data_c19471_2md4 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c19471_2md4 _Entry.Title ; Fragment based approach and binding behavior of LFampinB with Lipopolysaccharide: biophysical aspects ; _Entry.Version_type original _Entry.Submission_date 2013-08-29 _Entry.Accession_date 2013-08-29 _Entry.Last_release_date 2013-09-23 _Entry.Original_release_date 2013-09-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.44 _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 Anirban Bhunia . . . c19471_2md4 2 Subhrangsu Chatterjee . . . c19471_2md4 3 Anirban Ghosh . . . c19471_2md4 4 Jagannath Jana . . . c19471_2md4 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' . c19471_2md4 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Peptide . c19471_2md4 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c19471_2md4 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 71 c19471_2md4 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 . . 2013-09-23 2013-08-29 original author . c19471_2md4 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19468 WR17_LPS c19471_2md4 BMRB 19469 WK10_LPS c19471_2md4 BMRB 19470 KR8_LPS c19471_2md4 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c19471_2md4 _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 'Fragment based approach and binding behaviour of LFampinB with Lipopolysaccharide: biophysical aspects' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 Anirban Bhunia . . . c19471_2md4 1 2 Subhrangsu Chatterjee . . . c19471_2md4 1 3 Anirban Ghosh . . . c19471_2md4 1 4 Jagannath Jana . . . c19471_2md4 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c19471_2md4 _Assembly.ID 1 _Assembly.Name WG12_LPS _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 WG12_LPS 1 $entity A . yes native no no . . . c19471_2md4 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c19471_2md4 _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 WKLLSKAQEKFG _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 12 _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 1437.721 _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 . TRP . c19471_2md4 1 2 . LYS . c19471_2md4 1 3 . LEU . c19471_2md4 1 4 . LEU . c19471_2md4 1 5 . SER . c19471_2md4 1 6 . LYS . c19471_2md4 1 7 . ALA . c19471_2md4 1 8 . GLN . c19471_2md4 1 9 . GLU . c19471_2md4 1 10 . LYS . c19471_2md4 1 11 . PHE . c19471_2md4 1 12 . GLY . c19471_2md4 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 . TRP 1 1 c19471_2md4 1 . LYS 2 2 c19471_2md4 1 . LEU 3 3 c19471_2md4 1 . LEU 4 4 c19471_2md4 1 . SER 5 5 c19471_2md4 1 . LYS 6 6 c19471_2md4 1 . ALA 7 7 c19471_2md4 1 . GLN 8 8 c19471_2md4 1 . GLU 9 9 c19471_2md4 1 . LYS 10 10 c19471_2md4 1 . PHE 11 11 c19471_2md4 1 . GLY 12 12 c19471_2md4 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 c19471_2md4 _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 . . 'not applicable' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c19471_2md4 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 c19471_2md4 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c19471_2md4 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c19471_2md4 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 WG12_LPS 'natural abundance' . . 1 $entity . . 1 . . mM . . . . c19471_2md4 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . c19471_2md4 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . c19471_2md4 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 c19471_2md4 _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 298 . K c19471_2md4 1 pH 4.5 . pH c19471_2md4 1 pressure 1 . atm c19471_2md4 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID c19471_2md4 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c19471_2md4 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' c19471_2md4 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 c19471_2md4 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 c19471_2md4 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . c19471_2md4 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 c19471_2md4 _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.X_ray_instrument_ID _Experiment.X_ray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c19471_2md4 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID c19471_2md4 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CYANA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_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 c19471_2md4 _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 1.0 . . . . . . . . . c19471_2md4 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 c19471_2md4 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' 1 $sample_1 . c19471_2md4 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 TRP HA H 1 4.558 0.002 . 1 . . . A 1 TRP HA . c19471_2md4 1 2 . 1 1 1 1 TRP HB2 H 1 3.276 0.008 . 2 . . . A 1 TRP HB2 . c19471_2md4 1 3 . 1 1 1 1 TRP HB3 H 1 3.276 0.008 . 2 . . . A 1 TRP HB3 . c19471_2md4 1 4 . 1 1 1 1 TRP H H 1 8.143 -0.035 . 1 . . . A 1 TRP H1 . c19471_2md4 1 5 . 1 1 2 2 LYS H H 1 8.017 0.007 . 1 . . . A 2 LYS H . c19471_2md4 1 6 . 1 1 2 2 LYS HA H 1 4.100 0.011 . 1 . . . A 2 LYS HA . c19471_2md4 1 7 . 1 1 2 2 LYS HB2 H 1 1.525 -0.005 . 2 . . . A 2 LYS HB2 . c19471_2md4 1 8 . 1 1 2 2 LYS HB3 H 1 1.525 -0.005 . 2 . . . A 2 LYS HB3 . c19471_2md4 1 9 . 1 1 2 2 LYS HD2 H 1 1.164 -0.002 . 2 . . . A 2 LYS HD2 . c19471_2md4 1 10 . 1 1 2 2 LYS HD3 H 1 1.164 -0.002 . 2 . . . A 2 LYS HD3 . c19471_2md4 1 11 . 1 1 3 3 LEU H H 1 7.929 0.007 . 1 . . . A 3 LEU H . c19471_2md4 1 12 . 1 1 3 3 LEU HA H 1 4.230 0.003 . 1 . . . A 3 LEU HA . c19471_2md4 1 13 . 1 1 3 3 LEU HB2 H 1 1.595 0.004 . 2 . . . A 3 LEU HB2 . c19471_2md4 1 14 . 1 1 3 3 LEU HB3 H 1 1.595 0.004 . 2 . . . A 3 LEU HB3 . c19471_2md4 1 15 . 1 1 3 3 LEU HD11 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD11 . c19471_2md4 1 16 . 1 1 3 3 LEU HD12 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD12 . c19471_2md4 1 17 . 1 1 3 3 LEU HD13 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD13 . c19471_2md4 1 18 . 1 1 3 3 LEU HD21 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD21 . c19471_2md4 1 19 . 1 1 3 3 LEU HD22 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD22 . c19471_2md4 1 20 . 1 1 3 3 LEU HD23 H 1 0.897 -0.919 . 1 . . . A 3 LEU HD23 . c19471_2md4 1 21 . 1 1 4 4 LEU H H 1 8.143 0.010 . 1 . . . A 4 LEU H . c19471_2md4 1 22 . 1 1 4 4 LEU HA H 1 4.376 0.003 . 1 . . . A 4 LEU HA . c19471_2md4 1 23 . 1 1 4 4 LEU HB2 H 1 1.613 0.002 . 2 . . . A 4 LEU HB2 . c19471_2md4 1 24 . 1 1 4 4 LEU HB3 H 1 1.613 0.002 . 2 . . . A 4 LEU HB3 . c19471_2md4 1 25 . 1 1 4 4 LEU HD11 H 1 0.932 -0.006 . 1 . . . A 4 LEU HD11 . c19471_2md4 1 26 . 1 1 4 4 LEU HD12 H 1 0.932 -0.006 . 1 . . . A 4 LEU HD12 . c19471_2md4 1 27 . 1 1 4 4 LEU HD13 H 1 0.932 -0.006 . 1 . . . A 4 LEU HD13 . c19471_2md4 1 28 . 1 1 4 4 LEU HD21 H 1 0.932 -0.006 . 1 . . . A 4 LEU HD21 . c19471_2md4 1 29 . 1 1 4 4 LEU HD22 H 1 0.932 -0.006 . 1 . . . A 4 LEU HD22 . c19471_2md4 1 30 . 1 1 4 4 LEU HD23 H 1 0.932 -0.006 . 1 . . . A 4 LEU HD23 . c19471_2md4 1 31 . 1 1 5 5 SER H H 1 8.205 0.004 . 1 . . . A 5 SER H . c19471_2md4 1 32 . 1 1 5 5 SER HA H 1 4.425 0.001 . 1 . . . A 5 SER HA . c19471_2md4 1 33 . 1 1 5 5 SER HB2 H 1 3.878 0.002 . 2 . . . A 5 SER HB2 . c19471_2md4 1 34 . 1 1 5 5 SER HB3 H 1 3.878 0.002 . 2 . . . A 5 SER HB3 . c19471_2md4 1 35 . 1 1 6 6 LYS H H 1 8.284 0.005 . 1 . . . A 6 LYS H . c19471_2md4 1 36 . 1 1 6 6 LYS HA H 1 4.276 0.001 . 1 . . . A 6 LYS HA . c19471_2md4 1 37 . 1 1 6 6 LYS HB2 H 1 1.824 -0.004 . 2 . . . A 6 LYS HB2 . c19471_2md4 1 38 . 1 1 6 6 LYS HB3 H 1 1.824 -0.004 . 2 . . . A 6 LYS HB3 . c19471_2md4 1 39 . 1 1 6 6 LYS HG2 H 1 1.410 0.002 . 2 . . . A 6 LYS HG2 . c19471_2md4 1 40 . 1 1 6 6 LYS HG3 H 1 1.410 0.002 . 2 . . . A 6 LYS HG3 . c19471_2md4 1 41 . 1 1 6 6 LYS HD2 H 1 1.686 -0.003 . 2 . . . A 6 LYS HD2 . c19471_2md4 1 42 . 1 1 6 6 LYS HD3 H 1 1.686 -0.003 . 2 . . . A 6 LYS HD3 . c19471_2md4 1 43 . 1 1 7 7 ALA H H 1 8.275 0.003 . 1 . . . A 7 ALA H . c19471_2md4 1 44 . 1 1 7 7 ALA HA H 1 4.274 0.003 . 1 . . . A 7 ALA HA . c19471_2md4 1 45 . 1 1 7 7 ALA HB1 H 1 1.413 0.001 . 1 . . . A 7 ALA HB1 . c19471_2md4 1 46 . 1 1 7 7 ALA HB2 H 1 1.413 0.001 . 1 . . . A 7 ALA HB2 . c19471_2md4 1 47 . 1 1 7 7 ALA HB3 H 1 1.413 0.001 . 1 . . . A 7 ALA HB3 . c19471_2md4 1 48 . 1 1 8 8 GLN H H 1 8.350 0.002 . 1 . . . A 8 GLN H . c19471_2md4 1 49 . 1 1 8 8 GLN HA H 1 4.276 0.004 . 1 . . . A 8 GLN HA . c19471_2md4 1 50 . 1 1 8 8 GLN HB2 H 1 2.126 0.003 . 2 . . . A 8 GLN HB2 . c19471_2md4 1 51 . 1 1 8 8 GLN HB3 H 1 2.126 0.003 . 2 . . . A 8 GLN HB3 . c19471_2md4 1 52 . 1 1 9 9 GLU H H 1 8.362 0.004 . 1 . . . A 9 GLU H . c19471_2md4 1 53 . 1 1 9 9 GLU HA H 1 4.315 0.005 . 1 . . . A 9 GLU HA . c19471_2md4 1 54 . 1 1 9 9 GLU HB2 H 1 1.997 0.002 . 2 . . . A 9 GLU HB2 . c19471_2md4 1 55 . 1 1 9 9 GLU HB3 H 1 1.997 0.002 . 2 . . . A 9 GLU HB3 . c19471_2md4 1 56 . 1 1 9 9 GLU HG2 H 1 2.308 0.004 . 2 . . . A 9 GLU HG2 . c19471_2md4 1 57 . 1 1 9 9 GLU HG3 H 1 2.308 0.004 . 2 . . . A 9 GLU HG3 . c19471_2md4 1 58 . 1 1 10 10 LYS H H 1 8.364 0.005 . 1 . . . A 10 LYS H . c19471_2md4 1 59 . 1 1 10 10 LYS HA H 1 4.256 0.003 . 1 . . . A 10 LYS HA . c19471_2md4 1 60 . 1 1 10 10 LYS HB2 H 1 1.889 0.003 . 2 . . . A 10 LYS HB2 . c19471_2md4 1 61 . 1 1 10 10 LYS HB3 H 1 1.889 0.003 . 2 . . . A 10 LYS HB3 . c19471_2md4 1 62 . 1 1 10 10 LYS HG2 H 1 1.414 -0.002 . 2 . . . A 10 LYS HG2 . c19471_2md4 1 63 . 1 1 10 10 LYS HG3 H 1 1.414 -0.002 . 2 . . . A 10 LYS HG3 . c19471_2md4 1 64 . 1 1 10 10 LYS HD2 H 1 1.689 0.001 . 2 . . . A 10 LYS HD2 . c19471_2md4 1 65 . 1 1 10 10 LYS HD3 H 1 1.689 0.001 . 2 . . . A 10 LYS HD3 . c19471_2md4 1 66 . 1 1 11 11 PHE H H 1 8.363 0.001 . 1 . . . A 11 PHE H . c19471_2md4 1 67 . 1 1 11 11 PHE HA H 1 4.633 -0.003 . 1 . . . A 11 PHE HA . c19471_2md4 1 68 . 1 1 11 11 PHE HB2 H 1 3.182 0.002 . 2 . . . A 11 PHE HB2 . c19471_2md4 1 69 . 1 1 11 11 PHE HB3 H 1 3.085 0.003 . 2 . . . A 11 PHE HB3 . c19471_2md4 1 70 . 1 1 12 12 GLY HA2 H 1 3.880 0.002 . 2 . . . A 12 GLY HA2 . c19471_2md4 1 71 . 1 1 12 12 GLY HA3 H 1 3.880 0.002 . 2 . . . A 12 GLY HA3 . c19471_2md4 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 c19471_2md4 _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 10 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 c19471_2md4 _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 . . . c19471_2md4 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 . . . . c19471_2md4 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 TRP C C 3.289 -0.940 -1.146 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19471_2md4 1 . 1 . 2 . 1 1 1 TRP CA C 2.092 0.000 -1.242 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19471_2md4 1 . 1 . 3 . 1 1 1 TRP CB C 2.566 1.416 -1.574 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19471_2md4 1 . 1 . 4 . 1 1 1 TRP CD1 C 4.877 2.166 -0.759 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19471_2md4 1 . 1 . 5 . 1 1 1 TRP CD2 C 3.249 2.385 0.763 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19471_2md4 1 . 1 . 6 . 1 1 1 TRP CE2 C 4.459 2.828 1.332 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19471_2md4 1 . 1 . 7 . 1 1 1 TRP CE3 C 2.085 2.431 1.535 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19471_2md4 1 . 1 . 8 . 1 1 1 TRP CG C 3.539 1.966 -0.575 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19471_2md4 1 . 1 . 9 . 1 1 1 TRP CH2 C 3.380 3.342 3.370 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19471_2md4 1 . 1 . 10 . 1 1 1 TRP CZ2 C 4.535 3.308 2.637 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19471_2md4 1 . 1 . 11 . 1 1 1 TRP CZ3 C 2.162 2.907 2.829 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19471_2md4 1 . 1 . 12 . 1 1 1 TRP H1 H 1.807 0.000 0.856 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19471_2md4 1 . 1 . 13 . 1 1 1 TRP HA H 1.440 -0.346 -2.031 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19471_2md4 1 . 1 . 14 . 1 1 1 TRP HB2 H 3.047 1.411 -2.540 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19471_2md4 1 . 1 . 15 . 1 1 1 TRP HB3 H 1.710 2.076 -1.605 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19471_2md4 1 . 1 . 16 . 1 1 1 TRP HD1 H 5.405 1.943 -1.674 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19471_2md4 1 . 1 . 17 . 1 1 1 TRP HE1 H 6.383 2.913 0.500 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19471_2md4 1 . 1 . 18 . 1 1 1 TRP HE3 H 1.137 2.100 1.136 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19471_2md4 1 . 1 . 19 . 1 1 1 TRP HH2 H 3.394 3.706 4.385 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19471_2md4 1 . 1 . 20 . 1 1 1 TRP HZ2 H 5.466 3.647 3.067 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19471_2md4 1 . 1 . 21 . 1 1 1 TRP HZ3 H 1.273 2.950 3.441 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19471_2md4 1 . 1 . 22 . 1 1 1 TRP N N 1.328 0.000 0.000 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19471_2md4 1 . 1 . 23 . 1 1 1 TRP NE1 N 5.437 2.683 0.384 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19471_2md4 1 . 1 . 24 . 1 1 1 TRP O O 3.213 -1.995 -0.516 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19471_2md4 1 . 1 . 25 . 1 1 2 LYS C C 6.023 -1.687 -0.326 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19471_2md4 1 . 1 . 26 . 1 1 2 LYS CA C 5.608 -1.358 -1.756 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19471_2md4 1 . 1 . 27 . 1 1 2 LYS CB C 6.744 -0.622 -2.471 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19471_2md4 1 . 1 . 28 . 1 1 2 LYS CD C 8.083 0.606 -0.737 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19471_2md4 1 . 1 . 29 . 1 1 2 LYS CE C 8.815 1.784 -1.362 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19471_2md4 1 . 1 . 30 . 1 1 2 LYS CG C 8.039 -0.586 -1.678 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19471_2md4 1 . 1 . 31 . 1 1 2 LYS H H 4.393 0.302 -2.258 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19471_2md4 1 . 1 . 32 . 1 1 2 LYS HA H 5.401 -2.279 -2.279 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19471_2md4 1 . 1 . 33 . 1 1 2 LYS HB2 H 6.936 -1.112 -3.414 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19471_2md4 1 . 1 . 34 . 1 1 2 LYS HB3 H 6.434 0.396 -2.661 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19471_2md4 1 . 1 . 35 . 1 1 2 LYS HD2 H 7.073 0.907 -0.503 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19471_2md4 1 . 1 . 36 . 1 1 2 LYS HD3 H 8.594 0.317 0.171 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19471_2md4 1 . 1 . 37 . 1 1 2 LYS HE2 H 8.802 1.670 -2.435 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19471_2md4 1 . 1 . 38 . 1 1 2 LYS HE3 H 8.301 2.694 -1.091 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19471_2md4 1 . 1 . 39 . 1 1 2 LYS HG2 H 8.121 -1.493 -1.098 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19471_2md4 1 . 1 . 40 . 1 1 2 LYS HG3 H 8.869 -0.520 -2.367 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19471_2md4 1 . 1 . 41 . 1 1 2 LYS HZ1 H 10.486 2.859 -0.719 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 1 . 42 . 1 1 2 LYS HZ2 H 10.864 1.481 -1.625 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 1 . 43 . 1 1 2 LYS HZ3 H 10.350 1.323 -0.022 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 1 . 44 . 1 1 2 LYS N N 4.394 -0.551 -1.772 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19471_2md4 1 . 1 . 45 . 1 1 2 LYS NZ N 10.228 1.868 -0.900 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19471_2md4 1 . 1 . 46 . 1 1 2 LYS O O 6.540 -2.771 -0.052 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19471_2md4 1 . 1 . 47 . 1 1 3 LEU C C 5.159 -1.888 2.668 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19471_2md4 1 . 1 . 48 . 1 1 3 LEU CA C 6.140 -0.938 1.988 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19471_2md4 1 . 1 . 49 . 1 1 3 LEU CB C 6.155 0.406 2.718 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19471_2md4 1 . 1 . 50 . 1 1 3 LEU CD1 C 5.322 0.044 5.054 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19471_2md4 1 . 1 . 51 . 1 1 3 LEU CD2 C 7.640 -0.660 4.433 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19471_2md4 1 . 1 . 52 . 1 1 3 LEU CG C 6.538 0.362 4.197 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19471_2md4 1 . 1 . 53 . 1 1 3 LEU H H 5.377 0.096 0.306 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19471_2md4 1 . 1 . 54 . 1 1 3 LEU HA H 7.128 -1.371 2.028 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19471_2md4 1 . 1 . 55 . 1 1 3 LEU HB2 H 6.860 1.048 2.213 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19471_2md4 1 . 1 . 56 . 1 1 3 LEU HB3 H 5.165 0.833 2.643 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19471_2md4 1 . 1 . 57 . 1 1 3 LEU HD11 H 5.235 0.777 5.842 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19471_2md4 1 . 1 . 58 . 1 1 3 LEU HD12 H 5.434 -0.939 5.487 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19471_2md4 1 . 1 . 59 . 1 1 3 LEU HD13 H 4.433 0.068 4.440 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19471_2md4 1 . 1 . 60 . 1 1 3 LEU HD21 H 7.793 -0.786 5.494 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19471_2md4 1 . 1 . 61 . 1 1 3 LEU HD22 H 8.555 -0.313 3.975 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19471_2md4 1 . 1 . 62 . 1 1 3 LEU HD23 H 7.355 -1.605 3.995 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19471_2md4 1 . 1 . 63 . 1 1 3 LEU HG H 6.911 1.333 4.495 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19471_2md4 1 . 1 . 64 . 1 1 3 LEU N N 5.792 -0.747 0.584 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19471_2md4 1 . 1 . 65 . 1 1 3 LEU O O 5.418 -2.384 3.765 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19471_2md4 1 . 1 . 66 . 1 1 4 LEU C C 3.126 -4.422 1.932 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19471_2md4 1 . 1 . 67 . 1 1 4 LEU CA C 3.014 -3.031 2.548 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19471_2md4 1 . 1 . 68 . 1 1 4 LEU CB C 1.619 -2.458 2.292 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19471_2md4 1 . 1 . 69 . 1 1 4 LEU CD1 C 1.083 -2.142 4.720 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19471_2md4 1 . 1 . 70 . 1 1 4 LEU CD2 C 1.917 -0.212 3.364 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19471_2md4 1 . 1 . 71 . 1 1 4 LEU CG C 1.087 -1.488 3.347 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19471_2md4 1 . 1 . 72 . 1 1 4 LEU H H 3.883 -1.714 1.139 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19471_2md4 1 . 1 . 73 . 1 1 4 LEU HA H 3.172 -3.109 3.614 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19471_2md4 1 . 1 . 74 . 1 1 4 LEU HB2 H 1.644 -1.938 1.347 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19471_2md4 1 . 1 . 75 . 1 1 4 LEU HB3 H 0.928 -3.288 2.226 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19471_2md4 1 . 1 . 76 . 1 1 4 LEU HD11 H 1.678 -1.553 5.401 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19471_2md4 1 . 1 . 77 . 1 1 4 LEU HD12 H 1.498 -3.136 4.647 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19471_2md4 1 . 1 . 78 . 1 1 4 LEU HD13 H 0.069 -2.202 5.087 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19471_2md4 1 . 1 . 79 . 1 1 4 LEU HD21 H 2.458 -0.147 4.297 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19471_2md4 1 . 1 . 80 . 1 1 4 LEU HD22 H 1.265 0.643 3.266 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19471_2md4 1 . 1 . 81 . 1 1 4 LEU HD23 H 2.617 -0.227 2.541 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19471_2md4 1 . 1 . 82 . 1 1 4 LEU HG H 0.068 -1.221 3.102 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19471_2md4 1 . 1 . 83 . 1 1 4 LEU N N 4.033 -2.138 2.009 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19471_2md4 1 . 1 . 84 . 1 1 4 LEU O O 2.884 -5.429 2.598 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19471_2md4 1 . 1 . 85 . 1 1 5 SER C C 4.988 -6.382 0.257 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19471_2md4 1 . 1 . 86 . 1 1 5 SER CA C 3.640 -5.737 -0.051 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19471_2md4 1 . 1 . 87 . 1 1 5 SER CB C 3.497 -5.523 -1.559 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19471_2md4 1 . 1 . 88 . 1 1 5 SER H H 3.676 -3.633 0.179 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19471_2md4 1 . 1 . 89 . 1 1 5 SER HA H 2.854 -6.396 0.286 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19471_2md4 1 . 1 . 90 . 1 1 5 SER HB2 H 4.345 -4.963 -1.923 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19471_2md4 1 . 1 . 91 . 1 1 5 SER HB3 H 3.459 -6.482 -2.054 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19471_2md4 1 . 1 . 92 . 1 1 5 SER HG H 2.429 -4.329 -2.688 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19471_2md4 1 . 1 . 93 . 1 1 5 SER N N 3.497 -4.470 0.656 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19471_2md4 1 . 1 . 94 . 1 1 5 SER O O 5.105 -7.606 0.320 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19471_2md4 1 . 1 . 95 . 1 1 5 SER OG O 2.313 -4.805 -1.862 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19471_2md4 1 . 1 . 96 . 1 1 6 LYS C C 7.388 -6.697 2.123 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19471_2md4 1 . 1 . 97 . 1 1 6 LYS CA C 7.346 -6.034 0.750 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19471_2md4 1 . 1 . 98 . 1 1 6 LYS CB C 8.352 -4.882 0.698 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19471_2md4 1 . 1 . 99 . 1 1 6 LYS CD C 9.761 -4.450 2.733 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19471_2md4 1 . 1 . 100 . 1 1 6 LYS CE C 10.862 -3.401 2.708 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19471_2md4 1 . 1 . 101 . 1 1 6 LYS CG C 9.661 -5.185 1.406 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19471_2md4 1 . 1 . 102 . 1 1 6 LYS H H 5.850 -4.582 0.384 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19471_2md4 1 . 1 . 103 . 1 1 6 LYS HA H 7.611 -6.765 0.002 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19471_2md4 1 . 1 . 104 . 1 1 6 LYS HB2 H 8.570 -4.656 -0.335 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19471_2md4 1 . 1 . 105 . 1 1 6 LYS HB3 H 7.909 -4.012 1.162 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19471_2md4 1 . 1 . 106 . 1 1 6 LYS HD2 H 8.819 -3.962 2.936 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19471_2md4 1 . 1 . 107 . 1 1 6 LYS HD3 H 9.974 -5.165 3.515 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19471_2md4 1 . 1 . 108 . 1 1 6 LYS HE2 H 11.297 -3.331 3.693 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19471_2md4 1 . 1 . 109 . 1 1 6 LYS HE3 H 11.619 -3.710 2.002 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19471_2md4 1 . 1 . 110 . 1 1 6 LYS HG2 H 9.723 -6.247 1.590 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19471_2md4 1 . 1 . 111 . 1 1 6 LYS HG3 H 10.482 -4.878 0.773 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19471_2md4 1 . 1 . 112 . 1 1 6 LYS HZ1 H 10.371 -1.962 1.275 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 1 . 113 . 1 1 6 LYS HZ2 H 10.927 -1.314 2.736 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 1 . 114 . 1 1 6 LYS HZ3 H 9.363 -1.949 2.633 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 1 . 115 . 1 1 6 LYS N N 6.005 -5.548 0.448 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19471_2md4 1 . 1 . 116 . 1 1 6 LYS NZ N 10.344 -2.063 2.310 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19471_2md4 1 . 1 . 117 . 1 1 6 LYS O O 8.016 -7.741 2.300 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19471_2md4 1 . 1 . 118 . 1 1 7 ALA C C 5.646 -7.743 4.563 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19471_2md4 1 . 1 . 119 . 1 1 7 ALA CA C 6.671 -6.620 4.447 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19471_2md4 1 . 1 . 120 . 1 1 7 ALA CB C 6.357 -5.512 5.441 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19471_2md4 1 . 1 . 121 . 1 1 7 ALA H H 6.232 -5.257 2.889 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19471_2md4 1 . 1 . 122 . 1 1 7 ALA HA H 7.649 -7.014 4.682 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19471_2md4 1 . 1 . 123 . 1 1 7 ALA HB1 H 6.106 -5.947 6.398 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19471_2md4 1 . 1 . 124 . 1 1 7 ALA HB2 H 7.220 -4.872 5.551 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19471_2md4 1 . 1 . 125 . 1 1 7 ALA HB3 H 5.521 -4.931 5.080 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19471_2md4 1 . 1 . 126 . 1 1 7 ALA N N 6.713 -6.086 3.091 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19471_2md4 1 . 1 . 127 . 1 1 7 ALA O O 5.862 -8.721 5.278 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19471_2md4 1 . 1 . 128 . 1 1 8 GLN C C 3.869 -9.830 3.076 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19471_2md4 1 . 1 . 129 . 1 1 8 GLN CA C 3.471 -8.597 3.881 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19471_2md4 1 . 1 . 130 . 1 1 8 GLN CB C 2.171 -8.010 3.329 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19471_2md4 1 . 1 . 131 . 1 1 8 GLN CD C -0.299 -8.452 3.628 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19471_2md4 1 . 1 . 132 . 1 1 8 GLN CG C 1.044 -9.025 3.219 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19471_2md4 1 . 1 . 133 . 1 1 8 GLN H H 4.416 -6.794 3.304 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19471_2md4 1 . 1 . 134 . 1 1 8 GLN HA H 3.316 -8.889 4.909 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19471_2md4 1 . 1 . 135 . 1 1 8 GLN HB2 H 1.846 -7.212 3.979 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19471_2md4 1 . 1 . 136 . 1 1 8 GLN HB3 H 2.361 -7.608 2.345 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19471_2md4 1 . 1 . 137 . 1 1 8 GLN HE21 H 0.234 -8.505 5.542 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19471_2md4 1 . 1 . 138 . 1 1 8 GLN HE22 H -1.350 -7.897 5.220 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19471_2md4 1 . 1 . 139 . 1 1 8 GLN HG2 H 0.978 -9.360 2.195 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19471_2md4 1 . 1 . 140 . 1 1 8 GLN HG3 H 1.270 -9.865 3.858 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19471_2md4 1 . 1 . 141 . 1 1 8 GLN N N 4.530 -7.595 3.855 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19471_2md4 1 . 1 . 142 . 1 1 8 GLN NE2 N -0.492 -8.266 4.928 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19471_2md4 1 . 1 . 143 . 1 1 8 GLN O O 3.433 -10.942 3.370 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19471_2md4 1 . 1 . 144 . 1 1 8 GLN OE1 O -1.153 -8.179 2.784 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19471_2md4 1 . 1 . 145 . 1 1 9 GLU C C 5.762 -11.840 2.048 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19471_2md4 1 . 1 . 146 . 1 1 9 GLU CA C 5.154 -10.719 1.210 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19471_2md4 1 . 1 . 147 . 1 1 9 GLU CB C 6.179 -10.214 0.192 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19471_2md4 1 . 1 . 148 . 1 1 9 GLU CD C 7.367 -10.936 -1.917 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19471_2md4 1 . 1 . 149 . 1 1 9 GLU CG C 6.931 -11.327 -0.518 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19471_2md4 1 . 1 . 150 . 1 1 9 GLU H H 5.012 -8.714 1.873 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19471_2md4 1 . 1 . 151 . 1 1 9 GLU HA H 4.296 -11.106 0.680 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19471_2md4 1 . 1 . 152 . 1 1 9 GLU HB2 H 5.668 -9.620 -0.552 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19471_2md4 1 . 1 . 153 . 1 1 9 GLU HB3 H 6.899 -9.591 0.704 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19471_2md4 1 . 1 . 154 . 1 1 9 GLU HG2 H 7.809 -11.576 0.059 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19471_2md4 1 . 1 . 155 . 1 1 9 GLU HG3 H 6.288 -12.192 -0.585 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19471_2md4 1 . 1 . 156 . 1 1 9 GLU N N 4.699 -9.623 2.058 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19471_2md4 1 . 1 . 157 . 1 1 9 GLU O O 5.590 -13.021 1.745 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19471_2md4 1 . 1 . 158 . 1 1 9 GLU OE1 O 7.327 -9.730 -2.236 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19471_2md4 1 . 1 . 159 . 1 1 9 GLU OE2 O 7.748 -11.838 -2.692 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19471_2md4 1 . 1 . 160 . 1 1 10 LYS C C 6.161 -12.851 5.105 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19471_2md4 1 . 1 . 161 . 1 1 10 LYS CA C 7.109 -12.432 3.987 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19471_2md4 1 . 1 . 162 . 1 1 10 LYS CB C 8.392 -11.847 4.584 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19471_2md4 1 . 1 . 163 . 1 1 10 LYS CD C 8.624 -9.381 5.003 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19471_2md4 1 . 1 . 164 . 1 1 10 LYS CE C 10.133 -9.367 4.814 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19471_2md4 1 . 1 . 165 . 1 1 10 LYS CG C 8.145 -10.711 5.561 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19471_2md4 1 . 1 . 166 . 1 1 10 LYS H H 6.576 -10.504 3.293 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19471_2md4 1 . 1 . 167 . 1 1 10 LYS HA H 7.360 -13.302 3.399 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19471_2md4 1 . 1 . 168 . 1 1 10 LYS HB2 H 8.923 -12.632 5.102 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19471_2md4 1 . 1 . 169 . 1 1 10 LYS HB3 H 9.011 -11.475 3.780 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19471_2md4 1 . 1 . 170 . 1 1 10 LYS HD2 H 8.151 -9.211 4.048 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19471_2md4 1 . 1 . 171 . 1 1 10 LYS HD3 H 8.348 -8.593 5.689 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19471_2md4 1 . 1 . 172 . 1 1 10 LYS HE2 H 10.389 -10.053 4.021 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19471_2md4 1 . 1 . 173 . 1 1 10 LYS HE3 H 10.438 -8.368 4.539 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19471_2md4 1 . 1 . 174 . 1 1 10 LYS HG2 H 7.086 -10.645 5.762 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19471_2md4 1 . 1 . 175 . 1 1 10 LYS HG3 H 8.675 -10.918 6.480 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19471_2md4 1 . 1 . 176 . 1 1 10 LYS HZ1 H 10.433 -9.295 6.880 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 1 . 177 . 1 1 10 LYS HZ2 H 11.855 -9.506 5.987 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 1 . 178 . 1 1 10 LYS HZ3 H 10.783 -10.799 6.189 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 1 . 179 . 1 1 10 LYS N N 6.475 -11.461 3.103 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19471_2md4 1 . 1 . 180 . 1 1 10 LYS NZ N 10.851 -9.770 6.055 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19471_2md4 1 . 1 . 181 . 1 1 10 LYS O O 6.573 -13.483 6.078 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19471_2md4 1 . 1 . 182 . 1 1 11 PHE C C 2.777 -13.693 5.346 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19471_2md4 1 . 1 . 183 . 1 1 11 PHE CA C 3.881 -12.835 5.958 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19471_2md4 1 . 1 . 184 . 1 1 11 PHE CB C 3.280 -11.564 6.560 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19471_2md4 1 . 1 . 185 . 1 1 11 PHE CD1 C 5.356 -11.326 7.949 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19471_2md4 1 . 1 . 186 . 1 1 11 PHE CD2 C 4.126 -9.357 7.404 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19471_2md4 1 . 1 . 187 . 1 1 11 PHE CE1 C 6.272 -10.563 8.649 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19471_2md4 1 . 1 . 188 . 1 1 11 PHE CE2 C 5.039 -8.589 8.103 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19471_2md4 1 . 1 . 189 . 1 1 11 PHE CG C 4.274 -10.732 7.320 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19471_2md4 1 . 1 . 190 . 1 1 11 PHE CZ C 6.114 -9.193 8.725 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19471_2md4 1 . 1 . 191 . 1 1 11 PHE H H 4.621 -11.992 4.162 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19471_2md4 1 . 1 . 192 . 1 1 11 PHE HA H 4.367 -13.399 6.740 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19471_2md4 1 . 1 . 193 . 1 1 11 PHE HB2 H 2.876 -10.954 5.766 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19471_2md4 1 . 1 . 194 . 1 1 11 PHE HB3 H 2.486 -11.836 7.239 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19471_2md4 1 . 1 . 195 . 1 1 11 PHE HD1 H 5.482 -12.397 7.890 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19471_2md4 1 . 1 . 196 . 1 1 11 PHE HD2 H 3.286 -8.883 6.917 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19471_2md4 1 . 1 . 197 . 1 1 11 PHE HE1 H 7.112 -11.038 9.135 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19471_2md4 1 . 1 . 198 . 1 1 11 PHE HE2 H 4.912 -7.518 8.160 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19471_2md4 1 . 1 . 199 . 1 1 11 PHE HZ H 6.828 -8.595 9.272 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19471_2md4 1 . 1 . 200 . 1 1 11 PHE N N 4.888 -12.495 4.960 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19471_2md4 1 . 1 . 201 . 1 1 11 PHE O O 2.200 -14.551 6.014 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19471_2md4 1 . 1 . 202 . 1 1 12 GLY C C 1.918 -15.595 2.988 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19471_2md4 1 . 1 . 203 . 1 1 12 GLY CA C 1.453 -14.210 3.390 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19471_2md4 1 . 1 . 204 . 1 1 12 GLY H H 2.980 -12.756 3.589 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19471_2md4 1 . 1 . 205 . 1 1 12 GLY HA2 H 0.600 -14.304 4.045 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19471_2md4 1 . 1 . 206 . 1 1 12 GLY HA3 H 1.155 -13.672 2.502 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19471_2md4 1 . 1 . 207 . 1 1 12 GLY N N 2.487 -13.453 4.071 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19471_2md4 1 . 1 . 208 . 1 1 12 GLY O O 3.045 -15.768 2.522 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19471_2md4 1 . 2 . 209 . 1 1 1 TRP C C 3.427 -0.951 -1.182 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19471_2md4 1 . 2 . 210 . 1 1 1 TRP CA C 2.237 -0.007 -1.310 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19471_2md4 1 . 2 . 211 . 1 1 1 TRP CB C 2.724 1.404 -1.646 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19471_2md4 1 . 2 . 212 . 1 1 1 TRP CD1 C 5.023 2.150 -0.795 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19471_2md4 1 . 2 . 213 . 1 1 1 TRP CD2 C 3.368 2.391 0.694 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19471_2md4 1 . 2 . 214 . 1 1 1 TRP CE2 C 4.569 2.834 1.282 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19471_2md4 1 . 2 . 215 . 1 1 1 TRP CE3 C 2.190 2.449 1.444 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19471_2md4 1 . 2 . 216 . 1 1 1 TRP CG C 3.681 1.959 -0.634 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19471_2md4 1 . 2 . 217 . 1 1 1 TRP CH2 C 3.455 3.372 3.294 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19471_2md4 1 . 2 . 218 . 1 1 1 TRP CZ2 C 4.623 3.326 2.583 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19471_2md4 1 . 2 . 219 . 1 1 1 TRP CZ3 C 2.245 2.938 2.735 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19471_2md4 1 . 2 . 220 . 1 1 1 TRP H1 H 1.913 0.014 0.782 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19471_2md4 1 . 2 . 221 . 1 1 1 TRP HA H 1.599 -0.357 -2.108 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19471_2md4 1 . 2 . 222 . 1 1 1 TRP HB2 H 3.223 1.388 -2.603 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19471_2md4 1 . 2 . 223 . 1 1 1 TRP HB3 H 1.872 2.067 -1.699 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19471_2md4 1 . 2 . 224 . 1 1 1 TRP HD1 H 5.567 1.917 -1.697 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19471_2md4 1 . 2 . 225 . 1 1 1 TRP HE1 H 6.508 2.903 0.486 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19471_2md4 1 . 2 . 226 . 1 1 1 TRP HE3 H 1.248 2.120 1.031 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19471_2md4 1 . 2 . 227 . 1 1 1 TRP HH2 H 3.451 3.746 4.307 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19471_2md4 1 . 2 . 228 . 1 1 1 TRP HZ2 H 5.547 3.665 3.028 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19471_2md4 1 . 2 . 229 . 1 1 1 TRP HZ3 H 1.345 2.990 3.330 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19471_2md4 1 . 2 . 230 . 1 1 1 TRP N N 1.450 0.008 -0.082 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19471_2md4 1 . 2 . 231 . 1 1 1 TRP NE1 N 5.564 2.676 0.354 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19471_2md4 1 . 2 . 232 . 1 1 1 TRP O O 3.335 -2.000 -0.544 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19471_2md4 1 . 2 . 233 . 1 1 2 LYS C C 6.142 -1.703 -0.304 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19471_2md4 1 . 2 . 234 . 1 1 2 LYS CA C 5.756 -1.385 -1.745 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19471_2md4 1 . 2 . 235 . 1 1 2 LYS CB C 6.908 -0.661 -2.445 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19471_2md4 1 . 2 . 236 . 1 1 2 LYS CD C 8.221 0.576 -0.698 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19471_2md4 1 . 2 . 237 . 1 1 2 LYS CE C 8.970 1.744 -1.320 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19471_2md4 1 . 2 . 238 . 1 1 2 LYS CG C 8.188 -0.624 -1.629 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19471_2md4 1 . 2 . 239 . 1 1 2 LYS H H 4.558 0.275 -2.285 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19471_2md4 1 . 2 . 240 . 1 1 2 LYS HA H 5.555 -2.310 -2.263 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19471_2md4 1 . 2 . 241 . 1 1 2 LYS HB2 H 7.116 -1.161 -3.380 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19471_2md4 1 . 2 . 242 . 1 1 2 LYS HB3 H 6.607 0.356 -2.650 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19471_2md4 1 . 2 . 243 . 1 1 2 LYS HD2 H 7.208 0.884 -0.486 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19471_2md4 1 . 2 . 244 . 1 1 2 LYS HD3 H 8.713 0.293 0.223 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19471_2md4 1 . 2 . 245 . 1 1 2 LYS HE2 H 9.515 2.260 -0.544 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19471_2md4 1 . 2 . 246 . 1 1 2 LYS HE3 H 9.665 1.361 -2.052 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19471_2md4 1 . 2 . 247 . 1 1 2 LYS HG2 H 8.255 -1.526 -1.039 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19471_2md4 1 . 2 . 248 . 1 1 2 LYS HG3 H 9.032 -0.569 -2.303 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19471_2md4 1 . 2 . 249 . 1 1 2 LYS HZ1 H 8.589 3.406 -2.527 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 2 . 250 . 1 1 2 LYS HZ2 H 7.474 3.201 -1.271 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 2 . 251 . 1 1 2 LYS HZ3 H 7.410 2.199 -2.632 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 2 . 252 . 1 1 2 LYS N N 4.546 -0.573 -1.792 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19471_2md4 1 . 2 . 253 . 1 1 2 LYS NZ N 8.046 2.705 -1.984 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19471_2md4 1 . 2 . 254 . 1 1 2 LYS O O 6.649 -2.787 -0.011 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19471_2md4 1 . 2 . 255 . 1 1 3 LEU C C 5.222 -1.872 2.674 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19471_2md4 1 . 2 . 256 . 1 1 3 LEU CA C 6.220 -0.933 2.004 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19471_2md4 1 . 2 . 257 . 1 1 3 LEU CB C 6.228 0.418 2.721 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19471_2md4 1 . 2 . 258 . 1 1 3 LEU CD1 C 5.350 0.082 5.045 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19471_2md4 1 . 2 . 259 . 1 1 3 LEU CD2 C 7.676 -0.639 4.474 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19471_2md4 1 . 2 . 260 . 1 1 3 LEU CG C 6.583 0.386 4.208 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19471_2md4 1 . 2 . 261 . 1 1 3 LEU H H 5.493 0.089 0.299 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19471_2md4 1 . 2 . 262 . 1 1 3 LEU HA H 7.205 -1.370 2.066 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19471_2md4 1 . 2 . 263 . 1 1 3 LEU HB2 H 6.945 1.052 2.224 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19471_2md4 1 . 2 . 264 . 1 1 3 LEU HB3 H 5.241 0.849 2.625 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19471_2md4 1 . 2 . 265 . 1 1 3 LEU HD11 H 5.449 -0.897 5.489 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19471_2md4 1 . 2 . 266 . 1 1 3 LEU HD12 H 4.473 0.105 4.415 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19471_2md4 1 . 2 . 267 . 1 1 3 LEU HD13 H 5.252 0.824 5.824 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19471_2md4 1 . 2 . 268 . 1 1 3 LEU HD21 H 7.809 -0.755 5.539 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19471_2md4 1 . 2 . 269 . 1 1 3 LEU HD22 H 8.601 -0.301 4.030 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19471_2md4 1 . 2 . 270 . 1 1 3 LEU HD23 H 7.394 -1.587 4.039 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19471_2md4 1 . 2 . 271 . 1 1 3 LEU HG H 6.955 1.358 4.504 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19471_2md4 1 . 2 . 272 . 1 1 3 LEU N N 5.899 -0.753 0.592 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19471_2md4 1 . 2 . 273 . 1 1 3 LEU O O 5.458 -2.359 3.781 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19471_2md4 1 . 2 . 274 . 1 1 4 LEU C C 3.191 -4.404 1.924 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19471_2md4 1 . 2 . 275 . 1 1 4 LEU CA C 3.074 -3.007 2.525 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19471_2md4 1 . 2 . 276 . 1 1 4 LEU CB C 1.686 -2.430 2.237 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19471_2md4 1 . 2 . 277 . 1 1 4 LEU CD1 C 1.105 -2.088 4.651 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19471_2md4 1 . 2 . 278 . 1 1 4 LEU CD2 C 1.976 -0.175 3.295 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19471_2md4 1 . 2 . 279 . 1 1 4 LEU CG C 1.140 -1.447 3.273 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19471_2md4 1 . 2 . 280 . 1 1 4 LEU H H 3.976 -1.706 1.120 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19471_2md4 1 . 2 . 281 . 1 1 4 LEU HA H 3.211 -3.075 3.594 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19471_2md4 1 . 2 . 282 . 1 1 4 LEU HB2 H 1.732 -1.918 1.288 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19471_2md4 1 . 2 . 283 . 1 1 4 LEU HB3 H 0.994 -3.257 2.166 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19471_2md4 1 . 2 . 284 . 1 1 4 LEU HD11 H 1.519 -3.084 4.596 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19471_2md4 1 . 2 . 285 . 1 1 4 LEU HD12 H 0.084 -2.141 4.998 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19471_2md4 1 . 2 . 286 . 1 1 4 LEU HD13 H 1.688 -1.493 5.340 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19471_2md4 1 . 2 . 287 . 1 1 4 LEU HD21 H 1.330 0.682 3.178 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19471_2md4 1 . 2 . 288 . 1 1 4 LEU HD22 H 2.690 -0.201 2.485 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19471_2md4 1 . 2 . 289 . 1 1 4 LEU HD23 H 2.501 -0.106 4.236 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19471_2md4 1 . 2 . 290 . 1 1 4 LEU HG H 0.127 -1.178 3.005 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19471_2md4 1 . 2 . 291 . 1 1 4 LEU N N 4.107 -2.124 1.997 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19471_2md4 1 . 2 . 292 . 1 1 4 LEU O O 2.932 -5.403 2.595 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19471_2md4 1 . 2 . 293 . 1 1 5 SER C C 5.075 -6.387 0.303 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19471_2md4 1 . 2 . 294 . 1 1 5 SER CA C 3.736 -5.740 -0.036 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19471_2md4 1 . 2 . 295 . 1 1 5 SER CB C 3.622 -5.539 -1.548 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19471_2md4 1 . 2 . 296 . 1 1 5 SER H H 3.777 -3.634 0.175 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19471_2md4 1 . 2 . 297 . 1 1 5 SER HA H 2.941 -6.392 0.293 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19471_2md4 1 . 2 . 298 . 1 1 5 SER HB2 H 4.479 -4.987 -1.901 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19471_2md4 1 . 2 . 299 . 1 1 5 SER HB3 H 3.589 -6.504 -2.035 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19471_2md4 1 . 2 . 300 . 1 1 5 SER HG H 1.696 -5.418 -1.886 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19471_2md4 1 . 2 . 301 . 1 1 5 SER N N 3.585 -4.465 0.656 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19471_2md4 1 . 2 . 302 . 1 1 5 SER O O 5.185 -7.611 0.380 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19471_2md4 1 . 2 . 303 . 1 1 5 SER OG O 2.447 -4.820 -1.880 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19471_2md4 1 . 2 . 304 . 1 1 6 LYS C C 7.438 -6.696 2.217 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19471_2md4 1 . 2 . 305 . 1 1 6 LYS CA C 7.425 -6.045 0.837 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19471_2md4 1 . 2 . 306 . 1 1 6 LYS CB C 8.437 -4.898 0.794 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19471_2md4 1 . 2 . 307 . 1 1 6 LYS CD C 9.809 -4.453 2.850 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19471_2md4 1 . 2 . 308 . 1 1 6 LYS CE C 10.915 -3.410 2.837 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19471_2md4 1 . 2 . 309 . 1 1 6 LYS CG C 9.731 -5.200 1.529 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19471_2md4 1 . 2 . 310 . 1 1 6 LYS H H 5.942 -4.591 0.430 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19471_2md4 1 . 2 . 311 . 1 1 6 LYS HA H 7.701 -6.785 0.101 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19471_2md4 1 . 2 . 312 . 1 1 6 LYS HB2 H 8.675 -4.683 -0.237 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19471_2md4 1 . 2 . 313 . 1 1 6 LYS HB3 H 7.989 -4.022 1.241 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19471_2md4 1 . 2 . 314 . 1 1 6 LYS HD2 H 8.866 -3.959 3.031 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19471_2md4 1 . 2 . 315 . 1 1 6 LYS HD3 H 10.004 -5.162 3.643 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19471_2md4 1 . 2 . 316 . 1 1 6 LYS HE2 H 11.760 -3.806 2.294 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19471_2md4 1 . 2 . 317 . 1 1 6 LYS HE3 H 10.550 -2.524 2.338 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19471_2md4 1 . 2 . 318 . 1 1 6 LYS HG2 H 9.785 -6.261 1.724 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19471_2md4 1 . 2 . 319 . 1 1 6 LYS HG3 H 10.565 -4.903 0.909 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19471_2md4 1 . 2 . 320 . 1 1 6 LYS HZ1 H 12.244 -2.514 4.176 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 2 . 321 . 1 1 6 LYS HZ2 H 11.496 -3.905 4.781 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 2 . 322 . 1 1 6 LYS HZ3 H 10.628 -2.458 4.674 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 2 . 323 . 1 1 6 LYS N N 6.092 -5.557 0.505 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19471_2md4 1 . 2 . 324 . 1 1 6 LYS NZ N 11.352 -3.046 4.213 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19471_2md4 1 . 2 . 325 . 1 1 6 LYS O O 8.058 -7.741 2.415 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19471_2md4 1 . 2 . 326 . 1 1 7 ALA C C 5.645 -7.711 4.633 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19471_2md4 1 . 2 . 327 . 1 1 7 ALA CA C 6.678 -6.594 4.526 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19471_2md4 1 . 2 . 328 . 1 1 7 ALA CB C 6.351 -5.475 5.504 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19471_2md4 1 . 2 . 329 . 1 1 7 ALA H H 6.275 -5.244 2.947 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19471_2md4 1 . 2 . 330 . 1 1 7 ALA HA H 7.650 -6.990 4.783 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19471_2md4 1 . 2 . 331 . 1 1 7 ALA HB1 H 7.215 -4.837 5.621 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19471_2md4 1 . 2 . 332 . 1 1 7 ALA HB2 H 5.524 -4.895 5.123 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19471_2md4 1 . 2 . 333 . 1 1 7 ALA HB3 H 6.084 -5.899 6.460 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19471_2md4 1 . 2 . 334 . 1 1 7 ALA N N 6.748 -6.073 3.167 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19471_2md4 1 . 2 . 335 . 1 1 7 ALA O O 5.843 -8.683 5.361 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19471_2md4 1 . 2 . 336 . 1 1 8 GLN C C 3.886 -9.803 3.133 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19471_2md4 1 . 2 . 337 . 1 1 8 GLN CA C 3.480 -8.561 3.919 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19471_2md4 1 . 2 . 338 . 1 1 8 GLN CB C 2.193 -7.973 3.337 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19471_2md4 1 . 2 . 339 . 1 1 8 GLN CD C -0.285 -8.396 3.585 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19471_2md4 1 . 2 . 340 . 1 1 8 GLN CG C 1.063 -8.983 3.217 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19471_2md4 1 . 2 . 341 . 1 1 8 GLN H H 4.444 -6.767 3.343 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19471_2md4 1 . 2 . 342 . 1 1 8 GLN HA H 3.304 -8.842 4.946 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19471_2md4 1 . 2 . 343 . 1 1 8 GLN HB2 H 1.860 -7.167 3.973 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19471_2md4 1 . 2 . 344 . 1 1 8 GLN HB3 H 2.403 -7.582 2.353 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19471_2md4 1 . 2 . 345 . 1 1 8 GLN HE21 H -0.486 -9.720 5.056 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19471_2md4 1 . 2 . 346 . 1 1 8 GLN HE22 H -1.792 -8.605 4.865 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19471_2md4 1 . 2 . 347 . 1 1 8 GLN HG2 H 1.018 -9.334 2.197 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19471_2md4 1 . 2 . 348 . 1 1 8 GLN HG3 H 1.270 -9.815 3.874 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19471_2md4 1 . 2 . 349 . 1 1 8 GLN N N 4.544 -7.564 3.904 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19471_2md4 1 . 2 . 350 . 1 1 8 GLN NE2 N -0.920 -8.965 4.604 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19471_2md4 1 . 2 . 351 . 1 1 8 GLN O O 3.439 -10.910 3.429 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19471_2md4 1 . 2 . 352 . 1 1 8 GLN OE1 O -0.752 -7.443 2.961 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19471_2md4 1 . 2 . 353 . 1 1 9 GLU C C 5.788 -11.832 2.160 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19471_2md4 1 . 2 . 354 . 1 1 9 GLU CA C 5.202 -10.716 1.300 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19471_2md4 1 . 2 . 355 . 1 1 9 GLU CB C 6.250 -10.226 0.298 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19471_2md4 1 . 2 . 356 . 1 1 9 GLU CD C 7.517 -10.957 -1.761 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19471_2md4 1 . 2 . 357 . 1 1 9 GLU CG C 7.009 -11.349 -0.387 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19471_2md4 1 . 2 . 358 . 1 1 9 GLU H H 5.059 -8.704 1.942 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19471_2md4 1 . 2 . 359 . 1 1 9 GLU HA H 4.353 -11.104 0.758 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19471_2md4 1 . 2 . 360 . 1 1 9 GLU HB2 H 5.757 -9.636 -0.461 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19471_2md4 1 . 2 . 361 . 1 1 9 GLU HB3 H 6.963 -9.603 0.818 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19471_2md4 1 . 2 . 362 . 1 1 9 GLU HG2 H 7.854 -11.622 0.227 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19471_2md4 1 . 2 . 363 . 1 1 9 GLU HG3 H 6.352 -12.200 -0.491 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19471_2md4 1 . 2 . 364 . 1 1 9 GLU N N 4.737 -9.610 2.129 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19471_2md4 1 . 2 . 365 . 1 1 9 GLU O O 5.616 -13.015 1.865 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19471_2md4 1 . 2 . 366 . 1 1 9 GLU OE1 O 8.596 -10.332 -1.838 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19471_2md4 1 . 2 . 367 . 1 1 9 GLU OE2 O 6.836 -11.274 -2.758 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19471_2md4 1 . 2 . 368 . 1 1 10 LYS C C 6.122 -12.816 5.235 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19471_2md4 1 . 2 . 369 . 1 1 10 LYS CA C 7.094 -12.413 4.130 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19471_2md4 1 . 2 . 370 . 1 1 10 LYS CB C 8.369 -11.831 4.745 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19471_2md4 1 . 2 . 371 . 1 1 10 LYS CD C 8.605 -9.361 5.139 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19471_2md4 1 . 2 . 372 . 1 1 10 LYS CE C 10.117 -9.358 4.969 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19471_2md4 1 . 2 . 373 . 1 1 10 LYS CG C 8.111 -10.682 5.705 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19471_2md4 1 . 2 . 374 . 1 1 10 LYS H H 6.585 -10.489 3.409 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19471_2md4 1 . 2 . 375 . 1 1 10 LYS HA H 7.350 -13.290 3.556 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19471_2md4 1 . 2 . 376 . 1 1 10 LYS HB2 H 8.885 -12.613 5.283 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19471_2md4 1 . 2 . 377 . 1 1 10 LYS HB3 H 9.006 -11.471 3.950 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19471_2md4 1 . 2 . 378 . 1 1 10 LYS HD2 H 8.146 -9.197 4.176 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19471_2md4 1 . 2 . 379 . 1 1 10 LYS HD3 H 8.326 -8.564 5.814 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19471_2md4 1 . 2 . 380 . 1 1 10 LYS HE2 H 10.514 -8.457 5.411 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19471_2md4 1 . 2 . 381 . 1 1 10 LYS HE3 H 10.525 -10.219 5.479 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19471_2md4 1 . 2 . 382 . 1 1 10 LYS HG2 H 7.050 -10.608 5.887 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19471_2md4 1 . 2 . 383 . 1 1 10 LYS HG3 H 8.625 -10.880 6.635 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19471_2md4 1 . 2 . 384 . 1 1 10 LYS HZ1 H 11.422 -8.924 3.397 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 2 . 385 . 1 1 10 LYS HZ2 H 9.791 -8.947 2.947 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 2 . 386 . 1 1 10 LYS HZ3 H 10.612 -10.399 3.227 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 2 . 387 . 1 1 10 LYS N N 6.483 -11.447 3.226 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19471_2md4 1 . 2 . 388 . 1 1 10 LYS NZ N 10.514 -9.411 3.535 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19471_2md4 1 . 2 . 389 . 1 1 10 LYS O O 6.513 -13.438 6.223 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19471_2md4 1 . 2 . 390 . 1 1 11 PHE C C 2.731 -13.641 5.420 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19471_2md4 1 . 2 . 391 . 1 1 11 PHE CA C 3.827 -12.781 6.043 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19471_2md4 1 . 2 . 392 . 1 1 11 PHE CB C 3.220 -11.500 6.620 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19471_2md4 1 . 2 . 393 . 1 1 11 PHE CD1 C 5.266 -11.259 8.052 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19471_2md4 1 . 2 . 394 . 1 1 11 PHE CD2 C 4.061 -9.289 7.456 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19471_2md4 1 . 2 . 395 . 1 1 11 PHE CE1 C 6.170 -10.494 8.764 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19471_2md4 1 . 2 . 396 . 1 1 11 PHE CE2 C 4.963 -8.519 8.166 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19471_2md4 1 . 2 . 397 . 1 1 11 PHE CG C 4.202 -10.666 7.392 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19471_2md4 1 . 2 . 398 . 1 1 11 PHE CZ C 6.020 -9.122 8.820 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19471_2md4 1 . 2 . 399 . 1 1 11 PHE H H 4.605 -11.962 4.253 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19471_2md4 1 . 2 . 400 . 1 1 11 PHE HA H 4.295 -13.338 6.840 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19471_2md4 1 . 2 . 401 . 1 1 11 PHE HB2 H 2.836 -10.897 5.811 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19471_2md4 1 . 2 . 402 . 1 1 11 PHE HB3 H 2.410 -11.762 7.284 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19471_2md4 1 . 2 . 403 . 1 1 11 PHE HD1 H 5.386 -12.332 8.008 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19471_2md4 1 . 2 . 404 . 1 1 11 PHE HD2 H 3.235 -8.816 6.945 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19471_2md4 1 . 2 . 405 . 1 1 11 PHE HE1 H 6.996 -10.968 9.274 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19471_2md4 1 . 2 . 406 . 1 1 11 PHE HE2 H 4.842 -7.447 8.208 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19471_2md4 1 . 2 . 407 . 1 1 11 PHE HZ H 6.725 -8.522 9.375 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19471_2md4 1 . 2 . 408 . 1 1 11 PHE N N 4.855 -12.457 5.061 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19471_2md4 1 . 2 . 409 . 1 1 11 PHE O O 2.138 -14.489 6.085 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19471_2md4 1 . 2 . 410 . 1 1 12 GLY C C 1.827 -15.629 3.259 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19471_2md4 1 . 2 . 411 . 1 1 12 GLY CA C 1.443 -14.174 3.444 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19471_2md4 1 . 2 . 412 . 1 1 12 GLY H H 2.972 -12.725 3.656 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19471_2md4 1 . 2 . 413 . 1 1 12 GLY HA2 H 0.526 -14.124 4.013 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19471_2md4 1 . 2 . 414 . 1 1 12 GLY HA3 H 1.277 -13.732 2.473 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19471_2md4 1 . 2 . 415 . 1 1 12 GLY N N 2.467 -13.414 4.137 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19471_2md4 1 . 2 . 416 . 1 1 12 GLY O O 2.051 -16.081 2.136 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19471_2md4 1 . 3 . 417 . 1 1 1 TRP C C 3.268 -0.944 -1.184 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19471_2md4 1 . 3 . 418 . 1 1 1 TRP CA C 2.068 -0.006 -1.256 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19471_2md4 1 . 3 . 419 . 1 1 1 TRP CB C 2.534 1.413 -1.587 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19471_2md4 1 . 3 . 420 . 1 1 1 TRP CD1 C 4.858 2.160 -0.808 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19471_2md4 1 . 3 . 421 . 1 1 1 TRP CD2 C 3.256 2.370 0.742 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19471_2md4 1 . 3 . 422 . 1 1 1 TRP CE2 C 4.475 2.811 1.293 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19471_2md4 1 . 3 . 423 . 1 1 1 TRP CE3 C 2.106 2.410 1.535 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19471_2md4 1 . 3 . 424 . 1 1 1 TRP CG C 3.523 1.958 -0.603 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19471_2md4 1 . 3 . 425 . 1 1 1 TRP CH2 C 3.432 3.313 3.352 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19471_2md4 1 . 3 . 426 . 1 1 1 TRP CZ2 C 4.574 3.284 2.599 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19471_2md4 1 . 3 . 427 . 1 1 1 TRP CZ3 C 2.205 2.880 2.830 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19471_2md4 1 . 3 . 428 . 1 1 1 TRP H1 H 1.817 -0.015 0.846 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19471_2md4 1 . 3 . 429 . 1 1 1 TRP HA H 1.404 -0.348 -2.036 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19471_2md4 1 . 3 . 430 . 1 1 1 TRP HB2 H 2.998 1.414 -2.562 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19471_2md4 1 . 3 . 431 . 1 1 1 TRP HB3 H 1.677 2.071 -1.599 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19471_2md4 1 . 3 . 432 . 1 1 1 TRP HD1 H 5.370 1.942 -1.733 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19471_2md4 1 . 3 . 433 . 1 1 1 TRP HE1 H 6.385 2.902 0.429 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19471_2md4 1 . 3 . 434 . 1 1 1 TRP HE3 H 1.151 2.081 1.150 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19471_2md4 1 . 3 . 435 . 1 1 1 TRP HH2 H 3.463 3.672 4.369 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19471_2md4 1 . 3 . 436 . 1 1 1 TRP HZ2 H 5.512 3.622 3.015 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19471_2md4 1 . 3 . 437 . 1 1 1 TRP HZ3 H 1.327 2.919 3.458 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19471_2md4 1 . 3 . 438 . 1 1 1 TRP N N 1.324 -0.014 -0.001 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19471_2md4 1 . 3 . 439 . 1 1 1 TRP NE1 N 5.437 2.672 0.328 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19471_2md4 1 . 3 . 440 . 1 1 1 TRP O O 3.204 -2.002 -0.558 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19471_2md4 1 . 3 . 441 . 1 1 2 LYS C C 6.014 -1.695 -0.415 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19471_2md4 1 . 3 . 442 . 1 1 2 LYS CA C 5.576 -1.356 -1.837 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19471_2md4 1 . 3 . 443 . 1 1 2 LYS CB C 6.700 -0.613 -2.564 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19471_2md4 1 . 3 . 444 . 1 1 2 LYS CD C 8.064 0.618 -0.851 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19471_2md4 1 . 3 . 445 . 1 1 2 LYS CE C 8.763 1.803 -1.499 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19471_2md4 1 . 3 . 446 . 1 1 2 LYS CG C 8.005 -0.576 -1.789 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19471_2md4 1 . 3 . 447 . 1 1 2 LYS H H 4.350 0.304 -2.310 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19471_2md4 1 . 3 . 448 . 1 1 2 LYS HA H 5.363 -2.273 -2.364 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19471_2md4 1 . 3 . 449 . 1 1 2 LYS HB2 H 6.881 -1.098 -3.511 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19471_2md4 1 . 3 . 450 . 1 1 2 LYS HB3 H 6.384 0.405 -2.745 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19471_2md4 1 . 3 . 451 . 1 1 2 LYS HD2 H 7.057 0.909 -0.589 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19471_2md4 1 . 3 . 452 . 1 1 2 LYS HD3 H 8.603 0.337 0.043 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19471_2md4 1 . 3 . 453 . 1 1 2 LYS HE2 H 8.709 1.694 -2.571 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19471_2md4 1 . 3 . 454 . 1 1 2 LYS HE3 H 8.256 2.709 -1.203 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19471_2md4 1 . 3 . 455 . 1 1 2 LYS HG2 H 8.094 -1.481 -1.207 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19471_2md4 1 . 3 . 456 . 1 1 2 LYS HG3 H 8.827 -0.513 -2.488 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19471_2md4 1 . 3 . 457 . 1 1 2 LYS HZ1 H 10.765 1.223 -1.646 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 3 . 458 . 1 1 2 LYS HZ2 H 10.292 1.665 -0.083 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 3 . 459 . 1 1 2 LYS HZ3 H 10.551 2.855 -1.256 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 3 . 460 . 1 1 2 LYS N N 4.361 -0.551 -1.829 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19471_2md4 1 . 3 . 461 . 1 1 2 LYS NZ N 10.193 1.892 -1.093 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19471_2md4 1 . 3 . 462 . 1 1 2 LYS O O 6.529 -2.783 -0.156 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19471_2md4 1 . 3 . 463 . 1 1 3 LEU C C 5.209 -1.915 2.588 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19471_2md4 1 . 3 . 464 . 1 1 3 LEU CA C 6.176 -0.958 1.899 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19471_2md4 1 . 3 . 465 . 1 1 3 LEU CB C 6.199 0.381 2.638 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19471_2md4 1 . 3 . 466 . 1 1 3 LEU CD1 C 5.398 -0.005 4.982 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19471_2md4 1 . 3 . 467 . 1 1 3 LEU CD2 C 7.712 -0.691 4.326 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19471_2md4 1 . 3 . 468 . 1 1 3 LEU CG C 6.601 0.327 4.113 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19471_2md4 1 . 3 . 469 . 1 1 3 LEU H H 5.391 0.089 0.236 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19471_2md4 1 . 3 . 470 . 1 1 3 LEU HA H 7.166 -1.389 1.920 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19471_2md4 1 . 3 . 471 . 1 1 3 LEU HB2 H 6.898 1.028 2.129 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19471_2md4 1 . 3 . 472 . 1 1 3 LEU HB3 H 5.208 0.808 2.580 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19471_2md4 1 . 3 . 473 . 1 1 3 LEU HD11 H 5.517 -0.993 5.399 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19471_2md4 1 . 3 . 474 . 1 1 3 LEU HD12 H 4.501 0.027 4.382 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19471_2md4 1 . 3 . 475 . 1 1 3 LEU HD13 H 5.322 0.717 5.781 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19471_2md4 1 . 3 . 476 . 1 1 3 LEU HD21 H 7.880 -0.825 5.384 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19471_2md4 1 . 3 . 477 . 1 1 3 LEU HD22 H 8.619 -0.335 3.859 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19471_2md4 1 . 3 . 478 . 1 1 3 LEU HD23 H 7.426 -1.634 3.883 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19471_2md4 1 . 3 . 479 . 1 1 3 LEU HG H 6.972 1.297 4.414 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19471_2md4 1 . 3 . 480 . 1 1 3 LEU N N 5.805 -0.758 0.503 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19471_2md4 1 . 3 . 481 . 1 1 3 LEU O O 5.494 -2.431 3.669 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19471_2md4 1 . 3 . 482 . 1 1 4 LEU C C 3.166 -4.437 1.884 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19471_2md4 1 . 3 . 483 . 1 1 4 LEU CA C 3.056 -3.048 2.504 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19471_2md4 1 . 3 . 484 . 1 1 4 LEU CB C 1.656 -2.480 2.265 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19471_2md4 1 . 3 . 485 . 1 1 4 LEU CD1 C 1.132 -2.175 4.698 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19471_2md4 1 . 3 . 486 . 1 1 4 LEU CD2 C 1.968 -0.241 3.349 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19471_2md4 1 . 3 . 487 . 1 1 4 LEU CG C 1.133 -1.513 3.328 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19471_2md4 1 . 3 . 488 . 1 1 4 LEU H H 3.895 -1.710 1.095 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19471_2md4 1 . 3 . 489 . 1 1 4 LEU HA H 3.227 -3.127 3.567 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19471_2md4 1 . 3 . 490 . 1 1 4 LEU HB2 H 1.667 -1.958 1.321 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19471_2md4 1 . 3 . 491 . 1 1 4 LEU HB3 H 0.968 -3.312 2.207 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19471_2md4 1 . 3 . 492 . 1 1 4 LEU HD11 H 1.715 -1.581 5.385 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19471_2md4 1 . 3 . 493 . 1 1 4 LEU HD12 H 1.563 -3.162 4.621 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19471_2md4 1 . 3 . 494 . 1 1 4 LEU HD13 H 0.118 -2.253 5.059 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19471_2md4 1 . 3 . 495 . 1 1 4 LEU HD21 H 1.317 0.617 3.274 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19471_2md4 1 . 3 . 496 . 1 1 4 LEU HD22 H 2.653 -0.248 2.514 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19471_2md4 1 . 3 . 497 . 1 1 4 LEU HD23 H 2.526 -0.192 4.273 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19471_2md4 1 . 3 . 498 . 1 1 4 LEU HG H 0.114 -1.242 3.089 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19471_2md4 1 . 3 . 499 . 1 1 4 LEU N N 4.065 -2.150 1.954 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19471_2md4 1 . 3 . 500 . 1 1 4 LEU O O 2.933 -5.445 2.550 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19471_2md4 1 . 3 . 501 . 1 1 5 SER C C 5.021 -6.387 0.186 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19471_2md4 1 . 3 . 502 . 1 1 5 SER CA C 3.667 -5.747 -0.105 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19471_2md4 1 . 3 . 503 . 1 1 5 SER CB C 3.506 -5.532 -1.611 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19471_2md4 1 . 3 . 504 . 1 1 5 SER H H 3.699 -3.643 0.128 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19471_2md4 1 . 3 . 505 . 1 1 5 SER HA H 2.888 -6.410 0.240 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19471_2md4 1 . 3 . 506 . 1 1 5 SER HB2 H 4.361 -4.993 -1.989 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19471_2md4 1 . 3 . 507 . 1 1 5 SER HB3 H 3.438 -6.491 -2.104 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19471_2md4 1 . 3 . 508 . 1 1 5 SER HG H 2.512 -4.174 -2.614 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19471_2md4 1 . 3 . 509 . 1 1 5 SER N N 3.527 -4.482 0.606 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19471_2md4 1 . 3 . 510 . 1 1 5 SER O O 5.143 -7.610 0.251 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19471_2md4 1 . 3 . 511 . 1 1 5 SER OG O 2.334 -4.787 -1.897 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19471_2md4 1 . 3 . 512 . 1 1 6 LYS C C 7.458 -6.649 2.038 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19471_2md4 1 . 3 . 513 . 1 1 6 LYS CA C 7.385 -6.030 0.647 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19471_2md4 1 . 3 . 514 . 1 1 6 LYS CB C 8.392 -4.883 0.534 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19471_2md4 1 . 3 . 515 . 1 1 6 LYS CD C 9.172 -4.293 2.848 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19471_2md4 1 . 3 . 516 . 1 1 6 LYS CE C 10.298 -3.298 3.084 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19471_2md4 1 . 3 . 517 . 1 1 6 LYS CG C 8.302 -3.881 1.672 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19471_2md4 1 . 3 . 518 . 1 1 6 LYS H H 5.879 -4.584 0.297 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19471_2md4 1 . 3 . 519 . 1 1 6 LYS HA H 7.630 -6.785 -0.084 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19471_2md4 1 . 3 . 520 . 1 1 6 LYS HB2 H 9.390 -5.296 0.524 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19471_2md4 1 . 3 . 521 . 1 1 6 LYS HB3 H 8.220 -4.358 -0.395 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19471_2md4 1 . 3 . 522 . 1 1 6 LYS HD2 H 8.560 -4.344 3.736 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19471_2md4 1 . 3 . 523 . 1 1 6 LYS HD3 H 9.598 -5.265 2.646 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19471_2md4 1 . 3 . 524 . 1 1 6 LYS HE2 H 10.896 -3.232 2.188 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19471_2md4 1 . 3 . 525 . 1 1 6 LYS HE3 H 9.867 -2.332 3.301 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19471_2md4 1 . 3 . 526 . 1 1 6 LYS HG2 H 8.631 -2.915 1.316 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19471_2md4 1 . 3 . 527 . 1 1 6 LYS HG3 H 7.275 -3.815 2.001 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19471_2md4 1 . 3 . 528 . 1 1 6 LYS HZ1 H 12.145 -3.851 3.889 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 3 . 529 . 1 1 6 LYS HZ2 H 10.822 -4.595 4.636 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 3 . 530 . 1 1 6 LYS HZ3 H 11.169 -2.971 4.954 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 3 . 531 . 1 1 6 LYS N N 6.038 -5.549 0.361 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19471_2md4 1 . 3 . 532 . 1 1 6 LYS NZ N 11.170 -3.707 4.220 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19471_2md4 1 . 3 . 533 . 1 1 6 LYS O O 8.167 -7.632 2.254 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19471_2md4 1 . 3 . 534 . 1 1 7 ALA C C 5.685 -7.697 4.506 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19471_2md4 1 . 3 . 535 . 1 1 7 ALA CA C 6.697 -6.568 4.348 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19471_2md4 1 . 3 . 536 . 1 1 7 ALA CB C 6.384 -5.436 5.316 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19471_2md4 1 . 3 . 537 . 1 1 7 ALA H H 6.174 -5.290 2.745 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19471_2md4 1 . 3 . 538 . 1 1 7 ALA HA H 7.682 -6.946 4.582 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19471_2md4 1 . 3 . 539 . 1 1 7 ALA HB1 H 5.923 -5.842 6.205 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19471_2md4 1 . 3 . 540 . 1 1 7 ALA HB2 H 7.299 -4.929 5.584 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19471_2md4 1 . 3 . 541 . 1 1 7 ALA HB3 H 5.708 -4.738 4.846 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19471_2md4 1 . 3 . 542 . 1 1 7 ALA N N 6.719 -6.070 2.979 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19471_2md4 1 . 3 . 543 . 1 1 7 ALA O O 5.918 -8.652 5.246 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19471_2md4 1 . 3 . 544 . 1 1 8 GLN C C 3.902 -9.831 3.073 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19471_2md4 1 . 3 . 545 . 1 1 8 GLN CA C 3.512 -8.591 3.871 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19471_2md4 1 . 3 . 546 . 1 1 8 GLN CB C 2.194 -8.023 3.343 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19471_2md4 1 . 3 . 547 . 1 1 8 GLN CD C -0.265 -8.501 3.676 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19471_2md4 1 . 3 . 548 . 1 1 8 GLN CG C 1.081 -9.055 3.250 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19471_2md4 1 . 3 . 549 . 1 1 8 GLN H H 4.433 -6.795 3.235 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19471_2md4 1 . 3 . 550 . 1 1 8 GLN HA H 3.384 -8.870 4.906 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19471_2md4 1 . 3 . 551 . 1 1 8 GLN HB2 H 1.867 -7.231 4.000 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19471_2md4 1 . 3 . 552 . 1 1 8 GLN HB3 H 2.360 -7.616 2.356 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19471_2md4 1 . 3 . 553 . 1 1 8 GLN HE21 H 0.420 -8.182 5.515 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19471_2md4 1 . 3 . 554 . 1 1 8 GLN HE22 H -1.226 -7.737 5.239 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19471_2md4 1 . 3 . 555 . 1 1 8 GLN HG2 H 1.006 -9.394 2.228 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19471_2md4 1 . 3 . 556 . 1 1 8 GLN HG3 H 1.328 -9.890 3.888 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19471_2md4 1 . 3 . 557 . 1 1 8 GLN N N 4.560 -7.580 3.807 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19471_2md4 1 . 3 . 558 . 1 1 8 GLN NE2 N -0.368 -8.100 4.937 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19471_2md4 1 . 3 . 559 . 1 1 8 GLN O O 3.479 -10.942 3.390 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19471_2md4 1 . 3 . 560 . 1 1 8 GLN OE1 O -1.202 -8.434 2.879 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19471_2md4 1 . 3 . 561 . 1 1 9 GLU C C 5.790 -11.840 2.032 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19471_2md4 1 . 3 . 562 . 1 1 9 GLU CA C 5.155 -10.734 1.193 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19471_2md4 1 . 3 . 563 . 1 1 9 GLU CB C 6.155 -10.235 0.148 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19471_2md4 1 . 3 . 564 . 1 1 9 GLU CD C 7.282 -10.985 -1.985 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19471_2md4 1 . 3 . 565 . 1 1 9 GLU CG C 6.901 -11.351 -0.563 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19471_2md4 1 . 3 . 566 . 1 1 9 GLU H H 5.014 -8.722 1.835 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19471_2md4 1 . 3 . 567 . 1 1 9 GLU HA H 4.290 -11.135 0.687 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19471_2md4 1 . 3 . 568 . 1 1 9 GLU HB2 H 5.623 -9.656 -0.593 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19471_2md4 1 . 3 . 569 . 1 1 9 GLU HB3 H 6.879 -9.600 0.635 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19471_2md4 1 . 3 . 570 . 1 1 9 GLU HG2 H 7.802 -11.573 -0.011 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19471_2md4 1 . 3 . 571 . 1 1 9 GLU HG3 H 6.271 -12.228 -0.590 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19471_2md4 1 . 3 . 572 . 1 1 9 GLU N N 4.710 -9.631 2.037 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19471_2md4 1 . 3 . 573 . 1 1 9 GLU O O 5.628 -13.025 1.743 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19471_2md4 1 . 3 . 574 . 1 1 9 GLU OE1 O 8.093 -10.051 -2.159 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19471_2md4 1 . 3 . 575 . 1 1 9 GLU OE2 O 6.770 -11.632 -2.922 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19471_2md4 1 . 3 . 576 . 1 1 10 LYS C C 6.251 -12.808 5.098 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19471_2md4 1 . 3 . 577 . 1 1 10 LYS CA C 7.174 -12.397 3.956 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19471_2md4 1 . 3 . 578 . 1 1 10 LYS CB C 8.463 -11.795 4.519 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19471_2md4 1 . 3 . 579 . 1 1 10 LYS CD C 8.669 -9.319 4.891 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19471_2md4 1 . 3 . 580 . 1 1 10 LYS CE C 10.172 -9.284 4.661 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19471_2md4 1 . 3 . 581 . 1 1 10 LYS CG C 8.227 -10.646 5.485 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19471_2md4 1 . 3 . 582 . 1 1 10 LYS H H 6.607 -10.482 3.252 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19471_2md4 1 . 3 . 583 . 1 1 10 LYS HA H 7.420 -13.272 3.374 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19471_2md4 1 . 3 . 584 . 1 1 10 LYS HB2 H 9.010 -12.568 5.039 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19471_2md4 1 . 3 . 585 . 1 1 10 LYS HB3 H 9.064 -11.430 3.699 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19471_2md4 1 . 3 . 586 . 1 1 10 LYS HD2 H 8.168 -9.172 3.946 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19471_2md4 1 . 3 . 587 . 1 1 10 LYS HD3 H 8.399 -8.523 5.571 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19471_2md4 1 . 3 . 588 . 1 1 10 LYS HE2 H 10.418 -9.978 3.872 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19471_2md4 1 . 3 . 589 . 1 1 10 LYS HE3 H 10.454 -8.285 4.362 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19471_2md4 1 . 3 . 590 . 1 1 10 LYS HG2 H 7.174 -10.592 5.715 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19471_2md4 1 . 3 . 591 . 1 1 10 LYS HG3 H 8.787 -10.829 6.391 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19471_2md4 1 . 3 . 592 . 1 1 10 LYS HZ1 H 10.564 -9.131 6.707 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 3 . 593 . 1 1 10 LYS HZ2 H 11.938 -9.430 5.766 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 3 . 594 . 1 1 10 LYS HZ3 H 10.835 -10.675 6.071 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 3 . 595 . 1 1 10 LYS N N 6.514 -11.442 3.073 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19471_2md4 1 . 3 . 596 . 1 1 10 LYS NZ N 10.930 -9.656 5.887 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19471_2md4 1 . 3 . 597 . 1 1 10 LYS O O 6.690 -13.415 6.076 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19471_2md4 1 . 3 . 598 . 1 1 11 PHE C C 2.887 -13.701 5.415 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19471_2md4 1 . 3 . 599 . 1 1 11 PHE CA C 3.986 -12.812 5.990 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19471_2md4 1 . 3 . 600 . 1 1 11 PHE CB C 3.373 -11.539 6.576 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19471_2md4 1 . 3 . 601 . 1 1 11 PHE CD1 C 5.491 -11.219 7.883 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19471_2md4 1 . 3 . 602 . 1 1 11 PHE CD2 C 4.179 -9.297 7.364 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19471_2md4 1 . 3 . 603 . 1 1 11 PHE CE1 C 6.409 -10.420 8.539 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19471_2md4 1 . 3 . 604 . 1 1 11 PHE CE2 C 5.094 -8.493 8.018 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19471_2md4 1 . 3 . 605 . 1 1 11 PHE CG C 4.368 -10.667 7.288 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19471_2md4 1 . 3 . 606 . 1 1 11 PHE CZ C 6.209 -9.055 8.608 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19471_2md4 1 . 3 . 607 . 1 1 11 PHE H H 4.682 -11.992 4.166 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19471_2md4 1 . 3 . 608 . 1 1 11 PHE HA H 4.495 -13.351 6.775 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19471_2md4 1 . 3 . 609 . 1 1 11 PHE HB2 H 2.936 -10.958 5.778 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19471_2md4 1 . 3 . 610 . 1 1 11 PHE HB3 H 2.603 -11.811 7.282 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19471_2md4 1 . 3 . 611 . 1 1 11 PHE HD1 H 5.648 -12.287 7.830 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19471_2md4 1 . 3 . 612 . 1 1 11 PHE HD2 H 3.307 -8.855 6.905 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19471_2md4 1 . 3 . 613 . 1 1 11 PHE HE1 H 7.280 -10.864 8.999 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19471_2md4 1 . 3 . 614 . 1 1 11 PHE HE2 H 4.935 -7.426 8.071 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19471_2md4 1 . 3 . 615 . 1 1 11 PHE HZ H 6.925 -8.429 9.119 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19471_2md4 1 . 3 . 616 . 1 1 11 PHE N N 4.971 -12.476 4.968 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19471_2md4 1 . 3 . 617 . 1 1 11 PHE O O 2.335 -14.552 6.110 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19471_2md4 1 . 3 . 618 . 1 1 12 GLY C C 2.087 -15.560 2.881 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19471_2md4 1 . 3 . 619 . 1 1 12 GLY CA C 1.543 -14.284 3.491 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19471_2md4 1 . 3 . 620 . 1 1 12 GLY H H 3.049 -12.802 3.633 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19471_2md4 1 . 3 . 621 . 1 1 12 GLY HA2 H 0.789 -14.538 4.220 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19471_2md4 1 . 3 . 622 . 1 1 12 GLY HA3 H 1.090 -13.690 2.710 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19471_2md4 1 . 3 . 623 . 1 1 12 GLY N N 2.575 -13.495 4.139 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19471_2md4 1 . 3 . 624 . 1 1 12 GLY O O 1.373 -16.556 2.770 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19471_2md4 1 . 4 . 625 . 1 1 1 TRP C C 3.421 -1.004 -1.079 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19471_2md4 1 . 4 . 626 . 1 1 1 TRP CA C 2.246 -0.035 -1.154 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19471_2md4 1 . 4 . 627 . 1 1 1 TRP CB C 2.753 1.378 -1.444 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19471_2md4 1 . 4 . 628 . 1 1 1 TRP CD1 C 5.080 2.046 -0.603 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19471_2md4 1 . 4 . 629 . 1 1 1 TRP CD2 C 3.452 2.269 0.919 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19471_2md4 1 . 4 . 630 . 1 1 1 TRP CE2 C 4.671 2.666 1.503 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19471_2md4 1 . 4 . 631 . 1 1 1 TRP CE3 C 2.287 2.326 1.688 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19471_2md4 1 . 4 . 632 . 1 1 1 TRP CG C 3.736 1.877 -0.428 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19471_2md4 1 . 4 . 633 . 1 1 1 TRP CH2 C 3.599 3.156 3.550 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19471_2md4 1 . 4 . 634 . 1 1 1 TRP CZ2 C 4.755 3.110 2.820 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19471_2md4 1 . 4 . 635 . 1 1 1 TRP CZ3 C 2.372 2.767 2.995 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19471_2md4 1 . 4 . 636 . 1 1 1 TRP H1 H 1.953 -0.077 0.943 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19471_2md4 1 . 4 . 637 . 1 1 1 TRP HA H 1.590 -0.344 -1.954 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19471_2md4 1 . 4 . 638 . 1 1 1 TRP HB2 H 3.236 1.390 -2.409 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19471_2md4 1 . 4 . 639 . 1 1 1 TRP HB3 H 1.913 2.058 -1.457 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19471_2md4 1 . 4 . 640 . 1 1 1 TRP HD1 H 5.605 1.832 -1.521 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19471_2md4 1 . 4 . 641 . 1 1 1 TRP HE1 H 6.600 2.721 0.680 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19471_2md4 1 . 4 . 642 . 1 1 1 TRP HE3 H 1.332 2.031 1.279 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19471_2md4 1 . 4 . 643 . 1 1 1 TRP HH2 H 3.619 3.494 4.575 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19471_2md4 1 . 4 . 644 . 1 1 1 TRP HZ2 H 5.693 3.414 3.262 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19471_2md4 1 . 4 . 645 . 1 1 1 TRP HZ3 H 1.482 2.818 3.605 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19471_2md4 1 . 4 . 646 . 1 1 1 TRP N N 1.477 -0.053 0.086 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19471_2md4 1 . 4 . 647 . 1 1 1 TRP NE1 N 5.649 2.519 0.555 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19471_2md4 1 . 4 . 648 . 1 1 1 TRP O O 3.321 -2.072 -0.475 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19471_2md4 1 . 4 . 649 . 1 1 2 LYS C C 6.133 -1.839 -0.278 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19471_2md4 1 . 4 . 650 . 1 1 2 LYS CA C 5.731 -1.460 -1.700 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19471_2md4 1 . 4 . 651 . 1 1 2 LYS CB C 6.885 -0.730 -2.390 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19471_2md4 1 . 4 . 652 . 1 1 2 LYS CD C 8.005 0.820 -0.762 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19471_2md4 1 . 4 . 653 . 1 1 2 LYS CE C 9.330 1.182 -0.108 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19471_2md4 1 . 4 . 654 . 1 1 2 LYS CG C 8.090 -0.510 -1.492 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19471_2md4 1 . 4 . 655 . 1 1 2 LYS H H 4.553 0.238 -2.162 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19471_2md4 1 . 4 . 656 . 1 1 2 LYS HA H 5.505 -2.361 -2.250 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19471_2md4 1 . 4 . 657 . 1 1 2 LYS HB2 H 7.201 -1.309 -3.245 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19471_2md4 1 . 4 . 658 . 1 1 2 LYS HB3 H 6.534 0.234 -2.729 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19471_2md4 1 . 4 . 659 . 1 1 2 LYS HD2 H 7.744 1.593 -1.469 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19471_2md4 1 . 4 . 660 . 1 1 2 LYS HD3 H 7.243 0.755 0.001 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19471_2md4 1 . 4 . 661 . 1 1 2 LYS HE2 H 9.198 1.188 0.963 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19471_2md4 1 . 4 . 662 . 1 1 2 LYS HE3 H 10.064 0.436 -0.375 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19471_2md4 1 . 4 . 663 . 1 1 2 LYS HG2 H 8.134 -1.306 -0.763 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19471_2md4 1 . 4 . 664 . 1 1 2 LYS HG3 H 8.985 -0.523 -2.096 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19471_2md4 1 . 4 . 665 . 1 1 2 LYS HZ1 H 10.001 3.121 0.284 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 4 . 666 . 1 1 2 LYS HZ2 H 9.104 2.981 -1.144 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 4 . 667 . 1 1 2 LYS HZ3 H 10.698 2.419 -1.089 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 4 . 668 . 1 1 2 LYS N N 4.535 -0.625 -1.697 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19471_2md4 1 . 4 . 669 . 1 1 2 LYS NZ N 9.817 2.520 -0.544 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19471_2md4 1 . 4 . 670 . 1 1 2 LYS O O 6.623 -2.942 -0.034 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19471_2md4 1 . 4 . 671 . 1 1 3 LEU C C 5.265 -2.116 2.702 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19471_2md4 1 . 4 . 672 . 1 1 3 LEU CA C 6.260 -1.158 2.056 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19471_2md4 1 . 4 . 673 . 1 1 3 LEU CB C 6.288 0.163 2.827 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19471_2md4 1 . 4 . 674 . 1 1 3 LEU CD1 C 5.423 -0.278 5.137 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19471_2md4 1 . 4 . 675 . 1 1 3 LEU CD2 C 7.748 -0.964 4.524 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19471_2md4 1 . 4 . 676 . 1 1 3 LEU CG C 6.651 0.067 4.309 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19471_2md4 1 . 4 . 677 . 1 1 3 LEU H H 5.528 -0.059 0.402 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19471_2md4 1 . 4 . 678 . 1 1 3 LEU HA H 7.243 -1.604 2.087 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19471_2md4 1 . 4 . 679 . 1 1 3 LEU HB2 H 7.011 0.808 2.351 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19471_2md4 1 . 4 . 680 . 1 1 3 LEU HB3 H 5.307 0.609 2.753 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19471_2md4 1 . 4 . 681 . 1 1 3 LEU HD11 H 4.539 -0.198 4.522 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19471_2md4 1 . 4 . 682 . 1 1 3 LEU HD12 H 5.345 0.407 5.969 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19471_2md4 1 . 4 . 683 . 1 1 3 LEU HD13 H 5.512 -1.287 5.510 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19471_2md4 1 . 4 . 684 . 1 1 3 LEU HD21 H 8.671 -0.604 4.094 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19471_2md4 1 . 4 . 685 . 1 1 3 LEU HD22 H 7.468 -1.893 4.049 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19471_2md4 1 . 4 . 686 . 1 1 3 LEU HD23 H 7.884 -1.130 5.583 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19471_2md4 1 . 4 . 687 . 1 1 3 LEU HG H 7.021 1.026 4.645 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19471_2md4 1 . 4 . 688 . 1 1 3 LEU N N 5.921 -0.919 0.657 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19471_2md4 1 . 4 . 689 . 1 1 3 LEU O O 5.537 -2.695 3.754 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19471_2md4 1 . 4 . 690 . 1 1 4 LEU C C 3.168 -4.546 1.923 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19471_2md4 1 . 4 . 691 . 1 1 4 LEU CA C 3.074 -3.170 2.575 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19471_2md4 1 . 4 . 692 . 1 1 4 LEU CB C 1.690 -2.569 2.327 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19471_2md4 1 . 4 . 693 . 1 1 4 LEU CD1 C 1.149 -2.288 4.758 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19471_2md4 1 . 4 . 694 . 1 1 4 LEU CD2 C 2.029 -0.350 3.444 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19471_2md4 1 . 4 . 695 . 1 1 4 LEU CG C 1.173 -1.608 3.398 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19471_2md4 1 . 4 . 696 . 1 1 4 LEU H H 3.951 -1.791 1.230 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19471_2md4 1 . 4 . 697 . 1 1 4 LEU HA H 3.225 -3.278 3.639 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19471_2md4 1 . 4 . 698 . 1 1 4 LEU HB2 H 1.726 -2.032 1.391 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19471_2md4 1 . 4 . 699 . 1 1 4 LEU HB3 H 0.985 -3.384 2.245 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19471_2md4 1 . 4 . 700 . 1 1 4 LEU HD11 H 0.133 -2.335 5.119 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19471_2md4 1 . 4 . 701 . 1 1 4 LEU HD12 H 1.752 -1.723 5.454 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19471_2md4 1 . 4 . 702 . 1 1 4 LEU HD13 H 1.546 -3.288 4.667 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19471_2md4 1 . 4 . 703 . 1 1 4 LEU HD21 H 1.395 0.520 3.354 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19471_2md4 1 . 4 . 704 . 1 1 4 LEU HD22 H 2.736 -0.367 2.627 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19471_2md4 1 . 4 . 705 . 1 1 4 LEU HD23 H 2.564 -0.312 4.382 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19471_2md4 1 . 4 . 706 . 1 1 4 LEU HG H 0.161 -1.316 3.153 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19471_2md4 1 . 4 . 707 . 1 1 4 LEU N N 4.111 -2.280 2.064 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19471_2md4 1 . 4 . 708 . 1 1 4 LEU O O 2.895 -5.564 2.558 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19471_2md4 1 . 4 . 709 . 1 1 5 SER C C 5.016 -6.499 0.225 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19471_2md4 1 . 4 . 710 . 1 1 5 SER CA C 3.686 -5.818 -0.086 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19471_2md4 1 . 4 . 711 . 1 1 5 SER CB C 3.572 -5.561 -1.590 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19471_2md4 1 . 4 . 712 . 1 1 5 SER H H 3.761 -3.722 0.201 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19471_2md4 1 . 4 . 713 . 1 1 5 SER HA H 2.882 -6.469 0.222 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19471_2md4 1 . 4 . 714 . 1 1 5 SER HB2 H 4.446 -5.028 -1.929 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19471_2md4 1 . 4 . 715 . 1 1 5 SER HB3 H 3.502 -6.506 -2.109 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19471_2md4 1 . 4 . 716 . 1 1 5 SER HG H 1.994 -5.142 -2.672 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19471_2md4 1 . 4 . 717 . 1 1 5 SER N N 3.558 -4.568 0.653 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19471_2md4 1 . 4 . 718 . 1 1 5 SER O O 5.094 -7.724 0.317 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19471_2md4 1 . 4 . 719 . 1 1 5 SER OG O 2.422 -4.789 -1.889 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19471_2md4 1 . 4 . 720 . 1 1 6 LYS C C 7.430 -6.824 2.086 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19471_2md4 1 . 4 . 721 . 1 1 6 LYS CA C 7.389 -6.216 0.688 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19471_2md4 1 . 4 . 722 . 1 1 6 LYS CB C 8.435 -5.104 0.573 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19471_2md4 1 . 4 . 723 . 1 1 6 LYS CD C 9.357 -2.969 1.522 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19471_2md4 1 . 4 . 724 . 1 1 6 LYS CE C 10.800 -3.381 1.272 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19471_2md4 1 . 4 . 725 . 1 1 6 LYS CG C 8.469 -4.176 1.775 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19471_2md4 1 . 4 . 726 . 1 1 6 LYS H H 5.937 -4.726 0.300 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19471_2md4 1 . 4 . 727 . 1 1 6 LYS HA H 7.615 -6.986 -0.034 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19471_2md4 1 . 4 . 728 . 1 1 6 LYS HB2 H 9.410 -5.554 0.463 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19471_2md4 1 . 4 . 729 . 1 1 6 LYS HB3 H 8.219 -4.513 -0.305 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19471_2md4 1 . 4 . 730 . 1 1 6 LYS HD2 H 8.991 -2.439 0.655 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19471_2md4 1 . 4 . 731 . 1 1 6 LYS HD3 H 9.322 -2.319 2.385 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19471_2md4 1 . 4 . 732 . 1 1 6 LYS HE2 H 11.155 -3.938 2.126 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19471_2md4 1 . 4 . 733 . 1 1 6 LYS HE3 H 10.834 -4.009 0.394 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19471_2md4 1 . 4 . 734 . 1 1 6 LYS HG2 H 7.467 -3.834 1.983 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19471_2md4 1 . 4 . 735 . 1 1 6 LYS HG3 H 8.851 -4.720 2.627 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19471_2md4 1 . 4 . 736 . 1 1 6 LYS HZ1 H 12.429 -2.433 0.371 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 4 . 737 . 1 1 6 LYS HZ2 H 12.132 -1.926 1.958 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 4 . 738 . 1 1 6 LYS HZ3 H 11.131 -1.399 0.701 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 4 . 739 . 1 1 6 LYS N N 6.061 -5.694 0.386 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19471_2md4 1 . 4 . 740 . 1 1 6 LYS NZ N 11.685 -2.202 1.060 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19471_2md4 1 . 4 . 741 . 1 1 6 LYS O O 8.122 -7.814 2.323 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19471_2md4 1 . 4 . 742 . 1 1 7 ALA C C 5.611 -7.835 4.529 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19471_2md4 1 . 4 . 743 . 1 1 7 ALA CA C 6.631 -6.712 4.382 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19471_2md4 1 . 4 . 744 . 1 1 7 ALA CB C 6.304 -5.570 5.333 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19471_2md4 1 . 4 . 745 . 1 1 7 ALA H H 6.153 -5.441 2.759 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19471_2md4 1 . 4 . 746 . 1 1 7 ALA HA H 7.610 -7.092 4.638 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19471_2md4 1 . 4 . 747 . 1 1 7 ALA HB1 H 5.795 -5.962 6.202 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19471_2md4 1 . 4 . 748 . 1 1 7 ALA HB2 H 7.218 -5.084 5.639 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19471_2md4 1 . 4 . 749 . 1 1 7 ALA HB3 H 5.666 -4.857 4.833 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19471_2md4 1 . 4 . 750 . 1 1 7 ALA N N 6.683 -6.226 3.008 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19471_2md4 1 . 4 . 751 . 1 1 7 ALA O O 5.830 -8.791 5.272 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19471_2md4 1 . 4 . 752 . 1 1 8 GLN C C 3.825 -9.953 3.065 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19471_2md4 1 . 4 . 753 . 1 1 8 GLN CA C 3.440 -8.717 3.871 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19471_2md4 1 . 4 . 754 . 1 1 8 GLN CB C 2.127 -8.137 3.343 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19471_2md4 1 . 4 . 755 . 1 1 8 GLN CD C -0.333 -8.602 3.684 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19471_2md4 1 . 4 . 756 . 1 1 8 GLN CG C 1.006 -9.160 3.244 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19471_2md4 1 . 4 . 757 . 1 1 8 GLN H H 4.378 -6.926 3.244 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19471_2md4 1 . 4 . 758 . 1 1 8 GLN HA H 3.307 -9.002 4.904 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19471_2md4 1 . 4 . 759 . 1 1 8 GLN HB2 H 1.805 -7.345 4.002 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19471_2md4 1 . 4 . 760 . 1 1 8 GLN HB3 H 2.298 -7.728 2.358 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19471_2md4 1 . 4 . 761 . 1 1 8 GLN HE21 H 0.375 -8.275 5.513 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19471_2md4 1 . 4 . 762 . 1 1 8 GLN HE22 H -1.274 -7.829 5.256 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19471_2md4 1 . 4 . 763 . 1 1 8 GLN HG2 H 0.923 -9.486 2.218 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19471_2md4 1 . 4 . 764 . 1 1 8 GLN HG3 H 1.251 -10.004 3.871 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19471_2md4 1 . 4 . 765 . 1 1 8 GLN N N 4.495 -7.711 3.818 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19471_2md4 1 . 4 . 766 . 1 1 8 GLN NE2 N -0.420 -8.195 4.945 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19471_2md4 1 . 4 . 767 . 1 1 8 GLN O O 3.395 -11.064 3.374 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19471_2md4 1 . 4 . 768 . 1 1 8 GLN OE1 O -1.280 -8.538 2.899 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19471_2md4 1 . 4 . 769 . 1 1 9 GLU C C 5.704 -11.965 2.014 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19471_2md4 1 . 4 . 770 . 1 1 9 GLU CA C 5.077 -10.850 1.182 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19471_2md4 1 . 4 . 771 . 1 1 9 GLU CB C 6.082 -10.349 0.142 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19471_2md4 1 . 4 . 772 . 1 1 9 GLU CD C 7.608 -10.962 -1.775 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19471_2md4 1 . 4 . 773 . 1 1 9 GLU CG C 6.810 -11.465 -0.588 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19471_2md4 1 . 4 . 774 . 1 1 9 GLU H H 4.945 -8.842 1.837 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19471_2md4 1 . 4 . 775 . 1 1 9 GLU HA H 4.211 -11.243 0.671 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19471_2md4 1 . 4 . 776 . 1 1 9 GLU HB2 H 5.557 -9.750 -0.588 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19471_2md4 1 . 4 . 777 . 1 1 9 GLU HB3 H 6.817 -9.733 0.638 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19471_2md4 1 . 4 . 778 . 1 1 9 GLU HG2 H 7.486 -11.948 0.102 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19471_2md4 1 . 4 . 779 . 1 1 9 GLU HG3 H 6.083 -12.182 -0.940 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19471_2md4 1 . 4 . 780 . 1 1 9 GLU N N 4.636 -9.751 2.032 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19471_2md4 1 . 4 . 781 . 1 1 9 GLU O O 5.520 -13.148 1.728 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19471_2md4 1 . 4 . 782 . 1 1 9 GLU OE1 O 7.277 -9.875 -2.294 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19471_2md4 1 . 4 . 783 . 1 1 9 GLU OE2 O 8.563 -11.654 -2.185 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19471_2md4 1 . 4 . 784 . 1 1 10 LYS C C 6.169 -12.970 5.053 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19471_2md4 1 . 4 . 785 . 1 1 10 LYS CA C 7.100 -12.543 3.923 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19471_2md4 1 . 4 . 786 . 1 1 10 LYS CB C 8.384 -11.946 4.503 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19471_2md4 1 . 4 . 787 . 1 1 10 LYS CD C 8.671 -9.510 5.044 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19471_2md4 1 . 4 . 788 . 1 1 10 LYS CE C 9.000 -8.590 6.210 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19471_2md4 1 . 4 . 789 . 1 1 10 LYS CG C 8.138 -10.849 5.525 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19471_2md4 1 . 4 . 790 . 1 1 10 LYS H H 6.555 -10.620 3.224 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19471_2md4 1 . 4 . 791 . 1 1 10 LYS HA H 7.351 -13.411 3.332 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19471_2md4 1 . 4 . 792 . 1 1 10 LYS HB2 H 8.949 -12.733 4.980 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19471_2md4 1 . 4 . 793 . 1 1 10 LYS HB3 H 8.971 -11.532 3.696 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19471_2md4 1 . 4 . 794 . 1 1 10 LYS HD2 H 9.569 -9.676 4.467 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19471_2md4 1 . 4 . 795 . 1 1 10 LYS HD3 H 7.924 -9.037 4.423 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19471_2md4 1 . 4 . 796 . 1 1 10 LYS HE2 H 8.077 -8.215 6.626 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19471_2md4 1 . 4 . 797 . 1 1 10 LYS HE3 H 9.528 -9.158 6.962 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19471_2md4 1 . 4 . 798 . 1 1 10 LYS HG2 H 7.075 -10.761 5.695 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19471_2md4 1 . 4 . 799 . 1 1 10 LYS HG3 H 8.632 -11.113 6.449 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19471_2md4 1 . 4 . 800 . 1 1 10 LYS HZ1 H 9.750 -6.658 6.467 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 4 . 801 . 1 1 10 LYS HZ2 H 9.550 -7.106 4.848 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 4 . 802 . 1 1 10 LYS HZ3 H 10.843 -7.727 5.744 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 4 . 803 . 1 1 10 LYS N N 6.446 -11.578 3.047 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19471_2md4 1 . 4 . 804 . 1 1 10 LYS NZ N 9.845 -7.439 5.788 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19471_2md4 1 . 4 . 805 . 1 1 10 LYS O O 6.586 -13.650 5.991 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19471_2md4 1 . 4 . 806 . 1 1 11 PHE C C 2.807 -13.774 5.380 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19471_2md4 1 . 4 . 807 . 1 1 11 PHE CA C 3.916 -12.909 5.972 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19471_2md4 1 . 4 . 808 . 1 1 11 PHE CB C 3.318 -11.639 6.580 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19471_2md4 1 . 4 . 809 . 1 1 11 PHE CD1 C 5.489 -11.329 7.800 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19471_2md4 1 . 4 . 810 . 1 1 11 PHE CD2 C 4.119 -9.414 7.421 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19471_2md4 1 . 4 . 811 . 1 1 11 PHE CE1 C 6.420 -10.538 8.447 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19471_2md4 1 . 4 . 812 . 1 1 11 PHE CE2 C 5.047 -8.618 8.066 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19471_2md4 1 . 4 . 813 . 1 1 11 PHE CG C 4.329 -10.777 7.281 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19471_2md4 1 . 4 . 814 . 1 1 11 PHE CZ C 6.199 -9.181 8.578 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19471_2md4 1 . 4 . 815 . 1 1 11 PHE H H 4.634 -12.027 4.186 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19471_2md4 1 . 4 . 816 . 1 1 11 PHE HA H 4.417 -13.468 6.748 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19471_2md4 1 . 4 . 817 . 1 1 11 PHE HB2 H 2.868 -11.050 5.795 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19471_2md4 1 . 4 . 818 . 1 1 11 PHE HB3 H 2.560 -11.914 7.298 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19471_2md4 1 . 4 . 819 . 1 1 11 PHE HD1 H 5.663 -12.390 7.697 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19471_2md4 1 . 4 . 820 . 1 1 11 PHE HD2 H 3.218 -8.973 7.019 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19471_2md4 1 . 4 . 821 . 1 1 11 PHE HE1 H 7.320 -10.980 8.846 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19471_2md4 1 . 4 . 822 . 1 1 11 PHE HE2 H 4.871 -7.558 8.167 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19471_2md4 1 . 4 . 823 . 1 1 11 PHE HZ H 6.925 -8.561 9.083 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19471_2md4 1 . 4 . 824 . 1 1 11 PHE N N 4.906 -12.568 4.958 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19471_2md4 1 . 4 . 825 . 1 1 11 PHE O O 2.227 -14.615 6.066 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19471_2md4 1 . 4 . 826 . 1 1 12 GLY C C 1.969 -15.679 2.963 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19471_2md4 1 . 4 . 827 . 1 1 12 GLY CA C 1.478 -14.326 3.437 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19471_2md4 1 . 4 . 828 . 1 1 12 GLY H H 3.012 -12.876 3.603 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19471_2md4 1 . 4 . 829 . 1 1 12 GLY HA2 H 0.659 -14.472 4.125 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19471_2md4 1 . 4 . 830 . 1 1 12 GLY HA3 H 1.123 -13.766 2.584 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19471_2md4 1 . 4 . 831 . 1 1 12 GLY N N 2.517 -13.560 4.100 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19471_2md4 1 . 4 . 832 . 1 1 12 GLY O O 1.259 -16.389 2.250 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19471_2md4 1 . 5 . 833 . 1 1 1 TRP C C 3.393 -0.969 -1.113 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19471_2md4 1 . 5 . 834 . 1 1 1 TRP CA C 2.212 -0.006 -1.167 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19471_2md4 1 . 5 . 835 . 1 1 1 TRP CB C 2.705 1.408 -1.478 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19471_2md4 1 . 5 . 836 . 1 1 1 TRP CD1 C 5.047 2.092 -0.693 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19471_2md4 1 . 5 . 837 . 1 1 1 TRP CD2 C 3.452 2.319 0.862 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19471_2md4 1 . 5 . 838 . 1 1 1 TRP CE2 C 4.682 2.725 1.417 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19471_2md4 1 . 5 . 839 . 1 1 1 TRP CE3 C 2.304 2.377 1.657 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19471_2md4 1 . 5 . 840 . 1 1 1 TRP CG C 3.708 1.918 -0.488 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19471_2md4 1 . 5 . 841 . 1 1 1 TRP CH2 C 3.653 3.226 3.483 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19471_2md4 1 . 5 . 842 . 1 1 1 TRP CZ2 C 4.793 3.180 2.728 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19471_2md4 1 . 5 . 843 . 1 1 1 TRP CZ3 C 2.416 2.828 2.958 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19471_2md4 1 . 5 . 844 . 1 1 1 TRP H1 H 1.966 -0.032 0.936 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19471_2md4 1 . 5 . 845 . 1 1 1 TRP HA H 1.539 -0.323 -1.950 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19471_2md4 1 . 5 . 846 . 1 1 1 TRP HB2 H 3.166 1.415 -2.454 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19471_2md4 1 . 5 . 847 . 1 1 1 TRP HB3 H 1.862 2.084 -1.477 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19471_2md4 1 . 5 . 848 . 1 1 1 TRP HD1 H 5.553 1.874 -1.622 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19471_2md4 1 . 5 . 849 . 1 1 1 TRP HE1 H 6.592 2.783 0.551 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19471_2md4 1 . 5 . 850 . 1 1 1 TRP HE3 H 1.342 2.074 1.270 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19471_2md4 1 . 5 . 851 . 1 1 1 TRP HH2 H 3.693 3.572 4.504 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19471_2md4 1 . 5 . 852 . 1 1 1 TRP HZ2 H 5.739 3.491 3.147 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19471_2md4 1 . 5 . 853 . 1 1 1 TRP HZ3 H 1.539 2.879 3.587 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19471_2md4 1 . 5 . 854 . 1 1 1 TRP N N 1.471 -0.019 0.090 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19471_2md4 1 . 5 . 855 . 1 1 1 TRP NE1 N 5.639 2.576 0.448 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19471_2md4 1 . 5 . 856 . 1 1 1 TRP O O 3.311 -2.034 -0.500 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19471_2md4 1 . 5 . 857 . 1 1 2 LYS C C 6.126 -1.785 -0.366 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19471_2md4 1 . 5 . 858 . 1 1 2 LYS CA C 5.690 -1.418 -1.781 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19471_2md4 1 . 5 . 859 . 1 1 2 LYS CB C 6.825 -0.688 -2.502 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19471_2md4 1 . 5 . 860 . 1 1 2 LYS CD C 7.980 0.873 -0.908 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19471_2md4 1 . 5 . 861 . 1 1 2 LYS CE C 9.314 1.234 -0.274 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19471_2md4 1 . 5 . 862 . 1 1 2 LYS CG C 8.051 -0.460 -1.634 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19471_2md4 1 . 5 . 863 . 1 1 2 LYS H H 4.495 0.272 -2.227 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19471_2md4 1 . 5 . 864 . 1 1 2 LYS HA H 5.456 -2.324 -2.319 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19471_2md4 1 . 5 . 865 . 1 1 2 LYS HB2 H 7.122 -1.270 -3.362 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19471_2md4 1 . 5 . 866 . 1 1 2 LYS HB3 H 6.463 0.274 -2.836 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19471_2md4 1 . 5 . 867 . 1 1 2 LYS HD2 H 7.709 1.644 -1.613 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19471_2md4 1 . 5 . 868 . 1 1 2 LYS HD3 H 7.228 0.811 -0.133 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19471_2md4 1 . 5 . 869 . 1 1 2 LYS HE2 H 9.630 0.418 0.359 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19471_2md4 1 . 5 . 870 . 1 1 2 LYS HE3 H 10.042 1.383 -1.058 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19471_2md4 1 . 5 . 871 . 1 1 2 LYS HG2 H 8.115 -1.253 -0.903 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19471_2md4 1 . 5 . 872 . 1 1 2 LYS HG3 H 8.931 -0.472 -2.260 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19471_2md4 1 . 5 . 873 . 1 1 2 LYS HZ1 H 8.396 2.427 1.175 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 5 . 874 . 1 1 2 LYS HZ2 H 9.125 3.304 -0.075 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 5 . 875 . 1 1 2 LYS HZ3 H 10.079 2.586 1.123 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 5 . 876 . 1 1 2 LYS N N 4.491 -0.589 -1.757 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19471_2md4 1 . 5 . 877 . 1 1 2 LYS NZ N 9.222 2.474 0.545 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19471_2md4 1 . 5 . 878 . 1 1 2 LYS O O 6.629 -2.884 -0.126 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19471_2md4 1 . 5 . 879 . 1 1 3 LEU C C 5.324 -2.046 2.635 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19471_2md4 1 . 5 . 880 . 1 1 3 LEU CA C 6.301 -1.088 1.960 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19471_2md4 1 . 5 . 881 . 1 1 3 LEU CB C 6.340 0.238 2.721 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19471_2md4 1 . 5 . 882 . 1 1 3 LEU CD1 C 5.523 -0.188 5.052 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19471_2md4 1 . 5 . 883 . 1 1 3 LEU CD2 C 7.837 -0.874 4.397 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19471_2md4 1 . 5 . 884 . 1 1 3 LEU CG C 6.733 0.154 4.197 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19471_2md4 1 . 5 . 885 . 1 1 3 LEU H H 5.525 -0.005 0.316 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19471_2md4 1 . 5 . 886 . 1 1 3 LEU HA H 7.286 -1.531 1.972 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19471_2md4 1 . 5 . 887 . 1 1 3 LEU HB2 H 7.051 0.882 2.226 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19471_2md4 1 . 5 . 888 . 1 1 3 LEU HB3 H 5.356 0.681 2.664 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19471_2md4 1 . 5 . 889 . 1 1 3 LEU HD11 H 4.627 -0.118 4.453 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19471_2md4 1 . 5 . 890 . 1 1 3 LEU HD12 H 5.459 0.504 5.878 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19471_2md4 1 . 5 . 891 . 1 1 3 LEU HD13 H 5.624 -1.194 5.432 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19471_2md4 1 . 5 . 892 . 1 1 3 LEU HD21 H 7.992 -1.035 5.453 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19471_2md4 1 . 5 . 893 . 1 1 3 LEU HD22 H 8.751 -0.511 3.950 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19471_2md4 1 . 5 . 894 . 1 1 3 LEU HD23 H 7.553 -1.804 3.927 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19471_2md4 1 . 5 . 895 . 1 1 3 LEU HG H 7.107 1.116 4.518 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19471_2md4 1 . 5 . 896 . 1 1 3 LEU N N 5.929 -0.861 0.568 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19471_2md4 1 . 5 . 897 . 1 1 3 LEU O O 5.621 -2.615 3.686 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19471_2md4 1 . 5 . 898 . 1 1 4 LEU C C 3.222 -4.492 1.918 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19471_2md4 1 . 5 . 899 . 1 1 4 LEU CA C 3.137 -3.113 2.563 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19471_2md4 1 . 5 . 900 . 1 1 4 LEU CB C 1.745 -2.518 2.342 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19471_2md4 1 . 5 . 901 . 1 1 4 LEU CD1 C 1.266 -2.221 4.785 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19471_2md4 1 . 5 . 902 . 1 1 4 LEU CD2 C 2.096 -0.288 3.431 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19471_2md4 1 . 5 . 903 . 1 1 4 LEU CG C 1.249 -1.552 3.419 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19471_2md4 1 . 5 . 904 . 1 1 4 LEU H H 3.978 -1.741 1.188 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19471_2md4 1 . 5 . 905 . 1 1 4 LEU HA H 3.313 -3.213 3.624 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19471_2md4 1 . 5 . 906 . 1 1 4 LEU HB2 H 1.757 -1.988 1.403 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19471_2md4 1 . 5 . 907 . 1 1 4 LEU HB3 H 1.042 -3.338 2.282 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19471_2md4 1 . 5 . 908 . 1 1 4 LEU HD11 H 0.262 -2.261 5.178 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19471_2md4 1 . 5 . 909 . 1 1 4 LEU HD12 H 1.894 -1.653 5.456 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19471_2md4 1 . 5 . 910 . 1 1 4 LEU HD13 H 1.657 -3.223 4.690 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19471_2md4 1 . 5 . 911 . 1 1 4 LEU HD21 H 2.644 -0.231 4.360 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19471_2md4 1 . 5 . 912 . 1 1 4 LEU HD22 H 1.453 0.576 3.338 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19471_2md4 1 . 5 . 913 . 1 1 4 LEU HD23 H 2.789 -0.311 2.603 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19471_2md4 1 . 5 . 914 . 1 1 4 LEU HG H 0.229 -1.271 3.198 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19471_2md4 1 . 5 . 915 . 1 1 4 LEU N N 4.158 -2.221 2.023 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19471_2md4 1 . 5 . 916 . 1 1 4 LEU O O 2.967 -5.508 2.565 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19471_2md4 1 . 5 . 917 . 1 1 5 SER C C 5.040 -6.448 0.189 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19471_2md4 1 . 5 . 918 . 1 1 5 SER CA C 3.700 -5.775 -0.095 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19471_2md4 1 . 5 . 919 . 1 1 5 SER CB C 3.549 -5.528 -1.597 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19471_2md4 1 . 5 . 920 . 1 1 5 SER H H 3.773 -3.677 0.177 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19471_2md4 1 . 5 . 921 . 1 1 5 SER HA H 2.906 -6.428 0.236 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19471_2md4 1 . 5 . 922 . 1 1 5 SER HB2 H 4.412 -4.991 -1.960 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19471_2md4 1 . 5 . 923 . 1 1 5 SER HB3 H 3.474 -6.476 -2.109 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19471_2md4 1 . 5 . 924 . 1 1 5 SER HG H 1.686 -5.348 -2.176 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19471_2md4 1 . 5 . 925 . 1 1 5 SER N N 3.583 -4.520 0.639 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19471_2md4 1 . 5 . 926 . 1 1 5 SER O O 5.125 -7.672 0.286 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19471_2md4 1 . 5 . 927 . 1 1 5 SER OG O 2.387 -4.766 -1.874 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19471_2md4 1 . 5 . 928 . 1 1 6 LYS C C 7.497 -6.752 1.996 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19471_2md4 1 . 5 . 929 . 1 1 6 LYS CA C 7.421 -6.151 0.596 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19471_2md4 1 . 5 . 930 . 1 1 6 LYS CB C 8.458 -5.035 0.452 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19471_2md4 1 . 5 . 931 . 1 1 6 LYS CD C 9.392 -2.891 1.368 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19471_2md4 1 . 5 . 932 . 1 1 6 LYS CE C 10.835 -3.295 1.104 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19471_2md4 1 . 5 . 933 . 1 1 6 LYS CG C 8.517 -4.101 1.648 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19471_2md4 1 . 5 . 934 . 1 1 6 LYS H H 5.953 -4.670 0.234 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19471_2md4 1 . 5 . 935 . 1 1 6 LYS HA H 7.634 -6.925 -0.126 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19471_2md4 1 . 5 . 936 . 1 1 6 LYS HB2 H 9.433 -5.481 0.321 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19471_2md4 1 . 5 . 937 . 1 1 6 LYS HB3 H 8.219 -4.449 -0.424 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19471_2md4 1 . 5 . 938 . 1 1 6 LYS HD2 H 9.011 -2.374 0.500 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19471_2md4 1 . 5 . 939 . 1 1 6 LYS HD3 H 9.363 -2.231 2.223 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19471_2md4 1 . 5 . 940 . 1 1 6 LYS HE2 H 10.899 -4.372 1.108 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19471_2md4 1 . 5 . 941 . 1 1 6 LYS HE3 H 11.128 -2.921 0.134 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19471_2md4 1 . 5 . 942 . 1 1 6 LYS HG2 H 7.518 -3.763 1.879 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19471_2md4 1 . 5 . 943 . 1 1 6 LYS HG3 H 8.922 -4.639 2.493 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19471_2md4 1 . 5 . 944 . 1 1 6 LYS HZ1 H 12.391 -3.500 2.482 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 5 . 945 . 1 1 6 LYS HZ2 H 11.218 -2.367 2.936 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 5 . 946 . 1 1 6 LYS HZ3 H 12.339 -1.987 1.727 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 5 . 947 . 1 1 6 LYS N N 6.084 -5.638 0.322 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19471_2md4 1 . 5 . 948 . 1 1 6 LYS NZ N 11.761 -2.749 2.134 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19471_2md4 1 . 5 . 949 . 1 1 6 LYS O O 8.201 -7.735 2.223 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19471_2md4 1 . 5 . 950 . 1 1 7 ALA C C 5.733 -7.757 4.486 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19471_2md4 1 . 5 . 951 . 1 1 7 ALA CA C 6.748 -6.632 4.309 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19471_2md4 1 . 5 . 952 . 1 1 7 ALA CB C 6.441 -5.486 5.261 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19471_2md4 1 . 5 . 953 . 1 1 7 ALA H H 6.225 -5.373 2.690 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19471_2md4 1 . 5 . 954 . 1 1 7 ALA HA H 7.733 -7.009 4.544 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19471_2md4 1 . 5 . 955 . 1 1 7 ALA HB1 H 7.358 -4.976 5.517 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19471_2md4 1 . 5 . 956 . 1 1 7 ALA HB2 H 5.764 -4.794 4.784 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19471_2md4 1 . 5 . 957 . 1 1 7 ALA HB3 H 5.984 -5.877 6.158 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19471_2md4 1 . 5 . 958 . 1 1 7 ALA N N 6.766 -6.154 2.932 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19471_2md4 1 . 5 . 959 . 1 1 7 ALA O O 5.973 -8.709 5.228 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19471_2md4 1 . 5 . 960 . 1 1 8 GLN C C 3.914 -9.883 3.070 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19471_2md4 1 . 5 . 961 . 1 1 8 GLN CA C 3.549 -8.646 3.884 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19471_2md4 1 . 5 . 962 . 1 1 8 GLN CB C 2.221 -8.069 3.391 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19471_2md4 1 . 5 . 963 . 1 1 8 GLN CD C -0.257 -8.483 3.657 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19471_2md4 1 . 5 . 964 . 1 1 8 GLN CG C 1.096 -9.090 3.341 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19471_2md4 1 . 5 . 965 . 1 1 8 GLN H H 4.469 -6.857 3.226 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19471_2md4 1 . 5 . 966 . 1 1 8 GLN HA H 3.445 -8.930 4.920 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19471_2md4 1 . 5 . 967 . 1 1 8 GLN HB2 H 1.923 -7.268 4.051 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19471_2md4 1 . 5 . 968 . 1 1 8 GLN HB3 H 2.362 -7.672 2.396 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19471_2md4 1 . 5 . 969 . 1 1 8 GLN HE21 H -0.676 -9.994 4.880 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19471_2md4 1 . 5 . 970 . 1 1 8 GLN HE22 H -1.902 -8.786 4.730 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19471_2md4 1 . 5 . 971 . 1 1 8 GLN HG2 H 1.058 -9.517 2.350 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19471_2md4 1 . 5 . 972 . 1 1 8 GLN HG3 H 1.302 -9.869 4.060 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19471_2md4 1 . 5 . 973 . 1 1 8 GLN N N 4.601 -7.639 3.800 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19471_2md4 1 . 5 . 974 . 1 1 8 GLN NE2 N -1.023 -9.155 4.508 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19471_2md4 1 . 5 . 975 . 1 1 8 GLN O O 3.483 -10.992 3.383 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19471_2md4 1 . 5 . 976 . 1 1 8 GLN OE1 O -0.610 -7.422 3.142 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19471_2md4 1 . 5 . 977 . 1 1 9 GLU C C 5.752 -11.910 1.988 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19471_2md4 1 . 5 . 978 . 1 1 9 GLU CA C 5.132 -10.783 1.165 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19471_2md4 1 . 5 . 979 . 1 1 9 GLU CB C 6.134 -10.289 0.120 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19471_2md4 1 . 5 . 980 . 1 1 9 GLU CD C 5.913 -12.371 -1.293 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19471_2md4 1 . 5 . 981 . 1 1 9 GLU CG C 6.862 -11.409 -0.604 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19471_2md4 1 . 5 . 982 . 1 1 9 GLU H H 5.022 -8.775 1.826 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19471_2md4 1 . 5 . 983 . 1 1 9 GLU HA H 4.257 -11.163 0.660 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19471_2md4 1 . 5 . 984 . 1 1 9 GLU HB2 H 5.608 -9.696 -0.613 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19471_2md4 1 . 5 . 985 . 1 1 9 GLU HB3 H 6.870 -9.669 0.611 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19471_2md4 1 . 5 . 986 . 1 1 9 GLU HG2 H 7.514 -10.976 -1.347 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19471_2md4 1 . 5 . 987 . 1 1 9 GLU HG3 H 7.451 -11.961 0.114 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19471_2md4 1 . 5 . 988 . 1 1 9 GLU N N 4.711 -9.683 2.025 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19471_2md4 1 . 5 . 989 . 1 1 9 GLU O O 5.546 -13.089 1.701 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19471_2md4 1 . 5 . 990 . 1 1 9 GLU OE1 O 4.976 -11.897 -1.969 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19471_2md4 1 . 5 . 991 . 1 1 9 GLU OE2 O 6.107 -13.597 -1.157 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19471_2md4 1 . 5 . 992 . 1 1 10 LYS C C 6.253 -12.903 5.038 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19471_2md4 1 . 5 . 993 . 1 1 10 LYS CA C 7.162 -12.513 3.877 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19471_2md4 1 . 5 . 994 . 1 1 10 LYS CB C 8.480 -11.951 4.415 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19471_2md4 1 . 5 . 995 . 1 1 10 LYS CD C 8.810 -9.468 4.596 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19471_2md4 1 . 5 . 996 . 1 1 10 LYS CE C 9.527 -8.543 5.568 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19471_2md4 1 . 5 . 997 . 1 1 10 LYS CG C 8.305 -10.722 5.289 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19471_2md4 1 . 5 . 998 . 1 1 10 LYS H H 6.638 -10.581 3.190 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19471_2md4 1 . 5 . 999 . 1 1 10 LYS HA H 7.370 -13.393 3.288 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19471_2md4 1 . 5 . 1000 . 1 1 10 LYS HB2 H 8.972 -12.715 4.998 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19471_2md4 1 . 5 . 1001 . 1 1 10 LYS HB3 H 9.112 -11.686 3.579 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19471_2md4 1 . 5 . 1002 . 1 1 10 LYS HD2 H 9.498 -9.751 3.813 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19471_2md4 1 . 5 . 1003 . 1 1 10 LYS HD3 H 7.970 -8.942 4.165 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19471_2md4 1 . 5 . 1004 . 1 1 10 LYS HE2 H 10.373 -9.067 5.985 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19471_2md4 1 . 5 . 1005 . 1 1 10 LYS HE3 H 9.872 -7.673 5.028 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19471_2md4 1 . 5 . 1006 . 1 1 10 LYS HG2 H 7.257 -10.598 5.515 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19471_2md4 1 . 5 . 1007 . 1 1 10 LYS HG3 H 8.859 -10.862 6.207 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19471_2md4 1 . 5 . 1008 . 1 1 10 LYS HZ1 H 8.674 -8.786 7.459 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 5 . 1009 . 1 1 10 LYS HZ2 H 7.652 -8.037 6.338 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 5 . 1010 . 1 1 10 LYS HZ3 H 8.931 -7.171 7.026 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 5 . 1011 . 1 1 10 LYS N N 6.512 -11.537 3.012 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19471_2md4 1 . 5 . 1012 . 1 1 10 LYS NZ N 8.634 -8.103 6.675 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19471_2md4 1 . 5 . 1013 . 1 1 10 LYS O O 6.690 -13.542 5.995 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19471_2md4 1 . 5 . 1014 . 1 1 11 PHE C C 2.887 -13.696 5.441 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19471_2md4 1 . 5 . 1015 . 1 1 11 PHE CA C 4.013 -12.824 5.988 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19471_2md4 1 . 5 . 1016 . 1 1 11 PHE CB C 3.436 -11.535 6.575 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19471_2md4 1 . 5 . 1017 . 1 1 11 PHE CD1 C 5.612 -11.239 7.788 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19471_2md4 1 . 5 . 1018 . 1 1 11 PHE CD2 C 4.269 -9.311 7.384 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19471_2md4 1 . 5 . 1019 . 1 1 11 PHE CE1 C 6.557 -10.453 8.421 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19471_2md4 1 . 5 . 1020 . 1 1 11 PHE CE2 C 5.211 -8.520 8.016 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19471_2md4 1 . 5 . 1021 . 1 1 11 PHE CG C 4.460 -10.678 7.263 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19471_2md4 1 . 5 . 1022 . 1 1 11 PHE CZ C 6.355 -9.092 8.536 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19471_2md4 1 . 5 . 1023 . 1 1 11 PHE H H 4.696 -12.008 4.158 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19471_2md4 1 . 5 . 1024 . 1 1 11 PHE HA H 4.526 -13.367 6.768 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19471_2md4 1 . 5 . 1025 . 1 1 11 PHE HB2 H 2.995 -10.952 5.781 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19471_2md4 1 . 5 . 1026 . 1 1 11 PHE HB3 H 2.673 -11.787 7.297 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19471_2md4 1 . 5 . 1027 . 1 1 11 PHE HD1 H 5.771 -12.305 7.699 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19471_2md4 1 . 5 . 1028 . 1 1 11 PHE HD2 H 3.374 -8.862 6.979 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19471_2md4 1 . 5 . 1029 . 1 1 11 PHE HE1 H 7.451 -10.904 8.826 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19471_2md4 1 . 5 . 1030 . 1 1 11 PHE HE2 H 5.050 -7.456 8.104 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19471_2md4 1 . 5 . 1031 . 1 1 11 PHE HZ H 7.092 -8.476 9.029 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19471_2md4 1 . 5 . 1032 . 1 1 11 PHE N N 4.985 -12.515 4.946 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19471_2md4 1 . 5 . 1033 . 1 1 11 PHE O O 2.314 -14.513 6.160 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19471_2md4 1 . 5 . 1034 . 1 1 12 GLY C C 1.725 -15.784 3.697 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19471_2md4 1 . 5 . 1035 . 1 1 12 GLY CA C 1.518 -14.291 3.538 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19471_2md4 1 . 5 . 1036 . 1 1 12 GLY H H 3.066 -12.849 3.636 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19471_2md4 1 . 5 . 1037 . 1 1 12 GLY HA2 H 0.575 -14.019 3.987 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19471_2md4 1 . 5 . 1038 . 1 1 12 GLY HA3 H 1.487 -14.054 2.485 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19471_2md4 1 . 5 . 1039 . 1 1 12 GLY N N 2.575 -13.515 4.161 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19471_2md4 1 . 5 . 1040 . 1 1 12 GLY O O 2.498 -16.393 2.956 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19471_2md4 1 . 6 . 1041 . 1 1 1 TRP C C 3.344 -0.921 -1.081 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19471_2md4 1 . 6 . 1042 . 1 1 1 TRP CA C 2.155 0.031 -1.148 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19471_2md4 1 . 6 . 1043 . 1 1 1 TRP CB C 2.635 1.444 -1.480 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19471_2md4 1 . 6 . 1044 . 1 1 1 TRP CD1 C 4.969 2.167 -0.709 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19471_2md4 1 . 6 . 1045 . 1 1 1 TRP CD2 C 3.375 2.392 0.848 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19471_2md4 1 . 6 . 1046 . 1 1 1 TRP CE2 C 4.600 2.820 1.394 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19471_2md4 1 . 6 . 1047 . 1 1 1 TRP CE3 C 2.227 2.443 1.644 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19471_2md4 1 . 6 . 1048 . 1 1 1 TRP CG C 3.633 1.979 -0.499 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19471_2md4 1 . 6 . 1049 . 1 1 1 TRP CH2 C 3.569 3.331 3.457 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19471_2md4 1 . 6 . 1050 . 1 1 1 TRP CZ2 C 4.708 3.291 2.700 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19471_2md4 1 . 6 . 1051 . 1 1 1 TRP CZ3 C 2.336 2.911 2.939 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19471_2md4 1 . 6 . 1052 . 1 1 1 TRP H1 H 1.912 0.019 0.955 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19471_2md4 1 . 6 . 1053 . 1 1 1 TRP HA H 1.484 -0.304 -1.925 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19471_2md4 1 . 6 . 1054 . 1 1 1 TRP HB2 H 3.096 1.441 -2.457 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1055 . 1 1 1 TRP HB3 H 1.785 2.112 -1.490 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1056 . 1 1 1 TRP HD1 H 5.476 1.945 -1.636 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19471_2md4 1 . 6 . 1057 . 1 1 1 TRP HE1 H 6.507 2.893 0.524 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19471_2md4 1 . 6 . 1058 . 1 1 1 TRP HE3 H 1.268 2.124 1.263 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19471_2md4 1 . 6 . 1059 . 1 1 1 TRP HH2 H 3.607 3.689 4.474 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19471_2md4 1 . 6 . 1060 . 1 1 1 TRP HZ2 H 5.651 3.619 3.113 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19471_2md4 1 . 6 . 1061 . 1 1 1 TRP HZ3 H 1.460 2.958 3.570 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19471_2md4 1 . 6 . 1062 . 1 1 1 TRP N N 1.416 0.030 0.110 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19471_2md4 1 . 6 . 1063 . 1 1 1 TRP NE1 N 5.557 2.672 0.426 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19471_2md4 1 . 6 . 1064 . 1 1 1 TRP O O 3.271 -1.980 -0.457 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19471_2md4 1 . 6 . 1065 . 1 1 2 LYS C C 6.088 -1.698 -0.323 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19471_2md4 1 . 6 . 1066 . 1 1 2 LYS CA C 5.646 -1.356 -1.742 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19471_2md4 1 . 6 . 1067 . 1 1 2 LYS CB C 6.774 -0.627 -2.476 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19471_2md4 1 . 6 . 1068 . 1 1 2 LYS CD C 8.161 0.576 -0.762 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19471_2md4 1 . 6 . 1069 . 1 1 2 LYS CE C 8.895 1.750 -1.393 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19471_2md4 1 . 6 . 1070 . 1 1 2 LYS CG C 8.086 -0.609 -1.711 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19471_2md4 1 . 6 . 1071 . 1 1 2 LYS H H 4.437 0.317 -2.209 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19471_2md4 1 . 6 . 1072 . 1 1 2 LYS HA H 5.420 -2.272 -2.267 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19471_2md4 1 . 6 . 1073 . 1 1 2 LYS HB2 H 6.942 -1.112 -3.426 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1074 . 1 1 2 LYS HB3 H 6.470 0.395 -2.652 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1075 . 1 1 2 LYS HD2 H 7.159 0.887 -0.508 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19471_2md4 1 . 6 . 1076 . 1 1 2 LYS HD3 H 8.685 0.275 0.134 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19471_2md4 1 . 6 . 1077 . 1 1 2 LYS HE2 H 8.889 2.576 -0.699 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19471_2md4 1 . 6 . 1078 . 1 1 2 LYS HE3 H 9.915 1.455 -1.592 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19471_2md4 1 . 6 . 1079 . 1 1 2 LYS HG2 H 8.171 -1.520 -1.139 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19471_2md4 1 . 6 . 1080 . 1 1 2 LYS HG3 H 8.902 -0.546 -2.416 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19471_2md4 1 . 6 . 1081 . 1 1 2 LYS HZ1 H 7.238 2.331 -2.525 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 6 . 1082 . 1 1 2 LYS HZ2 H 8.391 1.454 -3.398 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 6 . 1083 . 1 1 2 LYS HZ3 H 8.685 3.070 -2.997 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 6 . 1084 . 1 1 2 LYS N N 4.440 -0.538 -1.729 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19471_2md4 1 . 6 . 1085 . 1 1 2 LYS NZ N 8.257 2.182 -2.667 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19471_2md4 1 . 6 . 1086 . 1 1 2 LYS O O 6.600 -2.789 -0.067 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19471_2md4 1 . 6 . 1087 . 1 1 3 LEU C C 5.285 -1.910 2.686 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19471_2md4 1 . 6 . 1088 . 1 1 3 LEU CA C 6.260 -0.965 1.992 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19471_2md4 1 . 6 . 1089 . 1 1 3 LEU CB C 6.302 0.375 2.730 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19471_2md4 1 . 6 . 1090 . 1 1 3 LEU CD1 C 5.515 0.006 5.081 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19471_2md4 1 . 6 . 1091 . 1 1 3 LEU CD2 C 7.813 -0.715 4.407 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19471_2md4 1 . 6 . 1092 . 1 1 3 LEU CG C 6.715 0.318 4.201 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19471_2md4 1 . 6 . 1093 . 1 1 3 LEU H H 5.472 0.087 0.333 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19471_2md4 1 . 6 . 1094 . 1 1 3 LEU HA H 7.245 -1.407 2.009 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19471_2md4 1 . 6 . 1095 . 1 1 3 LEU HB2 H 7.002 1.014 2.214 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1096 . 1 1 3 LEU HB3 H 5.314 0.811 2.679 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1097 . 1 1 3 LEU HD11 H 5.451 0.735 5.874 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19471_2md4 1 . 6 . 1098 . 1 1 3 LEU HD12 H 5.627 -0.980 5.506 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19471_2md4 1 . 6 . 1099 . 1 1 3 LEU HD13 H 4.614 0.041 4.486 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19471_2md4 1 . 6 . 1100 . 1 1 3 LEU HD21 H 8.722 -0.374 3.933 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19471_2md4 1 . 6 . 1101 . 1 1 3 LEU HD22 H 7.509 -1.655 3.970 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19471_2md4 1 . 6 . 1102 . 1 1 3 LEU HD23 H 7.986 -0.850 5.465 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19471_2md4 1 . 6 . 1103 . 1 1 3 LEU HG H 7.103 1.283 4.496 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19471_2md4 1 . 6 . 1104 . 1 1 3 LEU N N 5.884 -0.762 0.597 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19471_2md4 1 . 6 . 1105 . 1 1 3 LEU O O 5.562 -2.415 3.775 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19471_2md4 1 . 6 . 1106 . 1 1 4 LEU C C 3.213 -4.422 1.975 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19471_2md4 1 . 6 . 1107 . 1 1 4 LEU CA C 3.127 -3.035 2.604 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19471_2md4 1 . 6 . 1108 . 1 1 4 LEU CB C 1.733 -2.447 2.382 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19471_2md4 1 . 6 . 1109 . 1 1 4 LEU CD1 C 1.256 -2.141 4.823 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19471_2md4 1 . 6 . 1110 . 1 1 4 LEU CD2 C 2.073 -0.209 3.460 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19471_2md4 1 . 6 . 1111 . 1 1 4 LEU CG C 1.234 -1.479 3.455 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19471_2md4 1 . 6 . 1112 . 1 1 4 LEU H H 3.980 -1.716 1.185 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19471_2md4 1 . 6 . 1113 . 1 1 4 LEU HA H 3.308 -3.122 3.665 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19471_2md4 1 . 6 . 1114 . 1 1 4 LEU HB2 H 1.742 -1.920 1.440 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1115 . 1 1 4 LEU HB3 H 1.033 -3.269 2.325 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1116 . 1 1 4 LEU HD11 H 0.252 -2.188 5.217 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19471_2md4 1 . 6 . 1117 . 1 1 4 LEU HD12 H 1.878 -1.564 5.492 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19471_2md4 1 . 6 . 1118 . 1 1 4 LEU HD13 H 1.656 -3.140 4.733 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19471_2md4 1 . 6 . 1119 . 1 1 4 LEU HD21 H 1.426 0.651 3.379 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19471_2md4 1 . 6 . 1120 . 1 1 4 LEU HD22 H 2.756 -0.227 2.623 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19471_2md4 1 . 6 . 1121 . 1 1 4 LEU HD23 H 2.634 -0.153 4.382 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19471_2md4 1 . 6 . 1122 . 1 1 4 LEU HG H 0.211 -1.203 3.235 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19471_2md4 1 . 6 . 1123 . 1 1 4 LEU N N 4.144 -2.147 2.049 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19471_2md4 1 . 6 . 1124 . 1 1 4 LEU O O 2.976 -5.431 2.639 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19471_2md4 1 . 6 . 1125 . 1 1 5 SER C C 5.021 -6.387 0.248 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19471_2md4 1 . 6 . 1126 . 1 1 5 SER CA C 3.673 -5.727 -0.027 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19471_2md4 1 . 6 . 1127 . 1 1 5 SER CB C 3.501 -5.500 -1.531 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19471_2md4 1 . 6 . 1128 . 1 1 5 SER H H 3.734 -3.625 0.217 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19471_2md4 1 . 6 . 1129 . 1 1 5 SER HA H 2.888 -6.380 0.322 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19471_2md4 1 . 6 . 1130 . 1 1 5 SER HB2 H 4.344 -4.942 -1.907 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1131 . 1 1 5 SER HB3 H 3.448 -6.455 -2.032 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1132 . 1 1 5 SER HG H 2.346 -3.928 -1.353 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19471_2md4 1 . 6 . 1133 . 1 1 5 SER N N 3.557 -4.464 0.692 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19471_2md4 1 . 6 . 1134 . 1 1 5 SER O O 5.127 -7.612 0.296 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19471_2md4 1 . 6 . 1135 . 1 1 5 SER OG O 2.315 -4.774 -1.804 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19471_2md4 1 . 6 . 1136 . 1 1 6 LYS C C 7.456 -6.734 2.068 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19471_2md4 1 . 6 . 1137 . 1 1 6 LYS CA C 7.391 -6.065 0.698 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19471_2md4 1 . 6 . 1138 . 1 1 6 LYS CB C 8.408 -4.923 0.628 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19471_2md4 1 . 6 . 1139 . 1 1 6 LYS CD C 9.870 -4.509 2.628 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19471_2md4 1 . 6 . 1140 . 1 1 6 LYS CE C 10.977 -3.468 2.573 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19471_2md4 1 . 6 . 1141 . 1 1 6 LYS CG C 9.729 -5.243 1.305 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19471_2md4 1 . 6 . 1142 . 1 1 6 LYS H H 5.901 -4.596 0.376 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19471_2md4 1 . 6 . 1143 . 1 1 6 LYS HA H 7.632 -6.797 -0.058 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19471_2md4 1 . 6 . 1144 . 1 1 6 LYS HB2 H 8.604 -4.695 -0.409 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1145 . 1 1 6 LYS HB3 H 7.985 -4.051 1.105 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1146 . 1 1 6 LYS HD2 H 8.937 -4.015 2.857 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19471_2md4 1 . 6 . 1147 . 1 1 6 LYS HD3 H 10.099 -5.226 3.405 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19471_2md4 1 . 6 . 1148 . 1 1 6 LYS HE2 H 11.864 -3.926 2.163 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19471_2md4 1 . 6 . 1149 . 1 1 6 LYS HE3 H 10.660 -2.659 1.932 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19471_2md4 1 . 6 . 1150 . 1 1 6 LYS HG2 H 9.782 -6.306 1.488 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19471_2md4 1 . 6 . 1151 . 1 1 6 LYS HG3 H 10.538 -4.947 0.652 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19471_2md4 1 . 6 . 1152 . 1 1 6 LYS HZ1 H 10.501 -2.344 4.269 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 6 . 1153 . 1 1 6 LYS HZ2 H 12.147 -2.330 3.877 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 6 . 1154 . 1 1 6 LYS HZ3 H 11.459 -3.700 4.593 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 6 . 1155 . 1 1 6 LYS N N 6.049 -5.564 0.427 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19471_2md4 1 . 6 . 1156 . 1 1 6 LYS NZ N 11.293 -2.922 3.923 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19471_2md4 1 . 6 . 1157 . 1 1 6 LYS O O 8.080 -7.782 2.228 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19471_2md4 1 . 6 . 1158 . 1 1 7 ALA C C 5.753 -7.773 4.540 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19471_2md4 1 . 6 . 1159 . 1 1 7 ALA CA C 6.786 -6.660 4.406 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19471_2md4 1 . 6 . 1160 . 1 1 7 ALA CB C 6.505 -5.552 5.410 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19471_2md4 1 . 6 . 1161 . 1 1 7 ALA H H 6.326 -5.288 2.861 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19471_2md4 1 . 6 . 1162 . 1 1 7 ALA HA H 7.766 -7.064 4.618 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19471_2md4 1 . 6 . 1163 . 1 1 7 ALA HB1 H 6.199 -5.988 6.350 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19471_2md4 1 . 6 . 1164 . 1 1 7 ALA HB2 H 7.399 -4.965 5.559 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1165 . 1 1 7 ALA HB3 H 5.716 -4.918 5.034 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1166 . 1 1 7 ALA N N 6.805 -6.121 3.052 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19471_2md4 1 . 6 . 1167 . 1 1 7 ALA O O 5.971 -8.751 5.254 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19471_2md4 1 . 6 . 1168 . 1 1 8 GLN C C 3.921 -9.833 3.057 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19471_2md4 1 . 6 . 1169 . 1 1 8 GLN CA C 3.561 -8.609 3.893 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19471_2md4 1 . 6 . 1170 . 1 1 8 GLN CB C 2.250 -8.001 3.391 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19471_2md4 1 . 6 . 1171 . 1 1 8 GLN CD C -0.221 -8.393 3.745 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19471_2md4 1 . 6 . 1172 . 1 1 8 GLN CG C 1.104 -8.998 3.323 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19471_2md4 1 . 6 . 1173 . 1 1 8 GLN H H 4.514 -6.815 3.297 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19471_2md4 1 . 6 . 1174 . 1 1 8 GLN HA H 3.435 -8.915 4.920 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19471_2md4 1 . 6 . 1175 . 1 1 8 GLN HB2 H 1.962 -7.198 4.053 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1176 . 1 1 8 GLN HB3 H 2.409 -7.601 2.400 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1177 . 1 1 8 GLN HE21 H -0.739 -10.091 4.640 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19471_2md4 1 . 6 . 1178 . 1 1 8 GLN HE22 H -1.898 -8.813 4.726 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19471_2md4 1 . 6 . 1179 . 1 1 8 GLN HG2 H 1.012 -9.353 2.308 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19471_2md4 1 . 6 . 1180 . 1 1 8 GLN HG3 H 1.328 -9.828 3.976 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19471_2md4 1 . 6 . 1181 . 1 1 8 GLN N N 4.628 -7.616 3.849 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19471_2md4 1 . 6 . 1182 . 1 1 8 GLN NE2 N -1.036 -9.178 4.440 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19471_2md4 1 . 6 . 1183 . 1 1 8 GLN O O 3.463 -10.941 3.334 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19471_2md4 1 . 6 . 1184 . 1 1 8 GLN OE1 O -0.509 -7.233 3.449 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19471_2md4 1 . 6 . 1185 . 1 1 9 GLU C C 5.737 -11.870 1.965 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19471_2md4 1 . 6 . 1186 . 1 1 9 GLU CA C 5.162 -10.710 1.157 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19471_2md4 1 . 6 . 1187 . 1 1 9 GLU CB C 6.201 -10.212 0.150 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19471_2md4 1 . 6 . 1188 . 1 1 9 GLU CD C 7.599 -10.868 -1.849 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19471_2md4 1 . 6 . 1189 . 1 1 9 GLU CG C 6.945 -11.329 -0.561 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19471_2md4 1 . 6 . 1190 . 1 1 9 GLU H H 5.074 -8.717 1.863 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19471_2md4 1 . 6 . 1191 . 1 1 9 GLU HA H 4.293 -11.058 0.620 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19471_2md4 1 . 6 . 1192 . 1 1 9 GLU HB2 H 5.704 -9.608 -0.594 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1193 . 1 1 9 GLU HB3 H 6.925 -9.601 0.671 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1194 . 1 1 9 GLU HG2 H 7.712 -11.710 0.097 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19471_2md4 1 . 6 . 1195 . 1 1 9 GLU HG3 H 6.246 -12.120 -0.792 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19471_2md4 1 . 6 . 1196 . 1 1 9 GLU N N 4.743 -9.623 2.033 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19471_2md4 1 . 6 . 1197 . 1 1 9 GLU O O 5.505 -13.037 1.649 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19471_2md4 1 . 6 . 1198 . 1 1 9 GLU OE1 O 7.636 -9.643 -2.089 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19471_2md4 1 . 6 . 1199 . 1 1 9 GLU OE2 O 8.073 -11.731 -2.617 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19471_2md4 1 . 6 . 1200 . 1 1 10 LYS C C 6.157 -12.940 5.002 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19471_2md4 1 . 6 . 1201 . 1 1 10 LYS CA C 7.097 -12.552 3.865 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19471_2md4 1 . 6 . 1202 . 1 1 10 LYS CB C 8.420 -12.038 4.437 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19471_2md4 1 . 6 . 1203 . 1 1 10 LYS CD C 8.788 -9.556 4.555 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19471_2md4 1 . 6 . 1204 . 1 1 10 LYS CE C 9.595 -8.658 5.481 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19471_2md4 1 . 6 . 1205 . 1 1 10 LYS CG C 8.272 -10.786 5.283 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19471_2md4 1 . 6 . 1206 . 1 1 10 LYS H H 6.637 -10.592 3.211 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19471_2md4 1 . 6 . 1207 . 1 1 10 LYS HA H 7.291 -13.425 3.261 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19471_2md4 1 . 6 . 1208 . 1 1 10 LYS HB2 H 8.859 -12.812 5.049 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1209 . 1 1 10 LYS HB3 H 9.090 -11.816 3.618 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1210 . 1 1 10 LYS HD2 H 9.418 -9.870 3.737 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19471_2md4 1 . 6 . 1211 . 1 1 10 LYS HD3 H 7.947 -8.997 4.170 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19471_2md4 1 . 6 . 1212 . 1 1 10 LYS HE2 H 10.478 -9.192 5.798 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19471_2md4 1 . 6 . 1213 . 1 1 10 LYS HE3 H 9.886 -7.772 4.937 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19471_2md4 1 . 6 . 1214 . 1 1 10 LYS HG2 H 7.227 -10.641 5.516 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19471_2md4 1 . 6 . 1215 . 1 1 10 LYS HG3 H 8.832 -10.913 6.199 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19471_2md4 1 . 6 . 1216 . 1 1 10 LYS HZ1 H 8.895 -7.229 6.834 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 6 . 1217 . 1 1 10 LYS HZ2 H 9.173 -8.748 7.525 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 6 . 1218 . 1 1 10 LYS HZ3 H 7.811 -8.497 6.555 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 6 . 1219 . 1 1 10 LYS N N 6.489 -11.540 3.010 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19471_2md4 1 . 6 . 1220 . 1 1 10 LYS NZ N 8.814 -8.255 6.683 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19471_2md4 1 . 6 . 1221 . 1 1 10 LYS O O 6.567 -13.586 5.966 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19471_2md4 1 . 6 . 1222 . 1 1 11 PHE C C 2.754 -13.671 5.310 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19471_2md4 1 . 6 . 1223 . 1 1 11 PHE CA C 3.896 -12.849 5.899 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19471_2md4 1 . 6 . 1224 . 1 1 11 PHE CB C 3.348 -11.559 6.511 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19471_2md4 1 . 6 . 1225 . 1 1 11 PHE CD1 C 5.487 -11.378 7.810 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19471_2md4 1 . 6 . 1226 . 1 1 11 PHE CD2 C 4.250 -9.385 7.383 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19471_2md4 1 . 6 . 1227 . 1 1 11 PHE CE1 C 6.442 -10.645 8.489 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19471_2md4 1 . 6 . 1228 . 1 1 11 PHE CE2 C 5.201 -8.646 8.060 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19471_2md4 1 . 6 . 1229 . 1 1 11 PHE CG C 4.383 -10.758 7.249 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19471_2md4 1 . 6 . 1230 . 1 1 11 PHE CZ C 6.298 -9.277 8.615 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19471_2md4 1 . 6 . 1231 . 1 1 11 PHE H H 4.628 -12.030 4.089 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19471_2md4 1 . 6 . 1232 . 1 1 11 PHE HA H 4.379 -13.428 6.672 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19471_2md4 1 . 6 . 1233 . 1 1 11 PHE HB2 H 2.947 -10.937 5.725 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19471_2md4 1 . 6 . 1234 . 1 1 11 PHE HB3 H 2.559 -11.805 7.206 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19471_2md4 1 . 6 . 1235 . 1 1 11 PHE HD1 H 5.601 -12.449 7.712 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19471_2md4 1 . 6 . 1236 . 1 1 11 PHE HD2 H 3.393 -8.891 6.950 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19471_2md4 1 . 6 . 1237 . 1 1 11 PHE HE1 H 7.298 -11.141 8.921 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19471_2md4 1 . 6 . 1238 . 1 1 11 PHE HE2 H 5.086 -7.577 8.158 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19471_2md4 1 . 6 . 1239 . 1 1 11 PHE HZ H 7.042 -8.702 9.145 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19471_2md4 1 . 6 . 1240 . 1 1 11 PHE N N 4.895 -12.543 4.882 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19471_2md4 1 . 6 . 1241 . 1 1 11 PHE O O 2.162 -14.509 5.990 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19471_2md4 1 . 6 . 1242 . 1 1 12 GLY C C 1.894 -15.272 2.500 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19471_2md4 1 . 6 . 1243 . 1 1 12 GLY CA C 1.379 -14.149 3.379 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19471_2md4 1 . 6 . 1244 . 1 1 12 GLY H H 2.955 -12.746 3.546 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19471_2md4 1 . 6 . 1245 . 1 1 12 GLY HA2 H 0.724 -14.565 4.130 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19471_2md4 1 . 6 . 1246 . 1 1 12 GLY HA3 H 0.816 -13.458 2.768 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19471_2md4 1 . 6 . 1247 . 1 1 12 GLY N N 2.449 -13.425 4.039 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19471_2md4 1 . 6 . 1248 . 1 1 12 GLY O O 3.002 -15.195 1.970 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19471_2md4 1 . 7 . 1249 . 1 1 1 TRP C C 3.301 -0.848 -1.027 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19471_2md4 1 . 7 . 1250 . 1 1 1 TRP CA C 2.113 0.106 -1.067 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19471_2md4 1 . 7 . 1251 . 1 1 1 TRP CB C 2.590 1.523 -1.389 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19471_2md4 1 . 7 . 1252 . 1 1 1 TRP CD1 C 4.936 2.233 -0.640 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19471_2md4 1 . 7 . 1253 . 1 1 1 TRP CD2 C 3.362 2.442 0.940 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19471_2md4 1 . 7 . 1254 . 1 1 1 TRP CE2 C 4.595 2.862 1.476 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19471_2md4 1 . 7 . 1255 . 1 1 1 TRP CE3 C 2.225 2.486 1.751 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19471_2md4 1 . 7 . 1256 . 1 1 1 TRP CG C 3.602 2.044 -0.414 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19471_2md4 1 . 7 . 1257 . 1 1 1 TRP CH2 C 3.591 3.350 3.557 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19471_2md4 1 . 7 . 1258 . 1 1 1 TRP CZ2 C 4.720 3.318 2.785 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19471_2md4 1 . 7 . 1259 . 1 1 1 TRP CZ3 C 2.351 2.938 3.051 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19471_2md4 1 . 7 . 1260 . 1 1 1 TRP H1 H 1.897 0.071 1.039 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19471_2md4 1 . 7 . 1261 . 1 1 1 TRP HA H 1.431 -0.219 -1.840 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19471_2md4 1 . 7 . 1262 . 1 1 1 TRP HB2 H 3.039 1.530 -2.371 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1263 . 1 1 1 TRP HB3 H 1.742 2.191 -1.380 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1264 . 1 1 1 TRP HD1 H 5.430 2.021 -1.575 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19471_2md4 1 . 7 . 1265 . 1 1 1 TRP HE1 H 6.491 2.942 0.582 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19471_2md4 1 . 7 . 1266 . 1 1 1 TRP HE3 H 1.261 2.173 1.379 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19471_2md4 1 . 7 . 1267 . 1 1 1 TRP HH2 H 3.643 3.696 4.578 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19471_2md4 1 . 7 . 1268 . 1 1 1 TRP HZ2 H 5.669 3.639 3.190 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19471_2md4 1 . 7 . 1269 . 1 1 1 TRP HZ3 H 1.483 2.979 3.693 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19471_2md4 1 . 7 . 1270 . 1 1 1 TRP N N 1.390 0.091 0.200 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19471_2md4 1 . 7 . 1271 . 1 1 1 TRP NE1 N 5.539 2.724 0.493 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19471_2md4 1 . 7 . 1272 . 1 1 1 TRP O O 3.235 -1.914 -0.414 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19471_2md4 1 . 7 . 1273 . 1 1 2 LYS C C 6.053 -1.638 -0.313 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19471_2md4 1 . 7 . 1274 . 1 1 2 LYS CA C 5.594 -1.279 -1.722 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19471_2md4 1 . 7 . 1275 . 1 1 2 LYS CB C 6.713 -0.543 -2.462 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19471_2md4 1 . 7 . 1276 . 1 1 2 LYS CD C 8.124 0.637 -0.752 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19471_2md4 1 . 7 . 1277 . 1 1 2 LYS CE C 8.853 1.817 -1.377 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19471_2md4 1 . 7 . 1278 . 1 1 2 LYS CG C 8.035 -0.535 -1.714 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19471_2md4 1 . 7 . 1279 . 1 1 2 LYS H H 4.381 0.401 -2.154 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19471_2md4 1 . 7 . 1280 . 1 1 2 LYS HA H 5.360 -2.188 -2.255 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19471_2md4 1 . 7 . 1281 . 1 1 2 LYS HB2 H 6.868 -1.017 -3.420 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1282 . 1 1 2 LYS HB3 H 6.409 0.482 -2.623 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1283 . 1 1 2 LYS HD2 H 7.126 0.947 -0.482 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19471_2md4 1 . 7 . 1284 . 1 1 2 LYS HD3 H 8.658 0.324 0.135 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19471_2md4 1 . 7 . 1285 . 1 1 2 LYS HE2 H 8.849 2.638 -0.677 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19471_2md4 1 . 7 . 1286 . 1 1 2 LYS HE3 H 9.872 1.525 -1.584 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19471_2md4 1 . 7 . 1287 . 1 1 2 LYS HG2 H 8.127 -1.454 -1.154 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19471_2md4 1 . 7 . 1288 . 1 1 2 LYS HG3 H 8.842 -0.465 -2.429 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19471_2md4 1 . 7 . 1289 . 1 1 2 LYS HZ1 H 8.633 3.150 -2.971 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 7 . 1290 . 1 1 2 LYS HZ2 H 7.189 2.407 -2.494 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 7 . 1291 . 1 1 2 LYS HZ3 H 8.336 1.535 -3.381 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 7 . 1292 . 1 1 2 LYS N N 4.389 -0.459 -1.684 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19471_2md4 1 . 7 . 1293 . 1 1 2 LYS NZ N 8.208 2.258 -2.645 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19471_2md4 1 . 7 . 1294 . 1 1 2 LYS O O 6.568 -2.732 -0.076 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19471_2md4 1 . 7 . 1295 . 1 1 3 LEU C C 5.288 -1.884 2.704 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19471_2md4 1 . 7 . 1296 . 1 1 3 LEU CA C 6.256 -0.932 2.008 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19471_2md4 1 . 7 . 1297 . 1 1 3 LEU CB C 6.309 0.399 2.761 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19471_2md4 1 . 7 . 1298 . 1 1 3 LEU CD1 C 5.552 0.004 5.117 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19471_2md4 1 . 7 . 1299 . 1 1 3 LEU CD2 C 7.840 -0.713 4.405 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19471_2md4 1 . 7 . 1300 . 1 1 3 LEU CG C 6.741 0.325 4.225 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19471_2md4 1 . 7 . 1301 . 1 1 3 LEU H H 5.448 0.140 0.372 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19471_2md4 1 . 7 . 1302 . 1 1 3 LEU HA H 7.240 -1.375 2.007 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19471_2md4 1 . 7 . 1303 . 1 1 3 LEU HB2 H 7.003 1.043 2.243 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1304 . 1 1 3 LEU HB3 H 5.321 0.836 2.728 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1305 . 1 1 3 LEU HD11 H 5.501 0.723 5.921 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19471_2md4 1 . 7 . 1306 . 1 1 3 LEU HD12 H 5.668 -0.988 5.529 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19471_2md4 1 . 7 . 1307 . 1 1 3 LEU HD13 H 4.644 0.047 4.535 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19471_2md4 1 . 7 . 1308 . 1 1 3 LEU HD21 H 8.743 -0.368 3.923 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19471_2md4 1 . 7 . 1309 . 1 1 3 LEU HD22 H 7.529 -1.647 3.961 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19471_2md4 1 . 7 . 1310 . 1 1 3 LEU HD23 H 8.027 -0.860 5.459 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19471_2md4 1 . 7 . 1311 . 1 1 3 LEU HG H 7.135 1.286 4.527 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19471_2md4 1 . 7 . 1312 . 1 1 3 LEU N N 5.863 -0.712 0.620 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19471_2md4 1 . 7 . 1313 . 1 1 3 LEU O O 5.578 -2.402 3.783 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19471_2md4 1 . 7 . 1314 . 1 1 4 LEU C C 3.203 -4.385 1.988 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19471_2md4 1 . 7 . 1315 . 1 1 4 LEU CA C 3.129 -3.006 2.635 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19471_2md4 1 . 7 . 1316 . 1 1 4 LEU CB C 1.732 -2.413 2.440 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19471_2md4 1 . 7 . 1317 . 1 1 4 LEU CD1 C 1.294 -2.134 4.892 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19471_2md4 1 . 7 . 1318 . 1 1 4 LEU CD2 C 2.091 -0.188 3.538 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19471_2md4 1 . 7 . 1319 . 1 1 4 LEU CG C 1.250 -1.456 3.531 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19471_2md4 1 . 7 . 1320 . 1 1 4 LEU H H 3.965 -1.672 1.221 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19471_2md4 1 . 7 . 1321 . 1 1 4 LEU HA H 3.323 -3.107 3.693 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19471_2md4 1 . 7 . 1322 . 1 1 4 LEU HB2 H 1.730 -1.875 1.504 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1323 . 1 1 4 LEU HB3 H 1.031 -3.233 2.384 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1324 . 1 1 4 LEU HD11 H 1.688 -3.133 4.784 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19471_2md4 1 . 7 . 1325 . 1 1 4 LEU HD12 H 0.296 -2.182 5.302 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19471_2md4 1 . 7 . 1326 . 1 1 4 LEU HD13 H 1.929 -1.566 5.557 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19471_2md4 1 . 7 . 1327 . 1 1 4 LEU HD21 H 1.443 0.674 3.472 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19471_2md4 1 . 7 . 1328 . 1 1 4 LEU HD22 H 2.763 -0.198 2.693 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19471_2md4 1 . 7 . 1329 . 1 1 4 LEU HD23 H 2.663 -0.140 4.453 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19471_2md4 1 . 7 . 1330 . 1 1 4 LEU HG H 0.225 -1.178 3.330 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19471_2md4 1 . 7 . 1331 . 1 1 4 LEU N N 4.139 -2.113 2.078 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19471_2md4 1 . 7 . 1332 . 1 1 4 LEU O O 2.972 -5.402 2.641 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19471_2md4 1 . 7 . 1333 . 1 1 5 SER C C 4.984 -6.332 0.214 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19471_2md4 1 . 7 . 1334 . 1 1 5 SER CA C 3.634 -5.665 -0.037 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19471_2md4 1 . 7 . 1335 . 1 1 5 SER CB C 3.445 -5.418 -1.535 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19471_2md4 1 . 7 . 1336 . 1 1 5 SER H H 3.703 -3.566 0.233 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19471_2md4 1 . 7 . 1337 . 1 1 5 SER HA H 2.851 -6.321 0.313 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19471_2md4 1 . 7 . 1338 . 1 1 5 SER HB2 H 4.290 -4.865 -1.915 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1339 . 1 1 5 SER HB3 H 3.376 -6.367 -2.047 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1340 . 1 1 5 SER HG H 2.024 -4.758 -2.711 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19471_2md4 1 . 7 . 1341 . 1 1 5 SER N N 3.530 -4.411 0.700 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19471_2md4 1 . 7 . 1342 . 1 1 5 SER O O 5.087 -7.558 0.247 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19471_2md4 1 . 7 . 1343 . 1 1 5 SER OG O 2.263 -4.677 -1.784 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19471_2md4 1 . 7 . 1344 . 1 1 6 LYS C C 7.441 -6.703 2.001 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19471_2md4 1 . 7 . 1345 . 1 1 6 LYS CA C 7.361 -6.023 0.638 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19471_2md4 1 . 7 . 1346 . 1 1 6 LYS CB C 8.380 -4.885 0.563 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19471_2md4 1 . 7 . 1347 . 1 1 6 LYS CD C 9.880 -4.488 2.538 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19471_2md4 1 . 7 . 1348 . 1 1 6 LYS CE C 10.474 -5.397 3.603 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19471_2md4 1 . 7 . 1349 . 1 1 6 LYS CG C 9.711 -5.216 1.215 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19471_2md4 1 . 7 . 1350 . 1 1 6 LYS H H 5.871 -4.546 0.351 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19471_2md4 1 . 7 . 1351 . 1 1 6 LYS HA H 7.588 -6.750 -0.128 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19471_2md4 1 . 7 . 1352 . 1 1 6 LYS HB2 H 8.561 -4.647 -0.475 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1353 . 1 1 6 LYS HB3 H 7.968 -4.015 1.055 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1354 . 1 1 6 LYS HD2 H 10.538 -3.644 2.394 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19471_2md4 1 . 7 . 1355 . 1 1 6 LYS HD3 H 8.913 -4.139 2.873 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19471_2md4 1 . 7 . 1356 . 1 1 6 LYS HE2 H 10.203 -6.417 3.379 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19471_2md4 1 . 7 . 1357 . 1 1 6 LYS HE3 H 11.549 -5.297 3.584 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19471_2md4 1 . 7 . 1358 . 1 1 6 LYS HG2 H 9.759 -6.280 1.394 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19471_2md4 1 . 7 . 1359 . 1 1 6 LYS HG3 H 10.511 -4.924 0.550 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19471_2md4 1 . 7 . 1360 . 1 1 6 LYS HZ1 H 9.814 -4.029 5.037 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 7 . 1361 . 1 1 6 LYS HZ2 H 10.682 -5.330 5.680 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 7 . 1362 . 1 1 6 LYS HZ3 H 9.089 -5.552 5.159 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 7 . 1363 . 1 1 6 LYS N N 6.017 -5.515 0.389 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19471_2md4 1 . 7 . 1364 . 1 1 6 LYS NZ N 9.980 -5.052 4.965 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19471_2md4 1 . 7 . 1365 . 1 1 6 LYS O O 8.064 -7.755 2.144 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19471_2md4 1 . 7 . 1366 . 1 1 7 ALA C C 5.776 -7.763 4.485 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19471_2md4 1 . 7 . 1367 . 1 1 7 ALA CA C 6.804 -6.645 4.348 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19471_2md4 1 . 7 . 1368 . 1 1 7 ALA CB C 6.530 -5.546 5.365 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19471_2md4 1 . 7 . 1369 . 1 1 7 ALA H H 6.328 -5.260 2.821 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19471_2md4 1 . 7 . 1370 . 1 1 7 ALA HA H 7.787 -7.048 4.547 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19471_2md4 1 . 7 . 1371 . 1 1 7 ALA HB1 H 7.264 -5.597 6.155 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19471_2md4 1 . 7 . 1372 . 1 1 7 ALA HB2 H 6.590 -4.584 4.879 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1373 . 1 1 7 ALA HB3 H 5.543 -5.680 5.781 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1374 . 1 1 7 ALA N N 6.807 -6.096 2.998 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19471_2md4 1 . 7 . 1375 . 1 1 7 ALA O O 6.007 -8.748 5.185 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19471_2md4 1 . 7 . 1376 . 1 1 8 GLN C C 3.940 -9.822 3.025 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19471_2md4 1 . 7 . 1377 . 1 1 8 GLN CA C 3.578 -8.598 3.860 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19471_2md4 1 . 7 . 1378 . 1 1 8 GLN CB C 2.263 -7.996 3.360 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19471_2md4 1 . 7 . 1379 . 1 1 8 GLN CD C -0.189 -8.452 3.765 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19471_2md4 1 . 7 . 1380 . 1 1 8 GLN CG C 1.130 -9.005 3.262 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19471_2md4 1 . 7 . 1381 . 1 1 8 GLN H H 4.516 -6.795 3.271 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19471_2md4 1 . 7 . 1382 . 1 1 8 GLN HA H 3.455 -8.903 4.888 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19471_2md4 1 . 7 . 1383 . 1 1 8 GLN HB2 H 1.960 -7.211 4.037 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1384 . 1 1 8 GLN HB3 H 2.425 -7.573 2.380 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1385 . 1 1 8 GLN HE21 H -0.939 -8.499 1.924 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19471_2md4 1 . 7 . 1386 . 1 1 8 GLN HE22 H -2.002 -7.913 3.153 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19471_2md4 1 . 7 . 1387 . 1 1 8 GLN HG2 H 1.011 -9.294 2.229 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19471_2md4 1 . 7 . 1388 . 1 1 8 GLN HG3 H 1.387 -9.874 3.850 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19471_2md4 1 . 7 . 1389 . 1 1 8 GLN N N 4.641 -7.602 3.812 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19471_2md4 1 . 7 . 1390 . 1 1 8 GLN NE2 N -1.139 -8.269 2.856 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19471_2md4 1 . 7 . 1391 . 1 1 8 GLN O O 3.522 -10.939 3.330 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19471_2md4 1 . 7 . 1392 . 1 1 8 GLN OE1 O -0.352 -8.192 4.958 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19471_2md4 1 . 7 . 1393 . 1 1 9 GLU C C 5.764 -11.827 1.891 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19471_2md4 1 . 7 . 1394 . 1 1 9 GLU CA C 5.135 -10.690 1.091 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19471_2md4 1 . 7 . 1395 . 1 1 9 GLU CB C 6.128 -10.177 0.045 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19471_2md4 1 . 7 . 1396 . 1 1 9 GLU CD C 7.507 -10.794 -1.979 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19471_2md4 1 . 7 . 1397 . 1 1 9 GLU CG C 6.849 -11.285 -0.704 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19471_2md4 1 . 7 . 1398 . 1 1 9 GLU H H 5.019 -8.691 1.778 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19471_2md4 1 . 7 . 1399 . 1 1 9 GLU HA H 4.257 -11.063 0.586 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19471_2md4 1 . 7 . 1400 . 1 1 9 GLU HB2 H 5.596 -9.571 -0.673 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1401 . 1 1 9 GLU HB3 H 6.868 -9.565 0.540 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1402 . 1 1 9 GLU HG2 H 7.610 -11.701 -0.061 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19471_2md4 1 . 7 . 1403 . 1 1 9 GLU HG3 H 6.134 -12.054 -0.958 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19471_2md4 1 . 7 . 1404 . 1 1 9 GLU N N 4.718 -9.603 1.970 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19471_2md4 1 . 7 . 1405 . 1 1 9 GLU O O 5.522 -13.002 1.616 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19471_2md4 1 . 7 . 1406 . 1 1 9 GLU OE1 O 8.592 -10.182 -1.888 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19471_2md4 1 . 7 . 1407 . 1 1 9 GLU OE2 O 6.938 -11.021 -3.067 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19471_2md4 1 . 7 . 1408 . 1 1 10 LYS C C 6.388 -12.788 4.946 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19471_2md4 1 . 7 . 1409 . 1 1 10 LYS CA C 7.237 -12.456 3.724 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19471_2md4 1 . 7 . 1410 . 1 1 10 LYS CB C 8.608 -11.940 4.166 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19471_2md4 1 . 7 . 1411 . 1 1 10 LYS CD C 8.989 -9.474 4.456 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19471_2md4 1 . 7 . 1412 . 1 1 10 LYS CE C 9.746 -8.581 5.427 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19471_2md4 1 . 7 . 1413 . 1 1 10 LYS CG C 8.535 -10.762 5.122 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19471_2md4 1 . 7 . 1414 . 1 1 10 LYS H H 6.726 -10.514 3.052 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19471_2md4 1 . 7 . 1415 . 1 1 10 LYS HA H 7.371 -13.353 3.139 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19471_2md4 1 . 7 . 1416 . 1 1 10 LYS HB2 H 9.140 -12.742 4.657 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1417 . 1 1 10 LYS HB3 H 9.163 -11.633 3.292 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1418 . 1 1 10 LYS HD2 H 9.638 -9.717 3.627 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19471_2md4 1 . 7 . 1419 . 1 1 10 LYS HD3 H 8.121 -8.941 4.092 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19471_2md4 1 . 7 . 1420 . 1 1 10 LYS HE2 H 10.569 -9.141 5.844 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19471_2md4 1 . 7 . 1421 . 1 1 10 LYS HE3 H 10.129 -7.728 4.887 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19471_2md4 1 . 7 . 1422 . 1 1 10 LYS HG2 H 7.514 -10.642 5.454 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19471_2md4 1 . 7 . 1423 . 1 1 10 LYS HG3 H 9.171 -10.960 5.973 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19471_2md4 1 . 7 . 1424 . 1 1 10 LYS HZ1 H 9.158 -7.144 6.824 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 7 . 1425 . 1 1 10 LYS HZ2 H 8.956 -8.738 7.354 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 7 . 1426 . 1 1 10 LYS HZ3 H 7.882 -8.080 6.225 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 7 . 1427 . 1 1 10 LYS N N 6.573 -11.468 2.882 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19471_2md4 1 . 7 . 1428 . 1 1 10 LYS NZ N 8.875 -8.102 6.535 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19471_2md4 1 . 7 . 1429 . 1 1 10 LYS O O 6.861 -13.422 5.890 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19471_2md4 1 . 7 . 1430 . 1 1 11 PHE C C 3.139 -13.611 5.627 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19471_2md4 1 . 7 . 1431 . 1 1 11 PHE CA C 4.216 -12.608 6.030 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19471_2md4 1 . 7 . 1432 . 1 1 11 PHE CB C 3.566 -11.302 6.490 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19471_2md4 1 . 7 . 1433 . 1 1 11 PHE CD1 C 5.824 -10.731 7.423 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19471_2md4 1 . 7 . 1434 . 1 1 11 PHE CD2 C 4.158 -9.026 7.365 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19471_2md4 1 . 7 . 1435 . 1 1 11 PHE CE1 C 6.719 -9.843 7.989 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19471_2md4 1 . 7 . 1436 . 1 1 11 PHE CE2 C 5.049 -8.133 7.930 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19471_2md4 1 . 7 . 1437 . 1 1 11 PHE CG C 4.535 -10.334 7.105 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19471_2md4 1 . 7 . 1438 . 1 1 11 PHE CZ C 6.330 -8.542 8.244 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19471_2md4 1 . 7 . 1439 . 1 1 11 PHE H H 4.812 -11.856 4.143 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19471_2md4 1 . 7 . 1440 . 1 1 11 PHE HA H 4.789 -13.022 6.845 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19471_2md4 1 . 7 . 1441 . 1 1 11 PHE HB2 H 3.108 -10.817 5.640 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19471_2md4 1 . 7 . 1442 . 1 1 11 PHE HB3 H 2.806 -11.525 7.224 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19471_2md4 1 . 7 . 1443 . 1 1 11 PHE HD1 H 6.129 -11.749 7.224 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19471_2md4 1 . 7 . 1444 . 1 1 11 PHE HD2 H 3.156 -8.705 7.121 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19471_2md4 1 . 7 . 1445 . 1 1 11 PHE HE1 H 7.720 -10.166 8.233 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19471_2md4 1 . 7 . 1446 . 1 1 11 PHE HE2 H 4.743 -7.117 8.128 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19471_2md4 1 . 7 . 1447 . 1 1 11 PHE HZ H 7.028 -7.846 8.685 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19471_2md4 1 . 7 . 1448 . 1 1 11 PHE N N 5.131 -12.356 4.923 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19471_2md4 1 . 7 . 1449 . 1 1 11 PHE O O 2.616 -14.347 6.463 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19471_2md4 1 . 7 . 1450 . 1 1 12 GLY C C 2.364 -15.914 3.510 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19471_2md4 1 . 7 . 1451 . 1 1 12 GLY CA C 1.798 -14.549 3.847 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19471_2md4 1 . 7 . 1452 . 1 1 12 GLY H H 3.261 -13.024 3.717 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19471_2md4 1 . 7 . 1453 . 1 1 12 GLY HA2 H 1.034 -14.663 4.602 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19471_2md4 1 . 7 . 1454 . 1 1 12 GLY HA3 H 1.350 -14.128 2.958 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19471_2md4 1 . 7 . 1455 . 1 1 12 GLY N N 2.811 -13.634 4.339 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19471_2md4 1 . 7 . 1456 . 1 1 12 GLY O O 3.251 -16.414 4.202 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19471_2md4 1 . 8 . 1457 . 1 1 1 TRP C C 3.225 -0.875 -1.113 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19471_2md4 1 . 8 . 1458 . 1 1 1 TRP CA C 2.041 0.084 -1.156 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19471_2md4 1 . 8 . 1459 . 1 1 1 TRP CB C 2.528 1.501 -1.462 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19471_2md4 1 . 8 . 1460 . 1 1 1 TRP CD1 C 4.873 2.189 -0.687 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19471_2md4 1 . 8 . 1461 . 1 1 1 TRP CD2 C 3.286 2.403 0.878 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19471_2md4 1 . 8 . 1462 . 1 1 1 TRP CE2 C 4.517 2.811 1.428 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19471_2md4 1 . 8 . 1463 . 1 1 1 TRP CE3 C 2.142 2.453 1.679 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19471_2md4 1 . 8 . 1464 . 1 1 1 TRP CG C 3.535 2.010 -0.475 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19471_2md4 1 . 8 . 1465 . 1 1 1 TRP CH2 C 3.498 3.297 3.502 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19471_2md4 1 . 8 . 1466 . 1 1 1 TRP CZ2 C 4.634 3.259 2.741 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19471_2md4 1 . 8 . 1467 . 1 1 1 TRP CZ3 C 2.259 2.898 2.982 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19471_2md4 1 . 8 . 1468 . 1 1 1 TRP H1 H 1.808 0.046 0.949 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19471_2md4 1 . 8 . 1469 . 1 1 1 TRP HA H 1.365 -0.231 -1.936 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19471_2md4 1 . 8 . 1470 . 1 1 1 TRP HB2 H 2.984 1.515 -2.441 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1471 . 1 1 1 TRP HB3 H 1.683 2.174 -1.454 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1472 . 1 1 1 TRP HD1 H 5.374 1.978 -1.619 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19471_2md4 1 . 8 . 1473 . 1 1 1 TRP HE1 H 6.422 2.879 0.552 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19471_2md4 1 . 8 . 1474 . 1 1 1 TRP HE3 H 1.178 2.149 1.297 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19471_2md4 1 . 8 . 1475 . 1 1 1 TRP HH2 H 3.543 3.638 4.525 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19471_2md4 1 . 8 . 1476 . 1 1 1 TRP HZ2 H 5.581 3.571 3.156 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19471_2md4 1 . 8 . 1477 . 1 1 1 TRP HZ3 H 1.386 2.943 3.616 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19471_2md4 1 . 8 . 1478 . 1 1 1 TRP N N 1.309 0.063 0.105 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19471_2md4 1 . 8 . 1479 . 1 1 1 TRP NE1 N 5.469 2.670 0.453 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19471_2md4 1 . 8 . 1480 . 1 1 1 TRP O O 3.150 -1.944 -0.506 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19471_2md4 1 . 8 . 1481 . 1 1 2 LYS C C 5.966 -1.686 -0.386 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19471_2md4 1 . 8 . 1482 . 1 1 2 LYS CA C 5.520 -1.313 -1.797 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19471_2md4 1 . 8 . 1483 . 1 1 2 LYS CB C 6.649 -0.576 -2.522 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19471_2md4 1 . 8 . 1484 . 1 1 2 LYS CD C 7.807 0.980 -0.926 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19471_2md4 1 . 8 . 1485 . 1 1 2 LYS CE C 9.144 1.341 -0.297 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19471_2md4 1 . 8 . 1486 . 1 1 2 LYS CG C 7.879 -0.349 -1.660 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19471_2md4 1 . 8 . 1487 . 1 1 2 LYS H H 4.318 0.375 -2.227 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19471_2md4 1 . 8 . 1488 . 1 1 2 LYS HA H 5.286 -2.217 -2.338 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19471_2md4 1 . 8 . 1489 . 1 1 2 LYS HB2 H 6.942 -1.153 -3.386 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1490 . 1 1 2 LYS HB3 H 6.282 0.386 -2.850 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1491 . 1 1 2 LYS HD2 H 7.531 1.754 -1.626 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19471_2md4 1 . 8 . 1492 . 1 1 2 LYS HD3 H 7.060 0.912 -0.148 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19471_2md4 1 . 8 . 1493 . 1 1 2 LYS HE2 H 9.923 1.200 -1.031 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19471_2md4 1 . 8 . 1494 . 1 1 2 LYS HE3 H 9.117 2.378 0.004 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19471_2md4 1 . 8 . 1495 . 1 1 2 LYS HG2 H 7.951 -1.145 -0.934 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19471_2md4 1 . 8 . 1496 . 1 1 2 LYS HG3 H 8.756 -0.354 -2.292 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19471_2md4 1 . 8 . 1497 . 1 1 2 LYS HZ1 H 10.084 -0.276 0.633 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 8 . 1498 . 1 1 2 LYS HZ2 H 8.563 0.094 1.275 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 8 . 1499 . 1 1 2 LYS HZ3 H 9.894 1.074 1.634 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 8 . 1500 . 1 1 2 LYS N N 4.319 -0.488 -1.761 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19471_2md4 1 . 8 . 1501 . 1 1 2 LYS NZ N 9.442 0.499 0.895 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19471_2md4 1 . 8 . 1502 . 1 1 2 LYS O O 6.476 -2.783 -0.155 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19471_2md4 1 . 8 . 1503 . 1 1 3 LEU C C 5.183 -1.965 2.618 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19471_2md4 1 . 8 . 1504 . 1 1 3 LEU CA C 6.151 -1.000 1.942 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19471_2md4 1 . 8 . 1505 . 1 1 3 LEU CB C 6.189 0.323 2.710 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19471_2md4 1 . 8 . 1506 . 1 1 3 LEU CD1 C 5.385 -0.119 5.042 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19471_2md4 1 . 8 . 1507 . 1 1 3 LEU CD2 C 7.699 -0.791 4.373 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19471_2md4 1 . 8 . 1508 . 1 1 3 LEU CG C 6.589 0.233 4.183 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19471_2md4 1 . 8 . 1509 . 1 1 3 LEU H H 5.361 0.088 0.308 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19471_2md4 1 . 8 . 1510 . 1 1 3 LEU HA H 7.139 -1.438 1.946 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19471_2md4 1 . 8 . 1511 . 1 1 3 LEU HB2 H 6.895 0.972 2.215 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1512 . 1 1 3 LEU HB3 H 5.203 0.762 2.659 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1513 . 1 1 3 LEU HD11 H 5.491 -1.125 5.417 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19471_2md4 1 . 8 . 1514 . 1 1 3 LEU HD12 H 4.486 -0.050 4.447 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19471_2md4 1 . 8 . 1515 . 1 1 3 LEU HD13 H 5.321 0.571 5.871 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19471_2md4 1 . 8 . 1516 . 1 1 3 LEU HD21 H 7.417 -1.719 3.898 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19471_2md4 1 . 8 . 1517 . 1 1 3 LEU HD22 H 7.856 -0.959 5.428 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19471_2md4 1 . 8 . 1518 . 1 1 3 LEU HD23 H 8.611 -0.420 3.927 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19471_2md4 1 . 8 . 1519 . 1 1 3 LEU HG H 6.961 1.194 4.508 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19471_2md4 1 . 8 . 1520 . 1 1 3 LEU N N 5.771 -0.767 0.553 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19471_2md4 1 . 8 . 1521 . 1 1 3 LEU O O 5.489 -2.538 3.665 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19471_2md4 1 . 8 . 1522 . 1 1 4 LEU C C 3.083 -4.416 1.894 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19471_2md4 1 . 8 . 1523 . 1 1 4 LEU CA C 3.001 -3.043 2.553 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19471_2md4 1 . 8 . 1524 . 1 1 4 LEU CB C 1.605 -2.450 2.351 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19471_2md4 1 . 8 . 1525 . 1 1 4 LEU CD1 C 1.168 -2.165 4.803 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19471_2md4 1 . 8 . 1526 . 1 1 4 LEU CD2 C 1.951 -0.219 3.440 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19471_2md4 1 . 8 . 1527 . 1 1 4 LEU CG C 1.119 -1.493 3.439 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19471_2md4 1 . 8 . 1528 . 1 1 4 LEU H H 3.828 -1.661 1.180 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19471_2md4 1 . 8 . 1529 . 1 1 4 LEU HA H 3.187 -3.153 3.611 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19471_2md4 1 . 8 . 1530 . 1 1 4 LEU HB2 H 1.607 -1.913 1.415 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1531 . 1 1 4 LEU HB3 H 0.904 -3.270 2.292 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1532 . 1 1 4 LEU HD11 H 1.542 -3.172 4.694 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19471_2md4 1 . 8 . 1533 . 1 1 4 LEU HD12 H 0.176 -2.193 5.227 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19471_2md4 1 . 8 . 1534 . 1 1 4 LEU HD13 H 1.823 -1.607 5.456 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19471_2md4 1 . 8 . 1535 . 1 1 4 LEU HD21 H 2.498 -0.147 4.368 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19471_2md4 1 . 8 . 1536 . 1 1 4 LEU HD22 H 1.299 0.636 3.340 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19471_2md4 1 . 8 . 1537 . 1 1 4 LEU HD23 H 2.645 -0.242 2.613 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19471_2md4 1 . 8 . 1538 . 1 1 4 LEU HG H 0.091 -1.222 3.239 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19471_2md4 1 . 8 . 1539 . 1 1 4 LEU N N 4.015 -2.144 2.011 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19471_2md4 1 . 8 . 1540 . 1 1 4 LEU O O 2.835 -5.438 2.533 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19471_2md4 1 . 8 . 1541 . 1 1 5 SER C C 4.889 -6.354 0.136 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19471_2md4 1 . 8 . 1542 . 1 1 5 SER CA C 3.548 -5.679 -0.134 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19471_2md4 1 . 8 . 1543 . 1 1 5 SER CB C 3.389 -5.418 -1.633 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19471_2md4 1 . 8 . 1544 . 1 1 5 SER H H 3.619 -3.583 0.157 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19471_2md4 1 . 8 . 1545 . 1 1 5 SER HA H 2.755 -6.335 0.194 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19471_2md4 1 . 8 . 1546 . 1 1 5 SER HB2 H 4.252 -4.880 -1.996 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1547 . 1 1 5 SER HB3 H 3.308 -6.361 -2.154 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1548 . 1 1 5 SER HG H 2.350 -4.152 -2.709 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19471_2md4 1 . 8 . 1549 . 1 1 5 SER N N 3.434 -4.432 0.612 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19471_2md4 1 . 8 . 1550 . 1 1 5 SER O O 4.976 -7.580 0.216 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19471_2md4 1 . 8 . 1551 . 1 1 5 SER OG O 2.228 -4.649 -1.897 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19471_2md4 1 . 8 . 1552 . 1 1 6 LYS C C 7.358 -6.659 1.942 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19471_2md4 1 . 8 . 1553 . 1 1 6 LYS CA C 7.271 -6.061 0.541 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19471_2md4 1 . 8 . 1554 . 1 1 6 LYS CB C 8.310 -4.948 0.385 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19471_2md4 1 . 8 . 1555 . 1 1 6 LYS CD C 9.238 -2.794 1.283 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19471_2md4 1 . 8 . 1556 . 1 1 6 LYS CE C 10.703 -3.162 1.102 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19471_2md4 1 . 8 . 1557 . 1 1 6 LYS CG C 8.389 -4.018 1.583 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19471_2md4 1 . 8 . 1558 . 1 1 6 LYS H H 5.801 -4.576 0.204 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19471_2md4 1 . 8 . 1559 . 1 1 6 LYS HA H 7.476 -6.837 -0.181 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19471_2md4 1 . 8 . 1560 . 1 1 6 LYS HB2 H 9.281 -5.396 0.238 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1561 . 1 1 6 LYS HB3 H 8.060 -4.359 -0.486 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1562 . 1 1 6 LYS HD2 H 8.881 -2.331 0.375 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19471_2md4 1 . 8 . 1563 . 1 1 6 LYS HD3 H 9.150 -2.095 2.103 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19471_2md4 1 . 8 . 1564 . 1 1 6 LYS HE2 H 10.814 -4.225 1.250 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19471_2md4 1 . 8 . 1565 . 1 1 6 LYS HE3 H 11.004 -2.905 0.097 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19471_2md4 1 . 8 . 1566 . 1 1 6 LYS HG2 H 7.392 -3.695 1.844 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19471_2md4 1 . 8 . 1567 . 1 1 6 LYS HG3 H 8.826 -4.553 2.414 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19471_2md4 1 . 8 . 1568 . 1 1 6 LYS HZ1 H 12.569 -2.485 1.753 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 8 . 1569 . 1 1 6 LYS HZ2 H 11.507 -2.882 3.009 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 8 . 1570 . 1 1 6 LYS HZ3 H 11.290 -1.448 2.141 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 8 . 1571 . 1 1 6 LYS N N 5.933 -5.545 0.278 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19471_2md4 1 . 8 . 1572 . 1 1 6 LYS NZ N 11.579 -2.444 2.069 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19471_2md4 1 . 8 . 1573 . 1 1 6 LYS O O 8.063 -7.643 2.164 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19471_2md4 1 . 8 . 1574 . 1 1 7 ALA C C 5.627 -7.668 4.445 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19471_2md4 1 . 8 . 1575 . 1 1 7 ALA CA C 6.629 -6.533 4.260 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19471_2md4 1 . 8 . 1576 . 1 1 7 ALA CB C 6.315 -5.389 5.212 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19471_2md4 1 . 8 . 1577 . 1 1 7 ALA H H 6.094 -5.278 2.643 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19471_2md4 1 . 8 . 1578 . 1 1 7 ALA HA H 7.619 -6.900 4.492 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19471_2md4 1 . 8 . 1579 . 1 1 7 ALA HB1 H 5.616 -5.728 5.963 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19471_2md4 1 . 8 . 1580 . 1 1 7 ALA HB2 H 7.225 -5.057 5.689 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1581 . 1 1 7 ALA HB3 H 5.880 -4.570 4.658 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1582 . 1 1 7 ALA N N 6.636 -6.058 2.882 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19471_2md4 1 . 8 . 1583 . 1 1 7 ALA O O 5.875 -8.610 5.197 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19471_2md4 1 . 8 . 1584 . 1 1 8 GLN C C 3.834 -9.825 3.037 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19471_2md4 1 . 8 . 1585 . 1 1 8 GLN CA C 3.456 -8.588 3.844 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19471_2md4 1 . 8 . 1586 . 1 1 8 GLN CB C 2.121 -8.029 3.348 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19471_2md4 1 . 8 . 1587 . 1 1 8 GLN CD C -0.334 -8.524 3.682 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19471_2md4 1 . 8 . 1588 . 1 1 8 GLN CG C 1.018 -9.071 3.267 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19471_2md4 1 . 8 . 1589 . 1 1 8 GLN H H 4.357 -6.795 3.171 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19471_2md4 1 . 8 . 1590 . 1 1 8 GLN HA H 3.355 -8.867 4.882 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19471_2md4 1 . 8 . 1591 . 1 1 8 GLN HB2 H 1.800 -7.247 4.019 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1592 . 1 1 8 GLN HB3 H 2.264 -7.610 2.362 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1593 . 1 1 8 GLN HE21 H -1.070 -8.903 1.874 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19471_2md4 1 . 8 . 1594 . 1 1 8 GLN HE22 H -2.172 -8.194 3.000 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19471_2md4 1 . 8 . 1595 . 1 1 8 GLN HG2 H 0.948 -9.425 2.249 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19471_2md4 1 . 8 . 1596 . 1 1 8 GLN HG3 H 1.271 -9.896 3.917 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19471_2md4 1 . 8 . 1597 . 1 1 8 GLN N N 4.496 -7.570 3.754 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19471_2md4 1 . 8 . 1598 . 1 1 8 GLN NE2 N -1.288 -8.541 2.759 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19471_2md4 1 . 8 . 1599 . 1 1 8 GLN O O 3.459 -10.944 3.386 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19471_2md4 1 . 8 . 1600 . 1 1 8 GLN OE1 O -0.518 -8.090 4.819 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19471_2md4 1 . 8 . 1601 . 1 1 9 GLU C C 5.686 -11.810 1.916 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19471_2md4 1 . 8 . 1602 . 1 1 9 GLU CA C 5.006 -10.715 1.098 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19471_2md4 1 . 8 . 1603 . 1 1 9 GLU CB C 5.960 -10.206 0.015 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19471_2md4 1 . 8 . 1604 . 1 1 9 GLU CD C 7.077 -10.902 -2.140 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19471_2md4 1 . 8 . 1605 . 1 1 9 GLU CG C 6.673 -11.315 -0.739 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19471_2md4 1 . 8 . 1606 . 1 1 9 GLU H H 4.847 -8.700 1.729 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19471_2md4 1 . 8 . 1607 . 1 1 9 GLU HA H 4.128 -11.128 0.626 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19471_2md4 1 . 8 . 1608 . 1 1 9 GLU HB2 H 5.397 -9.619 -0.696 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1609 . 1 1 9 GLU HB3 H 6.706 -9.576 0.477 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1610 . 1 1 9 GLU HG2 H 7.562 -11.592 -0.191 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19471_2md4 1 . 8 . 1611 . 1 1 9 GLU HG3 H 6.014 -12.168 -0.806 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19471_2md4 1 . 8 . 1612 . 1 1 9 GLU N N 4.579 -9.615 1.956 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19471_2md4 1 . 8 . 1613 . 1 1 9 GLU O O 5.469 -12.999 1.684 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19471_2md4 1 . 8 . 1614 . 1 1 9 GLU OE1 O 6.189 -10.830 -3.016 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19471_2md4 1 . 8 . 1615 . 1 1 9 GLU OE2 O 8.280 -10.650 -2.362 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19471_2md4 1 . 8 . 1616 . 1 1 10 LYS C C 6.437 -12.619 5.006 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19471_2md4 1 . 8 . 1617 . 1 1 10 LYS CA C 7.222 -12.343 3.728 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19471_2md4 1 . 8 . 1618 . 1 1 10 LYS CB C 8.610 -11.800 4.076 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19471_2md4 1 . 8 . 1619 . 1 1 10 LYS CD C 9.013 -10.482 6.176 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19471_2md4 1 . 8 . 1620 . 1 1 10 LYS CE C 10.465 -10.917 6.310 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19471_2md4 1 . 8 . 1621 . 1 1 10 LYS CG C 8.582 -10.425 4.720 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19471_2md4 1 . 8 . 1622 . 1 1 10 LYS H H 6.642 -10.437 3.011 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19471_2md4 1 . 8 . 1623 . 1 1 10 LYS HA H 7.333 -13.267 3.181 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19471_2md4 1 . 8 . 1624 . 1 1 10 LYS HB2 H 9.090 -12.485 4.759 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1625 . 1 1 10 LYS HB3 H 9.197 -11.738 3.170 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1626 . 1 1 10 LYS HD2 H 8.901 -9.502 6.614 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19471_2md4 1 . 8 . 1627 . 1 1 10 LYS HD3 H 8.385 -11.187 6.701 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19471_2md4 1 . 8 . 1628 . 1 1 10 LYS HE2 H 10.535 -11.967 6.072 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19471_2md4 1 . 8 . 1629 . 1 1 10 LYS HE3 H 11.063 -10.349 5.613 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19471_2md4 1 . 8 . 1630 . 1 1 10 LYS HG2 H 9.253 -9.771 4.182 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19471_2md4 1 . 8 . 1631 . 1 1 10 LYS HG3 H 7.576 -10.033 4.667 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19471_2md4 1 . 8 . 1632 . 1 1 10 LYS HZ1 H 10.724 -9.745 8.020 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 8 . 1633 . 1 1 10 LYS HZ2 H 12.021 -10.783 7.696 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 8 . 1634 . 1 1 10 LYS HZ3 H 10.584 -11.401 8.338 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 8 . 1635 . 1 1 10 LYS N N 6.510 -11.399 2.874 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19471_2md4 1 . 8 . 1636 . 1 1 10 LYS NZ N 10.985 -10.696 7.688 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19471_2md4 1 . 8 . 1637 . 1 1 10 LYS O O 6.980 -13.146 5.977 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19471_2md4 1 . 8 . 1638 . 1 1 11 PHE C C 3.282 -13.575 5.888 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19471_2md4 1 . 8 . 1639 . 1 1 11 PHE CA C 4.299 -12.470 6.158 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19471_2md4 1 . 8 . 1640 . 1 1 11 PHE CB C 3.574 -11.172 6.524 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19471_2md4 1 . 8 . 1641 . 1 1 11 PHE CD1 C 5.790 -10.436 7.444 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19471_2md4 1 . 8 . 1642 . 1 1 11 PHE CD2 C 4.003 -8.858 7.393 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19471_2md4 1 . 8 . 1643 . 1 1 11 PHE CE1 C 6.619 -9.483 8.005 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19471_2md4 1 . 8 . 1644 . 1 1 11 PHE CE2 C 4.827 -7.901 7.954 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19471_2md4 1 . 8 . 1645 . 1 1 11 PHE CG C 4.473 -10.135 7.133 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19471_2md4 1 . 8 . 1646 . 1 1 11 PHE CZ C 6.138 -8.214 8.259 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19471_2md4 1 . 8 . 1647 . 1 1 11 PHE H H 4.783 -11.843 4.195 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19471_2md4 1 . 8 . 1648 . 1 1 11 PHE HA H 4.925 -12.767 6.985 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19471_2md4 1 . 8 . 1649 . 1 1 11 PHE HB2 H 3.136 -10.749 5.633 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19471_2md4 1 . 8 . 1650 . 1 1 11 PHE HB3 H 2.792 -11.394 7.234 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19471_2md4 1 . 8 . 1651 . 1 1 11 PHE HD1 H 6.168 -11.428 7.244 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19471_2md4 1 . 8 . 1652 . 1 1 11 PHE HD2 H 2.977 -8.612 7.155 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19471_2md4 1 . 8 . 1653 . 1 1 11 PHE HE1 H 7.643 -9.730 8.242 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19471_2md4 1 . 8 . 1654 . 1 1 11 PHE HE2 H 4.448 -6.909 8.151 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19471_2md4 1 . 8 . 1655 . 1 1 11 PHE HZ H 6.783 -7.468 8.697 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19471_2md4 1 . 8 . 1656 . 1 1 11 PHE N N 5.158 -12.260 4.999 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19471_2md4 1 . 8 . 1657 . 1 1 11 PHE O O 2.884 -14.302 6.797 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19471_2md4 1 . 8 . 1658 . 1 1 12 GLY C C 2.476 -16.110 4.325 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19471_2md4 1 . 8 . 1659 . 1 1 12 GLY CA C 1.897 -14.711 4.264 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19471_2md4 1 . 8 . 1660 . 1 1 12 GLY H H 3.216 -13.085 3.948 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19471_2md4 1 . 8 . 1661 . 1 1 12 GLY HA2 H 1.055 -14.651 4.936 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19471_2md4 1 . 8 . 1662 . 1 1 12 GLY HA3 H 1.555 -14.519 3.257 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19471_2md4 1 . 8 . 1663 . 1 1 12 GLY N N 2.864 -13.693 4.631 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19471_2md4 1 . 8 . 1664 . 1 1 12 GLY O O 2.269 -16.915 3.417 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19471_2md4 1 . 9 . 1665 . 1 1 1 TRP C C 3.043 -0.782 -1.108 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19471_2md4 1 . 9 . 1666 . 1 1 1 TRP CA C 1.839 0.153 -1.124 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19471_2md4 1 . 9 . 1667 . 1 1 1 TRP CB C 2.285 1.575 -1.466 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19471_2md4 1 . 9 . 1668 . 1 1 1 TRP CD1 C 4.637 2.328 -0.780 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19471_2md4 1 . 9 . 1669 . 1 1 1 TRP CD2 C 3.099 2.521 0.837 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19471_2md4 1 . 9 . 1670 . 1 1 1 TRP CE2 C 4.338 2.964 1.340 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19471_2md4 1 . 9 . 1671 . 1 1 1 TRP CE3 C 1.982 2.552 1.676 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19471_2md4 1 . 9 . 1672 . 1 1 1 TRP CG C 3.312 2.119 -0.520 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19471_2md4 1 . 9 . 1673 . 1 1 1 TRP CH2 C 3.378 3.450 3.443 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19471_2md4 1 . 9 . 1674 . 1 1 1 TRP CZ2 C 4.489 3.431 2.643 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19471_2md4 1 . 9 . 1675 . 1 1 1 TRP CZ3 C 2.133 3.015 2.970 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19471_2md4 1 . 9 . 1676 . 1 1 1 TRP H1 H 1.676 0.127 0.987 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19471_2md4 1 . 9 . 1677 . 1 1 1 TRP HA H 1.143 -0.188 -1.877 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19471_2md4 1 . 9 . 1678 . 1 1 1 TRP HB2 H 2.709 1.583 -2.459 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1679 . 1 1 1 TRP HB3 H 1.427 2.230 -1.440 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1680 . 1 1 1 TRP HD1 H 5.111 2.118 -1.726 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19471_2md4 1 . 9 . 1681 . 1 1 1 TRP HE1 H 6.210 3.069 0.398 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19471_2md4 1 . 9 . 1682 . 1 1 1 TRP HE3 H 1.014 2.221 1.330 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19471_2md4 1 . 9 . 1683 . 1 1 1 TRP HH2 H 3.450 3.803 4.460 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19471_2md4 1 . 9 . 1684 . 1 1 1 TRP HZ2 H 5.442 3.770 3.022 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19471_2md4 1 . 9 . 1685 . 1 1 1 TRP HZ3 H 1.281 3.046 3.633 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19471_2md4 1 . 9 . 1686 . 1 1 1 TRP N N 1.149 0.135 0.161 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19471_2md4 1 . 9 . 1687 . 1 1 1 TRP NE1 N 5.260 2.836 0.335 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19471_2md4 1 . 9 . 1688 . 1 1 1 TRP O O 3.009 -1.845 -0.487 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19471_2md4 1 . 9 . 1689 . 1 1 2 LYS C C 5.824 -1.523 -0.458 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19471_2md4 1 . 9 . 1690 . 1 1 2 LYS CA C 5.325 -1.181 -1.857 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19471_2md4 1 . 9 . 1691 . 1 1 2 LYS CB C 6.413 -0.432 -2.630 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19471_2md4 1 . 9 . 1692 . 1 1 2 LYS CD C 7.847 0.781 -0.962 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19471_2md4 1 . 9 . 1693 . 1 1 2 LYS CE C 8.542 1.968 -1.611 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19471_2md4 1 . 9 . 1694 . 1 1 2 LYS CG C 7.753 -0.398 -1.915 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19471_2md4 1 . 9 . 1695 . 1 1 2 LYS H H 4.074 0.477 -2.269 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19471_2md4 1 . 9 . 1696 . 1 1 2 LYS HA H 5.092 -2.097 -2.378 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19471_2md4 1 . 9 . 1697 . 1 1 2 LYS HB2 H 6.551 -0.910 -3.588 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1698 . 1 1 2 LYS HB3 H 6.088 0.587 -2.789 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1699 . 1 1 2 LYS HD2 H 6.851 1.078 -0.670 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19471_2md4 1 . 9 . 1700 . 1 1 2 LYS HD3 H 8.407 0.482 -0.087 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19471_2md4 1 . 9 . 1701 . 1 1 2 LYS HE2 H 8.093 2.148 -2.576 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19471_2md4 1 . 9 . 1702 . 1 1 2 LYS HE3 H 8.406 2.836 -0.983 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19471_2md4 1 . 9 . 1703 . 1 1 2 LYS HG2 H 7.873 -1.312 -1.353 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19471_2md4 1 . 9 . 1704 . 1 1 2 LYS HG3 H 8.541 -0.320 -2.651 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19471_2md4 1 . 9 . 1705 . 1 1 2 LYS HZ1 H 10.374 1.177 -0.992 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 9 . 1706 . 1 1 2 LYS HZ2 H 10.509 2.631 -1.846 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 9 . 1707 . 1 1 2 LYS HZ3 H 10.168 1.195 -2.671 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 9 . 1708 . 1 1 2 LYS N N 4.108 -0.380 -1.794 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19471_2md4 1 . 9 . 1709 . 1 1 2 LYS NZ N 10.000 1.725 -1.793 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19471_2md4 1 . 9 . 1710 . 1 1 2 LYS O O 6.362 -2.607 -0.227 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19471_2md4 1 . 9 . 1711 . 1 1 3 LEU C C 5.139 -1.762 2.578 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19471_2md4 1 . 9 . 1712 . 1 1 3 LEU CA C 6.073 -0.799 1.853 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19471_2md4 1 . 9 . 1713 . 1 1 3 LEU CB C 6.123 0.537 2.596 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19471_2md4 1 . 9 . 1714 . 1 1 3 LEU CD1 C 5.431 0.145 4.973 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19471_2md4 1 . 9 . 1715 . 1 1 3 LEU CD2 C 7.712 -0.538 4.209 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19471_2md4 1 . 9 . 1716 . 1 1 3 LEU CG C 6.592 0.480 4.050 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19471_2md4 1 . 9 . 1717 . 1 1 3 LEU H H 5.208 0.249 0.231 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19471_2md4 1 . 9 . 1718 . 1 1 3 LEU HA H 7.065 -1.226 1.830 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19471_2md4 1 . 9 . 1719 . 1 1 3 LEU HB2 H 6.793 1.190 2.058 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1720 . 1 1 3 LEU HB3 H 5.128 0.958 2.585 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1721 . 1 1 3 LEU HD11 H 5.573 -0.841 5.388 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19471_2md4 1 . 9 . 1722 . 1 1 3 LEU HD12 H 4.508 0.170 4.413 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19471_2md4 1 . 9 . 1723 . 1 1 3 LEU HD13 H 5.386 0.870 5.773 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19471_2md4 1 . 9 . 1724 . 1 1 3 LEU HD21 H 7.407 -1.479 3.777 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19471_2md4 1 . 9 . 1725 . 1 1 3 LEU HD22 H 7.927 -0.676 5.259 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19471_2md4 1 . 9 . 1726 . 1 1 3 LEU HD23 H 8.598 -0.180 3.705 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19471_2md4 1 . 9 . 1727 . 1 1 3 LEU HG H 6.977 1.449 4.336 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19471_2md4 1 . 9 . 1728 . 1 1 3 LEU N N 5.642 -0.594 0.474 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19471_2md4 1 . 9 . 1729 . 1 1 3 LEU O O 5.465 -2.269 3.653 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19471_2md4 1 . 9 . 1730 . 1 1 4 LEU C C 3.078 -4.300 1.929 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19471_2md4 1 . 9 . 1731 . 1 1 4 LEU CA C 2.998 -2.919 2.571 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19471_2md4 1 . 9 . 1732 . 1 1 4 LEU CB C 1.587 -2.350 2.409 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19471_2md4 1 . 9 . 1733 . 1 1 4 LEU CD1 C 1.212 -2.062 4.871 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19471_2md4 1 . 9 . 1734 . 1 1 4 LEU CD2 C 1.936 -0.111 3.483 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19471_2md4 1 . 9 . 1735 . 1 1 4 LEU CG C 1.119 -1.395 3.508 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19471_2md4 1 . 9 . 1736 . 1 1 4 LEU H H 3.776 -1.581 1.128 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19471_2md4 1 . 9 . 1737 . 1 1 4 LEU HA H 3.221 -3.012 3.624 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19471_2md4 1 . 9 . 1738 . 1 1 4 LEU HB2 H 1.552 -1.817 1.471 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1739 . 1 1 4 LEU HB3 H 0.898 -3.181 2.376 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1740 . 1 1 4 LEU HD11 H 1.616 -3.057 4.758 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19471_2md4 1 . 9 . 1741 . 1 1 4 LEU HD12 H 0.228 -2.121 5.311 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19471_2md4 1 . 9 . 1742 . 1 1 4 LEU HD13 H 1.859 -1.481 5.512 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19471_2md4 1 . 9 . 1743 . 1 1 4 LEU HD21 H 2.528 -0.044 4.383 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19471_2md4 1 . 9 . 1744 . 1 1 4 LEU HD22 H 1.270 0.738 3.425 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19471_2md4 1 . 9 . 1745 . 1 1 4 LEU HD23 H 2.588 -0.117 2.621 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19471_2md4 1 . 9 . 1746 . 1 1 4 LEU HG H 0.083 -1.136 3.334 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19471_2md4 1 . 9 . 1747 . 1 1 4 LEU N N 3.979 -2.014 1.983 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19471_2md4 1 . 9 . 1748 . 1 1 4 LEU O O 2.879 -5.317 2.593 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19471_2md4 1 . 9 . 1749 . 1 1 5 SER C C 4.840 -6.232 0.123 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19471_2md4 1 . 9 . 1750 . 1 1 5 SER CA C 3.477 -5.585 -0.100 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19471_2md4 1 . 9 . 1751 . 1 1 5 SER CB C 3.250 -5.348 -1.595 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19471_2md4 1 . 9 . 1752 . 1 1 5 SER H H 3.519 -3.484 0.158 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19471_2md4 1 . 9 . 1753 . 1 1 5 SER HA H 2.711 -6.250 0.270 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19471_2md4 1 . 9 . 1754 . 1 1 5 SER HB2 H 4.077 -4.782 -1.996 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1755 . 1 1 5 SER HB3 H 3.186 -6.300 -2.101 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1756 . 1 1 5 SER HG H 1.394 -5.213 -2.205 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19471_2md4 1 . 9 . 1757 . 1 1 5 SER N N 3.372 -4.328 0.633 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19471_2md4 1 . 9 . 1758 . 1 1 5 SER O O 4.960 -7.456 0.164 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19471_2md4 1 . 9 . 1759 . 1 1 5 SER OG O 2.051 -4.628 -1.821 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19471_2md4 1 . 9 . 1760 . 1 1 6 LYS C C 7.347 -6.549 1.857 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19471_2md4 1 . 9 . 1761 . 1 1 6 LYS CA C 7.222 -5.888 0.488 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19471_2md4 1 . 9 . 1762 . 1 1 6 LYS CB C 8.225 -4.738 0.372 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19471_2md4 1 . 9 . 1763 . 1 1 6 LYS CD C 9.771 -4.294 2.302 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19471_2md4 1 . 9 . 1764 . 1 1 6 LYS CE C 10.391 -5.184 3.368 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19471_2md4 1 . 9 . 1765 . 1 1 6 LYS CG C 9.576 -5.044 0.995 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19471_2md4 1 . 9 . 1766 . 1 1 6 LYS H H 5.707 -4.433 0.225 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19471_2md4 1 . 9 . 1767 . 1 1 6 LYS HA H 7.439 -6.621 -0.274 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19471_2md4 1 . 9 . 1768 . 1 1 6 LYS HB2 H 8.377 -4.512 -0.673 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1769 . 1 1 6 LYS HB3 H 7.815 -3.867 0.864 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1770 . 1 1 6 LYS HD2 H 10.423 -3.451 2.129 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19471_2md4 1 . 9 . 1771 . 1 1 6 LYS HD3 H 8.810 -3.943 2.652 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19471_2md4 1 . 9 . 1772 . 1 1 6 LYS HE2 H 9.631 -5.439 4.091 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19471_2md4 1 . 9 . 1773 . 1 1 6 LYS HE3 H 10.757 -6.085 2.898 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19471_2md4 1 . 9 . 1774 . 1 1 6 LYS HG2 H 9.642 -6.105 1.188 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19471_2md4 1 . 9 . 1775 . 1 1 6 LYS HG3 H 10.355 -4.753 0.304 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19471_2md4 1 . 9 . 1776 . 1 1 6 LYS HZ1 H 11.200 -4.137 4.984 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 9 . 1777 . 1 1 6 LYS HZ2 H 11.876 -3.721 3.490 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 9 . 1778 . 1 1 6 LYS HZ3 H 12.294 -5.183 4.229 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 9 . 1779 . 1 1 6 LYS N N 5.866 -5.400 0.267 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19471_2md4 1 . 9 . 1780 . 1 1 6 LYS NZ N 11.519 -4.509 4.067 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19471_2md4 1 . 9 . 1781 . 1 1 6 LYS O O 7.989 -7.589 1.998 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19471_2md4 1 . 9 . 1782 . 1 1 7 ALA C C 5.762 -7.605 4.392 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19471_2md4 1 . 9 . 1783 . 1 1 7 ALA CA C 6.766 -6.471 4.218 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19471_2md4 1 . 9 . 1784 . 1 1 7 ALA CB C 6.495 -5.365 5.227 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19471_2md4 1 . 9 . 1785 . 1 1 7 ALA H H 6.231 -5.113 2.686 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19471_2md4 1 . 9 . 1786 . 1 1 7 ALA HA H 7.760 -6.853 4.399 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19471_2md4 1 . 9 . 1787 . 1 1 7 ALA HB1 H 6.481 -5.782 6.223 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19471_2md4 1 . 9 . 1788 . 1 1 7 ALA HB2 H 7.272 -4.618 5.160 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1789 . 1 1 7 ALA HB3 H 5.539 -4.910 5.014 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1790 . 1 1 7 ALA N N 6.727 -5.939 2.862 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19471_2md4 1 . 9 . 1791 . 1 1 7 ALA O O 6.023 -8.573 5.107 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19471_2md4 1 . 9 . 1792 . 1 1 8 GLN C C 3.939 -9.724 2.994 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19471_2md4 1 . 9 . 1793 . 1 1 8 GLN CA C 3.570 -8.495 3.819 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19471_2md4 1 . 9 . 1794 . 1 1 8 GLN CB C 2.235 -7.925 3.337 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19471_2md4 1 . 9 . 1795 . 1 1 8 GLN CD C -0.220 -8.407 3.685 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19471_2md4 1 . 9 . 1796 . 1 1 8 GLN CG C 1.125 -8.960 3.258 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19471_2md4 1 . 9 . 1797 . 1 1 8 GLN H H 4.465 -6.685 3.181 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19471_2md4 1 . 9 . 1798 . 1 1 8 GLN HA H 3.474 -8.786 4.853 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19471_2md4 1 . 9 . 1799 . 1 1 8 GLN HB2 H 1.924 -7.145 4.016 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1800 . 1 1 8 GLN HB3 H 2.372 -7.501 2.353 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1801 . 1 1 8 GLN HE21 H -0.822 -8.339 1.792 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19471_2md4 1 . 9 . 1802 . 1 1 8 GLN HE22 H -1.969 -7.798 2.964 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19471_2md4 1 . 9 . 1803 . 1 1 8 GLN HG2 H 1.046 -9.308 2.238 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19471_2md4 1 . 9 . 1804 . 1 1 8 GLN HG3 H 1.378 -9.790 3.901 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19471_2md4 1 . 9 . 1805 . 1 1 8 GLN N N 4.614 -7.479 3.735 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19471_2md4 1 . 9 . 1806 . 1 1 8 GLN NE2 N -1.092 -8.155 2.716 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19471_2md4 1 . 9 . 1807 . 1 1 8 GLN O O 3.565 -10.845 3.335 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19471_2md4 1 . 9 . 1808 . 1 1 8 GLN OE1 O -0.473 -8.209 4.874 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19471_2md4 1 . 9 . 1809 . 1 1 9 GLU C C 5.831 -11.671 1.826 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19471_2md4 1 . 9 . 1810 . 1 1 9 GLU CA C 5.093 -10.594 1.036 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19471_2md4 1 . 9 . 1811 . 1 1 9 GLU CB C 5.988 -10.065 -0.086 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19471_2md4 1 . 9 . 1812 . 1 1 9 GLU CD C 7.428 -10.623 -2.085 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19471_2md4 1 . 9 . 1813 . 1 1 9 GLU CG C 6.683 -11.160 -0.878 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19471_2md4 1 . 9 . 1814 . 1 1 9 GLU H H 4.942 -8.587 1.690 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19471_2md4 1 . 9 . 1815 . 1 1 9 GLU HA H 4.206 -11.029 0.601 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19471_2md4 1 . 9 . 1816 . 1 1 9 GLU HB2 H 5.386 -9.482 -0.767 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1817 . 1 1 9 GLU HB3 H 6.745 -9.427 0.346 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1818 . 1 1 9 GLU HG2 H 7.388 -11.661 -0.233 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19471_2md4 1 . 9 . 1819 . 1 1 9 GLU HG3 H 5.940 -11.867 -1.217 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19471_2md4 1 . 9 . 1820 . 1 1 9 GLU N N 4.675 -9.504 1.909 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19471_2md4 1 . 9 . 1821 . 1 1 9 GLU O O 5.717 -12.861 1.533 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19471_2md4 1 . 9 . 1822 . 1 1 9 GLU OE1 O 7.315 -9.410 -2.360 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19471_2md4 1 . 9 . 1823 . 1 1 9 GLU OE2 O 8.124 -11.415 -2.754 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19471_2md4 1 . 9 . 1824 . 1 1 10 LYS C C 6.528 -12.605 4.876 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19471_2md4 1 . 9 . 1825 . 1 1 10 LYS CA C 7.347 -12.169 3.665 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19471_2md4 1 . 9 . 1826 . 1 1 10 LYS CB C 8.653 -11.519 4.127 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19471_2md4 1 . 9 . 1827 . 1 1 10 LYS CD C 8.919 -11.115 6.591 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19471_2md4 1 . 9 . 1828 . 1 1 10 LYS CE C 9.494 -10.045 7.507 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19471_2md4 1 . 9 . 1829 . 1 1 10 LYS CG C 8.471 -10.529 5.263 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19471_2md4 1 . 9 . 1830 . 1 1 10 LYS H H 6.640 -10.282 3.016 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19471_2md4 1 . 9 . 1831 . 1 1 10 LYS HA H 7.578 -13.040 3.070 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19471_2md4 1 . 9 . 1832 . 1 1 10 LYS HB2 H 9.329 -12.294 4.457 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1833 . 1 1 10 LYS HB3 H 9.097 -10.998 3.290 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1834 . 1 1 10 LYS HD2 H 8.071 -11.572 7.079 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19471_2md4 1 . 9 . 1835 . 1 1 10 LYS HD3 H 9.677 -11.864 6.407 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19471_2md4 1 . 9 . 1836 . 1 1 10 LYS HE2 H 8.831 -9.194 7.505 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19471_2md4 1 . 9 . 1837 . 1 1 10 LYS HE3 H 9.563 -10.446 8.508 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19471_2md4 1 . 9 . 1838 . 1 1 10 LYS HG2 H 9.056 -9.645 5.056 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19471_2md4 1 . 9 . 1839 . 1 1 10 LYS HG3 H 7.426 -10.262 5.332 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19471_2md4 1 . 9 . 1840 . 1 1 10 LYS HZ1 H 11.572 -10.250 7.445 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 9 . 1841 . 1 1 10 LYS HZ2 H 11.040 -8.644 7.410 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 9 . 1842 . 1 1 10 LYS HZ3 H 10.904 -9.611 6.029 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 9 . 1843 . 1 1 10 LYS N N 6.589 -11.244 2.831 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19471_2md4 1 . 9 . 1844 . 1 1 10 LYS NZ N 10.848 -9.607 7.067 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19471_2md4 1 . 9 . 1845 . 1 1 10 LYS O O 7.060 -13.191 5.819 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19471_2md4 1 . 9 . 1846 . 1 1 11 PHE C C 3.280 -13.676 5.469 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19471_2md4 1 . 9 . 1847 . 1 1 11 PHE CA C 4.339 -12.681 5.937 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19471_2md4 1 . 9 . 1848 . 1 1 11 PHE CB C 3.664 -11.432 6.508 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19471_2md4 1 . 9 . 1849 . 1 1 11 PHE CD1 C 5.674 -11.087 7.969 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19471_2md4 1 . 9 . 1850 . 1 1 11 PHE CD2 C 4.399 -9.177 7.327 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19471_2md4 1 . 9 . 1851 . 1 1 11 PHE CE1 C 6.534 -10.276 8.685 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19471_2md4 1 . 9 . 1852 . 1 1 11 PHE CE2 C 5.256 -8.361 8.041 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19471_2md4 1 . 9 . 1853 . 1 1 11 PHE CG C 4.597 -10.548 7.284 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19471_2md4 1 . 9 . 1854 . 1 1 11 PHE CZ C 6.326 -8.911 8.719 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19471_2md4 1 . 9 . 1855 . 1 1 11 PHE H H 4.865 -11.849 4.062 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19471_2md4 1 . 9 . 1856 . 1 1 11 PHE HA H 4.934 -13.143 6.709 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19471_2md4 1 . 9 . 1857 . 1 1 11 PHE HB2 H 3.254 -10.850 5.697 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19471_2md4 1 . 9 . 1858 . 1 1 11 PHE HB3 H 2.865 -11.734 7.169 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19471_2md4 1 . 9 . 1859 . 1 1 11 PHE HD1 H 5.839 -12.154 7.942 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19471_2md4 1 . 9 . 1860 . 1 1 11 PHE HD2 H 3.562 -8.746 6.796 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19471_2md4 1 . 9 . 1861 . 1 1 11 PHE HE1 H 7.370 -10.708 9.214 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19471_2md4 1 . 9 . 1862 . 1 1 11 PHE HE2 H 5.090 -7.294 8.066 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19471_2md4 1 . 9 . 1863 . 1 1 11 PHE HZ H 6.996 -8.275 9.278 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19471_2md4 1 . 9 . 1864 . 1 1 11 PHE N N 5.231 -12.318 4.842 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19471_2md4 1 . 9 . 1865 . 1 1 11 PHE O O 2.826 -14.522 6.237 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19471_2md4 1 . 9 . 1866 . 1 1 12 GLY C C 2.473 -15.796 3.235 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19471_2md4 1 . 9 . 1867 . 1 1 12 GLY CA C 1.891 -14.461 3.652 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19471_2md4 1 . 9 . 1868 . 1 1 12 GLY H H 3.290 -12.872 3.635 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19471_2md4 1 . 9 . 1869 . 1 1 12 GLY HA2 H 1.127 -14.629 4.397 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19471_2md4 1 . 9 . 1870 . 1 1 12 GLY HA3 H 1.441 -13.992 2.789 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19471_2md4 1 . 9 . 1871 . 1 1 12 GLY N N 2.893 -13.566 4.202 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19471_2md4 1 . 9 . 1872 . 1 1 12 GLY O O 2.991 -15.936 2.127 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19471_2md4 1 . 10 . 1873 . 1 1 1 TRP C C 3.155 -0.909 -1.137 . . . 1.0 . . . . . . . . . . . . A . 1 TRP C . . . . . . . . . c19471_2md4 1 . 10 . 1874 . 1 1 1 TRP CA C 1.947 0.019 -1.206 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CA . . . . . . . . . c19471_2md4 1 . 10 . 1875 . 1 1 1 TRP CB C 2.398 1.439 -1.551 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CB . . . . . . . . . c19471_2md4 1 . 10 . 1876 . 1 1 1 TRP CD1 C 4.723 2.207 -0.795 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD1 . . . . . . . . . c19471_2md4 1 . 10 . 1877 . 1 1 1 TRP CD2 C 3.130 2.422 0.765 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CD2 . . . . . . . . . c19471_2md4 1 . 10 . 1878 . 1 1 1 TRP CE2 C 4.350 2.875 1.303 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE2 . . . . . . . . . c19471_2md4 1 . 10 . 1879 . 1 1 1 TRP CE3 C 1.985 2.463 1.564 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CE3 . . . . . . . . . c19471_2md4 1 . 10 . 1880 . 1 1 1 TRP CG C 3.391 1.999 -0.578 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CG . . . . . . . . . c19471_2md4 1 . 10 . 1881 . 1 1 1 TRP CH2 C 3.317 3.390 3.364 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CH2 . . . . . . . . . c19471_2md4 1 . 10 . 1882 . 1 1 1 TRP CZ2 C 4.455 3.361 2.604 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ2 . . . . . . . . . c19471_2md4 1 . 10 . 1883 . 1 1 1 TRP CZ3 C 2.090 2.945 2.855 . . . 1.0 . . . . . . . . . . . . A . 1 TRP CZ3 . . . . . . . . . c19471_2md4 1 . 10 . 1884 . 1 1 1 TRP H1 H 1.712 0.029 0.898 . . . 1.0 . . . . . . . . . . . . A . 1 TRP H1 . . . . . . . . . c19471_2md4 1 . 10 . 1885 . 1 1 1 TRP HA H 1.280 -0.335 -1.979 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HA . . . . . . . . . c19471_2md4 1 . 10 . 1886 . 1 1 1 TRP HB2 H 2.854 1.438 -2.529 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB2 . . . . . . . . . c19471_2md4 1 . 10 . 1887 . 1 1 1 TRP HB3 H 1.535 2.090 -1.560 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HB3 . . . . . . . . . c19471_2md4 1 . 10 . 1888 . 1 1 1 TRP HD1 H 5.230 1.984 -1.721 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HD1 . . . . . . . . . c19471_2md4 1 . 10 . 1889 . 1 1 1 TRP HE1 H 6.253 2.970 0.426 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE1 . . . . . . . . . c19471_2md4 1 . 10 . 1890 . 1 1 1 TRP HE3 H 1.030 2.125 1.190 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HE3 . . . . . . . . . c19471_2md4 1 . 10 . 1891 . 1 1 1 TRP HH2 H 3.353 3.759 4.378 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HH2 . . . . . . . . . c19471_2md4 1 . 10 . 1892 . 1 1 1 TRP HZ2 H 5.393 3.708 3.011 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ2 . . . . . . . . . c19471_2md4 1 . 10 . 1893 . 1 1 1 TRP HZ3 H 1.215 2.984 3.488 . . . 1.0 . . . . . . . . . . . . A . 1 TRP HZ3 . . . . . . . . . c19471_2md4 1 . 10 . 1894 . 1 1 1 TRP N N 1.213 0.013 0.054 . . . 1.0 . . . . . . . . . . . . A . 1 TRP N . . . . . . . . . c19471_2md4 1 . 10 . 1895 . 1 1 1 TRP NE1 N 5.306 2.733 0.333 . . . 1.0 . . . . . . . . . . . . A . 1 TRP NE1 . . . . . . . . . c19471_2md4 1 . 10 . 1896 . 1 1 1 TRP O O 3.107 -1.961 -0.500 . . . 1.0 . . . . . . . . . . . . A . 1 TRP O . . . . . . . . . c19471_2md4 1 . 10 . 1897 . 1 1 2 LYS C C 5.914 -1.630 -0.389 . . . 1.0 . . . . . . . . . . . . A . 2 LYS C . . . . . . . . . c19471_2md4 1 . 10 . 1898 . 1 1 2 LYS CA C 5.461 -1.307 -1.809 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CA . . . . . . . . . c19471_2md4 1 . 10 . 1899 . 1 1 2 LYS CB C 6.571 -0.561 -2.552 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CB . . . . . . . . . c19471_2md4 1 . 10 . 1900 . 1 1 2 LYS CD C 7.690 1.069 -1.003 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CD . . . . . . . . . c19471_2md4 1 . 10 . 1901 . 1 1 2 LYS CE C 9.019 1.485 -0.392 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CE . . . . . . . . . c19471_2md4 1 . 10 . 1902 . 1 1 2 LYS CG C 7.793 -0.279 -1.696 . . . 1.0 . . . . . . . . . . . . A . 2 LYS CG . . . . . . . . . c19471_2md4 1 . 10 . 1903 . 1 1 2 LYS H H 4.215 0.337 -2.286 . . . 1.0 . . . . . . . . . . . . A . 2 LYS H . . . . . . . . . c19471_2md4 1 . 10 . 1904 . 1 1 2 LYS HA H 5.250 -2.231 -2.326 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HA . . . . . . . . . c19471_2md4 1 . 10 . 1905 . 1 1 2 LYS HB2 H 6.880 -1.154 -3.401 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB2 . . . . . . . . . c19471_2md4 1 . 10 . 1906 . 1 1 2 LYS HB3 H 6.180 0.382 -2.906 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HB3 . . . . . . . . . c19471_2md4 1 . 10 . 1907 . 1 1 2 LYS HD2 H 7.390 1.814 -1.726 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD2 . . . . . . . . . c19471_2md4 1 . 10 . 1908 . 1 1 2 LYS HD3 H 6.947 1.005 -0.220 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HD3 . . . . . . . . . c19471_2md4 1 . 10 . 1909 . 1 1 2 LYS HE2 H 8.832 2.216 0.380 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE2 . . . . . . . . . c19471_2md4 1 . 10 . 1910 . 1 1 2 LYS HE3 H 9.489 0.615 0.042 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HE3 . . . . . . . . . c19471_2md4 1 . 10 . 1911 . 1 1 2 LYS HG2 H 7.883 -1.051 -0.946 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG2 . . . . . . . . . c19471_2md4 1 . 10 . 1912 . 1 1 2 LYS HG3 H 8.672 -0.283 -2.326 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HG3 . . . . . . . . . c19471_2md4 1 . 10 . 1913 . 1 1 2 LYS HZ1 H 10.909 2.090 -1.044 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 10 . 1914 . 1 1 2 LYS HZ2 H 9.644 3.050 -1.626 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 10 . 1915 . 1 1 2 LYS HZ3 H 9.910 1.514 -2.281 . . . 1.0 . . . . . . . . . . . . A . 2 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 10 . 1916 . 1 1 2 LYS N N 4.238 -0.512 -1.796 . . . 1.0 . . . . . . . . . . . . A . 2 LYS N . . . . . . . . . c19471_2md4 1 . 10 . 1917 . 1 1 2 LYS NZ N 9.935 2.076 -1.407 . . . 1.0 . . . . . . . . . . . . A . 2 LYS NZ . . . . . . . . . c19471_2md4 1 . 10 . 1918 . 1 1 2 LYS O O 6.444 -2.711 -0.126 . . . 1.0 . . . . . . . . . . . . A . 2 LYS O . . . . . . . . . c19471_2md4 1 . 10 . 1919 . 1 1 3 LEU C C 5.142 -1.847 2.620 . . . 1.0 . . . . . . . . . . . . A . 3 LEU C . . . . . . . . . c19471_2md4 1 . 10 . 1920 . 1 1 3 LEU CA C 6.086 -0.874 1.919 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CA . . . . . . . . . c19471_2md4 1 . 10 . 1921 . 1 1 3 LEU CB C 6.088 0.469 2.651 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CB . . . . . . . . . c19471_2md4 1 . 10 . 1922 . 1 1 3 LEU CD1 C 5.293 0.064 4.993 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD1 . . . . . . . . . c19471_2md4 1 . 10 . 1923 . 1 1 3 LEU CD2 C 7.627 -0.556 4.343 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CD2 . . . . . . . . . c19471_2md4 1 . 10 . 1924 . 1 1 3 LEU CG C 6.488 0.429 4.126 . . . 1.0 . . . . . . . . . . . . A . 3 LEU CG . . . . . . . . . c19471_2md4 1 . 10 . 1925 . 1 1 3 LEU H H 5.274 0.151 0.255 . . . 1.0 . . . . . . . . . . . . A . 3 LEU H . . . . . . . . . c19471_2md4 1 . 10 . 1926 . 1 1 3 LEU HA H 7.084 -1.285 1.935 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HA . . . . . . . . . c19471_2md4 1 . 10 . 1927 . 1 1 3 LEU HB2 H 6.777 1.123 2.139 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB2 . . . . . . . . . c19471_2md4 1 . 10 . 1928 . 1 1 3 LEU HB3 H 5.090 0.880 2.588 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HB3 . . . . . . . . . c19471_2md4 1 . 10 . 1929 . 1 1 3 LEU HD11 H 5.210 0.769 5.807 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD11 . . . . . . . . . c19471_2md4 1 . 10 . 1930 . 1 1 3 LEU HD12 H 5.428 -0.931 5.391 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD12 . . . . . . . . . c19471_2md4 1 . 10 . 1931 . 1 1 3 LEU HD13 H 4.393 0.094 4.397 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD13 . . . . . . . . . c19471_2md4 1 . 10 . 1932 . 1 1 3 LEU HD21 H 7.371 -1.506 3.900 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD21 . . . . . . . . . c19471_2md4 1 . 10 . 1933 . 1 1 3 LEU HD22 H 7.794 -0.685 5.402 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD22 . . . . . . . . . c19471_2md4 1 . 10 . 1934 . 1 1 3 LEU HD23 H 8.527 -0.173 3.882 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HD23 . . . . . . . . . c19471_2md4 1 . 10 . 1935 . 1 1 3 LEU HG H 6.830 1.410 4.426 . . . 1.0 . . . . . . . . . . . . A . 3 LEU HG . . . . . . . . . c19471_2md4 1 . 10 . 1936 . 1 1 3 LEU N N 5.701 -0.689 0.524 . . . 1.0 . . . . . . . . . . . . A . 3 LEU N . . . . . . . . . c19471_2md4 1 . 10 . 1937 . 1 1 3 LEU O O 5.466 -2.389 3.677 . . . 1.0 . . . . . . . . . . . . A . 3 LEU O . . . . . . . . . c19471_2md4 1 . 10 . 1938 . 1 1 4 LEU C C 3.109 -4.365 1.973 . . . 1.0 . . . . . . . . . . . . A . 4 LEU C . . . . . . . . . c19471_2md4 1 . 10 . 1939 . 1 1 4 LEU CA C 2.985 -2.974 2.589 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CA . . . . . . . . . c19471_2md4 1 . 10 . 1940 . 1 1 4 LEU CB C 1.575 -2.428 2.363 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CB . . . . . . . . . c19471_2md4 1 . 10 . 1941 . 1 1 4 LEU CD1 C 1.103 -2.095 4.803 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD1 . . . . . . . . . c19471_2md4 1 . 10 . 1942 . 1 1 4 LEU CD2 C 1.857 -0.164 3.403 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CD2 . . . . . . . . . c19471_2md4 1 . 10 . 1943 . 1 1 4 LEU CG C 1.054 -1.457 3.424 . . . 1.0 . . . . . . . . . . . . A . 4 LEU CG . . . . . . . . . c19471_2md4 1 . 10 . 1944 . 1 1 4 LEU H H 3.775 -1.604 1.182 . . . 1.0 . . . . . . . . . . . . A . 4 LEU H . . . . . . . . . c19471_2md4 1 . 10 . 1945 . 1 1 4 LEU HA H 3.170 -3.046 3.650 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HA . . . . . . . . . c19471_2md4 1 . 10 . 1946 . 1 1 4 LEU HB2 H 1.566 -1.915 1.414 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB2 . . . . . . . . . c19471_2md4 1 . 10 . 1947 . 1 1 4 LEU HB3 H 0.897 -3.269 2.323 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HB3 . . . . . . . . . c19471_2md4 1 . 10 . 1948 . 1 1 4 LEU HD11 H 1.718 -1.495 5.456 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD11 . . . . . . . . . c19471_2md4 1 . 10 . 1949 . 1 1 4 LEU HD12 H 1.523 -3.088 4.725 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD12 . . . . . . . . . c19471_2md4 1 . 10 . 1950 . 1 1 4 LEU HD13 H 0.103 -2.158 5.206 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD13 . . . . . . . . . c19471_2md4 1 . 10 . 1951 . 1 1 4 LEU HD21 H 2.408 -0.068 4.327 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD21 . . . . . . . . . c19471_2md4 1 . 10 . 1952 . 1 1 4 LEU HD22 H 1.185 0.675 3.296 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD22 . . . . . . . . . c19471_2md4 1 . 10 . 1953 . 1 1 4 LEU HD23 H 2.546 -0.182 2.572 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HD23 . . . . . . . . . c19471_2md4 1 . 10 . 1954 . 1 1 4 LEU HG H 0.023 -1.214 3.206 . . . 1.0 . . . . . . . . . . . . A . 4 LEU HG . . . . . . . . . c19471_2md4 1 . 10 . 1955 . 1 1 4 LEU N N 3.976 -2.065 2.023 . . . 1.0 . . . . . . . . . . . . A . 4 LEU N . . . . . . . . . c19471_2md4 1 . 10 . 1956 . 1 1 4 LEU O O 2.896 -5.373 2.646 . . . 1.0 . . . . . . . . . . . . A . 4 LEU O . . . . . . . . . c19471_2md4 1 . 10 . 1957 . 1 1 5 SER C C 4.969 -6.299 0.268 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . c19471_2md4 1 . 10 . 1958 . 1 1 5 SER CA C 3.606 -5.676 -0.016 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . c19471_2md4 1 . 10 . 1959 . 1 1 5 SER CB C 3.431 -5.468 -1.522 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . c19471_2md4 1 . 10 . 1960 . 1 1 5 SER H H 3.611 -3.571 0.208 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . c19471_2md4 1 . 10 . 1961 . 1 1 5 SER HA H 2.837 -6.347 0.338 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . c19471_2md4 1 . 10 . 1962 . 1 1 5 SER HB2 H 4.262 -4.893 -1.902 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . c19471_2md4 1 . 10 . 1963 . 1 1 5 SER HB3 H 3.403 -6.429 -2.014 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . c19471_2md4 1 . 10 . 1964 . 1 1 5 SER HG H 2.398 -4.093 -2.459 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . c19471_2md4 1 . 10 . 1965 . 1 1 5 SER N N 3.455 -4.410 0.691 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . c19471_2md4 1 . 10 . 1966 . 1 1 5 SER O O 5.103 -7.520 0.352 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . c19471_2md4 1 . 10 . 1967 . 1 1 5 SER OG O 2.229 -4.774 -1.804 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . c19471_2md4 1 . 10 . 1968 . 1 1 6 LYS C C 7.416 -6.573 2.064 . . . 1.0 . . . . . . . . . . . . A . 6 LYS C . . . . . . . . . c19471_2md4 1 . 10 . 1969 . 1 1 6 LYS CA C 7.336 -5.913 0.691 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CA . . . . . . . . . c19471_2md4 1 . 10 . 1970 . 1 1 6 LYS CB C 8.321 -4.745 0.617 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CB . . . . . . . . . c19471_2md4 1 . 10 . 1971 . 1 1 6 LYS CD C 9.761 -4.285 2.623 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CD . . . . . . . . . c19471_2md4 1 . 10 . 1972 . 1 1 6 LYS CE C 10.346 -5.173 3.711 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CE . . . . . . . . . c19471_2md4 1 . 10 . 1973 . 1 1 6 LYS CG C 9.649 -5.025 1.301 . . . 1.0 . . . . . . . . . . . . A . 6 LYS CG . . . . . . . . . c19471_2md4 1 . 10 . 1974 . 1 1 6 LYS H H 5.812 -4.487 0.337 . . . 1.0 . . . . . . . . . . . . A . 6 LYS H . . . . . . . . . c19471_2md4 1 . 10 . 1975 . 1 1 6 LYS HA H 7.597 -6.642 -0.061 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HA . . . . . . . . . c19471_2md4 1 . 10 . 1976 . 1 1 6 LYS HB2 H 8.516 -4.519 -0.421 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB2 . . . . . . . . . c19471_2md4 1 . 10 . 1977 . 1 1 6 LYS HB3 H 7.873 -3.881 1.086 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HB3 . . . . . . . . . c19471_2md4 1 . 10 . 1978 . 1 1 6 LYS HD2 H 10.402 -3.426 2.492 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD2 . . . . . . . . . c19471_2md4 1 . 10 . 1979 . 1 1 6 LYS HD3 H 8.777 -3.958 2.928 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HD3 . . . . . . . . . c19471_2md4 1 . 10 . 1980 . 1 1 6 LYS HE2 H 10.035 -4.795 4.672 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE2 . . . . . . . . . c19471_2md4 1 . 10 . 1981 . 1 1 6 LYS HE3 H 9.968 -6.177 3.579 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HE3 . . . . . . . . . c19471_2md4 1 . 10 . 1982 . 1 1 6 LYS HG2 H 9.732 -6.085 1.486 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG2 . . . . . . . . . c19471_2md4 1 . 10 . 1983 . 1 1 6 LYS HG3 H 10.452 -4.707 0.651 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HG3 . . . . . . . . . c19471_2md4 1 . 10 . 1984 . 1 1 6 LYS HZ1 H 12.152 -5.832 2.895 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 10 . 1985 . 1 1 6 LYS HZ2 H 12.214 -5.556 4.563 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 10 . 1986 . 1 1 6 LYS HZ3 H 12.206 -4.249 3.489 . . . 1.0 . . . . . . . . . . . . A . 6 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 10 . 1987 . 1 1 6 LYS N N 5.981 -5.450 0.415 . . . 1.0 . . . . . . . . . . . . A . 6 LYS N . . . . . . . . . c19471_2md4 1 . 10 . 1988 . 1 1 6 LYS NZ N 11.834 -5.205 3.660 . . . 1.0 . . . . . . . . . . . . A . 6 LYS NZ . . . . . . . . . c19471_2md4 1 . 10 . 1989 . 1 1 6 LYS O O 8.066 -7.605 2.230 . . . 1.0 . . . . . . . . . . . . A . 6 LYS O . . . . . . . . . c19471_2md4 1 . 10 . 1990 . 1 1 7 ALA C C 5.740 -7.643 4.540 . . . 1.0 . . . . . . . . . . . . A . 7 ALA C . . . . . . . . . c19471_2md4 1 . 10 . 1991 . 1 1 7 ALA CA C 6.743 -6.503 4.402 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CA . . . . . . . . . c19471_2md4 1 . 10 . 1992 . 1 1 7 ALA CB C 6.430 -5.398 5.400 . . . 1.0 . . . . . . . . . . . . A . 7 ALA CB . . . . . . . . . c19471_2md4 1 . 10 . 1993 . 1 1 7 ALA H H 6.250 -5.152 2.850 . . . 1.0 . . . . . . . . . . . . A . 7 ALA H . . . . . . . . . c19471_2md4 1 . 10 . 1994 . 1 1 7 ALA HA H 7.733 -6.879 4.618 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HA . . . . . . . . . c19471_2md4 1 . 10 . 1995 . 1 1 7 ALA HB1 H 7.224 -4.667 5.387 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB1 . . . . . . . . . c19471_2md4 1 . 10 . 1996 . 1 1 7 ALA HB2 H 5.498 -4.923 5.130 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB2 . . . . . . . . . c19471_2md4 1 . 10 . 1997 . 1 1 7 ALA HB3 H 6.346 -5.821 6.390 . . . 1.0 . . . . . . . . . . . . A . 7 ALA HB3 . . . . . . . . . c19471_2md4 1 . 10 . 1998 . 1 1 7 ALA N N 6.750 -5.972 3.044 . . . 1.0 . . . . . . . . . . . . A . 7 ALA N . . . . . . . . . c19471_2md4 1 . 10 . 1999 . 1 1 7 ALA O O 5.993 -8.622 5.242 . . . 1.0 . . . . . . . . . . . . A . 7 ALA O . . . . . . . . . c19471_2md4 1 . 10 . 2000 . 1 1 8 GLN C C 3.963 -9.757 3.108 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . c19471_2md4 1 . 10 . 2001 . 1 1 8 GLN CA C 3.560 -8.528 3.916 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . c19471_2md4 1 . 10 . 2002 . 1 1 8 GLN CB C 2.240 -7.965 3.387 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . c19471_2md4 1 . 10 . 2003 . 1 1 8 GLN CD C -0.231 -8.424 3.646 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . c19471_2md4 1 . 10 . 2004 . 1 1 8 GLN CG C 1.129 -8.999 3.301 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . c19471_2md4 1 . 10 . 2005 . 1 1 8 GLN H H 4.459 -6.706 3.324 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . c19471_2md4 1 . 10 . 2006 . 1 1 8 GLN HA H 3.430 -8.818 4.948 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . c19471_2md4 1 . 10 . 2007 . 1 1 8 GLN HB2 H 1.914 -7.170 4.041 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . c19471_2md4 1 . 10 . 2008 . 1 1 8 GLN HB3 H 2.405 -7.563 2.399 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . c19471_2md4 1 . 10 . 2009 . 1 1 8 GLN HE21 H -0.927 -8.931 1.854 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . c19471_2md4 1 . 10 . 2010 . 1 1 8 GLN HE22 H -2.053 -8.144 2.902 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . c19471_2md4 1 . 10 . 2011 . 1 1 8 GLN HG2 H 1.093 -9.387 2.294 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . c19471_2md4 1 . 10 . 2012 . 1 1 8 GLN HG3 H 1.349 -9.802 3.988 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . c19471_2md4 1 . 10 . 2013 . 1 1 8 GLN N N 4.602 -7.509 3.866 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . c19471_2md4 1 . 10 . 2014 . 1 1 8 GLN NE2 N -1.165 -8.507 2.706 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . c19471_2md4 1 . 10 . 2015 . 1 1 8 GLN O O 3.551 -10.875 3.415 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . c19471_2md4 1 . 10 . 2016 . 1 1 8 GLN OE1 O -0.440 -7.909 4.745 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . c19471_2md4 1 . 10 . 2017 . 1 1 9 GLU C C 5.869 -11.740 2.051 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . c19471_2md4 1 . 10 . 2018 . 1 1 9 GLU CA C 5.226 -10.632 1.220 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . c19471_2md4 1 . 10 . 2019 . 1 1 9 GLU CB C 6.223 -10.115 0.181 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . c19471_2md4 1 . 10 . 2020 . 1 1 9 GLU CD C 6.029 -12.174 -1.268 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . c19471_2md4 1 . 10 . 2021 . 1 1 9 GLU CG C 6.964 -11.218 -0.553 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . c19471_2md4 1 . 10 . 2022 . 1 1 9 GLU H H 5.064 -8.627 1.879 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . c19471_2md4 1 . 10 . 2023 . 1 1 9 GLU HA H 4.365 -11.036 0.710 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . c19471_2md4 1 . 10 . 2024 . 1 1 9 GLU HB2 H 5.690 -9.520 -0.546 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . c19471_2md4 1 . 10 . 2025 . 1 1 9 GLU HB3 H 6.950 -9.490 0.679 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . c19471_2md4 1 . 10 . 2026 . 1 1 9 GLU HG2 H 7.621 -10.769 -1.283 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . c19471_2md4 1 . 10 . 2027 . 1 1 9 GLU HG3 H 7.550 -11.778 0.161 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . c19471_2md4 1 . 10 . 2028 . 1 1 9 GLU N N 4.769 -9.541 2.073 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . c19471_2md4 1 . 10 . 2029 . 1 1 9 GLU O O 5.708 -12.925 1.758 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . c19471_2md4 1 . 10 . 2030 . 1 1 9 GLU OE1 O 5.220 -11.706 -2.096 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . c19471_2md4 1 . 10 . 2031 . 1 1 9 GLU OE2 O 6.107 -13.391 -1.000 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . c19471_2md4 1 . 10 . 2032 . 1 1 10 LYS C C 6.350 -12.727 5.105 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c19471_2md4 1 . 10 . 2033 . 1 1 10 LYS CA C 7.267 -12.301 3.963 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c19471_2md4 1 . 10 . 2034 . 1 1 10 LYS CB C 8.554 -11.695 4.527 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c19471_2md4 1 . 10 . 2035 . 1 1 10 LYS CD C 8.763 -9.224 4.926 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c19471_2md4 1 . 10 . 2036 . 1 1 10 LYS CE C 10.266 -9.194 4.696 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c19471_2md4 1 . 10 . 2037 . 1 1 10 LYS CG C 8.314 -10.556 5.502 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c19471_2md4 1 . 10 . 2038 . 1 1 10 LYS H H 6.690 -10.385 3.271 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c19471_2md4 1 . 10 . 2039 . 1 1 10 LYS HA H 7.516 -13.171 3.374 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c19471_2md4 1 . 10 . 2040 . 1 1 10 LYS HB2 H 9.108 -12.469 5.038 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c19471_2md4 1 . 10 . 2041 . 1 1 10 LYS HB3 H 9.150 -11.320 3.707 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c19471_2md4 1 . 10 . 2042 . 1 1 10 LYS HD2 H 8.263 -9.063 3.982 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c19471_2md4 1 . 10 . 2043 . 1 1 10 LYS HD3 H 8.497 -8.435 5.615 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c19471_2md4 1 . 10 . 2044 . 1 1 10 LYS HE2 H 10.661 -10.185 4.858 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c19471_2md4 1 . 10 . 2045 . 1 1 10 LYS HE3 H 10.455 -8.893 3.676 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c19471_2md4 1 . 10 . 2046 . 1 1 10 LYS HG2 H 7.258 -10.502 5.725 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c19471_2md4 1 . 10 . 2047 . 1 1 10 LYS HG3 H 8.866 -10.749 6.411 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c19471_2md4 1 . 10 . 2048 . 1 1 10 LYS HZ1 H 10.731 -8.484 6.605 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c19471_2md4 1 . 10 . 2049 . 1 1 10 LYS HZ2 H 10.630 -7.272 5.428 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c19471_2md4 1 . 10 . 2050 . 1 1 10 LYS HZ3 H 11.979 -8.291 5.479 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . c19471_2md4 1 . 10 . 2051 . 1 1 10 LYS N N 6.599 -11.345 3.088 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c19471_2md4 1 . 10 . 2052 . 1 1 10 LYS NZ N 10.949 -8.244 5.617 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c19471_2md4 1 . 10 . 2053 . 1 1 10 LYS O O 6.793 -13.348 6.071 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c19471_2md4 1 . 10 . 2054 . 1 1 11 PHE C C 2.984 -13.611 5.428 . . . 1.0 . . . . . . . . . . . . A . 11 PHE C . . . . . . . . . c19471_2md4 1 . 10 . 2055 . 1 1 11 PHE CA C 4.090 -12.737 6.010 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CA . . . . . . . . . c19471_2md4 1 . 10 . 2056 . 1 1 11 PHE CB C 3.487 -11.470 6.620 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CB . . . . . . . . . c19471_2md4 1 . 10 . 2057 . 1 1 11 PHE CD1 C 5.579 -11.208 7.982 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD1 . . . . . . . . . c19471_2md4 1 . 10 . 2058 . 1 1 11 PHE CD2 C 4.332 -9.251 7.432 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CD2 . . . . . . . . . c19471_2md4 1 . 10 . 2059 . 1 1 11 PHE CE1 C 6.500 -10.435 8.662 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE1 . . . . . . . . . c19471_2md4 1 . 10 . 2060 . 1 1 11 PHE CE2 C 5.251 -8.473 8.110 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CE2 . . . . . . . . . c19471_2md4 1 . 10 . 2061 . 1 1 11 PHE CG C 4.486 -10.626 7.359 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CG . . . . . . . . . c19471_2md4 1 . 10 . 2062 . 1 1 11 PHE CZ C 6.335 -9.065 8.727 . . . 1.0 . . . . . . . . . . . . A . 11 PHE CZ . . . . . . . . . c19471_2md4 1 . 10 . 2063 . 1 1 11 PHE H H 4.777 -11.893 4.193 . . . 1.0 . . . . . . . . . . . . A . 11 PHE H . . . . . . . . . c19471_2md4 1 . 10 . 2064 . 1 1 11 PHE HA H 4.601 -13.290 6.782 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HA . . . . . . . . . c19471_2md4 1 . 10 . 2065 . 1 1 11 PHE HB2 H 3.062 -10.866 5.832 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB2 . . . . . . . . . c19471_2md4 1 . 10 . 2066 . 1 1 11 PHE HB3 H 2.709 -11.749 7.314 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HB3 . . . . . . . . . c19471_2md4 1 . 10 . 2067 . 1 1 11 PHE HD1 H 5.708 -12.280 7.931 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD1 . . . . . . . . . c19471_2md4 1 . 10 . 2068 . 1 1 11 PHE HD2 H 3.484 -8.786 6.951 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HD2 . . . . . . . . . c19471_2md4 1 . 10 . 2069 . 1 1 11 PHE HE1 H 7.347 -10.902 9.143 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE1 . . . . . . . . . c19471_2md4 1 . 10 . 2070 . 1 1 11 PHE HE2 H 5.119 -7.402 8.160 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HE2 . . . . . . . . . c19471_2md4 1 . 10 . 2071 . 1 1 11 PHE HZ H 7.054 -8.459 9.258 . . . 1.0 . . . . . . . . . . . . A . 11 PHE HZ . . . . . . . . . c19471_2md4 1 . 10 . 2072 . 1 1 11 PHE N N 5.070 -12.389 4.987 . . . 1.0 . . . . . . . . . . . . A . 11 PHE N . . . . . . . . . c19471_2md4 1 . 10 . 2073 . 1 1 11 PHE O O 2.435 -14.474 6.112 . . . 1.0 . . . . . . . . . . . . A . 11 PHE O . . . . . . . . . c19471_2md4 1 . 10 . 2074 . 1 1 12 GLY C C 2.113 -15.509 3.037 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . c19471_2md4 1 . 10 . 2075 . 1 1 12 GLY CA C 1.621 -14.154 3.506 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . c19471_2md4 1 . 10 . 2076 . 1 1 12 GLY H H 3.132 -12.679 3.662 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . c19471_2md4 1 . 10 . 2077 . 1 1 12 GLY HA2 H 0.805 -14.298 4.199 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . c19471_2md4 1 . 10 . 2078 . 1 1 12 GLY HA3 H 1.260 -13.600 2.651 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . c19471_2md4 1 . 10 . 2079 . 1 1 12 GLY N N 2.661 -13.380 4.159 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . c19471_2md4 1 . 10 . 2080 . 1 1 12 GLY O O 1.447 -16.181 2.251 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . c19471_2md4 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 c19471_2md4 _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 2md4.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c19471_2md4 1 1 2md4.mr . . DYANA/DIANA 2 distance NOE simple 114 c19471_2md4 1 1 2md4.mr . . DYANA/DIANA 3 'dihedral angle' 'Not applicable' 'Not applicable' 22 c19471_2md4 1 1 2md4.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c19471_2md4 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c19471_2md4 _Gen_dist_constraint_list.ID 1 _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 2 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 . . . . c19471_2md4 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 1 1 TRP HA H . . . 1 1 2 2 LYS H H . . . . . . . 3.5 . . . . . A . 1 TRP HA . . A . 2 LYS H . . . 1 TRP HA . . . . . 2 LYS H . . c19471_2md4 1 2 1 OR . 1 1 2 2 LYS H H . . . 1 1 1 1 TRP HB2 H . . . . . . . 3.3 . . . . . A . 2 LYS H . . A . 1 TRP HB2 . . . 2 LYS H . . . . . 1 TRP QB . . c19471_2md4 1 2 2 OR . 1 1 2 2 LYS H H . . . 1 1 1 1 TRP HB3 H . . . . . . . 3.3 . . . . . A . 2 LYS H . . A . 1 TRP HB3 . . . 2 LYS H . . . . . 1 TRP QB . . c19471_2md4 1 3 1 OR . 1 1 1 1 TRP H1 H . . . 1 1 1 1 TRP HB2 H . . . . . . . 3.5 . . . . . A . 1 TRP H1 . . A . 1 TRP HB2 . . . 1 TRP H . . . . . 1 TRP QB . . c19471_2md4 1 3 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 1 1 TRP H1 H . . . . . . . 3.5 . . . . . A . 1 TRP HB3 . . A . 1 TRP H1 . . . 1 TRP QB . . . . . 1 TRP H . . c19471_2md4 1 4 1 OR . 1 1 3 3 LEU H H . . . 1 1 1 1 TRP HB2 H . . . . . . . 3.9 . . . . . A . 3 LEU H . . A . 1 TRP HB2 . . . 3 LEU H . . . . . 1 TRP QB . . c19471_2md4 1 4 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 3 3 LEU H H . . . . . . . 3.9 . . . . . A . 1 TRP HB3 . . A . 3 LEU H . . . 1 TRP QB . . . . . 3 LEU H . . c19471_2md4 1 5 1 OR . 1 1 4 4 LEU H H . . . 1 1 1 1 TRP HB2 H . . . . . . . 4.5 . . . . . A . 4 LEU H . . A . 1 TRP HB2 . . . 4 LEU H . . . . . 1 TRP QB . . c19471_2md4 1 5 2 OR . 1 1 1 1 TRP HB3 H . . . 1 1 4 4 LEU H H . . . . . . . 4.5 . . . . . A . 1 TRP HB3 . . A . 4 LEU H . . . 1 TRP QB . . . . . 4 LEU H . . c19471_2md4 1 6 1 . . 1 1 1 1 TRP HA H . . . 1 1 3 3 LEU H H . . . . . . . 4.4 . . . . . A . 1 TRP HA . . A . 3 LEU H . . . 1 TRP HA . . . . . 3 LEU H . . c19471_2md4 1 7 1 . . 1 1 1 1 TRP HA H . . . 1 1 4 4 LEU H H . . . . . . . 4.2 . . . . . A . 1 TRP HA . . A . 4 LEU H . . . 1 TRP HA . . . . . 4 LEU H . . c19471_2md4 1 8 1 . . 1 1 1 1 TRP HA H . . . 1 1 5 5 SER H H . . . . . . . 4.2 . . . . . A . 1 TRP HA . . A . 5 SER H . . . 1 TRP HA . . . . . 5 SER H . . c19471_2md4 1 9 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HD2 H . . . . . . . 4.0 . . . . . A . 2 LYS H . . A . 2 LYS HD2 . . . 2 LYS H . . . . . 2 LYS QD . . c19471_2md4 1 9 2 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HD3 H . . . . . . . 4.0 . . . . . A . 2 LYS H . . A . 2 LYS HD3 . . . 2 LYS H . . . . . 2 LYS QD . . c19471_2md4 1 10 1 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HG2 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HG2 . . . 2 LYS H . . . . . 2 LYS QG . . c19471_2md4 1 10 2 OR . 1 1 2 2 LYS H H . . . 1 1 2 2 LYS HG3 H . . . . . . . 3.8 . . . . . A . 2 LYS H . . A . 2 LYS HG3 . . . 2 LYS H . . . . . 2 LYS QG . . c19471_2md4 1 11 1 . . 1 1 2 2 LYS HA H . . . 1 1 6 6 LYS H H . . . . . . . 3.5 . . . . . A . 2 LYS HA . . A . 6 LYS H . . . 2 LYS HA . . . . . 6 LYS H . . c19471_2md4 1 12 1 . . 1 1 5 5 SER H H . . . 1 1 2 2 LYS HA H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 2 LYS HA . . . 5 SER H . . . . . 2 LYS HA . . c19471_2md4 1 13 1 . . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HA H . . . . . . . 3.3 . . . . . A . 3 LEU H . . A . 2 LYS HA . . . 3 LEU H . . . . . 2 LYS HA . . c19471_2md4 1 14 1 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HD2 H . . . . . . . 3.9 . . . . . A . 3 LEU H . . A . 2 LYS HD2 . . . 3 LEU H . . . . . 2 LYS QD . . c19471_2md4 1 14 2 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HD3 H . . . . . . . 3.9 . . . . . A . 3 LEU H . . A . 2 LYS HD3 . . . 3 LEU H . . . . . 2 LYS QD . . c19471_2md4 1 15 1 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HG2 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 2 LYS HG2 . . . 3 LEU H . . . . . 2 LYS QG . . c19471_2md4 1 15 2 OR . 1 1 3 3 LEU H H . . . 1 1 2 2 LYS HG3 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 2 LYS HG3 . . . 3 LEU H . . . . . 2 LYS QG . . c19471_2md4 1 16 1 . . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HA H . . . . . . . 4.4 . . . . . A . 4 LEU H . . A . 2 LYS HA . . . 4 LEU H . . . . . 2 LYS HA . . c19471_2md4 1 17 1 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HD2 H . . . . . . . 4.0 . . . . . A . 4 LEU H . . A . 2 LYS HD2 . . . 4 LEU H . . . . . 2 LYS QD . . c19471_2md4 1 17 2 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HD3 H . . . . . . . 4.0 . . . . . A . 4 LEU H . . A . 2 LYS HD3 . . . 4 LEU H . . . . . 2 LYS QD . . c19471_2md4 1 18 1 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HG2 H . . . . . . . 4.3 . . . . . A . 4 LEU H . . A . 2 LYS HG2 . . . 4 LEU H . . . . . 2 LYS QG . . c19471_2md4 1 18 2 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HG3 H . . . . . . . 4.3 . . . . . A . 4 LEU H . . A . 2 LYS HG3 . . . 4 LEU H . . . . . 2 LYS QG . . c19471_2md4 1 19 1 OR . 1 1 6 6 LYS H H . . . 1 1 2 2 LYS HG2 H . . . . . . . 4.0 . . . . . A . 6 LYS H . . A . 2 LYS HG2 . . . 6 LYS H . . . . . 2 LYS QG . . c19471_2md4 1 19 2 OR . 1 1 2 2 LYS HG3 H . . . 1 1 6 6 LYS H H . . . . . . . 4.0 . . . . . A . 2 LYS HG3 . . A . 6 LYS H . . . 2 LYS QG . . . . . 6 LYS H . . c19471_2md4 1 20 1 . . 1 1 5 5 SER H H . . . 1 1 2 2 LYS HA H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 2 LYS HA . . . 5 SER H . . . . . 2 LYS HA . . c19471_2md4 1 21 1 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HB2 H . . . . . . . 4.5 . . . . . A . 4 LEU H . . A . 2 LYS HB2 . . . 4 LEU H . . . . . 2 LYS QB . . c19471_2md4 1 21 2 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HB3 H . . . . . . . 4.5 . . . . . A . 4 LEU H . . A . 2 LYS HB3 . . . 4 LEU H . . . . . 2 LYS QB . . c19471_2md4 1 22 1 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HD2 H . . . . . . . 4.2 . . . . . A . 4 LEU H . . A . 2 LYS HD2 . . . 4 LEU H . . . . . 2 LYS QD . . c19471_2md4 1 22 2 OR . 1 1 4 4 LEU H H . . . 1 1 2 2 LYS HD3 H . . . . . . . 4.2 . . . . . A . 4 LEU H . . A . 2 LYS HD3 . . . 4 LEU H . . . . . 2 LYS QD . . c19471_2md4 1 23 1 . . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU HA H . . . . . . . 3.2 . . . . . A . 4 LEU H . . A . 3 LEU HA . . . 4 LEU H . . . . . 3 LEU HA . . c19471_2md4 1 24 1 . . 1 1 5 5 SER H H . . . 1 1 3 3 LEU HA H . . . . . . . 4.4 . . . . . A . 5 SER H . . A . 3 LEU HA . . . 5 SER H . . . . . 3 LEU HA . . c19471_2md4 1 25 1 . . 1 1 3 3 LEU HA H . . . 1 1 7 7 ALA H H . . . . . . . 3.8 . . . . . A . 3 LEU HA . . A . 7 ALA H . . . 3 LEU HA . . . . . 7 ALA H . . c19471_2md4 1 26 1 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HB2 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 3 LEU HB2 . . . 3 LEU H . . . . . 3 LEU QB . . c19471_2md4 1 26 2 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU HB3 H . . . . . . . 3.8 . . . . . A . 3 LEU H . . A . 3 LEU HB3 . . . 3 LEU H . . . . . 3 LEU QB . . c19471_2md4 1 27 1 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.0 . . . . . A . 3 LEU H . . A . 3 LEU MD1 . . . 3 LEU H . . . . . 3 LEU QQD . . c19471_2md4 1 27 2 OR . 1 1 3 3 LEU H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.0 . . . . . A . 3 LEU H . . A . 3 LEU MD2 . . . 3 LEU H . . . . . 3 LEU QQD . . c19471_2md4 1 28 1 OR . 1 1 6 6 LYS H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 6 LYS H . . A . 3 LEU MD1 . . . 6 LYS H . . . . . 3 LEU QQD . . c19471_2md4 1 28 2 OR . 1 1 6 6 LYS H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.2 . . . . . A . 6 LYS H . . A . 3 LEU MD2 . . . 6 LYS H . . . . . 3 LEU QQD . . c19471_2md4 1 29 1 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 4 LEU H . . A . 3 LEU MD1 . . . 4 LEU H . . . . . 3 LEU QQD . . c19471_2md4 1 29 2 OR . 1 1 4 4 LEU H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.2 . . . . . A . 4 LEU H . . A . 3 LEU MD2 . . . 4 LEU H . . . . . 3 LEU QQD . . c19471_2md4 1 30 1 OR . 1 1 7 7 ALA H H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 7 ALA H . . A . 3 LEU MD1 . . . 7 ALA H . . . . . 3 LEU QQD . . c19471_2md4 1 30 2 OR . 1 1 7 7 ALA H H . . . 1 1 3 3 LEU MD2 H . . . . . . . 4.2 . . . . . A . 7 ALA H . . A . 3 LEU MD2 . . . 7 ALA H . . . . . 3 LEU QQD . . c19471_2md4 1 31 1 . . 1 1 5 5 SER H H . . . 1 1 4 4 LEU HA H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 4 LEU HA . . . 5 SER H . . . . . 4 LEU HA . . c19471_2md4 1 32 1 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB2 H . . . . . . . 3.3 . . . . . A . 4 LEU H . . A . 4 LEU HB2 . . . 4 LEU H . . . . . 4 LEU QB . . c19471_2md4 1 32 2 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU HB3 H . . . . . . . 3.3 . . . . . A . 4 LEU H . . A . 4 LEU HB3 . . . 4 LEU H . . . . . 4 LEU QB . . c19471_2md4 1 33 1 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 3.8 . . . . . A . 4 LEU H . . A . 4 LEU MD1 . . . 4 LEU H . . . . . 4 LEU QQD . . c19471_2md4 1 33 2 OR . 1 1 4 4 LEU H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 3.8 . . . . . A . 4 LEU H . . A . 4 LEU MD2 . . . 4 LEU H . . . . . 4 LEU QQD . . c19471_2md4 1 34 1 OR . 1 1 5 5 SER H H . . . 1 1 4 4 LEU HB2 H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 4 LEU HB2 . . . 5 SER H . . . . . 4 LEU QB . . c19471_2md4 1 34 2 OR . 1 1 5 5 SER H H . . . 1 1 4 4 LEU HB3 H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 4 LEU HB3 . . . 5 SER H . . . . . 4 LEU QB . . c19471_2md4 1 35 1 OR . 1 1 5 5 SER H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.0 . . . . . A . 5 SER H . . A . 4 LEU MD1 . . . 5 SER H . . . . . 4 LEU QQD . . c19471_2md4 1 35 2 OR . 1 1 5 5 SER H H . . . 1 1 4 4 LEU MD2 H . . . . . . . 4.0 . . . . . A . 5 SER H . . A . 4 LEU MD2 . . . 5 SER H . . . . . 4 LEU QQD . . c19471_2md4 1 36 1 OR . 1 1 8 8 GLN H H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.2 . . . . . A . 8 GLN H . . A . 4 LEU MD1 . . . 8 GLN H . . . . . 4 LEU QQD . . c19471_2md4 1 36 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 8 8 GLN H H . . . . . . . 4.2 . . . . . A . 4 LEU MD2 . . A . 8 GLN H . . . 4 LEU QQD . . . . . 8 GLN H . . c19471_2md4 1 37 1 . . 1 1 6 6 LYS H H . . . 1 1 5 5 SER HA H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 5 SER HA . . . 6 LYS H . . . . . 5 SER HA . . c19471_2md4 1 38 1 . . 1 1 7 7 ALA H H . . . 1 1 5 5 SER HA H . . . . . . . 4.4 . . . . . A . 7 ALA H . . A . 5 SER HA . . . 7 ALA H . . . . . 5 SER HA . . c19471_2md4 1 39 1 . . 1 1 8 8 GLN H H . . . 1 1 5 5 SER HA H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 5 SER HA . . . 8 GLN H . . . . . 5 SER HA . . c19471_2md4 1 40 1 . . 1 1 5 5 SER HA H . . . 1 1 9 9 GLU H H . . . . . . . 3.5 . . . . . A . 5 SER HA . . A . 9 GLU H . . . 5 SER HA . . . . . 9 GLU H . . c19471_2md4 1 41 1 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB2 H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 5 SER HB2 . . . 5 SER H . . . . . 5 SER QB . . c19471_2md4 1 41 2 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB3 H . . . . . . . 3.3 . . . . . A . 5 SER H . . A . 5 SER HB3 . . . 5 SER H . . . . . 5 SER QB . . c19471_2md4 1 42 1 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 SER HB2 H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 5 SER HB2 . . . 6 LYS H . . . . . 5 SER QB . . c19471_2md4 1 42 2 OR . 1 1 6 6 LYS H H . . . 1 1 5 5 SER HB3 H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 5 SER HB3 . . . 6 LYS H . . . . . 5 SER QB . . c19471_2md4 1 43 1 OR . 1 1 8 8 GLN H H . . . 1 1 5 5 SER HB2 H . . . . . . . 4.8 . . . . . A . 8 GLN H . . A . 5 SER HB2 . . . 8 GLN H . . . . . 5 SER QB . . c19471_2md4 1 43 2 OR . 1 1 8 8 GLN H H . . . 1 1 5 5 SER HB3 H . . . . . . . 4.8 . . . . . A . 8 GLN H . . A . 5 SER HB3 . . . 8 GLN H . . . . . 5 SER QB . . c19471_2md4 1 44 1 OR . 1 1 9 9 GLU H H . . . 1 1 5 5 SER HB2 H . . . . . . . 4.2 . . . . . A . 9 GLU H . . A . 5 SER HB2 . . . 9 GLU H . . . . . 5 SER QB . . c19471_2md4 1 44 2 OR . 1 1 9 9 GLU H H . . . 1 1 5 5 SER HB3 H . . . . . . . 4.2 . . . . . A . 9 GLU H . . A . 5 SER HB3 . . . 9 GLU H . . . . . 5 SER QB . . c19471_2md4 1 45 1 . . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HA H . . . . . . . 3.3 . . . . . A . 7 ALA H . . A . 6 LYS HA . . . 7 ALA H . . . . . 6 LYS HA . . c19471_2md4 1 46 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB2 H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 6 LYS HB2 . . . 6 LYS H . . . . . 6 LYS QB . . c19471_2md4 1 46 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HB3 H . . . . . . . 3.3 . . . . . A . 6 LYS H . . A . 6 LYS HB3 . . . 6 LYS H . . . . . 6 LYS QB . . c19471_2md4 1 47 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD2 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 6 LYS HD2 . . . 6 LYS H . . . . . 6 LYS QD . . c19471_2md4 1 47 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HD3 H . . . . . . . 3.8 . . . . . A . 6 LYS H . . A . 6 LYS HD3 . . . 6 LYS H . . . . . 6 LYS QD . . c19471_2md4 1 48 1 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG2 H . . . . . . . 4.0 . . . . . A . 6 LYS H . . A . 6 LYS HG2 . . . 6 LYS H . . . . . 6 LYS QG . . c19471_2md4 1 48 2 OR . 1 1 6 6 LYS H H . . . 1 1 6 6 LYS HG3 H . . . . . . . 4.0 . . . . . A . 6 LYS H . . A . 6 LYS HG3 . . . 6 LYS H . . . . . 6 LYS QG . . c19471_2md4 1 49 1 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HD2 H . . . . . . . 4.0 . . . . . A . 7 ALA H . . A . 6 LYS HD2 . . . 7 ALA H . . . . . 6 LYS QD . . c19471_2md4 1 49 2 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HD3 H . . . . . . . 4.0 . . . . . A . 7 ALA H . . A . 6 LYS HD3 . . . 7 ALA H . . . . . 6 LYS QD . . c19471_2md4 1 50 1 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HB2 H . . . . . . . 3.5 . . . . . A . 7 ALA H . . A . 6 LYS HB2 . . . 7 ALA H . . . . . 6 LYS QB . . c19471_2md4 1 50 2 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HB3 H . . . . . . . 3.5 . . . . . A . 7 ALA H . . A . 6 LYS HB3 . . . 7 ALA H . . . . . 6 LYS QB . . c19471_2md4 1 51 1 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HG2 H . . . . . . . 3.6 . . . . . A . 7 ALA H . . A . 6 LYS HG2 . . . 7 ALA H . . . . . 6 LYS QG . . c19471_2md4 1 51 2 OR . 1 1 7 7 ALA H H . . . 1 1 6 6 LYS HG3 H . . . . . . . 3.6 . . . . . A . 7 ALA H . . A . 6 LYS HG3 . . . 7 ALA H . . . . . 6 LYS QG . . c19471_2md4 1 52 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 ALA HA H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 7 ALA HA . . . 8 GLN H . . . . . 7 ALA HA . . c19471_2md4 1 53 1 . . 1 1 7 7 ALA H H . . . 1 1 7 7 ALA MB H . . . . . . . 3.3 . . . . . A . 7 ALA H . . A . 7 ALA MB . . . 7 ALA H . . . . . 7 ALA QB . . c19471_2md4 1 54 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 ALA MB H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 7 ALA MB . . . 8 GLN H . . . . . 7 ALA QB . . c19471_2md4 1 55 1 . . 1 1 9 9 GLU H H . . . 1 1 7 7 ALA MB H . . . . . . . 4.4 . . . . . A . 9 GLU H . . A . 7 ALA MB . . . 9 GLU H . . . . . 7 ALA QB . . c19471_2md4 1 56 1 . . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HA H . . . . . . . 3.3 . . . . . A . 9 GLU H . . A . 8 GLN HA . . . 9 GLU H . . . . . 8 GLN HA . . c19471_2md4 1 57 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 8 GLN HB2 . . . 8 GLN H . . . . . 8 GLN QB . . c19471_2md4 1 57 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.3 . . . . . A . 8 GLN H . . A . 8 GLN HB3 . . . 8 GLN H . . . . . 8 GLN QB . . c19471_2md4 1 58 1 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HB2 H . . . . . . . 3.3 . . . . . A . 9 GLU H . . A . 8 GLN HB2 . . . 9 GLU H . . . . . 8 GLN QB . . c19471_2md4 1 58 2 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HB3 H . . . . . . . 3.3 . . . . . A . 9 GLU H . . A . 8 GLN HB3 . . . 9 GLU H . . . . . 8 GLN QB . . c19471_2md4 1 59 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 3.8 . . . . . A . 8 GLN H . . A . 8 GLN HG2 . . . 8 GLN H . . . . . 8 GLN QG . . c19471_2md4 1 59 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 3.8 . . . . . A . 8 GLN H . . A . 8 GLN HG3 . . . 8 GLN H . . . . . 8 GLN QG . . c19471_2md4 1 60 1 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HG2 H . . . . . . . 4.0 . . . . . A . 9 GLU H . . A . 8 GLN HG2 . . . 9 GLU H . . . . . 8 GLN QG . . c19471_2md4 1 60 2 OR . 1 1 9 9 GLU H H . . . 1 1 8 8 GLN HG3 H . . . . . . . 4.0 . . . . . A . 9 GLU H . . A . 8 GLN HG3 . . . 9 GLU H . . . . . 8 GLN QG . . c19471_2md4 1 61 1 . . 1 1 8 8 GLN HA H . . . 1 1 11 11 PHE QD H . . . . . . . 4.2 . . . . . A . 8 GLN HA . . A . 11 PHE QD . . . 8 GLN HA . . . . . 11 PHE QD . . c19471_2md4 1 62 1 . . 1 1 8 8 GLN HA H . . . 1 1 11 11 PHE QE H . . . . . . . 4.2 . . . . . A . 8 GLN HA . . A . 11 PHE QE . . . 8 GLN HA . . . . . 11 PHE QE . . c19471_2md4 1 63 1 OR . 1 1 11 11 PHE QD H . . . 1 1 8 8 GLN HG2 H . . . . . . . 4.2 . . . . . A . 11 PHE QD . . A . 8 GLN HG2 . . . 11 PHE QD . . . . . 8 GLN QG . . c19471_2md4 1 63 2 OR . 1 1 8 8 GLN HG3 H . . . 1 1 11 11 PHE QD H . . . . . . . 4.2 . . . . . A . 8 GLN HG3 . . A . 11 PHE QD . . . 8 GLN QG . . . . . 11 PHE QD . . c19471_2md4 1 64 1 . . 1 1 9 9 GLU HA H . . . 1 1 10 10 LYS H H . . . . . . . 3.4 . . . . . A . 9 GLU HA . . A . 10 LYS H . . . 9 GLU HA . . . . . 10 LYS H . . c19471_2md4 1 65 1 . . 1 1 9 9 GLU HA H . . . 1 1 11 11 PHE H H . . . . . . . 4.4 . . . . . A . 9 GLU HA . . A . 11 PHE H . . . 9 GLU HA . . . . . 11 PHE H . . c19471_2md4 1 66 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HB2 H . . . . . . . 3.8 . . . . . A . 9 GLU H . . A . 9 GLU HB2 . . . 9 GLU H . . . . . 9 GLU QB . . c19471_2md4 1 66 2 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HB3 H . . . . . . . 3.8 . . . . . A . 9 GLU H . . A . 9 GLU HB3 . . . 9 GLU H . . . . . 9 GLU QB . . c19471_2md4 1 67 1 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG2 H . . . . . . . 4.1 . . . . . A . 9 GLU H . . A . 9 GLU HG2 . . . 9 GLU H . . . . . 9 GLU QG . . c19471_2md4 1 67 2 OR . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HG3 H . . . . . . . 4.1 . . . . . A . 9 GLU H . . A . 9 GLU HG3 . . . 9 GLU H . . . . . 9 GLU QG . . c19471_2md4 1 68 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 GLU HB2 H . . . . . . . 3.8 . . . . . A . 10 LYS H . . A . 9 GLU HB2 . . . 10 LYS H . . . . . 9 GLU QB . . c19471_2md4 1 68 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 GLU HB3 H . . . . . . . 3.8 . . . . . A . 10 LYS H . . A . 9 GLU HB3 . . . 10 LYS H . . . . . 9 GLU QB . . c19471_2md4 1 69 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 GLU HG2 H . . . . . . . 4.1 . . . . . A . 10 LYS H . . A . 9 GLU HG2 . . . 10 LYS H . . . . . 9 GLU QG . . c19471_2md4 1 69 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 GLU HG3 H . . . . . . . 4.1 . . . . . A . 10 LYS H . . A . 9 GLU HG3 . . . 10 LYS H . . . . . 9 GLU QG . . c19471_2md4 1 70 1 OR . 1 1 11 11 PHE H H . . . 1 1 9 9 GLU HB2 H . . . . . . . 4.4 . . . . . A . 11 PHE H . . A . 9 GLU HB2 . . . 11 PHE H . . . . . 9 GLU QB . . c19471_2md4 1 70 2 OR . 1 1 11 11 PHE H H . . . 1 1 9 9 GLU HB3 H . . . . . . . 4.4 . . . . . A . 11 PHE H . . A . 9 GLU HB3 . . . 11 PHE H . . . . . 9 GLU QB . . c19471_2md4 1 71 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . . . 3.3 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . . . 10 LYS H . . . . . 10 LYS QB . . c19471_2md4 1 71 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . . . 3.3 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . . . 10 LYS H . . . . . 10 LYS QB . . c19471_2md4 1 72 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 3.8 . . . . . A . 10 LYS H . . A . 10 LYS HG2 . . . 10 LYS H . . . . . 10 LYS QG . . c19471_2md4 1 72 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . . . 3.8 . . . . . A . 10 LYS H . . A . 10 LYS HG3 . . . 10 LYS H . . . . . 10 LYS QG . . c19471_2md4 1 73 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD2 H . . . . . . . 4.0 . . . . . A . 10 LYS H . . A . 10 LYS HD2 . . . 10 LYS H . . . . . 10 LYS QD . . c19471_2md4 1 73 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD3 H . . . . . . . 4.0 . . . . . A . 10 LYS H . . A . 10 LYS HD3 . . . 10 LYS H . . . . . 10 LYS QD . . c19471_2md4 1 74 1 OR . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS HD2 H . . . . . . . 4.2 . . . . . A . 11 PHE H . . A . 10 LYS HD2 . . . 11 PHE H . . . . . 10 LYS QD . . c19471_2md4 1 74 2 OR . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS HD3 H . . . . . . . 4.2 . . . . . A . 11 PHE H . . A . 10 LYS HD3 . . . 11 PHE H . . . . . 10 LYS QD . . c19471_2md4 1 75 1 OR . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS HG2 H . . . . . . . 4.0 . . . . . A . 11 PHE H . . A . 10 LYS HG2 . . . 11 PHE H . . . . . 10 LYS QG . . c19471_2md4 1 75 2 OR . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS HG3 H . . . . . . . 4.0 . . . . . A . 11 PHE H . . A . 10 LYS HG3 . . . 11 PHE H . . . . . 10 LYS QG . . c19471_2md4 1 76 1 . . 1 1 11 11 PHE H H . . . 1 1 10 10 LYS HA H . . . . . . . 3.0 . . . . . A . 11 PHE H . . A . 10 LYS HA . . . 11 PHE H . . . . . 10 LYS HA . . c19471_2md4 1 77 1 OR . 1 1 11 11 PHE H H . . . 1 1 11 11 PHE HB2 H . . . . . . . 3.3 . . . . . A . 11 PHE H . . A . 11 PHE HB2 . . . 11 PHE H . . . . . 11 PHE QB . . c19471_2md4 1 77 2 OR . 1 1 11 11 PHE H H . . . 1 1 11 11 PHE HB3 H . . . . . . . 3.3 . . . . . A . 11 PHE H . . A . 11 PHE HB3 . . . 11 PHE H . . . . . 11 PHE QB . . c19471_2md4 1 78 1 . . 1 1 11 11 PHE HA H . . . 1 1 12 12 GLY H H . . . . . . . 3.5 . . . . . A . 11 PHE HA . . A . 12 GLY H . . . 11 PHE HA . . . . . 12 GLY H . . c19471_2md4 1 79 1 OR . 1 1 12 12 GLY H H . . . 1 1 11 11 PHE HB2 H . . . . . . . 3.3 . . . . . A . 12 GLY H . . A . 11 PHE HB2 . . . 12 GLY H . . . . . 11 PHE QB . . c19471_2md4 1 79 2 OR . 1 1 11 11 PHE HB3 H . . . 1 1 12 12 GLY H H . . . . . . . 3.3 . . . . . A . 11 PHE HB3 . . A . 12 GLY H . . . 11 PHE QB . . . . . 12 GLY H . . c19471_2md4 1 80 1 . . 1 1 2 2 LYS H H . . . 1 1 3 3 LEU H H . . . . . . . 2.8 . . . . . A . 2 LYS H . . A . 3 LEU H . . . 2 LYS H . . . . . 3 LEU H . . c19471_2md4 1 81 1 . . 1 1 3 3 LEU H H . . . 1 1 4 4 LEU H H . . . . . . . 2.8 . . . . . A . 3 LEU H . . A . 4 LEU H . . . 3 LEU H . . . . . 4 LEU H . . c19471_2md4 1 82 1 . . 1 1 4 4 LEU H H . . . 1 1 5 5 SER H H . . . . . . . 2.8 . . . . . A . 4 LEU H . . A . 5 SER H . . . 4 LEU H . . . . . 5 SER H . . c19471_2md4 1 83 1 . . 1 1 5 5 SER H H . . . 1 1 6 6 LYS H H . . . . . . . 2.8 . . . . . A . 5 SER H . . A . 6 LYS H . . . 5 SER H . . . . . 6 LYS H . . c19471_2md4 1 84 1 . . 1 1 6 6 LYS H H . . . 1 1 7 7 ALA H H . . . . . . . 2.8 . . . . . A . 6 LYS H . . A . 7 ALA H . . . 6 LYS H . . . . . 7 ALA H . . c19471_2md4 1 85 1 . . 1 1 7 7 ALA H H . . . 1 1 8 8 GLN H H . . . . . . . 2.8 . . . . . A . 7 ALA H . . A . 8 GLN H . . . 7 ALA H . . . . . 8 GLN H . . c19471_2md4 1 86 1 . . 1 1 8 8 GLN H H . . . 1 1 9 9 GLU H H . . . . . . . 2.8 . . . . . A . 8 GLN H . . A . 9 GLU H . . . 8 GLN H . . . . . 9 GLU H . . c19471_2md4 1 87 1 . . 1 1 9 9 GLU H H . . . 1 1 10 10 LYS H H . . . . . . . 2.8 . . . . . A . 9 GLU H . . A . 10 LYS H . . . 9 GLU H . . . . . 10 LYS H . . c19471_2md4 1 88 1 . . 1 1 10 10 LYS H H . . . 1 1 11 11 PHE H H . . . . . . . 2.8 . . . . . A . 10 LYS H . . A . 11 PHE H . . . 10 LYS H . . . . . 11 PHE H . . c19471_2md4 1 89 1 . . 1 1 11 11 PHE H H . . . 1 1 12 12 GLY H H . . . . . . . 2.8 . . . . . A . 11 PHE H . . A . 12 GLY H . . . 11 PHE H . . . . . 12 GLY H . . c19471_2md4 1 90 1 . . 1 1 1 1 TRP H1 H . . . 1 1 3 3 LEU H H . . . . . . . 4.0 . . . . . A . 1 TRP H1 . . A . 3 LEU H . . . 1 TRP H . . . . . 3 LEU H . . c19471_2md4 1 91 1 . . 1 1 2 2 LYS H H . . . 1 1 4 4 LEU H H . . . . . . . 4.0 . . . . . A . 2 LYS H . . A . 4 LEU H . . . 2 LYS H . . . . . 4 LEU H . . c19471_2md4 1 92 1 . . 1 1 3 3 LEU H H . . . 1 1 5 5 SER H H . . . . . . . 4.0 . . . . . A . 3 LEU H . . A . 5 SER H . . . 3 LEU H . . . . . 5 SER H . . c19471_2md4 1 93 1 OR . 1 1 1 1 TRP HE3 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.4 . . . . . A . 1 TRP HE3 . . A . 3 LEU HB2 . . . 1 TRP HE3 . . . . . 3 LEU QB . . c19471_2md4 1 93 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HE3 H . . . . . . . 4.4 . . . . . A . 3 LEU HB3 . . A . 1 TRP HE3 . . . 3 LEU QB . . . . . 1 TRP HE3 . . c19471_2md4 1 94 1 OR . 1 1 1 1 TRP HE3 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.4 . . . . . A . 1 TRP HE3 . . A . 3 LEU MD1 . . . 1 TRP HE3 . . . . . 3 LEU QQD . . c19471_2md4 1 94 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HE3 H . . . . . . . 4.4 . . . . . A . 3 LEU MD2 . . A . 1 TRP HE3 . . . 3 LEU QQD . . . . . 1 TRP HE3 . . c19471_2md4 1 95 1 OR . 1 1 1 1 TRP HE3 H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.2 . . . . . A . 1 TRP HE3 . . A . 4 LEU MD1 . . . 1 TRP HE3 . . . . . 4 LEU QQD . . c19471_2md4 1 95 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 1 1 TRP HE3 H . . . . . . . 4.2 . . . . . A . 4 LEU MD2 . . A . 1 TRP HE3 . . . 4 LEU QQD . . . . . 1 TRP HE3 . . c19471_2md4 1 96 1 OR . 1 1 1 1 TRP HE1 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.0 . . . . . A . 1 TRP HE1 . . A . 3 LEU HB2 . . . 1 TRP HE1 . . . . . 3 LEU QB . . c19471_2md4 1 96 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HE1 H . . . . . . . 4.0 . . . . . A . 3 LEU HB3 . . A . 1 TRP HE1 . . . 3 LEU QB . . . . . 1 TRP HE1 . . c19471_2md4 1 97 1 OR . 1 1 1 1 TRP HE1 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.0 . . . . . A . 1 TRP HE1 . . A . 3 LEU MD1 . . . 1 TRP HE1 . . . . . 3 LEU QQD . . c19471_2md4 1 97 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HE1 H . . . . . . . 4.0 . . . . . A . 3 LEU MD2 . . A . 1 TRP HE1 . . . 3 LEU QQD . . . . . 1 TRP HE1 . . c19471_2md4 1 98 1 OR . 1 1 1 1 TRP HZ2 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.0 . . . . . A . 1 TRP HZ2 . . A . 3 LEU MD1 . . . 1 TRP HZ2 . . . . . 3 LEU QQD . . c19471_2md4 1 98 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HZ2 H . . . . . . . 4.0 . . . . . A . 3 LEU MD2 . . A . 1 TRP HZ2 . . . 3 LEU QQD . . . . . 1 TRP HZ2 . . c19471_2md4 1 99 1 OR . 1 1 1 1 TRP HZ2 H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.0 . . . . . A . 1 TRP HZ2 . . A . 4 LEU MD1 . . . 1 TRP HZ2 . . . . . 4 LEU QQD . . c19471_2md4 1 99 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 1 1 TRP HZ2 H . . . . . . . 4.0 . . . . . A . 4 LEU MD2 . . A . 1 TRP HZ2 . . . 4 LEU QQD . . . . . 1 TRP HZ2 . . c19471_2md4 1 100 1 OR . 1 1 1 1 TRP HZ2 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.0 . . . . . A . 1 TRP HZ2 . . A . 3 LEU HB2 . . . 1 TRP HZ2 . . . . . 3 LEU QB . . c19471_2md4 1 100 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HZ2 H . . . . . . . 4.0 . . . . . A . 3 LEU HB3 . . A . 1 TRP HZ2 . . . 3 LEU QB . . . . . 1 TRP HZ2 . . c19471_2md4 1 101 1 OR . 1 1 1 1 TRP HD1 H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.7 . . . . . A . 1 TRP HD1 . . A . 4 LEU MD1 . . . 1 TRP HD1 . . . . . 4 LEU QQD . . c19471_2md4 1 101 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 4.7 . . . . . A . 4 LEU MD2 . . A . 1 TRP HD1 . . . 4 LEU QQD . . . . . 1 TRP HD1 . . c19471_2md4 1 102 1 . . 1 1 2 2 LYS HG3 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 4.4 . . . . . A . 2 LYS HG3 . . A . 1 TRP HD1 . . . 2 LYS HG3 . . . . . 1 TRP HD1 . . c19471_2md4 1 103 1 OR . 1 1 1 1 TRP HD1 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 3.8 . . . . . A . 1 TRP HD1 . . A . 3 LEU HB2 . . . 1 TRP HD1 . . . . . 3 LEU QB . . c19471_2md4 1 103 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HD1 H . . . . . . . 3.8 . . . . . A . 3 LEU HB3 . . A . 1 TRP HD1 . . . 3 LEU QB . . . . . 1 TRP HD1 . . c19471_2md4 1 104 1 OR . 1 1 1 1 TRP HH2 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 1 TRP HH2 . . A . 3 LEU MD1 . . . 1 TRP HH2 . . . . . 3 LEU QQD . . c19471_2md4 1 104 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HH2 H . . . . . . . 4.2 . . . . . A . 3 LEU MD2 . . A . 1 TRP HH2 . . . 3 LEU QQD . . . . . 1 TRP HH2 . . c19471_2md4 1 105 1 OR . 1 1 1 1 TRP HH2 H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.0 . . . . . A . 1 TRP HH2 . . A . 4 LEU MD1 . . . 1 TRP HH2 . . . . . 4 LEU QQD . . c19471_2md4 1 105 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 1 1 TRP HH2 H . . . . . . . 4.0 . . . . . A . 4 LEU MD2 . . A . 1 TRP HH2 . . . 4 LEU QQD . . . . . 1 TRP HH2 . . c19471_2md4 1 106 1 OR . 1 1 1 1 TRP HH2 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.2 . . . . . A . 1 TRP HH2 . . A . 3 LEU HB2 . . . 1 TRP HH2 . . . . . 3 LEU QB . . c19471_2md4 1 106 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HH2 H . . . . . . . 4.2 . . . . . A . 3 LEU HB3 . . A . 1 TRP HH2 . . . 3 LEU QB . . . . . 1 TRP HH2 . . c19471_2md4 1 107 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 3 3 LEU MD1 H . . . . . . . 4.2 . . . . . A . 1 TRP HZ3 . . A . 3 LEU MD1 . . . 1 TRP HZ3 . . . . . 3 LEU QQD . . c19471_2md4 1 107 2 OR . 1 1 3 3 LEU MD2 H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.2 . . . . . A . 3 LEU MD2 . . A . 1 TRP HZ3 . . . 3 LEU QQD . . . . . 1 TRP HZ3 . . c19471_2md4 1 108 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 4 4 LEU MD1 H . . . . . . . 4.3 . . . . . A . 1 TRP HZ3 . . A . 4 LEU MD1 . . . 1 TRP HZ3 . . . . . 4 LEU QQD . . c19471_2md4 1 108 2 OR . 1 1 4 4 LEU MD2 H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.3 . . . . . A . 4 LEU MD2 . . A . 1 TRP HZ3 . . . 4 LEU QQD . . . . . 1 TRP HZ3 . . c19471_2md4 1 109 1 OR . 1 1 1 1 TRP HZ3 H . . . 1 1 3 3 LEU HB2 H . . . . . . . 4.2 . . . . . A . 1 TRP HZ3 . . A . 3 LEU HB2 . . . 1 TRP HZ3 . . . . . 3 LEU QB . . c19471_2md4 1 109 2 OR . 1 1 3 3 LEU HB3 H . . . 1 1 1 1 TRP HZ3 H . . . . . . . 4.2 . . . . . A . 3 LEU HB3 . . A . 1 TRP HZ3 . . . 3 LEU QB . . . . . 1 TRP HZ3 . . c19471_2md4 1 110 1 . . 1 1 7 7 ALA MB H . . . 1 1 11 11 PHE QE H . . . . . . . 3.8 . . . . . A . 7 ALA MB . . A . 11 PHE QE . . . 7 ALA QB . . . . . 11 PHE QE . . c19471_2md4 1 111 1 . . 1 1 7 7 ALA MB H . . . 1 1 11 11 PHE QD H . . . . . . . 3.8 . . . . . A . 7 ALA MB . . A . 11 PHE QD . . . 7 ALA QB . . . . . 11 PHE QD . . c19471_2md4 1 112 1 . . 1 1 7 7 ALA MB H . . . 1 1 11 11 PHE HZ H . . . . . . . 3.8 . . . . . A . 7 ALA MB . . A . 11 PHE HZ . . . 7 ALA QB . . . . . 11 PHE HZ . . c19471_2md4 1 113 1 OR . 1 1 11 11 PHE QE H . . . 1 1 10 10 LYS HG2 H . . . . . . . 3.8 . . . . . A . 11 PHE QE . . A . 10 LYS HG2 . . . 11 PHE QE . . . . . 10 LYS QG . . c19471_2md4 1 113 2 OR . 1 1 11 11 PHE QE H . . . 1 1 10 10 LYS HG3 H . . . . . . . 3.8 . . . . . A . 11 PHE QE . . A . 10 LYS HG3 . . . 11 PHE QE . . . . . 10 LYS QG . . c19471_2md4 1 114 1 OR . 1 1 11 11 PHE QD H . . . 1 1 10 10 LYS HG2 H . . . . . . . 3.8 . . . . . A . 11 PHE QD . . A . 10 LYS HG2 . . . 11 PHE QD . . . . . 10 LYS QG . . c19471_2md4 1 114 2 OR . 1 1 11 11 PHE QD H . . . 1 1 10 10 LYS HG3 H . . . . . . . 3.8 . . . . . A . 11 PHE QD . . A . 10 LYS HG3 . . . 11 PHE QD . . . . . 10 LYS QG . . c19471_2md4 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Entry_ID c19471_2md4 _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 3 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 . . . . c19471_2md4 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 PSI . 1 1 1 1 TRP N N . . 1 1 1 1 TRP CA C . . 1 1 1 1 TRP C C . . 1 1 2 2 LYS N N . -120.0 120.0 . . . A . 1 TRP N . . A . 1 TRP CA . . A . 1 TRP C . . A . 2 LYS N . . . 1 TRP . . . . . . 1 TRP . . . . . . 1 TRP . . . . . . 1 TRP . . . c19471_2md4 1 2 PHI . 1 1 1 1 TRP C C . . 1 1 2 2 LYS N N . . 1 1 2 2 LYS CA C . . 1 1 2 2 LYS C C . -120.0 -30.0 . . . A . 1 TRP C . . A . 2 LYS N . . A . 2 LYS CA . . A . 2 LYS C . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . c19471_2md4 1 3 PSI . 1 1 2 2 LYS N N . . 1 1 2 2 LYS CA C . . 1 1 2 2 LYS C C . . 1 1 3 3 LEU N N . -120.0 120.0 . . . A . 2 LYS N . . A . 2 LYS CA . . A . 2 LYS C . . A . 3 LEU N . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . . . . 2 LYS . . . c19471_2md4 1 4 PHI . 1 1 2 2 LYS C C . . 1 1 3 3 LEU N N . . 1 1 3 3 LEU CA C . . 1 1 3 3 LEU C C . -120.0 -30.0 . . . A . 2 LYS C . . A . 3 LEU N . . A . 3 LEU CA . . A . 3 LEU C . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . c19471_2md4 1 5 PSI . 1 1 3 3 LEU N N . . 1 1 3 3 LEU CA C . . 1 1 3 3 LEU C C . . 1 1 4 4 LEU N N . -120.0 120.0 . . . A . 3 LEU N . . A . 3 LEU CA . . A . 3 LEU C . . A . 4 LEU N . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . . . . 3 LEU . . . c19471_2md4 1 6 PHI . 1 1 3 3 LEU C C . . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . -120.0 -30.0 . . . A . 3 LEU C . . A . 4 LEU N . . A . 4 LEU CA . . A . 4 LEU C . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . c19471_2md4 1 7 PSI . 1 1 4 4 LEU N N . . 1 1 4 4 LEU CA C . . 1 1 4 4 LEU C C . . 1 1 5 5 SER N N . -120.0 120.0 . . . A . 4 LEU N . . A . 4 LEU CA . . A . 4 LEU C . . A . 5 SER N . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . . . . 4 LEU . . . c19471_2md4 1 8 PHI . 1 1 4 4 LEU C C . . 1 1 5 5 SER N N . . 1 1 5 5 SER CA C . . 1 1 5 5 SER C C . -120.0 -30.0 . . . A . 4 LEU C . . A . 5 SER N . . A . 5 SER CA . . A . 5 SER C . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . c19471_2md4 1 9 PSI . 1 1 5 5 SER N N . . 1 1 5 5 SER CA C . . 1 1 5 5 SER C C . . 1 1 6 6 LYS N N . -120.0 120.0 . . . A . 5 SER N . . A . 5 SER CA . . A . 5 SER C . . A . 6 LYS N . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . . . . 5 SER . . . c19471_2md4 1 10 PHI . 1 1 5 5 SER C C . . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . -120.0 -30.0 . . . A . 5 SER C . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . c19471_2md4 1 11 PSI . 1 1 6 6 LYS N N . . 1 1 6 6 LYS CA C . . 1 1 6 6 LYS C C . . 1 1 7 7 ALA N N . -120.0 120.0 . . . A . 6 LYS N . . A . 6 LYS CA . . A . 6 LYS C . . A . 7 ALA N . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . . . . 6 LYS . . . c19471_2md4 1 12 PHI . 1 1 6 6 LYS C C . . 1 1 7 7 ALA N N . . 1 1 7 7 ALA CA C . . 1 1 7 7 ALA C C . -120.0 -30.0 . . . A . 6 LYS C . . A . 7 ALA N . . A . 7 ALA CA . . A . 7 ALA C . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . c19471_2md4 1 13 PSI . 1 1 7 7 ALA N N . . 1 1 7 7 ALA CA C . . 1 1 7 7 ALA C C . . 1 1 8 8 GLN N N . -120.0 120.0 . . . A . 7 ALA N . . A . 7 ALA CA . . A . 7 ALA C . . A . 8 GLN N . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . . . . 7 ALA . . . c19471_2md4 1 14 PHI . 1 1 7 7 ALA C C . . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN C C . -120.0 -30.0 . . . A . 7 ALA C . . A . 8 GLN N . . A . 8 GLN CA . . A . 8 GLN C . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . c19471_2md4 1 15 PSI . 1 1 8 8 GLN N N . . 1 1 8 8 GLN CA C . . 1 1 8 8 GLN C C . . 1 1 9 9 GLU N N . -120.0 120.0 . . . A . 8 GLN N . . A . 8 GLN CA . . A . 8 GLN C . . A . 9 GLU N . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . . . . 8 GLN . . . c19471_2md4 1 16 PHI . 1 1 8 8 GLN C C . . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU C C . -120.0 -30.0 . . . A . 8 GLN C . . A . 9 GLU N . . A . 9 GLU CA . . A . 9 GLU C . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . c19471_2md4 1 17 PSI . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU C C . . 1 1 10 10 LYS N N . -120.0 120.0 . . . A . 9 GLU N . . A . 9 GLU CA . . A . 9 GLU C . . A . 10 LYS N . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . . . . 9 GLU . . . c19471_2md4 1 18 PHI . 1 1 9 9 GLU C C . . 1 1 10 10 LYS N N . . 1 1 10 10 LYS CA C . . 1 1 10 10 LYS C C . -120.0 -30.0 . . . A . 9 GLU C . . A . 10 LYS N . . A . 10 LYS CA . . A . 10 LYS C . . . 10 LYS . . . . . . 10 LYS . . . . . . 10 LYS . . . . . . 10 LYS . . . c19471_2md4 1 19 PSI . 1 1 10 10 LYS N N . . 1 1 10 10 LYS CA C . . 1 1 10 10 LYS C C . . 1 1 11 11 PHE N N . -120.0 120.0 . . . A . 10 LYS N . . A . 10 LYS CA . . A . 10 LYS C . . A . 11 PHE N . . . 10 LYS . . . . . . 10 LYS . . . . . . 10 LYS . . . . . . 10 LYS . . . c19471_2md4 1 20 PHI . 1 1 10 10 LYS C C . . 1 1 11 11 PHE N N . . 1 1 11 11 PHE CA C . . 1 1 11 11 PHE C C . -120.0 -30.0 . . . A . 10 LYS C . . A . 11 PHE N . . A . 11 PHE CA . . A . 11 PHE C . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . c19471_2md4 1 21 PSI . 1 1 11 11 PHE N N . . 1 1 11 11 PHE CA C . . 1 1 11 11 PHE C C . . 1 1 12 12 GLY N N . -120.0 120.0 . . . A . 11 PHE N . . A . 11 PHE CA . . A . 11 PHE C . . A . 12 GLY N . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . . . . 11 PHE . . . c19471_2md4 1 22 PHI . 1 1 11 11 PHE C C . . 1 1 12 12 GLY N N . . 1 1 12 12 GLY CA C . . 1 1 12 12 GLY C C . -120.0 -30.0 . . . A . 11 PHE C . . A . 12 GLY N . . A . 12 GLY CA . . A . 12 GLY C . . . 12 GLY . . . . . . 12 GLY . . . . . . 12 GLY . . . . . . 12 GLY . . . c19471_2md4 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 'Torsion angle constraints' 1 1 1 28 c19471_2md4 1 2 'generated from HA secondary chemical shifts' 2 1 2 48 c19471_2md4 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 c19471_2md4 _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 ANTIMICROBIAL PROTEIN 29-AUG-13 2MD4 *TITLE FRAGMENT BASED APPROACH AND BINDING BEHAVIOR OF LFAMPINB WITH *TITLE 2 LIPOPOLYSACCHARIDE: BIOPHYSICAL ASPECTS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: LACTOTRANSFERRIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: LACTOFERRIN, LACTOFERRICIN-B, LFCIN-B; *COMPND 5 EC: 3.4.21.-; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: BOS TAURUS; *SOURCE 4 ORGANISM_COMMON: BOVINE; *SOURCE 5 ORGANISM_TAXID: 9913; *SOURCE 6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. *KEYWDS ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR A.BHUNIA, S.CHATTERJEE, A.GHOSH, J.JANA *REVDAT 1 25-SEP-13 2MD4 0' save_