data_c30152_5l34 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c30152_5l34 _Entry.Title ; Calculated solution structure of [D-Trp3]-Contryphan-Vc2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-08-03 _Entry.Accession_date 2016-08-03 _Entry.Last_release_date 2016-11-11 _Entry.Original_release_date 2016-11-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 S. Drane S. B. . . c30152_5l34 2 S. Chhabra S. . . . c30152_5l34 3 C. MacRaild C. A. . . c30152_5l34 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Conus peptide' . c30152_5l34 'peptide toxin' . c30152_5l34 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c30152_5l34 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 26 c30152_5l34 '15N chemical shifts' 7 c30152_5l34 '1H chemical shifts' 48 c30152_5l34 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 . . 2017-03-02 . original BMRB . c30152_5l34 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5L34 'BMRB Entry Tracking System' c30152_5l34 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c30152_5l34 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28216409 _Citation.Full_citation . _Citation.Title ; Structure and activity of contryphan-Vc2: Importance of the D-amino acid residue ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Toxicon _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Drane S. B. . . c30152_5l34 1 2 S. Robinson S. D. . . c30152_5l34 1 3 C. MacRaild C. A. . . c30152_5l34 1 4 S. Chhabra S. . . . c30152_5l34 1 5 B. Chittoor B. . . . c30152_5l34 1 6 R. Morales R. A.V. . . c30152_5l34 1 7 E. Leung E. W.W. . . c30152_5l34 1 8 A. Belgi A. . . . c30152_5l34 1 9 S. Espino S. S. . . c30152_5l34 1 10 B. Olivera B. M. . . c30152_5l34 1 11 A. Robinson A. J. . . c30152_5l34 1 12 D. Chalmers D. K. . . c30152_5l34 1 13 R. Norton R. S. . . c30152_5l34 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c30152_5l34 _Assembly.ID 1 _Assembly.Name [D-Trp3]-Contryphan-Vc2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . c30152_5l34 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 1 1 SG . 1 . 1 CYS 7 7 SG . . . . . . . . . . c30152_5l34 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c30152_5l34 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name [D-Trp3]-Contryphan-Vc2 _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 ; CRXTPVCX ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 863.062 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CYS . c30152_5l34 1 2 2 ARG . c30152_5l34 1 3 3 DTR . c30152_5l34 1 4 4 THR . c30152_5l34 1 5 5 PRO . c30152_5l34 1 6 6 VAL . c30152_5l34 1 7 7 CYS . c30152_5l34 1 8 8 NH2 . c30152_5l34 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 . CYS 1 1 c30152_5l34 1 . ARG 2 2 c30152_5l34 1 . DTR 3 3 c30152_5l34 1 . THR 4 4 c30152_5l34 1 . PRO 5 5 c30152_5l34 1 . VAL 6 6 c30152_5l34 1 . CYS 7 7 c30152_5l34 1 . NH2 8 8 c30152_5l34 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 c30152_5l34 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 319920 organism . 'Conus victoriae' gastropods . . Eukaryota Metazoa Conus victoriae . . . . . . . . . . . . . c30152_5l34 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 c30152_5l34 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c30152_5l34 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_DTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DTR _Chem_comp.Entry_ID c30152_5l34 _Chem_comp.ID DTR _Chem_comp.Provenance PDB _Chem_comp.Name D-TRYPTOPHAN _Chem_comp.Type 'D-PEPTIDE LINKING' _Chem_comp.BMRB_code DTR _Chem_comp.PDB_code DTR _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code W _Chem_comp.Three_letter_code DTR _Chem_comp.Number_atoms_all 27 _Chem_comp.Number_atoms_nh 15 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C11 H12 N2 O2' _Chem_comp.Formula_weight 204.225 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag yes _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1 InChI InChI 1.03 c30152_5l34 DTR N[C@H](Cc1c[nH]c2ccccc12)C(O)=O SMILES_CANONICAL CACTVS 3.341 c30152_5l34 DTR N[CH](Cc1c[nH]c2ccccc12)C(O)=O SMILES CACTVS 3.341 c30152_5l34 DTR O=C(O)C(N)Cc2c1ccccc1nc2 SMILES ACDLabs 10.04 c30152_5l34 DTR QIVBCDIJIAJPQS-SECBINFHSA-N InChIKey InChI 1.03 c30152_5l34 DTR c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 c30152_5l34 DTR c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30152_5l34 DTR stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30152_5l34 DTR D-tryptophan 'SYSTEMATIC NAME' ACDLabs 10.04 c30152_5l34 DTR stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 25.884 . -1.142 . 31.084 . -3.573 2.693 6.696 1 . c30152_5l34 DTR CA CA CA CA . C . . R 0 . . . 1 no no . . . . 26.759 . -0.275 . 30.317 . -3.624 1.467 5.940 2 . c30152_5l34 DTR CB CB CB CB . C . . N 0 . . . 1 no no . . . . 27.586 . 0.645 . 31.239 . -4.233 1.707 4.538 3 . c30152_5l34 DTR CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 26.725 . 1.588 . 32.059 . -3.859 0.690 3.536 4 . c30152_5l34 DTR CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . 26.177 . 1.335 . 33.256 . -4.547 -0.472 3.274 5 . c30152_5l34 DTR NE1 NE1 NE1 NE1 . N . . N 0 . . . 1 yes no . . . . 25.402 . 2.400 . 33.668 . -3.882 -1.142 2.282 6 . c30152_5l34 DTR CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . 25.459 . 3.371 . 32.706 . -2.768 -0.432 1.894 7 . c30152_5l34 DTR CZ2 CZ2 CZ2 CZ2 . C . . N 0 . . . 1 yes no . . . . 24.842 . 4.628 . 32.664 . -1.802 -0.724 0.925 8 . c30152_5l34 DTR CH2 CH2 CH2 CH2 . C . . N 0 . . . 1 yes no . . . . 25.090 . 5.406 . 31.550 . -0.767 0.197 0.745 9 . c30152_5l34 DTR CZ3 CZ3 CZ3 CZ3 . C . . N 0 . . . 1 yes no . . . . 25.904 . 4.977 . 30.525 . -0.704 1.364 1.504 10 . c30152_5l34 DTR CE3 CE3 CE3 CE3 . C . . N 0 . . . 1 yes no . . . . 26.519 . 3.714 . 30.561 . -1.677 1.644 2.470 11 . c30152_5l34 DTR CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 26.285 . 2.900 . 31.676 . -2.730 0.729 2.669 12 . c30152_5l34 DTR C C C C . C . . N 0 . . . 1 no no . . . . 25.913 . 0.577 . 29.346 . -4.393 0.392 6.694 13 . c30152_5l34 DTR O O O O . O . . N 0 . . . 1 no no . . . . 26.347 . 0.870 . 28.231 . -5.360 0.640 7.407 14 . c30152_5l34 DTR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . . . . . . . -3.933 -0.869 6.514 15 . c30152_5l34 DTR H H H H . H . . N 0 . . . 1 no no . . . . 25.005 . -0.686 . 31.227 . -4.431 3.093 7.035 16 . c30152_5l34 DTR HN2 HN2 HN2 HN2 . H . . N 0 . . . 1 no no . . . . 26.304 . -1.341 . 31.969 . -2.722 3.230 6.698 17 . c30152_5l34 DTR HA HA HA HA . H . . N 0 . . . 1 no no . . . . 27.461 . -0.903 . 29.749 . -2.588 1.119 5.857 18 . c30152_5l34 DTR HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 28.235 . 1.260 . 30.598 . -5.338 1.752 4.630 19 . c30152_5l34 DTR HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 28.163 . 0.014 . 31.931 . -3.955 2.728 4.202 20 . c30152_5l34 DTR HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . 26.322 . 0.425 . 33.819 . -5.450 -0.884 3.703 21 . c30152_5l34 DTR HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 24.887 . 2.453 . 34.523 . -4.166 -2.030 1.891 22 . c30152_5l34 DTR HZ2 HZ2 HZ2 HZ2 . H . . N 0 . . . 1 no no . . . . 24.203 . 4.972 . 33.464 . -1.851 -1.632 0.332 23 . c30152_5l34 DTR HH2 HH2 HH2 HH2 . H . . N 0 . . . 1 no no . . . . 24.631 . 6.381 . 31.480 . -0.000 -0.000 0.000 24 . c30152_5l34 DTR HZ3 HZ3 HZ3 HZ3 . H . . N 0 . . . 1 no no . . . . 26.073 . 5.624 . 29.677 . 0.110 2.066 1.346 25 . c30152_5l34 DTR HE3 HE3 HE3 HE3 . H . . N 0 . . . 1 no no . . . . 27.153 . 3.381 . 29.753 . -1.614 2.557 3.054 26 . c30152_5l34 DTR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . -0.520 . 0.524 . -0.597 . -4.432 -1.562 6.995 27 . c30152_5l34 DTR stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . c30152_5l34 DTR 2 . SING N H no N 2 . c30152_5l34 DTR 3 . SING N HN2 no N 3 . c30152_5l34 DTR 4 . SING CA CB no N 4 . c30152_5l34 DTR 5 . SING CA C no N 5 . c30152_5l34 DTR 6 . SING CA HA no N 6 . c30152_5l34 DTR 7 . SING CB CG no N 7 . c30152_5l34 DTR 8 . SING CB HB2 no N 8 . c30152_5l34 DTR 9 . SING CB HB3 no N 9 . c30152_5l34 DTR 10 . DOUB CG CD1 yes N 10 . c30152_5l34 DTR 11 . SING CG CD2 yes N 11 . c30152_5l34 DTR 12 . SING CD1 NE1 yes N 12 . c30152_5l34 DTR 13 . SING CD1 HD1 no N 13 . c30152_5l34 DTR 14 . SING NE1 CE2 yes N 14 . c30152_5l34 DTR 15 . SING NE1 HE1 no N 15 . c30152_5l34 DTR 16 . DOUB CE2 CZ2 yes N 16 . c30152_5l34 DTR 17 . SING CE2 CD2 yes N 17 . c30152_5l34 DTR 18 . SING CZ2 CH2 yes N 18 . c30152_5l34 DTR 19 . SING CZ2 HZ2 no N 19 . c30152_5l34 DTR 20 . DOUB CH2 CZ3 yes N 20 . c30152_5l34 DTR 21 . SING CH2 HH2 no N 21 . c30152_5l34 DTR 22 . SING CZ3 CE3 yes N 22 . c30152_5l34 DTR 23 . SING CZ3 HZ3 no N 23 . c30152_5l34 DTR 24 . DOUB CE3 CD2 yes N 24 . c30152_5l34 DTR 25 . SING CE3 HE3 no N 25 . c30152_5l34 DTR 26 . DOUB C O no N 26 . c30152_5l34 DTR 27 . SING C OXT no N 27 . c30152_5l34 DTR 28 . SING OXT HXT no N 28 . c30152_5l34 DTR stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID c30152_5l34 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InCHi_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b c30152_5l34 NH2 N SMILES ACDLabs 10.04 c30152_5l34 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b c30152_5l34 NH2 [NH2] SMILES CACTVS 3.341 c30152_5l34 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 c30152_5l34 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 c30152_5l34 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 c30152_5l34 NH2 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 c30152_5l34 NH2 l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 c30152_5l34 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . c30152_5l34 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . c30152_5l34 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . c30152_5l34 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 no N 1 . c30152_5l34 NH2 2 . SING N HN2 no N 2 . c30152_5l34 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c30152_5l34 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.0 M [D-Trp3]-Contryphan-Vc2, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 [D-Trp3]-Contryphan-Vc2 'natural abundance' 1 $assembly 1 $entity_1 . . 2.0 . . M . . . . c30152_5l34 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . c30152_5l34 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . c30152_5l34 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID c30152_5l34 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '2.0 M [D-Trp3]-Contryphan-Vc2, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 [D-Trp3]-Contryphan-Vc2 'natural abundance' 1 $assembly 1 $entity_1 . . 2.0 . . M . . . . c30152_5l34 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . c30152_5l34 2 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 c30152_5l34 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M c30152_5l34 1 pH 4.0 . pH c30152_5l34 1 pressure 1 . atm c30152_5l34 1 temperature 278 . K c30152_5l34 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID c30152_5l34 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M c30152_5l34 2 pH 4.0 . pH c30152_5l34 2 pressure 1 . atm c30152_5l34 2 temperature 283 . K c30152_5l34 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID c30152_5l34 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M c30152_5l34 3 pH 4.1 . pH c30152_5l34 3 pressure 1 . atm c30152_5l34 3 temperature 283 . K c30152_5l34 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c30152_5l34 _Software.ID 1 _Software.Name Analysis _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . c30152_5l34 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c30152_5l34 1 'peak picking' c30152_5l34 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c30152_5l34 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c30152_5l34 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' c30152_5l34 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID c30152_5l34 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . c30152_5l34 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection c30152_5l34 3 processing c30152_5l34 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID c30152_5l34 _Software.ID 4 _Software.Name 'X-PLOR NIH' _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . c30152_5l34 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c30152_5l34 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c30152_5l34 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c30152_5l34 _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 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . c30152_5l34 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 c30152_5l34 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30152_5l34 1 2 '2D 1H-1H ROESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30152_5l34 1 3 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30152_5l34 1 4 '2D 1H-15N SOFAST-HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30152_5l34 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c30152_5l34 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c30152_5l34 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 dioxane protons . . . . ppm 3.75 internal indirect 0.25144953 . . . . . c30152_5l34 1 H 1 dioxane protons . . . . ppm 3.75 internal direct 1 . . . . . c30152_5l34 1 N 15 dioxane protons . . . . ppm 3.75 internal indirect 0.10132912 . . . . . c30152_5l34 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c30152_5l34 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . c30152_5l34 1 2 '2D 1H-1H ROESY' . . . c30152_5l34 1 3 '2D DQF-COSY' . . . c30152_5l34 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . c30152_5l34 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 CYS HA H 1 4.332 0.000 . 1 . . . A 1 CYS HA . c30152_5l34 1 2 . 1 1 1 1 CYS HB2 H 1 3.220 0.013 . 2 . . . A 1 CYS HB2 . c30152_5l34 1 3 . 1 1 1 1 CYS HB3 H 1 3.267 0.001 . 2 . . . A 1 CYS HB3 . c30152_5l34 1 4 . 1 1 1 1 CYS CA C 13 54.766 0.000 . 1 . . . A 1 CYS CA . c30152_5l34 1 5 . 1 1 1 1 CYS CB C 13 40.867 0.000 . 1 . . . A 1 CYS CB . c30152_5l34 1 6 . 1 1 2 2 ARG H H 1 8.877 0.002 . 1 . . . A 2 ARG H . c30152_5l34 1 7 . 1 1 2 2 ARG HA H 1 4.519 0.005 . 1 . . . A 2 ARG HA . c30152_5l34 1 8 . 1 1 2 2 ARG HB2 H 1 1.339 0.005 . 2 . . . A 2 ARG HB2 . c30152_5l34 1 9 . 1 1 2 2 ARG HB3 H 1 1.425 0.002 . 2 . . . A 2 ARG HB3 . c30152_5l34 1 10 . 1 1 2 2 ARG HG3 H 1 0.993 0.005 . 1 . . . A 2 ARG HG3 . c30152_5l34 1 11 . 1 1 2 2 ARG HD2 H 1 2.796 0.002 . 2 . . . A 2 ARG HD2 . c30152_5l34 1 12 . 1 1 2 2 ARG HD3 H 1 2.882 0.003 . 2 . . . A 2 ARG HD3 . c30152_5l34 1 13 . 1 1 2 2 ARG HE H 1 6.896 0.004 . 1 . . . A 2 ARG HE . c30152_5l34 1 14 . 1 1 2 2 ARG CA C 13 55.454 0.000 . 1 . . . A 2 ARG CA . c30152_5l34 1 15 . 1 1 2 2 ARG CB C 13 31.537 0.021 . 1 . . . A 2 ARG CB . c30152_5l34 1 16 . 1 1 2 2 ARG CG C 13 26.010 0.000 . 1 . . . A 2 ARG CG . c30152_5l34 1 17 . 1 1 2 2 ARG CD C 13 43.264 0.005 . 1 . . . A 2 ARG CD . c30152_5l34 1 18 . 1 1 2 2 ARG N N 15 122.434 0.000 . 1 . . . A 2 ARG N . c30152_5l34 1 19 . 1 1 3 3 DTR H H 1 8.615 0.003 . 1 . . . A 3 DTR H . c30152_5l34 1 20 . 1 1 3 3 DTR N N 15 123.691 0.000 . 1 . . . A 3 DTR N . c30152_5l34 1 21 . 1 1 3 3 DTR CA C 13 57.078 0.000 . 1 . . . A 3 DTR CA . c30152_5l34 1 22 . 1 1 3 3 DTR CB C 13 29.230 0.022 . 1 . . . A 3 DTR CB . c30152_5l34 1 23 . 1 1 3 3 DTR CD1 C 13 127.386 0.000 . 1 . . . A 3 DTR CD1 . c30152_5l34 1 24 . 1 1 3 3 DTR CE3 C 13 120.892 0.000 . 1 . . . A 3 DTR CE3 . c30152_5l34 1 25 . 1 1 3 3 DTR CH2 C 13 124.669 0.000 . 1 . . . A 3 DTR CH2 . c30152_5l34 1 26 . 1 1 3 3 DTR CZ2 C 13 114.524 0.000 . 1 . . . A 3 DTR CZ2 . c30152_5l34 1 27 . 1 1 3 3 DTR CZ3 C 13 121.858 0.000 . 1 . . . A 3 DTR CZ3 . c30152_5l34 1 28 . 1 1 3 3 DTR HA H 1 4.821 0.005 . 1 . . . A 3 DTR HA . c30152_5l34 1 29 . 1 1 3 3 DTR HB2 H 1 3.215 0.002 . 2 . . . A 3 DTR HB2 . c30152_5l34 1 30 . 1 1 3 3 DTR HB3 H 1 3.411 0.006 . 2 . . . A 3 DTR HB3 . c30152_5l34 1 31 . 1 1 3 3 DTR HD1 H 1 7.331 0.003 . 1 . . . A 3 DTR HD1 . c30152_5l34 1 32 . 1 1 3 3 DTR HE1 H 1 10.214 0.004 . 1 . . . A 3 DTR HE1 . c30152_5l34 1 33 . 1 1 3 3 DTR HE3 H 1 7.613 0.004 . 1 . . . A 3 DTR HE3 . c30152_5l34 1 34 . 1 1 3 3 DTR HH2 H 1 7.227 0.003 . 1 . . . A 3 DTR HH2 . c30152_5l34 1 35 . 1 1 3 3 DTR HZ2 H 1 7.469 0.004 . 1 . . . A 3 DTR HZ2 . c30152_5l34 1 36 . 1 1 3 3 DTR HZ3 H 1 7.144 0.006 . 1 . . . A 3 DTR HZ3 . c30152_5l34 1 37 . 1 1 3 3 DTR NE1 N 15 129.402 0.000 . 1 . . . A 3 DTR NE1 . c30152_5l34 1 38 . 1 1 4 4 THR H H 1 7.221 0.006 . 1 . . . A 4 THR H . c30152_5l34 1 39 . 1 1 4 4 THR HA H 1 4.668 0.007 . 1 . . . A 4 THR HA . c30152_5l34 1 40 . 1 1 4 4 THR HB H 1 4.399 0.005 . 1 . . . A 4 THR HB . c30152_5l34 1 41 . 1 1 4 4 THR HG21 H 1 1.133 0.005 . 1 . . . A 4 THR HG21 . c30152_5l34 1 42 . 1 1 4 4 THR HG22 H 1 1.133 0.005 . 1 . . . A 4 THR HG22 . c30152_5l34 1 43 . 1 1 4 4 THR HG23 H 1 1.133 0.005 . 1 . . . A 4 THR HG23 . c30152_5l34 1 44 . 1 1 4 4 THR CA C 13 58.653 0.000 . 1 . . . A 4 THR CA . c30152_5l34 1 45 . 1 1 4 4 THR CB C 13 69.530 0.000 . 1 . . . A 4 THR CB . c30152_5l34 1 46 . 1 1 4 4 THR CG2 C 13 21.323 0.000 . 1 . . . A 4 THR CG2 . c30152_5l34 1 47 . 1 1 4 4 THR N N 15 113.624 0.000 . 1 . . . A 4 THR N . c30152_5l34 1 48 . 1 1 5 5 PRO HA H 1 4.233 0.002 . 1 . . . A 5 PRO HA . c30152_5l34 1 49 . 1 1 5 5 PRO HB2 H 1 2.383 0.004 . 2 . . . A 5 PRO HB2 . c30152_5l34 1 50 . 1 1 5 5 PRO HB3 H 1 1.985 0.004 . 2 . . . A 5 PRO HB3 . c30152_5l34 1 51 . 1 1 5 5 PRO HG3 H 1 2.064 0.002 . 1 . . . A 5 PRO HG3 . c30152_5l34 1 52 . 1 1 5 5 PRO HD2 H 1 3.849 0.005 . 2 . . . A 5 PRO HD2 . c30152_5l34 1 53 . 1 1 5 5 PRO HD3 H 1 3.716 0.004 . 2 . . . A 5 PRO HD3 . c30152_5l34 1 54 . 1 1 5 5 PRO CA C 13 64.729 0.000 . 1 . . . A 5 PRO CA . c30152_5l34 1 55 . 1 1 5 5 PRO CB C 13 32.033 0.008 . 1 . . . A 5 PRO CB . c30152_5l34 1 56 . 1 1 5 5 PRO CG C 13 27.425 0.000 . 1 . . . A 5 PRO CG . c30152_5l34 1 57 . 1 1 5 5 PRO CD C 13 51.056 0.021 . 1 . . . A 5 PRO CD . c30152_5l34 1 58 . 1 1 6 6 VAL H H 1 7.447 0.003 . 1 . . . A 6 VAL H . c30152_5l34 1 59 . 1 1 6 6 VAL HA H 1 4.184 0.002 . 1 . . . A 6 VAL HA . c30152_5l34 1 60 . 1 1 6 6 VAL HB H 1 2.074 0.003 . 1 . . . A 6 VAL HB . c30152_5l34 1 61 . 1 1 6 6 VAL HG11 H 1 0.895 0.005 . 2 . . . A 6 VAL HG11 . c30152_5l34 1 62 . 1 1 6 6 VAL HG12 H 1 0.895 0.005 . 2 . . . A 6 VAL HG12 . c30152_5l34 1 63 . 1 1 6 6 VAL HG13 H 1 0.895 0.005 . 2 . . . A 6 VAL HG13 . c30152_5l34 1 64 . 1 1 6 6 VAL HG21 H 1 0.889 0.000 . 2 . . . A 6 VAL HG21 . c30152_5l34 1 65 . 1 1 6 6 VAL HG22 H 1 0.889 0.000 . 2 . . . A 6 VAL HG22 . c30152_5l34 1 66 . 1 1 6 6 VAL HG23 H 1 0.889 0.000 . 2 . . . A 6 VAL HG23 . c30152_5l34 1 67 . 1 1 6 6 VAL CA C 13 61.829 0.000 . 1 . . . A 6 VAL CA . c30152_5l34 1 68 . 1 1 6 6 VAL CB C 13 32.677 0.000 . 1 . . . A 6 VAL CB . c30152_5l34 1 69 . 1 1 6 6 VAL CG1 C 13 21.252 0.000 . 2 . . . A 6 VAL CG1 . c30152_5l34 1 70 . 1 1 6 6 VAL CG2 C 13 20.189 0.000 . 2 . . . A 6 VAL CG2 . c30152_5l34 1 71 . 1 1 6 6 VAL N N 15 114.598 0.000 . 1 . . . A 6 VAL N . c30152_5l34 1 72 . 1 1 7 7 CYS H H 1 8.271 0.004 . 1 . . . A 7 CYS H . c30152_5l34 1 73 . 1 1 7 7 CYS HA H 1 4.572 0.003 . 1 . . . A 7 CYS HA . c30152_5l34 1 74 . 1 1 7 7 CYS HB2 H 1 2.965 0.003 . 2 . . . A 7 CYS HB2 . c30152_5l34 1 75 . 1 1 7 7 CYS HB3 H 1 3.163 0.008 . 2 . . . A 7 CYS HB3 . c30152_5l34 1 76 . 1 1 7 7 CYS CA C 13 55.549 0.000 . 1 . . . A 7 CYS CA . c30152_5l34 1 77 . 1 1 7 7 CYS CB C 13 40.036 0.028 . 1 . . . A 7 CYS CB . c30152_5l34 1 78 . 1 1 7 7 CYS N N 15 121.460 0.000 . 1 . . . A 7 CYS N . c30152_5l34 1 79 . 1 1 8 8 NH2 N N 15 108.052 0.002 . 1 . . . A 8 NH2 N . c30152_5l34 1 80 . 1 1 8 8 NH2 HN1 H 1 7.411 0.001 . 1 . . . A 8 NH2 HN1 . c30152_5l34 1 81 . 1 1 8 8 NH2 HN2 H 1 7.535 0.004 . 1 . . . A 8 NH2 HN2 . c30152_5l34 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 c30152_5l34 _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 20 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 c30152_5l34 _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 . . . c30152_5l34 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 . . . . c30152_5l34 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 CYS C C 2.210 -2.412 -2.126 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 1 . 2 . 1 1 1 CYS CA C 2.066 -1.449 -0.953 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 1 . 3 . 1 1 1 CYS CB C 1.892 -0.020 -1.471 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 1 . 4 . 1 1 1 CYS H1 H 3.277 -2.406 0.444 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 1 . 5 . 1 1 1 CYS H2 H 3.300 -0.711 0.552 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 1 . 6 . 1 1 1 CYS H3 H 4.133 -1.495 -0.703 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 1 . 7 . 1 1 1 CYS HA H 1.202 -1.726 -0.367 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 1 . 8 . 1 1 1 CYS HB2 H 1.539 -0.048 -2.491 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 1 . 9 . 1 1 1 CYS HB3 H 1.172 0.499 -0.856 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 1 . 10 . 1 1 1 CYS N N 3.286 -1.520 -0.101 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 1 . 11 . 1 1 1 CYS O O 3.227 -2.410 -2.822 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 1 . 12 . 1 1 1 CYS SG S 3.481 0.844 -1.405 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 1 . 13 . 1 1 2 ARG C C 0.766 -3.549 -4.735 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 1 . 14 . 1 1 2 ARG CA C 1.214 -4.197 -3.431 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 1 . 15 . 1 1 2 ARG CB C 0.301 -5.373 -3.103 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 1 . 16 . 1 1 2 ARG CD C 1.762 -7.391 -2.822 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 1 . 17 . 1 1 2 ARG CG C 0.833 -6.639 -3.777 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 1 . 18 . 1 1 2 ARG CZ C 1.467 -8.741 -0.825 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 1 . 19 . 1 1 2 ARG H H 0.404 -3.192 -1.755 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 1 . 20 . 1 1 2 ARG HA H 2.219 -4.564 -3.552 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 1 . 21 . 1 1 2 ARG HB2 H 0.268 -5.516 -2.032 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 1 . 22 . 1 1 2 ARG HB3 H -0.695 -5.167 -3.467 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 1 . 23 . 1 1 2 ARG HD2 H 2.487 -7.948 -3.398 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 1 . 24 . 1 1 2 ARG HD3 H 2.279 -6.682 -2.191 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 1 . 25 . 1 1 2 ARG HE H 0.118 -8.623 -2.299 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 1 . 26 . 1 1 2 ARG HG2 H 0.003 -7.265 -4.040 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 1 . 27 . 1 1 2 ARG HG3 H 1.381 -6.382 -4.669 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 1 . 28 . 1 1 2 ARG HH11 H -0.131 -9.877 -0.422 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 1 . 29 . 1 1 2 ARG HH12 H 1.118 -9.890 0.778 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 1 . 30 . 1 1 2 ARG HH21 H 3.174 -7.703 -0.960 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 1 . 31 . 1 1 2 ARG HH22 H 2.989 -8.659 0.473 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 1 . 32 . 1 1 2 ARG N N 1.188 -3.233 -2.340 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 1 . 33 . 1 1 2 ARG NE N 0.996 -8.314 -1.992 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 1 . 34 . 1 1 2 ARG NH1 N 0.763 -9.568 -0.100 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 1 . 35 . 1 1 2 ARG NH2 N 2.635 -8.336 -0.404 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 1 . 36 . 1 1 2 ARG O O 0.785 -2.326 -4.872 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 1 . 37 . 1 1 3 DTR C C 1.068 -3.166 -7.690 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 1 . 38 . 1 1 3 DTR CA C -0.075 -3.891 -6.984 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 1 . 39 . 1 1 3 DTR CB C -0.542 -5.068 -7.844 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 1 . 40 . 1 1 3 DTR CD1 C -0.672 -7.239 -6.557 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 1 . 41 . 1 1 3 DTR CD2 C 1.379 -6.853 -7.391 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 1 . 42 . 1 1 3 DTR CE2 C 1.449 -8.085 -6.701 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 1 . 43 . 1 1 3 DTR CE3 C 2.546 -6.376 -8.013 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 1 . 44 . 1 1 3 DTR CG C 0.022 -6.337 -7.287 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 1 . 45 . 1 1 3 DTR CH2 C 3.784 -8.328 -7.252 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 1 . 46 . 1 1 3 DTR CZ2 C 2.636 -8.817 -6.630 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 1 . 47 . 1 1 3 DTR CZ3 C 3.739 -7.113 -7.942 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 1 . 48 . 1 1 3 DTR H H 0.377 -5.340 -5.518 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 1 . 49 . 1 1 3 DTR HA H -0.897 -3.213 -6.840 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 1 . 50 . 1 1 3 DTR HB2 H -0.195 -4.935 -8.858 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 1 . 51 . 1 1 3 DTR HB3 H -1.621 -5.116 -7.834 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 1 . 52 . 1 1 3 DTR HD1 H -1.714 -7.162 -6.288 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 1 . 53 . 1 1 3 DTR HE1 H -0.082 -9.064 -5.681 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 1 . 54 . 1 1 3 DTR HE3 H 2.524 -5.439 -8.549 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 1 . 55 . 1 1 3 DTR HH2 H 4.707 -8.887 -7.202 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 1 . 56 . 1 1 3 DTR HZ2 H 2.669 -9.753 -6.096 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 1 . 57 . 1 1 3 DTR HZ3 H 4.627 -6.741 -8.421 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 1 . 58 . 1 1 3 DTR N N 0.368 -4.379 -5.688 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 1 . 59 . 1 1 3 DTR NE1 N 0.174 -8.279 -6.210 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 1 . 60 . 1 1 3 DTR O O 0.912 -2.666 -8.804 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 1 . 61 . 1 1 4 THR C C 4.663 -3.028 -6.896 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 1 . 62 . 1 1 4 THR CA C 3.404 -2.479 -7.586 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 1 . 63 . 1 1 4 THR CB C 3.326 -0.965 -7.369 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 1 . 64 . 1 1 4 THR CG2 C 2.739 -0.665 -5.990 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 1 . 65 . 1 1 4 THR H H 2.281 -3.553 -6.149 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 1 . 66 . 1 1 4 THR HA H 3.438 -2.673 -8.643 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 1 . 67 . 1 1 4 THR HB H 2.697 -0.527 -8.128 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 1 . 68 . 1 1 4 THR HG1 H 4.579 0.514 -7.204 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 1 . 69 . 1 1 4 THR HG21 H 1.673 -0.515 -6.078 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 1 . 70 . 1 1 4 THR HG22 H 3.196 0.228 -5.591 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 1 . 71 . 1 1 4 THR HG23 H 2.932 -1.496 -5.328 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 1 . 72 . 1 1 4 THR N N 2.221 -3.127 -7.029 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 1 . 73 . 1 1 4 THR O O 4.834 -2.832 -5.693 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 1 . 74 . 1 1 4 THR OG1 O 4.631 -0.410 -7.460 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 1 . 75 . 1 1 5 PRO C C 7.852 -3.221 -6.770 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 1 . 76 . 1 1 5 PRO CA C 6.773 -4.278 -6.978 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 1 . 77 . 1 1 5 PRO CB C 7.229 -5.340 -7.976 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 1 . 78 . 1 1 5 PRO CD C 5.480 -4.023 -9.042 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 1 . 79 . 1 1 5 PRO CG C 6.723 -4.880 -9.304 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 1 . 80 . 1 1 5 PRO HA H 6.530 -4.751 -6.040 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 1 . 81 . 1 1 5 PRO HB2 H 8.308 -5.401 -7.984 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 1 . 82 . 1 1 5 PRO HB3 H 6.798 -6.299 -7.727 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 1 . 83 . 1 1 5 PRO HD2 H 5.518 -3.116 -9.628 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 1 . 84 . 1 1 5 PRO HD3 H 4.585 -4.581 -9.266 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 1 . 85 . 1 1 5 PRO HG2 H 7.482 -4.291 -9.802 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 1 . 86 . 1 1 5 PRO HG3 H 6.455 -5.730 -9.911 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 1 . 87 . 1 1 5 PRO N N 5.542 -3.713 -7.600 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 1 . 88 . 1 1 5 PRO O O 9.026 -3.544 -6.586 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 1 . 89 . 1 1 6 VAL C C 7.785 0.206 -5.692 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 1 . 90 . 1 1 6 VAL CA C 8.383 -0.856 -6.611 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 1 . 91 . 1 1 6 VAL CB C 8.728 -0.228 -7.962 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 1 . 92 . 1 1 6 VAL CG1 C 7.447 0.250 -8.648 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 1 . 93 . 1 1 6 VAL CG2 C 9.664 0.964 -7.745 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 1 . 94 . 1 1 6 VAL H H 6.497 -1.762 -6.948 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 1 . 95 . 1 1 6 VAL HA H 9.287 -1.238 -6.164 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 1 . 96 . 1 1 6 VAL HB H 9.218 -0.962 -8.586 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 1 . 97 . 1 1 6 VAL HG11 H 7.084 1.139 -8.153 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 1 . 98 . 1 1 6 VAL HG12 H 6.698 -0.525 -8.592 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 1 . 99 . 1 1 6 VAL HG13 H 7.655 0.475 -9.684 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 1 . 100 . 1 1 6 VAL HG21 H 10.225 0.820 -6.834 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 1 . 101 . 1 1 6 VAL HG22 H 9.081 1.870 -7.669 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 1 . 102 . 1 1 6 VAL HG23 H 10.345 1.044 -8.578 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 1 . 103 . 1 1 6 VAL N N 7.445 -1.956 -6.799 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 1 . 104 . 1 1 6 VAL O O 8.468 0.738 -4.817 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 1 . 105 . 1 1 7 CYS C C 6.734 2.703 -4.827 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 1 . 106 . 1 1 7 CYS CA C 5.824 1.506 -5.082 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 1 . 107 . 1 1 7 CYS CB C 5.399 0.892 -3.747 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 1 . 108 . 1 1 7 CYS H H 6.013 0.049 -6.610 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 1 . 109 . 1 1 7 CYS HA H 4.942 1.843 -5.606 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 1 . 110 . 1 1 7 CYS HB2 H 5.364 -0.184 -3.840 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 1 . 111 . 1 1 7 CYS HB3 H 6.112 1.164 -2.982 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 1 . 112 . 1 1 7 CYS N N 6.506 0.507 -5.898 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 1 . 113 . 1 1 7 CYS O O 6.620 3.367 -3.797 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 1 . 114 . 1 1 7 CYS SG S 3.760 1.512 -3.292 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 1 . 115 . 1 1 8 NH2 HN1 H 7.728 2.494 -6.533 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 1 . 116 . 1 1 8 NH2 HN2 H 8.227 3.790 -5.557 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 1 . 117 . 1 1 8 NH2 N N 7.638 3.022 -5.712 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 2 . 118 . 1 1 1 CYS C C 1.897 -1.855 -2.460 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 2 . 119 . 1 1 1 CYS CA C 1.585 -0.749 -1.459 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 2 . 120 . 1 1 1 CYS CB C 2.673 -0.694 -0.386 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 2 . 121 . 1 1 1 CYS H1 H -0.367 -1.471 -1.503 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 2 . 122 . 1 1 1 CYS H2 H -0.149 -0.125 -0.489 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 2 . 123 . 1 1 1 CYS H3 H 0.405 -1.657 -0.004 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 2 . 124 . 1 1 1 CYS HA H 1.542 0.199 -1.975 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 2 . 125 . 1 1 1 CYS HB2 H 2.218 -0.544 0.581 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 2 . 126 . 1 1 1 CYS HB3 H 3.224 -1.624 -0.384 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 2 . 127 . 1 1 1 CYS N N 0.269 -1.021 -0.815 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 2 . 128 . 1 1 1 CYS O O 2.853 -1.758 -3.229 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 2 . 129 . 1 1 1 CYS SG S 3.803 0.676 -0.741 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 2 . 130 . 1 1 2 ARG C C 0.740 -3.706 -4.734 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 2 . 131 . 1 1 2 ARG CA C 1.288 -4.028 -3.351 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 2 . 132 . 1 1 2 ARG CB C 0.595 -5.270 -2.801 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 2 . 133 . 1 1 2 ARG CD C 2.391 -6.924 -2.225 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 2 . 134 . 1 1 2 ARG CG C 1.342 -6.522 -3.265 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 2 . 135 . 1 1 2 ARG CZ C 2.385 -8.002 -0.049 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 2 . 136 . 1 1 2 ARG H H 0.343 -2.935 -1.807 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 2 . 137 . 1 1 2 ARG HA H 2.341 -4.230 -3.434 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 2 . 138 . 1 1 2 ARG HB2 H 0.588 -5.231 -1.721 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 2 . 139 . 1 1 2 ARG HB3 H -0.420 -5.305 -3.166 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 2 . 140 . 1 1 2 ARG HD2 H 3.202 -7.438 -2.720 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 2 . 141 . 1 1 2 ARG HD3 H 2.775 -6.037 -1.742 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 2 . 142 . 1 1 2 ARG HE H 0.956 -8.264 -1.426 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 2 . 143 . 1 1 2 ARG HG2 H 0.636 -7.318 -3.391 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 2 . 144 . 1 1 2 ARG HG3 H 1.836 -6.331 -4.206 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 2 . 145 . 1 1 2 ARG HH11 H 0.975 -9.259 0.615 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 2 . 146 . 1 1 2 ARG HH12 H 2.276 -8.944 1.715 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 2 . 147 . 1 1 2 ARG HH21 H 3.928 -6.789 -0.443 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 2 . 148 . 1 1 2 ARG HH22 H 3.948 -7.546 1.115 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 2 . 149 . 1 1 2 ARG N N 1.088 -2.908 -2.443 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 2 . 150 . 1 1 2 ARG NE N 1.799 -7.807 -1.227 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 2 . 151 . 1 1 2 ARG NH1 N 1.836 -8.797 0.828 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 2 . 152 . 1 1 2 ARG NH2 N 3.507 -7.399 0.230 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 2 . 153 . 1 1 2 ARG O O 0.558 -2.542 -5.088 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 2 . 154 . 1 1 3 DTR C C 0.978 -3.817 -7.718 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 2 . 155 . 1 1 3 DTR CA C -0.035 -4.575 -6.862 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 2 . 156 . 1 1 3 DTR CB C -0.313 -5.943 -7.487 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 2 . 157 . 1 1 3 DTR CD1 C -0.082 -7.846 -5.840 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 2 . 158 . 1 1 3 DTR CD2 C 1.872 -7.302 -6.809 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 2 . 159 . 1 1 3 DTR CE2 C 2.144 -8.367 -5.920 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 2 . 160 . 1 1 3 DTR CE3 C 2.940 -6.768 -7.549 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 2 . 161 . 1 1 3 DTR CG C 0.451 -6.990 -6.741 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 2 . 162 . 1 1 3 DTR CH2 C 4.481 -8.340 -6.512 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 2 . 163 . 1 1 3 DTR CZ2 C 3.433 -8.884 -5.770 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 2 . 164 . 1 1 3 DTR CZ3 C 4.236 -7.287 -7.399 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 2 . 165 . 1 1 3 DTR H H 0.650 -5.648 -5.179 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 2 . 166 . 1 1 3 DTR HA H -0.954 -4.016 -6.815 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 2 . 167 . 1 1 3 DTR HB2 H -0.001 -5.938 -8.521 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 2 . 168 . 1 1 3 DTR HB3 H -1.370 -6.157 -7.430 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 2 . 169 . 1 1 3 DTR HD1 H -1.120 -7.883 -5.548 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 2 . 170 . 1 1 3 DTR HE1 H 0.799 -9.375 -4.688 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 2 . 171 . 1 1 3 DTR HE3 H 2.764 -5.955 -8.237 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 2 . 172 . 1 1 3 DTR HH2 H 5.482 -8.733 -6.404 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 2 . 173 . 1 1 3 DTR HZ2 H 3.620 -9.695 -5.085 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 2 . 174 . 1 1 3 DTR HZ3 H 5.048 -6.873 -7.969 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 2 . 175 . 1 1 3 DTR N N 0.484 -4.747 -5.515 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 2 . 176 . 1 1 3 DTR NE1 N 0.921 -8.666 -5.353 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 2 . 177 . 1 1 3 DTR O O 0.741 -3.556 -8.898 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 2 . 178 . 1 1 4 THR C C 4.510 -2.985 -7.082 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 2 . 179 . 1 1 4 THR CA C 3.173 -2.763 -7.807 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 2 . 180 . 1 1 4 THR CB C 2.859 -1.265 -7.845 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 2 . 181 . 1 1 4 THR CG2 C 2.253 -0.828 -6.510 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 2 . 182 . 1 1 4 THR H H 2.239 -3.725 -6.170 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 2 . 183 . 1 1 4 THR HA H 3.227 -3.127 -8.818 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 2 . 184 . 1 1 4 THR HB H 2.155 -1.066 -8.637 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 2 . 185 . 1 1 4 THR HG1 H 4.593 -1.047 -8.697 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 2 . 186 . 1 1 4 THR HG21 H 2.566 -1.508 -5.733 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 2 . 187 . 1 1 4 THR HG22 H 1.176 -0.834 -6.584 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 2 . 188 . 1 1 4 THR HG23 H 2.591 0.170 -6.272 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 2 . 189 . 1 1 4 THR N N 2.111 -3.480 -7.109 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 2 . 190 . 1 1 4 THR O O 4.659 -2.562 -5.935 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 2 . 191 . 1 1 4 THR OG1 O 4.058 -0.540 -8.082 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 2 . 192 . 1 1 5 PRO C C 7.697 -2.662 -7.048 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 2 . 193 . 1 1 5 PRO CA C 6.791 -3.891 -7.029 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 2 . 194 . 1 1 5 PRO CB C 7.396 -5.027 -7.850 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 2 . 195 . 1 1 5 PRO CD C 5.453 -4.197 -9.058 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 2 . 196 . 1 1 5 PRO CG C 6.812 -4.885 -9.217 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 2 . 197 . 1 1 5 PRO HA H 6.637 -4.223 -6.016 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 2 . 198 . 1 1 5 PRO HB2 H 8.472 -4.927 -7.886 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 2 . 199 . 1 1 5 PRO HB3 H 7.120 -5.983 -7.426 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 2 . 200 . 1 1 5 PRO HD2 H 5.342 -3.407 -9.790 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 2 . 201 . 1 1 5 PRO HD3 H 4.654 -4.914 -9.151 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 2 . 202 . 1 1 5 PRO HG2 H 7.465 -4.282 -9.834 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 2 . 203 . 1 1 5 PRO HG3 H 6.675 -5.858 -9.663 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 2 . 204 . 1 1 5 PRO N N 5.481 -3.636 -7.692 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 2 . 205 . 1 1 5 PRO O O 8.905 -2.767 -6.836 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 2 . 206 . 1 1 6 VAL C C 7.943 0.373 -5.958 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 2 . 207 . 1 1 6 VAL CA C 7.869 -0.258 -7.345 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 2 . 208 . 1 1 6 VAL CB C 7.219 0.722 -8.324 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 2 . 209 . 1 1 6 VAL CG1 C 6.122 1.513 -7.609 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 2 . 210 . 1 1 6 VAL CG2 C 8.280 1.689 -8.853 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 2 . 211 . 1 1 6 VAL H H 6.139 -1.478 -7.464 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 2 . 212 . 1 1 6 VAL HA H 8.871 -0.475 -7.685 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 2 . 213 . 1 1 6 VAL HB H 6.787 0.173 -9.148 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 2 . 214 . 1 1 6 VAL HG11 H 5.578 0.857 -6.946 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 2 . 215 . 1 1 6 VAL HG12 H 5.444 1.930 -8.339 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 2 . 216 . 1 1 6 VAL HG13 H 6.568 2.314 -7.037 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 2 . 217 . 1 1 6 VAL HG21 H 8.938 1.167 -9.532 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 2 . 218 . 1 1 6 VAL HG22 H 8.854 2.082 -8.027 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 2 . 219 . 1 1 6 VAL HG23 H 7.798 2.503 -9.376 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 2 . 220 . 1 1 6 VAL N N 7.105 -1.500 -7.303 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 2 . 221 . 1 1 6 VAL O O 8.877 1.115 -5.653 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 2 . 222 . 1 1 7 CYS C C 7.763 -0.229 -2.829 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 2 . 223 . 1 1 7 CYS CA C 6.916 0.619 -3.771 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 2 . 224 . 1 1 7 CYS CB C 5.473 0.662 -3.264 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 2 . 225 . 1 1 7 CYS H H 6.235 -0.522 -5.423 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 2 . 226 . 1 1 7 CYS HA H 7.309 1.624 -3.787 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 2 . 227 . 1 1 7 CYS HB2 H 5.167 1.690 -3.137 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 2 . 228 . 1 1 7 CYS HB3 H 4.825 0.179 -3.981 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 2 . 229 . 1 1 7 CYS N N 6.953 0.075 -5.124 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 2 . 230 . 1 1 7 CYS O O 8.376 0.293 -1.897 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 2 . 231 . 1 1 7 CYS SG S 5.366 -0.200 -1.676 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 2 . 232 . 1 1 8 NH2 HN1 H 7.348 -1.935 -3.758 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 2 . 233 . 1 1 8 NH2 HN2 H 8.377 -2.072 -2.415 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 2 . 234 . 1 1 8 NH2 N N 7.835 -1.519 -3.016 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 3 . 235 . 1 1 1 CYS C C 2.075 -2.060 -2.275 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 3 . 236 . 1 1 1 CYS CA C 1.828 -1.034 -1.175 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 3 . 237 . 1 1 1 CYS CB C 1.428 0.308 -1.793 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 3 . 238 . 1 1 1 CYS H1 H 3.101 0.105 0.016 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 3 . 239 . 1 1 1 CYS H2 H 3.901 -1.009 -0.985 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 3 . 240 . 1 1 1 CYS H3 H 3.085 -1.546 0.405 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 3 . 241 . 1 1 1 CYS HA H 1.034 -1.383 -0.531 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 3 . 242 . 1 1 1 CYS HB2 H 1.100 0.152 -2.810 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 3 . 243 . 1 1 1 CYS HB3 H 0.624 0.743 -1.218 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 3 . 244 . 1 1 1 CYS N N 3.072 -0.857 -0.374 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 3 . 245 . 1 1 1 CYS O O 3.056 -1.969 -3.013 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 3 . 246 . 1 1 1 CYS SG S 2.852 1.425 -1.783 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 3 . 247 . 1 1 2 ARG C C 0.825 -3.583 -4.741 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 3 . 248 . 1 1 2 ARG CA C 1.312 -4.078 -3.387 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 3 . 249 . 1 1 2 ARG CB C 0.506 -5.303 -2.971 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 3 . 250 . 1 1 2 ARG CD C 2.175 -7.128 -2.562 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 3 . 251 . 1 1 2 ARG CG C 1.157 -6.560 -3.552 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 3 . 252 . 1 1 2 ARG CZ C 2.056 -8.353 -0.468 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 3 . 253 . 1 1 2 ARG H H 0.421 -3.062 -1.760 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 3 . 254 . 1 1 2 ARG HA H 2.346 -4.361 -3.473 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 3 . 255 . 1 1 2 ARG HB2 H 0.483 -5.371 -1.893 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 3 . 256 . 1 1 2 ARG HB3 H -0.501 -5.216 -3.348 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 3 . 257 . 1 1 2 ARG HD2 H 2.955 -7.637 -3.109 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 3 . 258 . 1 1 2 ARG HD3 H 2.612 -6.319 -1.992 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 3 . 259 . 1 1 2 ARG HE H 0.693 -8.503 -1.926 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 3 . 260 . 1 1 2 ARG HG2 H 0.392 -7.287 -3.740 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 3 . 261 . 1 1 2 ARG HG3 H 1.659 -6.321 -4.477 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 3 . 262 . 1 1 2 ARG HH11 H 0.607 -9.637 0.040 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 3 . 263 . 1 1 2 ARG HH12 H 1.855 -9.414 1.218 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 3 . 264 . 1 1 2 ARG HH21 H 3.626 -7.134 -0.703 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 3 . 265 . 1 1 2 ARG HH22 H 3.565 -7.996 0.797 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 3 . 266 . 1 1 2 ARG N N 1.181 -3.038 -2.376 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 3 . 267 . 1 1 2 ARG NE N 1.530 -8.070 -1.655 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 3 . 268 . 1 1 2 ARG NH1 N 1.460 -9.201 0.324 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 3 . 269 . 1 1 2 ARG NH2 N 3.169 -7.783 -0.096 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 3 . 270 . 1 1 2 ARG O O 0.811 -2.381 -5.009 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 3 . 271 . 1 1 3 DTR C C 1.040 -3.421 -7.687 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 3 . 272 . 1 1 3 DTR CA C -0.041 -4.180 -6.925 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 3 . 273 . 1 1 3 DTR CB C -0.415 -5.452 -7.688 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 3 . 274 . 1 1 3 DTR CD1 C -0.362 -7.509 -6.220 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 3 . 275 . 1 1 3 DTR CD2 C 1.631 -7.064 -7.157 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 3 . 276 . 1 1 3 DTR CE2 C 1.805 -8.227 -6.371 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 3 . 277 . 1 1 3 DTR CE3 C 2.741 -6.568 -7.858 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 3 . 278 . 1 1 3 DTR CG C 0.247 -6.629 -7.045 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 3 . 279 . 1 1 3 DTR CH2 C 4.132 -8.365 -6.987 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 3 . 280 . 1 1 3 DTR CZ2 C 3.040 -8.872 -6.284 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 3 . 281 . 1 1 3 DTR CZ3 C 3.983 -7.215 -7.772 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 3 . 282 . 1 1 3 DTR H H 0.474 -5.457 -5.327 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 3 . 283 . 1 1 3 DTR HA H -0.916 -3.559 -6.832 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 3 . 284 . 1 1 3 DTR HB2 H -0.083 -5.368 -8.713 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 3 . 285 . 1 1 3 DTR HB3 H -1.486 -5.585 -7.666 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 3 . 286 . 1 1 3 DTR HD1 H -1.398 -7.476 -5.922 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 3 . 287 . 1 1 3 DTR HE1 H 0.375 -9.212 -5.220 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 3 . 288 . 1 1 3 DTR HE3 H 2.638 -5.682 -8.466 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 3 . 289 . 1 1 3 DTR HH2 H 5.092 -8.857 -6.926 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 3 . 290 . 1 1 3 DTR HZ2 H 3.151 -9.757 -5.678 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 3 . 291 . 1 1 3 DTR HZ3 H 4.828 -6.827 -8.313 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 3 . 292 . 1 1 3 DTR N N 0.436 -4.520 -5.595 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 3 . 293 . 1 1 3 DTR NE1 N 0.561 -8.460 -5.821 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 3 . 294 . 1 1 3 DTR O O 0.824 -2.967 -8.810 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 3 . 295 . 1 1 4 THR C C 4.641 -3.015 -6.981 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 3 . 296 . 1 1 4 THR CA C 3.332 -2.588 -7.664 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 3 . 297 . 1 1 4 THR CB C 3.147 -1.078 -7.491 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 3 . 298 . 1 1 4 THR CG2 C 2.753 -0.449 -8.827 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 3 . 299 . 1 1 4 THR H H 2.312 -3.678 -6.165 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 3 . 300 . 1 1 4 THR HA H 3.362 -2.816 -8.715 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 3 . 301 . 1 1 4 THR HB H 4.071 -0.639 -7.150 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 3 . 302 . 1 1 4 THR HG1 H 2.540 -0.490 -5.738 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 3 . 303 . 1 1 4 THR HG21 H 3.527 -0.637 -9.556 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 3 . 304 . 1 1 4 THR HG22 H 2.628 0.616 -8.700 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 3 . 305 . 1 1 4 THR HG23 H 1.824 -0.880 -9.168 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 3 . 306 . 1 1 4 THR N N 2.206 -3.291 -7.058 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 3 . 307 . 1 1 4 THR O O 4.829 -2.736 -5.796 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 3 . 308 . 1 1 4 THR OG1 O 2.127 -0.836 -6.532 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 3 . 309 . 1 1 5 PRO C C 7.846 -2.986 -6.955 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 3 . 310 . 1 1 5 PRO CA C 6.831 -4.123 -7.052 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 3 . 311 . 1 1 5 PRO CB C 7.326 -5.219 -7.993 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 3 . 312 . 1 1 5 PRO CD C 5.470 -4.083 -9.088 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 3 . 313 . 1 1 5 PRO CG C 6.756 -4.879 -9.332 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 3 . 314 . 1 1 5 PRO HA H 6.649 -4.543 -6.078 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 3 . 315 . 1 1 5 PRO HB2 H 8.407 -5.217 -8.032 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 3 . 316 . 1 1 5 PRO HB3 H 6.963 -6.183 -7.670 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 3 . 317 . 1 1 5 PRO HD2 H 5.441 -3.213 -9.730 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 3 . 318 . 1 1 5 PRO HD3 H 4.606 -4.704 -9.253 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 3 . 319 . 1 1 5 PRO HG2 H 7.464 -4.282 -9.891 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 3 . 320 . 1 1 5 PRO HG3 H 6.525 -5.783 -9.875 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 3 . 321 . 1 1 5 PRO N N 5.549 -3.680 -7.669 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 3 . 322 . 1 1 5 PRO O O 9.030 -3.219 -6.710 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 3 . 323 . 1 1 6 VAL C C 7.824 0.317 -5.923 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 3 . 324 . 1 1 6 VAL CA C 8.236 -0.586 -7.081 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 3 . 325 . 1 1 6 VAL CB C 8.156 0.197 -8.393 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 3 . 326 . 1 1 6 VAL CG1 C 6.690 0.404 -8.775 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 3 . 327 . 1 1 6 VAL CG2 C 8.833 1.557 -8.214 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 3 . 328 . 1 1 6 VAL H H 6.416 -1.639 -7.338 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 3 . 329 . 1 1 6 VAL HA H 9.255 -0.906 -6.929 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 3 . 330 . 1 1 6 VAL HB H 8.657 -0.357 -9.173 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 3 . 331 . 1 1 6 VAL HG11 H 6.341 -0.450 -9.337 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 3 . 332 . 1 1 6 VAL HG12 H 6.599 1.295 -9.380 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 3 . 333 . 1 1 6 VAL HG13 H 6.097 0.513 -7.880 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 3 . 334 . 1 1 6 VAL HG21 H 8.144 2.245 -7.745 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 3 . 335 . 1 1 6 VAL HG22 H 9.126 1.943 -9.179 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 3 . 336 . 1 1 6 VAL HG23 H 9.709 1.445 -7.591 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 3 . 337 . 1 1 6 VAL N N 7.370 -1.759 -7.148 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 3 . 338 . 1 1 6 VAL O O 8.604 1.156 -5.469 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 3 . 339 . 1 1 7 CYS C C 7.164 1.122 -3.274 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 3 . 340 . 1 1 7 CYS CA C 6.090 0.944 -4.342 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 3 . 341 . 1 1 7 CYS CB C 4.862 0.272 -3.726 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 3 . 342 . 1 1 7 CYS H H 6.020 -0.544 -5.849 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 3 . 343 . 1 1 7 CYS HA H 5.804 1.915 -4.716 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 3 . 344 . 1 1 7 CYS HB2 H 4.591 -0.592 -4.315 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 3 . 345 . 1 1 7 CYS HB3 H 5.089 -0.037 -2.717 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 3 . 346 . 1 1 7 CYS N N 6.595 0.139 -5.448 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 3 . 347 . 1 1 7 CYS O O 7.100 2.053 -2.472 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 3 . 348 . 1 1 7 CYS SG S 3.482 1.442 -3.702 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 3 . 349 . 1 1 8 NH2 HN1 H 8.207 -0.464 -3.856 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 3 . 350 . 1 1 8 NH2 HN2 H 8.852 0.383 -2.533 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 3 . 351 . 1 1 8 NH2 N N 8.157 0.276 -3.216 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 4 . 352 . 1 1 1 CYS C C 1.929 -1.856 -2.454 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 4 . 353 . 1 1 1 CYS CA C 1.611 -0.750 -1.454 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 4 . 354 . 1 1 1 CYS CB C 2.660 -0.735 -0.342 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 4 . 355 . 1 1 1 CYS H1 H 0.082 -0.289 -0.118 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 4 . 356 . 1 1 1 CYS H2 H 0.234 -1.947 -0.451 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 4 . 357 . 1 1 1 CYS H3 H -0.460 -0.909 -1.601 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 4 . 358 . 1 1 1 CYS HA H 1.612 0.203 -1.962 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 4 . 359 . 1 1 1 CYS HB2 H 2.178 -0.543 0.605 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 4 . 360 . 1 1 1 CYS HB3 H 3.159 -1.692 -0.304 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 4 . 361 . 1 1 1 CYS N N 0.265 -0.992 -0.861 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 4 . 362 . 1 1 1 CYS O O 2.898 -1.764 -3.209 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 4 . 363 . 1 1 1 CYS SG S 3.875 0.566 -0.675 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 4 . 364 . 1 1 2 ARG C C 0.789 -3.690 -4.753 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 4 . 365 . 1 1 2 ARG CA C 1.313 -4.020 -3.362 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 4 . 366 . 1 1 2 ARG CB C 0.601 -5.256 -2.829 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 4 . 367 . 1 1 2 ARG CD C 2.402 -6.906 -2.267 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 4 . 368 . 1 1 2 ARG CG C 1.341 -6.511 -3.295 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 4 . 369 . 1 1 2 ARG CZ C 2.378 -7.931 -0.065 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 4 . 370 . 1 1 2 ARG H H 0.354 -2.922 -1.830 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 4 . 371 . 1 1 2 ARG HA H 2.365 -4.233 -3.431 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 4 . 372 . 1 1 2 ARG HB2 H 0.585 -5.225 -1.748 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 4 . 373 . 1 1 2 ARG HB3 H -0.411 -5.278 -3.203 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 4 . 374 . 1 1 2 ARG HD2 H 3.216 -7.406 -2.772 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 4 . 375 . 1 1 2 ARG HD3 H 2.779 -6.017 -1.780 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 4 . 376 . 1 1 2 ARG HE H 1.029 -8.323 -1.492 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 4 . 377 . 1 1 2 ARG HG2 H 0.632 -7.307 -3.408 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 4 . 378 . 1 1 2 ARG HG3 H 1.822 -6.323 -4.242 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 4 . 379 . 1 1 2 ARG HH11 H 1.029 -9.265 0.575 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 4 . 380 . 1 1 2 ARG HH12 H 2.259 -8.836 1.717 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 4 . 381 . 1 1 2 ARG HH21 H 3.851 -6.625 -0.429 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 4 . 382 . 1 1 2 ARG HH22 H 3.857 -7.341 1.148 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 4 . 383 . 1 1 2 ARG N N 1.109 -2.901 -2.454 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 4 . 384 . 1 1 2 ARG NE N 1.831 -7.804 -1.270 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 4 . 385 . 1 1 2 ARG NH1 N 1.847 -8.741 0.811 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 4 . 386 . 1 1 2 ARG NH2 N 3.445 -7.245 0.242 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 4 . 387 . 1 1 2 ARG O O 0.688 -2.523 -5.133 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 4 . 388 . 1 1 3 DTR C C 0.977 -3.772 -7.704 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 4 . 389 . 1 1 3 DTR CA C -0.034 -4.551 -6.866 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 4 . 390 . 1 1 3 DTR CB C -0.297 -5.915 -7.507 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 4 . 391 . 1 1 3 DTR CD1 C -0.071 -7.817 -5.859 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 4 . 392 . 1 1 3 DTR CD2 C 1.879 -7.288 -6.841 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 4 . 393 . 1 1 3 DTR CE2 C 2.150 -8.354 -5.953 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 4 . 394 . 1 1 3 DTR CE3 C 2.944 -6.762 -7.589 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 4 . 395 . 1 1 3 DTR CG C 0.462 -6.966 -6.763 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 4 . 396 . 1 1 3 DTR CH2 C 4.483 -8.344 -6.564 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 4 . 397 . 1 1 3 DTR CZ2 C 3.436 -8.879 -5.813 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 4 . 398 . 1 1 3 DTR CZ3 C 4.237 -7.289 -7.450 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 4 . 399 . 1 1 3 DTR H H 0.575 -5.632 -5.157 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 4 . 400 . 1 1 3 DTR HA H -0.959 -4.002 -6.822 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 4 . 401 . 1 1 3 DTR HB2 H 0.028 -5.897 -8.537 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 4 . 402 . 1 1 3 DTR HB3 H -1.354 -6.135 -7.467 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 4 . 403 . 1 1 3 DTR HD1 H -1.108 -7.847 -5.561 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 4 . 404 . 1 1 3 DTR HE1 H 0.807 -9.350 -4.710 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 4 . 405 . 1 1 3 DTR HE3 H 2.766 -5.948 -8.276 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 4 . 406 . 1 1 3 DTR HH2 H 5.481 -8.742 -6.462 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 4 . 407 . 1 1 3 DTR HZ2 H 3.622 -9.691 -5.128 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 4 . 408 . 1 1 3 DTR HZ3 H 5.047 -6.878 -8.028 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 4 . 409 . 1 1 3 DTR N N 0.467 -4.730 -5.513 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 4 . 410 . 1 1 3 DTR NE1 N 0.930 -8.643 -5.378 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 4 . 411 . 1 1 3 DTR O O 0.725 -3.453 -8.866 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 4 . 412 . 1 1 4 THR C C 4.524 -2.983 -7.061 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 4 . 413 . 1 1 4 THR CA C 3.185 -2.735 -7.776 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 4 . 414 . 1 1 4 THR CB C 2.877 -1.232 -7.745 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 4 . 415 . 1 1 4 THR CG2 C 1.668 -0.918 -8.632 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 4 . 416 . 1 1 4 THR H H 2.263 -3.760 -6.173 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 4 . 417 . 1 1 4 THR HA H 3.240 -3.060 -8.800 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 4 . 418 . 1 1 4 THR HB H 3.734 -0.684 -8.106 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 4 . 419 . 1 1 4 THR HG1 H 2.300 0.074 -6.424 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 4 . 420 . 1 1 4 THR HG21 H 0.763 -1.215 -8.126 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 4 . 421 . 1 1 4 THR HG22 H 1.752 -1.455 -9.566 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 4 . 422 . 1 1 4 THR HG23 H 1.636 0.143 -8.831 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 4 . 423 . 1 1 4 THR N N 2.124 -3.474 -7.098 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 4 . 424 . 1 1 4 THR O O 4.681 -2.578 -5.909 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 4 . 425 . 1 1 4 THR OG1 O 2.597 -0.839 -6.409 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 4 . 426 . 1 1 5 PRO C C 7.710 -2.682 -7.039 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 4 . 427 . 1 1 5 PRO CA C 6.798 -3.905 -7.033 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 4 . 428 . 1 1 5 PRO CB C 7.392 -5.035 -7.870 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 4 . 429 . 1 1 5 PRO CD C 5.450 -4.174 -9.058 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 4 . 430 . 1 1 5 PRO CG C 6.800 -4.876 -9.231 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 4 . 431 . 1 1 5 PRO HA H 6.646 -4.250 -6.022 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 4 . 432 . 1 1 5 PRO HB2 H 8.468 -4.940 -7.912 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 4 . 433 . 1 1 5 PRO HB3 H 7.116 -5.993 -7.454 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 4 . 434 . 1 1 5 PRO HD2 H 5.347 -3.374 -9.780 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 4 . 435 . 1 1 5 PRO HD3 H 4.643 -4.879 -9.160 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 4 . 436 . 1 1 5 PRO HG2 H 7.455 -4.276 -9.848 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 4 . 437 . 1 1 5 PRO HG3 H 6.649 -5.843 -9.684 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 4 . 438 . 1 1 5 PRO N N 5.487 -3.633 -7.685 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 4 . 439 . 1 1 5 PRO O O 8.915 -2.792 -6.809 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 4 . 440 . 1 1 6 VAL C C 7.895 0.389 -5.964 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 4 . 441 . 1 1 6 VAL CA C 7.898 -0.279 -7.336 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 4 . 442 . 1 1 6 VAL CB C 7.305 0.677 -8.373 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 4 . 443 . 1 1 6 VAL CG1 C 5.904 1.106 -7.931 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 4 . 444 . 1 1 6 VAL CG2 C 8.200 1.913 -8.495 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 4 . 445 . 1 1 6 VAL H H 6.164 -1.490 -7.478 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 4 . 446 . 1 1 6 VAL HA H 8.916 -0.506 -7.614 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 4 . 447 . 1 1 6 VAL HB H 7.243 0.178 -9.329 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 4 . 448 . 1 1 6 VAL HG11 H 5.557 0.447 -7.148 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 4 . 449 . 1 1 6 VAL HG12 H 5.230 1.053 -8.772 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 4 . 450 . 1 1 6 VAL HG13 H 5.939 2.119 -7.559 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 4 . 451 . 1 1 6 VAL HG21 H 8.101 2.518 -7.606 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 4 . 452 . 1 1 6 VAL HG22 H 7.902 2.488 -9.359 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 4 . 453 . 1 1 6 VAL HG23 H 9.228 1.602 -8.605 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 4 . 454 . 1 1 6 VAL N N 7.128 -1.518 -7.303 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 4 . 455 . 1 1 6 VAL O O 8.756 1.216 -5.665 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 4 . 456 . 1 1 7 CYS C C 7.735 -0.144 -2.828 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 4 . 457 . 1 1 7 CYS CA C 6.818 0.594 -3.797 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 4 . 458 . 1 1 7 CYS CB C 5.372 0.505 -3.304 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 4 . 459 . 1 1 7 CYS H H 6.264 -0.641 -5.429 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 4 . 460 . 1 1 7 CYS HA H 7.110 1.632 -3.835 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 4 . 461 . 1 1 7 CYS HB2 H 4.974 1.501 -3.175 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 4 . 462 . 1 1 7 CYS HB3 H 4.776 -0.031 -4.028 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 4 . 463 . 1 1 7 CYS N N 6.923 0.024 -5.136 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 4 . 464 . 1 1 7 CYS O O 8.195 -1.248 -3.120 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 4 . 465 . 1 1 7 CYS SG S 5.329 -0.371 -1.720 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 4 . 466 . 1 1 8 NH2 HN1 H 7.664 1.283 -1.449 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 4 . 467 . 1 1 8 NH2 HN2 H 8.619 -0.063 -1.052 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 4 . 468 . 1 1 8 NH2 N N 8.030 0.404 -1.681 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 5 . 469 . 1 1 1 CYS C C 2.090 -2.082 -2.253 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 5 . 470 . 1 1 1 CYS CA C 1.849 -1.064 -1.144 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 5 . 471 . 1 1 1 CYS CB C 1.391 0.266 -1.747 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 5 . 472 . 1 1 1 CYS H1 H 3.862 -0.547 -1.033 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 5 . 473 . 1 1 1 CYS H2 H 3.390 -1.744 0.078 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 5 . 474 . 1 1 1 CYS H3 H 2.962 -0.120 0.340 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 5 . 475 . 1 1 1 CYS HA H 1.085 -1.437 -0.476 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 5 . 476 . 1 1 1 CYS HB2 H 1.007 0.097 -2.742 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 5 . 477 . 1 1 1 CYS HB3 H 0.616 0.694 -1.128 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 5 . 478 . 1 1 1 CYS N N 3.111 -0.853 -0.382 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 5 . 479 . 1 1 1 CYS O O 3.072 -1.990 -2.989 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 5 . 480 . 1 1 1 CYS SG S 2.796 1.406 -1.829 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 5 . 481 . 1 1 2 ARG C C 0.833 -3.570 -4.737 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 5 . 482 . 1 1 2 ARG CA C 1.313 -4.083 -3.386 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 5 . 483 . 1 1 2 ARG CB C 0.499 -5.306 -2.984 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 5 . 484 . 1 1 2 ARG CD C 2.156 -7.147 -2.596 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 5 . 485 . 1 1 2 ARG CG C 1.140 -6.561 -3.578 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 5 . 486 . 1 1 2 ARG CZ C 2.051 -8.429 -0.536 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 5 . 487 . 1 1 2 ARG H H 0.427 -3.077 -1.752 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 5 . 488 . 1 1 2 ARG HA H 2.346 -4.372 -3.474 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 5 . 489 . 1 1 2 ARG HB2 H 0.475 -5.386 -1.907 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 5 . 490 . 1 1 2 ARG HB3 H -0.508 -5.208 -3.361 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 5 . 491 . 1 1 2 ARG HD2 H 2.933 -7.653 -3.151 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 5 . 492 . 1 1 2 ARG HD3 H 2.596 -6.347 -2.016 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 5 . 493 . 1 1 2 ARG HE H 0.650 -8.498 -1.965 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 5 . 494 . 1 1 2 ARG HG2 H 0.370 -7.281 -3.774 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 5 . 495 . 1 1 2 ARG HG3 H 1.643 -6.317 -4.501 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 5 . 496 . 1 1 2 ARG HH11 H 0.577 -9.685 -0.029 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 5 . 497 . 1 1 2 ARG HH12 H 1.860 -9.532 1.124 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 5 . 498 . 1 1 2 ARG HH21 H 3.650 -7.250 -0.775 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 5 . 499 . 1 1 2 ARG HH22 H 3.600 -8.152 0.701 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 5 . 500 . 1 1 2 ARG N N 1.189 -3.052 -2.366 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 5 . 501 . 1 1 2 ARG NE N 1.505 -8.097 -1.701 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 5 . 502 . 1 1 2 ARG NH1 N 1.449 -9.282 0.247 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 5 . 503 . 1 1 2 ARG NH2 N 3.189 -7.903 -0.176 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 5 . 504 . 1 1 2 ARG O O 0.830 -2.366 -4.993 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 5 . 505 . 1 1 3 DTR C C 1.051 -3.381 -7.680 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 5 . 506 . 1 1 3 DTR CA C -0.038 -4.138 -6.925 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 5 . 507 . 1 1 3 DTR CB C -0.424 -5.399 -7.701 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 5 . 508 . 1 1 3 DTR CD1 C -0.388 -7.472 -6.255 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 5 . 509 . 1 1 3 DTR CD2 C 1.608 -7.035 -7.192 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 5 . 510 . 1 1 3 DTR CE2 C 1.773 -8.208 -6.418 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 5 . 511 . 1 1 3 DTR CE3 C 2.720 -6.541 -7.889 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 5 . 512 . 1 1 3 DTR CG C 0.228 -6.588 -7.072 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 5 . 513 . 1 1 3 DTR CH2 C 4.097 -8.359 -7.040 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 5 . 514 . 1 1 3 DTR CZ2 C 3.001 -8.865 -6.340 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 5 . 515 . 1 1 3 DTR CZ3 C 3.956 -7.201 -7.812 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 5 . 516 . 1 1 3 DTR H H 0.466 -5.434 -5.340 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 5 . 517 . 1 1 3 DTR HA H -0.906 -3.509 -6.827 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 5 . 518 . 1 1 3 DTR HB2 H -0.094 -5.308 -8.726 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 5 . 519 . 1 1 3 DTR HB3 H -1.496 -5.522 -7.678 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 5 . 520 . 1 1 3 DTR HD1 H -1.423 -7.432 -5.954 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 5 . 521 . 1 1 3 DTR HE1 H 0.335 -9.191 -5.275 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 5 . 522 . 1 1 3 DTR HE3 H 2.623 -5.649 -8.488 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 5 . 523 . 1 1 3 DTR HH2 H 5.052 -8.860 -6.986 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 5 . 524 . 1 1 3 DTR HZ2 H 3.106 -9.757 -5.742 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 5 . 525 . 1 1 3 DTR HZ3 H 4.803 -6.813 -8.351 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 5 . 526 . 1 1 3 DTR N N 0.435 -4.496 -5.599 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 5 . 527 . 1 1 3 DTR NE1 N 0.527 -8.435 -5.867 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 5 . 528 . 1 1 3 DTR O O 0.839 -2.917 -8.801 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 5 . 529 . 1 1 4 THR C C 4.657 -3.013 -6.976 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 5 . 530 . 1 1 4 THR CA C 3.349 -2.566 -7.650 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 5 . 531 . 1 1 4 THR CB C 3.180 -1.057 -7.458 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 5 . 532 . 1 1 4 THR CG2 C 2.781 -0.409 -8.784 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 5 . 533 . 1 1 4 THR H H 2.320 -3.661 -6.160 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 5 . 534 . 1 1 4 THR HA H 3.375 -2.781 -8.703 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 5 . 535 . 1 1 4 THR HB H 4.111 -0.631 -7.119 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 5 . 536 . 1 1 4 THR HG1 H 1.999 0.128 -6.465 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 5 . 537 . 1 1 4 THR HG21 H 1.846 -0.828 -9.124 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 5 . 538 . 1 1 4 THR HG22 H 3.548 -0.595 -9.521 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 5 . 539 . 1 1 4 THR HG23 H 2.668 0.656 -8.644 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 5 . 540 . 1 1 4 THR N N 2.217 -3.266 -7.051 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 5 . 541 . 1 1 4 THR O O 4.850 -2.750 -5.789 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 5 . 542 . 1 1 4 THR OG1 O 2.167 -0.816 -6.489 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 5 . 543 . 1 1 5 PRO C C 7.863 -3.017 -6.963 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 5 . 544 . 1 1 5 PRO CA C 6.835 -4.142 -7.067 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 5 . 545 . 1 1 5 PRO CB C 7.315 -5.233 -8.020 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 5 . 546 . 1 1 5 PRO CD C 5.468 -4.067 -9.096 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 5 . 547 . 1 1 5 PRO CG C 6.745 -4.875 -9.353 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 5 . 548 . 1 1 5 PRO HA H 6.653 -4.570 -6.095 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 5 . 549 . 1 1 5 PRO HB2 H 8.396 -5.241 -8.062 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 5 . 550 . 1 1 5 PRO HB3 H 6.944 -6.197 -7.703 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 5 . 551 . 1 1 5 PRO HD2 H 5.447 -3.190 -9.729 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 5 . 552 . 1 1 5 PRO HD3 H 4.597 -4.677 -9.265 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 5 . 553 . 1 1 5 PRO HG2 H 7.457 -4.281 -9.910 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 5 . 554 . 1 1 5 PRO HG3 H 6.500 -5.771 -9.903 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 5 . 555 . 1 1 5 PRO N N 5.555 -3.680 -7.674 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 5 . 556 . 1 1 5 PRO O O 9.050 -3.268 -6.758 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 5 . 557 . 1 1 6 VAL C C 7.783 0.352 -5.960 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 5 . 558 . 1 1 6 VAL CA C 8.273 -0.617 -7.030 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 5 . 559 . 1 1 6 VAL CB C 8.317 0.094 -8.383 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 5 . 560 . 1 1 6 VAL CG1 C 6.913 0.575 -8.754 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 5 . 561 . 1 1 6 VAL CG2 C 9.259 1.297 -8.295 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 5 . 562 . 1 1 6 VAL H H 6.437 -1.647 -7.270 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 5 . 563 . 1 1 6 VAL HA H 9.270 -0.944 -6.777 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 5 . 564 . 1 1 6 VAL HB H 8.673 -0.592 -9.138 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 5 . 565 . 1 1 6 VAL HG11 H 6.659 0.219 -9.741 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 5 . 566 . 1 1 6 VAL HG12 H 6.887 1.654 -8.742 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 5 . 567 . 1 1 6 VAL HG13 H 6.200 0.189 -8.040 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 5 . 568 . 1 1 6 VAL HG21 H 9.559 1.592 -9.290 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 5 . 569 . 1 1 6 VAL HG22 H 10.133 1.028 -7.720 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 5 . 570 . 1 1 6 VAL HG23 H 8.750 2.118 -7.813 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 5 . 571 . 1 1 6 VAL N N 7.393 -1.780 -7.108 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 5 . 572 . 1 1 6 VAL O O 8.481 1.302 -5.603 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 5 . 573 . 1 1 7 CYS C C 7.059 1.329 -3.381 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 5 . 574 . 1 1 7 CYS CA C 6.006 0.966 -4.423 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 5 . 575 . 1 1 7 CYS CB C 4.837 0.254 -3.742 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 5 . 576 . 1 1 7 CYS H H 6.070 -0.664 -5.776 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 5 . 577 . 1 1 7 CYS HA H 5.642 1.871 -4.885 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 5 . 578 . 1 1 7 CYS HB2 H 4.614 -0.661 -4.272 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 5 . 579 . 1 1 7 CYS HB3 H 5.101 0.023 -2.721 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 5 . 580 . 1 1 7 CYS N N 6.580 0.107 -5.453 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 5 . 581 . 1 1 7 CYS O O 7.404 0.511 -2.529 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 5 . 582 . 1 1 7 CYS SG S 3.382 1.331 -3.761 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 5 . 583 . 1 1 8 NH2 HN1 H 7.318 3.171 -4.076 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 5 . 584 . 1 1 8 NH2 HN2 H 8.271 2.763 -2.733 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 5 . 585 . 1 1 8 NH2 N N 7.593 2.520 -3.399 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 6 . 586 . 1 1 1 CYS C C 1.935 -1.862 -2.456 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 6 . 587 . 1 1 1 CYS CA C 1.622 -0.759 -1.451 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 6 . 588 . 1 1 1 CYS CB C 2.677 -0.748 -0.343 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 6 . 589 . 1 1 1 CYS H1 H -0.345 -1.435 -1.563 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 6 . 590 . 1 1 1 CYS H2 H -0.127 -0.098 -0.537 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 6 . 591 . 1 1 1 CYS H3 H 0.372 -1.643 -0.040 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 6 . 592 . 1 1 1 CYS HA H 1.622 0.196 -1.955 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 6 . 593 . 1 1 1 CYS HB2 H 2.197 -0.569 0.608 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 6 . 594 . 1 1 1 CYS HB3 H 3.182 -1.702 -0.317 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 6 . 595 . 1 1 1 CYS N N 0.279 -1.002 -0.853 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 6 . 596 . 1 1 1 CYS O O 2.902 -1.769 -3.213 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 6 . 597 . 1 1 1 CYS SG S 3.881 0.564 -0.669 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 6 . 598 . 1 1 2 ARG C C 0.784 -3.687 -4.757 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 6 . 599 . 1 1 2 ARG CA C 1.313 -4.022 -3.370 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 6 . 600 . 1 1 2 ARG CB C 0.602 -5.259 -2.836 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 6 . 601 . 1 1 2 ARG CD C 2.403 -6.913 -2.284 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 6 . 602 . 1 1 2 ARG CG C 1.340 -6.513 -3.308 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 6 . 603 . 1 1 2 ARG CZ C 2.392 -7.954 -0.090 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 6 . 604 . 1 1 2 ARG H H 0.362 -2.929 -1.830 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 6 . 605 . 1 1 2 ARG HA H 2.365 -4.236 -3.442 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 6 . 606 . 1 1 2 ARG HB2 H 0.589 -5.231 -1.756 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 6 . 607 . 1 1 2 ARG HB3 H -0.411 -5.281 -3.207 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 6 . 608 . 1 1 2 ARG HD2 H 3.215 -7.412 -2.793 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 6 . 609 . 1 1 2 ARG HD3 H 2.781 -6.026 -1.796 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 6 . 610 . 1 1 2 ARG HE H 1.025 -8.323 -1.506 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 6 . 611 . 1 1 2 ARG HG2 H 0.629 -7.309 -3.421 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 6 . 612 . 1 1 2 ARG HG3 H 1.817 -6.324 -4.257 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 6 . 613 . 1 1 2 ARG HH11 H 1.040 -9.282 0.554 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 6 . 614 . 1 1 2 ARG HH12 H 2.285 -8.873 1.685 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 6 . 615 . 1 1 2 ARG HH21 H 3.873 -6.659 -0.460 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 6 . 616 . 1 1 2 ARG HH22 H 3.889 -7.387 1.112 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 6 . 617 . 1 1 2 ARG N N 1.114 -2.906 -2.456 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 6 . 618 . 1 1 2 ARG NE N 1.833 -7.814 -1.288 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 6 . 619 . 1 1 2 ARG NH1 N 1.865 -8.767 0.785 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 6 . 620 . 1 1 2 ARG NH2 N 3.469 -7.281 0.211 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 6 . 621 . 1 1 2 ARG O O 0.678 -2.518 -5.129 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 6 . 622 . 1 1 3 DTR C C 0.968 -3.752 -7.698 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 6 . 623 . 1 1 3 DTR CA C -0.041 -4.538 -6.869 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 6 . 624 . 1 1 3 DTR CB C -0.300 -5.899 -7.522 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 6 . 625 . 1 1 3 DTR CD1 C -0.080 -7.806 -5.877 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 6 . 626 . 1 1 3 DTR CD2 C 1.872 -7.280 -6.859 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 6 . 627 . 1 1 3 DTR CE2 C 2.141 -8.349 -5.973 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 6 . 628 . 1 1 3 DTR CE3 C 2.938 -6.757 -7.606 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 6 . 629 . 1 1 3 DTR CG C 0.456 -6.954 -6.780 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 6 . 630 . 1 1 3 DTR CH2 C 4.473 -8.345 -6.585 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 6 . 631 . 1 1 3 DTR CZ2 C 3.426 -8.878 -5.834 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 6 . 632 . 1 1 3 DTR CZ3 C 4.230 -7.287 -7.469 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 6 . 633 . 1 1 3 DTR H H 0.576 -5.626 -5.172 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 6 . 634 . 1 1 3 DTR HA H -0.968 -3.992 -6.822 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 6 . 635 . 1 1 3 DTR HB2 H 0.031 -5.875 -8.549 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 6 . 636 . 1 1 3 DTR HB3 H -1.355 -6.121 -7.488 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 6 . 637 . 1 1 3 DTR HD1 H -1.116 -7.833 -5.577 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 6 . 638 . 1 1 3 DTR HE1 H 0.795 -9.345 -4.731 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 6 . 639 . 1 1 3 DTR HE3 H 2.762 -5.941 -8.291 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 6 . 640 . 1 1 3 DTR HH2 H 5.471 -8.747 -6.485 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 6 . 641 . 1 1 3 DTR HZ2 H 3.609 -9.692 -5.151 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 6 . 642 . 1 1 3 DTR HZ3 H 5.040 -6.878 -8.047 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 6 . 643 . 1 1 3 DTR N N 0.464 -4.723 -5.520 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 6 . 644 . 1 1 3 DTR NE1 N 0.920 -8.636 -5.397 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 6 . 645 . 1 1 3 DTR O O 0.707 -3.399 -8.848 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 6 . 646 . 1 1 4 THR C C 4.525 -2.991 -7.049 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 6 . 647 . 1 1 4 THR CA C 3.186 -2.737 -7.761 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 6 . 648 . 1 1 4 THR CB C 2.870 -1.241 -7.712 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 6 . 649 . 1 1 4 THR CG2 C 2.440 -0.757 -9.097 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 6 . 650 . 1 1 4 THR H H 2.267 -3.796 -6.178 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 6 . 651 . 1 1 4 THR HA H 3.240 -3.048 -8.790 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 6 . 652 . 1 1 4 THR HB H 3.749 -0.696 -7.402 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 6 . 653 . 1 1 4 THR HG1 H 1.935 -1.620 -6.048 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 6 . 654 . 1 1 4 THR HG21 H 1.554 -1.290 -9.406 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 6 . 655 . 1 1 4 THR HG22 H 3.235 -0.938 -9.805 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 6 . 656 . 1 1 4 THR HG23 H 2.228 0.302 -9.058 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 6 . 657 . 1 1 4 THR N N 2.124 -3.484 -7.095 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 6 . 658 . 1 1 4 THR O O 4.683 -2.596 -5.894 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 6 . 659 . 1 1 4 THR OG1 O 1.819 -1.012 -6.782 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 6 . 660 . 1 1 5 PRO C C 7.716 -2.690 -7.035 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 6 . 661 . 1 1 5 PRO CA C 6.800 -3.912 -7.031 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 6 . 662 . 1 1 5 PRO CB C 7.390 -5.039 -7.875 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 6 . 663 . 1 1 5 PRO CD C 5.449 -4.165 -9.057 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 6 . 664 . 1 1 5 PRO CG C 6.798 -4.869 -9.236 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 6 . 665 . 1 1 5 PRO HA H 6.650 -4.262 -6.022 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 6 . 666 . 1 1 5 PRO HB2 H 8.467 -4.947 -7.919 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 6 . 667 . 1 1 5 PRO HB3 H 7.110 -5.999 -7.466 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 6 . 668 . 1 1 5 PRO HD2 H 5.348 -3.359 -9.772 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 6 . 669 . 1 1 5 PRO HD3 H 4.640 -4.869 -9.164 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 6 . 670 . 1 1 5 PRO HG2 H 7.454 -4.266 -9.849 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 6 . 671 . 1 1 5 PRO HG3 H 6.645 -5.833 -9.695 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 6 . 672 . 1 1 5 PRO N N 5.487 -3.634 -7.680 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 6 . 673 . 1 1 5 PRO O O 8.919 -2.803 -6.800 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 6 . 674 . 1 1 6 VAL C C 7.902 0.381 -5.961 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 6 . 675 . 1 1 6 VAL CA C 7.909 -0.288 -7.331 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 6 . 676 . 1 1 6 VAL CB C 7.326 0.669 -8.372 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 6 . 677 . 1 1 6 VAL CG1 C 6.155 1.439 -7.758 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 6 . 678 . 1 1 6 VAL CG2 C 8.406 1.655 -8.819 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 6 . 679 . 1 1 6 VAL H H 6.173 -1.495 -7.479 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 6 . 680 . 1 1 6 VAL HA H 8.928 -0.518 -7.603 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 6 . 681 . 1 1 6 VAL HB H 6.976 0.103 -9.225 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 6 . 682 . 1 1 6 VAL HG11 H 5.525 1.824 -8.546 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 6 . 683 . 1 1 6 VAL HG12 H 6.535 2.259 -7.168 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 6 . 684 . 1 1 6 VAL HG13 H 5.581 0.778 -7.127 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 6 . 685 . 1 1 6 VAL HG21 H 7.985 2.355 -9.527 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 6 . 686 . 1 1 6 VAL HG22 H 9.217 1.115 -9.286 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 6 . 687 . 1 1 6 VAL HG23 H 8.780 2.194 -7.960 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 6 . 688 . 1 1 6 VAL N N 7.137 -1.524 -7.302 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 6 . 689 . 1 1 6 VAL O O 8.776 1.191 -5.650 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 6 . 690 . 1 1 7 CYS C C 7.739 -0.096 -2.842 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 6 . 691 . 1 1 7 CYS CA C 6.798 0.613 -3.811 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 6 . 692 . 1 1 7 CYS CB C 5.359 0.489 -3.307 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 6 . 693 . 1 1 7 CYS H H 6.242 -0.612 -5.448 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 6 . 694 . 1 1 7 CYS HA H 7.063 1.658 -3.854 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 6 . 695 . 1 1 7 CYS HB2 H 4.930 1.475 -3.196 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 6 . 696 . 1 1 7 CYS HB3 H 4.776 -0.078 -4.019 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 6 . 697 . 1 1 7 CYS N N 6.909 0.038 -5.147 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 6 . 698 . 1 1 7 CYS O O 8.084 0.448 -1.793 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 6 . 699 . 1 1 7 CYS SG S 5.348 -0.357 -1.708 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 6 . 700 . 1 1 8 NH2 HN1 H 7.905 -1.722 -3.969 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 6 . 701 . 1 1 8 NH2 HN2 H 8.786 -1.753 -2.518 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 6 . 702 . 1 1 8 NH2 N N 8.180 -1.289 -3.133 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 7 . 703 . 1 1 1 CYS C C 1.931 -1.855 -2.456 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 7 . 704 . 1 1 1 CYS CA C 1.614 -0.753 -1.451 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 7 . 705 . 1 1 1 CYS CB C 2.661 -0.745 -0.337 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 7 . 706 . 1 1 1 CYS H1 H -0.223 -0.087 -0.732 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 7 . 707 . 1 1 1 CYS H2 H 0.372 -1.467 0.060 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 7 . 708 . 1 1 1 CYS H3 H -0.289 -1.598 -1.500 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 7 . 709 . 1 1 1 CYS HA H 1.617 0.203 -1.954 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 7 . 710 . 1 1 1 CYS HB2 H 2.179 -0.549 0.609 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 7 . 711 . 1 1 1 CYS HB3 H 3.153 -1.706 -0.298 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 7 . 712 . 1 1 1 CYS N N 0.266 -0.995 -0.861 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 7 . 713 . 1 1 1 CYS O O 2.897 -1.758 -3.213 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 7 . 714 . 1 1 1 CYS SG S 3.885 0.547 -0.669 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 7 . 715 . 1 1 2 ARG C C 0.786 -3.685 -4.755 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 7 . 716 . 1 1 2 ARG CA C 1.317 -4.018 -3.367 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 7 . 717 . 1 1 2 ARG CB C 0.610 -5.258 -2.833 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 7 . 718 . 1 1 2 ARG CD C 2.412 -6.908 -2.279 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 7 . 719 . 1 1 2 ARG CG C 1.350 -6.509 -3.305 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 7 . 720 . 1 1 2 ARG CZ C 2.444 -8.015 -0.118 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 7 . 721 . 1 1 2 ARG H H 0.361 -2.928 -1.828 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 7 . 722 . 1 1 2 ARG HA H 2.369 -4.228 -3.441 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 7 . 723 . 1 1 2 ARG HB2 H 0.597 -5.228 -1.753 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 7 . 724 . 1 1 2 ARG HB3 H -0.404 -5.281 -3.203 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 7 . 725 . 1 1 2 ARG HD2 H 3.226 -7.408 -2.788 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 7 . 726 . 1 1 2 ARG HD3 H 2.791 -6.022 -1.790 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 7 . 727 . 1 1 2 ARG HE H 0.998 -8.269 -1.479 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 7 . 728 . 1 1 2 ARG HG2 H 0.642 -7.306 -3.420 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 7 . 729 . 1 1 2 ARG HG3 H 1.829 -6.319 -4.252 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 7 . 730 . 1 1 2 ARG HH11 H 1.053 -9.290 0.550 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 7 . 731 . 1 1 2 ARG HH12 H 2.368 -8.981 1.634 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 7 . 732 . 1 1 2 ARG HH21 H 3.975 -6.789 -0.519 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 7 . 733 . 1 1 2 ARG HH22 H 4.022 -7.564 1.029 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 7 . 734 . 1 1 2 ARG N N 1.113 -2.903 -2.455 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 7 . 735 . 1 1 2 ARG NE N 1.842 -7.809 -1.284 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 7 . 736 . 1 1 2 ARG NH1 N 1.914 -8.826 0.757 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 7 . 737 . 1 1 2 ARG NH2 N 3.568 -7.409 0.152 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 7 . 738 . 1 1 2 ARG O O 0.674 -2.517 -5.127 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 7 . 739 . 1 1 3 DTR C C 0.972 -3.756 -7.700 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 7 . 740 . 1 1 3 DTR CA C -0.037 -4.541 -6.868 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 7 . 741 . 1 1 3 DTR CB C -0.297 -5.902 -7.517 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 7 . 742 . 1 1 3 DTR CD1 C -0.073 -7.809 -5.872 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 7 . 743 . 1 1 3 DTR CD2 C 1.877 -7.282 -6.856 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 7 . 744 . 1 1 3 DTR CE2 C 2.148 -8.350 -5.970 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 7 . 745 . 1 1 3 DTR CE3 C 2.943 -6.757 -7.605 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 7 . 746 . 1 1 3 DTR CG C 0.462 -6.957 -6.775 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 7 . 747 . 1 1 3 DTR CH2 C 4.480 -8.344 -6.584 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 7 . 748 . 1 1 3 DTR CZ2 C 3.433 -8.878 -5.832 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 7 . 749 . 1 1 3 DTR CZ3 C 4.235 -7.286 -7.468 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 7 . 750 . 1 1 3 DTR H H 0.586 -5.626 -5.170 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 7 . 751 . 1 1 3 DTR HA H -0.963 -3.994 -6.820 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 7 . 752 . 1 1 3 DTR HB2 H 0.032 -5.879 -8.545 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 7 . 753 . 1 1 3 DTR HB3 H -1.353 -6.124 -7.480 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 7 . 754 . 1 1 3 DTR HD1 H -1.109 -7.836 -5.572 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 7 . 755 . 1 1 3 DTR HE1 H 0.804 -9.346 -4.728 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 7 . 756 . 1 1 3 DTR HE3 H 2.765 -5.942 -8.289 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 7 . 757 . 1 1 3 DTR HH2 H 5.478 -8.745 -6.484 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 7 . 758 . 1 1 3 DTR HZ2 H 3.618 -9.692 -5.150 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 7 . 759 . 1 1 3 DTR HZ3 H 5.045 -6.877 -8.046 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 7 . 760 . 1 1 3 DTR N N 0.469 -4.724 -5.518 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 7 . 761 . 1 1 3 DTR NE1 N 0.927 -8.638 -5.394 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 7 . 762 . 1 1 3 DTR O O 0.712 -3.410 -8.851 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 7 . 763 . 1 1 4 THR C C 4.528 -2.990 -7.054 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 7 . 764 . 1 1 4 THR CA C 3.188 -2.739 -7.765 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 7 . 765 . 1 1 4 THR CB C 2.870 -1.242 -7.720 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 7 . 766 . 1 1 4 THR CG2 C 2.438 -0.763 -9.106 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 7 . 767 . 1 1 4 THR H H 2.269 -3.790 -6.177 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 7 . 768 . 1 1 4 THR HA H 3.241 -3.052 -8.793 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 7 . 769 . 1 1 4 THR HB H 3.751 -0.696 -7.414 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 7 . 770 . 1 1 4 THR HG1 H 1.326 -0.244 -7.085 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 7 . 771 . 1 1 4 THR HG21 H 3.233 -0.944 -9.814 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 7 . 772 . 1 1 4 THR HG22 H 2.223 0.295 -9.070 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 7 . 773 . 1 1 4 THR HG23 H 1.553 -1.300 -9.411 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 7 . 774 . 1 1 4 THR N N 2.127 -3.483 -7.096 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 7 . 775 . 1 1 4 THR O O 4.686 -2.593 -5.899 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 7 . 776 . 1 1 4 THR OG1 O 1.823 -1.010 -6.789 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 7 . 777 . 1 1 5 PRO C C 7.716 -2.686 -7.041 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 7 . 778 . 1 1 5 PRO CA C 6.803 -3.910 -7.036 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 7 . 779 . 1 1 5 PRO CB C 7.393 -5.037 -7.880 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 7 . 780 . 1 1 5 PRO CD C 5.451 -4.166 -9.061 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 7 . 781 . 1 1 5 PRO CG C 6.801 -4.868 -9.241 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 7 . 782 . 1 1 5 PRO HA H 6.654 -4.258 -6.027 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 7 . 783 . 1 1 5 PRO HB2 H 8.470 -4.944 -7.924 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 7 . 784 . 1 1 5 PRO HB3 H 7.115 -5.997 -7.470 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 7 . 785 . 1 1 5 PRO HD2 H 5.348 -3.361 -9.777 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 7 . 786 . 1 1 5 PRO HD3 H 4.643 -4.870 -9.166 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 7 . 787 . 1 1 5 PRO HG2 H 7.456 -4.264 -9.854 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 7 . 788 . 1 1 5 PRO HG3 H 6.648 -5.832 -9.699 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 7 . 789 . 1 1 5 PRO N N 5.490 -3.634 -7.684 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 7 . 790 . 1 1 5 PRO O O 8.921 -2.797 -6.813 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 7 . 791 . 1 1 6 VAL C C 7.890 0.390 -5.966 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 7 . 792 . 1 1 6 VAL CA C 7.902 -0.283 -7.334 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 7 . 793 . 1 1 6 VAL CB C 7.317 0.669 -8.378 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 7 . 794 . 1 1 6 VAL CG1 C 6.144 1.439 -7.768 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 7 . 795 . 1 1 6 VAL CG2 C 8.396 1.658 -8.827 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 7 . 796 . 1 1 6 VAL H H 6.169 -1.493 -7.477 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 7 . 797 . 1 1 6 VAL HA H 8.922 -0.511 -7.603 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 7 . 798 . 1 1 6 VAL HB H 6.970 0.100 -9.230 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 7 . 799 . 1 1 6 VAL HG11 H 5.576 0.780 -7.129 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 7 . 800 . 1 1 6 VAL HG12 H 5.509 1.812 -8.558 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 7 . 801 . 1 1 6 VAL HG13 H 6.521 2.268 -7.187 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 7 . 802 . 1 1 6 VAL HG21 H 9.183 1.124 -9.339 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 7 . 803 . 1 1 6 VAL HG22 H 8.805 2.161 -7.963 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 7 . 804 . 1 1 6 VAL HG23 H 7.962 2.386 -9.495 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 7 . 805 . 1 1 6 VAL N N 7.133 -1.521 -7.303 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 7 . 806 . 1 1 6 VAL O O 8.745 1.223 -5.665 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 7 . 807 . 1 1 7 CYS C C 7.727 -0.124 -2.830 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 7 . 808 . 1 1 7 CYS CA C 6.802 0.598 -3.804 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 7 . 809 . 1 1 7 CYS CB C 5.357 0.492 -3.312 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 7 . 810 . 1 1 7 CYS H H 6.262 -0.646 -5.433 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 7 . 811 . 1 1 7 CYS HA H 7.081 1.639 -3.846 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 7 . 812 . 1 1 7 CYS HB2 H 4.949 1.484 -3.177 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 7 . 813 . 1 1 7 CYS HB3 H 4.766 -0.044 -4.039 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 7 . 814 . 1 1 7 CYS N N 6.915 0.022 -5.140 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 7 . 815 . 1 1 7 CYS O O 8.164 -1.243 -3.095 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 7 . 816 . 1 1 7 CYS SG S 5.321 -0.394 -1.734 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 7 . 817 . 1 1 8 NH2 HN1 H 7.707 1.348 -1.497 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 7 . 818 . 1 1 8 NH2 HN2 H 8.649 0.000 -1.076 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 7 . 819 . 1 1 8 NH2 N N 8.055 0.456 -1.707 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 8 . 820 . 1 1 1 CYS C C 1.983 -1.936 -2.361 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 8 . 821 . 1 1 1 CYS CA C 1.678 -0.825 -1.364 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 8 . 822 . 1 1 1 CYS CB C 1.444 0.491 -2.106 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 8 . 823 . 1 1 1 CYS H1 H 2.911 0.327 -0.144 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 8 . 824 . 1 1 1 CYS H2 H 3.703 -0.970 -0.905 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 8 . 825 . 1 1 1 CYS H3 H 2.672 -1.256 0.415 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 8 . 826 . 1 1 1 CYS HA H 0.792 -1.082 -0.801 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 8 . 827 . 1 1 1 CYS HB2 H 1.279 0.290 -3.153 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 8 . 828 . 1 1 1 CYS HB3 H 0.578 0.987 -1.694 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 8 . 829 . 1 1 1 CYS N N 2.828 -0.669 -0.428 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 8 . 830 . 1 1 1 CYS O O 3.016 -1.918 -3.029 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 8 . 831 . 1 1 1 CYS SG S 2.896 1.557 -1.918 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 8 . 832 . 1 1 2 ARG C C 0.734 -3.673 -4.759 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 8 . 833 . 1 1 2 ARG CA C 1.259 -4.019 -3.371 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 8 . 834 . 1 1 2 ARG CB C 0.527 -5.247 -2.840 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 8 . 835 . 1 1 2 ARG CD C 2.279 -6.942 -2.255 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 8 . 836 . 1 1 2 ARG CG C 1.249 -6.514 -3.302 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 8 . 837 . 1 1 2 ARG CZ C 2.212 -8.004 -0.072 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 8 . 838 . 1 1 2 ARG H H 0.273 -2.869 -1.898 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 8 . 839 . 1 1 2 ARG HA H 2.308 -4.249 -3.444 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 8 . 840 . 1 1 2 ARG HB2 H 0.505 -5.214 -1.760 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 8 . 841 . 1 1 2 ARG HB3 H -0.484 -5.254 -3.219 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 8 . 842 . 1 1 2 ARG HD2 H 3.085 -7.467 -2.746 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 8 . 843 . 1 1 2 ARG HD3 H 2.675 -6.066 -1.762 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 8 . 844 . 1 1 2 ARG HE H 0.827 -8.284 -1.490 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 8 . 845 . 1 1 2 ARG HG2 H 0.524 -7.293 -3.435 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 8 . 846 . 1 1 2 ARG HG3 H 1.753 -6.332 -4.238 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 8 . 847 . 1 1 2 ARG HH11 H 0.790 -9.264 0.559 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 8 . 848 . 1 1 2 ARG HH12 H 2.056 -8.933 1.695 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 8 . 849 . 1 1 2 ARG HH21 H 3.761 -6.786 -0.428 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 8 . 850 . 1 1 2 ARG HH22 H 3.737 -7.530 1.136 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 8 . 851 . 1 1 2 ARG N N 1.077 -2.904 -2.455 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 8 . 852 . 1 1 2 ARG NE N 1.662 -7.821 -1.268 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 8 . 853 . 1 1 2 ARG NH1 N 1.641 -8.796 0.795 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 8 . 854 . 1 1 2 ARG NH2 N 3.324 -7.393 0.236 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 8 . 855 . 1 1 2 ARG O O 0.589 -2.501 -5.106 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 8 . 856 . 1 1 3 DTR C C 0.986 -3.765 -7.741 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 8 . 857 . 1 1 3 DTR CA C -0.046 -4.510 -6.897 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 8 . 858 . 1 1 3 DTR CB C -0.344 -5.869 -7.535 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 8 . 859 . 1 1 3 DTR CD1 C -0.163 -7.787 -5.898 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 8 . 860 . 1 1 3 DTR CD2 C 1.810 -7.268 -6.841 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 8 . 861 . 1 1 3 DTR CE2 C 2.055 -8.344 -5.956 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 8 . 862 . 1 1 3 DTR CE3 C 2.895 -6.748 -7.566 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 8 . 863 . 1 1 3 DTR CG C 0.393 -6.934 -6.788 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 8 . 864 . 1 1 3 DTR CH2 C 4.398 -8.353 -6.523 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 8 . 865 . 1 1 3 DTR CZ2 C 3.333 -8.882 -5.795 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 8 . 866 . 1 1 3 DTR CZ3 C 4.180 -7.290 -7.405 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 8 . 867 . 1 1 3 DTR H H 0.591 -5.608 -5.212 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 8 . 868 . 1 1 3 DTR HA H -0.956 -3.936 -6.854 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 8 . 869 . 1 1 3 DTR HB2 H -0.022 -5.862 -8.565 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 8 . 870 . 1 1 3 DTR HB3 H -1.406 -6.064 -7.489 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 8 . 871 . 1 1 3 DTR HD1 H -1.205 -7.809 -5.618 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 8 . 872 . 1 1 3 DTR HE1 H 0.680 -9.336 -4.746 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 8 . 873 . 1 1 3 DTR HE3 H 2.739 -5.928 -8.251 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 8 . 874 . 1 1 3 DTR HH2 H 5.391 -8.761 -6.404 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 8 . 875 . 1 1 3 DTR HZ2 H 3.499 -9.700 -5.114 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 8 . 876 . 1 1 3 DTR HZ3 H 5.005 -6.886 -7.963 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 8 . 877 . 1 1 3 DTR N N 0.455 -4.702 -5.546 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 8 . 878 . 1 1 3 DTR NE1 N 0.821 -8.625 -5.405 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 8 . 879 . 1 1 3 DTR O O 0.762 -3.489 -8.919 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 8 . 880 . 1 1 4 THR C C 4.530 -2.999 -7.076 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 8 . 881 . 1 1 4 THR CA C 3.201 -2.756 -7.811 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 8 . 882 . 1 1 4 THR CB C 2.909 -1.254 -7.852 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 8 . 883 . 1 1 4 THR CG2 C 2.306 -0.804 -6.521 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 8 . 884 . 1 1 4 THR H H 2.242 -3.713 -6.186 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 8 . 885 . 1 1 4 THR HA H 3.259 -3.120 -8.822 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 8 . 886 . 1 1 4 THR HB H 2.211 -1.046 -8.648 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 8 . 887 . 1 1 4 THR HG1 H 4.311 -0.594 -9.029 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 8 . 888 . 1 1 4 THR HG21 H 2.608 -1.484 -5.740 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 8 . 889 . 1 1 4 THR HG22 H 1.230 -0.798 -6.598 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 8 . 890 . 1 1 4 THR HG23 H 2.655 0.190 -6.286 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 8 . 891 . 1 1 4 THR N N 2.123 -3.457 -7.124 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 8 . 892 . 1 1 4 THR O O 4.676 -2.580 -5.927 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 8 . 893 . 1 1 4 THR OG1 O 4.119 -0.547 -8.089 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 8 . 894 . 1 1 5 PRO C C 7.728 -2.731 -7.020 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 8 . 895 . 1 1 5 PRO CA C 6.796 -3.941 -7.008 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 8 . 896 . 1 1 5 PRO CB C 7.386 -5.089 -7.823 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 8 . 897 . 1 1 5 PRO CD C 5.469 -4.222 -9.047 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 8 . 898 . 1 1 5 PRO CG C 6.817 -4.935 -9.195 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 8 . 899 . 1 1 5 PRO HA H 6.629 -4.272 -5.996 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 8 . 900 . 1 1 5 PRO HB2 H 8.464 -5.009 -7.851 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 8 . 901 . 1 1 5 PRO HB3 H 7.089 -6.039 -7.402 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 8 . 902 . 1 1 5 PRO HD2 H 5.379 -3.430 -9.778 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 8 . 903 . 1 1 5 PRO HD3 H 4.659 -4.924 -9.150 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 8 . 904 . 1 1 5 PRO HG2 H 7.486 -4.343 -9.806 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 8 . 905 . 1 1 5 PRO HG3 H 6.666 -5.904 -9.644 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 8 . 906 . 1 1 5 PRO N N 5.495 -3.665 -7.680 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 8 . 907 . 1 1 5 PRO O O 8.932 -2.862 -6.807 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 8 . 908 . 1 1 6 VAL C C 7.940 0.362 -5.949 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 8 . 909 . 1 1 6 VAL CA C 7.957 -0.332 -7.308 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 8 . 910 . 1 1 6 VAL CB C 7.412 0.616 -8.382 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 8 . 911 . 1 1 6 VAL CG1 C 6.317 1.504 -7.785 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 8 . 912 . 1 1 6 VAL CG2 C 8.549 1.496 -8.904 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 8 . 913 . 1 1 6 VAL H H 6.198 -1.509 -7.435 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 8 . 914 . 1 1 6 VAL HA H 8.976 -0.586 -7.556 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 8 . 915 . 1 1 6 VAL HB H 7.001 0.037 -9.195 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 8 . 916 . 1 1 6 VAL HG11 H 6.769 2.308 -7.225 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 8 . 917 . 1 1 6 VAL HG12 H 5.689 0.916 -7.132 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 8 . 918 . 1 1 6 VAL HG13 H 5.715 1.917 -8.583 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 8 . 919 . 1 1 6 VAL HG21 H 9.251 1.689 -8.107 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 8 . 920 . 1 1 6 VAL HG22 H 8.145 2.432 -9.262 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 8 . 921 . 1 1 6 VAL HG23 H 9.054 0.990 -9.714 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 8 . 922 . 1 1 6 VAL N N 7.162 -1.555 -7.271 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 8 . 923 . 1 1 6 VAL O O 8.870 1.088 -5.600 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 8 . 924 . 1 1 7 CYS C C 7.013 -0.292 -2.773 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 8 . 925 . 1 1 7 CYS CA C 6.743 0.738 -3.866 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 8 . 926 . 1 1 7 CYS CB C 5.334 1.310 -3.693 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 8 . 927 . 1 1 7 CYS H H 6.164 -0.457 -5.517 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 8 . 928 . 1 1 7 CYS HA H 7.459 1.541 -3.774 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 8 . 929 . 1 1 7 CYS HB2 H 5.401 2.345 -3.392 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 8 . 930 . 1 1 7 CYS HB3 H 4.800 1.241 -4.629 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 8 . 931 . 1 1 7 CYS N N 6.874 0.131 -5.186 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 8 . 932 . 1 1 7 CYS O O 7.565 0.039 -1.724 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 8 . 933 . 1 1 7 CYS SG S 4.451 0.369 -2.424 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 8 . 934 . 1 1 8 NH2 HN1 H 6.214 -1.796 -3.793 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 8 . 935 . 1 1 8 NH2 HN2 H 6.822 -2.201 -2.262 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 8 . 936 . 1 1 8 NH2 N N 6.654 -1.533 -2.959 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 9 . 937 . 1 1 1 CYS C C 1.977 -1.858 -2.464 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 9 . 938 . 1 1 1 CYS CA C 1.693 -0.752 -1.455 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 9 . 939 . 1 1 1 CYS CB C 2.805 -0.705 -0.405 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 9 . 940 . 1 1 1 CYS H1 H 0.440 -0.707 0.208 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 9 . 941 . 1 1 1 CYS H2 H 0.186 -2.038 -0.816 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 9 . 942 . 1 1 1 CYS H3 H -0.366 -0.497 -1.270 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 9 . 943 . 1 1 1 CYS HA H 1.643 0.197 -1.968 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 9 . 944 . 1 1 1 CYS HB2 H 2.369 -0.594 0.577 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 9 . 945 . 1 1 1 CYS HB3 H 3.375 -1.621 -0.445 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 9 . 946 . 1 1 1 CYS N N 0.390 -1.019 -0.782 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 9 . 947 . 1 1 1 CYS O O 2.929 -1.774 -3.239 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 9 . 948 . 1 1 1 CYS SG S 3.897 0.699 -0.743 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 9 . 949 . 1 1 2 ARG C C 0.766 -3.675 -4.738 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 9 . 950 . 1 1 2 ARG CA C 1.321 -4.014 -3.361 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 9 . 951 . 1 1 2 ARG CB C 0.612 -5.247 -2.813 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 9 . 952 . 1 1 2 ARG CD C 2.389 -6.928 -2.257 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 9 . 953 . 1 1 2 ARG CG C 1.337 -6.509 -3.286 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 9 . 954 . 1 1 2 ARG CZ C 2.377 -7.997 -0.077 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 9 . 955 . 1 1 2 ARG H H 0.408 -2.913 -1.804 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 9 . 956 . 1 1 2 ARG HA H 2.371 -4.233 -3.455 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 9 . 957 . 1 1 2 ARG HB2 H 0.612 -5.213 -1.733 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 9 . 958 . 1 1 2 ARG HB3 H -0.406 -5.265 -3.171 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 9 . 959 . 1 1 2 ARG HD2 H 3.190 -7.448 -2.763 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 9 . 960 . 1 1 2 ARG HD3 H 2.787 -6.048 -1.772 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 9 . 961 . 1 1 2 ARG HE H 0.956 -8.272 -1.461 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 9 . 962 . 1 1 2 ARG HG2 H 0.618 -7.293 -3.408 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 9 . 963 . 1 1 2 ARG HG3 H 1.823 -6.323 -4.231 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 9 . 964 . 1 1 2 ARG HH11 H 0.972 -9.260 0.586 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 9 . 965 . 1 1 2 ARG HH12 H 2.265 -8.932 1.689 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 9 . 966 . 1 1 2 ARG HH21 H 3.915 -6.777 -0.468 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 9 . 967 . 1 1 2 ARG HH22 H 3.932 -7.526 1.093 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 9 . 968 . 1 1 2 ARG N N 1.148 -2.896 -2.446 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 9 . 969 . 1 1 2 ARG NE N 1.797 -7.810 -1.258 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 9 . 970 . 1 1 2 ARG NH1 N 1.829 -8.791 0.801 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 9 . 971 . 1 1 2 ARG NH2 N 3.495 -7.386 0.205 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 9 . 972 . 1 1 2 ARG O O 0.603 -2.506 -5.084 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 9 . 973 . 1 1 3 DTR C C 0.976 -3.772 -7.721 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 9 . 974 . 1 1 3 DTR CA C -0.041 -4.520 -6.862 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 9 . 975 . 1 1 3 DTR CB C -0.343 -5.881 -7.493 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 9 . 976 . 1 1 3 DTR CD1 C -0.127 -7.795 -5.855 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 9 . 977 . 1 1 3 DTR CD2 C 1.828 -7.275 -6.837 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 9 . 978 . 1 1 3 DTR CE2 C 2.090 -8.349 -5.954 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 9 . 979 . 1 1 3 DTR CE3 C 2.899 -6.755 -7.584 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 9 . 980 . 1 1 3 DTR CG C 0.411 -6.943 -6.757 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 9 . 981 . 1 1 3 DTR CH2 C 4.423 -8.357 -6.564 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 9 . 982 . 1 1 3 DTR CZ2 C 3.371 -8.886 -5.817 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 9 . 983 . 1 1 3 DTR CZ3 C 4.187 -7.295 -7.445 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 9 . 984 . 1 1 3 DTR H H 0.638 -5.613 -5.190 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 9 . 985 . 1 1 3 DTR HA H -0.951 -3.950 -6.804 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 9 . 986 . 1 1 3 DTR HB2 H -0.038 -5.875 -8.528 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 9 . 987 . 1 1 3 DTR HB3 H -1.402 -6.080 -7.429 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 9 . 988 . 1 1 3 DTR HD1 H -1.163 -7.817 -5.556 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 9 . 989 . 1 1 3 DTR HE1 H 0.740 -9.341 -4.716 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 9 . 990 . 1 1 3 DTR HE3 H 2.730 -5.936 -8.267 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 9 . 991 . 1 1 3 DTR HH2 H 5.417 -8.764 -6.465 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 9 . 992 . 1 1 3 DTR HZ2 H 3.551 -9.703 -5.137 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 9 . 993 . 1 1 3 DTR HZ3 H 5.001 -6.891 -8.020 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 9 . 994 . 1 1 3 DTR N N 0.485 -4.708 -5.520 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 9 . 995 . 1 1 3 DTR NE1 N 0.867 -8.631 -5.380 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 9 . 996 . 1 1 3 DTR O O 0.732 -3.496 -8.896 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 9 . 997 . 1 1 4 THR C C 4.524 -2.998 -7.102 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 9 . 998 . 1 1 4 THR CA C 3.186 -2.755 -7.820 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 9 . 999 . 1 1 4 THR CB C 2.891 -1.252 -7.854 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 9 . 1000 . 1 1 4 THR CG2 C 2.308 -0.807 -6.512 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 9 . 1001 . 1 1 4 THR H H 2.252 -3.716 -6.183 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 9 . 1002 . 1 1 4 THR HA H 3.232 -3.117 -8.832 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 9 . 1003 . 1 1 4 THR HB H 2.180 -1.045 -8.638 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 9 . 1004 . 1 1 4 THR HG1 H 3.932 0.067 -8.832 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 9 . 1005 . 1 1 4 THR HG21 H 2.664 0.186 -6.278 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 9 . 1006 . 1 1 4 THR HG22 H 2.618 -1.492 -5.739 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 9 . 1007 . 1 1 4 THR HG23 H 1.229 -0.797 -6.575 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 9 . 1008 . 1 1 4 THR N N 2.120 -3.460 -7.120 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 9 . 1009 . 1 1 4 THR O O 4.684 -2.585 -5.953 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 9 . 1010 . 1 1 4 THR OG1 O 4.095 -0.543 -8.109 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 9 . 1011 . 1 1 5 PRO C C 7.720 -2.724 -7.073 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 9 . 1012 . 1 1 5 PRO CA C 6.794 -3.937 -7.065 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 9 . 1013 . 1 1 5 PRO CB C 7.378 -5.075 -7.897 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 9 . 1014 . 1 1 5 PRO CD C 5.442 -4.210 -9.090 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 9 . 1015 . 1 1 5 PRO CG C 6.793 -4.910 -9.261 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 9 . 1016 . 1 1 5 PRO HA H 6.637 -4.279 -6.054 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 9 . 1017 . 1 1 5 PRO HB2 H 8.455 -4.988 -7.935 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 9 . 1018 . 1 1 5 PRO HB3 H 7.090 -6.030 -7.482 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 9 . 1019 . 1 1 5 PRO HD2 H 5.337 -3.414 -9.815 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 9 . 1020 . 1 1 5 PRO HD3 H 4.636 -4.918 -9.184 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 9 . 1021 . 1 1 5 PRO HG2 H 7.452 -4.307 -9.872 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 9 . 1022 . 1 1 5 PRO HG3 H 6.644 -5.876 -9.718 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 9 . 1023 . 1 1 5 PRO N N 5.483 -3.659 -7.720 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 9 . 1024 . 1 1 5 PRO O O 8.936 -2.860 -6.929 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 9 . 1025 . 1 1 6 VAL C C 7.871 0.388 -5.912 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 9 . 1026 . 1 1 6 VAL CA C 7.931 -0.315 -7.265 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 9 . 1027 . 1 1 6 VAL CB C 7.410 0.622 -8.360 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 9 . 1028 . 1 1 6 VAL CG1 C 6.300 1.516 -7.799 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 9 . 1029 . 1 1 6 VAL CG2 C 8.559 1.499 -8.864 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 9 . 1030 . 1 1 6 VAL H H 6.170 -1.493 -7.351 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 9 . 1031 . 1 1 6 VAL HA H 8.958 -0.565 -7.483 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 9 . 1032 . 1 1 6 VAL HB H 7.020 0.035 -9.178 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 9 . 1033 . 1 1 6 VAL HG11 H 6.738 2.325 -7.234 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 9 . 1034 . 1 1 6 VAL HG12 H 5.657 0.933 -7.156 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 9 . 1035 . 1 1 6 VAL HG13 H 5.719 1.920 -8.614 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 9 . 1036 . 1 1 6 VAL HG21 H 8.159 2.404 -9.296 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 9 . 1037 . 1 1 6 VAL HG22 H 9.121 0.960 -9.613 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 9 . 1038 . 1 1 6 VAL HG23 H 9.209 1.750 -8.039 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 9 . 1039 . 1 1 6 VAL N N 7.142 -1.542 -7.242 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 9 . 1040 . 1 1 6 VAL O O 8.717 1.227 -5.600 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 9 . 1041 . 1 1 7 CYS C C 8.054 0.787 -3.101 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 9 . 1042 . 1 1 7 CYS CA C 6.704 0.647 -3.796 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 9 . 1043 . 1 1 7 CYS CB C 5.772 -0.211 -2.938 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 9 . 1044 . 1 1 7 CYS H H 6.221 -0.631 -5.417 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 9 . 1045 . 1 1 7 CYS HA H 6.267 1.627 -3.913 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 9 . 1046 . 1 1 7 CYS HB2 H 5.613 -1.164 -3.421 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 9 . 1047 . 1 1 7 CYS HB3 H 6.219 -0.368 -1.968 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 9 . 1048 . 1 1 7 CYS N N 6.866 0.042 -5.115 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 9 . 1049 . 1 1 7 CYS O O 8.859 -0.145 -3.104 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 9 . 1050 . 1 1 7 CYS SG S 4.184 0.636 -2.742 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 9 . 1051 . 1 1 8 NH2 HN1 H 7.711 2.647 -2.498 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 9 . 1052 . 1 1 8 NH2 HN2 H 9.218 2.005 -2.051 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 9 . 1053 . 1 1 8 NH2 N N 8.353 1.906 -2.500 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 10 . 1054 . 1 1 1 CYS C C 2.084 -2.077 -2.250 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 10 . 1055 . 1 1 1 CYS CA C 1.837 -1.061 -1.140 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 10 . 1056 . 1 1 1 CYS CB C 1.377 0.269 -1.742 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 10 . 1057 . 1 1 1 CYS H1 H 3.888 -0.715 -1.038 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 10 . 1058 . 1 1 1 CYS H2 H 3.283 -1.676 0.226 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 10 . 1059 . 1 1 1 CYS H3 H 3.003 0.000 0.220 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 10 . 1060 . 1 1 1 CYS HA H 1.074 -1.436 -0.475 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 10 . 1061 . 1 1 1 CYS HB2 H 0.977 0.097 -2.731 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 10 . 1062 . 1 1 1 CYS HB3 H 0.612 0.702 -1.115 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 10 . 1063 . 1 1 1 CYS N N 3.098 -0.847 -0.376 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 10 . 1064 . 1 1 1 CYS O O 3.067 -1.981 -2.985 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 10 . 1065 . 1 1 1 CYS SG S 2.784 1.402 -1.850 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 10 . 1066 . 1 1 2 ARG C C 0.834 -3.570 -4.735 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 10 . 1067 . 1 1 2 ARG CA C 1.317 -4.081 -3.385 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 10 . 1068 . 1 1 2 ARG CB C 0.507 -5.307 -2.985 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 10 . 1069 . 1 1 2 ARG CD C 2.173 -7.138 -2.597 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 10 . 1070 . 1 1 2 ARG CG C 1.153 -6.559 -3.579 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 10 . 1071 . 1 1 2 ARG CZ C 2.122 -8.491 -0.581 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 10 . 1072 . 1 1 2 ARG H H 0.425 -3.080 -1.750 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 10 . 1073 . 1 1 2 ARG HA H 2.350 -4.367 -3.472 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 10 . 1074 . 1 1 2 ARG HB2 H 0.481 -5.388 -1.908 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 10 . 1075 . 1 1 2 ARG HB3 H -0.500 -5.213 -3.362 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 10 . 1076 . 1 1 2 ARG HD2 H 2.953 -7.640 -3.153 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 10 . 1077 . 1 1 2 ARG HD3 H 2.609 -6.337 -2.018 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 10 . 1078 . 1 1 2 ARG HE H 0.644 -8.447 -1.931 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 10 . 1079 . 1 1 2 ARG HG2 H 0.387 -7.284 -3.772 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 10 . 1080 . 1 1 2 ARG HG3 H 1.654 -6.312 -4.502 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 10 . 1081 . 1 1 2 ARG HH11 H 0.622 -9.700 -0.037 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 10 . 1082 . 1 1 2 ARG HH12 H 1.970 -9.645 1.048 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 10 . 1083 . 1 1 2 ARG HH21 H 3.757 -7.373 -0.867 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 10 . 1084 . 1 1 2 ARG HH22 H 3.746 -8.327 0.579 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 10 . 1085 . 1 1 2 ARG N N 1.187 -3.051 -2.364 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 10 . 1086 . 1 1 2 ARG NE N 1.529 -8.092 -1.702 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 10 . 1087 . 1 1 2 ARG NH1 N 1.524 -9.345 0.205 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 10 . 1088 . 1 1 2 ARG NH2 N 3.300 -8.028 -0.266 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 10 . 1089 . 1 1 2 ARG O O 0.831 -2.366 -4.992 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 10 . 1090 . 1 1 3 DTR C C 1.052 -3.383 -7.680 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 10 . 1091 . 1 1 3 DTR CA C -0.035 -4.140 -6.923 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 10 . 1092 . 1 1 3 DTR CB C -0.421 -5.403 -7.698 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 10 . 1093 . 1 1 3 DTR CD1 C -0.380 -7.475 -6.251 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 10 . 1094 . 1 1 3 DTR CD2 C 1.612 -7.038 -7.193 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 10 . 1095 . 1 1 3 DTR CE2 C 1.779 -8.209 -6.418 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 10 . 1096 . 1 1 3 DTR CE3 C 2.723 -6.544 -7.893 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 10 . 1097 . 1 1 3 DTR CG C 0.233 -6.591 -7.070 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 10 . 1098 . 1 1 3 DTR CH2 C 4.103 -8.360 -7.047 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 10 . 1099 . 1 1 3 DTR CZ2 C 3.009 -8.867 -6.344 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 10 . 1100 . 1 1 3 DTR CZ3 C 3.960 -7.202 -7.820 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 10 . 1101 . 1 1 3 DTR H H 0.469 -5.435 -5.337 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 10 . 1102 . 1 1 3 DTR HA H -0.905 -3.513 -6.824 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 10 . 1103 . 1 1 3 DTR HB2 H -0.093 -5.311 -8.723 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 10 . 1104 . 1 1 3 DTR HB3 H -1.495 -5.526 -7.673 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 10 . 1105 . 1 1 3 DTR HD1 H -1.415 -7.435 -5.947 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 10 . 1106 . 1 1 3 DTR HE1 H 0.345 -9.194 -5.272 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 10 . 1107 . 1 1 3 DTR HE3 H 2.623 -5.652 -8.493 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 10 . 1108 . 1 1 3 DTR HH2 H 5.058 -8.861 -6.995 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 10 . 1109 . 1 1 3 DTR HZ2 H 3.115 -9.758 -5.746 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 10 . 1110 . 1 1 3 DTR HZ3 H 4.804 -6.815 -8.361 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 10 . 1111 . 1 1 3 DTR N N 0.437 -4.497 -5.597 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 10 . 1112 . 1 1 3 DTR NE1 N 0.536 -8.437 -5.865 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 10 . 1113 . 1 1 3 DTR O O 0.838 -2.920 -8.800 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 10 . 1114 . 1 1 4 THR C C 4.657 -3.014 -6.979 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 10 . 1115 . 1 1 4 THR CA C 3.349 -2.567 -7.651 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 10 . 1116 . 1 1 4 THR CB C 3.179 -1.058 -7.458 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 10 . 1117 . 1 1 4 THR CG2 C 2.778 -0.409 -8.782 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 10 . 1118 . 1 1 4 THR H H 2.322 -3.661 -6.160 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 10 . 1119 . 1 1 4 THR HA H 3.373 -2.781 -8.705 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 10 . 1120 . 1 1 4 THR HB H 4.111 -0.631 -7.121 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 10 . 1121 . 1 1 4 THR HG1 H 2.586 -0.810 -5.622 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 10 . 1122 . 1 1 4 THR HG21 H 3.544 -0.593 -9.522 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 10 . 1123 . 1 1 4 THR HG22 H 2.663 0.656 -8.641 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 10 . 1124 . 1 1 4 THR HG23 H 1.843 -0.828 -9.120 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 10 . 1125 . 1 1 4 THR N N 2.219 -3.267 -7.050 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 10 . 1126 . 1 1 4 THR O O 4.852 -2.751 -5.792 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 10 . 1127 . 1 1 4 THR OG1 O 2.170 -0.818 -6.487 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 10 . 1128 . 1 1 5 PRO C C 7.863 -3.017 -6.970 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 10 . 1129 . 1 1 5 PRO CA C 6.837 -4.141 -7.072 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 10 . 1130 . 1 1 5 PRO CB C 7.315 -5.232 -8.027 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 10 . 1131 . 1 1 5 PRO CD C 5.467 -4.066 -9.101 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 10 . 1132 . 1 1 5 PRO CG C 6.743 -4.874 -9.360 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 10 . 1133 . 1 1 5 PRO HA H 6.655 -4.570 -6.100 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 10 . 1134 . 1 1 5 PRO HB2 H 8.396 -5.240 -8.071 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 10 . 1135 . 1 1 5 PRO HB3 H 6.946 -6.196 -7.712 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 10 . 1136 . 1 1 5 PRO HD2 H 5.443 -3.188 -9.732 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 10 . 1137 . 1 1 5 PRO HD3 H 4.595 -4.676 -9.269 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 10 . 1138 . 1 1 5 PRO HG2 H 7.453 -4.279 -9.917 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 10 . 1139 . 1 1 5 PRO HG3 H 6.498 -5.769 -9.910 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 10 . 1140 . 1 1 5 PRO N N 5.555 -3.681 -7.679 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 10 . 1141 . 1 1 5 PRO O O 9.052 -3.267 -6.767 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 10 . 1142 . 1 1 6 VAL C C 7.784 0.351 -5.962 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 10 . 1143 . 1 1 6 VAL CA C 8.272 -0.617 -7.034 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 10 . 1144 . 1 1 6 VAL CB C 8.313 0.096 -8.386 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 10 . 1145 . 1 1 6 VAL CG1 C 6.910 0.589 -8.747 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 10 . 1146 . 1 1 6 VAL CG2 C 9.266 1.291 -8.304 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 10 . 1147 . 1 1 6 VAL H H 6.435 -1.648 -7.271 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 10 . 1148 . 1 1 6 VAL HA H 9.269 -0.942 -6.783 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 10 . 1149 . 1 1 6 VAL HB H 8.659 -0.592 -9.145 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 10 . 1150 . 1 1 6 VAL HG11 H 6.196 0.186 -8.045 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 10 . 1151 . 1 1 6 VAL HG12 H 6.660 0.261 -9.746 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 10 . 1152 . 1 1 6 VAL HG13 H 6.887 1.668 -8.706 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 10 . 1153 . 1 1 6 VAL HG21 H 8.773 2.110 -7.804 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 10 . 1154 . 1 1 6 VAL HG22 H 9.550 1.595 -9.300 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 10 . 1155 . 1 1 6 VAL HG23 H 10.149 1.009 -7.748 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 10 . 1156 . 1 1 6 VAL N N 7.393 -1.780 -7.111 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 10 . 1157 . 1 1 6 VAL O O 8.480 1.303 -5.606 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 10 . 1158 . 1 1 7 CYS C C 7.070 1.342 -3.390 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 10 . 1159 . 1 1 7 CYS CA C 6.011 0.961 -4.419 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 10 . 1160 . 1 1 7 CYS CB C 4.856 0.239 -3.722 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 10 . 1161 . 1 1 7 CYS H H 6.072 -0.669 -5.773 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 10 . 1162 . 1 1 7 CYS HA H 5.631 1.860 -4.881 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 10 . 1163 . 1 1 7 CYS HB2 H 4.659 -0.696 -4.226 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 10 . 1164 . 1 1 7 CYS HB3 H 5.121 0.046 -2.692 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 10 . 1165 . 1 1 7 CYS N N 6.582 0.104 -5.451 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 10 . 1166 . 1 1 7 CYS O O 7.501 0.504 -2.597 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 10 . 1167 . 1 1 7 CYS SG S 3.374 1.278 -3.777 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 10 . 1168 . 1 1 8 NH2 HN1 H 7.175 3.233 -3.987 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 10 . 1169 . 1 1 8 NH2 HN2 H 8.200 2.821 -2.698 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 10 . 1170 . 1 1 8 NH2 N N 7.519 2.567 -3.356 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 11 . 1171 . 1 1 1 CYS C C 1.983 -1.931 -2.353 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 11 . 1172 . 1 1 1 CYS CA C 1.671 -0.825 -1.352 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 11 . 1173 . 1 1 1 CYS CB C 1.416 0.490 -2.090 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 11 . 1174 . 1 1 1 CYS H1 H 2.913 0.344 -0.156 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 11 . 1175 . 1 1 1 CYS H2 H 3.699 -0.967 -0.899 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 11 . 1176 . 1 1 1 CYS H3 H 2.672 -1.230 0.429 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 11 . 1177 . 1 1 1 CYS HA H 0.792 -1.094 -0.783 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 11 . 1178 . 1 1 1 CYS HB2 H 1.231 0.285 -3.135 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 11 . 1179 . 1 1 1 CYS HB3 H 0.555 0.982 -1.663 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 11 . 1180 . 1 1 1 CYS N N 2.826 -0.656 -0.425 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 11 . 1181 . 1 1 1 CYS O O 3.015 -1.902 -3.024 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 11 . 1182 . 1 1 1 CYS SG S 2.865 1.563 -1.933 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 11 . 1183 . 1 1 2 ARG C C 0.742 -3.668 -4.754 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 11 . 1184 . 1 1 2 ARG CA C 1.272 -4.016 -3.369 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 11 . 1185 . 1 1 2 ARG CB C 0.550 -5.249 -2.839 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 11 . 1186 . 1 1 2 ARG CD C 2.313 -6.938 -2.273 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 11 . 1187 . 1 1 2 ARG CG C 1.275 -6.510 -3.311 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 11 . 1188 . 1 1 2 ARG CZ C 2.248 -7.983 -0.083 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 11 . 1189 . 1 1 2 ARG H H 0.282 -2.878 -1.889 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 11 . 1190 . 1 1 2 ARG HA H 2.322 -4.238 -3.444 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 11 . 1191 . 1 1 2 ARG HB2 H 0.534 -5.222 -1.760 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 11 . 1192 . 1 1 2 ARG HB3 H -0.463 -5.260 -3.213 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 11 . 1193 . 1 1 2 ARG HD2 H 3.119 -7.459 -2.771 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 11 . 1194 . 1 1 2 ARG HD3 H 2.709 -6.063 -1.779 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 11 . 1195 . 1 1 2 ARG HE H 0.886 -8.308 -1.513 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 11 . 1196 . 1 1 2 ARG HG2 H 0.555 -7.292 -3.446 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 11 . 1197 . 1 1 2 ARG HG3 H 1.773 -6.321 -4.250 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 11 . 1198 . 1 1 2 ARG HH11 H 0.851 -9.273 0.543 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 11 . 1199 . 1 1 2 ARG HH12 H 2.096 -8.902 1.690 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 11 . 1200 . 1 1 2 ARG HH21 H 3.769 -6.729 -0.432 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 11 . 1201 . 1 1 2 ARG HH22 H 3.748 -7.462 1.137 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 11 . 1202 . 1 1 2 ARG N N 1.084 -2.905 -2.449 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 11 . 1203 . 1 1 2 ARG NE N 1.707 -7.823 -1.286 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 11 . 1204 . 1 1 2 ARG NH1 N 1.688 -8.782 0.784 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 11 . 1205 . 1 1 2 ARG NH2 N 3.340 -7.342 0.232 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 11 . 1206 . 1 1 2 ARG O O 0.594 -2.496 -5.098 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 11 . 1207 . 1 1 3 DTR C C 0.990 -3.756 -7.737 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 11 . 1208 . 1 1 3 DTR CA C -0.041 -4.501 -6.894 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 11 . 1209 . 1 1 3 DTR CB C -0.344 -5.856 -7.534 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 11 . 1210 . 1 1 3 DTR CD1 C -0.159 -7.779 -5.903 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 11 . 1211 . 1 1 3 DTR CD2 C 1.809 -7.265 -6.860 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 11 . 1212 . 1 1 3 DTR CE2 C 2.056 -8.345 -5.980 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 11 . 1213 . 1 1 3 DTR CE3 C 2.891 -6.749 -7.592 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 11 . 1214 . 1 1 3 DTR CG C 0.395 -6.925 -6.794 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 11 . 1215 . 1 1 3 DTR CH2 C 4.395 -8.362 -6.565 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 11 . 1216 . 1 1 3 DTR CZ2 C 3.334 -8.889 -5.830 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 11 . 1217 . 1 1 3 DTR CZ3 C 4.176 -7.296 -7.443 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 11 . 1218 . 1 1 3 DTR H H 0.602 -5.603 -5.213 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 11 . 1219 . 1 1 3 DTR HA H -0.950 -3.924 -6.846 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 11 . 1220 . 1 1 3 DTR HB2 H -0.028 -5.847 -8.566 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 11 . 1221 . 1 1 3 DTR HB3 H -1.406 -6.051 -7.484 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 11 . 1222 . 1 1 3 DTR HD1 H -1.198 -7.797 -5.615 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 11 . 1223 . 1 1 3 DTR HE1 H 0.687 -9.335 -4.762 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 11 . 1224 . 1 1 3 DTR HE3 H 2.734 -5.926 -8.273 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 11 . 1225 . 1 1 3 DTR HH2 H 5.387 -8.775 -6.456 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 11 . 1226 . 1 1 3 DTR HZ2 H 3.500 -9.710 -5.152 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 11 . 1227 . 1 1 3 DTR HZ3 H 4.997 -6.893 -8.006 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 11 . 1228 . 1 1 3 DTR N N 0.463 -4.696 -5.544 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 11 . 1229 . 1 1 3 DTR NE1 N 0.826 -8.623 -5.421 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 11 . 1230 . 1 1 3 DTR O O 0.765 -3.479 -8.915 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 11 . 1231 . 1 1 4 THR C C 4.535 -2.999 -7.080 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 11 . 1232 . 1 1 4 THR CA C 3.205 -2.747 -7.809 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 11 . 1233 . 1 1 4 THR CB C 2.918 -1.243 -7.839 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 11 . 1234 . 1 1 4 THR CG2 C 2.323 -0.801 -6.502 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 11 . 1235 . 1 1 4 THR H H 2.247 -3.704 -6.184 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 11 . 1236 . 1 1 4 THR HA H 3.258 -3.105 -8.822 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 11 . 1237 . 1 1 4 THR HB H 2.217 -1.029 -8.630 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 11 . 1238 . 1 1 4 THR HG1 H 4.720 -1.122 -8.559 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 11 . 1239 . 1 1 4 THR HG21 H 1.245 -0.785 -6.576 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 11 . 1240 . 1 1 4 THR HG22 H 2.681 0.188 -6.259 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 11 . 1241 . 1 1 4 THR HG23 H 2.620 -1.492 -5.728 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 11 . 1242 . 1 1 4 THR N N 2.127 -3.448 -7.121 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 11 . 1243 . 1 1 4 THR O O 4.688 -2.590 -5.929 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 11 . 1244 . 1 1 4 THR OG1 O 4.129 -0.539 -8.078 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 11 . 1245 . 1 1 5 PRO C C 7.734 -2.744 -7.030 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 11 . 1246 . 1 1 5 PRO CA C 6.798 -3.951 -7.026 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 11 . 1247 . 1 1 5 PRO CB C 7.381 -5.095 -7.851 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 11 . 1248 . 1 1 5 PRO CD C 5.463 -4.213 -9.062 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 11 . 1249 . 1 1 5 PRO CG C 6.808 -4.929 -9.220 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 11 . 1250 . 1 1 5 PRO HA H 6.632 -4.289 -6.015 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 11 . 1251 . 1 1 5 PRO HB2 H 8.459 -5.019 -7.881 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 11 . 1252 . 1 1 5 PRO HB3 H 7.082 -6.047 -7.437 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 11 . 1253 . 1 1 5 PRO HD2 H 5.373 -3.416 -9.789 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 11 . 1254 . 1 1 5 PRO HD3 H 4.651 -4.913 -9.165 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 11 . 1255 . 1 1 5 PRO HG2 H 7.477 -4.334 -9.828 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 11 . 1256 . 1 1 5 PRO HG3 H 6.653 -5.894 -9.676 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 11 . 1257 . 1 1 5 PRO N N 5.495 -3.666 -7.691 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 11 . 1258 . 1 1 5 PRO O O 8.939 -2.882 -6.818 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 11 . 1259 . 1 1 6 VAL C C 7.937 0.353 -5.939 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 11 . 1260 . 1 1 6 VAL CA C 7.974 -0.343 -7.297 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 11 . 1261 . 1 1 6 VAL CB C 7.452 0.604 -8.381 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 11 . 1262 . 1 1 6 VAL CG1 C 6.357 1.508 -7.804 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 11 . 1263 . 1 1 6 VAL CG2 C 8.604 1.470 -8.896 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 11 . 1264 . 1 1 6 VAL H H 6.210 -1.512 -7.432 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 11 . 1265 . 1 1 6 VAL HA H 8.997 -0.603 -7.527 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 11 . 1266 . 1 1 6 VAL HB H 7.044 0.025 -9.197 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 11 . 1267 . 1 1 6 VAL HG11 H 5.774 1.924 -8.612 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 11 . 1268 . 1 1 6 VAL HG12 H 6.812 2.309 -7.240 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 11 . 1269 . 1 1 6 VAL HG13 H 5.714 0.930 -7.157 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 11 . 1270 . 1 1 6 VAL HG21 H 9.202 1.805 -8.062 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 11 . 1271 . 1 1 6 VAL HG22 H 8.205 2.326 -9.420 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 11 . 1272 . 1 1 6 VAL HG23 H 9.217 0.889 -9.569 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 11 . 1273 . 1 1 6 VAL N N 7.174 -1.563 -7.270 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 11 . 1274 . 1 1 6 VAL O O 8.864 1.078 -5.578 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 11 . 1275 . 1 1 7 CYS C C 6.980 -0.285 -2.779 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 11 . 1276 . 1 1 7 CYS CA C 6.709 0.737 -3.878 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 11 . 1277 . 1 1 7 CYS CB C 5.293 1.296 -3.720 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 11 . 1278 . 1 1 7 CYS H H 6.152 -0.459 -5.536 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 11 . 1279 . 1 1 7 CYS HA H 7.415 1.549 -3.784 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 11 . 1280 . 1 1 7 CYS HB2 H 5.345 2.339 -3.443 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 11 . 1281 . 1 1 7 CYS HB3 H 4.761 1.197 -4.655 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 11 . 1282 . 1 1 7 CYS N N 6.859 0.128 -5.194 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 11 . 1283 . 1 1 7 CYS O O 6.798 -1.485 -2.983 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 11 . 1284 . 1 1 7 CYS SG S 4.420 0.373 -2.430 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 11 . 1285 . 1 1 8 NH2 HN1 H 7.555 1.078 -1.453 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 11 . 1286 . 1 1 8 NH2 HN2 H 7.587 -0.527 -0.904 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 11 . 1287 . 1 1 8 NH2 N N 7.409 0.122 -1.616 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 12 . 1288 . 1 1 1 CYS C C 2.083 -2.068 -2.312 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 12 . 1289 . 1 1 1 CYS CA C 1.843 -1.005 -1.246 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 12 . 1290 . 1 1 1 CYS CB C 1.351 0.287 -1.899 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 12 . 1291 . 1 1 1 CYS H1 H 3.479 -1.624 -0.115 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 12 . 1292 . 1 1 1 CYS H2 H 2.940 -0.054 0.247 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 12 . 1293 . 1 1 1 CYS H3 H 3.817 -0.346 -1.178 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 12 . 1294 . 1 1 1 CYS HA H 1.100 -1.360 -0.547 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 12 . 1295 . 1 1 1 CYS HB2 H 0.813 0.050 -2.805 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 12 . 1296 . 1 1 1 CYS HB3 H 0.695 0.808 -1.217 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 12 . 1297 . 1 1 1 CYS N N 3.115 -0.737 -0.518 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 12 . 1298 . 1 1 1 CYS O O 3.084 -2.028 -3.027 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 12 . 1299 . 1 1 1 CYS SG S 2.768 1.341 -2.297 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 12 . 1300 . 1 1 2 ARG C C 0.804 -3.619 -4.762 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 12 . 1301 . 1 1 2 ARG CA C 1.279 -4.085 -3.393 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 12 . 1302 . 1 1 2 ARG CB C 0.460 -5.290 -2.950 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 12 . 1303 . 1 1 2 ARG CD C 2.115 -7.114 -2.485 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 12 . 1304 . 1 1 2 ARG CG C 1.102 -6.567 -3.492 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 12 . 1305 . 1 1 2 ARG CZ C 2.017 -8.341 -0.392 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 12 . 1306 . 1 1 2 ARG H H 0.382 -3.000 -1.816 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 12 . 1307 . 1 1 2 ARG HA H 2.311 -4.380 -3.469 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 12 . 1308 . 1 1 2 ARG HB2 H 0.430 -5.328 -1.871 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 12 . 1309 . 1 1 2 ARG HB3 H -0.544 -5.204 -3.336 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 12 . 1310 . 1 1 2 ARG HD2 H 2.896 -7.639 -3.017 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 12 . 1311 . 1 1 2 ARG HD3 H 2.552 -6.294 -1.933 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 12 . 1312 . 1 1 2 ARG HE H 0.600 -8.430 -1.802 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 12 . 1313 . 1 1 2 ARG HG2 H 0.333 -7.295 -3.661 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 12 . 1314 . 1 1 2 ARG HG3 H 1.607 -6.360 -4.422 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 12 . 1315 . 1 1 2 ARG HH11 H 0.535 -9.566 0.163 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 12 . 1316 . 1 1 2 ARG HH12 H 1.832 -9.398 1.299 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 12 . 1317 . 1 1 2 ARG HH21 H 3.627 -7.187 -0.677 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 12 . 1318 . 1 1 2 ARG HH22 H 3.583 -8.051 0.823 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 12 . 1319 . 1 1 2 ARG N N 1.158 -3.017 -2.413 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 12 . 1320 . 1 1 2 ARG NE N 1.462 -8.034 -1.559 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 12 . 1321 . 1 1 2 ARG NH1 N 1.415 -9.166 0.420 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 12 . 1322 . 1 1 2 ARG NH2 N 3.166 -7.819 -0.056 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 12 . 1323 . 1 1 2 ARG O O 0.801 -2.425 -5.060 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 12 . 1324 . 1 1 3 DTR C C 1.015 -3.506 -7.710 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 12 . 1325 . 1 1 3 DTR CA C -0.060 -4.267 -6.935 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 12 . 1326 . 1 1 3 DTR CB C -0.410 -5.561 -7.673 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 12 . 1327 . 1 1 3 DTR CD1 C -0.345 -7.584 -6.157 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 12 . 1328 . 1 1 3 DTR CD2 C 1.655 -7.125 -7.075 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 12 . 1329 . 1 1 3 DTR CE2 C 1.837 -8.266 -6.259 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 12 . 1330 . 1 1 3 DTR CE3 C 2.765 -6.624 -7.771 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 12 . 1331 . 1 1 3 DTR CG C 0.262 -6.711 -6.993 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 12 . 1332 . 1 1 3 DTR CH2 C 4.175 -8.375 -6.839 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 12 . 1333 . 1 1 3 DTR CZ2 C 3.082 -8.887 -6.139 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 12 . 1334 . 1 1 3 DTR CZ3 C 4.017 -7.248 -7.653 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 12 . 1335 . 1 1 3 DTR H H 0.439 -5.506 -5.300 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 12 . 1336 . 1 1 3 DTR HA H -0.945 -3.657 -6.861 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 12 . 1337 . 1 1 3 DTR HB2 H -0.067 -5.498 -8.695 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 12 . 1338 . 1 1 3 DTR HB3 H -1.480 -5.707 -7.657 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 12 . 1339 . 1 1 3 DTR HD1 H -1.387 -7.562 -5.874 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 12 . 1340 . 1 1 3 DTR HE1 H 0.407 -9.247 -5.104 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 12 . 1341 . 1 1 3 DTR HE3 H 2.654 -5.756 -8.403 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 12 . 1342 . 1 1 3 DTR HH2 H 5.142 -8.847 -6.752 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 12 . 1343 . 1 1 3 DTR HZ2 H 3.199 -9.754 -5.509 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 12 . 1344 . 1 1 3 DTR HZ3 H 4.861 -6.857 -8.191 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 12 . 1345 . 1 1 3 DTR N N 0.409 -4.575 -5.593 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 12 . 1346 . 1 1 3 DTR NE1 N 0.589 -8.508 -5.720 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 12 . 1347 . 1 1 3 DTR O O 0.800 -3.092 -8.849 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 12 . 1348 . 1 1 4 THR C C 4.598 -3.009 -6.984 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 12 . 1349 . 1 1 4 THR CA C 3.290 -2.623 -7.693 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 12 . 1350 . 1 1 4 THR CB C 3.086 -1.108 -7.563 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 12 . 1351 . 1 1 4 THR CG2 C 1.914 -0.652 -8.440 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 12 . 1352 . 1 1 4 THR H H 2.279 -3.689 -6.171 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 12 . 1353 . 1 1 4 THR HA H 3.337 -2.881 -8.735 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 12 . 1354 . 1 1 4 THR HB H 3.982 -0.597 -7.879 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 12 . 1355 . 1 1 4 THR HG1 H 2.410 -1.555 -5.796 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 12 . 1356 . 1 1 4 THR HG21 H 1.959 0.420 -8.566 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 12 . 1357 . 1 1 4 THR HG22 H 0.982 -0.916 -7.963 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 12 . 1358 . 1 1 4 THR HG23 H 1.973 -1.130 -9.406 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 12 . 1359 . 1 1 4 THR N N 2.172 -3.331 -7.076 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 12 . 1360 . 1 1 4 THR O O 4.769 -2.691 -5.807 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 12 . 1361 . 1 1 4 THR OG1 O 2.812 -0.786 -6.207 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 12 . 1362 . 1 1 5 PRO C C 7.800 -2.932 -6.919 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 12 . 1363 . 1 1 5 PRO CA C 6.804 -4.087 -6.996 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 12 . 1364 . 1 1 5 PRO CB C 7.328 -5.202 -7.898 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 12 . 1365 . 1 1 5 PRO CD C 5.467 -4.131 -9.047 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 12 . 1366 . 1 1 5 PRO CG C 6.767 -4.915 -9.252 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 12 . 1367 . 1 1 5 PRO HA H 6.615 -4.482 -6.011 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 12 . 1368 . 1 1 5 PRO HB2 H 8.409 -5.181 -7.926 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 12 . 1369 . 1 1 5 PRO HB3 H 6.980 -6.163 -7.548 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 12 . 1370 . 1 1 5 PRO HD2 H 5.431 -3.281 -9.716 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 12 . 1371 . 1 1 5 PRO HD3 H 4.613 -4.770 -9.201 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 12 . 1372 . 1 1 5 PRO HG2 H 7.471 -4.326 -9.824 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 12 . 1373 . 1 1 5 PRO HG3 H 6.553 -5.839 -9.767 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 12 . 1374 . 1 1 5 PRO N N 5.524 -3.683 -7.642 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 12 . 1375 . 1 1 5 PRO O O 8.977 -3.134 -6.623 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 12 . 1376 . 1 1 6 VAL C C 7.889 0.279 -5.887 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 12 . 1377 . 1 1 6 VAL CA C 8.170 -0.539 -7.144 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 12 . 1378 . 1 1 6 VAL CB C 7.928 0.324 -8.383 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 12 . 1379 . 1 1 6 VAL CG1 C 6.423 0.481 -8.611 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 12 . 1380 . 1 1 6 VAL CG2 C 8.557 1.704 -8.172 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 12 . 1381 . 1 1 6 VAL H H 6.369 -1.622 -7.416 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 12 . 1382 . 1 1 6 VAL HA H 9.203 -0.852 -7.135 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 12 . 1383 . 1 1 6 VAL HB H 8.375 -0.149 -9.245 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 12 . 1384 . 1 1 6 VAL HG11 H 6.026 -0.433 -9.025 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 12 . 1385 . 1 1 6 VAL HG12 H 6.247 1.295 -9.299 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 12 . 1386 . 1 1 6 VAL HG13 H 5.937 0.693 -7.671 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 12 . 1387 . 1 1 6 VAL HG21 H 7.842 2.355 -7.689 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 12 . 1388 . 1 1 6 VAL HG22 H 8.837 2.121 -9.126 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 12 . 1389 . 1 1 6 VAL HG23 H 9.434 1.608 -7.548 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 12 . 1390 . 1 1 6 VAL N N 7.317 -1.721 -7.186 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 12 . 1391 . 1 1 6 VAL O O 8.778 0.948 -5.360 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 12 . 1392 . 1 1 7 CYS C C 6.199 0.030 -3.011 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 12 . 1393 . 1 1 7 CYS CA C 6.262 0.960 -4.218 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 12 . 1394 . 1 1 7 CYS CB C 4.897 1.618 -4.429 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 12 . 1395 . 1 1 7 CYS H H 5.983 -0.331 -5.876 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 12 . 1396 . 1 1 7 CYS HA H 6.994 1.730 -4.029 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 12 . 1397 . 1 1 7 CYS HB2 H 4.835 2.518 -3.836 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 12 . 1398 . 1 1 7 CYS HB3 H 4.775 1.865 -5.474 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 12 . 1399 . 1 1 7 CYS N N 6.649 0.220 -5.413 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 12 . 1400 . 1 1 7 CYS O O 5.847 -1.142 -3.141 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 12 . 1401 . 1 1 7 CYS SG S 3.590 0.472 -3.925 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 12 . 1402 . 1 1 8 NH2 HN1 H 6.802 1.421 -1.727 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 12 . 1403 . 1 1 8 NH2 HN2 H 6.485 -0.103 -1.050 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 12 . 1404 . 1 1 8 NH2 N N 6.522 0.487 -1.832 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 13 . 1405 . 1 1 1 CYS C C 2.027 -1.889 -2.448 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 13 . 1406 . 1 1 1 CYS CA C 1.752 -0.754 -1.467 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 13 . 1407 . 1 1 1 CYS CB C 1.369 0.513 -2.234 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 13 . 1408 . 1 1 1 CYS H1 H 2.856 0.391 -0.124 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 13 . 1409 . 1 1 1 CYS H2 H 3.798 -0.406 -1.293 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 13 . 1410 . 1 1 1 CYS H3 H 3.129 -1.278 0.004 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 13 . 1411 . 1 1 1 CYS HA H 0.942 -1.035 -0.811 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 13 . 1412 . 1 1 1 CYS HB2 H 1.004 0.243 -3.214 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 13 . 1413 . 1 1 1 CYS HB3 H 0.596 1.039 -1.694 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 13 . 1414 . 1 1 1 CYS N N 2.976 -0.492 -0.659 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 13 . 1415 . 1 1 1 CYS O O 3.033 -1.881 -3.156 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 13 . 1416 . 1 1 1 CYS SG S 2.822 1.579 -2.403 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 13 . 1417 . 1 1 2 ARG C C 0.743 -3.676 -4.764 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 13 . 1418 . 1 1 2 ARG CA C 1.283 -4.002 -3.377 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 13 . 1419 . 1 1 2 ARG CB C 0.547 -5.212 -2.812 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 13 . 1420 . 1 1 2 ARG CD C 2.278 -6.922 -2.205 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 13 . 1421 . 1 1 2 ARG CG C 1.251 -6.495 -3.257 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 13 . 1422 . 1 1 2 ARG CZ C 2.200 -7.933 0.001 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 13 . 1423 . 1 1 2 ARG H H 0.344 -2.823 -1.895 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 13 . 1424 . 1 1 2 ARG HA H 2.329 -4.242 -3.460 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 13 . 1425 . 1 1 2 ARG HB2 H 0.539 -5.157 -1.733 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 13 . 1426 . 1 1 2 ARG HB3 H -0.469 -5.218 -3.179 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 13 . 1427 . 1 1 2 ARG HD2 H 3.072 -7.472 -2.689 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 13 . 1428 . 1 1 2 ARG HD3 H 2.694 -6.043 -1.732 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 13 . 1429 . 1 1 2 ARG HE H 0.807 -8.222 -1.407 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 13 . 1430 . 1 1 2 ARG HG2 H 0.516 -7.268 -3.377 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 13 . 1431 . 1 1 2 ARG HG3 H 1.755 -6.336 -4.196 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 13 . 1432 . 1 1 2 ARG HH11 H 0.758 -9.154 0.663 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 13 . 1433 . 1 1 2 ARG HH12 H 2.031 -8.821 1.788 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 13 . 1434 . 1 1 2 ARG HH21 H 3.768 -6.751 -0.386 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 13 . 1435 . 1 1 2 ARG HH22 H 3.735 -7.460 1.194 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 13 . 1436 . 1 1 2 ARG N N 1.126 -2.866 -2.482 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 13 . 1437 . 1 1 2 ARG NE N 1.649 -7.768 -1.198 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 13 . 1438 . 1 1 2 ARG NH1 N 1.618 -8.696 0.886 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 13 . 1439 . 1 1 2 ARG NH2 N 3.321 -7.335 0.293 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 13 . 1440 . 1 1 2 ARG O O 0.585 -2.511 -5.124 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 13 . 1441 . 1 1 3 DTR C C 0.972 -3.802 -7.745 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 13 . 1442 . 1 1 3 DTR CA C -0.047 -4.546 -6.887 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 13 . 1443 . 1 1 3 DTR CB C -0.331 -5.917 -7.506 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 13 . 1444 . 1 1 3 DTR CD1 C -0.138 -7.809 -5.840 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 13 . 1445 . 1 1 3 DTR CD2 C 1.834 -7.284 -6.782 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 13 . 1446 . 1 1 3 DTR CE2 C 2.087 -8.343 -5.879 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 13 . 1447 . 1 1 3 DTR CE3 C 2.919 -6.764 -7.508 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 13 . 1448 . 1 1 3 DTR CG C 0.415 -6.964 -6.740 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 13 . 1449 . 1 1 3 DTR CH2 C 4.433 -8.337 -6.434 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 13 . 1450 . 1 1 3 DTR CZ2 C 3.369 -8.866 -5.703 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 13 . 1451 . 1 1 3 DTR CZ3 C 4.209 -7.289 -7.333 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 13 . 1452 . 1 1 3 DTR H H 0.612 -5.618 -5.194 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 13 . 1453 . 1 1 3 DTR HA H -0.964 -3.982 -6.846 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 13 . 1454 . 1 1 3 DTR HB2 H -0.006 -5.924 -8.535 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 13 . 1455 . 1 1 3 DTR HB3 H -1.391 -6.121 -7.460 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 13 . 1456 . 1 1 3 DTR HD1 H -1.181 -7.838 -5.564 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 13 . 1457 . 1 1 3 DTR HE1 H 0.716 -9.331 -4.660 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 13 . 1458 . 1 1 3 DTR HE3 H 2.759 -5.955 -8.207 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 13 . 1459 . 1 1 3 DTR HH2 H 5.429 -8.733 -6.305 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 13 . 1460 . 1 1 3 DTR HZ2 H 3.540 -9.672 -5.009 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 13 . 1461 . 1 1 3 DTR HZ3 H 5.032 -6.886 -7.893 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 13 . 1462 . 1 1 3 DTR N N 0.466 -4.718 -5.537 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 13 . 1463 . 1 1 3 DTR NE1 N 0.853 -8.629 -5.329 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 13 . 1464 . 1 1 3 DTR O O 0.736 -3.535 -8.924 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 13 . 1465 . 1 1 4 THR C C 4.509 -2.993 -7.090 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 13 . 1466 . 1 1 4 THR CA C 3.182 -2.779 -7.837 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 13 . 1467 . 1 1 4 THR CB C 2.872 -1.282 -7.909 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 13 . 1468 . 1 1 4 THR CG2 C 2.252 -0.813 -6.593 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 13 . 1469 . 1 1 4 THR H H 2.238 -3.732 -6.200 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 13 . 1470 . 1 1 4 THR HA H 3.248 -3.164 -8.839 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 13 . 1471 . 1 1 4 THR HB H 2.178 -1.099 -8.715 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 13 . 1472 . 1 1 4 THR HG1 H 4.746 -0.904 -7.554 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 13 . 1473 . 1 1 4 THR HG21 H 1.176 -0.841 -6.671 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 13 . 1474 . 1 1 4 THR HG22 H 2.571 0.199 -6.385 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 13 . 1475 . 1 1 4 THR HG23 H 2.573 -1.461 -5.792 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 13 . 1476 . 1 1 4 THR N N 2.111 -3.481 -7.138 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 13 . 1477 . 1 1 4 THR O O 4.645 -2.552 -5.950 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 13 . 1478 . 1 1 4 THR OG1 O 4.075 -0.565 -8.149 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 13 . 1479 . 1 1 5 PRO C C 7.696 -2.686 -7.010 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 13 . 1480 . 1 1 5 PRO CA C 6.784 -3.910 -6.992 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 13 . 1481 . 1 1 5 PRO CB C 7.396 -5.060 -7.786 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 13 . 1482 . 1 1 5 PRO CD C 5.472 -4.242 -9.034 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 13 . 1483 . 1 1 5 PRO CG C 6.831 -4.937 -9.163 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 13 . 1484 . 1 1 5 PRO HA H 6.612 -4.229 -5.977 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 13 . 1485 . 1 1 5 PRO HB2 H 8.472 -4.963 -7.810 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 13 . 1486 . 1 1 5 PRO HB3 H 7.112 -6.008 -7.353 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 13 . 1487 . 1 1 5 PRO HD2 H 5.375 -3.463 -9.779 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 13 . 1488 . 1 1 5 PRO HD3 H 4.673 -4.958 -9.127 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 13 . 1489 . 1 1 5 PRO HG2 H 7.495 -4.345 -9.781 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 13 . 1490 . 1 1 5 PRO HG3 H 6.697 -5.915 -9.598 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 13 . 1491 . 1 1 5 PRO N N 5.484 -3.660 -7.677 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 13 . 1492 . 1 1 5 PRO O O 8.905 -2.798 -6.809 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 13 . 1493 . 1 1 6 VAL C C 7.862 0.406 -5.929 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 13 . 1494 . 1 1 6 VAL CA C 7.879 -0.281 -7.292 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 13 . 1495 . 1 1 6 VAL CB C 7.304 0.660 -8.353 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 13 . 1496 . 1 1 6 VAL CG1 C 6.182 1.507 -7.742 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 13 . 1497 . 1 1 6 VAL CG2 C 8.411 1.581 -8.869 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 13 . 1498 . 1 1 6 VAL H H 6.141 -1.490 -7.405 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 13 . 1499 . 1 1 6 VAL HA H 8.901 -0.514 -7.551 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 13 . 1500 . 1 1 6 VAL HB H 6.908 0.078 -9.173 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 13 . 1501 . 1 1 6 VAL HG11 H 5.583 0.893 -7.086 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 13 . 1502 . 1 1 6 VAL HG12 H 5.561 1.901 -8.531 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 13 . 1503 . 1 1 6 VAL HG13 H 6.613 2.323 -7.180 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 13 . 1504 . 1 1 6 VAL HG21 H 7.973 2.388 -9.439 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 13 . 1505 . 1 1 6 VAL HG22 H 9.083 1.019 -9.499 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 13 . 1506 . 1 1 6 VAL HG23 H 8.959 1.990 -8.031 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 13 . 1507 . 1 1 6 VAL N N 7.108 -1.519 -7.251 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 13 . 1508 . 1 1 6 VAL O O 8.715 1.242 -5.635 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 13 . 1509 . 1 1 7 CYS C C 6.595 -0.466 -2.721 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 13 . 1510 . 1 1 7 CYS CA C 6.755 0.628 -3.773 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 13 . 1511 . 1 1 7 CYS CB C 5.544 1.562 -3.726 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 13 . 1512 . 1 1 7 CYS H H 6.231 -0.629 -5.397 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 13 . 1513 . 1 1 7 CYS HA H 7.644 1.198 -3.551 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 13 . 1514 . 1 1 7 CYS HB2 H 5.600 2.179 -2.840 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 13 . 1515 . 1 1 7 CYS HB3 H 5.542 2.192 -4.603 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 13 . 1516 . 1 1 7 CYS N N 6.882 0.044 -5.105 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 13 . 1517 . 1 1 7 CYS O O 6.887 -0.250 -1.545 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 13 . 1518 . 1 1 7 CYS SG S 4.024 0.580 -3.683 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 13 . 1519 . 1 1 8 NH2 HN1 H 5.913 -1.809 -4.015 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 13 . 1520 . 1 1 8 NH2 HN2 H 6.039 -2.347 -2.410 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 13 . 1521 . 1 1 8 NH2 N N 6.145 -1.638 -3.078 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 14 . 1522 . 1 1 1 CYS C C 2.048 -1.985 -2.377 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 14 . 1523 . 1 1 1 CYS CA C 1.809 -0.910 -1.322 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 14 . 1524 . 1 1 1 CYS CB C 1.542 0.435 -2.000 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 14 . 1525 . 1 1 1 CYS H1 H 2.864 -0.041 0.249 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 14 . 1526 . 1 1 1 CYS H2 H 3.842 -0.565 -1.037 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 14 . 1527 . 1 1 1 CYS H3 H 3.173 -1.696 0.040 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 14 . 1528 . 1 1 1 CYS HA H 0.955 -1.184 -0.718 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 14 . 1529 . 1 1 1 CYS HB2 H 1.419 0.284 -3.062 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 14 . 1530 . 1 1 1 CYS HB3 H 0.642 0.870 -1.591 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 14 . 1531 . 1 1 1 CYS N N 3.012 -0.795 -0.451 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 14 . 1532 . 1 1 1 CYS O O 3.010 -1.914 -3.140 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 14 . 1533 . 1 1 1 CYS SG S 2.940 1.546 -1.705 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 14 . 1534 . 1 1 2 ARG C C 0.767 -3.639 -4.739 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 14 . 1535 . 1 1 2 ARG CA C 1.294 -4.063 -3.375 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 14 . 1536 . 1 1 2 ARG CB C 0.524 -5.284 -2.886 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 14 . 1537 . 1 1 2 ARG CD C 2.211 -7.071 -2.393 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 14 . 1538 . 1 1 2 ARG CG C 1.190 -6.557 -3.410 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 14 . 1539 . 1 1 2 ARG CZ C 2.116 -8.220 -0.256 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 14 . 1540 . 1 1 2 ARG H H 0.421 -2.987 -1.779 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 14 . 1541 . 1 1 2 ARG HA H 2.333 -4.329 -3.471 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 14 . 1542 . 1 1 2 ARG HB2 H 0.515 -5.296 -1.805 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 14 . 1543 . 1 1 2 ARG HB3 H -0.492 -5.237 -3.250 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 14 . 1544 . 1 1 2 ARG HD2 H 2.991 -7.608 -2.915 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 14 . 1545 . 1 1 2 ARG HD3 H 2.647 -6.235 -1.867 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 14 . 1546 . 1 1 2 ARG HE H 0.713 -8.387 -1.674 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 14 . 1547 . 1 1 2 ARG HG2 H 0.435 -7.301 -3.571 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 14 . 1548 . 1 1 2 ARG HG3 H 1.694 -6.354 -4.342 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 14 . 1549 . 1 1 2 ARG HH11 H 0.649 -9.448 0.333 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 14 . 1550 . 1 1 2 ARG HH12 H 1.933 -9.215 1.472 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 14 . 1551 . 1 1 2 ARG HH21 H 3.710 -7.051 -0.574 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 14 . 1552 . 1 1 2 ARG HH22 H 3.666 -7.857 0.959 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 14 . 1553 . 1 1 2 ARG N N 1.167 -2.980 -2.412 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 14 . 1554 . 1 1 2 ARG NE N 1.566 -7.966 -1.439 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 14 . 1555 . 1 1 2 ARG NH1 N 1.519 -9.023 0.582 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 14 . 1556 . 1 1 2 ARG NH2 N 3.253 -7.666 0.068 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 14 . 1557 . 1 1 2 ARG O O 0.657 -2.450 -5.033 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 14 . 1558 . 1 1 3 DTR C C 0.994 -3.611 -7.725 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 14 . 1559 . 1 1 3 DTR CA C -0.059 -4.354 -6.906 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 14 . 1560 . 1 1 3 DTR CB C -0.409 -5.672 -7.599 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 14 . 1561 . 1 1 3 DTR CD1 C -0.290 -7.663 -6.047 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 14 . 1562 . 1 1 3 DTR CD2 C 1.695 -7.182 -6.986 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 14 . 1563 . 1 1 3 DTR CE2 C 1.904 -8.303 -6.149 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 14 . 1564 . 1 1 3 DTR CE3 C 2.794 -6.673 -7.698 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 14 . 1565 . 1 1 3 DTR CG C 0.292 -6.795 -6.905 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 14 . 1566 . 1 1 3 DTR CH2 C 4.241 -8.378 -6.738 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 14 . 1567 . 1 1 3 DTR CZ2 C 3.162 -8.896 -6.024 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 14 . 1568 . 1 1 3 DTR CZ3 C 4.058 -7.270 -7.572 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 14 . 1569 . 1 1 3 DTR H H 0.558 -5.547 -5.279 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 14 . 1570 . 1 1 3 DTR HA H -0.947 -3.751 -6.828 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 14 . 1571 . 1 1 3 DTR HB2 H -0.094 -5.633 -8.631 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 14 . 1572 . 1 1 3 DTR HB3 H -1.477 -5.830 -7.554 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 14 . 1573 . 1 1 3 DTR HD1 H -1.330 -7.658 -5.759 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 14 . 1574 . 1 1 3 DTR HE1 H 0.501 -9.293 -4.970 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 14 . 1575 . 1 1 3 DTR HE3 H 2.666 -5.818 -8.346 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 14 . 1576 . 1 1 3 DTR HH2 H 5.218 -8.829 -6.646 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 14 . 1577 . 1 1 3 DTR HZ2 H 3.300 -9.749 -5.379 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 14 . 1578 . 1 1 3 DTR HZ3 H 4.894 -6.874 -8.120 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 14 . 1579 . 1 1 3 DTR N N 0.448 -4.623 -5.570 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 14 . 1580 . 1 1 3 DTR NE1 N 0.665 -8.560 -5.600 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 14 . 1581 . 1 1 3 DTR O O 0.771 -3.274 -8.887 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 14 . 1582 . 1 1 4 THR C C 4.565 -3.005 -7.046 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 14 . 1583 . 1 1 4 THR CA C 3.244 -2.682 -7.766 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 14 . 1584 . 1 1 4 THR CB C 3.007 -1.169 -7.740 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 14 . 1585 . 1 1 4 THR CG2 C 2.423 -0.756 -6.390 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 14 . 1586 . 1 1 4 THR H H 2.259 -3.674 -6.179 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 14 . 1587 . 1 1 4 THR HA H 3.286 -3.004 -8.791 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 14 . 1588 . 1 1 4 THR HB H 2.315 -0.903 -8.524 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 14 . 1589 . 1 1 4 THR HG1 H 4.220 -0.109 -8.828 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 14 . 1590 . 1 1 4 THR HG21 H 2.804 0.216 -6.115 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 14 . 1591 . 1 1 4 THR HG22 H 2.705 -1.477 -5.638 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 14 . 1592 . 1 1 4 THR HG23 H 1.346 -0.712 -6.461 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 14 . 1593 . 1 1 4 THR N N 2.145 -3.372 -7.103 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 14 . 1594 . 1 1 4 THR O O 4.728 -2.646 -5.880 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 14 . 1595 . 1 1 4 THR OG1 O 4.240 -0.497 -7.951 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 14 . 1596 . 1 1 5 PRO C C 7.773 -2.864 -6.975 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 14 . 1597 . 1 1 5 PRO CA C 6.794 -4.036 -7.026 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 14 . 1598 . 1 1 5 PRO CB C 7.340 -5.164 -7.898 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 14 . 1599 . 1 1 5 PRO CD C 5.455 -4.171 -9.073 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 14 . 1600 . 1 1 5 PRO CG C 6.777 -4.921 -9.260 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 14 . 1601 . 1 1 5 PRO HA H 6.612 -4.411 -6.032 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 14 . 1602 . 1 1 5 PRO HB2 H 8.420 -5.125 -7.924 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 14 . 1603 . 1 1 5 PRO HB3 H 7.007 -6.121 -7.524 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 14 . 1604 . 1 1 5 PRO HD2 H 5.389 -3.344 -9.768 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 14 . 1605 . 1 1 5 PRO HD3 H 4.621 -4.842 -9.204 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 14 . 1606 . 1 1 5 PRO HG2 H 7.466 -4.323 -9.841 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 14 . 1607 . 1 1 5 PRO HG3 H 6.594 -5.861 -9.757 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 14 . 1608 . 1 1 5 PRO N N 5.503 -3.679 -7.682 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 14 . 1609 . 1 1 5 PRO O O 8.965 -3.054 -6.730 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 14 . 1610 . 1 1 6 VAL C C 7.901 0.311 -5.879 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 14 . 1611 . 1 1 6 VAL CA C 8.109 -0.465 -7.176 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 14 . 1612 . 1 1 6 VAL CB C 7.797 0.430 -8.382 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 14 . 1613 . 1 1 6 VAL CG1 C 6.741 1.476 -8.011 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 14 . 1614 . 1 1 6 VAL CG2 C 9.076 1.140 -8.830 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 14 . 1615 . 1 1 6 VAL H H 6.308 -1.564 -7.391 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 14 . 1616 . 1 1 6 VAL HA H 9.144 -0.771 -7.233 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 14 . 1617 . 1 1 6 VAL HB H 7.424 -0.181 -9.192 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 14 . 1618 . 1 1 6 VAL HG11 H 5.958 1.013 -7.431 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 14 . 1619 . 1 1 6 VAL HG12 H 6.318 1.893 -8.913 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 14 . 1620 . 1 1 6 VAL HG13 H 7.200 2.265 -7.433 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 14 . 1621 . 1 1 6 VAL HG21 H 9.485 1.700 -8.002 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 14 . 1622 . 1 1 6 VAL HG22 H 8.850 1.812 -9.643 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 14 . 1623 . 1 1 6 VAL HG23 H 9.799 0.406 -9.160 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 14 . 1624 . 1 1 6 VAL N N 7.265 -1.656 -7.203 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 14 . 1625 . 1 1 6 VAL O O 8.797 1.017 -5.415 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 14 . 1626 . 1 1 7 CYS C C 7.501 0.652 -3.025 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 14 . 1627 . 1 1 7 CYS CA C 6.396 0.865 -4.054 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 14 . 1628 . 1 1 7 CYS CB C 5.068 0.350 -3.492 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 14 . 1629 . 1 1 7 CYS H H 6.037 -0.404 -5.713 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 14 . 1630 . 1 1 7 CYS HA H 6.303 1.922 -4.254 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 14 . 1631 . 1 1 7 CYS HB2 H 4.712 -0.466 -4.103 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 14 . 1632 . 1 1 7 CYS HB3 H 5.215 0.005 -2.480 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 14 . 1633 . 1 1 7 CYS N N 6.712 0.172 -5.297 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 14 . 1634 . 1 1 7 CYS O O 7.863 -0.485 -2.722 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 14 . 1635 . 1 1 7 CYS SG S 3.849 1.688 -3.503 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 14 . 1636 . 1 1 8 NH2 HN1 H 7.776 2.592 -2.705 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 14 . 1637 . 1 1 8 NH2 HN2 H 8.775 1.559 -1.801 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 14 . 1638 . 1 1 8 NH2 N N 8.065 1.687 -2.464 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 15 . 1639 . 1 1 1 CYS C C 2.151 -2.370 -2.062 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 15 . 1640 . 1 1 1 CYS CA C 1.946 -1.352 -0.947 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 15 . 1641 . 1 1 1 CYS CB C 1.756 0.044 -1.542 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 15 . 1642 . 1 1 1 CYS H1 H 2.985 -0.686 0.731 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 15 . 1643 . 1 1 1 CYS H2 H 3.977 -1.059 -0.597 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 15 . 1644 . 1 1 1 CYS H3 H 3.288 -2.306 0.329 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 15 . 1645 . 1 1 1 CYS HA H 1.071 -1.621 -0.373 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 15 . 1646 . 1 1 1 CYS HB2 H 1.291 -0.040 -2.513 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 15 . 1647 . 1 1 1 CYS HB3 H 1.124 0.630 -0.891 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 15 . 1648 . 1 1 1 CYS N N 3.139 -1.350 -0.053 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 15 . 1649 . 1 1 1 CYS O O 3.237 -2.469 -2.634 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 15 . 1650 . 1 1 1 CYS SG S 3.365 0.853 -1.712 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 15 . 1651 . 1 1 2 ARG C C 0.739 -3.555 -4.754 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 15 . 1652 . 1 1 2 ARG CA C 1.178 -4.132 -3.414 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 15 . 1653 . 1 1 2 ARG CB C 0.292 -5.318 -3.052 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 15 . 1654 . 1 1 2 ARG CD C 1.811 -7.270 -2.654 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 15 . 1655 . 1 1 2 ARG CG C 0.872 -6.596 -3.657 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 15 . 1656 . 1 1 2 ARG CZ C 1.593 -8.637 -0.659 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 15 . 1657 . 1 1 2 ARG H H 0.263 -3.008 -1.878 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 15 . 1658 . 1 1 2 ARG HA H 2.195 -4.476 -3.500 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 15 . 1659 . 1 1 2 ARG HB2 H 0.242 -5.415 -1.977 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 15 . 1660 . 1 1 2 ARG HB3 H -0.701 -5.156 -3.444 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 15 . 1661 . 1 1 2 ARG HD2 H 2.560 -7.833 -3.194 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 15 . 1662 . 1 1 2 ARG HD3 H 2.299 -6.515 -2.055 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 15 . 1663 . 1 1 2 ARG HE H 0.156 -8.442 -2.039 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 15 . 1664 . 1 1 2 ARG HG2 H 0.064 -7.259 -3.896 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 15 . 1665 . 1 1 2 ARG HG3 H 1.422 -6.366 -4.554 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 15 . 1666 . 1 1 2 ARG HH11 H -0.023 -9.710 -0.164 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 15 . 1667 . 1 1 2 ARG HH12 H 1.301 -9.791 0.950 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 15 . 1668 . 1 1 2 ARG HH21 H 3.329 -7.669 -0.896 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 15 . 1669 . 1 1 2 ARG HH22 H 3.198 -8.636 0.535 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 15 . 1670 . 1 1 2 ARG N N 1.103 -3.126 -2.367 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 15 . 1671 . 1 1 2 ARG NE N 1.063 -8.173 -1.787 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 15 . 1672 . 1 1 2 ARG NH1 N 0.903 -9.442 0.102 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 15 . 1673 . 1 1 2 ARG NH2 N 2.800 -8.287 -0.313 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 15 . 1674 . 1 1 2 ARG O O 0.738 -2.342 -4.950 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 15 . 1675 . 1 1 3 DTR C C 1.070 -3.314 -7.729 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 15 . 1676 . 1 1 3 DTR CA C -0.066 -4.025 -6.995 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 15 . 1677 . 1 1 3 DTR CB C -0.507 -5.252 -7.796 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 15 . 1678 . 1 1 3 DTR CD1 C -0.594 -7.367 -6.414 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 15 . 1679 . 1 1 3 DTR CD2 C 1.453 -6.962 -7.249 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 15 . 1680 . 1 1 3 DTR CE2 C 1.550 -8.160 -6.502 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 15 . 1681 . 1 1 3 DTR CE3 C 2.611 -6.482 -7.882 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 15 . 1682 . 1 1 3 DTR CG C 0.081 -6.479 -7.178 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 15 . 1683 . 1 1 3 DTR CH2 C 3.895 -8.361 -7.025 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 15 . 1684 . 1 1 3 DTR CZ2 C 2.757 -8.855 -6.389 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 15 . 1685 . 1 1 3 DTR CZ3 C 3.822 -7.179 -7.769 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 15 . 1686 . 1 1 3 DTR H H 0.393 -5.390 -5.453 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 15 . 1687 . 1 1 3 DTR HA H -0.902 -3.355 -6.892 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 15 . 1688 . 1 1 3 DTR HB2 H -0.163 -5.160 -8.816 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 15 . 1689 . 1 1 3 DTR HB3 H -1.585 -5.322 -7.785 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 15 . 1690 . 1 1 3 DTR HD1 H -1.640 -7.306 -6.158 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 15 . 1691 . 1 1 3 DTR HE1 H 0.037 -9.133 -5.452 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 15 . 1692 . 1 1 3 DTR HE3 H 2.567 -5.571 -8.459 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 15 . 1693 . 1 1 3 DTR HH2 H 4.834 -8.891 -6.943 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 15 . 1694 . 1 1 3 DTR HZ2 H 2.810 -9.764 -5.814 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 15 . 1695 . 1 1 3 DTR HZ3 H 4.703 -6.804 -8.257 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 15 . 1696 . 1 1 3 DTR N N 0.370 -4.440 -5.671 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 15 . 1697 . 1 1 3 DTR NE1 N 0.276 -8.366 -6.014 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 15 . 1698 . 1 1 3 DTR O O 0.916 -2.891 -8.875 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 15 . 1699 . 1 1 4 THR C C 4.656 -3.031 -6.933 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 15 . 1700 . 1 1 4 THR CA C 3.380 -2.548 -7.643 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 15 . 1701 . 1 1 4 THR CB C 3.267 -1.029 -7.494 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 15 . 1702 . 1 1 4 THR CG2 C 2.662 -0.687 -6.132 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 15 . 1703 . 1 1 4 THR H H 2.272 -3.561 -6.150 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 15 . 1704 . 1 1 4 THR HA H 3.420 -2.787 -8.691 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 15 . 1705 . 1 1 4 THR HB H 2.633 -0.637 -8.274 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 15 . 1706 . 1 1 4 THR HG1 H 4.637 -0.050 -8.468 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 15 . 1707 . 1 1 4 THR HG21 H 3.094 0.234 -5.768 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 15 . 1708 . 1 1 4 THR HG22 H 2.872 -1.484 -5.434 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 15 . 1709 . 1 1 4 THR HG23 H 1.593 -0.567 -6.233 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 15 . 1710 . 1 1 4 THR N N 2.212 -3.197 -7.058 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 15 . 1711 . 1 1 4 THR O O 4.826 -2.769 -5.743 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 15 . 1712 . 1 1 4 THR OG1 O 4.559 -0.448 -7.598 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 15 . 1713 . 1 1 5 PRO C C 7.861 -3.140 -6.838 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 15 . 1714 . 1 1 5 PRO CA C 6.798 -4.229 -6.964 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 15 . 1715 . 1 1 5 PRO CB C 7.267 -5.339 -7.903 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 15 . 1716 . 1 1 5 PRO CD C 5.488 -4.116 -9.029 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 15 . 1717 . 1 1 5 PRO CG C 6.743 -4.967 -9.251 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 15 . 1718 . 1 1 5 PRO HA H 6.577 -4.649 -5.996 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 15 . 1719 . 1 1 5 PRO HB2 H 8.347 -5.381 -7.916 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 15 . 1720 . 1 1 5 PRO HB3 H 6.856 -6.289 -7.593 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 15 . 1721 . 1 1 5 PRO HD2 H 5.509 -3.240 -9.663 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 15 . 1722 . 1 1 5 PRO HD3 H 4.601 -4.698 -9.220 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 15 . 1723 . 1 1 5 PRO HG2 H 7.488 -4.397 -9.789 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 15 . 1724 . 1 1 5 PRO HG3 H 6.485 -5.855 -9.805 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 15 . 1725 . 1 1 5 PRO N N 5.550 -3.728 -7.606 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 15 . 1726 . 1 1 5 PRO O O 9.039 -3.432 -6.630 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 15 . 1727 . 1 1 6 VAL C C 7.877 0.234 -5.807 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 15 . 1728 . 1 1 6 VAL CA C 8.353 -0.754 -6.868 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 15 . 1729 . 1 1 6 VAL CB C 8.461 -0.043 -8.221 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 15 . 1730 . 1 1 6 VAL CG1 C 7.062 0.173 -8.807 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 15 . 1731 . 1 1 6 VAL CG2 C 9.145 1.312 -8.029 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 15 . 1732 . 1 1 6 VAL H H 6.483 -1.718 -7.134 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 15 . 1733 . 1 1 6 VAL HA H 9.330 -1.119 -6.590 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 15 . 1734 . 1 1 6 VAL HB H 9.043 -0.650 -8.899 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 15 . 1735 . 1 1 6 VAL HG11 H 7.148 0.649 -9.771 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 15 . 1736 . 1 1 6 VAL HG12 H 6.488 0.804 -8.144 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 15 . 1737 . 1 1 6 VAL HG13 H 6.565 -0.779 -8.918 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 15 . 1738 . 1 1 6 VAL HG21 H 8.425 2.032 -7.671 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 15 . 1739 . 1 1 6 VAL HG22 H 9.551 1.647 -8.972 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 15 . 1740 . 1 1 6 VAL HG23 H 9.944 1.212 -7.308 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 15 . 1741 . 1 1 6 VAL N N 7.434 -1.886 -6.968 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 15 . 1742 . 1 1 6 VAL O O 8.680 0.769 -5.042 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 15 . 1743 . 1 1 7 CYS C C 6.881 2.630 -4.644 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 15 . 1744 . 1 1 7 CYS CA C 5.997 1.396 -4.794 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 15 . 1745 . 1 1 7 CYS CB C 5.848 0.705 -3.437 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 15 . 1746 . 1 1 7 CYS H H 5.978 0.013 -6.400 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 15 . 1747 . 1 1 7 CYS HA H 5.021 1.703 -5.136 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 15 . 1748 . 1 1 7 CYS HB2 H 6.600 -0.064 -3.340 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 15 . 1749 . 1 1 7 CYS HB3 H 5.971 1.431 -2.648 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 15 . 1750 . 1 1 7 CYS N N 6.570 0.469 -5.766 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 15 . 1751 . 1 1 7 CYS O O 7.819 2.634 -3.847 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 15 . 1752 . 1 1 7 CYS SG S 4.203 -0.041 -3.320 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 15 . 1753 . 1 1 8 NH2 HN1 H 5.889 3.683 -6.004 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 15 . 1754 . 1 1 8 NH2 HN2 H 7.199 4.484 -5.280 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 15 . 1755 . 1 1 8 NH2 N N 6.636 3.687 -5.370 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 16 . 1756 . 1 1 1 CYS C C 2.287 -2.116 -2.290 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 16 . 1757 . 1 1 1 CYS CA C 2.111 -1.057 -1.208 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 16 . 1758 . 1 1 1 CYS CB C 1.115 0.006 -1.678 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 16 . 1759 . 1 1 1 CYS H1 H 4.134 -0.761 -1.601 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 16 . 1760 . 1 1 1 CYS H2 H 3.723 -0.649 0.044 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 16 . 1761 . 1 1 1 CYS H3 H 3.336 0.617 -1.021 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 16 . 1762 . 1 1 1 CYS HA H 1.739 -1.522 -0.308 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 16 . 1763 . 1 1 1 CYS HB2 H 0.126 -0.424 -1.723 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 16 . 1764 . 1 1 1 CYS HB3 H 1.118 0.832 -0.984 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 16 . 1765 . 1 1 1 CYS N N 3.425 -0.414 -0.926 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 16 . 1766 . 1 1 1 CYS O O 3.309 -2.153 -2.976 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 16 . 1767 . 1 1 1 CYS SG S 1.591 0.597 -3.322 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 16 . 1768 . 1 1 2 ARG C C 0.857 -3.531 -4.785 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 16 . 1769 . 1 1 2 ARG CA C 1.339 -4.035 -3.432 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 16 . 1770 . 1 1 2 ARG CB C 0.477 -5.209 -2.987 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 16 . 1771 . 1 1 2 ARG CD C 2.048 -7.115 -2.559 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 16 . 1772 . 1 1 2 ARG CG C 1.052 -6.510 -3.550 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 16 . 1773 . 1 1 2 ARG CZ C 1.926 -8.372 -0.485 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 16 . 1774 . 1 1 2 ARG H H 0.498 -2.902 -1.858 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 16 . 1775 . 1 1 2 ARG HA H 2.356 -4.375 -3.532 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 16 . 1776 . 1 1 2 ARG HB2 H 0.462 -5.257 -1.907 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 16 . 1777 . 1 1 2 ARG HB3 H -0.530 -5.076 -3.354 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 16 . 1778 . 1 1 2 ARG HD2 H 2.793 -7.677 -3.104 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 16 . 1779 . 1 1 2 ARG HD3 H 2.534 -6.322 -2.010 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 16 . 1780 . 1 1 2 ARG HE H 0.464 -8.333 -1.852 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 16 . 1781 . 1 1 2 ARG HG2 H 0.248 -7.198 -3.720 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 16 . 1782 . 1 1 2 ARG HG3 H 1.558 -6.314 -4.483 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 16 . 1783 . 1 1 2 ARG HH11 H 0.376 -9.498 0.096 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 16 . 1784 . 1 1 2 ARG HH12 H 1.716 -9.445 1.193 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 16 . 1785 . 1 1 2 ARG HH21 H 3.606 -7.331 -0.804 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 16 . 1786 . 1 1 2 ARG HH22 H 3.545 -8.217 0.683 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 16 . 1787 . 1 1 2 ARG N N 1.286 -2.977 -2.435 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 16 . 1788 . 1 1 2 ARG NE N 1.360 -8.003 -1.630 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 16 . 1789 . 1 1 2 ARG NH1 N 1.290 -9.167 0.331 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 16 . 1790 . 1 1 2 ARG NH2 N 3.118 -7.940 -0.178 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 16 . 1791 . 1 1 2 ARG O O 0.888 -2.333 -5.064 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 16 . 1792 . 1 1 3 DTR C C 1.029 -3.368 -7.717 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 16 . 1793 . 1 1 3 DTR CA C -0.056 -4.117 -6.955 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 16 . 1794 . 1 1 3 DTR CB C -0.437 -5.390 -7.714 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 16 . 1795 . 1 1 3 DTR CD1 C -0.435 -7.431 -6.222 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 16 . 1796 . 1 1 3 DTR CD2 C 1.578 -7.027 -7.137 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 16 . 1797 . 1 1 3 DTR CE2 C 1.723 -8.182 -6.334 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 16 . 1798 . 1 1 3 DTR CE3 C 2.705 -6.556 -7.829 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 16 . 1799 . 1 1 3 DTR CG C 0.199 -6.569 -7.050 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 16 . 1800 . 1 1 3 DTR CH2 C 4.056 -8.363 -6.917 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 16 . 1801 . 1 1 3 DTR CZ2 C 2.946 -8.845 -6.222 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 16 . 1802 . 1 1 3 DTR CZ3 C 3.936 -7.222 -7.718 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 16 . 1803 . 1 1 3 DTR H H 0.428 -5.394 -5.349 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 16 . 1804 . 1 1 3 DTR HA H -0.928 -3.491 -6.861 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 16 . 1805 . 1 1 3 DTR HB2 H -0.088 -5.320 -8.733 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 16 . 1806 . 1 1 3 DTR HB3 H -1.511 -5.507 -7.707 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 16 . 1807 . 1 1 3 DTR HD1 H -1.475 -7.379 -5.938 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 16 . 1808 . 1 1 3 DTR HE1 H 0.262 -9.130 -5.190 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 16 . 1809 . 1 1 3 DTR HE3 H 2.623 -5.677 -8.451 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 16 . 1810 . 1 1 3 DTR HH2 H 5.007 -8.869 -6.836 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 16 . 1811 . 1 1 3 DTR HZ2 H 3.036 -9.723 -5.603 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 16 . 1812 . 1 1 3 DTR HZ3 H 4.794 -6.853 -8.252 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 16 . 1813 . 1 1 3 DTR N N 0.421 -4.461 -5.626 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 16 . 1814 . 1 1 3 DTR NE1 N 0.468 -8.389 -5.797 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 16 . 1815 . 1 1 3 DTR O O 0.807 -2.886 -8.827 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 16 . 1816 . 1 1 4 THR C C 4.636 -3.028 -6.998 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 16 . 1817 . 1 1 4 THR CA C 3.343 -2.597 -7.706 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 16 . 1818 . 1 1 4 THR CB C 3.170 -1.083 -7.554 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 16 . 1819 . 1 1 4 THR CG2 C 2.833 -0.462 -8.911 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 16 . 1820 . 1 1 4 THR H H 2.313 -3.693 -6.221 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 16 . 1821 . 1 1 4 THR HA H 3.384 -2.840 -8.753 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 16 . 1822 . 1 1 4 THR HB H 4.088 -0.652 -7.184 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 16 . 1823 . 1 1 4 THR HG1 H 2.430 -1.041 -5.756 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 16 . 1824 . 1 1 4 THR HG21 H 1.907 -0.877 -9.276 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 16 . 1825 . 1 1 4 THR HG22 H 3.626 -0.677 -9.613 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 16 . 1826 . 1 1 4 THR HG23 H 2.731 0.606 -8.801 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 16 . 1827 . 1 1 4 THR N N 2.206 -3.283 -7.103 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 16 . 1828 . 1 1 4 THR O O 4.809 -2.734 -5.814 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 16 . 1829 . 1 1 4 THR OG1 O 2.118 -0.818 -6.636 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 16 . 1830 . 1 1 5 PRO C C 7.831 -3.037 -6.903 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 16 . 1831 . 1 1 5 PRO CA C 6.810 -4.165 -7.017 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 16 . 1832 . 1 1 5 PRO CB C 7.313 -5.272 -7.939 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 16 . 1833 . 1 1 5 PRO CD C 5.483 -4.136 -9.075 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 16 . 1834 . 1 1 5 PRO CG C 6.765 -4.947 -9.289 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 16 . 1835 . 1 1 5 PRO HA H 6.603 -4.578 -6.043 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 16 . 1836 . 1 1 5 PRO HB2 H 8.394 -5.272 -7.961 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 16 . 1837 . 1 1 5 PRO HB3 H 6.943 -6.232 -7.610 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 16 . 1838 . 1 1 5 PRO HD2 H 5.470 -3.275 -9.729 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 16 . 1839 . 1 1 5 PRO HD3 H 4.616 -4.752 -9.245 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 16 . 1840 . 1 1 5 PRO HG2 H 7.485 -4.363 -9.848 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 16 . 1841 . 1 1 5 PRO HG3 H 6.534 -5.855 -9.823 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 16 . 1842 . 1 1 5 PRO N N 5.545 -3.715 -7.662 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 16 . 1843 . 1 1 5 PRO O O 9.027 -3.280 -6.740 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 16 . 1844 . 1 1 6 VAL C C 7.605 0.411 -5.971 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 16 . 1845 . 1 1 6 VAL CA C 8.218 -0.637 -6.894 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 16 . 1846 . 1 1 6 VAL CB C 8.437 -0.033 -8.282 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 16 . 1847 . 1 1 6 VAL CG1 C 7.285 0.916 -8.616 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 16 . 1848 . 1 1 6 VAL CG2 C 9.757 0.742 -8.297 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 16 . 1849 . 1 1 6 VAL H H 6.384 -1.674 -7.119 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 16 . 1850 . 1 1 6 VAL HA H 9.172 -0.944 -6.492 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 16 . 1851 . 1 1 6 VAL HB H 8.475 -0.826 -9.016 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 16 . 1852 . 1 1 6 VAL HG11 H 7.452 1.868 -8.135 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 16 . 1853 . 1 1 6 VAL HG12 H 6.357 0.493 -8.264 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 16 . 1854 . 1 1 6 VAL HG13 H 7.235 1.057 -9.685 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 16 . 1855 . 1 1 6 VAL HG21 H 10.557 0.086 -8.607 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 16 . 1856 . 1 1 6 VAL HG22 H 9.964 1.119 -7.306 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 16 . 1857 . 1 1 6 VAL HG23 H 9.681 1.568 -8.988 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 16 . 1858 . 1 1 6 VAL N N 7.347 -1.803 -6.989 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 16 . 1859 . 1 1 6 VAL O O 8.120 1.523 -5.848 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 16 . 1860 . 1 1 7 CYS C C 6.166 0.631 -2.964 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 16 . 1861 . 1 1 7 CYS CA C 5.824 0.964 -4.414 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 16 . 1862 . 1 1 7 CYS CB C 4.310 0.874 -4.616 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 16 . 1863 . 1 1 7 CYS H H 6.137 -0.850 -5.462 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 16 . 1864 . 1 1 7 CYS HA H 6.144 1.973 -4.627 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 16 . 1865 . 1 1 7 CYS HB2 H 4.010 1.558 -5.396 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 16 . 1866 . 1 1 7 CYS HB3 H 4.044 -0.134 -4.899 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 16 . 1867 . 1 1 7 CYS N N 6.502 0.048 -5.323 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 16 . 1868 . 1 1 7 CYS O O 6.558 1.511 -2.197 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 16 . 1869 . 1 1 7 CYS SG S 3.465 1.311 -3.075 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 16 . 1870 . 1 1 8 NH2 HN1 H 5.729 -1.297 -3.153 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 16 . 1871 . 1 1 8 NH2 HN2 H 6.259 -0.820 -1.613 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 16 . 1872 . 1 1 8 NH2 N N 6.041 -0.598 -2.542 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 17 . 1873 . 1 1 1 CYS C C 2.267 -2.134 -2.260 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 17 . 1874 . 1 1 1 CYS CA C 2.076 -1.065 -1.190 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 17 . 1875 . 1 1 1 CYS CB C 1.136 0.026 -1.706 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 17 . 1876 . 1 1 1 CYS H1 H 3.725 -0.837 0.060 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 17 . 1877 . 1 1 1 CYS H2 H 3.297 0.572 -0.786 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 17 . 1878 . 1 1 1 CYS H3 H 4.086 -0.699 -1.591 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 17 . 1879 . 1 1 1 CYS HA H 1.651 -1.517 -0.307 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 17 . 1880 . 1 1 1 CYS HB2 H 0.137 -0.376 -1.801 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 17 . 1881 . 1 1 1 CYS HB3 H 1.126 0.850 -1.010 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 17 . 1882 . 1 1 1 CYS N N 3.395 -0.462 -0.852 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 17 . 1883 . 1 1 1 CYS O O 3.312 -2.197 -2.909 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 17 . 1884 . 1 1 1 CYS SG S 1.708 0.606 -3.323 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 17 . 1885 . 1 1 2 ARG C C 0.837 -3.541 -4.789 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 17 . 1886 . 1 1 2 ARG CA C 1.317 -4.034 -3.431 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 17 . 1887 . 1 1 2 ARG CB C 0.459 -5.211 -2.981 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 17 . 1888 . 1 1 2 ARG CD C 2.038 -7.106 -2.534 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 17 . 1889 . 1 1 2 ARG CG C 1.046 -6.511 -3.535 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 17 . 1890 . 1 1 2 ARG CZ C 1.917 -8.370 -0.464 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 17 . 1891 . 1 1 2 ARG H H 0.445 -2.875 -1.893 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 17 . 1892 . 1 1 2 ARG HA H 2.336 -4.368 -3.523 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 17 . 1893 . 1 1 2 ARG HB2 H 0.439 -5.252 -1.902 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 17 . 1894 . 1 1 2 ARG HB3 H -0.546 -5.086 -3.355 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 17 . 1895 . 1 1 2 ARG HD2 H 2.789 -7.666 -3.071 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 17 . 1896 . 1 1 2 ARG HD3 H 2.516 -6.308 -1.984 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 17 . 1897 . 1 1 2 ARG HE H 0.449 -8.317 -1.824 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 17 . 1898 . 1 1 2 ARG HG2 H 0.246 -7.204 -3.706 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 17 . 1899 . 1 1 2 ARG HG3 H 1.557 -6.319 -4.465 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 17 . 1900 . 1 1 2 ARG HH11 H 0.364 -9.491 0.118 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 17 . 1901 . 1 1 2 ARG HH12 H 1.708 -9.449 1.210 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 17 . 1902 . 1 1 2 ARG HH21 H 3.601 -7.336 -0.784 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 17 . 1903 . 1 1 2 ARG HH22 H 3.540 -8.228 0.699 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 17 . 1904 . 1 1 2 ARG N N 1.252 -2.972 -2.439 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 17 . 1905 . 1 1 2 ARG NE N 1.348 -7.994 -1.604 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 17 . 1906 . 1 1 2 ARG NH1 N 1.280 -9.165 0.352 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 17 . 1907 . 1 1 2 ARG NH2 N 3.112 -7.945 -0.159 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 17 . 1908 . 1 1 2 ARG O O 0.854 -2.344 -5.071 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 17 . 1909 . 1 1 3 DTR C C 1.031 -3.410 -7.733 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 17 . 1910 . 1 1 3 DTR CA C -0.057 -4.148 -6.961 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 17 . 1911 . 1 1 3 DTR CB C -0.443 -5.427 -7.707 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 17 . 1912 . 1 1 3 DTR CD1 C -0.435 -7.460 -6.204 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 17 . 1913 . 1 1 3 DTR CD2 C 1.578 -7.052 -7.116 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 17 . 1914 . 1 1 3 DTR CE2 C 1.726 -8.202 -6.306 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 17 . 1915 . 1 1 3 DTR CE3 C 2.705 -6.580 -7.807 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 17 . 1916 . 1 1 3 DTR CG C 0.197 -6.600 -7.034 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 17 . 1917 . 1 1 3 DTR CH2 C 4.061 -8.376 -6.881 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 17 . 1918 . 1 1 3 DTR CZ2 C 2.952 -8.859 -6.188 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 17 . 1919 . 1 1 3 DTR CZ3 C 3.939 -7.240 -7.689 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 17 . 1920 . 1 1 3 DTR H H 0.434 -5.412 -5.347 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 17 . 1921 . 1 1 3 DTR HA H -0.926 -3.517 -6.875 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 17 . 1922 . 1 1 3 DTR HB2 H -0.099 -5.367 -8.729 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 17 . 1923 . 1 1 3 DTR HB3 H -1.516 -5.543 -7.694 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 17 . 1924 . 1 1 3 DTR HD1 H -1.476 -7.410 -5.924 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 17 . 1925 . 1 1 3 DTR HE1 H 0.266 -9.150 -5.161 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 17 . 1926 . 1 1 3 DTR HE3 H 2.621 -5.705 -8.433 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 17 . 1927 . 1 1 3 DTR HH2 H 5.014 -8.877 -6.795 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 17 . 1928 . 1 1 3 DTR HZ2 H 3.045 -9.733 -5.563 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 17 . 1929 . 1 1 3 DTR HZ3 H 4.796 -6.870 -8.223 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 17 . 1930 . 1 1 3 DTR N N 0.418 -4.480 -5.628 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 17 . 1931 . 1 1 3 DTR NE1 N 0.471 -8.412 -5.772 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 17 . 1932 . 1 1 3 DTR O O 0.819 -2.969 -8.862 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 17 . 1933 . 1 1 4 THR C C 4.630 -3.033 -7.006 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 17 . 1934 . 1 1 4 THR CA C 3.336 -2.611 -7.719 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 17 . 1935 . 1 1 4 THR CB C 3.165 -1.095 -7.587 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 17 . 1936 . 1 1 4 THR CG2 C 2.784 -0.495 -8.941 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 17 . 1937 . 1 1 4 THR H H 2.301 -3.669 -6.212 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 17 . 1938 . 1 1 4 THR HA H 3.378 -2.868 -8.763 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 17 . 1939 . 1 1 4 THR HB H 4.093 -0.657 -7.253 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 17 . 1940 . 1 1 4 THR HG1 H 1.664 -0.040 -6.940 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 17 . 1941 . 1 1 4 THR HG21 H 2.684 0.576 -8.843 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 17 . 1942 . 1 1 4 THR HG22 H 1.847 -0.914 -9.271 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 17 . 1943 . 1 1 4 THR HG23 H 3.555 -0.719 -9.665 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 17 . 1944 . 1 1 4 THR N N 2.199 -3.290 -7.108 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 17 . 1945 . 1 1 4 THR O O 4.801 -2.728 -5.825 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 17 . 1946 . 1 1 4 THR OG1 O 2.142 -0.817 -6.641 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 17 . 1947 . 1 1 5 PRO C C 7.825 -3.036 -6.910 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 17 . 1948 . 1 1 5 PRO CA C 6.805 -4.167 -7.012 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 17 . 1949 . 1 1 5 PRO CB C 7.311 -5.283 -7.922 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 17 . 1950 . 1 1 5 PRO CD C 5.479 -4.161 -9.071 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 17 . 1951 . 1 1 5 PRO CG C 6.764 -4.972 -9.276 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 17 . 1952 . 1 1 5 PRO HA H 6.599 -4.569 -6.033 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 17 . 1953 . 1 1 5 PRO HB2 H 8.392 -5.281 -7.943 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 17 . 1954 . 1 1 5 PRO HB3 H 6.942 -6.240 -7.582 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 17 . 1955 . 1 1 5 PRO HD2 H 5.466 -3.306 -9.733 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 17 . 1956 . 1 1 5 PRO HD3 H 4.613 -4.780 -9.234 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 17 . 1957 . 1 1 5 PRO HG2 H 7.484 -4.394 -9.839 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 17 . 1958 . 1 1 5 PRO HG3 H 6.533 -5.887 -9.799 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 17 . 1959 . 1 1 5 PRO N N 5.540 -3.726 -7.662 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 17 . 1960 . 1 1 5 PRO O O 9.021 -3.278 -6.745 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 17 . 1961 . 1 1 6 VAL C C 7.735 0.305 -5.820 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 17 . 1962 . 1 1 6 VAL CA C 8.204 -0.630 -6.930 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 17 . 1963 . 1 1 6 VAL CB C 8.197 0.116 -8.264 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 17 . 1964 . 1 1 6 VAL CG1 C 6.764 0.518 -8.616 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 17 . 1965 . 1 1 6 VAL CG2 C 9.065 1.371 -8.149 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 17 . 1966 . 1 1 6 VAL H H 6.374 -1.679 -7.141 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 17 . 1967 . 1 1 6 VAL HA H 9.213 -0.950 -6.714 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 17 . 1968 . 1 1 6 VAL HB H 8.591 -0.526 -9.038 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 17 . 1969 . 1 1 6 VAL HG11 H 6.128 -0.353 -8.587 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 17 . 1970 . 1 1 6 VAL HG12 H 6.745 0.946 -9.609 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 17 . 1971 . 1 1 6 VAL HG13 H 6.409 1.248 -7.903 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 17 . 1972 . 1 1 6 VAL HG21 H 8.511 2.147 -7.640 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 17 . 1973 . 1 1 6 VAL HG22 H 9.338 1.713 -9.137 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 17 . 1974 . 1 1 6 VAL HG23 H 9.959 1.141 -7.589 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 17 . 1975 . 1 1 6 VAL N N 7.338 -1.802 -7.011 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 17 . 1976 . 1 1 6 VAL O O 8.502 1.129 -5.323 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 17 . 1977 . 1 1 7 CYS C C 6.177 0.401 -3.010 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 17 . 1978 . 1 1 7 CYS CA C 5.907 1.010 -4.382 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 17 . 1979 . 1 1 7 CYS CB C 4.398 1.164 -4.586 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 17 . 1980 . 1 1 7 CYS H H 5.903 -0.503 -5.866 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 17 . 1981 . 1 1 7 CYS HA H 6.366 1.986 -4.429 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 17 . 1982 . 1 1 7 CYS HB2 H 4.201 2.059 -5.158 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 17 . 1983 . 1 1 7 CYS HB3 H 4.018 0.305 -5.119 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 17 . 1984 . 1 1 7 CYS N N 6.468 0.171 -5.435 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 17 . 1985 . 1 1 7 CYS O O 6.205 -0.821 -2.863 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 17 . 1986 . 1 1 7 CYS SG S 3.579 1.285 -2.977 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 17 . 1987 . 1 1 8 NH2 HN1 H 6.356 2.160 -2.106 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 17 . 1988 . 1 1 8 NH2 HN2 H 6.554 0.804 -1.103 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 17 . 1989 . 1 1 8 NH2 N N 6.379 1.187 -1.988 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 18 . 1990 . 1 1 1 CYS C C 2.270 -2.111 -2.276 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 18 . 1991 . 1 1 1 CYS CA C 2.077 -1.038 -1.211 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 18 . 1992 . 1 1 1 CYS CB C 1.127 0.043 -1.728 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 18 . 1993 . 1 1 1 CYS H1 H 4.109 -0.749 -1.563 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 18 . 1994 . 1 1 1 CYS H2 H 3.677 -0.706 0.080 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 18 . 1995 . 1 1 1 CYS H3 H 3.317 0.611 -0.931 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 18 . 1996 . 1 1 1 CYS HA H 1.659 -1.487 -0.322 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 18 . 1997 . 1 1 1 CYS HB2 H 0.132 -0.366 -1.820 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 18 . 1998 . 1 1 1 CYS HB3 H 1.112 0.871 -1.034 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 18 . 1999 . 1 1 1 CYS N N 3.394 -0.425 -0.882 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 18 . 2000 . 1 1 1 CYS O O 3.312 -2.173 -2.928 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 18 . 2001 . 1 1 1 CYS SG S 1.693 0.623 -3.347 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 18 . 2002 . 1 1 2 ARG C C 0.841 -3.541 -4.790 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 18 . 2003 . 1 1 2 ARG CA C 1.325 -4.025 -3.429 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 18 . 2004 . 1 1 2 ARG CB C 0.471 -5.202 -2.973 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 18 . 2005 . 1 1 2 ARG CD C 2.056 -7.089 -2.516 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 18 . 2006 . 1 1 2 ARG CG C 1.061 -6.503 -3.519 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 18 . 2007 . 1 1 2 ARG CZ C 1.942 -8.342 -0.439 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 18 . 2008 . 1 1 2 ARG H H 0.453 -2.861 -1.895 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 18 . 2009 . 1 1 2 ARG HA H 2.345 -4.356 -3.522 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 18 . 2010 . 1 1 2 ARG HB2 H 0.452 -5.236 -1.893 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 18 . 2011 . 1 1 2 ARG HB3 H -0.534 -5.081 -3.346 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 18 . 2012 . 1 1 2 ARG HD2 H 2.808 -7.651 -3.051 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 18 . 2013 . 1 1 2 ARG HD3 H 2.533 -6.285 -1.973 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 18 . 2014 . 1 1 2 ARG HE H 0.471 -8.299 -1.796 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 18 . 2015 . 1 1 2 ARG HG2 H 0.263 -7.199 -3.685 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 18 . 2016 . 1 1 2 ARG HG3 H 1.570 -6.314 -4.452 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 18 . 2017 . 1 1 2 ARG HH11 H 0.392 -9.460 0.154 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 18 . 2018 . 1 1 2 ARG HH12 H 1.739 -9.410 1.241 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 18 . 2019 . 1 1 2 ARG HH21 H 3.625 -7.308 -0.770 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 18 . 2020 . 1 1 2 ARG HH22 H 3.570 -8.192 0.718 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 18 . 2021 . 1 1 2 ARG N N 1.258 -2.956 -2.444 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 18 . 2022 . 1 1 2 ARG NE N 1.370 -7.972 -1.581 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 18 . 2023 . 1 1 2 ARG NH1 N 1.309 -9.132 0.383 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 18 . 2024 . 1 1 2 ARG NH2 N 3.139 -7.914 -0.140 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 18 . 2025 . 1 1 2 ARG O O 0.857 -2.345 -5.080 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 18 . 2026 . 1 1 3 DTR C C 1.027 -3.419 -7.732 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 18 . 2027 . 1 1 3 DTR CA C -0.056 -4.162 -6.957 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 18 . 2028 . 1 1 3 DTR CB C -0.432 -5.446 -7.698 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 18 . 2029 . 1 1 3 DTR CD1 C -0.418 -7.470 -6.184 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 18 . 2030 . 1 1 3 DTR CD2 C 1.594 -7.060 -7.098 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 18 . 2031 . 1 1 3 DTR CE2 C 1.747 -8.205 -6.282 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 18 . 2032 . 1 1 3 DTR CE3 C 2.719 -6.586 -7.794 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 18 . 2033 . 1 1 3 DTR CG C 0.211 -6.612 -7.019 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 18 . 2034 . 1 1 3 DTR CH2 C 4.083 -8.371 -6.858 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 18 . 2035 . 1 1 3 DTR CZ2 C 2.976 -8.856 -6.161 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 18 . 2036 . 1 1 3 DTR CZ3 C 3.954 -7.241 -7.672 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 18 . 2037 . 1 1 3 DTR H H 0.440 -5.415 -5.337 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 18 . 2038 . 1 1 3 DTR HA H -0.929 -3.536 -6.873 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 18 . 2039 . 1 1 3 DTR HB2 H -0.087 -5.388 -8.719 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 18 . 2040 . 1 1 3 DTR HB3 H -1.506 -5.568 -7.686 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 18 . 2041 . 1 1 3 DTR HD1 H -1.459 -7.424 -5.903 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 18 . 2042 . 1 1 3 DTR HE1 H 0.292 -9.153 -5.132 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 18 . 2043 . 1 1 3 DTR HE3 H 2.632 -5.715 -8.425 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 18 . 2044 . 1 1 3 DTR HH2 H 5.038 -8.869 -6.770 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 18 . 2045 . 1 1 3 DTR HZ2 H 3.072 -9.726 -5.532 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 18 . 2046 . 1 1 3 DTR HZ3 H 4.811 -6.871 -8.208 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 18 . 2047 . 1 1 3 DTR N N 0.421 -4.484 -5.624 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 18 . 2048 . 1 1 3 DTR NE1 N 0.493 -8.416 -5.746 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 18 . 2049 . 1 1 3 DTR O O 0.808 -2.973 -8.857 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 18 . 2050 . 1 1 4 THR C C 4.627 -3.029 -7.010 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 18 . 2051 . 1 1 4 THR CA C 3.330 -2.617 -7.725 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 18 . 2052 . 1 1 4 THR CB C 3.150 -1.101 -7.597 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 18 . 2053 . 1 1 4 THR CG2 C 2.787 -0.507 -8.958 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 18 . 2054 . 1 1 4 THR H H 2.304 -3.684 -6.217 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 18 . 2055 . 1 1 4 THR HA H 3.374 -2.876 -8.767 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 18 . 2056 . 1 1 4 THR HB H 4.070 -0.659 -7.251 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 18 . 2057 . 1 1 4 THR HG1 H 1.482 -0.239 -7.091 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 18 . 2058 . 1 1 4 THR HG21 H 2.678 0.563 -8.865 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 18 . 2059 . 1 1 4 THR HG22 H 1.857 -0.934 -9.302 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 18 . 2060 . 1 1 4 THR HG23 H 3.570 -0.729 -9.669 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 18 . 2061 . 1 1 4 THR N N 2.198 -3.300 -7.111 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 18 . 2062 . 1 1 4 THR O O 4.798 -2.717 -5.831 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 18 . 2063 . 1 1 4 THR OG1 O 2.112 -0.828 -6.667 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 18 . 2064 . 1 1 5 PRO C C 7.824 -3.016 -6.919 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 18 . 2065 . 1 1 5 PRO CA C 6.808 -4.152 -7.012 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 18 . 2066 . 1 1 5 PRO CB C 7.318 -5.270 -7.916 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 18 . 2067 . 1 1 5 PRO CD C 5.481 -4.163 -9.070 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 18 . 2068 . 1 1 5 PRO CG C 6.769 -4.970 -9.272 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 18 . 2069 . 1 1 5 PRO HA H 6.605 -4.549 -6.031 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 18 . 2070 . 1 1 5 PRO HB2 H 8.398 -5.264 -7.938 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 18 . 2071 . 1 1 5 PRO HB3 H 6.952 -6.227 -7.571 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 18 . 2072 . 1 1 5 PRO HD2 H 5.464 -3.311 -9.736 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 18 . 2073 . 1 1 5 PRO HD3 H 4.618 -4.787 -9.230 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 18 . 2074 . 1 1 5 PRO HG2 H 7.485 -4.390 -9.838 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 18 . 2075 . 1 1 5 PRO HG3 H 6.542 -5.887 -9.791 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 18 . 2076 . 1 1 5 PRO N N 5.540 -3.720 -7.663 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 18 . 2077 . 1 1 5 PRO O O 9.021 -3.253 -6.759 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 18 . 2078 . 1 1 6 VAL C C 7.696 0.355 -5.875 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 18 . 2079 . 1 1 6 VAL CA C 8.196 -0.610 -6.946 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 18 . 2080 . 1 1 6 VAL CB C 8.226 0.099 -8.300 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 18 . 2081 . 1 1 6 VAL CG1 C 6.811 0.542 -8.676 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 18 . 2082 . 1 1 6 VAL CG2 C 9.135 1.327 -8.210 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 18 . 2083 . 1 1 6 VAL H H 6.368 -1.665 -7.145 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 18 . 2084 . 1 1 6 VAL HA H 9.197 -0.923 -6.694 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 18 . 2085 . 1 1 6 VAL HB H 8.603 -0.578 -9.052 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 18 . 2086 . 1 1 6 VAL HG11 H 6.474 1.300 -7.984 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 18 . 2087 . 1 1 6 VAL HG12 H 6.144 -0.306 -8.634 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 18 . 2088 . 1 1 6 VAL HG13 H 6.814 0.946 -9.678 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 18 . 2089 . 1 1 6 VAL HG21 H 10.001 1.090 -7.610 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 18 . 2090 . 1 1 6 VAL HG22 H 8.595 2.144 -7.756 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 18 . 2091 . 1 1 6 VAL HG23 H 9.454 1.613 -9.203 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 18 . 2092 . 1 1 6 VAL N N 7.331 -1.785 -7.019 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 18 . 2093 . 1 1 6 VAL O O 8.388 1.306 -5.510 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 18 . 2094 . 1 1 7 CYS C C 6.141 0.364 -2.961 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 18 . 2095 . 1 1 7 CYS CA C 5.908 0.959 -4.346 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 18 . 2096 . 1 1 7 CYS CB C 4.406 1.120 -4.588 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 18 . 2097 . 1 1 7 CYS H H 5.983 -0.667 -5.704 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 18 . 2098 . 1 1 7 CYS HA H 6.374 1.931 -4.393 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 18 . 2099 . 1 1 7 CYS HB2 H 4.231 1.988 -5.207 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 18 . 2100 . 1 1 7 CYS HB3 H 4.026 0.241 -5.088 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 18 . 2101 . 1 1 7 CYS N N 6.489 0.105 -5.375 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 18 . 2102 . 1 1 7 CYS O O 6.220 -0.854 -2.809 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 18 . 2103 . 1 1 7 CYS SG S 3.555 1.327 -3.004 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 18 . 2104 . 1 1 8 NH2 HN1 H 6.192 2.131 -2.053 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 18 . 2105 . 1 1 8 NH2 HN2 H 6.406 0.787 -1.038 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 18 . 2106 . 1 1 8 NH2 N N 6.255 1.160 -1.932 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 19 . 2107 . 1 1 1 CYS C C 2.271 -2.132 -2.276 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 19 . 2108 . 1 1 1 CYS CA C 2.089 -1.060 -1.208 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 19 . 2109 . 1 1 1 CYS CB C 1.145 0.030 -1.719 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 19 . 2110 . 1 1 1 CYS H1 H 3.678 -0.709 0.091 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 19 . 2111 . 1 1 1 CYS H2 H 3.352 0.579 -0.968 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 19 . 2112 . 1 1 1 CYS H3 H 4.131 -0.818 -1.539 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 19 . 2113 . 1 1 1 CYS HA H 1.671 -1.508 -0.319 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 19 . 2114 . 1 1 1 CYS HB2 H 0.148 -0.374 -1.814 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 19 . 2115 . 1 1 1 CYS HB3 H 1.136 0.853 -1.021 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 19 . 2116 . 1 1 1 CYS N N 3.412 -0.457 -0.881 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 19 . 2117 . 1 1 1 CYS O O 3.311 -2.199 -2.932 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 19 . 2118 . 1 1 1 CYS SG S 1.715 0.614 -3.335 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 19 . 2119 . 1 1 2 ARG C C 0.833 -3.544 -4.791 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 19 . 2120 . 1 1 2 ARG CA C 1.311 -4.037 -3.431 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 19 . 2121 . 1 1 2 ARG CB C 0.444 -5.205 -2.977 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 19 . 2122 . 1 1 2 ARG CD C 2.001 -7.117 -2.519 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 19 . 2123 . 1 1 2 ARG CG C 1.019 -6.512 -3.525 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 19 . 2124 . 1 1 2 ARG CZ C 1.856 -8.379 -0.449 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 19 . 2125 . 1 1 2 ARG H H 0.452 -2.871 -1.890 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 19 . 2126 . 1 1 2 ARG HA H 2.327 -4.379 -3.523 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 19 . 2127 . 1 1 2 ARG HB2 H 0.423 -5.242 -1.897 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 19 . 2128 . 1 1 2 ARG HB3 H -0.561 -5.074 -3.351 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 19 . 2129 . 1 1 2 ARG HD2 H 2.749 -7.685 -3.053 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 19 . 2130 . 1 1 2 ARG HD3 H 2.485 -6.323 -1.967 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 19 . 2131 . 1 1 2 ARG HE H 0.398 -8.313 -1.819 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 19 . 2132 . 1 1 2 ARG HG2 H 0.213 -7.198 -3.698 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 19 . 2133 . 1 1 2 ARG HG3 H 1.535 -6.328 -4.454 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 19 . 2134 . 1 1 2 ARG HH11 H 0.288 -9.483 0.125 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 19 . 2135 . 1 1 2 ARG HH12 H 1.625 -9.452 1.225 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 19 . 2136 . 1 1 2 ARG HH21 H 3.552 -7.362 -0.760 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 19 . 2137 . 1 1 2 ARG HH22 H 3.473 -8.252 0.724 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 19 . 2138 . 1 1 2 ARG N N 1.254 -2.970 -2.443 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 19 . 2139 . 1 1 2 ARG NE N 1.298 -7.998 -1.593 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 19 . 2140 . 1 1 2 ARG NH1 N 1.205 -9.166 0.363 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 19 . 2141 . 1 1 2 ARG NH2 N 3.054 -7.966 -0.137 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 19 . 2142 . 1 1 2 ARG O O 0.857 -2.347 -5.076 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 19 . 2143 . 1 1 3 DTR C C 1.027 -3.413 -7.734 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 19 . 2144 . 1 1 3 DTR CA C -0.062 -4.152 -6.962 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 19 . 2145 . 1 1 3 DTR CB C -0.444 -5.433 -7.708 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 19 . 2146 . 1 1 3 DTR CD1 C -0.443 -7.462 -6.201 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 19 . 2147 . 1 1 3 DTR CD2 C 1.575 -7.053 -7.101 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 19 . 2148 . 1 1 3 DTR CE2 C 1.720 -8.201 -6.288 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 19 . 2149 . 1 1 3 DTR CE3 C 2.706 -6.580 -7.786 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 19 . 2150 . 1 1 3 DTR CG C 0.193 -6.604 -7.029 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 19 . 2151 . 1 1 3 DTR CH2 C 4.060 -8.371 -6.848 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 19 . 2152 . 1 1 3 DTR CZ2 C 2.947 -8.856 -6.160 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 19 . 2153 . 1 1 3 DTR CZ3 C 3.939 -7.236 -7.659 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 19 . 2154 . 1 1 3 DTR H H 0.423 -5.414 -5.345 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 19 . 2155 . 1 1 3 DTR HA H -0.932 -3.523 -6.879 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 19 . 2156 . 1 1 3 DTR HB2 H -0.095 -5.374 -8.728 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 19 . 2157 . 1 1 3 DTR HB3 H -1.518 -5.550 -7.699 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 19 . 2158 . 1 1 3 DTR HD1 H -1.486 -7.415 -5.928 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 19 . 2159 . 1 1 3 DTR HE1 H 0.255 -9.150 -5.150 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 19 . 2160 . 1 1 3 DTR HE3 H 2.624 -5.706 -8.415 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 19 . 2161 . 1 1 3 DTR HH2 H 5.013 -8.869 -6.755 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 19 . 2162 . 1 1 3 DTR HZ2 H 3.038 -9.728 -5.534 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 19 . 2163 . 1 1 3 DTR HZ3 H 4.800 -6.867 -8.188 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 19 . 2164 . 1 1 3 DTR N N 0.410 -4.482 -5.628 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 19 . 2165 . 1 1 3 DTR NE1 N 0.462 -8.412 -5.761 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 19 . 2166 . 1 1 3 DTR O O 0.814 -2.968 -8.860 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 19 . 2167 . 1 1 4 THR C C 4.626 -3.031 -7.002 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 19 . 2168 . 1 1 4 THR CA C 3.332 -2.617 -7.720 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 19 . 2169 . 1 1 4 THR CB C 3.155 -1.100 -7.592 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 19 . 2170 . 1 1 4 THR CG2 C 2.793 -0.504 -8.953 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 19 . 2171 . 1 1 4 THR H H 2.298 -3.679 -6.214 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 19 . 2172 . 1 1 4 THR HA H 3.376 -2.875 -8.762 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 19 . 2173 . 1 1 4 THR HB H 4.077 -0.659 -7.246 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 19 . 2174 . 1 1 4 THR HG1 H 2.410 -0.102 -6.099 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 19 . 2175 . 1 1 4 THR HG21 H 2.687 0.566 -8.860 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 19 . 2176 . 1 1 4 THR HG22 H 1.861 -0.928 -9.295 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 19 . 2177 . 1 1 4 THR HG23 H 3.573 -0.729 -9.665 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 19 . 2178 . 1 1 4 THR N N 2.196 -3.296 -7.109 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 19 . 2179 . 1 1 4 THR O O 4.795 -2.719 -5.823 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 19 . 2180 . 1 1 4 THR OG1 O 2.119 -0.823 -6.661 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 19 . 2181 . 1 1 5 PRO C C 7.822 -3.026 -6.905 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 19 . 2182 . 1 1 5 PRO CA C 6.804 -4.159 -6.998 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 19 . 2183 . 1 1 5 PRO CB C 7.312 -5.281 -7.900 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 19 . 2184 . 1 1 5 PRO CD C 5.481 -4.169 -9.060 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 19 . 2185 . 1 1 5 PRO CG C 6.765 -4.982 -9.258 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 19 . 2186 . 1 1 5 PRO HA H 6.597 -4.556 -6.017 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 19 . 2187 . 1 1 5 PRO HB2 H 8.393 -5.277 -7.921 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 19 . 2188 . 1 1 5 PRO HB3 H 6.945 -6.236 -7.555 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 19 . 2189 . 1 1 5 PRO HD2 H 5.470 -3.318 -9.727 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 19 . 2190 . 1 1 5 PRO HD3 H 4.616 -4.789 -9.222 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 19 . 2191 . 1 1 5 PRO HG2 H 7.485 -4.408 -9.825 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 19 . 2192 . 1 1 5 PRO HG3 H 6.536 -5.901 -9.774 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 19 . 2193 . 1 1 5 PRO N N 5.538 -3.725 -7.653 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 19 . 2194 . 1 1 5 PRO O O 9.018 -3.266 -6.739 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 19 . 2195 . 1 1 6 VAL C C 7.726 0.324 -5.838 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 19 . 2196 . 1 1 6 VAL CA C 8.199 -0.620 -6.940 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 19 . 2197 . 1 1 6 VAL CB C 8.195 0.115 -8.280 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 19 . 2198 . 1 1 6 VAL CG1 C 6.963 1.018 -8.365 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 19 . 2199 . 1 1 6 VAL CG2 C 9.460 0.968 -8.396 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 19 . 2200 . 1 1 6 VAL H H 6.371 -1.673 -7.144 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 19 . 2201 . 1 1 6 VAL HA H 9.206 -0.937 -6.720 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 19 . 2202 . 1 1 6 VAL HB H 8.168 -0.605 -9.085 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 19 . 2203 . 1 1 6 VAL HG11 H 7.156 1.940 -7.835 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 19 . 2204 . 1 1 6 VAL HG12 H 6.117 0.517 -7.918 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 19 . 2205 . 1 1 6 VAL HG13 H 6.747 1.236 -9.400 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 19 . 2206 . 1 1 6 VAL HG21 H 9.808 1.230 -7.409 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 19 . 2207 . 1 1 6 VAL HG22 H 9.237 1.867 -8.951 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 19 . 2208 . 1 1 6 VAL HG23 H 10.226 0.408 -8.911 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 19 . 2209 . 1 1 6 VAL N N 7.333 -1.795 -7.013 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 19 . 2210 . 1 1 6 VAL O O 8.478 1.186 -5.383 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 19 . 2211 . 1 1 7 CYS C C 6.163 0.384 -2.993 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 19 . 2212 . 1 1 7 CYS CA C 5.915 1.001 -4.367 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 19 . 2213 . 1 1 7 CYS CB C 4.412 1.176 -4.587 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 19 . 2214 . 1 1 7 CYS H H 5.923 -0.546 -5.816 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 19 . 2215 . 1 1 7 CYS HA H 6.389 1.970 -4.407 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 19 . 2216 . 1 1 7 CYS HB2 H 4.233 2.071 -5.164 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 19 . 2217 . 1 1 7 CYS HB3 H 4.023 0.321 -5.120 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 19 . 2218 . 1 1 7 CYS N N 6.477 0.156 -5.416 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 19 . 2219 . 1 1 7 CYS O O 6.039 -0.828 -2.821 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 19 . 2220 . 1 1 7 CYS SG S 3.578 1.316 -2.985 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 19 . 2221 . 1 1 8 NH2 HN1 H 6.604 2.120 -2.135 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 19 . 2222 . 1 1 8 NH2 HN2 H 6.668 0.767 -1.112 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 19 . 2223 . 1 1 8 NH2 N N 6.507 1.155 -1.998 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 1 . 20 . 2224 . 1 1 1 CYS C C 2.278 -2.120 -2.293 . . . 1.0 . . . . . . . . . . . . A . 1 CYS C . . . . . . . . . c30152_5l34 1 . 20 . 2225 . 1 1 1 CYS CA C 2.100 -1.046 -1.226 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CA . . . . . . . . . c30152_5l34 1 . 20 . 2226 . 1 1 1 CYS CB C 1.148 0.039 -1.733 . . . 1.0 . . . . . . . . . . . . A . 1 CYS CB . . . . . . . . . c30152_5l34 1 . 20 . 2227 . 1 1 1 CYS H1 H 4.129 -0.768 -1.596 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H1 . . . . . . . . . c30152_5l34 1 . 20 . 2228 . 1 1 1 CYS H2 H 3.711 -0.717 0.050 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H2 . . . . . . . . . c30152_5l34 1 . 20 . 2229 . 1 1 1 CYS H3 H 3.349 0.598 -0.963 . . . 1.0 . . . . . . . . . . . . A . 1 CYS H3 . . . . . . . . . c30152_5l34 1 . 20 . 2230 . 1 1 1 CYS HA H 1.689 -1.494 -0.334 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HA . . . . . . . . . c30152_5l34 1 . 20 . 2231 . 1 1 1 CYS HB2 H 0.153 -0.370 -1.826 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB2 . . . . . . . . . c30152_5l34 1 . 20 . 2232 . 1 1 1 CYS HB3 H 1.134 0.861 -1.034 . . . 1.0 . . . . . . . . . . . . A . 1 CYS HB3 . . . . . . . . . c30152_5l34 1 . 20 . 2233 . 1 1 1 CYS N N 3.422 -0.437 -0.910 . . . 1.0 . . . . . . . . . . . . A . 1 CYS N . . . . . . . . . c30152_5l34 1 . 20 . 2234 . 1 1 1 CYS O O 3.311 -2.181 -2.960 . . . 1.0 . . . . . . . . . . . . A . 1 CYS O . . . . . . . . . c30152_5l34 1 . 20 . 2235 . 1 1 1 CYS SG S 1.710 0.630 -3.350 . . . 1.0 . . . . . . . . . . . . A . 1 CYS SG . . . . . . . . . c30152_5l34 1 . 20 . 2236 . 1 1 2 ARG C C 0.838 -3.546 -4.793 . . . 1.0 . . . . . . . . . . . . A . 2 ARG C . . . . . . . . . c30152_5l34 1 . 20 . 2237 . 1 1 2 ARG CA C 1.320 -4.034 -3.434 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CA . . . . . . . . . c30152_5l34 1 . 20 . 2238 . 1 1 2 ARG CB C 0.456 -5.203 -2.976 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CB . . . . . . . . . c30152_5l34 1 . 20 . 2239 . 1 1 2 ARG CD C 2.023 -7.106 -2.519 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CD . . . . . . . . . c30152_5l34 1 . 20 . 2240 . 1 1 2 ARG CG C 1.033 -6.510 -3.522 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CG . . . . . . . . . c30152_5l34 1 . 20 . 2241 . 1 1 2 ARG CZ C 1.893 -8.352 -0.438 . . . 1.0 . . . . . . . . . . . . A . 2 ARG CZ . . . . . . . . . c30152_5l34 1 . 20 . 2242 . 1 1 2 ARG H H 0.467 -2.871 -1.889 . . . 1.0 . . . . . . . . . . . . A . 2 ARG H . . . . . . . . . c30152_5l34 1 . 20 . 2243 . 1 1 2 ARG HA H 2.337 -4.375 -3.529 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HA . . . . . . . . . c30152_5l34 1 . 20 . 2244 . 1 1 2 ARG HB2 H 0.438 -5.238 -1.895 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB2 . . . . . . . . . c30152_5l34 1 . 20 . 2245 . 1 1 2 ARG HB3 H -0.549 -5.074 -3.347 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HB3 . . . . . . . . . c30152_5l34 1 . 20 . 2246 . 1 1 2 ARG HD2 H 2.769 -7.675 -3.053 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD2 . . . . . . . . . c30152_5l34 1 . 20 . 2247 . 1 1 2 ARG HD3 H 2.506 -6.309 -1.974 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HD3 . . . . . . . . . c30152_5l34 1 . 20 . 2248 . 1 1 2 ARG HE H 0.429 -8.308 -1.804 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HE . . . . . . . . . c30152_5l34 1 . 20 . 2249 . 1 1 2 ARG HG2 H 0.229 -7.200 -3.688 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG2 . . . . . . . . . c30152_5l34 1 . 20 . 2250 . 1 1 2 ARG HG3 H 1.544 -6.327 -4.454 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HG3 . . . . . . . . . c30152_5l34 1 . 20 . 2251 . 1 1 2 ARG HH11 H 0.335 -9.464 0.150 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH11 . . . . . . . . . c30152_5l34 1 . 20 . 2252 . 1 1 2 ARG HH12 H 1.676 -9.415 1.245 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH12 . . . . . . . . . c30152_5l34 1 . 20 . 2253 . 1 1 2 ARG HH21 H 3.580 -7.324 -0.763 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH21 . . . . . . . . . c30152_5l34 1 . 20 . 2254 . 1 1 2 ARG HH22 H 3.514 -8.203 0.728 . . . 1.0 . . . . . . . . . . . . A . 2 ARG HH22 . . . . . . . . . c30152_5l34 1 . 20 . 2255 . 1 1 2 ARG N N 1.265 -2.965 -2.449 . . . 1.0 . . . . . . . . . . . . A . 2 ARG N . . . . . . . . . c30152_5l34 1 . 20 . 2256 . 1 1 2 ARG NE N 1.328 -7.983 -1.583 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NE . . . . . . . . . c30152_5l34 1 . 20 . 2257 . 1 1 2 ARG NH1 N 1.251 -9.138 0.383 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH1 . . . . . . . . . c30152_5l34 1 . 20 . 2258 . 1 1 2 ARG NH2 N 3.088 -7.927 -0.134 . . . 1.0 . . . . . . . . . . . . A . 2 ARG NH2 . . . . . . . . . c30152_5l34 1 . 20 . 2259 . 1 1 2 ARG O O 0.862 -2.350 -5.082 . . . 1.0 . . . . . . . . . . . . A . 2 ARG O . . . . . . . . . c30152_5l34 1 . 20 . 2260 . 1 1 3 DTR C C 1.020 -3.415 -7.732 . . . 1.0 . . . . . . . . . . . . A . 3 DTR C . . . . . . . . . c30152_5l34 1 . 20 . 2261 . 1 1 3 DTR CA C -0.065 -4.160 -6.961 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CA . . . . . . . . . c30152_5l34 1 . 20 . 2262 . 1 1 3 DTR CB C -0.439 -5.444 -7.704 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CB . . . . . . . . . c30152_5l34 1 . 20 . 2263 . 1 1 3 DTR CD1 C -0.433 -7.468 -6.191 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD1 . . . . . . . . . c30152_5l34 1 . 20 . 2264 . 1 1 3 DTR CD2 C 1.582 -7.059 -7.097 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CD2 . . . . . . . . . c30152_5l34 1 . 20 . 2265 . 1 1 3 DTR CE2 C 1.731 -8.204 -6.280 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE2 . . . . . . . . . c30152_5l34 1 . 20 . 2266 . 1 1 3 DTR CE3 C 2.711 -6.587 -7.786 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CE3 . . . . . . . . . c30152_5l34 1 . 20 . 2267 . 1 1 3 DTR CG C 0.199 -6.611 -7.023 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CG . . . . . . . . . c30152_5l34 1 . 20 . 2268 . 1 1 3 DTR CH2 C 4.069 -8.373 -6.844 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CH2 . . . . . . . . . c30152_5l34 1 . 20 . 2269 . 1 1 3 DTR CZ2 C 2.959 -8.856 -6.153 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ2 . . . . . . . . . c30152_5l34 1 . 20 . 2270 . 1 1 3 DTR CZ3 C 3.945 -7.242 -7.659 . . . 1.0 . . . . . . . . . . . . A . 3 DTR CZ3 . . . . . . . . . c30152_5l34 1 . 20 . 2271 . 1 1 3 DTR H H 0.424 -5.417 -5.341 . . . 1.0 . . . . . . . . . . . . A . 3 DTR H . . . . . . . . . c30152_5l34 1 . 20 . 2272 . 1 1 3 DTR HA H -0.938 -3.535 -6.877 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HA . . . . . . . . . c30152_5l34 1 . 20 . 2273 . 1 1 3 DTR HB2 H -0.088 -5.385 -8.724 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB2 . . . . . . . . . c30152_5l34 1 . 20 . 2274 . 1 1 3 DTR HB3 H -1.513 -5.564 -7.699 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HB3 . . . . . . . . . c30152_5l34 1 . 20 . 2275 . 1 1 3 DTR HD1 H -1.476 -7.420 -5.915 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HD1 . . . . . . . . . c30152_5l34 1 . 20 . 2276 . 1 1 3 DTR HE1 H 0.269 -9.151 -5.135 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE1 . . . . . . . . . c30152_5l34 1 . 20 . 2277 . 1 1 3 DTR HE3 H 2.627 -5.716 -8.417 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HE3 . . . . . . . . . c30152_5l34 1 . 20 . 2278 . 1 1 3 DTR HH2 H 5.023 -8.870 -6.752 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HH2 . . . . . . . . . c30152_5l34 1 . 20 . 2279 . 1 1 3 DTR HZ2 H 3.051 -9.726 -5.523 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ2 . . . . . . . . . c30152_5l34 1 . 20 . 2280 . 1 1 3 DTR HZ3 H 4.805 -6.873 -8.192 . . . 1.0 . . . . . . . . . . . . A . 3 DTR HZ3 . . . . . . . . . c30152_5l34 1 . 20 . 2281 . 1 1 3 DTR N N 0.411 -4.486 -5.627 . . . 1.0 . . . . . . . . . . . . A . 3 DTR N . . . . . . . . . c30152_5l34 1 . 20 . 2282 . 1 1 3 DTR NE1 N 0.474 -8.415 -5.749 . . . 1.0 . . . . . . . . . . . . A . 3 DTR NE1 . . . . . . . . . c30152_5l34 1 . 20 . 2283 . 1 1 3 DTR O O 0.800 -2.960 -8.853 . . . 1.0 . . . . . . . . . . . . A . 3 DTR O . . . . . . . . . c30152_5l34 1 . 20 . 2284 . 1 1 4 THR C C 4.620 -3.030 -7.003 . . . 1.0 . . . . . . . . . . . . A . 4 THR C . . . . . . . . . c30152_5l34 1 . 20 . 2285 . 1 1 4 THR CA C 3.325 -2.619 -7.722 . . . 1.0 . . . . . . . . . . . . A . 4 THR CA . . . . . . . . . c30152_5l34 1 . 20 . 2286 . 1 1 4 THR CB C 3.142 -1.105 -7.596 . . . 1.0 . . . . . . . . . . . . A . 4 THR CB . . . . . . . . . c30152_5l34 1 . 20 . 2287 . 1 1 4 THR CG2 C 2.790 -0.508 -8.958 . . . 1.0 . . . . . . . . . . . . A . 4 THR CG2 . . . . . . . . . c30152_5l34 1 . 20 . 2288 . 1 1 4 THR H H 2.298 -3.694 -6.221 . . . 1.0 . . . . . . . . . . . . A . 4 THR H . . . . . . . . . c30152_5l34 1 . 20 . 2289 . 1 1 4 THR HA H 3.372 -2.879 -8.764 . . . 1.0 . . . . . . . . . . . . A . 4 THR HA . . . . . . . . . c30152_5l34 1 . 20 . 2290 . 1 1 4 THR HB H 4.059 -0.660 -7.241 . . . 1.0 . . . . . . . . . . . . A . 4 THR HB . . . . . . . . . c30152_5l34 1 . 20 . 2291 . 1 1 4 THR HG1 H 1.400 -0.368 -7.142 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG1 . . . . . . . . . c30152_5l34 1 . 20 . 2292 . 1 1 4 THR HG21 H 2.684 0.563 -8.866 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG21 . . . . . . . . . c30152_5l34 1 . 20 . 2293 . 1 1 4 THR HG22 H 1.860 -0.931 -9.306 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG22 . . . . . . . . . c30152_5l34 1 . 20 . 2294 . 1 1 4 THR HG23 H 3.575 -0.732 -9.665 . . . 1.0 . . . . . . . . . . . . A . 4 THR HG23 . . . . . . . . . c30152_5l34 1 . 20 . 2295 . 1 1 4 THR N N 2.192 -3.303 -7.112 . . . 1.0 . . . . . . . . . . . . A . 4 THR N . . . . . . . . . c30152_5l34 1 . 20 . 2296 . 1 1 4 THR O O 4.786 -2.714 -5.824 . . . 1.0 . . . . . . . . . . . . A . 4 THR O . . . . . . . . . c30152_5l34 1 . 20 . 2297 . 1 1 4 THR OG1 O 2.097 -0.831 -6.672 . . . 1.0 . . . . . . . . . . . . A . 4 THR OG1 . . . . . . . . . c30152_5l34 1 . 20 . 2298 . 1 1 5 PRO C C 7.817 -3.019 -6.904 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . c30152_5l34 1 . 20 . 2299 . 1 1 5 PRO CA C 6.801 -4.153 -6.994 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . c30152_5l34 1 . 20 . 2300 . 1 1 5 PRO CB C 7.311 -5.276 -7.892 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . c30152_5l34 1 . 20 . 2301 . 1 1 5 PRO CD C 5.480 -4.170 -9.057 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . c30152_5l34 1 . 20 . 2302 . 1 1 5 PRO CG C 6.765 -4.980 -9.251 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . c30152_5l34 1 . 20 . 2303 . 1 1 5 PRO HA H 6.594 -4.546 -6.012 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . c30152_5l34 1 . 20 . 2304 . 1 1 5 PRO HB2 H 8.392 -5.272 -7.912 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . c30152_5l34 1 . 20 . 2305 . 1 1 5 PRO HB3 H 6.944 -6.231 -7.544 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . c30152_5l34 1 . 20 . 2306 . 1 1 5 PRO HD2 H 5.468 -3.320 -9.726 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . c30152_5l34 1 . 20 . 2307 . 1 1 5 PRO HD3 H 4.615 -4.791 -9.218 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . c30152_5l34 1 . 20 . 2308 . 1 1 5 PRO HG2 H 7.485 -4.407 -9.820 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . c30152_5l34 1 . 20 . 2309 . 1 1 5 PRO HG3 H 6.536 -5.901 -9.765 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . c30152_5l34 1 . 20 . 2310 . 1 1 5 PRO N N 5.534 -3.723 -7.652 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . c30152_5l34 1 . 20 . 2311 . 1 1 5 PRO O O 9.013 -3.257 -6.737 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . c30152_5l34 1 . 20 . 2312 . 1 1 6 VAL C C 7.710 0.342 -5.854 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . c30152_5l34 1 . 20 . 2313 . 1 1 6 VAL CA C 8.193 -0.613 -6.941 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . c30152_5l34 1 . 20 . 2314 . 1 1 6 VAL CB C 8.202 0.110 -8.289 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . c30152_5l34 1 . 20 . 2315 . 1 1 6 VAL CG1 C 6.968 1.008 -8.395 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . c30152_5l34 1 . 20 . 2316 . 1 1 6 VAL CG2 C 9.466 0.966 -8.397 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . c30152_5l34 1 . 20 . 2317 . 1 1 6 VAL H H 6.365 -1.665 -7.143 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . c30152_5l34 1 . 20 . 2318 . 1 1 6 VAL HA H 9.198 -0.928 -6.709 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . c30152_5l34 1 . 20 . 2319 . 1 1 6 VAL HB H 8.188 -0.618 -9.087 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . c30152_5l34 1 . 20 . 2320 . 1 1 6 VAL HG11 H 6.125 0.518 -7.931 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . c30152_5l34 1 . 20 . 2321 . 1 1 6 VAL HG12 H 6.748 1.195 -9.435 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . c30152_5l34 1 . 20 . 2322 . 1 1 6 VAL HG13 H 7.161 1.944 -7.893 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . c30152_5l34 1 . 20 . 2323 . 1 1 6 VAL HG21 H 9.792 1.255 -7.409 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . c30152_5l34 1 . 20 . 2324 . 1 1 6 VAL HG22 H 9.252 1.852 -8.979 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . c30152_5l34 1 . 20 . 2325 . 1 1 6 VAL HG23 H 10.246 0.398 -8.882 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . c30152_5l34 1 . 20 . 2326 . 1 1 6 VAL N N 7.327 -1.787 -7.012 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . c30152_5l34 1 . 20 . 2327 . 1 1 6 VAL O O 8.434 1.252 -5.448 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . c30152_5l34 1 . 20 . 2328 . 1 1 7 CYS C C 6.137 0.365 -2.970 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . c30152_5l34 1 . 20 . 2329 . 1 1 7 CYS CA C 5.915 0.982 -4.347 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . c30152_5l34 1 . 20 . 2330 . 1 1 7 CYS CB C 4.416 1.170 -4.589 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . c30152_5l34 1 . 20 . 2331 . 1 1 7 CYS H H 5.951 -0.608 -5.749 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . c30152_5l34 1 . 20 . 2332 . 1 1 7 CYS HA H 6.396 1.947 -4.381 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . c30152_5l34 1 . 20 . 2333 . 1 1 7 CYS HB2 H 4.256 2.056 -5.185 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . c30152_5l34 1 . 20 . 2334 . 1 1 7 CYS HB3 H 4.024 0.309 -5.109 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . c30152_5l34 1 . 20 . 2335 . 1 1 7 CYS N N 6.483 0.131 -5.387 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . c30152_5l34 1 . 20 . 2336 . 1 1 7 CYS O O 6.194 -0.857 -2.834 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . c30152_5l34 1 . 20 . 2337 . 1 1 7 CYS SG S 3.565 1.352 -3.001 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . c30152_5l34 1 . 20 . 2338 . 1 1 8 NH2 HN1 H 6.221 2.118 -2.041 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN1 . . . . . . . . . c30152_5l34 1 . 20 . 2339 . 1 1 8 NH2 HN2 H 6.410 0.758 -1.043 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 HN2 . . . . . . . . . c30152_5l34 1 . 20 . 2340 . 1 1 8 NH2 N N 6.266 1.145 -1.931 . . . 1.0 . . . . . . . . . . . . A . 8 NH2 N . . . . . . . . . c30152_5l34 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 c30152_5l34 _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 5l34.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c30152_5l34 1 1 5l34.mr . . DYANA/DIANA 2 distance NOE simple 73 c30152_5l34 1 1 5l34.mr . . DYANA/DIANA 3 'dihedral angle' 'Not applicable' 'Not applicable' 2 c30152_5l34 1 1 5l34.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c30152_5l34 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 c30152_5l34 _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 . . . . c30152_5l34 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 3 3 DTR HA H . . . 1 1 3 3 DTR HD1 H . . . . . . . 4.56 . . . . . A . 3 DTR HA . . A . 3 DTR HD1 . . . 3 DTRP HA . . . . . 3 DTRP HD1 . . c30152_5l34 1 2 1 . . 1 1 3 3 DTR HD1 H . . . 1 1 2 2 ARG HA H . . . . . . . 4.88 . . . . . A . 3 DTR HD1 . . A . 2 ARG HA . . . 3 DTRP HD1 . . . . . 2 ARG HA . . c30152_5l34 1 3 1 . . 1 1 4 4 THR HB H . . . 1 1 6 6 VAL H H . . . . . . . 4.57 . . . . . A . 4 THR HB . . A . 6 VAL H . . . 4 THR HB . . . . . 6 VAL H . . c30152_5l34 1 4 1 . . 1 1 3 3 DTR HH2 H . . . 1 1 5 5 PRO HA H . . . . . . . 4.64 . . . . . A . 3 DTR HH2 . . A . 5 PRO HA . . . 3 DTRP HH2 . . . . . 5 PRO HA . . c30152_5l34 1 5 1 . . 1 1 3 3 DTR HZ3 H . . . 1 1 4 4 THR HA H . . . . . . . 4.90 . . . . . A . 3 DTR HZ3 . . A . 4 THR HA . . . 3 DTRP HZ3 . . . . . 4 THR HA . . c30152_5l34 1 6 1 . . 1 1 2 2 ARG HA H . . . 1 1 3 3 DTR H H . . . . . . . 2.72 . . . . . A . 2 ARG HA . . A . 3 DTR H . . . 2 ARG HA . . . . . 3 DTRP H . . c30152_5l34 1 7 1 . . 1 1 3 3 DTR HD1 H . . . 1 1 3 3 DTR HB2 H . . . . . . . 3.83 . . . . . A . 3 DTR HD1 . . A . 3 DTR HB2 . . . 3 DTRP HD1 . . . . . 3 DTRP HB2 . . c30152_5l34 1 8 1 . . 1 1 3 3 DTR HD1 H . . . 1 1 3 3 DTR HB3 H . . . . . . . 3.31 . . . . . A . 3 DTR HD1 . . A . 3 DTR HB3 . . . 3 DTRP HD1 . . . . . 3 DTRP HB3 . . c30152_5l34 1 9 1 . . 1 1 3 3 DTR HB2 H . . . 1 1 3 3 DTR HE3 H . . . . . . . 3.82 . . . . . A . 3 DTR HB2 . . A . 3 DTR HE3 . . . 3 DTRP HB2 . . . . . 3 DTRP HE3 . . c30152_5l34 1 10 1 . . 1 1 2 2 ARG HD2 H . . . 1 1 3 3 DTR HZ2 H . . . . . . . 4.98 . . . . . A . 2 ARG HD2 . . A . 3 DTR HZ2 . . . 2 ARG HD2 . . . . . 3 DTRP HZ2 . . c30152_5l34 1 11 1 . . 1 1 3 3 DTR H H . . . 1 1 3 3 DTR HB3 H . . . . . . . 3.83 . . . . . A . 3 DTR H . . A . 3 DTR HB3 . . . 3 DTRP H . . . . . 3 DTRP HB3 . . c30152_5l34 1 12 1 . . 1 1 2 2 ARG H H . . . 1 1 1 1 CYS HB2 H . . . . . . . 3.85 . . . . . A . 2 ARG H . . A . 1 CYS HB2 . . . 2 ARG H . . . . . 1 CYSS HB2 . . c30152_5l34 1 13 1 . . 1 1 6 6 VAL HB H . . . 1 1 7 7 CYS H H . . . . . . . 4.25 . . . . . A . 6 VAL HB . . A . 7 CYS H . . . 6 VAL HB . . . . . 7 CYSS H . . c30152_5l34 1 14 1 . . 1 1 2 2 ARG HD3 H . . . 1 1 3 3 DTR HE1 H . . . . . . . 5.06 . . . . . A . 2 ARG HD3 . . A . 3 DTR HE1 . . . 2 ARG HD3 . . . . . 3 DTRP HE1 . . c30152_5l34 1 15 1 . . 1 1 2 2 ARG HD2 H . . . 1 1 3 3 DTR HE1 H . . . . . . . 4.73 . . . . . A . 2 ARG HD2 . . A . 3 DTR HE1 . . . 2 ARG HD2 . . . . . 3 DTRP HE1 . . c30152_5l34 1 16 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HB2 H . . . . . . . 3.98 . . . . . A . 2 ARG H . . A . 2 ARG HB2 . . . 2 ARG H . . . . . 2 ARG HB2 . . c30152_5l34 1 17 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HB3 H . . . . . . . 3.98 . . . . . A . 2 ARG H . . A . 2 ARG HB3 . . . 2 ARG H . . . . . 2 ARG HB3 . . c30152_5l34 1 18 1 . . 1 1 3 3 DTR H H . . . 1 1 2 2 ARG HB2 H . . . . . . . 4.64 . . . . . A . 3 DTR H . . A . 2 ARG HB2 . . . 3 DTRP H . . . . . 2 ARG HB2 . . c30152_5l34 1 19 1 . . 1 1 3 3 DTR H H . . . 1 1 2 2 ARG HB3 H . . . . . . . 4.64 . . . . . A . 3 DTR H . . A . 2 ARG HB3 . . . 3 DTRP H . . . . . 2 ARG HB3 . . c30152_5l34 1 20 1 . . 1 1 7 7 CYS H H . . . 1 1 6 6 VAL MG1 H . . . . . . . 4.02 . . . . . A . 7 CYS H . . A . 6 VAL MG1 . . . 7 CYSS H . . . . . 6 VAL QG1 . . c30152_5l34 1 21 1 . . 1 1 7 7 CYS H H . . . 1 1 4 4 THR MG H . . . . . . . 5.03 . . . . . A . 7 CYS H . . A . 4 THR MG . . . 7 CYSS H . . . . . 4 THR QG2 . . c30152_5l34 1 22 1 . . 1 1 6 6 VAL H H . . . 1 1 4 4 THR MG H . . . . . . . 4.40 . . . . . A . 6 VAL H . . A . 4 THR MG . . . 6 VAL H . . . . . 4 THR QG2 . . c30152_5l34 1 23 1 . . 1 1 4 4 THR MG H . . . 1 1 4 4 THR H H . . . . . . . 4.10 . . . . . A . 4 THR MG . . A . 4 THR H . . . 4 THR QG2 . . . . . 4 THR H . . c30152_5l34 1 24 1 . . 1 1 6 6 VAL H H . . . 1 1 6 6 VAL MG1 H . . . . . . . 3.23 . . . . . A . 6 VAL H . . A . 6 VAL MG1 . . . 6 VAL H . . . . . 6 VAL QG1 . . c30152_5l34 1 25 1 . . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HB2 H . . . . . . . 4.54 . . . . . A . 2 ARG HE . . A . 2 ARG HB2 . . . 2 ARG HE . . . . . 2 ARG HB2 . . c30152_5l34 1 26 1 . . 1 1 2 2 ARG HE H . . . 1 1 2 2 ARG HB3 H . . . . . . . 4.54 . . . . . A . 2 ARG HE . . A . 2 ARG HB3 . . . 2 ARG HE . . . . . 2 ARG HB3 . . c30152_5l34 1 27 1 . . 1 1 3 3 DTR HD1 H . . . 1 1 2 2 ARG HB2 H . . . . . . . 5.42 . . . . . A . 3 DTR HD1 . . A . 2 ARG HB2 . . . 3 DTRP HD1 . . . . . 2 ARG HB2 . . c30152_5l34 1 28 1 . . 1 1 6 6 VAL H H . . . 1 1 6 6 VAL HB H . . . . . . . 3.48 . . . . . A . 6 VAL H . . A . 6 VAL HB . . . 6 VAL H . . . . . 6 VAL HB . . c30152_5l34 1 29 1 . . 1 1 3 3 DTR HD1 H . . . 1 1 3 3 DTR H H . . . . . . . 3.95 . . . . . A . 3 DTR HD1 . . A . 3 DTR H . . . 3 DTRP HD1 . . . . . 3 DTRP H . . c30152_5l34 1 30 1 . . 1 1 3 3 DTR H H . . . 1 1 4 4 THR H H . . . . . . . 3.81 . . . . . A . 3 DTR H . . A . 4 THR H . . . 3 DTRP H . . . . . 4 THR H . . c30152_5l34 1 31 1 . . 1 1 3 3 DTR H H . . . 1 1 3 3 DTR HE3 H . . . . . . . 4.88 . . . . . A . 3 DTR H . . A . 3 DTR HE3 . . . 3 DTRP H . . . . . 3 DTRP HE3 . . c30152_5l34 1 32 1 . . 1 1 6 6 VAL H H . . . 1 1 7 7 CYS H H . . . . . . . 4.17 . . . . . A . 6 VAL H . . A . 7 CYS H . . . 6 VAL H . . . . . 7 CYSS H . . c30152_5l34 1 33 1 . . 1 1 3 3 DTR HD1 H . . . 1 1 2 2 ARG HE H . . . . . . . 4.69 . . . . . A . 3 DTR HD1 . . A . 2 ARG HE . . . 3 DTRP HD1 . . . . . 2 ARG HE . . c30152_5l34 1 34 1 . . 1 1 4 4 THR HA H . . . 1 1 4 4 THR MG H . . . . . . . 3.30 . . . . . A . 4 THR HA . . A . 4 THR MG . . . 4 THR HA . . . . . 4 THR QG2 . . c30152_5l34 1 35 1 . . 1 1 6 6 VAL HA H . . . 1 1 6 6 VAL MG2 H . . . . . . . 2.72 . . . . . A . 6 VAL HA . . A . 6 VAL MG2 . . . 6 VAL HA . . . . . 6 VAL QG2 . . c30152_5l34 1 36 1 . . 1 1 2 2 ARG HD3 H . . . 1 1 2 2 ARG HB3 H . . . . . . . 4.03 . . . . . A . 2 ARG HD3 . . A . 2 ARG HB3 . . . 2 ARG HD3 . . . . . 2 ARG HB3 . . c30152_5l34 1 37 1 . . 1 1 2 2 ARG HD3 H . . . 1 1 2 2 ARG HB2 H . . . . . . . 4.03 . . . . . A . 2 ARG HD3 . . A . 2 ARG HB2 . . . 2 ARG HD3 . . . . . 2 ARG HB2 . . c30152_5l34 1 38 1 . . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HB2 H . . . . . . . 4.12 . . . . . A . 2 ARG HD2 . . A . 2 ARG HB2 . . . 2 ARG HD2 . . . . . 2 ARG HB2 . . c30152_5l34 1 39 1 . . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HB3 H . . . . . . . 4.12 . . . . . A . 2 ARG HD2 . . A . 2 ARG HB3 . . . 2 ARG HD2 . . . . . 2 ARG HB3 . . c30152_5l34 1 40 1 . . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG H H . . . . . . . 5.50 . . . . . A . 2 ARG HD2 . . A . 2 ARG H . . . 2 ARG HD2 . . . . . 2 ARG H . . c30152_5l34 1 41 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HE H . . . . . . . 5.31 . . . . . A . 2 ARG HA . . A . 2 ARG HE . . . 2 ARG HA . . . . . 2 ARG HE . . c30152_5l34 1 42 1 . . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HE H . . . . . . . 5.50 . . . . . A . 2 ARG H . . A . 2 ARG HE . . . 2 ARG H . . . . . 2 ARG HE . . c30152_5l34 1 43 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HD2 H . . . . . . . 5.21 . . . . . A . 2 ARG HA . . A . 2 ARG HD2 . . . 2 ARG HA . . . . . 2 ARG HD2 . . c30152_5l34 1 44 1 . . 1 1 2 2 ARG HA H . . . 1 1 2 2 ARG HD3 H . . . . . . . 5.02 . . . . . A . 2 ARG HA . . A . 2 ARG HD3 . . . 2 ARG HA . . . . . 2 ARG HD3 . . c30152_5l34 1 45 1 . . 1 1 3 3 DTR H H . . . 1 1 2 2 ARG H H . . . . . . . 4.82 . . . . . A . 3 DTR H . . A . 2 ARG H . . . 3 DTRP H . . . . . 2 ARG H . . c30152_5l34 1 46 1 . . 1 1 2 2 ARG H H . . . 1 1 1 1 CYS HB3 H . . . . . . . 3.85 . . . . . A . 2 ARG H . . A . 1 CYS HB3 . . . 2 ARG H . . . . . 1 CYSS HB3 . . c30152_5l34 1 47 1 . . 1 1 3 3 DTR HE1 H . . . 1 1 2 2 ARG HE H . . . . . . . 5.13 . . . . . A . 3 DTR HE1 . . A . 2 ARG HE . . . 3 DTRP HE1 . . . . . 2 ARG HE . . c30152_5l34 1 48 1 . . 1 1 5 5 PRO HA H . . . 1 1 3 3 DTR HZ3 H . . . . . . . 5.41 . . . . . A . 5 PRO HA . . A . 3 DTR HZ3 . . . 5 PRO HA . . . . . 3 DTRP HZ3 . . c30152_5l34 1 49 1 . . 1 1 3 3 DTR H H . . . 1 1 4 4 THR MG H . . . . . . . 5.50 . . . . . A . 3 DTR H . . A . 4 THR MG . . . 3 DTRP H . . . . . 4 THR QG2 . . c30152_5l34 1 50 1 . . 1 1 3 3 DTR HD1 H . . . 1 1 2 2 ARG HB3 H . . . . . . . 5.42 . . . . . A . 3 DTR HD1 . . A . 2 ARG HB3 . . . 3 DTRP HD1 . . . . . 2 ARG HB3 . . c30152_5l34 1 51 1 . . 1 1 3 3 DTR HE3 H . . . 1 1 4 4 THR MG H . . . . . . . 5.34 . . . . . A . 3 DTR HE3 . . A . 4 THR MG . . . 3 DTRP HE3 . . . . . 4 THR QG2 . . c30152_5l34 1 52 1 . . 1 1 6 6 VAL MG1 H . . . 1 1 7 7 CYS HA H . . . . . . . 4.27 . . . . . A . 6 VAL MG1 . . A . 7 CYS HA . . . 6 VAL QG1 . . . . . 7 CYSS HA . . c30152_5l34 1 53 1 OR . 1 1 2 2 ARG H H . . . 1 1 1 1 CYS HB3 H . . . . . . . 3.35 . . . . . A . 2 ARG H . . A . 1 CYS HB3 . . . 2 ARG H . . . . . 1 CYSS QB . . c30152_5l34 1 53 2 OR . 1 1 2 2 ARG H H . . . 1 1 1 1 CYS HB2 H . . . . . . . 3.35 . . . . . A . 2 ARG H . . A . 1 CYS HB2 . . . 2 ARG H . . . . . 1 CYSS QB . . c30152_5l34 1 54 1 OR . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HB3 H . . . . . . . 3.48 . . . . . A . 2 ARG H . . A . 2 ARG HB3 . . . 2 ARG H . . . . . 2 ARG QB . . c30152_5l34 1 54 2 OR . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HB2 H . . . . . . . 3.48 . . . . . A . 2 ARG H . . A . 2 ARG HB2 . . . 2 ARG H . . . . . 2 ARG QB . . c30152_5l34 1 55 1 OR . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HG2 H . . . . . . . 4.47 . . . . . A . 2 ARG H . . A . 2 ARG HG2 . . . 2 ARG H . . . . . 2 ARG QG . . c30152_5l34 1 55 2 OR . 1 1 2 2 ARG H H . . . 1 1 2 2 ARG HG3 H . . . . . . . 4.47 . . . . . A . 2 ARG H . . A . 2 ARG HG3 . . . 2 ARG H . . . . . 2 ARG QG . . c30152_5l34 1 56 1 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HB3 H . . . . . . . 3.55 . . . . . A . 2 ARG HD2 . . A . 2 ARG HB3 . . . 2 ARG HD2 . . . . . 2 ARG QB . . c30152_5l34 1 56 2 OR . 1 1 2 2 ARG HD2 H . . . 1 1 2 2 ARG HB2 H . . . . . . . 3.55 . . . . . A . 2 ARG HD2 . . A . 2 ARG HB2 . . . 2 ARG HD2 . . . . . 2 ARG QB . . c30152_5l34 1 57 1 OR . 1 1 2 2 ARG HD3 H . . . 1 1 2 2 ARG HB3 H . . . . . . . 3.48 . . . . . A . 2 ARG HD3 . . A . 2 ARG HB3 . . . 2 ARG HD3 . . . . . 2 ARG QB . . c30152_5l34 1 57 2 OR . 1 1 2 2 ARG HD3 H . . . 1 1 2 2 ARG HB2 H . . . . . . . 3.48 . . . . . A . 2 ARG HD3 . . A . 2 ARG HB2 . . . 2 ARG HD3 . . . . . 2 ARG QB . . c30152_5l34 1 58 1 OR . 1 1 3 3 DTR H H . . . 1 1 2 2 ARG HB3 H . . . . . . . 3.92 . . . . . A . 3 DTR H . . A . 2 ARG HB3 . . . 3 DTRP H . . . . . 2 ARG QB . . c30152_5l34 1 58 2 OR . 1 1 3 3 DTR H H . . . 1 1 2 2 ARG HB2 H . . . . . . . 3.92 . . . . . A . 3 DTR H . . A . 2 ARG HB2 . . . 3 DTRP H . . . . . 2 ARG QB . . c30152_5l34 1 59 1 OR . 1 1 3 3 DTR HD1 H . . . 1 1 2 2 ARG HB3 H . . . . . . . 4.65 . . . . . A . 3 DTR HD1 . . A . 2 ARG HB3 . . . 3 DTRP HD1 . . . . . 2 ARG QB . . c30152_5l34 1 59 2 OR . 1 1 3 3 DTR HD1 H . . . 1 1 2 2 ARG HB2 H . . . . . . . 4.65 . . . . . A . 3 DTR HD1 . . A . 2 ARG HB2 . . . 3 DTRP HD1 . . . . . 2 ARG QB . . c30152_5l34 1 60 1 OR . 1 1 3 3 DTR H H . . . 1 1 2 2 ARG HG2 H . . . . . . . 4.27 . . . . . A . 3 DTR H . . A . 2 ARG HG2 . . . 3 DTRP H . . . . . 2 ARG QG . . c30152_5l34 1 60 2 OR . 1 1 3 3 DTR H H . . . 1 1 2 2 ARG HG3 H . . . . . . . 4.27 . . . . . A . 3 DTR H . . A . 2 ARG HG3 . . . 3 DTRP H . . . . . 2 ARG QG . . c30152_5l34 1 61 1 OR . 1 1 3 3 DTR HD1 H . . . 1 1 2 2 ARG HG2 H . . . . . . . 4.39 . . . . . A . 3 DTR HD1 . . A . 2 ARG HG2 . . . 3 DTRP HD1 . . . . . 2 ARG QG . . c30152_5l34 1 61 2 OR . 1 1 3 3 DTR HD1 H . . . 1 1 2 2 ARG HG3 H . . . . . . . 4.39 . . . . . A . 3 DTR HD1 . . A . 2 ARG HG3 . . . 3 DTRP HD1 . . . . . 2 ARG QG . . c30152_5l34 1 62 1 OR . 1 1 3 3 DTR HE1 H . . . 1 1 2 2 ARG HG2 H . . . . . . . 5.27 . . . . . A . 3 DTR HE1 . . A . 2 ARG HG2 . . . 3 DTRP HE1 . . . . . 2 ARG QG . . c30152_5l34 1 62 2 OR . 1 1 3 3 DTR HE1 H . . . 1 1 2 2 ARG HG3 H . . . . . . . 5.27 . . . . . A . 3 DTR HE1 . . A . 2 ARG HG3 . . . 3 DTRP HE1 . . . . . 2 ARG QG . . c30152_5l34 1 63 1 OR . 1 1 3 3 DTR HE3 H . . . 1 1 5 5 PRO HD2 H . . . . . . . 4.99 . . . . . A . 3 DTR HE3 . . A . 5 PRO HD2 . . . 3 DTRP HE3 . . . . . 5 PRO QD . . c30152_5l34 1 63 2 OR . 1 1 3 3 DTR HE3 H . . . 1 1 5 5 PRO HD3 H . . . . . . . 4.99 . . . . . A . 3 DTR HE3 . . A . 5 PRO HD3 . . . 3 DTRP HE3 . . . . . 5 PRO QD . . c30152_5l34 1 64 1 OR . 1 1 3 3 DTR HZ3 H . . . 1 1 5 5 PRO HB2 H . . . . . . . 5.18 . . . . . A . 3 DTR HZ3 . . A . 5 PRO HB2 . . . 3 DTRP HZ3 . . . . . 5 PRO QB . . c30152_5l34 1 64 2 OR . 1 1 3 3 DTR HZ3 H . . . 1 1 5 5 PRO HB3 H . . . . . . . 5.18 . . . . . A . 3 DTR HZ3 . . A . 5 PRO HB3 . . . 3 DTRP HZ3 . . . . . 5 PRO QB . . c30152_5l34 1 65 1 OR . 1 1 3 3 DTR HZ3 H . . . 1 1 5 5 PRO HD2 H . . . . . . . 4.19 . . . . . A . 3 DTR HZ3 . . A . 5 PRO HD2 . . . 3 DTRP HZ3 . . . . . 5 PRO QD . . c30152_5l34 1 65 2 OR . 1 1 3 3 DTR HZ3 H . . . 1 1 5 5 PRO HD3 H . . . . . . . 4.19 . . . . . A . 3 DTR HZ3 . . A . 5 PRO HD3 . . . 3 DTRP HZ3 . . . . . 5 PRO QD . . c30152_5l34 1 66 1 OR . 1 1 3 3 DTR HH2 H . . . 1 1 5 5 PRO HB2 H . . . . . . . 4.35 . . . . . A . 3 DTR HH2 . . A . 5 PRO HB2 . . . 3 DTRP HH2 . . . . . 5 PRO QB . . c30152_5l34 1 66 2 OR . 1 1 3 3 DTR HH2 H . . . 1 1 5 5 PRO HB3 H . . . . . . . 4.35 . . . . . A . 3 DTR HH2 . . A . 5 PRO HB3 . . . 3 DTRP HH2 . . . . . 5 PRO QB . . c30152_5l34 1 67 1 OR . 1 1 3 3 DTR HH2 H . . . 1 1 5 5 PRO HD2 H . . . . . . . 5.30 . . . . . A . 3 DTR HH2 . . A . 5 PRO HD2 . . . 3 DTRP HH2 . . . . . 5 PRO QD . . c30152_5l34 1 67 2 OR . 1 1 3 3 DTR HH2 H . . . 1 1 5 5 PRO HD3 H . . . . . . . 5.30 . . . . . A . 3 DTR HH2 . . A . 5 PRO HD3 . . . 3 DTRP HH2 . . . . . 5 PRO QD . . c30152_5l34 1 68 1 OR . 1 1 4 4 THR H H . . . 1 1 5 5 PRO HD2 H . . . . . . . 5.35 . . . . . A . 4 THR H . . A . 5 PRO HD2 . . . 4 THR H . . . . . 5 PRO QD . . c30152_5l34 1 68 2 OR . 1 1 4 4 THR H H . . . 1 1 5 5 PRO HD3 H . . . . . . . 5.35 . . . . . A . 4 THR H . . A . 5 PRO HD3 . . . 4 THR H . . . . . 5 PRO QD . . c30152_5l34 1 69 1 OR . 1 1 4 4 THR HA H . . . 1 1 5 5 PRO HD2 H . . . . . . . 3.23 . . . . . A . 4 THR HA . . A . 5 PRO HD2 . . . 4 THR HA . . . . . 5 PRO QD . . c30152_5l34 1 69 2 OR . 1 1 4 4 THR HA H . . . 1 1 5 5 PRO HD3 H . . . . . . . 3.23 . . . . . A . 4 THR HA . . A . 5 PRO HD3 . . . 4 THR HA . . . . . 5 PRO QD . . c30152_5l34 1 70 1 OR . 1 1 4 4 THR HB H . . . 1 1 5 5 PRO HD2 H . . . . . . . 3.80 . . . . . A . 4 THR HB . . A . 5 PRO HD2 . . . 4 THR HB . . . . . 5 PRO QD . . c30152_5l34 1 70 2 OR . 1 1 4 4 THR HB H . . . 1 1 5 5 PRO HD3 H . . . . . . . 3.80 . . . . . A . 4 THR HB . . A . 5 PRO HD3 . . . 4 THR HB . . . . . 5 PRO QD . . c30152_5l34 1 71 1 OR . 1 1 6 6 VAL H H . . . 1 1 5 5 PRO HB2 H . . . . . . . 3.89 . . . . . A . 6 VAL H . . A . 5 PRO HB2 . . . 6 VAL H . . . . . 5 PRO QB . . c30152_5l34 1 71 2 OR . 1 1 6 6 VAL H H . . . 1 1 5 5 PRO HB3 H . . . . . . . 3.89 . . . . . A . 6 VAL H . . A . 5 PRO HB3 . . . 6 VAL H . . . . . 5 PRO QB . . c30152_5l34 1 72 1 OR . 1 1 6 6 VAL H H . . . 1 1 5 5 PRO HD2 H . . . . . . . 4.07 . . . . . A . 6 VAL H . . A . 5 PRO HD2 . . . 6 VAL H . . . . . 5 PRO QD . . c30152_5l34 1 72 2 OR . 1 1 6 6 VAL H H . . . 1 1 5 5 PRO HD3 H . . . . . . . 4.07 . . . . . A . 6 VAL H . . A . 5 PRO HD3 . . . 6 VAL H . . . . . 5 PRO QD . . c30152_5l34 1 73 1 OR . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB2 H . . . . . . . 3.31 . . . . . A . 7 CYS H . . A . 7 CYS HB2 . . . 7 CYSS H . . . . . 7 CYSS QB . . c30152_5l34 1 73 2 OR . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB3 H . . . . . . . 3.31 . . . . . A . 7 CYS H . . A . 7 CYS HB3 . . . 7 CYSS H . . . . . 7 CYSS QB . . c30152_5l34 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'Restraints file 1: final.upl' 1 1 1 30 c30152_5l34 1 2 'peak 11 #SUP 0.93 #QF 0.93' 2 49 2 75 c30152_5l34 1 3 'peak 15 #SUP 0.47 #QF 0.47' 3 49 3 75 c30152_5l34 1 4 'peak 18 #SUP 0.79 #QF 0.79' 4 49 4 75 c30152_5l34 1 5 'peak 19 #SUP 0.95 #QF 0.95' 5 49 5 75 c30152_5l34 1 6 'peak 20 #SUP 0.35 #QF 0.35' 6 49 6 75 c30152_5l34 1 7 'peak 28 #SUP 0.61 #QF 0.61' 7 49 7 75 c30152_5l34 1 8 'peak 47 #SUP 0.95 #QF 0.95' 8 49 8 75 c30152_5l34 1 9 'peak 59 #SUP 0.89 #QF 0.89' 9 49 9 75 c30152_5l34 1 10 'peak 62 #SUP 0.87 #QF 0.87' 10 49 10 75 c30152_5l34 1 11 'peak 67 #SUP 0.93 #QF 0.93' 11 49 11 75 c30152_5l34 1 12 'peak 70 #SUP 0.97 #QF 0.97' 12 49 12 75 c30152_5l34 1 13 'peak 72 #SUP 0.86 #QF 0.86' 13 49 13 75 c30152_5l34 1 14 'peak 75 #SUP 0.92 #QF 0.92' 14 49 14 75 c30152_5l34 1 15 'peak 76 #SUP 1.00' 15 49 15 66 c30152_5l34 1 16 'peak 77 #SUP 0.99 #QF 0.99' 16 49 16 75 c30152_5l34 1 17 'peak 79 #SUP 0.99 #QF 0.99' 17 49 17 75 c30152_5l34 1 18 'peak 80 #SUP 0.99 #QF 0.99' 18 49 18 75 c30152_5l34 1 19 'peak 82 #SUP 0.99 #QF 0.99' 19 49 19 75 c30152_5l34 1 20 'peak 83 #SUP 1.00' 20 49 20 66 c30152_5l34 1 21 'peak 87 #SUP 0.88 #QF 0.88' 21 49 21 75 c30152_5l34 1 22 'peak 88 #SUP 0.68 #QF 0.68' 22 49 22 75 c30152_5l34 1 23 'peak 91 #SUP 0.92 #QF 0.92' 23 49 23 75 c30152_5l34 1 24 'peak 92 #SUP 0.96 #QF 0.96' 24 49 24 75 c30152_5l34 1 25 'peak 97 #SUP 0.88 #QF 0.88' 25 49 25 75 c30152_5l34 1 26 'peak 100 #SUP 0.96 #QF 0.96' 26 49 26 76 c30152_5l34 1 27 'peak 101 #SUP 0.99 #QF 0.99' 27 49 27 76 c30152_5l34 1 28 'peak 102 #SUP 0.99 #QF 0.99' 28 49 28 76 c30152_5l34 1 29 'peak 106 #SUP 0.94 #QF 0.94' 29 49 29 76 c30152_5l34 1 30 'peak 108 #SUP 0.84 #QF 0.84' 30 49 30 76 c30152_5l34 1 31 'peak 109 #SUP 0.77 #QF 0.77' 31 49 31 76 c30152_5l34 1 32 'peak 110 #SUP 0.83 #QF 0.83' 32 49 32 76 c30152_5l34 1 33 'peak 112 #SUP 0.82 #QF 0.82' 33 49 33 76 c30152_5l34 1 34 'peak 119 #SUP 0.78 #QF 0.78' 34 49 34 76 c30152_5l34 1 35 'peak 155 #SUP 0.80 #QF 0.80' 35 49 35 76 c30152_5l34 1 36 'peak 162 #SUP 0.33 #QF 0.33' 36 49 36 76 c30152_5l34 1 37 'peak 165 #SUP 0.85 #QF 0.85' 37 49 37 76 c30152_5l34 1 38 'peak 166 #SUP 1.00' 38 49 38 67 c30152_5l34 1 39 'peak 167 #SUP 0.98 #QF 0.98' 39 49 39 76 c30152_5l34 1 40 'peak 168 #SUP 0.98 #QF 0.98' 40 49 40 76 c30152_5l34 1 41 'peak 192 #SUP 0.86 #QF 0.86' 41 49 41 76 c30152_5l34 1 42 'peak 195 #SUP 0.98 #QF 0.98' 42 49 42 76 c30152_5l34 1 43 'peak 201 #SUP 0.98 #QF 0.98' 43 49 43 76 c30152_5l34 1 44 'peak 205 #SUP 0.83 #QF 0.83' 44 49 44 76 c30152_5l34 1 45 'peak 206 #SUP 0.93 #QF 0.93' 45 49 45 76 c30152_5l34 1 46 'peak 223 #SUP 0.80 #QF 0.80' 46 49 46 76 c30152_5l34 1 47 'peak 232 #SUP 0.82 #QF 0.82' 47 49 47 76 c30152_5l34 1 48 'peak 239 #SUP 0.75 #QF 0.75' 48 49 48 76 c30152_5l34 1 49 'peak 244 #SUP 0.96 #QF 0.96' 49 49 49 76 c30152_5l34 1 50 'peak 246 #SUP 0.93 #QF 0.93' 50 49 50 76 c30152_5l34 1 51 'peak 253 #SUP 0.98 #QF 0.98' 51 49 51 76 c30152_5l34 1 52 'peak 256 #SUP 0.64 #QF 0.64' 52 49 52 76 c30152_5l34 1 53 'peak 263 #SUP 0.75 #QF 0.75' 53 49 53 76 c30152_5l34 1 54 'peak 72' 54 49 54 56 c30152_5l34 1 55 'peak 80' 55 49 55 56 c30152_5l34 1 56 'peak 85' 56 49 56 56 c30152_5l34 1 57 'peak 167' 57 49 57 57 c30152_5l34 1 58 'peak 166' 58 49 58 57 c30152_5l34 1 59 'peak 83' 59 49 59 56 c30152_5l34 1 60 'peak 102' 60 49 60 57 c30152_5l34 1 61 'peak 84' 61 49 61 56 c30152_5l34 1 62 'peak 96' 62 49 62 56 c30152_5l34 1 63 'peak 78' 63 49 63 56 c30152_5l34 1 64 'peak 258' 64 49 64 57 c30152_5l34 1 65 'peak 242' 65 49 65 57 c30152_5l34 1 66 'peak 45' 66 49 66 56 c30152_5l34 1 67 'peak 105' 67 49 67 57 c30152_5l34 1 68 'peak 243' 68 49 68 57 c30152_5l34 1 69 'peak 243' 69 49 69 57 c30152_5l34 1 70 'peak 124' 70 49 70 57 c30152_5l34 1 71 'peak 125' 71 49 71 57 c30152_5l34 1 72 'peak 107' 72 49 72 57 c30152_5l34 1 73 'peak 44' 73 49 73 56 c30152_5l34 1 74 'peak 66' 74 49 74 56 c30152_5l34 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 c30152_5l34 _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 . . . . c30152_5l34 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 PHI . 1 1 1 1 CYS C C . . 1 1 2 2 ARG N N . . 1 1 2 2 ARG CA C . . 1 1 2 2 ARG C C . -80.0 200.0 . . . A . 1 CYS C . . A . 2 ARG N . . A . 2 ARG CA . . A . 2 ARG C . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . . . . 2 ARG . . . c30152_5l34 1 2 PHI . 1 1 5 5 PRO C C . . 1 1 6 6 VAL N N . . 1 1 6 6 VAL CA C . . 1 1 6 6 VAL C C . -80.0 200.0 . . . A . 5 PRO C . . A . 6 VAL N . . A . 6 VAL CA . . A . 6 VAL C . . . 6 VAL . . . . . . 6 VAL . . . . . . 6 VAL . . . . . . 6 VAL . . . c30152_5l34 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 'Restraints file 2: contryphan_Vc2.aco' 1 1 1 39 c30152_5l34 1 2 'From 3Jna' 2 1 2 11 c30152_5l34 1 3 CHI1 7 1 7 6 c30152_5l34 1 4 '3 DTRP CHI1 0 -120' 8 1 8 32 c30152_5l34 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 c30152_5l34 _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 TOXIN 03-AUG-16 5L34 *TITLE CALCULATED SOLUTION STRUCTURE OF [D-TRP3]-CONTRYPHAN-VC2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: [D-TRP3]-CONTRYPHAN-VC2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE; *SOURCE 4 ORGANISM_TAXID: 319920 *KEYWDS CONUS PEPTIDE, PEPTIDE TOXIN, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR S.B.DRANE,S.CHHABRA,C.A.MACRAILD *REVDAT 1 08-MAR-17 5L34 0' save_