 LEU HN . . . 1 . 4 LEU HBR . . c25201_2mu7 1 80 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 LEU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE H . . A . 4 LEU HB2 . 1 . 5 PHE HN . . . 1 . 4 LEU HBR . . c25201_2mu7 1 81 1 . . 1 1 5 5 PHE H H . . . 1 1 4 4 LEU HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE H . . A . 4 LEU HB3 . 1 . 5 PHE HN . . . 1 . 4 LEU HBS . . c25201_2mu7 1 82 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG2 H . . . . . 3.5 2.7 4.5 . . . . . A . 7 LYS H . . A . 7 LYS HG2 . 1 . 7 LYS+ HN . . . 1 . 7 LYS HG* . . c25201_2mu7 1 82 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG3 H . . . . . 3.5 2.7 4.5 . . . . . A . 7 LYS H . . A . 7 LYS HG3 . 1 . 7 LYS+ HN . . . 1 . 7 LYS HG* . . c25201_2mu7 1 83 1 OR . 1 1 16 16 THR H H . . . 1 1 16 16 THR MG H . . . . . 3.5 2.7 3.5 . . . . . A . 16 THR H . . A . 16 THR MG . 1 . 16 THR HN . . . 1 . 16 THR HG* . . c25201_2mu7 1 83 2 OR . 1 1 16 16 THR H H . . . 1 1 16 16 THR HG1 H . . . . . 3.5 2.7 3.5 . . . . . A . 16 THR H . . A . 16 THR HG1 . 1 . 16 THR HN . . . 1 . 16 THR HG* . . c25201_2mu7 1 84 1 . . 1 1 12 12 LEU H H . . . 1 1 11 11 VAL MG1 H . . . . . 3.5 2.7 4.5 . . . . . A . 12 LEU H . . A . 11 VAL MG1 . 1 . 12 LEU HN . . . 1 . 11 VAL HGR* . . c25201_2mu7 1 85 1 . . 1 1 2 2 TYR HB2 H . . . 1 1 2 2 TYR QD H . . . . . 2.7 1.8 4.7 . . . . . A . 2 TYR HB2 . . A . 2 TYR QD . 1 . 2 TYR HBR . . . 1 . 2 TYR HD* . . c25201_2mu7 1 86 1 . . 1 1 2 2 TYR HB3 H . . . 1 1 2 2 TYR QD H . . . . . 2.7 1.8 4.7 . . . . . A . 2 TYR HB3 . . A . 2 TYR QD . 1 . 2 TYR HBS . . . 1 . 2 TYR HD* . . c25201_2mu7 1 87 1 . . 1 1 5 5 PHE HB3 H . . . 1 1 5 5 PHE QD H . . . . . 2.7 1.8 4.7 . . . . . A . 5 PHE HB3 . . A . 5 PHE QD . 1 . 5 PHE HBS . . . 1 . 5 PHE HD* . . c25201_2mu7 1 88 1 . . 1 1 5 5 PHE HB2 H . . . 1 1 5 5 PHE QD H . . . . . 2.7 1.8 4.7 . . . . . A . 5 PHE HB2 . . A . 5 PHE QD . 1 . 5 PHE HBR . . . 1 . 5 PHE HD* . . c25201_2mu7 1 89 1 . . 1 1 5 5 PHE H H . . . 1 1 6 6 GLN H H . . . . . 2.7 1.8 2.7 . . . . . A . 5 PHE H . . A . 6 GLN H . 1 . 5 PHE HN . . . 1 . 6 GLN HN . . c25201_2mu7 1 90 1 . . 1 1 10 10 MET H H . . . 1 1 9 9 LYS H H . . . . . 3.5 2.7 3.5 . . . . . A . 10 MET H . . A . 9 LYS H . 1 . 10 MET HN . . . 1 . 9 LYS+ HN . . c25201_2mu7 1 91 1 . . 1 1 11 11 VAL H H . . . 1 1 10 10 MET H H . . . . . 2.7 1.8 2.7 . . . . . A . 11 VAL H . . A . 10 MET H . 1 . 11 VAL HN . . . 1 . 10 MET HN . . c25201_2mu7 1 92 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 GLN H H . . . . . 3.5 2.7 3.5 . . . . . A . 7 LYS H . . A . 6 GLN H . 1 . 7 LYS+ HN . . . 1 . 6 GLN HN . . c25201_2mu7 1 93 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 SER H H . . . . . 2.7 1.8 2.7 . . . . . A . 4 LEU H . . A . 3 SER H . 1 . 4 LEU HN . . . 1 . 3 SER HN . . c25201_2mu7 1 94 1 . . 1 1 8 8 GLU H H . . . 1 1 7 7 LYS H H . . . . . 2.7 1.8 2.7 . . . . . A . 8 GLU H . . A . 7 LYS H . 1 . 8 GLU- HN . . . 1 . 7 LYS+ HN . . c25201_2mu7 1 95 1 . . 1 1 15 15 GLY H H . . . 1 1 16 16 THR H H . . . . . 3.5 2.7 3.5 . . . . . A . 15 GLY H . . A . 16 THR H . 1 . 15 GLY HN . . . 1 . 16 THR HN . . c25201_2mu7 1 96 1 . . 1 1 17 17 SER H H . . . 1 1 16 16 THR H H . . . . . 3.5 2.7 3.5 . . . . . A . 17 SER H . . A . 16 THR H . 1 . 17 SER HN . . . 1 . 16 THR HN . . c25201_2mu7 1 97 1 . . 1 1 19 19 THR H H . . . 1 1 18 18 GLY H H . . . . . 2.7 1.8 2.7 . . . . . A . 19 THR H . . A . 18 GLY H . 1 . 19 THR HN . . . 1 . 18 GLY HN . . c25201_2mu7 1 98 1 . . 1 1 2 2 TYR H H . . . 1 1 3 3 SER H H . . . . . 3.5 2.7 3.5 . . . . . A . 2 TYR H . . A . 3 SER H . 1 . 2 TYR HN . . . 1 . 3 SER HN . . c25201_2mu7 1 99 1 . . 1 1 15 15 GLY H H . . . 1 1 14 14 GLU H H . . . . . 2.7 1.8 2.7 . . . . . A . 15 GLY H . . A . 14 GLU H . 1 . 15 GLY HN . . . 1 . 14 GLU- HN . . c25201_2mu7 1 100 1 . . 1 1 18 18 GLY H H . . . 1 1 17 17 SER H H . . . . . 3.5 2.7 3.5 . . . . . A . 18 GLY H . . A . 17 SER H . 1 . 18 GLY HN . . . 1 . 17 SER HN . . c25201_2mu7 1 101 1 . . 1 1 5 5 PHE QD H . . . 1 1 5 5 PHE QE H . . . . . 2.7 1.8 6.7 . . . . . A . 5 PHE QD . . A . 5 PHE QE . 1 . 5 PHE HD* . . . 1 . 5 PHE HE* . . c25201_2mu7 1 102 1 . . 1 1 2 2 TYR QD H . . . 1 1 2 2 TYR QE H . . . . . 2.7 1.8 6.7 . . . . . A . 2 TYR QD . . A . 2 TYR QE . 1 . 2 TYR HD* . . . 1 . 2 TYR HE* . . c25201_2mu7 1 103 1 . . 1 1 13 13 ASN HD21 H . . . 1 1 13 13 ASN HD22 H . . . . . 2.7 1.8 2.7 . . . . . A . 13 ASN HD21 . . A . 13 ASN HD22 . 1 . 13 ASN HD21 . . . 1 . 13 ASN HD22 . . c25201_2mu7 1 104 1 . . 1 1 6 6 GLN HE21 H . . . 1 1 6 6 GLN HE22 H . . . . . 2.7 1.8 2.7 . . . . . A . 6 GLN HE21 . . A . 6 GLN HE22 . 1 . 6 GLN HE21 . . . 1 . 6 GLN HE22 . . c25201_2mu7 1 105 1 . . 1 1 5 5 PHE HA H . . . 1 1 5 5 PHE HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE HA . . A . 5 PHE HB3 . 1 . 5 PHE HA . . . 1 . 5 PHE HBS . . c25201_2mu7 1 106 1 OR . 1 1 3 3 SER HA H . . . 1 1 3 3 SER HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 3 SER HA . . A . 3 SER HB2 . 1 . 3 SER HA . . . 1 . 3 SER HB* . . c25201_2mu7 1 106 2 OR . 1 1 3 3 SER HA H . . . 1 1 3 3 SER HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 3 SER HA . . A . 3 SER HB3 . 1 . 3 SER HA . . . 1 . 3 SER HB* . . c25201_2mu7 1 107 1 . . 1 1 5 5 PHE HA H . . . 1 1 5 5 PHE HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 5 PHE HA . . A . 5 PHE HB2 . 1 . 5 PHE HA . . . 1 . 5 PHE HBR . . c25201_2mu7 1 108 1 . . 1 1 2 2 TYR HA H . . . 1 1 5 5 PHE HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 2 TYR HA . . A . 5 PHE HB2 . 1 . 2 TYR HA . . . 1 . 5 PHE HBR . . c25201_2mu7 1 109 1 . . 1 1 2 2 TYR HA H . . . 1 1 2 2 TYR HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 2 TYR HA . . A . 2 TYR HB3 . 1 . 2 TYR HA . . . 1 . 2 TYR HBS . . c25201_2mu7 1 110 1 . . 1 1 2 2 TYR HA H . . . 1 1 2 2 TYR HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 2 TYR HA . . A . 2 TYR HB2 . 1 . 2 TYR HA . . . 1 . 2 TYR HBR . . c25201_2mu7 1 111 1 . . 1 1 13 13 ASN HA H . . . 1 1 13 13 ASN HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 13 ASN HA . . A . 13 ASN HB3 . 1 . 13 ASN HA . . . 1 . 13 ASN HBR . . c25201_2mu7 1 112 1 . . 1 1 10 10 MET HA H . . . 1 1 13 13 ASN HB3 H . . . . . 5.0 3.5 5.0 . . . . . A . 10 MET HA . . A . 13 ASN HB3 . 1 . 10 MET HA . . . 1 . 13 ASN HBR . . c25201_2mu7 1 113 1 . . 1 1 5 5 PHE HA H . . . 1 1 8 8 GLU HB2 H . . . . . 5.0 3.5 5.0 . . . . . A . 5 PHE HA . . A . 8 GLU HB2 . 1 . 5 PHE HA . . . 1 . 8 GLU- HBR . . c25201_2mu7 1 114 1 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 14 GLU HA . . A . 14 GLU HB2 . 1 . 14 GLU- HA . . . 1 . 14 GLU HB* . . c25201_2mu7 1 114 2 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 14 GLU HA . . A . 14 GLU HB3 . 1 . 14 GLU- HA . . . 1 . 14 GLU HB* . . c25201_2mu7 1 115 1 OR . 1 1 10 10 MET HA H . . . 1 1 10 10 MET HB2 H . . . . . 3.5 2.7 4.5 . . . . . A . 10 MET HA . . A . 10 MET HB2 . 1 . 10 MET HA . . . 1 . 10 MET HB* . . c25201_2mu7 1 115 2 OR . 1 1 10 10 MET HA H . . . 1 1 10 10 MET HB3 H . . . . . 3.5 2.7 4.5 . . . . . A . 10 MET HA . . A . 10 MET HB3 . 1 . 10 MET HA . . . 1 . 10 MET HB* . . c25201_2mu7 1 116 1 . . 1 1 8 8 GLU HA H . . . 1 1 8 8 GLU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 8 GLU HA . . A . 8 GLU HB2 . 1 . 8 GLU- HA . . . 1 . 8 GLU- HBR . . c25201_2mu7 1 117 1 . . 1 1 6 6 GLN HA H . . . 1 1 6 6 GLN HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 6 GLN HA . . A . 6 GLN HB2 . 1 . 6 GLN HA . . . 1 . 6 GLN HBR . . c25201_2mu7 1 118 1 . . 1 1 6 6 GLN HA H . . . 1 1 6 6 GLN HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 6 GLN HA . . A . 6 GLN HB3 . 1 . 6 GLN HA . . . 1 . 6 GLN HBS . . c25201_2mu7 1 119 1 . . 1 1 11 11 VAL HA H . . . 1 1 11 11 VAL HB H . . . . . 3.5 2.7 3.5 . . . . . A . 11 VAL HA . . A . 11 VAL HB . 1 . 11 VAL HA . . . 1 . 11 VAL HB . . c25201_2mu7 1 120 1 . . 1 1 4 4 LEU HA H . . . 1 1 7 7 LYS HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU HA . . A . 7 LYS HB3 . 1 . 4 LEU HA . . . 1 . 7 LYS+ HBS . . c25201_2mu7 1 121 1 . . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 7 LYS HA . . A . 7 LYS HB3 . 1 . 7 LYS+ HA . . . 1 . 7 LYS+ HBS . . c25201_2mu7 1 122 1 . . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 9 LYS HA . . A . 9 LYS HB3 . 1 . 9 LYS+ HA . . . 1 . 9 LYS+ HBS . . c25201_2mu7 1 123 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 12 LEU HA . . A . 12 LEU HB2 . 1 . 12 LEU HA . . . 1 . 12 LEU HBR . . c25201_2mu7 1 124 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU HB2 H . . . . . 3.5 2.7 3.5 . . . . . A . 4 LEU HA . . A . 4 LEU HB2 . 1 . 4 LEU HA . . . 1 . 4 LEU HBR . . c25201_2mu7 1 125 1 . . 1 1 4 4 LEU HA H . . . 1 1 4 4 LEU HB3 H . . . . . 2.7 1.8 2.7 . . . . . A . 4 LEU HA . . A . 4 LEU HB3 . 1 . 4 LEU HA . . . 1 . 4 LEU HBS . . c25201_2mu7 1 126 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU HB3 H . . . . . 3.5 2.7 3.5 . . . . . A . 12 LEU HA . . A . 12 LEU HB3 . 1 . 12 LEU HA . . . 1 . 12 LEU HBS . . c25201_2mu7 1 127 1 . . 1 1 8 8 GLU HG2 H . . . 1 1 8 8 GLU HG3 H . . . . . 2.7 1.8 2.7 . . . . . A . 8 GLU HG2 . . A . 8 GLU HG3 . 1 . 8 GLU- HGS . . . 1 . 8 GLU- HGR . . c25201_2mu7 1 128 1 . . 1 1 8 8 GLU HA H . . . 1 1 12 12 LEU H H . . . . . 5.0 3.5 5.0 . . . . . A . 8 GLU HA . . A . 12 LEU H . 1 . 8 GLU- HA . . . 1 . 12 LEU HN . . c25201_2mu7 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 NOE_distance 1 1 1 13 c25201_2mu7 1 2 strong: 2 87 2 102 c25201_2mu7 1 3 strong: 3 87 3 102 c25201_2mu7 1 4 medium: 4 87 4 102 c25201_2mu7 1 5 strong: 5 87 5 102 c25201_2mu7 1 6 strong: 6 87 6 102 c25201_2mu7 1 7 strong: 7 87 7 102 c25201_2mu7 1 8 strong: 8 87 8 102 c25201_2mu7 1 9 strong: 9 87 9 102 c25201_2mu7 1 10 medium: 10 87 10 102 c25201_2mu7 1 11 medium: 11 87 11 102 c25201_2mu7 1 12 strong: 12 87 12 102 c25201_2mu7 1 13 medium: 13 87 13 102 c25201_2mu7 1 14 weak: 14 87 14 100 c25201_2mu7 1 15 medium: 15 87 15 102 c25201_2mu7 1 16 medium: 16 87 16 102 c25201_2mu7 1 17 medium: 17 87 17 102 c25201_2mu7 1 18 strong: 18 87 18 102 c25201_2mu7 1 19 strong: 19 87 19 102 c25201_2mu7 1 20 medium: 20 87 20 102 c25201_2mu7 1 21 strong: 21 87 21 102 c25201_2mu7 1 22 medium: 22 87 22 102 c25201_2mu7 1 23 medium: 23 87 23 102 c25201_2mu7 1 24 medium: 24 87 24 102 c25201_2mu7 1 25 medium: 25 87 25 102 c25201_2mu7 1 26 medium: 26 87 26 102 c25201_2mu7 1 27 medium: 27 87 27 102 c25201_2mu7 1 28 medium: 28 87 28 102 c25201_2mu7 1 29 medium: 29 87 29 102 c25201_2mu7 1 30 strong: 30 87 30 102 c25201_2mu7 1 31 medium: 31 87 31 102 c25201_2mu7 1 32 strong: 32 87 32 102 c25201_2mu7 1 33 strong: 33 87 33 102 c25201_2mu7 1 34 medium: 34 87 34 102 c25201_2mu7 1 35 weak: 35 87 35 102 c25201_2mu7 1 36 medium: 36 87 36 102 c25201_2mu7 1 37 medium: 37 87 37 102 c25201_2mu7 1 38 medium: 38 87 38 102 c25201_2mu7 1 39 strong: 39 87 39 102 c25201_2mu7 1 40 weak: 40 87 40 100 c25201_2mu7 1 41 medium: 41 87 41 102 c25201_2mu7 1 42 medium: 42 87 42 102 c25201_2mu7 1 43 medium: 43 87 43 102 c25201_2mu7 1 44 medium: 44 87 44 102 c25201_2mu7 1 45 weak: 45 87 45 100 c25201_2mu7 1 46 weak: 46 87 46 100 c25201_2mu7 1 47 weak: 47 87 47 102 c25201_2mu7 1 48 weak: 48 87 48 100 c25201_2mu7 1 49 weak: 49 87 49 100 c25201_2mu7 1 50 medium: 50 87 50 102 c25201_2mu7 1 51 medium: 51 87 51 102 c25201_2mu7 1 52 medium: 52 87 52 102 c25201_2mu7 1 53 medium: 53 87 53 102 c25201_2mu7 1 54 strong: 54 87 54 102 c25201_2mu7 1 55 strong: 55 87 55 102 c25201_2mu7 1 56 medium: 56 87 56 102 c25201_2mu7 1 57 medium: 57 87 57 102 c25201_2mu7 1 58 strong: 58 87 58 102 c25201_2mu7 1 59 medium: 59 87 59 102 c25201_2mu7 1 60 medium: 60 87 60 102 c25201_2mu7 1 61 weak: 61 87 61 100 c25201_2mu7 1 62 medium: 62 87 62 102 c25201_2mu7 1 63 medium: 63 87 63 102 c25201_2mu7 1 64 strong: 64 87 64 102 c25201_2mu7 1 65 strong: 65 87 65 102 c25201_2mu7 1 66 medium: 66 87 66 102 c25201_2mu7 1 67 medium: 67 87 67 102 c25201_2mu7 1 68 strong: 68 87 68 102 c25201_2mu7 1 69 strong: 69 87 69 102 c25201_2mu7 1 70 medium: 70 87 70 102 c25201_2mu7 1 71 strong: 71 87 71 102 c25201_2mu7 1 72 strong: 72 87 72 102 c25201_2mu7 1 73 medium: 73 87 73 102 c25201_2mu7 1 74 strong: 74 87 74 102 c25201_2mu7 1 75 strong: 75 87 75 102 c25201_2mu7 1 76 medium: 76 87 76 101 c25201_2mu7 1 77 strong: 77 87 77 102 c25201_2mu7 1 78 strong: 78 87 78 102 c25201_2mu7 1 79 medium: 79 87 79 102 c25201_2mu7 1 80 medium: 80 87 80 102 c25201_2mu7 1 81 strong: 81 87 81 102 c25201_2mu7 1 82 medium: 82 87 82 102 c25201_2mu7 1 83 medium: 83 87 83 102 c25201_2mu7 1 84 medium: 84 87 84 102 c25201_2mu7 1 85 medium: 85 87 85 102 c25201_2mu7 1 86 medium: 86 87 86 110 c25201_2mu7 1 87 medium: 87 87 87 118 c25201_2mu7 1 88 strong: 88 87 88 102 c25201_2mu7 1 89 strong: 89 87 89 102 c25201_2mu7 1 90 strong: 90 87 90 102 c25201_2mu7 1 91 strong: 91 87 91 102 c25201_2mu7 1 92 strong: 92 87 92 102 c25201_2mu7 1 93 medium: 93 87 93 102 c25201_2mu7 1 94 strong: 94 87 94 102 c25201_2mu7 1 95 medium: 95 87 95 102 c25201_2mu7 1 96 strong: 96 87 96 102 c25201_2mu7 1 97 strong: 97 87 97 102 c25201_2mu7 1 98 medium: 98 87 98 102 c25201_2mu7 1 99 medium: 99 87 99 102 c25201_2mu7 1 100 strong: 100 87 100 102 c25201_2mu7 1 101 medium: 101 87 101 101 c25201_2mu7 1 102 strong: 102 87 102 102 c25201_2mu7 1 103 medium: 103 87 103 102 c25201_2mu7 1 104 strong: 104 87 104 102 c25201_2mu7 1 105 strong: 105 87 105 102 c25201_2mu7 1 106 strong: 106 87 106 102 c25201_2mu7 1 107 strong: 107 87 107 102 c25201_2mu7 1 108 medium: 108 87 108 102 c25201_2mu7 1 109 medium: 109 87 109 102 c25201_2mu7 1 110 medium: 110 87 110 102 c25201_2mu7 1 111 weak: 111 87 111 100 c25201_2mu7 1 112 medium: 112 87 112 102 c25201_2mu7 1 113 medium: 113 87 113 102 c25201_2mu7 1 114 medium: 114 87 114 102 c25201_2mu7 1 115 weak: 115 87 115 100 c25201_2mu7 1 116 weak: 116 87 116 100 c25201_2mu7 1 117 medium: 117 87 117 102 c25201_2mu7 1 118 medium: 118 87 118 102 c25201_2mu7 1 119 medium: 119 87 119 102 c25201_2mu7 1 120 medium: 120 87 120 102 c25201_2mu7 1 121 medium: 121 87 121 102 c25201_2mu7 1 122 medium: 122 87 122 102 c25201_2mu7 1 123 medium: 123 87 123 102 c25201_2mu7 1 124 strong: 124 87 124 102 c25201_2mu7 1 125 strong: 125 87 125 102 c25201_2mu7 1 126 medium: 126 87 126 102 c25201_2mu7 1 127 medium: 127 87 127 102 c25201_2mu7 1 128 strong: 128 87 128 102 c25201_2mu7 1 129 medium: 129 87 129 102 c25201_2mu7 1 130 strong: 130 87 130 102 c25201_2mu7 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 4 2 1 "Not handling restraint 2, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25201_2mu7 1 2 4 26 1 "Not handling restraint 26, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25201_2mu7 1 stop_ save_ save_Discover_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID c25201_2mu7 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c25201_2mu7 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 6 6 GLN H H . . . 1 1 2 2 TYR O O . . . . . . 1.8 2.5 . . . . . A . 6 GLN H . . A . 2 TYR O . 1 . 6 GLN HN . . . 1 . 2 TYR O . . c25201_2mu7 2 2 1 . . 1 1 10 10 MET H H . . . 1 1 6 6 GLN O O . . . . . . 1.8 2.5 . . . . . A . 10 MET H . . A . 6 GLN O . 1 . 10 MET HN . . . 1 . 6 GLN O . . c25201_2mu7 2 3 1 . . 1 1 13 13 ASN H H . . . 1 1 9 9 LYS O O . . . . . . 1.8 2.5 . . . . . A . 13 ASN H . . A . 9 LYS O . 1 . 13 ASN HN . . . 1 . 9 LYS+ O . . c25201_2mu7 2 4 1 . . 1 1 14 14 GLU H H . . . 1 1 10 10 MET O O . . . . . . 1.8 2.5 . . . . . A . 14 GLU H . . A . 10 MET O . 1 . 14 GLU- HN . . . 1 . 10 MET O . . c25201_2mu7 2 5 1 . . 1 1 15 15 GLY H H . . . 1 1 11 11 VAL O O . . . . . . 1.8 2.5 . . . . . A . 15 GLY H . . A . 11 VAL O . 1 . 15 GLY HN . . . 1 . 11 VAL O . . c25201_2mu7 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 distance 1 1 1 9 c25201_2mu7 2 stop_ save_ save_Discover_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_6 _Torsion_angle_constraint_list.Entry_ID c25201_2mu7 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c25201_2mu7 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 1 1 GLY CA C . . 1 1 1 1 GLY C C . . 1 1 2 2 TYR N N . . 1 1 2 2 TYR CA C . 178.0 180.0 . . . A . 1 GLY CA . . A . 1 GLY C . . A . 2 TYR N . . A . 2 TYR CA . 1 . 1 GLY CA . . . 1 . 1 GLY C . . . 1 . 2 TYR N . . . 1 . 2 TYR CA . . c25201_2mu7 1 2 . . 1 1 2 2 TYR CA C . . 1 1 2 2 TYR C C . . 1 1 3 3 SER N N . . 1 1 3 3 SER CA C . 178.0 180.0 . . . A . 2 TYR CA . . A . 2 TYR C . . A . 3 SER N . . A . 3 SER CA . 1 . 2 TYR CA . . . 1 . 2 TYR C . . . 1 . 3 SER N . . . 1 . 3 SER CA . . c25201_2mu7 1 3 . . 1 1 3 3 SER CA C . . 1 1 3 3 SER C C . . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . 178.0 180.0 . . . A . 3 SER CA . . A . 3 SER C . . A . 4 LEU N . . A . 4 LEU CA . 1 . 3 SER CA . . . 1 . 3 SER C . . . 1 . 4 LEU N . . . 1 . 4 LEU CA . . c25201_2mu7 1 4 . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . . 1 1 5 5 PHE N N . . 1 1 5 5 PHE CA C . 178.0 180.0 . . . A . 4 LEU CA . . A . 4 LEU C . . A . 5 PHE N . . A . 5 PHE CA . 1 . 4 LEU CA . . . 1 . 4 LEU C . . . 1 . 5 PHE N . . . 1 . 5 PHE CA . . c25201_2mu7 1 5 . . 1 1 5 5 PHE CA C . . 1 1 5 5 PHE C C . . 1 1 6 6 GLN N N . . 1 1 6 6 GLN CA C . 178.0 180.0 . . . A . 5 PHE CA . . A . 5 PHE C . . A . 6 GLN N . . A . 6 GLN CA . 1 . 5 PHE CA . . . 1 . 5 PHE C . . . 1 . 6 GLN N . . . 1 . 6 GLN CA . . c25201_2mu7 1 6 . . 1 1 6 6 GLN CA C . . 1 1 6 6 GLN C C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . 178.0 180.0 . . . A . 6 GLN CA . . A . 6 GLN C . . A . 7 LYS N . . A . 7 LYS CA . 1 . 6 GLN CA . . . 1 . 6 GLN C . . . 1 . 7 LYS+ N . . . 1 . 7 LYS+ CA . . c25201_2mu7 1 7 . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . . 1 1 8 8 GLU N N . . 1 1 8 8 GLU CA C . 178.0 180.0 . . . A . 7 LYS CA . . A . 7 LYS C . . A . 8 GLU N . . A . 8 GLU CA . 1 . 7 LYS+ CA . . . 1 . 7 LYS+ C . . . 1 . 8 GLU- N . . . 1 . 8 GLU- CA . . c25201_2mu7 1 8 . . 1 1 8 8 GLU CA C . . 1 1 8 8 GLU C C . . 1 1 9 9 LYS N N . . 1 1 9 9 LYS CA C . 178.0 180.0 . . . A . 8 GLU CA . . A . 8 GLU C . . A . 9 LYS N . . A . 9 LYS CA . 1 . 8 GLU- CA . . . 1 . 8 GLU- C . . . 1 . 9 LYS+ N . . . 1 . 9 LYS+ CA . . c25201_2mu7 1 9 . . 1 1 9 9 LYS CA C . . 1 1 9 9 LYS C C . . 1 1 10 10 MET N N . . 1 1 10 10 MET CA C . 178.0 180.0 . . . A . 9 LYS CA . . A . 9 LYS C . . A . 10 MET N . . A . 10 MET CA . 1 . 9 LYS+ CA . . . 1 . 9 LYS+ C . . . 1 . 10 MET N . . . 1 . 10 MET CA . . c25201_2mu7 1 10 . . 1 1 10 10 MET CA C . . 1 1 10 10 MET C C . . 1 1 11 11 VAL N N . . 1 1 11 11 VAL CA C . 178.0 180.0 . . . A . 10 MET CA . . A . 10 MET C . . A . 11 VAL N . . A . 11 VAL CA . 1 . 10 MET CA . . . 1 . 10 MET C . . . 1 . 11 VAL N . . . 1 . 11 VAL CA . . c25201_2mu7 1 11 . . 1 1 11 11 VAL CA C . . 1 1 11 11 VAL C C . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU CA C . 178.0 180.0 . . . A . 11 VAL CA . . A . 11 VAL C . . A . 12 LEU N . . A . 12 LEU CA . 1 . 11 VAL CA . . . 1 . 11 VAL C . . . 1 . 12 LEU N . . . 1 . 12 LEU CA . . c25201_2mu7 1 12 . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU C C . . 1 1 13 13 ASN N N . . 1 1 13 13 ASN CA C . 178.0 180.0 . . . A . 12 LEU CA . . A . 12 LEU C . . A . 13 ASN N . . A . 13 ASN CA . 1 . 12 LEU CA . . . 1 . 12 LEU C . . . 1 . 13 ASN N . . . 1 . 13 ASN CA . . c25201_2mu7 1 13 . . 1 1 13 13 ASN CA C . . 1 1 13 13 ASN C C . . 1 1 14 14 GLU N N . . 1 1 14 14 GLU CA C . 178.0 180.0 . . . A . 13 ASN CA . . A . 13 ASN C . . A . 14 GLU N . . A . 14 GLU CA . 1 . 13 ASN CA . . . 1 . 13 ASN C . . . 1 . 14 GLU- N . . . 1 . 14 GLU- CA . . c25201_2mu7 1 14 . . 1 1 14 14 GLU CA C . . 1 1 14 14 GLU C C . . 1 1 15 15 GLY N N . . 1 1 15 15 GLY CA C . 178.0 180.0 . . . A . 14 GLU CA . . A . 14 GLU C . . A . 15 GLY N . . A . 15 GLY CA . 1 . 14 GLU- CA . . . 1 . 14 GLU- C . . . 1 . 15 GLY N . . . 1 . 15 GLY CA . . c25201_2mu7 1 15 . . 1 1 15 15 GLY CA C . . 1 1 15 15 GLY C C . . 1 1 16 16 THR N N . . 1 1 16 16 THR CA C . 178.0 180.0 . . . A . 15 GLY CA . . A . 15 GLY C . . A . 16 THR N . . A . 16 THR CA . 1 . 15 GLY CA . . . 1 . 15 GLY C . . . 1 . 16 THR N . . . 1 . 16 THR CA . . c25201_2mu7 1 16 . . 1 1 16 16 THR CA C . . 1 1 16 16 THR C C . . 1 1 17 17 SER N N . . 1 1 17 17 SER CA C . 178.0 180.0 . . . A . 16 THR CA . . A . 16 THR C . . A . 17 SER N . . A . 17 SER CA . 1 . 16 THR CA . . . 1 . 16 THR C . . . 1 . 17 SER N . . . 1 . 17 SER CA . . c25201_2mu7 1 17 . . 1 1 17 17 SER CA C . . 1 1 17 17 SER C C . . 1 1 18 18 GLY N N . . 1 1 18 18 GLY CA C . 178.0 180.0 . . . A . 17 SER CA . . A . 17 SER C . . A . 18 GLY N . . A . 18 GLY CA . 1 . 17 SER CA . . . 1 . 17 SER C . . . 1 . 18 GLY N . . . 1 . 18 GLY CA . . c25201_2mu7 1 18 . . 1 1 18 18 GLY CA C . . 1 1 18 18 GLY C C . . 1 1 19 19 THR N N . . 1 1 19 19 THR CA C . 178.0 180.0 . . . A . 18 GLY CA . . A . 18 GLY C . . A . 19 THR N . . A . 19 THR CA . 1 . 18 GLY CA . . . 1 . 18 GLY C . . . 1 . 19 THR N . . . 1 . 19 THR CA . . c25201_2mu7 1 19 . . 1 1 19 19 THR CA C . . 1 1 19 19 THR C C . . 1 1 20 20 ALA N N . . 1 1 20 20 ALA CA C . 178.0 180.0 . . . A . 19 THR CA . . A . 19 THR C . . A . 20 ALA N . . A . 20 ALA CA . 1 . 19 THR CA . . . 1 . 19 THR C . . . 1 . 20 ALA N . . . 1 . 20 ALA CA . . c25201_2mu7 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 NMR_dihedral 1 1 1 13 c25201_2mu7 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c25201_2mu7 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; *HEADER CELL INVASION 04-SEP-14 2MU7 *TITLE SHORTENING AND MODIFYING THE 1513 MSP-1 PEPTIDE'S ALPHA-HELICAL REGION *TITLE 2 INDUCES PROTECTION AGAINST MALARIA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 1513 MSP-1 PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; *SOURCE 4 ORGANISM_TAXID: 5833 *KEYWDS MSP-1 PROTEIN, CELL INVASION *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR F.ESPEJO, A.BERMUDEZ, E.TORRES, M.URQUIZA, R.RODRIGUEZ, Y.LOPEZ, *AUTHOR 2 M.PATARROYO *REVDAT 1 12-NOV-14 2MU7 0 ; save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_framecode MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c25201_2mu7 _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; #mixing_times 2.000000E+02 ! ; save_