data_Remediated_restraints_file_for_PDB_entry_1dfs # This BMRB archive file contains, for PDB entry 1dfs: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process, minor modifications could # have occurred to the NMR restraints information, or data could have been lost # because of parsing or conversion errors. The PDB file remains the # authoritative reference for the atomic coordinates and the originally deposited # restraints files remain the primary reference for these data. # # This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in # collaboration with the PDBe (formerly MSD) group at the European # Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud # University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1dfs _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1dfs' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1dfs' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1dfs 'Master copy' rr_1dfs stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1dfs _Assembly.ID 1 _Assembly.Name 1dfs _Assembly.Number_of_components 5 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 4 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 3474.3061 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 'METALLOTHIONEIN 1' 1 $METALLOTHIONEIN_1 A . no . . . . . . rr_1dfs 1 2 'CADMIUM ION' 2 $CADMIUM_ION B . no . . . . . . rr_1dfs 1 3 'CADMIUM ION' 2 $CADMIUM_ION C . no . . . . . . rr_1dfs 1 4 'CADMIUM ION' 2 $CADMIUM_ION D . no . . . . . . rr_1dfs 1 5 'CADMIUM ION' 2 $CADMIUM_ION E . no . . . . . . rr_1dfs 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_METALLOTHIONEIN_1 _Entity.Sf_category entity _Entity.Sf_framecode METALLOTHIONEIN_1 _Entity.Entry_ID rr_1dfs _Entity.ID 1 _Entity.Name METALLOTHIONEIN_1 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; KSCCSCCPVGCSKCAQGCVC KGAADKCTCCA ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 31 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 3024.6661 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 . LYS . rr_1dfs 1 2 . SER . rr_1dfs 1 3 . CYS . rr_1dfs 1 4 . CYS . rr_1dfs 1 5 . SER . rr_1dfs 1 6 . CYS . rr_1dfs 1 7 . CYS . rr_1dfs 1 8 . PRO . rr_1dfs 1 9 . VAL . rr_1dfs 1 10 . GLY . rr_1dfs 1 11 . CYS . rr_1dfs 1 12 . SER . rr_1dfs 1 13 . LYS . rr_1dfs 1 14 . CYS . rr_1dfs 1 15 . ALA . rr_1dfs 1 16 . GLN . rr_1dfs 1 17 . GLY . rr_1dfs 1 18 . CYS . rr_1dfs 1 19 . VAL . rr_1dfs 1 20 . CYS . rr_1dfs 1 21 . LYS . rr_1dfs 1 22 . GLY . rr_1dfs 1 23 . ALA . rr_1dfs 1 24 . ALA . rr_1dfs 1 25 . ASP . rr_1dfs 1 26 . LYS . rr_1dfs 1 27 . CYS . rr_1dfs 1 28 . THR . rr_1dfs 1 29 . CYS . rr_1dfs 1 30 . CYS . rr_1dfs 1 31 . ALA . rr_1dfs 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 . LYS 1 1 rr_1dfs 1 . SER 2 2 rr_1dfs 1 . CYS 3 3 rr_1dfs 1 . CYS 4 4 rr_1dfs 1 . SER 5 5 rr_1dfs 1 . CYS 6 6 rr_1dfs 1 . CYS 7 7 rr_1dfs 1 . PRO 8 8 rr_1dfs 1 . VAL 9 9 rr_1dfs 1 . GLY 10 10 rr_1dfs 1 . CYS 11 11 rr_1dfs 1 . SER 12 12 rr_1dfs 1 . LYS 13 13 rr_1dfs 1 . CYS 14 14 rr_1dfs 1 . ALA 15 15 rr_1dfs 1 . GLN 16 16 rr_1dfs 1 . GLY 17 17 rr_1dfs 1 . CYS 18 18 rr_1dfs 1 . VAL 19 19 rr_1dfs 1 . CYS 20 20 rr_1dfs 1 . LYS 21 21 rr_1dfs 1 . GLY 22 22 rr_1dfs 1 . ALA 23 23 rr_1dfs 1 . ALA 24 24 rr_1dfs 1 . ASP 25 25 rr_1dfs 1 . LYS 26 26 rr_1dfs 1 . CYS 27 27 rr_1dfs 1 . THR 28 28 rr_1dfs 1 . CYS 29 29 rr_1dfs 1 . CYS 30 30 rr_1dfs 1 . ALA 31 31 rr_1dfs 1 stop_ save_ save_CADMIUM_ION _Entity.Sf_category entity _Entity.Sf_framecode CADMIUM_ION _Entity.Entry_ID rr_1dfs _Entity.ID 2 _Entity.Name CADMIUM_ION _Entity.Type non-polymer _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CD _Entity.Number_of_monomers 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 2 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 . CD . rr_1dfs 2 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CD _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CD _Chem_comp.Entry_ID rr_1dfs _Chem_comp.ID CD _Chem_comp.Name 'CADMIUM ION' _Chem_comp.Type non-polymer _Chem_comp.PDB_code CD _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Cd _Chem_comp.Formula_weight 112.41 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 rr_1dfs _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID rr_1dfs _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 . . . rr_1dfs 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 . . . . rr_1dfs 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 LYS C C 10.527 4.513 -2.683 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . rr_1dfs 1 . 1 . 2 . 1 1 1 LYS CA C 11.033 6.019 -2.164 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . rr_1dfs 1 . 1 . 3 . 1 1 1 LYS CB C 10.259 7.248 -3.041 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . rr_1dfs 1 . 1 . 4 . 1 1 1 LYS CD C 9.360 9.906 -3.111 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . rr_1dfs 1 . 1 . 5 . 1 1 1 LYS CE C 10.095 10.486 -4.473 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . rr_1dfs 1 . 1 . 6 . 1 1 1 LYS CG C 10.184 8.719 -2.308 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . rr_1dfs 1 . 1 . 7 . 1 1 1 LYS H1 H 13.124 5.480 -1.647 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . rr_1dfs 1 . 1 . 8 . 1 1 1 LYS H2 H 12.900 7.147 -1.764 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H2 . . . . . . . . . rr_1dfs 1 . 1 . 9 . 1 1 1 LYS H3 H 13.014 6.206 -3.190 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H3 . . . . . . . . . rr_1dfs 1 . 1 . 10 . 1 1 1 LYS HA H 10.747 6.090 -1.109 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . rr_1dfs 1 . 1 . 11 . 1 1 1 LYS HB2 H 10.768 7.366 -3.987 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 12 . 1 1 1 LYS HB3 H 9.231 6.945 -3.267 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 13 . 1 1 1 LYS HD2 H 8.359 9.551 -3.363 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . rr_1dfs 1 . 1 . 14 . 1 1 1 LYS HD3 H 9.236 10.732 -2.422 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . rr_1dfs 1 . 1 . 15 . 1 1 1 LYS HE2 H 11.036 10.942 -4.196 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . rr_1dfs 1 . 1 . 16 . 1 1 1 LYS HE3 H 10.295 9.661 -5.162 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . rr_1dfs 1 . 1 . 17 . 1 1 1 LYS HG2 H 9.683 8.586 -1.351 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . rr_1dfs 1 . 1 . 18 . 1 1 1 LYS HG3 H 11.195 9.063 -2.102 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . rr_1dfs 1 . 1 . 19 . 1 1 1 LYS HZ1 H 8.316 11.161 -5.539 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . rr_1dfs 1 . 1 . 20 . 1 1 1 LYS HZ2 H 9.758 11.862 -6.082 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . rr_1dfs 1 . 1 . 21 . 1 1 1 LYS HZ3 H 9.073 12.402 -4.635 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ3 . . . . . . . . . rr_1dfs 1 . 1 . 22 . 1 1 1 LYS N N 12.638 6.231 -2.198 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . rr_1dfs 1 . 1 . 23 . 1 1 1 LYS NZ N 9.237 11.554 -5.224 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . rr_1dfs 1 . 1 . 24 . 1 1 1 LYS O O 11.332 3.798 -3.325 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . rr_1dfs 1 . 1 . 25 . 1 1 2 SER C C 7.162 2.878 -3.846 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . rr_1dfs 1 . 1 . 26 . 1 1 2 SER CA C 8.492 2.654 -2.844 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . rr_1dfs 1 . 1 . 27 . 1 1 2 SER CB C 8.251 1.759 -1.496 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . rr_1dfs 1 . 1 . 28 . 1 1 2 SER H H 8.561 4.702 -1.890 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . rr_1dfs 1 . 1 . 29 . 1 1 2 SER HA H 9.237 2.092 -3.444 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . rr_1dfs 1 . 1 . 30 . 1 1 2 SER HB2 H 9.155 1.720 -0.909 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . rr_1dfs 1 . 1 . 31 . 1 1 2 SER HB3 H 7.467 2.220 -0.895 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . rr_1dfs 1 . 1 . 32 . 1 1 2 SER HG H 7.599 -0.101 -1.041 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . rr_1dfs 1 . 1 . 33 . 1 1 2 SER N N 9.156 4.068 -2.398 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . rr_1dfs 1 . 1 . 34 . 1 1 2 SER O O 7.402 2.904 -5.075 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . rr_1dfs 1 . 1 . 35 . 1 1 2 SER OG O 7.883 0.380 -1.832 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . rr_1dfs 1 . 1 . 36 . 1 1 3 CYS C C 3.150 3.985 -3.665 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 37 . 1 1 3 CYS CA C 4.409 3.066 -4.280 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 38 . 1 1 3 CYS CB C 3.898 1.490 -4.630 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 39 . 1 1 3 CYS H H 5.604 2.875 -2.405 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 40 . 1 1 3 CYS HA H 4.682 3.510 -5.250 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 41 . 1 1 3 CYS HB2 H 3.056 1.530 -5.296 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 42 . 1 1 3 CYS HB3 H 4.700 1.021 -5.185 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 43 . 1 1 3 CYS HG H 4.166 -0.272 -3.035 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 44 . 1 1 3 CYS N N 5.766 2.960 -3.364 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 45 . 1 1 3 CYS O O 2.487 4.675 -4.469 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 46 . 1 1 3 CYS SG S 3.409 0.288 -3.236 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 47 . 1 1 4 CYS C C 1.708 5.721 -0.541 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 48 . 1 1 4 CYS CA C 1.464 4.448 -1.565 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 49 . 1 1 4 CYS CB C 0.763 3.184 -0.669 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 50 . 1 1 4 CYS H H 3.313 3.214 -1.723 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 51 . 1 1 4 CYS HA H 0.749 4.759 -2.320 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 52 . 1 1 4 CYS HB2 H 1.528 2.700 -0.079 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 53 . 1 1 4 CYS HB3 H 0.045 3.598 0.035 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 54 . 1 1 4 CYS HG H 0.103 0.988 -1.164 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 55 . 1 1 4 CYS N N 2.774 3.829 -2.281 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 56 . 1 1 4 CYS O O 2.736 5.755 0.180 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 57 . 1 1 4 CYS SG S -0.148 1.830 -1.547 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 58 . 1 1 5 SER C C -0.571 7.203 2.043 . . . 1.0 . . . . . . . . . . . . A . 5 SER C . . . . . . . . . rr_1dfs 1 . 1 . 59 . 1 1 5 SER CA C 0.422 7.780 0.787 . . . 1.0 . . . . . . . . . . . . A . 5 SER CA . . . . . . . . . rr_1dfs 1 . 1 . 60 . 1 1 5 SER CB C -0.118 9.146 0.091 . . . 1.0 . . . . . . . . . . . . A . 5 SER CB . . . . . . . . . rr_1dfs 1 . 1 . 61 . 1 1 5 SER H H -0.258 6.416 -0.876 . . . 1.0 . . . . . . . . . . . . A . 5 SER H . . . . . . . . . rr_1dfs 1 . 1 . 62 . 1 1 5 SER HA H 1.401 7.974 1.236 . . . 1.0 . . . . . . . . . . . . A . 5 SER HA . . . . . . . . . rr_1dfs 1 . 1 . 63 . 1 1 5 SER HB2 H -1.046 8.953 -0.429 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB2 . . . . . . . . . rr_1dfs 1 . 1 . 64 . 1 1 5 SER HB3 H -0.313 9.900 0.861 . . . 1.0 . . . . . . . . . . . . A . 5 SER HB3 . . . . . . . . . rr_1dfs 1 . 1 . 65 . 1 1 5 SER HG H 0.517 10.469 -1.296 . . . 1.0 . . . . . . . . . . . . A . 5 SER HG . . . . . . . . . rr_1dfs 1 . 1 . 66 . 1 1 5 SER N N 0.580 6.621 -0.352 . . . 1.0 . . . . . . . . . . . . A . 5 SER N . . . . . . . . . rr_1dfs 1 . 1 . 67 . 1 1 5 SER O O -0.608 7.849 3.116 . . . 1.0 . . . . . . . . . . . . A . 5 SER O . . . . . . . . . rr_1dfs 1 . 1 . 68 . 1 1 5 SER OG O 0.865 9.673 -0.855 . . . 1.0 . . . . . . . . . . . . A . 5 SER OG . . . . . . . . . rr_1dfs 1 . 1 . 69 . 1 1 6 CYS C C -1.223 4.106 3.939 . . . 1.0 . . . . . . . . . . . . A . 6 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 70 . 1 1 6 CYS CA C -2.170 5.085 3.001 . . . 1.0 . . . . . . . . . . . . A . 6 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 71 . 1 1 6 CYS CB C -3.435 4.234 2.285 . . . 1.0 . . . . . . . . . . . . A . 6 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 72 . 1 1 6 CYS H H -1.115 5.434 1.090 . . . 1.0 . . . . . . . . . . . . A . 6 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 73 . 1 1 6 CYS HA H -2.633 5.812 3.655 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 74 . 1 1 6 CYS HB2 H -4.002 3.704 3.046 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 75 . 1 1 6 CYS HB3 H -4.102 4.972 1.885 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 76 . 1 1 6 CYS HG H -3.235 3.447 0.056 . . . 1.0 . . . . . . . . . . . . A . 6 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 77 . 1 1 6 CYS N N -1.272 5.915 1.911 . . . 1.0 . . . . . . . . . . . . A . 6 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 78 . 1 1 6 CYS O O -1.546 3.942 5.136 . . . 1.0 . . . . . . . . . . . . A . 6 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 79 . 1 1 6 CYS SG S -3.127 2.986 0.893 . . . 1.0 . . . . . . . . . . . . A . 6 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 80 . 1 1 7 CYS C C 2.349 3.269 4.510 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 81 . 1 1 7 CYS CA C 0.969 2.452 4.064 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 82 . 1 1 7 CYS CB C 1.319 1.162 3.062 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 83 . 1 1 7 CYS H H 0.105 3.625 2.429 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 84 . 1 1 7 CYS HA H 0.531 2.069 4.986 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 85 . 1 1 7 CYS HB2 H 1.833 1.505 2.179 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 86 . 1 1 7 CYS HB3 H 1.991 0.485 3.593 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 87 . 1 1 7 CYS HG H -0.466 -0.336 3.232 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 88 . 1 1 7 CYS N N -0.079 3.456 3.357 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 89 . 1 1 7 CYS O O 2.585 4.363 3.935 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 90 . 1 1 7 CYS SG S -0.132 0.152 2.474 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 91 . 1 1 8 PRO C C 5.971 3.189 5.061 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . rr_1dfs 1 . 1 . 92 . 1 1 8 PRO CA C 4.604 3.463 6.023 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . rr_1dfs 1 . 1 . 93 . 1 1 8 PRO CB C 4.665 2.922 7.548 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . rr_1dfs 1 . 1 . 94 . 1 1 8 PRO CD C 3.133 1.368 6.336 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . rr_1dfs 1 . 1 . 95 . 1 1 8 PRO CG C 4.050 1.504 7.559 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . rr_1dfs 1 . 1 . 96 . 1 1 8 PRO HA H 4.471 4.543 6.032 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . rr_1dfs 1 . 1 . 97 . 1 1 8 PRO HB2 H 5.671 2.914 7.952 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . rr_1dfs 1 . 1 . 98 . 1 1 8 PRO HB3 H 4.054 3.584 8.182 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . rr_1dfs 1 . 1 . 99 . 1 1 8 PRO HD2 H 3.437 0.540 5.692 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . rr_1dfs 1 . 1 . 100 . 1 1 8 PRO HD3 H 2.098 1.215 6.648 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . rr_1dfs 1 . 1 . 101 . 1 1 8 PRO HG2 H 4.862 0.757 7.495 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . rr_1dfs 1 . 1 . 102 . 1 1 8 PRO HG3 H 3.500 1.329 8.471 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . rr_1dfs 1 . 1 . 103 . 1 1 8 PRO N N 3.271 2.704 5.537 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . rr_1dfs 1 . 1 . 104 . 1 1 8 PRO O O 7.087 3.100 5.624 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . rr_1dfs 1 . 1 . 105 . 1 1 9 VAL C C 7.640 1.287 2.584 . . . 1.0 . . . . . . . . . . . . A . 9 VAL C . . . . . . . . . rr_1dfs 1 . 1 . 106 . 1 1 9 VAL CA C 7.086 2.840 2.485 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CA . . . . . . . . . rr_1dfs 1 . 1 . 107 . 1 1 9 VAL CB C 8.240 4.110 2.578 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CB . . . . . . . . . rr_1dfs 1 . 1 . 108 . 1 1 9 VAL CG1 C 9.648 3.831 1.798 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG1 . . . . . . . . . rr_1dfs 1 . 1 . 109 . 1 1 9 VAL CG2 C 7.570 5.563 2.179 . . . 1.0 . . . . . . . . . . . . A . 9 VAL CG2 . . . . . . . . . rr_1dfs 1 . 1 . 110 . 1 1 9 VAL H H 5.028 3.223 3.179 . . . 1.0 . . . . . . . . . . . . A . 9 VAL H . . . . . . . . . rr_1dfs 1 . 1 . 111 . 1 1 9 VAL HA H 6.611 2.898 1.507 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HA . . . . . . . . . rr_1dfs 1 . 1 . 112 . 1 1 9 VAL HB H 8.514 4.188 3.618 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HB . . . . . . . . . rr_1dfs 1 . 1 . 113 . 1 1 9 VAL HG11 H 10.317 4.670 1.888 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG11 . . . . . . . . . rr_1dfs 1 . 1 . 114 . 1 1 9 VAL HG12 H 9.469 3.614 0.749 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG12 . . . . . . . . . rr_1dfs 1 . 1 . 115 . 1 1 9 VAL HG13 H 10.138 2.969 2.252 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG13 . . . . . . . . . rr_1dfs 1 . 1 . 116 . 1 1 9 VAL HG21 H 8.263 6.364 2.367 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG21 . . . . . . . . . rr_1dfs 1 . 1 . 117 . 1 1 9 VAL HG22 H 6.691 5.751 2.797 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG22 . . . . . . . . . rr_1dfs 1 . 1 . 118 . 1 1 9 VAL HG23 H 7.268 5.571 1.131 . . . 1.0 . . . . . . . . . . . . A . 9 VAL HG23 . . . . . . . . . rr_1dfs 1 . 1 . 119 . 1 1 9 VAL N N 5.886 3.095 3.590 . . . 1.0 . . . . . . . . . . . . A . 9 VAL N . . . . . . . . . rr_1dfs 1 . 1 . 120 . 1 1 9 VAL O O 7.465 0.516 1.607 . . . 1.0 . . . . . . . . . . . . A . 9 VAL O . . . . . . . . . rr_1dfs 1 . 1 . 121 . 1 1 10 GLY C C 7.792 -1.753 4.537 . . . 1.0 . . . . . . . . . . . . A . 10 GLY C . . . . . . . . . rr_1dfs 1 . 1 . 122 . 1 1 10 GLY CA C 8.875 -0.568 4.130 . . . 1.0 . . . . . . . . . . . . A . 10 GLY CA . . . . . . . . . rr_1dfs 1 . 1 . 123 . 1 1 10 GLY H H 8.382 1.532 4.485 . . . 1.0 . . . . . . . . . . . . A . 10 GLY H . . . . . . . . . rr_1dfs 1 . 1 . 124 . 1 1 10 GLY HA2 H 9.446 -0.923 3.274 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA2 . . . . . . . . . rr_1dfs 1 . 1 . 125 . 1 1 10 GLY HA3 H 9.573 -0.425 4.948 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA3 . . . . . . . . . rr_1dfs 1 . 1 . 126 . 1 1 10 GLY N N 8.284 0.860 3.786 . . . 1.0 . . . . . . . . . . . . A . 10 GLY N . . . . . . . . . rr_1dfs 1 . 1 . 127 . 1 1 10 GLY O O 8.180 -2.630 5.328 . . . 1.0 . . . . . . . . . . . . A . 10 GLY O . . . . . . . . . rr_1dfs 1 . 1 . 128 . 1 1 11 CYS C C 5.728 -4.537 3.971 . . . 1.0 . . . . . . . . . . . . A . 11 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 129 . 1 1 11 CYS CA C 5.239 -2.915 4.156 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 130 . 1 1 11 CYS CB C 4.009 -2.528 3.049 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 131 . 1 1 11 CYS H H 6.243 -1.063 3.355 . . . 1.0 . . . . . . . . . . . . A . 11 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 132 . 1 1 11 CYS HA H 4.878 -2.775 5.159 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 133 . 1 1 11 CYS HB2 H 4.037 -1.489 2.813 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 134 . 1 1 11 CYS HB3 H 4.204 -3.062 2.133 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 135 . 1 1 11 CYS HG H 1.796 -3.248 2.740 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 136 . 1 1 11 CYS N N 6.457 -1.794 3.949 . . . 1.0 . . . . . . . . . . . . A . 11 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 137 . 1 1 11 CYS O O 6.851 -4.789 3.475 . . . 1.0 . . . . . . . . . . . . A . 11 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 138 . 1 1 11 CYS SG S 2.223 -2.822 3.483 . . . 1.0 . . . . . . . . . . . . A . 11 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 139 . 1 1 12 SER C C 4.246 -7.794 2.839 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_1dfs 1 . 1 . 140 . 1 1 12 SER CA C 5.037 -7.189 4.165 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_1dfs 1 . 1 . 141 . 1 1 12 SER CB C 4.481 -7.875 5.534 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_1dfs 1 . 1 . 142 . 1 1 12 SER H H 3.928 -5.319 4.620 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_1dfs 1 . 1 . 143 . 1 1 12 SER HA H 6.101 -7.411 4.077 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_1dfs 1 . 1 . 144 . 1 1 12 SER HB2 H 3.462 -7.518 5.745 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_1dfs 1 . 1 . 145 . 1 1 12 SER HB3 H 4.431 -8.952 5.411 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_1dfs 1 . 1 . 146 . 1 1 12 SER HG H 5.037 -6.807 7.172 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_1dfs 1 . 1 . 147 . 1 1 12 SER N N 4.823 -5.584 4.313 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_1dfs 1 . 1 . 148 . 1 1 12 SER O O 4.778 -8.746 2.229 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_1dfs 1 . 1 . 149 . 1 1 12 SER OG O 5.352 -7.588 6.681 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_1dfs 1 . 1 . 150 . 1 1 13 LYS C C 2.554 -6.768 -0.193 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_1dfs 1 . 1 . 151 . 1 1 13 LYS CA C 2.065 -7.629 1.142 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_1dfs 1 . 1 . 152 . 1 1 13 LYS CB C 0.475 -7.313 1.505 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_1dfs 1 . 1 . 153 . 1 1 13 LYS CD C -0.710 -9.651 2.507 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_1dfs 1 . 1 . 154 . 1 1 13 LYS CE C -1.490 -10.362 3.774 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_1dfs 1 . 1 . 155 . 1 1 13 LYS CG C -0.223 -8.103 2.772 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_1dfs 1 . 1 . 156 . 1 1 13 LYS H H 2.642 -6.435 2.883 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_1dfs 1 . 1 . 157 . 1 1 13 LYS HA H 2.170 -8.672 0.958 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_1dfs 1 . 1 . 158 . 1 1 13 LYS HB2 H 0.403 -6.241 1.736 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 159 . 1 1 13 LYS HB3 H -0.104 -7.495 0.619 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 160 . 1 1 13 LYS HD2 H -1.380 -9.671 1.650 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_1dfs 1 . 1 . 161 . 1 1 13 LYS HD3 H 0.164 -10.250 2.270 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_1dfs 1 . 1 . 162 . 1 1 13 LYS HE2 H -0.826 -10.404 4.634 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_1dfs 1 . 1 . 163 . 1 1 13 LYS HE3 H -2.370 -9.777 4.041 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_1dfs 1 . 1 . 164 . 1 1 13 LYS HG2 H 0.467 -8.089 3.616 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_1dfs 1 . 1 . 165 . 1 1 13 LYS HG3 H -1.093 -7.509 3.056 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_1dfs 1 . 1 . 166 . 1 1 13 LYS HZ1 H -2.698 -11.829 2.705 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ1 . . . . . . . . . rr_1dfs 1 . 1 . 167 . 1 1 13 LYS HZ2 H -2.364 -12.242 4.310 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_1dfs 1 . 1 . 168 . 1 1 13 LYS HZ3 H -1.152 -12.431 3.145 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_1dfs 1 . 1 . 169 . 1 1 13 LYS N N 2.985 -7.215 2.401 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_1dfs 1 . 1 . 170 . 1 1 13 LYS NZ N -1.953 -11.822 3.446 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_1dfs 1 . 1 . 171 . 1 1 13 LYS O O 2.711 -7.369 -1.276 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_1dfs 1 . 1 . 172 . 1 1 14 CYS C C 5.072 -4.325 -1.261 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 173 . 1 1 14 CYS CA C 3.377 -4.303 -1.128 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 174 . 1 1 14 CYS CB C 2.813 -2.779 -0.692 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 175 . 1 1 14 CYS H H 2.716 -4.979 0.863 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 176 . 1 1 14 CYS HA H 2.990 -4.570 -2.076 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 177 . 1 1 14 CYS HB2 H 3.058 -2.606 0.295 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 178 . 1 1 14 CYS HB3 H 3.336 -2.067 -1.238 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 179 . 1 1 14 CYS HG H 0.783 -1.771 -0.105 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 180 . 1 1 14 CYS N N 2.833 -5.351 -0.034 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 181 . 1 1 14 CYS O O 5.620 -3.436 -1.971 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 182 . 1 1 14 CYS SG S 1.014 -2.366 -0.822 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 183 . 1 1 15 ALA C C 8.260 -5.557 -2.145 . . . 1.0 . . . . . . . . . . . . A . 15 ALA C . . . . . . . . . rr_1dfs 1 . 1 . 184 . 1 1 15 ALA CA C 7.551 -5.460 -0.640 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CA . . . . . . . . . rr_1dfs 1 . 1 . 185 . 1 1 15 ALA CB C 7.991 -6.699 0.311 . . . 1.0 . . . . . . . . . . . . A . 15 ALA CB . . . . . . . . . rr_1dfs 1 . 1 . 186 . 1 1 15 ALA H H 5.428 -6.033 -0.096 . . . 1.0 . . . . . . . . . . . . A . 15 ALA H . . . . . . . . . rr_1dfs 1 . 1 . 187 . 1 1 15 ALA HA H 7.891 -4.571 -0.180 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HA . . . . . . . . . rr_1dfs 1 . 1 . 188 . 1 1 15 ALA HB1 H 7.612 -6.535 1.313 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB1 . . . . . . . . . rr_1dfs 1 . 1 . 189 . 1 1 15 ALA HB2 H 9.072 -6.795 0.373 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB2 . . . . . . . . . rr_1dfs 1 . 1 . 190 . 1 1 15 ALA HB3 H 7.569 -7.633 -0.068 . . . 1.0 . . . . . . . . . . . . A . 15 ALA HB3 . . . . . . . . . rr_1dfs 1 . 1 . 191 . 1 1 15 ALA N N 5.901 -5.341 -0.609 . . . 1.0 . . . . . . . . . . . . A . 15 ALA N . . . . . . . . . rr_1dfs 1 . 1 . 192 . 1 1 15 ALA O O 9.317 -4.916 -2.355 . . . 1.0 . . . . . . . . . . . . A . 15 ALA O . . . . . . . . . rr_1dfs 1 . 1 . 193 . 1 1 16 GLN C C 6.893 -6.107 -5.733 . . . 1.0 . . . . . . . . . . . . A . 16 GLN C . . . . . . . . . rr_1dfs 1 . 1 . 194 . 1 1 16 GLN CA C 8.089 -6.589 -4.681 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CA . . . . . . . . . rr_1dfs 1 . 1 . 195 . 1 1 16 GLN CB C 8.539 -8.183 -4.801 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CB . . . . . . . . . rr_1dfs 1 . 1 . 196 . 1 1 16 GLN CD C 10.033 -10.052 -6.140 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CD . . . . . . . . . rr_1dfs 1 . 1 . 197 . 1 1 16 GLN CG C 9.180 -8.677 -6.243 . . . 1.0 . . . . . . . . . . . . A . 16 GLN CG . . . . . . . . . rr_1dfs 1 . 1 . 198 . 1 1 16 GLN H H 6.807 -6.810 -2.846 . . . 1.0 . . . . . . . . . . . . A . 16 GLN H . . . . . . . . . rr_1dfs 1 . 1 . 199 . 1 1 16 GLN HA H 8.952 -5.987 -4.883 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HA . . . . . . . . . rr_1dfs 1 . 1 . 200 . 1 1 16 GLN HB2 H 9.279 -8.352 -4.013 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HB2 . . . . . . . . . rr_1dfs 1 . 1 . 201 . 1 1 16 GLN HB3 H 7.669 -8.814 -4.568 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HB3 . . . . . . . . . rr_1dfs 1 . 1 . 202 . 1 1 16 GLN HE21 H 11.928 -9.246 -5.961 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HE21 . . . . . . . . . rr_1dfs 1 . 1 . 203 . 1 1 16 GLN HE22 H 11.824 -10.941 -5.917 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HE22 . . . . . . . . . rr_1dfs 1 . 1 . 204 . 1 1 16 GLN HG2 H 8.356 -8.826 -6.942 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HG2 . . . . . . . . . rr_1dfs 1 . 1 . 205 . 1 1 16 GLN HG3 H 9.820 -7.893 -6.661 . . . 1.0 . . . . . . . . . . . . A . 16 GLN HG3 . . . . . . . . . rr_1dfs 1 . 1 . 206 . 1 1 16 GLN N N 7.635 -6.349 -3.133 . . . 1.0 . . . . . . . . . . . . A . 16 GLN N . . . . . . . . . rr_1dfs 1 . 1 . 207 . 1 1 16 GLN NE2 N 11.379 -10.077 -6.000 . . . 1.0 . . . . . . . . . . . . A . 16 GLN NE2 . . . . . . . . . rr_1dfs 1 . 1 . 208 . 1 1 16 GLN O O 7.244 -5.483 -6.768 . . . 1.0 . . . . . . . . . . . . A . 16 GLN O . . . . . . . . . rr_1dfs 1 . 1 . 209 . 1 1 16 GLN OE1 O 9.461 -11.139 -6.187 . . . 1.0 . . . . . . . . . . . . A . 16 GLN OE1 . . . . . . . . . rr_1dfs 1 . 1 . 210 . 1 1 17 GLY C C 3.027 -5.456 -5.501 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . rr_1dfs 1 . 1 . 211 . 1 1 17 GLY CA C 4.247 -6.071 -6.357 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . rr_1dfs 1 . 1 . 212 . 1 1 17 GLY H H 5.337 -6.940 -4.621 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . rr_1dfs 1 . 1 . 213 . 1 1 17 GLY HA2 H 4.506 -5.379 -7.166 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . rr_1dfs 1 . 1 . 214 . 1 1 17 GLY HA3 H 3.900 -6.983 -6.816 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . rr_1dfs 1 . 1 . 215 . 1 1 17 GLY N N 5.524 -6.429 -5.458 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . rr_1dfs 1 . 1 . 216 . 1 1 17 GLY O O 2.582 -6.144 -4.544 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . rr_1dfs 1 . 1 . 217 . 1 1 18 CYS C C -0.244 -4.337 -5.206 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 218 . 1 1 18 CYS CA C 1.186 -3.444 -5.074 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 219 . 1 1 18 CYS CB C 1.034 -1.858 -5.594 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 220 . 1 1 18 CYS H H 2.846 -3.672 -6.634 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 221 . 1 1 18 CYS HA H 1.479 -3.432 -4.002 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 222 . 1 1 18 CYS HB2 H 2.023 -1.431 -5.675 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 223 . 1 1 18 CYS HB3 H 0.606 -1.831 -6.593 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 224 . 1 1 18 CYS HG H -0.820 -1.043 -4.393 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 225 . 1 1 18 CYS N N 2.443 -4.163 -5.854 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 226 . 1 1 18 CYS O O -0.563 -4.846 -6.303 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 227 . 1 1 18 CYS SG S 0.059 -0.680 -4.502 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 228 . 1 1 19 VAL C C -3.711 -4.037 -3.665 . . . 1.0 . . . . . . . . . . . . A . 19 VAL C . . . . . . . . . rr_1dfs 1 . 1 . 229 . 1 1 19 VAL CA C -2.468 -5.163 -3.795 . . . 1.0 . . . . . . . . . . . . A . 19 VAL CA . . . . . . . . . rr_1dfs 1 . 1 . 230 . 1 1 19 VAL CB C -2.292 -6.188 -2.412 . . . 1.0 . . . . . . . . . . . . A . 19 VAL CB . . . . . . . . . rr_1dfs 1 . 1 . 231 . 1 1 19 VAL CG1 C -1.683 -5.445 -1.044 . . . 1.0 . . . . . . . . . . . . A . 19 VAL CG1 . . . . . . . . . rr_1dfs 1 . 1 . 232 . 1 1 19 VAL CG2 C -3.628 -7.079 -2.081 . . . 1.0 . . . . . . . . . . . . A . 19 VAL CG2 . . . . . . . . . rr_1dfs 1 . 1 . 233 . 1 1 19 VAL H H -0.705 -3.949 -3.263 . . . 1.0 . . . . . . . . . . . . A . 19 VAL H . . . . . . . . . rr_1dfs 1 . 1 . 234 . 1 1 19 VAL HA H -2.685 -5.782 -4.654 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HA . . . . . . . . . rr_1dfs 1 . 1 . 235 . 1 1 19 VAL HB H -1.527 -6.916 -2.700 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HB . . . . . . . . . rr_1dfs 1 . 1 . 236 . 1 1 19 VAL HG11 H -1.826 -6.025 -0.141 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG11 . . . . . . . . . rr_1dfs 1 . 1 . 237 . 1 1 19 VAL HG12 H -2.138 -4.478 -0.904 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG12 . . . . . . . . . rr_1dfs 1 . 1 . 238 . 1 1 19 VAL HG13 H -0.615 -5.278 -1.182 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG13 . . . . . . . . . rr_1dfs 1 . 1 . 239 . 1 1 19 VAL HG21 H -3.429 -7.796 -1.289 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG21 . . . . . . . . . rr_1dfs 1 . 1 . 240 . 1 1 19 VAL HG22 H -3.934 -7.630 -2.959 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG22 . . . . . . . . . rr_1dfs 1 . 1 . 241 . 1 1 19 VAL HG23 H -4.444 -6.420 -1.779 . . . 1.0 . . . . . . . . . . . . A . 19 VAL HG23 . . . . . . . . . rr_1dfs 1 . 1 . 242 . 1 1 19 VAL N N -1.037 -4.432 -4.047 . . . 1.0 . . . . . . . . . . . . A . 19 VAL N . . . . . . . . . rr_1dfs 1 . 1 . 243 . 1 1 19 VAL O O -4.877 -4.440 -3.865 . . . 1.0 . . . . . . . . . . . . A . 19 VAL O . . . . . . . . . rr_1dfs 1 . 1 . 244 . 1 1 20 CYS C C -5.244 -0.918 -4.341 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 245 . 1 1 20 CYS CA C -4.436 -1.449 -2.981 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 246 . 1 1 20 CYS CB C -3.596 -0.210 -2.209 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 247 . 1 1 20 CYS H H -2.492 -2.478 -3.081 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 248 . 1 1 20 CYS HA H -5.185 -1.801 -2.299 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 249 . 1 1 20 CYS HB2 H -2.767 0.083 -2.844 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 250 . 1 1 20 CYS HB3 H -4.244 0.647 -2.094 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 251 . 1 1 20 CYS HG H -1.979 -0.947 -0.636 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 252 . 1 1 20 CYS N N -3.421 -2.681 -3.260 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 253 . 1 1 20 CYS O O -4.584 -0.610 -5.364 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 254 . 1 1 20 CYS SG S -2.847 -0.572 -0.512 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 255 . 1 1 21 LYS C C -8.063 1.363 -5.162 . . . 1.0 . . . . . . . . . . . . A . 21 LYS C . . . . . . . . . rr_1dfs 1 . 1 . 256 . 1 1 21 LYS CA C -7.694 -0.230 -5.439 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CA . . . . . . . . . rr_1dfs 1 . 1 . 257 . 1 1 21 LYS CB C -8.994 -1.263 -5.554 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CB . . . . . . . . . rr_1dfs 1 . 1 . 258 . 1 1 21 LYS CD C -9.720 -3.948 -6.116 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CD . . . . . . . . . rr_1dfs 1 . 1 . 259 . 1 1 21 LYS CE C -10.021 -4.870 -7.470 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CE . . . . . . . . . rr_1dfs 1 . 1 . 260 . 1 1 21 LYS CG C -8.631 -2.709 -6.290 . . . 1.0 . . . . . . . . . . . . A . 21 LYS CG . . . . . . . . . rr_1dfs 1 . 1 . 261 . 1 1 21 LYS H H -7.127 -1.014 -3.418 . . . 1.0 . . . . . . . . . . . . A . 21 LYS H . . . . . . . . . rr_1dfs 1 . 1 . 262 . 1 1 21 LYS HA H -7.153 -0.243 -6.368 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HA . . . . . . . . . rr_1dfs 1 . 1 . 263 . 1 1 21 LYS HB2 H -9.382 -1.439 -4.552 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 264 . 1 1 21 LYS HB3 H -9.788 -0.786 -6.134 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 265 . 1 1 21 LYS HD2 H -9.305 -4.625 -5.363 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HD2 . . . . . . . . . rr_1dfs 1 . 1 . 266 . 1 1 21 LYS HD3 H -10.668 -3.585 -5.709 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HD3 . . . . . . . . . rr_1dfs 1 . 1 . 267 . 1 1 21 LYS HE2 H -9.229 -4.766 -8.211 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HE2 . . . . . . . . . rr_1dfs 1 . 1 . 268 . 1 1 21 LYS HE3 H -10.049 -5.913 -7.175 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HE3 . . . . . . . . . rr_1dfs 1 . 1 . 269 . 1 1 21 LYS HG2 H -8.465 -2.489 -7.341 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HG2 . . . . . . . . . rr_1dfs 1 . 1 . 270 . 1 1 21 LYS HG3 H -7.671 -3.062 -5.892 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HG3 . . . . . . . . . rr_1dfs 1 . 1 . 271 . 1 1 21 LYS HZ1 H -11.514 -5.148 -8.985 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ1 . . . . . . . . . rr_1dfs 1 . 1 . 272 . 1 1 21 LYS HZ2 H -11.402 -3.532 -8.504 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ2 . . . . . . . . . rr_1dfs 1 . 1 . 273 . 1 1 21 LYS HZ3 H -12.187 -4.685 -7.503 . . . 1.0 . . . . . . . . . . . . A . 21 LYS HZ3 . . . . . . . . . rr_1dfs 1 . 1 . 274 . 1 1 21 LYS N N -6.683 -0.785 -4.279 . . . 1.0 . . . . . . . . . . . . A . 21 LYS N . . . . . . . . . rr_1dfs 1 . 1 . 275 . 1 1 21 LYS NZ N -11.383 -4.522 -8.158 . . . 1.0 . . . . . . . . . . . . A . 21 LYS NZ . . . . . . . . . rr_1dfs 1 . 1 . 276 . 1 1 21 LYS O O -8.134 2.129 -6.152 . . . 1.0 . . . . . . . . . . . . A . 21 LYS O . . . . . . . . . rr_1dfs 1 . 1 . 277 . 1 1 22 GLY C C -6.866 4.221 -3.656 . . . 1.0 . . . . . . . . . . . . A . 22 GLY C . . . . . . . . . rr_1dfs 1 . 1 . 278 . 1 1 22 GLY CA C -8.286 3.417 -3.321 . . . 1.0 . . . . . . . . . . . . A . 22 GLY CA . . . . . . . . . rr_1dfs 1 . 1 . 279 . 1 1 22 GLY H H -7.997 1.236 -3.082 . . . 1.0 . . . . . . . . . . . . A . 22 GLY H . . . . . . . . . rr_1dfs 1 . 1 . 280 . 1 1 22 GLY HA2 H -9.139 3.889 -3.813 . . . 1.0 . . . . . . . . . . . . A . 22 GLY HA2 . . . . . . . . . rr_1dfs 1 . 1 . 281 . 1 1 22 GLY HA3 H -8.454 3.441 -2.244 . . . 1.0 . . . . . . . . . . . . A . 22 GLY HA3 . . . . . . . . . rr_1dfs 1 . 1 . 282 . 1 1 22 GLY N N -8.139 1.879 -3.800 . . . 1.0 . . . . . . . . . . . . A . 22 GLY N . . . . . . . . . rr_1dfs 1 . 1 . 283 . 1 1 22 GLY O O -6.908 5.227 -4.380 . . . 1.0 . . . . . . . . . . . . A . 22 GLY O . . . . . . . . . rr_1dfs 1 . 1 . 284 . 1 1 23 ALA C C -3.438 5.395 -2.841 . . . 1.0 . . . . . . . . . . . . A . 23 ALA C . . . . . . . . . rr_1dfs 1 . 1 . 285 . 1 1 23 ALA CA C -4.053 4.056 -3.552 . . . 1.0 . . . . . . . . . . . . A . 23 ALA CA . . . . . . . . . rr_1dfs 1 . 1 . 286 . 1 1 23 ALA CB C -3.797 4.056 -5.173 . . . 1.0 . . . . . . . . . . . . A . 23 ALA CB . . . . . . . . . rr_1dfs 1 . 1 . 287 . 1 1 23 ALA H H -5.649 2.751 -2.714 . . . 1.0 . . . . . . . . . . . . A . 23 ALA H . . . . . . . . . rr_1dfs 1 . 1 . 288 . 1 1 23 ALA HA H -3.450 3.214 -3.187 . . . 1.0 . . . . . . . . . . . . A . 23 ALA HA . . . . . . . . . rr_1dfs 1 . 1 . 289 . 1 1 23 ALA HB1 H -2.747 4.271 -5.422 . . . 1.0 . . . . . . . . . . . . A . 23 ALA HB1 . . . . . . . . . rr_1dfs 1 . 1 . 290 . 1 1 23 ALA HB2 H -4.427 4.791 -5.655 . . . 1.0 . . . . . . . . . . . . A . 23 ALA HB2 . . . . . . . . . rr_1dfs 1 . 1 . 291 . 1 1 23 ALA HB3 H -4.053 3.079 -5.583 . . . 1.0 . . . . . . . . . . . . A . 23 ALA HB3 . . . . . . . . . rr_1dfs 1 . 1 . 292 . 1 1 23 ALA N N -5.587 3.618 -3.226 . . . 1.0 . . . . . . . . . . . . A . 23 ALA N . . . . . . . . . rr_1dfs 1 . 1 . 293 . 1 1 23 ALA O O -2.268 5.278 -2.391 . . . 1.0 . . . . . . . . . . . . A . 23 ALA O . . . . . . . . . rr_1dfs 1 . 1 . 294 . 1 1 24 ALA C C -4.126 8.682 -0.814 . . . 1.0 . . . . . . . . . . . . A . 24 ALA C . . . . . . . . . rr_1dfs 1 . 1 . 295 . 1 1 24 ALA CA C -3.496 8.060 -2.221 . . . 1.0 . . . . . . . . . . . . A . 24 ALA CA . . . . . . . . . rr_1dfs 1 . 1 . 296 . 1 1 24 ALA CB C -3.481 9.098 -3.483 . . . 1.0 . . . . . . . . . . . . A . 24 ALA CB . . . . . . . . . rr_1dfs 1 . 1 . 297 . 1 1 24 ALA H H -5.034 6.716 -3.209 . . . 1.0 . . . . . . . . . . . . A . 24 ALA H . . . . . . . . . rr_1dfs 1 . 1 . 298 . 1 1 24 ALA HA H -2.461 7.890 -1.997 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HA . . . . . . . . . rr_1dfs 1 . 1 . 299 . 1 1 24 ALA HB1 H -2.949 10.009 -3.216 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HB1 . . . . . . . . . rr_1dfs 1 . 1 . 300 . 1 1 24 ALA HB2 H -4.486 9.357 -3.784 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HB2 . . . . . . . . . rr_1dfs 1 . 1 . 301 . 1 1 24 ALA HB3 H -2.963 8.648 -4.329 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HB3 . . . . . . . . . rr_1dfs 1 . 1 . 302 . 1 1 24 ALA N N -4.132 6.659 -2.806 . . . 1.0 . . . . . . . . . . . . A . 24 ALA N . . . . . . . . . rr_1dfs 1 . 1 . 303 . 1 1 24 ALA O O -3.668 9.806 -0.425 . . . 1.0 . . . . . . . . . . . . A . 24 ALA O . . . . . . . . . rr_1dfs 1 . 1 . 304 . 1 1 25 ASP C C -5.870 7.357 2.543 . . . 1.0 . . . . . . . . . . . . A . 25 ASP C . . . . . . . . . rr_1dfs 1 . 1 . 305 . 1 1 25 ASP CA C -5.783 8.559 1.392 . . . 1.0 . . . . . . . . . . . . A . 25 ASP CA . . . . . . . . . rr_1dfs 1 . 1 . 306 . 1 1 25 ASP CB C -7.254 9.240 0.968 . . . 1.0 . . . . . . . . . . . . A . 25 ASP CB . . . . . . . . . rr_1dfs 1 . 1 . 307 . 1 1 25 ASP CG C -7.894 10.246 2.055 . . . 1.0 . . . . . . . . . . . . A . 25 ASP CG . . . . . . . . . rr_1dfs 1 . 1 . 308 . 1 1 25 ASP H H -5.463 7.120 -0.320 . . . 1.0 . . . . . . . . . . . . A . 25 ASP H . . . . . . . . . rr_1dfs 1 . 1 . 309 . 1 1 25 ASP HA H -5.141 9.333 1.803 . . . 1.0 . . . . . . . . . . . . A . 25 ASP HA . . . . . . . . . rr_1dfs 1 . 1 . 310 . 1 1 25 ASP HB2 H -7.128 9.782 0.038 . . . 1.0 . . . . . . . . . . . . A . 25 ASP HB2 . . . . . . . . . rr_1dfs 1 . 1 . 311 . 1 1 25 ASP HB3 H -7.962 8.432 0.754 . . . 1.0 . . . . . . . . . . . . A . 25 ASP HB3 . . . . . . . . . rr_1dfs 1 . 1 . 312 . 1 1 25 ASP N N -5.133 7.998 -0.008 . . . 1.0 . . . . . . . . . . . . A . 25 ASP N . . . . . . . . . rr_1dfs 1 . 1 . 313 . 1 1 25 ASP O O -5.231 7.496 3.611 . . . 1.0 . . . . . . . . . . . . A . 25 ASP O . . . . . . . . . rr_1dfs 1 . 1 . 314 . 1 1 25 ASP OD1 O -8.599 9.778 2.943 . . . 1.0 . . . . . . . . . . . . A . 25 ASP OD1 . . . . . . . . . rr_1dfs 1 . 1 . 315 . 1 1 25 ASP OD2 O -7.637 11.448 1.981 . . . 1.0 . . . . . . . . . . . . A . 25 ASP OD2 . . . . . . . . . rr_1dfs 1 . 1 . 316 . 1 1 26 LYS C C -7.388 3.517 2.569 . . . 1.0 . . . . . . . . . . . . A . 26 LYS C . . . . . . . . . rr_1dfs 1 . 1 . 317 . 1 1 26 LYS CA C -7.042 4.964 3.329 . . . 1.0 . . . . . . . . . . . . A . 26 LYS CA . . . . . . . . . rr_1dfs 1 . 1 . 318 . 1 1 26 LYS CB C -8.291 5.453 4.349 . . . 1.0 . . . . . . . . . . . . A . 26 LYS CB . . . . . . . . . rr_1dfs 1 . 1 . 319 . 1 1 26 LYS CD C -10.879 6.473 4.669 . . . 1.0 . . . . . . . . . . . . A . 26 LYS CD . . . . . . . . . rr_1dfs 1 . 1 . 320 . 1 1 26 LYS CE C -12.417 6.505 4.094 . . . 1.0 . . . . . . . . . . . . A . 26 LYS CE . . . . . . . . . rr_1dfs 1 . 1 . 321 . 1 1 26 LYS CG C -9.756 5.831 3.655 . . . 1.0 . . . . . . . . . . . . A . 26 LYS CG . . . . . . . . . rr_1dfs 1 . 1 . 322 . 1 1 26 LYS H H -7.240 6.228 1.466 . . . 1.0 . . . . . . . . . . . . A . 26 LYS H . . . . . . . . . rr_1dfs 1 . 1 . 323 . 1 1 26 LYS HA H -6.160 4.803 3.960 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HA . . . . . . . . . rr_1dfs 1 . 1 . 324 . 1 1 26 LYS HB2 H -8.460 4.675 5.096 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 325 . 1 1 26 LYS HB3 H -7.926 6.327 4.893 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 326 . 1 1 26 LYS HD2 H -10.900 5.918 5.606 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HD2 . . . . . . . . . rr_1dfs 1 . 1 . 327 . 1 1 26 LYS HD3 H -10.575 7.494 4.893 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HD3 . . . . . . . . . rr_1dfs 1 . 1 . 328 . 1 1 26 LYS HE2 H -12.450 6.983 3.118 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HE2 . . . . . . . . . rr_1dfs 1 . 1 . 329 . 1 1 26 LYS HE3 H -12.775 5.482 3.996 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HE3 . . . . . . . . . rr_1dfs 1 . 1 . 330 . 1 1 26 LYS HG2 H -9.577 6.555 2.855 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HG2 . . . . . . . . . rr_1dfs 1 . 1 . 331 . 1 1 26 LYS HG3 H -10.134 4.917 3.196 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HG3 . . . . . . . . . rr_1dfs 1 . 1 . 332 . 1 1 26 LYS HZ1 H -13.123 8.288 5.145 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HZ1 . . . . . . . . . rr_1dfs 1 . 1 . 333 . 1 1 26 LYS HZ2 H -13.445 6.835 5.997 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HZ2 . . . . . . . . . rr_1dfs 1 . 1 . 334 . 1 1 26 LYS HZ3 H -14.358 7.246 4.634 . . . 1.0 . . . . . . . . . . . . A . 26 LYS HZ3 . . . . . . . . . rr_1dfs 1 . 1 . 335 . 1 1 26 LYS N N -6.734 6.218 2.312 . . . 1.0 . . . . . . . . . . . . A . 26 LYS N . . . . . . . . . rr_1dfs 1 . 1 . 336 . 1 1 26 LYS NZ N -13.396 7.277 5.047 . . . 1.0 . . . . . . . . . . . . A . 26 LYS NZ . . . . . . . . . rr_1dfs 1 . 1 . 337 . 1 1 26 LYS O O -8.132 3.574 1.554 . . . 1.0 . . . . . . . . . . . . A . 26 LYS O . . . . . . . . . rr_1dfs 1 . 1 . 338 . 1 1 27 CYS C C -8.017 -0.263 3.587 . . . 1.0 . . . . . . . . . . . . A . 27 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 339 . 1 1 27 CYS CA C -7.243 0.771 2.528 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 340 . 1 1 27 CYS CB C -5.908 0.090 1.838 . . . 1.0 . . . . . . . . . . . . A . 27 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 341 . 1 1 27 CYS H H -6.352 2.266 3.918 . . . 1.0 . . . . . . . . . . . . A . 27 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 342 . 1 1 27 CYS HA H -7.932 0.911 1.703 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 343 . 1 1 27 CYS HB2 H -6.230 -0.807 1.322 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 344 . 1 1 27 CYS HB3 H -5.559 0.756 1.082 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 345 . 1 1 27 CYS HG H -4.112 0.287 3.362 . . . 1.0 . . . . . . . . . . . . A . 27 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 346 . 1 1 27 CYS N N -6.909 2.250 3.109 . . . 1.0 . . . . . . . . . . . . A . 27 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 347 . 1 1 27 CYS O O -7.803 -0.152 4.818 . . . 1.0 . . . . . . . . . . . . A . 27 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 348 . 1 1 27 CYS SG S -4.440 -0.464 2.860 . . . 1.0 . . . . . . . . . . . . A . 27 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 349 . 1 1 28 THR C C -8.721 -4.029 3.363 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . rr_1dfs 1 . 1 . 350 . 1 1 28 THR CA C -9.470 -2.581 3.814 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . rr_1dfs 1 . 1 . 351 . 1 1 28 THR CB C -11.145 -2.479 3.550 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . rr_1dfs 1 . 1 . 352 . 1 1 28 THR CG2 C -11.890 -1.252 4.305 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . rr_1dfs 1 . 1 . 353 . 1 1 28 THR H H -8.798 -1.407 2.017 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . rr_1dfs 1 . 1 . 354 . 1 1 28 THR HA H -9.269 -2.509 4.899 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . rr_1dfs 1 . 1 . 355 . 1 1 28 THR HB H -11.575 -3.382 3.986 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . rr_1dfs 1 . 1 . 356 . 1 1 28 THR HG1 H -11.215 -1.772 1.573 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . rr_1dfs 1 . 1 . 357 . 1 1 28 THR HG21 H -11.512 -0.302 3.943 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . rr_1dfs 1 . 1 . 358 . 1 1 28 THR HG22 H -11.728 -1.317 5.374 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . rr_1dfs 1 . 1 . 359 . 1 1 28 THR HG23 H -12.955 -1.303 4.118 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . rr_1dfs 1 . 1 . 360 . 1 1 28 THR N N -8.774 -1.346 3.020 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . rr_1dfs 1 . 1 . 361 . 1 1 28 THR O O -9.383 -5.102 3.396 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . rr_1dfs 1 . 1 . 362 . 1 1 28 THR OG1 O -11.529 -2.541 2.109 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . rr_1dfs 1 . 1 . 363 . 1 1 29 CYS C C -5.004 -5.572 3.394 . . . 1.0 . . . . . . . . . . . . A . 29 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 364 . 1 1 29 CYS CA C -6.385 -5.309 2.505 . . . 1.0 . . . . . . . . . . . . A . 29 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 365 . 1 1 29 CYS CB C -6.092 -5.186 0.871 . . . 1.0 . . . . . . . . . . . . A . 29 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 366 . 1 1 29 CYS H H -6.807 -3.156 2.968 . . . 1.0 . . . . . . . . . . . . A . 29 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 367 . 1 1 29 CYS HA H -6.977 -6.206 2.635 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 368 . 1 1 29 CYS HB2 H -5.562 -6.070 0.539 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 369 . 1 1 29 CYS HB3 H -7.048 -5.200 0.365 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 370 . 1 1 29 CYS HG H -4.194 -3.883 0.353 . . . 1.0 . . . . . . . . . . . . A . 29 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 371 . 1 1 29 CYS N N -7.302 -4.034 2.968 . . . 1.0 . . . . . . . . . . . . A . 29 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 372 . 1 1 29 CYS O O -4.550 -6.752 3.410 . . . 1.0 . . . . . . . . . . . . A . 29 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 373 . 1 1 29 CYS SG S -5.126 -3.727 0.189 . . . 1.0 . . . . . . . . . . . . A . 29 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 374 . 1 1 30 CYS C C -3.257 -4.439 6.545 . . . 1.0 . . . . . . . . . . . . A . 30 CYS C . . . . . . . . . rr_1dfs 1 . 1 . 375 . 1 1 30 CYS CA C -2.967 -4.573 4.899 . . . 1.0 . . . . . . . . . . . . A . 30 CYS CA . . . . . . . . . rr_1dfs 1 . 1 . 376 . 1 1 30 CYS CB C -1.920 -3.426 4.246 . . . 1.0 . . . . . . . . . . . . A . 30 CYS CB . . . . . . . . . rr_1dfs 1 . 1 . 377 . 1 1 30 CYS H H -4.729 -3.604 4.017 . . . 1.0 . . . . . . . . . . . . A . 30 CYS H . . . . . . . . . rr_1dfs 1 . 1 . 378 . 1 1 30 CYS HA H -2.530 -5.547 4.776 . . . 1.0 . . . . . . . . . . . . A . 30 CYS HA . . . . . . . . . rr_1dfs 1 . 1 . 379 . 1 1 30 CYS HB2 H -2.327 -2.449 4.445 . . . 1.0 . . . . . . . . . . . . A . 30 CYS HB2 . . . . . . . . . rr_1dfs 1 . 1 . 380 . 1 1 30 CYS HB3 H -0.981 -3.498 4.766 . . . 1.0 . . . . . . . . . . . . A . 30 CYS HB3 . . . . . . . . . rr_1dfs 1 . 1 . 381 . 1 1 30 CYS HG H -0.748 -3.070 2.216 . . . 1.0 . . . . . . . . . . . . A . 30 CYS HG . . . . . . . . . rr_1dfs 1 . 1 . 382 . 1 1 30 CYS N N -4.340 -4.489 4.062 . . . 1.0 . . . . . . . . . . . . A . 30 CYS N . . . . . . . . . rr_1dfs 1 . 1 . 383 . 1 1 30 CYS O O -2.346 -4.001 7.292 . . . 1.0 . . . . . . . . . . . . A . 30 CYS O . . . . . . . . . rr_1dfs 1 . 1 . 384 . 1 1 30 CYS SG S -1.564 -3.500 2.391 . . . 1.0 . . . . . . . . . . . . A . 30 CYS SG . . . . . . . . . rr_1dfs 1 . 1 . 385 . 1 1 31 ALA C C -4.774 -6.330 9.387 . . . 1.0 . . . . . . . . . . . . A . 31 ALA C . . . . . . . . . rr_1dfs 1 . 1 . 386 . 1 1 31 ALA CA C -4.965 -4.881 8.665 . . . 1.0 . . . . . . . . . . . . A . 31 ALA CA . . . . . . . . . rr_1dfs 1 . 1 . 387 . 1 1 31 ALA CB C -6.491 -4.331 8.761 . . . 1.0 . . . . . . . . . . . . A . 31 ALA CB . . . . . . . . . rr_1dfs 1 . 1 . 388 . 1 1 31 ALA H H -5.175 -5.292 6.476 . . . 1.0 . . . . . . . . . . . . A . 31 ALA H . . . . . . . . . rr_1dfs 1 . 1 . 389 . 1 1 31 ALA HA H -4.344 -4.158 9.178 . . . 1.0 . . . . . . . . . . . . A . 31 ALA HA . . . . . . . . . rr_1dfs 1 . 1 . 390 . 1 1 31 ALA HB1 H -6.546 -3.336 8.337 . . . 1.0 . . . . . . . . . . . . A . 31 ALA HB1 . . . . . . . . . rr_1dfs 1 . 1 . 391 . 1 1 31 ALA HB2 H -6.811 -4.259 9.800 . . . 1.0 . . . . . . . . . . . . A . 31 ALA HB2 . . . . . . . . . rr_1dfs 1 . 1 . 392 . 1 1 31 ALA HB3 H -7.182 -4.979 8.217 . . . 1.0 . . . . . . . . . . . . A . 31 ALA HB3 . . . . . . . . . rr_1dfs 1 . 1 . 393 . 1 1 31 ALA N N -4.523 -4.894 7.104 . . . 1.0 . . . . . . . . . . . . A . 31 ALA N . . . . . . . . . rr_1dfs 1 . 1 . 394 . 1 1 31 ALA O O -4.913 -7.369 8.731 . . . 1.0 . . . . . . . . . . . . A . 31 ALA O . . . . . . . . . rr_1dfs 1 . 1 . 395 . 1 1 31 ALA OXT O -4.532 -6.361 10.598 . . . 1.0 . . . . . . . . . . . . A . 31 ALA OXT . . . . . . . . . rr_1dfs 1 . 1 . 396 . 2 2 1 CD CD Cd -3.456 -2.197 1.315 . . . 1.0 . . . . . . . . . . . . A . 32 CD CD . . . . . . . . . rr_1dfs 1 . 1 . 397 . 3 2 1 CD CD Cd 1.114 -0.245 -2.259 . . . 1.0 . . . . . . . . . . . . A . 33 CD CD . . . . . . . . . rr_1dfs 1 . 1 . 398 . 4 2 1 CD CD Cd 0.490 -2.166 1.696 . . . 1.0 . . . . . . . . . . . . A . 34 CD CD . . . . . . . . . rr_1dfs 1 . 1 . 399 . 5 2 1 CD CD Cd -1.406 1.167 0.534 . . . 1.0 . . . . . . . . . . . . A . 35 CD CD . . . . . . . . . rr_1dfs 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 rr_1dfs _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 1dfs.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1dfs 1 1 1dfs.mr . . n/a 2 comment 'Not applicable' 'Not applicable' 0 rr_1dfs 1 1 1dfs.mr . . XPLOR/CNS 3 distance NOE simple 278 rr_1dfs 1 1 1dfs.mr . . n/a 4 comment 'Not applicable' 'Not applicable' 0 rr_1dfs 1 1 1dfs.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1dfs 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1dfs _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 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1dfs 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 12 12 SER H H . . . 1 1 13 13 LYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 12 SER H . . A . 13 LYS H . . . 12 . HN . . . . . 13 . HN . . rr_1dfs 1 2 1 . . 1 1 12 12 SER H H . . . 1 1 11 11 CYS H H . . . . . 1.8 1.8 5.0 . . . . . A . 12 SER H . . A . 11 CYS H . . . 12 . HN . . . . . 11 . HN . . rr_1dfs 1 3 1 . . 1 1 12 12 SER H H . . . 1 1 14 14 CYS H H . . . . . 1.8 1.8 5.0 . . . . . A . 12 SER H . . A . 14 CYS H . . . 12 . HN . . . . . 14 . HN . . rr_1dfs 1 4 1 . . 1 1 20 20 CYS H H . . . 1 1 21 21 LYS H H . . . . . 1.8 1.8 5.0 . . . . . A . 20 CYS H . . A . 21 LYS H . . . 20 . HN . . . . . 21 . HN . . rr_1dfs 1 5 1 . . 1 1 20 20 CYS H H . . . 1 1 19 19 VAL H H . . . . . 1.8 1.8 2.7 . . . . . A . 20 CYS H . . A . 19 VAL H . . . 20 . HN . . . . . 19 . HN . . rr_1dfs 1 6 1 . . 1 1 5 5 SER H H . . . 1 1 6 6 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 5 SER H . . A . 6 CYS H . . . 5 . HN . . . . . 6 . HN . . rr_1dfs 1 7 1 . . 1 1 5 5 SER H H . . . 1 1 7 7 CYS H H . . . . . 1.8 1.8 5.0 . . . . . A . 5 SER H . . A . 7 CYS H . . . 5 . HN . . . . . 7 . HN . . rr_1dfs 1 8 1 . . 1 1 28 28 THR H H . . . 1 1 29 29 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 28 THR H . . A . 29 CYS H . . . 28 . HN . . . . . 29 . HN . . rr_1dfs 1 9 1 . . 1 1 28 28 THR H H . . . 1 1 30 30 CYS H H . . . . . 1.8 1.8 5.0 . . . . . A . 28 THR H . . A . 30 CYS H . . . 28 . HN . . . . . 30 . HN . . rr_1dfs 1 10 1 . . 1 1 28 28 THR H H . . . 1 1 27 27 CYS H H . . . . . 1.8 1.8 5.0 . . . . . A . 28 THR H . . A . 27 CYS H . . . 28 . HN . . . . . 27 . HN . . rr_1dfs 1 11 1 . . 1 1 11 11 CYS H H . . . 1 1 10 10 GLY H H . . . . . 1.8 1.8 2.7 . . . . . A . 11 CYS H . . A . 10 GLY H . . . 11 . HN . . . . . 10 . HN . . rr_1dfs 1 12 1 . . 1 1 10 10 GLY H H . . . 1 1 9 9 VAL H H . . . . . 1.8 1.8 5.0 . . . . . A . 10 GLY H . . A . 9 VAL H . . . 10 . HN . . . . . 9 . HN . . rr_1dfs 1 13 1 . . 1 1 18 18 CYS H H . . . 1 1 17 17 GLY H H . . . . . 1.8 1.8 2.7 . . . . . A . 18 CYS H . . A . 17 GLY H . . . 18 . HN . . . . . 17 . HN . . rr_1dfs 1 14 1 . . 1 1 2 2 SER H H . . . 1 1 1 1 LYS N N . . . . . 1.8 1.8 5.2 . . . . . A . 2 SER H . . A . 1 LYS N . . . 2 . HN . . . . . 1 . N . . rr_1dfs 1 15 1 . . 1 1 22 22 GLY H H . . . 1 1 23 23 ALA H H . . . . . 1.8 1.8 2.7 . . . . . A . 22 GLY H . . A . 23 ALA H . . . 22 . HN . . . . . 23 . HN . . rr_1dfs 1 16 1 . . 1 1 21 21 LYS H H . . . 1 1 22 22 GLY H H . . . . . 1.8 1.8 3.3 . . . . . A . 21 LYS H . . A . 22 GLY H . . . 21 . HN . . . . . 22 . HN . . rr_1dfs 1 17 1 . . 1 1 27 27 CYS H H . . . 1 1 26 26 LYS H H . . . . . 1.8 1.8 5.0 . . . . . A . 27 CYS H . . A . 26 LYS H . . . 27 . HN . . . . . 26 . HN . . rr_1dfs 1 18 1 . . 1 1 23 23 ALA H H . . . 1 1 25 25 ASP H H . . . . . 1.8 1.8 3.3 . . . . . A . 23 ALA H . . A . 25 ASP H . . . 23 . HN . . . . . 25 . HN . . rr_1dfs 1 19 1 . . 1 1 6 6 CYS H H . . . 1 1 7 7 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 6 CYS H . . A . 7 CYS H . . . 6 . HN . . . . . 7 . HN . . rr_1dfs 1 20 1 . . 1 1 29 29 CYS H H . . . 1 1 30 30 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 29 CYS H . . A . 30 CYS H . . . 29 . HN . . . . . 30 . HN . . rr_1dfs 1 21 1 . . 1 1 26 26 LYS H H . . . 1 1 25 25 ASP H H . . . . . 1.8 1.8 2.7 . . . . . A . 26 LYS H . . A . 25 ASP H . . . 26 . HN . . . . . 25 . HN . . rr_1dfs 1 22 1 . . 1 1 23 23 ALA H H . . . 1 1 24 24 ALA H H . . . . . 1.8 1.8 5.0 . . . . . A . 23 ALA H . . A . 24 ALA H . . . 23 . HN . . . . . 24 . HN . . rr_1dfs 1 23 1 . . 1 1 3 3 CYS H H . . . 1 1 4 4 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 3 CYS H . . A . 4 CYS H . . . 3 . HN . . . . . 4 . HN . . rr_1dfs 1 24 1 . . 1 1 13 13 LYS H H . . . 1 1 14 14 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 13 LYS H . . A . 14 CYS H . . . 13 . HN . . . . . 14 . HN . . rr_1dfs 1 25 1 . . 1 1 13 13 LYS H H . . . 1 1 15 15 ALA H H . . . . . 1.8 1.8 3.3 . . . . . A . 13 LYS H . . A . 15 ALA H . . . 13 . HN . . . . . 15 . HN . . rr_1dfs 1 26 1 . . 1 1 17 17 GLY H H . . . 1 1 16 16 GLN H H . . . . . 1.8 1.8 2.7 . . . . . A . 17 GLY H . . A . 16 GLN H . . . 17 . HN . . . . . 16 . HN . . rr_1dfs 1 27 1 . . 1 1 15 15 ALA H H . . . 1 1 16 16 GLN H H . . . . . 1.8 1.8 2.7 . . . . . A . 15 ALA H . . A . 16 GLN H . . . 15 . HN . . . . . 16 . HN . . rr_1dfs 1 28 1 . . 1 1 30 30 CYS H H . . . 1 1 31 31 ALA H H . . . . . 1.8 1.8 2.7 . . . . . A . 30 CYS H . . A . 31 ALA H . . . 30 . HN . . . . . 31 . HN . . rr_1dfs 1 29 1 . . 1 1 14 14 CYS H H . . . 1 1 15 15 ALA H H . . . . . 1.8 1.8 3.3 . . . . . A . 14 CYS H . . A . 15 ALA H . . . 14 . HN . . . . . 15 . HN . . rr_1dfs 1 30 1 . . 1 1 17 17 GLY H H . . . 1 1 15 15 ALA H H . . . . . 1.8 1.8 5.0 . . . . . A . 17 GLY H . . A . 15 ALA H . . . 17 . HN . . . . . 15 . HN . . rr_1dfs 1 31 1 . . 1 1 12 12 SER H H . . . 1 1 12 12 SER HA H . . . . . 1.8 1.8 2.7 . . . . . A . 12 SER H . . A . 12 SER HA . . . 12 . HN . . . . . 12 . HA . . rr_1dfs 1 32 1 OR . 1 1 12 12 SER H H . . . 1 1 12 12 SER HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 12 SER H . . A . 12 SER HB2 . . . 12 . HN . . . . . 12 . HB# . . rr_1dfs 1 32 2 OR . 1 1 12 12 SER H H . . . 1 1 12 12 SER HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 12 SER H . . A . 12 SER HB3 . . . 12 . HN . . . . . 12 . HB# . . rr_1dfs 1 33 1 . . 1 1 12 12 SER H H . . . 1 1 11 11 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 12 SER H . . A . 11 CYS HA . . . 12 . HN . . . . . 11 . HA . . rr_1dfs 1 34 1 OR . 1 1 12 12 SER H H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 12 SER H . . A . 11 CYS HB2 . . . 12 . HN . . . . . 11 . HB# . . rr_1dfs 1 34 2 OR . 1 1 12 12 SER H H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 12 SER H . . A . 11 CYS HB3 . . . 12 . HN . . . . . 11 . HB# . . rr_1dfs 1 35 1 OR . 1 1 12 12 SER H H . . . 1 1 13 13 LYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 12 SER H . . A . 13 LYS HB2 . . . 12 . HN . . . . . 13 . HB# . . rr_1dfs 1 35 2 OR . 1 1 12 12 SER H H . . . 1 1 13 13 LYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 12 SER H . . A . 13 LYS HB3 . . . 12 . HN . . . . . 13 . HB# . . rr_1dfs 1 36 1 OR . 1 1 12 12 SER H H . . . 1 1 13 13 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 12 SER H . . A . 13 LYS HG2 . . . 12 . HN . . . . . 13 . HG# . . rr_1dfs 1 36 2 OR . 1 1 12 12 SER H H . . . 1 1 13 13 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 12 SER H . . A . 13 LYS HG3 . . . 12 . HN . . . . . 13 . HG# . . rr_1dfs 1 37 1 . . 1 1 20 20 CYS H H . . . 1 1 18 18 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 20 CYS H . . A . 18 CYS HA . . . 20 . HN . . . . . 18 . HA . . rr_1dfs 1 38 1 . . 1 1 20 20 CYS H H . . . 1 1 20 20 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 20 CYS H . . A . 20 CYS HA . . . 20 . HN . . . . . 20 . HA . . rr_1dfs 1 39 1 . . 1 1 20 20 CYS H H . . . 1 1 19 19 VAL HA H . . . . . 1.8 1.8 2.7 . . . . . A . 20 CYS H . . A . 19 VAL HA . . . 20 . HN . . . . . 19 . HA . . rr_1dfs 1 40 1 OR . 1 1 20 20 CYS H H . . . 1 1 20 20 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 20 CYS H . . A . 20 CYS HB2 . . . 20 . HN . . . . . 20 . HB# . . rr_1dfs 1 40 2 OR . 1 1 20 20 CYS H H . . . 1 1 20 20 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 20 CYS H . . A . 20 CYS HB3 . . . 20 . HN . . . . . 20 . HB# . . rr_1dfs 1 41 1 OR . 1 1 20 20 CYS H H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 20 CYS H . . A . 19 VAL MG1 . . . 20 . HN . . . . . 19 . HG# . . rr_1dfs 1 41 2 OR . 1 1 20 20 CYS H H . . . 1 1 19 19 VAL MG2 H . . . . . 1.8 1.8 3.8 . . . . . A . 20 CYS H . . A . 19 VAL MG2 . . . 20 . HN . . . . . 19 . HG# . . rr_1dfs 1 42 1 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 5 SER H . . A . 5 SER HB2 . . . 5 . HN . . . . . 5 . HB# . . rr_1dfs 1 42 2 OR . 1 1 5 5 SER H H . . . 1 1 5 5 SER HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 5 SER H . . A . 5 SER HB3 . . . 5 . HN . . . . . 5 . HB# . . rr_1dfs 1 43 1 . . 1 1 5 5 SER H H . . . 1 1 5 5 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 5 SER H . . A . 5 SER HA . . . 5 . HN . . . . . 5 . HA . . rr_1dfs 1 44 1 . . 1 1 5 5 SER H H . . . 1 1 4 4 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 5 SER H . . A . 4 CYS HA . . . 5 . HN . . . . . 4 . HA . . rr_1dfs 1 45 1 OR . 1 1 5 5 SER H H . . . 1 1 4 4 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 5 SER H . . A . 4 CYS HB2 . . . 5 . HN . . . . . 4 . HB# . . rr_1dfs 1 45 2 OR . 1 1 5 5 SER H H . . . 1 1 4 4 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 5 SER H . . A . 4 CYS HB3 . . . 5 . HN . . . . . 4 . HB# . . rr_1dfs 1 46 1 . . 1 1 28 28 THR H H . . . 1 1 28 28 THR HA H . . . . . 1.8 1.8 3.3 . . . . . A . 28 THR H . . A . 28 THR HA . . . 28 . HN . . . . . 28 . HA . . rr_1dfs 1 47 1 . . 1 1 28 28 THR H H . . . 1 1 27 27 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 28 THR H . . A . 27 CYS HA . . . 28 . HN . . . . . 27 . HA . . rr_1dfs 1 48 1 OR . 1 1 28 28 THR H H . . . 1 1 27 27 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 28 THR H . . A . 27 CYS HB2 . . . 28 . HN . . . . . 27 . HB# . . rr_1dfs 1 48 2 OR . 1 1 28 28 THR H H . . . 1 1 27 27 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 28 THR H . . A . 27 CYS HB3 . . . 28 . HN . . . . . 27 . HB# . . rr_1dfs 1 49 1 OR . 1 1 28 28 THR H H . . . 1 1 28 28 THR MG H . . . . . 1.8 1.8 3.8 . . . . . A . 28 THR H . . A . 28 THR MG . . . 28 . HN . . . . . 28 . HG# . . rr_1dfs 1 49 2 OR . 1 1 28 28 THR H H . . . 1 1 28 28 THR HG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 28 THR H . . A . 28 THR HG1 . . . 28 . HN . . . . . 28 . HG# . . rr_1dfs 1 50 1 OR . 1 1 28 28 THR H H . . . 1 1 26 26 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 28 THR H . . A . 26 LYS HG2 . . . 28 . HN . . . . . 26 . HG# . . rr_1dfs 1 50 2 OR . 1 1 28 28 THR H H . . . 1 1 26 26 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 28 THR H . . A . 26 LYS HG3 . . . 28 . HN . . . . . 26 . HG# . . rr_1dfs 1 51 1 OR . 1 1 10 10 GLY H H . . . 1 1 10 10 GLY HA2 H . . . . . 1.8 1.8 2.7 . . . . . A . 10 GLY H . . A . 10 GLY HA2 . . . 10 . HN . . . . . 10 . HA# . . rr_1dfs 1 51 2 OR . 1 1 10 10 GLY H H . . . 1 1 10 10 GLY HA3 H . . . . . 1.8 1.8 2.7 . . . . . A . 10 GLY H . . A . 10 GLY HA3 . . . 10 . HN . . . . . 10 . HA# . . rr_1dfs 1 52 1 . . 1 1 10 10 GLY H H . . . 1 1 9 9 VAL HA H . . . . . 1.8 1.8 3.3 . . . . . A . 10 GLY H . . A . 9 VAL HA . . . 10 . HN . . . . . 9 . HA . . rr_1dfs 1 53 1 . . 1 1 10 10 GLY H H . . . 1 1 9 9 VAL HB H . . . . . 1.8 1.8 5.0 . . . . . A . 10 GLY H . . A . 9 VAL HB . . . 10 . HN . . . . . 9 . HB . . rr_1dfs 1 54 1 OR . 1 1 10 10 GLY H H . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 10 GLY H . . A . 9 VAL MG1 . . . 10 . HN . . . . . 9 . HG# . . rr_1dfs 1 54 2 OR . 1 1 10 10 GLY H H . . . 1 1 9 9 VAL MG2 H . . . . . 1.8 1.8 3.8 . . . . . A . 10 GLY H . . A . 9 VAL MG2 . . . 10 . HN . . . . . 9 . HG# . . rr_1dfs 1 55 1 OR . 1 1 18 18 CYS H H . . . 1 1 18 18 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 18 CYS H . . A . 18 CYS HB2 . . . 18 . HN . . . . . 18 . HB# . . rr_1dfs 1 55 2 OR . 1 1 18 18 CYS H H . . . 1 1 18 18 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 18 CYS H . . A . 18 CYS HB3 . . . 18 . HN . . . . . 18 . HB# . . rr_1dfs 1 56 1 OR . 1 1 18 18 CYS H H . . . 1 1 17 17 GLY HA2 H . . . . . 1.8 1.8 2.7 . . . . . A . 18 CYS H . . A . 17 GLY HA2 . . . 18 . HN . . . . . 17 . HA# . . rr_1dfs 1 56 2 OR . 1 1 18 18 CYS H H . . . 1 1 17 17 GLY HA3 H . . . . . 1.8 1.8 2.7 . . . . . A . 18 CYS H . . A . 17 GLY HA3 . . . 18 . HN . . . . . 17 . HA# . . rr_1dfs 1 57 1 . . 1 1 18 18 CYS H H . . . 1 1 16 16 GLN HA H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS H . . A . 16 GLN HA . . . 18 . HN . . . . . 16 . HA . . rr_1dfs 1 58 1 . . 1 1 18 18 CYS H H . . . 1 1 14 14 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS H . . A . 14 CYS HA . . . 18 . HN . . . . . 14 . HA . . rr_1dfs 1 59 1 OR . 1 1 18 18 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS H . . A . 3 CYS HB2 . . . 18 . HN . . . . . 3 . HB# . . rr_1dfs 1 59 2 OR . 1 1 18 18 CYS H H . . . 1 1 3 3 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS H . . A . 3 CYS HB3 . . . 18 . HN . . . . . 3 . HB# . . rr_1dfs 1 60 1 . . 1 1 2 2 SER H H . . . 1 1 1 1 LYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 2 SER H . . A . 1 LYS HA . . . 2 . HN . . . . . 1 . HA . . rr_1dfs 1 61 1 . . 1 1 2 2 SER H H . . . 1 1 2 2 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 2 SER H . . A . 2 SER HA . . . 2 . HN . . . . . 2 . HA . . rr_1dfs 1 62 1 OR . 1 1 2 2 SER H H . . . 1 1 2 2 SER HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 2 SER H . . A . 2 SER HB2 . . . 2 . HN . . . . . 2 . HB# . . rr_1dfs 1 62 2 OR . 1 1 2 2 SER H H . . . 1 1 2 2 SER HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 2 SER H . . A . 2 SER HB3 . . . 2 . HN . . . . . 2 . HB# . . rr_1dfs 1 63 1 OR . 1 1 2 2 SER H H . . . 1 1 1 1 LYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 2 SER H . . A . 1 LYS HB2 . . . 2 . HN . . . . . 1 . HB# . . rr_1dfs 1 63 2 OR . 1 1 2 2 SER H H . . . 1 1 1 1 LYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 2 SER H . . A . 1 LYS HB3 . . . 2 . HN . . . . . 1 . HB# . . rr_1dfs 1 64 1 OR . 1 1 2 2 SER H H . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 2 SER H . . A . 9 VAL MG1 . . . 2 . HN . . . . . 9 . HG# . . rr_1dfs 1 64 2 OR . 1 1 2 2 SER H H . . . 1 1 9 9 VAL MG2 H . . . . . 1.8 1.8 3.8 . . . . . A . 2 SER H . . A . 9 VAL MG2 . . . 2 . HN . . . . . 9 . HG# . . rr_1dfs 1 65 1 OR . 1 1 22 22 GLY H H . . . 1 1 22 22 GLY HA2 H . . . . . 1.8 1.8 2.7 . . . . . A . 22 GLY H . . A . 22 GLY HA2 . . . 22 . HN . . . . . 22 . HA# . . rr_1dfs 1 65 2 OR . 1 1 22 22 GLY H H . . . 1 1 22 22 GLY HA3 H . . . . . 1.8 1.8 2.7 . . . . . A . 22 GLY H . . A . 22 GLY HA3 . . . 22 . HN . . . . . 22 . HA# . . rr_1dfs 1 66 1 OR . 1 1 22 22 GLY H H . . . 1 1 21 21 LYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 22 GLY H . . A . 21 LYS HB2 . . . 22 . HN . . . . . 21 . HB# . . rr_1dfs 1 66 2 OR . 1 1 22 22 GLY H H . . . 1 1 21 21 LYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 22 GLY H . . A . 21 LYS HB3 . . . 22 . HN . . . . . 21 . HB# . . rr_1dfs 1 67 1 OR . 1 1 22 22 GLY H H . . . 1 1 21 21 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 22 GLY H . . A . 21 LYS HG2 . . . 22 . HN . . . . . 21 . HG# . . rr_1dfs 1 67 2 OR . 1 1 22 22 GLY H H . . . 1 1 21 21 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 22 GLY H . . A . 21 LYS HG3 . . . 22 . HN . . . . . 21 . HG# . . rr_1dfs 1 68 1 OR . 1 1 22 22 GLY H H . . . 1 1 20 20 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 22 GLY H . . A . 20 CYS HB2 . . . 22 . HN . . . . . 20 . HB# . . rr_1dfs 1 68 2 OR . 1 1 22 22 GLY H H . . . 1 1 20 20 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 22 GLY H . . A . 20 CYS HB3 . . . 22 . HN . . . . . 20 . HB# . . rr_1dfs 1 69 1 . . 1 1 22 22 GLY H H . . . 1 1 21 21 LYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 22 GLY H . . A . 21 LYS HA . . . 22 . HN . . . . . 21 . HA . . rr_1dfs 1 70 1 . . 1 1 9 9 VAL H H . . . 1 1 9 9 VAL HA H . . . . . 1.8 1.8 3.3 . . . . . A . 9 VAL H . . A . 9 VAL HA . . . 9 . HN . . . . . 9 . HA . . rr_1dfs 1 71 1 OR . 1 1 9 9 VAL H H . . . 1 1 8 8 PRO HD2 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 VAL H . . A . 8 PRO HD2 . . . 9 . HN . . . . . 8 . HD# . . rr_1dfs 1 71 2 OR . 1 1 9 9 VAL H H . . . 1 1 8 8 PRO HD3 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 VAL H . . A . 8 PRO HD3 . . . 9 . HN . . . . . 8 . HD# . . rr_1dfs 1 72 1 . . 1 1 9 9 VAL H H . . . 1 1 8 8 PRO HA H . . . . . 1.8 1.8 5.0 . . . . . A . 9 VAL H . . A . 8 PRO HA . . . 9 . HN . . . . . 8 . HA . . rr_1dfs 1 73 1 . . 1 1 9 9 VAL H H . . . 1 1 5 5 SER HA H . . . . . 1.8 1.8 5.0 . . . . . A . 9 VAL H . . A . 5 SER HA . . . 9 . HN . . . . . 5 . HA . . rr_1dfs 1 74 1 OR . 1 1 9 9 VAL H H . . . 1 1 8 8 PRO HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 VAL H . . A . 8 PRO HB2 . . . 9 . HN . . . . . 8 . HB# . . rr_1dfs 1 74 2 OR . 1 1 9 9 VAL H H . . . 1 1 8 8 PRO HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 VAL H . . A . 8 PRO HB3 . . . 9 . HN . . . . . 8 . HB# . . rr_1dfs 1 75 1 OR . 1 1 9 9 VAL H H . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 9 VAL H . . A . 9 VAL MG1 . . . 9 . HN . . . . . 9 . HG# . . rr_1dfs 1 75 2 OR . 1 1 9 9 VAL H H . . . 1 1 9 9 VAL MG2 H . . . . . 1.8 1.8 3.8 . . . . . A . 9 VAL H . . A . 9 VAL MG2 . . . 9 . HN . . . . . 9 . HG# . . rr_1dfs 1 76 1 . . 1 1 9 9 VAL H H . . . 1 1 9 9 VAL HB H . . . . . 1.8 1.8 3.3 . . . . . A . 9 VAL H . . A . 9 VAL HB . . . 9 . HN . . . . . 9 . HB . . rr_1dfs 1 77 1 . . 1 1 27 27 CYS H H . . . 1 1 27 27 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 27 CYS H . . A . 27 CYS HA . . . 27 . HN . . . . . 27 . HA . . rr_1dfs 1 78 1 . . 1 1 27 27 CYS H H . . . 1 1 26 26 LYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 27 CYS H . . A . 26 LYS HA . . . 27 . HN . . . . . 26 . HA . . rr_1dfs 1 79 1 . . 1 1 27 27 CYS H H . . . 1 1 6 6 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 27 CYS H . . A . 6 CYS HA . . . 27 . HN . . . . . 6 . HA . . rr_1dfs 1 80 1 OR . 1 1 27 27 CYS H H . . . 1 1 27 27 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 27 CYS H . . A . 27 CYS HB2 . . . 27 . HN . . . . . 27 . HB# . . rr_1dfs 1 80 2 OR . 1 1 27 27 CYS H H . . . 1 1 27 27 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 27 CYS H . . A . 27 CYS HB3 . . . 27 . HN . . . . . 27 . HB# . . rr_1dfs 1 81 1 OR . 1 1 27 27 CYS H H . . . 1 1 6 6 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 27 CYS H . . A . 6 CYS HB2 . . . 27 . HN . . . . . 6 . HB# . . rr_1dfs 1 81 2 OR . 1 1 27 27 CYS H H . . . 1 1 6 6 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 27 CYS H . . A . 6 CYS HB3 . . . 27 . HN . . . . . 6 . HB# . . rr_1dfs 1 82 1 OR . 1 1 27 27 CYS H H . . . 1 1 26 26 LYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 27 CYS H . . A . 26 LYS HB2 . . . 27 . HN . . . . . 26 . HB# . . rr_1dfs 1 82 2 OR . 1 1 27 27 CYS H H . . . 1 1 26 26 LYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 27 CYS H . . A . 26 LYS HB3 . . . 27 . HN . . . . . 26 . HB# . . rr_1dfs 1 83 1 OR . 1 1 27 27 CYS H H . . . 1 1 26 26 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 27 CYS H . . A . 26 LYS HG2 . . . 27 . HN . . . . . 26 . HG# . . rr_1dfs 1 83 2 OR . 1 1 27 27 CYS H H . . . 1 1 26 26 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 27 CYS H . . A . 26 LYS HG3 . . . 27 . HN . . . . . 26 . HG# . . rr_1dfs 1 84 1 . . 1 1 6 6 CYS H H . . . 1 1 6 6 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 6 CYS H . . A . 6 CYS HA . . . 6 . HN . . . . . 6 . HA . . rr_1dfs 1 85 1 . . 1 1 6 6 CYS H H . . . 1 1 5 5 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 6 CYS H . . A . 5 SER HA . . . 6 . HN . . . . . 5 . HA . . rr_1dfs 1 86 1 OR . 1 1 6 6 CYS H H . . . 1 1 5 5 SER HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 6 CYS H . . A . 5 SER HB2 . . . 6 . HN . . . . . 5 . HB# . . rr_1dfs 1 86 2 OR . 1 1 6 6 CYS H H . . . 1 1 5 5 SER HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 6 CYS H . . A . 5 SER HB3 . . . 6 . HN . . . . . 5 . HB# . . rr_1dfs 1 87 1 . . 1 1 6 6 CYS H H . . . 1 1 4 4 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 6 CYS H . . A . 4 CYS HA . . . 6 . HN . . . . . 4 . HA . . rr_1dfs 1 88 1 OR . 1 1 6 6 CYS H H . . . 1 1 6 6 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 6 CYS H . . A . 6 CYS HB2 . . . 6 . HN . . . . . 6 . HB# . . rr_1dfs 1 88 2 OR . 1 1 6 6 CYS H H . . . 1 1 6 6 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 6 CYS H . . A . 6 CYS HB3 . . . 6 . HN . . . . . 6 . HB# . . rr_1dfs 1 89 1 OR . 1 1 6 6 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 6 CYS H . . A . 4 CYS HB2 . . . 6 . HN . . . . . 4 . HB# . . rr_1dfs 1 89 2 OR . 1 1 6 6 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 6 CYS H . . A . 4 CYS HB3 . . . 6 . HN . . . . . 4 . HB# . . rr_1dfs 1 90 1 . . 1 1 21 21 LYS H H . . . 1 1 20 20 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 21 LYS H . . A . 20 CYS HA . . . 21 . HN . . . . . 20 . HA . . rr_1dfs 1 91 1 . . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 21 LYS H . . A . 21 LYS HA . . . 21 . HN . . . . . 21 . HA . . rr_1dfs 1 92 1 OR . 1 1 21 21 LYS H H . . . 1 1 20 20 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 21 LYS H . . A . 20 CYS HB2 . . . 21 . HN . . . . . 20 . HB# . . rr_1dfs 1 92 2 OR . 1 1 21 21 LYS H H . . . 1 1 20 20 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 21 LYS H . . A . 20 CYS HB3 . . . 21 . HN . . . . . 20 . HB# . . rr_1dfs 1 93 1 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 21 LYS H . . A . 21 LYS HB2 . . . 21 . HN . . . . . 21 . HB# . . rr_1dfs 1 93 2 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 21 LYS H . . A . 21 LYS HB3 . . . 21 . HN . . . . . 21 . HB# . . rr_1dfs 1 94 1 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 21 LYS H . . A . 21 LYS HG2 . . . 21 . HN . . . . . 21 . HG# . . rr_1dfs 1 94 2 OR . 1 1 21 21 LYS H H . . . 1 1 21 21 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 21 LYS H . . A . 21 LYS HG3 . . . 21 . HN . . . . . 21 . HG# . . rr_1dfs 1 95 1 OR . 1 1 21 21 LYS H H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 LYS H . . A . 19 VAL MG1 . . . 21 . HN . . . . . 19 . HG# . . rr_1dfs 1 95 2 OR . 1 1 21 21 LYS H H . . . 1 1 19 19 VAL MG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 LYS H . . A . 19 VAL MG2 . . . 21 . HN . . . . . 19 . HG# . . rr_1dfs 1 96 1 . . 1 1 25 25 ASP H H . . . 1 1 25 25 ASP HA H . . . . . 1.8 1.8 5.0 . . . . . A . 25 ASP H . . A . 25 ASP HA . . . 25 . HN . . . . . 25 . HA . . rr_1dfs 1 97 1 . . 1 1 25 25 ASP H H . . . 1 1 6 6 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 25 ASP H . . A . 6 CYS HA . . . 25 . HN . . . . . 6 . HA . . rr_1dfs 1 98 1 OR . 1 1 25 25 ASP H H . . . 1 1 5 5 SER HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 25 ASP H . . A . 5 SER HB2 . . . 25 . HN . . . . . 5 . HB# . . rr_1dfs 1 98 2 OR . 1 1 25 25 ASP H H . . . 1 1 5 5 SER HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 25 ASP H . . A . 5 SER HB3 . . . 25 . HN . . . . . 5 . HB# . . rr_1dfs 1 99 1 OR . 1 1 25 25 ASP H H . . . 1 1 25 25 ASP HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 25 ASP H . . A . 25 ASP HB2 . . . 25 . HN . . . . . 25 . HB# . . rr_1dfs 1 99 2 OR . 1 1 25 25 ASP H H . . . 1 1 25 25 ASP HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 25 ASP H . . A . 25 ASP HB3 . . . 25 . HN . . . . . 25 . HB# . . rr_1dfs 1 100 1 OR . 1 1 25 25 ASP H H . . . 1 1 26 26 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 25 ASP H . . A . 26 LYS HG2 . . . 25 . HN . . . . . 26 . HG# . . rr_1dfs 1 100 2 OR . 1 1 25 25 ASP H H . . . 1 1 26 26 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 25 ASP H . . A . 26 LYS HG3 . . . 25 . HN . . . . . 26 . HG# . . rr_1dfs 1 101 1 . . 1 1 29 29 CYS H H . . . 1 1 27 27 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 29 CYS H . . A . 27 CYS HA . . . 29 . HN . . . . . 27 . HA . . rr_1dfs 1 102 1 . . 1 1 29 29 CYS H H . . . 1 1 30 30 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 29 CYS H . . A . 30 CYS HA . . . 29 . HN . . . . . 30 . HA . . rr_1dfs 1 103 1 . . 1 1 29 29 CYS H H . . . 1 1 29 29 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 29 CYS H . . A . 29 CYS HA . . . 29 . HN . . . . . 29 . HA . . rr_1dfs 1 104 1 OR . 1 1 29 29 CYS H H . . . 1 1 27 27 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 29 CYS H . . A . 27 CYS HB2 . . . 29 . HN . . . . . 27 . HB# . . rr_1dfs 1 104 2 OR . 1 1 29 29 CYS H H . . . 1 1 27 27 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 29 CYS H . . A . 27 CYS HB3 . . . 29 . HN . . . . . 27 . HB# . . rr_1dfs 1 105 1 OR . 1 1 29 29 CYS H H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 29 CYS H . . A . 29 CYS HB2 . . . 29 . HN . . . . . 29 . HB# . . rr_1dfs 1 105 2 OR . 1 1 29 29 CYS H H . . . 1 1 29 29 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 29 CYS H . . A . 29 CYS HB3 . . . 29 . HN . . . . . 29 . HB# . . rr_1dfs 1 106 1 OR . 1 1 29 29 CYS H H . . . 1 1 28 28 THR MG H . . . . . 1.8 1.8 5.5 . . . . . A . 29 CYS H . . A . 28 THR MG . . . 29 . HN . . . . . 28 . HG# . . rr_1dfs 1 106 2 OR . 1 1 29 29 CYS H H . . . 1 1 28 28 THR HG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 29 CYS H . . A . 28 THR HG1 . . . 29 . HN . . . . . 28 . HG# . . rr_1dfs 1 107 1 . . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 4 CYS H . . A . 4 CYS HA . . . 4 . HN . . . . . 4 . HA . . rr_1dfs 1 108 1 . . 1 1 4 4 CYS H H . . . 1 1 3 3 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 4 CYS H . . A . 3 CYS HA . . . 4 . HN . . . . . 3 . HA . . rr_1dfs 1 109 1 OR . 1 1 4 4 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 CYS H . . A . 3 CYS HB2 . . . 4 . HN . . . . . 3 . HB# . . rr_1dfs 1 109 2 OR . 1 1 4 4 CYS H H . . . 1 1 3 3 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 CYS H . . A . 3 CYS HB3 . . . 4 . HN . . . . . 3 . HB# . . rr_1dfs 1 110 1 OR . 1 1 4 4 CYS H H . . . 1 1 2 2 SER HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 CYS H . . A . 2 SER HB2 . . . 4 . HN . . . . . 2 . HB# . . rr_1dfs 1 110 2 OR . 1 1 4 4 CYS H H . . . 1 1 2 2 SER HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 CYS H . . A . 2 SER HB3 . . . 4 . HN . . . . . 2 . HB# . . rr_1dfs 1 111 1 OR . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 CYS H . . A . 4 CYS HB2 . . . 4 . HN . . . . . 4 . HB# . . rr_1dfs 1 111 2 OR . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 4 CYS H . . A . 4 CYS HB3 . . . 4 . HN . . . . . 4 . HB# . . rr_1dfs 1 112 1 . . 1 1 1 1 LYS N N . . . 1 1 1 1 LYS HA H . . . . . 1.8 1.8 5.8 . . . . . A . 1 LYS N . . A . 1 LYS HA . . . 1 . N . . . . . 1 . HA . . rr_1dfs 1 113 1 OR . 1 1 1 1 LYS N N . . . 1 1 1 1 LYS HB2 H . . . . . 1.8 1.8 5.2 . . . . . A . 1 LYS N . . A . 1 LYS HB2 . . . 1 . N . . . . . 1 . HB# . . rr_1dfs 1 113 2 OR . 1 1 1 1 LYS N N . . . 1 1 1 1 LYS HB3 H . . . . . 1.8 1.8 5.2 . . . . . A . 1 LYS N . . A . 1 LYS HB3 . . . 1 . N . . . . . 1 . HB# . . rr_1dfs 1 114 1 OR . 1 1 1 1 LYS N N . . . 1 1 1 1 LYS HG2 H . . . . . 1.8 1.8 5.2 . . . . . A . 1 LYS N . . A . 1 LYS HG2 . . . 1 . N . . . . . 1 . HG# . . rr_1dfs 1 114 2 OR . 1 1 1 1 LYS N N . . . 1 1 1 1 LYS HG3 H . . . . . 1.8 1.8 5.2 . . . . . A . 1 LYS N . . A . 1 LYS HG3 . . . 1 . N . . . . . 1 . HG# . . rr_1dfs 1 115 1 OR . 1 1 1 1 LYS N N . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 6.3 . . . . . A . 1 LYS N . . A . 9 VAL MG1 . . . 1 . N . . . . . 9 . HG# . . rr_1dfs 1 115 2 OR . 1 1 1 1 LYS N N . . . 1 1 9 9 VAL MG2 H . . . . . 1.8 1.8 6.3 . . . . . A . 1 LYS N . . A . 9 VAL MG2 . . . 1 . N . . . . . 9 . HG# . . rr_1dfs 1 116 1 . . 1 1 13 13 LYS H H . . . 1 1 14 14 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 13 LYS H . . A . 14 CYS HA . . . 13 . HN . . . . . 14 . HA . . rr_1dfs 1 117 1 . . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 13 LYS H . . A . 13 LYS HA . . . 13 . HN . . . . . 13 . HA . . rr_1dfs 1 118 1 OR . 1 1 13 13 LYS H H . . . 1 1 12 12 SER HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 13 LYS H . . A . 12 SER HB2 . . . 13 . HN . . . . . 12 . HB# . . rr_1dfs 1 118 2 OR . 1 1 13 13 LYS H H . . . 1 1 12 12 SER HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 13 LYS H . . A . 12 SER HB3 . . . 13 . HN . . . . . 12 . HB# . . rr_1dfs 1 119 1 . . 1 1 13 13 LYS H H . . . 1 1 11 11 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 13 LYS H . . A . 11 CYS HA . . . 13 . HN . . . . . 11 . HA . . rr_1dfs 1 120 1 OR . 1 1 13 13 LYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 13 LYS H . . A . 11 CYS HB2 . . . 13 . HN . . . . . 11 . HB# . . rr_1dfs 1 120 2 OR . 1 1 13 13 LYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 13 LYS H . . A . 11 CYS HB3 . . . 13 . HN . . . . . 11 . HB# . . rr_1dfs 1 121 1 OR . 1 1 13 13 LYS H H . . . 1 1 14 14 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 13 LYS H . . A . 14 CYS HB2 . . . 13 . HN . . . . . 14 . HB# . . rr_1dfs 1 121 2 OR . 1 1 13 13 LYS H H . . . 1 1 14 14 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 13 LYS H . . A . 14 CYS HB3 . . . 13 . HN . . . . . 14 . HB# . . rr_1dfs 1 122 1 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 13 LYS H . . A . 13 LYS HB2 . . . 13 . HN . . . . . 13 . HB# . . rr_1dfs 1 122 2 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 13 LYS H . . A . 13 LYS HB3 . . . 13 . HN . . . . . 13 . HB# . . rr_1dfs 1 123 1 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 13 LYS H . . A . 13 LYS HG2 . . . 13 . HN . . . . . 13 . HG# . . rr_1dfs 1 123 2 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 13 LYS H . . A . 13 LYS HG3 . . . 13 . HN . . . . . 13 . HG# . . rr_1dfs 1 124 1 . . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 3 CYS H . . A . 3 CYS HA . . . 3 . HN . . . . . 3 . HA . . rr_1dfs 1 125 1 OR . 1 1 3 3 CYS H H . . . 1 1 2 2 SER HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 3 CYS H . . A . 2 SER HB2 . . . 3 . HN . . . . . 2 . HB# . . rr_1dfs 1 125 2 OR . 1 1 3 3 CYS H H . . . 1 1 2 2 SER HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 3 CYS H . . A . 2 SER HB3 . . . 3 . HN . . . . . 2 . HB# . . rr_1dfs 1 126 1 OR . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 3 CYS H . . A . 3 CYS HB2 . . . 3 . HN . . . . . 3 . HB# . . rr_1dfs 1 126 2 OR . 1 1 3 3 CYS H H . . . 1 1 3 3 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 3 CYS H . . A . 3 CYS HB3 . . . 3 . HN . . . . . 3 . HB# . . rr_1dfs 1 127 1 OR . 1 1 3 3 CYS H H . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 3 CYS H . . A . 9 VAL MG1 . . . 3 . HN . . . . . 9 . HG# . . rr_1dfs 1 127 2 OR . 1 1 3 3 CYS H H . . . 1 1 9 9 VAL MG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 3 CYS H . . A . 9 VAL MG2 . . . 3 . HN . . . . . 9 . HG# . . rr_1dfs 1 128 1 . . 1 1 16 16 GLN H H . . . 1 1 14 14 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 16 GLN H . . A . 14 CYS HA . . . 16 . HN . . . . . 14 . HA . . rr_1dfs 1 129 1 . . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HA H . . . . . 1.8 1.8 2.7 . . . . . A . 16 GLN H . . A . 16 GLN HA . . . 16 . HN . . . . . 16 . HA . . rr_1dfs 1 130 1 . . 1 1 16 16 GLN H H . . . 1 1 15 15 ALA HA H . . . . . 1.8 1.8 3.3 . . . . . A . 16 GLN H . . A . 15 ALA HA . . . 16 . HN . . . . . 15 . HA . . rr_1dfs 1 131 1 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 16 GLN H . . A . 16 GLN HB2 . . . 16 . HN . . . . . 16 . HB# . . rr_1dfs 1 131 2 OR . 1 1 16 16 GLN H H . . . 1 1 16 16 GLN HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 16 GLN H . . A . 16 GLN HB3 . . . 16 . HN . . . . . 16 . HB# . . rr_1dfs 1 132 1 . . 1 1 16 16 GLN H H . . . 1 1 15 15 ALA MB H . . . . . 1.8 1.8 5.5 . . . . . A . 16 GLN H . . A . 15 ALA MB . . . 16 . HN . . . . . 15 . HB# . . rr_1dfs 1 133 1 OR . 1 1 16 16 GLN H H . . . 1 1 17 17 GLY HA2 H . . . . . 1.8 1.8 5.0 . . . . . A . 16 GLN H . . A . 17 GLY HA2 . . . 16 . HN . . . . . 17 . HA# . . rr_1dfs 1 133 2 OR . 1 1 16 16 GLN H H . . . 1 1 17 17 GLY HA3 H . . . . . 1.8 1.8 5.0 . . . . . A . 16 GLN H . . A . 17 GLY HA3 . . . 16 . HN . . . . . 17 . HA# . . rr_1dfs 1 134 1 . . 1 1 23 23 ALA H H . . . 1 1 23 23 ALA HA H . . . . . 1.8 1.8 2.7 . . . . . A . 23 ALA H . . A . 23 ALA HA . . . 23 . HN . . . . . 23 . HA . . rr_1dfs 1 135 1 . . 1 1 23 23 ALA H H . . . 1 1 27 27 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 23 ALA H . . A . 27 CYS HA . . . 23 . HN . . . . . 27 . HA . . rr_1dfs 1 136 1 . . 1 1 23 23 ALA H H . . . 1 1 23 23 ALA MB H . . . . . 1.8 1.8 3.8 . . . . . A . 23 ALA H . . A . 23 ALA MB . . . 23 . HN . . . . . 23 . HB# . . rr_1dfs 1 137 1 OR . 1 1 23 23 ALA H H . . . 1 1 22 22 GLY HA2 H . . . . . 1.8 1.8 3.3 . . . . . A . 23 ALA H . . A . 22 GLY HA2 . . . 23 . HN . . . . . 22 . HA# . . rr_1dfs 1 137 2 OR . 1 1 23 23 ALA H H . . . 1 1 22 22 GLY HA3 H . . . . . 1.8 1.8 3.3 . . . . . A . 23 ALA H . . A . 22 GLY HA3 . . . 23 . HN . . . . . 22 . HA# . . rr_1dfs 1 138 1 . . 1 1 30 30 CYS H H . . . 1 1 30 30 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 30 CYS H . . A . 30 CYS HA . . . 30 . HN . . . . . 30 . HA . . rr_1dfs 1 139 1 . . 1 1 30 30 CYS H H . . . 1 1 29 29 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 30 CYS H . . A . 29 CYS HA . . . 30 . HN . . . . . 29 . HA . . rr_1dfs 1 140 1 . . 1 1 30 30 CYS H H . . . 1 1 28 28 THR HA H . . . . . 1.8 1.8 5.0 . . . . . A . 30 CYS H . . A . 28 THR HA . . . 30 . HN . . . . . 28 . HA . . rr_1dfs 1 141 1 OR . 1 1 30 30 CYS H H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 30 CYS H . . A . 29 CYS HB2 . . . 30 . HN . . . . . 29 . HB# . . rr_1dfs 1 141 2 OR . 1 1 30 30 CYS H H . . . 1 1 29 29 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 30 CYS H . . A . 29 CYS HB3 . . . 30 . HN . . . . . 29 . HB# . . rr_1dfs 1 142 1 OR . 1 1 30 30 CYS H H . . . 1 1 27 27 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 30 CYS H . . A . 27 CYS HB2 . . . 30 . HN . . . . . 27 . HB# . . rr_1dfs 1 142 2 OR . 1 1 30 30 CYS H H . . . 1 1 27 27 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 30 CYS H . . A . 27 CYS HB3 . . . 30 . HN . . . . . 27 . HB# . . rr_1dfs 1 143 1 OR . 1 1 30 30 CYS H H . . . 1 1 30 30 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 30 CYS H . . A . 30 CYS HB2 . . . 30 . HN . . . . . 30 . HB# . . rr_1dfs 1 143 2 OR . 1 1 30 30 CYS H H . . . 1 1 30 30 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 30 CYS H . . A . 30 CYS HB3 . . . 30 . HN . . . . . 30 . HB# . . rr_1dfs 1 144 1 . . 1 1 30 30 CYS H H . . . 1 1 31 31 ALA MB H . . . . . 1.8 1.8 5.5 . . . . . A . 30 CYS H . . A . 31 ALA MB . . . 30 . HN . . . . . 31 . HB# . . rr_1dfs 1 145 1 . . 1 1 30 30 CYS H H . . . 1 1 31 31 ALA HA H . . . . . 1.8 1.8 5.0 . . . . . A . 30 CYS H . . A . 31 ALA HA . . . 30 . HN . . . . . 31 . HA . . rr_1dfs 1 146 1 . . 1 1 26 26 LYS H H . . . 1 1 26 26 LYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 26 LYS H . . A . 26 LYS HA . . . 26 . HN . . . . . 26 . HA . . rr_1dfs 1 147 1 . . 1 1 26 26 LYS H H . . . 1 1 25 25 ASP HA H . . . . . 1.8 1.8 3.3 . . . . . A . 26 LYS H . . A . 25 ASP HA . . . 26 . HN . . . . . 25 . HA . . rr_1dfs 1 148 1 . . 1 1 26 26 LYS H H . . . 1 1 6 6 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 26 LYS H . . A . 6 CYS HA . . . 26 . HN . . . . . 6 . HA . . rr_1dfs 1 149 1 OR . 1 1 26 26 LYS H H . . . 1 1 25 25 ASP HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 26 LYS H . . A . 25 ASP HB2 . . . 26 . HN . . . . . 25 . HB# . . rr_1dfs 1 149 2 OR . 1 1 26 26 LYS H H . . . 1 1 25 25 ASP HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 26 LYS H . . A . 25 ASP HB3 . . . 26 . HN . . . . . 25 . HB# . . rr_1dfs 1 150 1 OR . 1 1 26 26 LYS H H . . . 1 1 26 26 LYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 26 LYS H . . A . 26 LYS HB2 . . . 26 . HN . . . . . 26 . HB# . . rr_1dfs 1 150 2 OR . 1 1 26 26 LYS H H . . . 1 1 26 26 LYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 26 LYS H . . A . 26 LYS HB3 . . . 26 . HN . . . . . 26 . HB# . . rr_1dfs 1 151 1 OR . 1 1 26 26 LYS H H . . . 1 1 26 26 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 26 LYS H . . A . 26 LYS HG2 . . . 26 . HN . . . . . 26 . HG# . . rr_1dfs 1 151 2 OR . 1 1 26 26 LYS H H . . . 1 1 26 26 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 26 LYS H . . A . 26 LYS HG3 . . . 26 . HN . . . . . 26 . HG# . . rr_1dfs 1 152 1 OR . 1 1 26 26 LYS H H . . . 1 1 6 6 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 26 LYS H . . A . 6 CYS HB2 . . . 26 . HN . . . . . 6 . HB# . . rr_1dfs 1 152 2 OR . 1 1 26 26 LYS H H . . . 1 1 6 6 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 26 LYS H . . A . 6 CYS HB3 . . . 26 . HN . . . . . 6 . HB# . . rr_1dfs 1 153 1 . . 1 1 24 24 ALA H H . . . 1 1 24 24 ALA HA H . . . . . 1.8 1.8 2.7 . . . . . A . 24 ALA H . . A . 24 ALA HA . . . 24 . HN . . . . . 24 . HA . . rr_1dfs 1 154 1 . . 1 1 24 24 ALA H H . . . 1 1 24 24 ALA MB H . . . . . 1.8 1.8 3.8 . . . . . A . 24 ALA H . . A . 24 ALA MB . . . 24 . HN . . . . . 24 . HB# . . rr_1dfs 1 155 1 . . 1 1 14 14 CYS H H . . . 1 1 14 14 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 14 CYS H . . A . 14 CYS HA . . . 14 . HN . . . . . 14 . HA . . rr_1dfs 1 156 1 OR . 1 1 14 14 CYS H H . . . 1 1 14 14 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 14 CYS H . . A . 14 CYS HB2 . . . 14 . HN . . . . . 14 . HB# . . rr_1dfs 1 156 2 OR . 1 1 14 14 CYS H H . . . 1 1 14 14 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 14 CYS H . . A . 14 CYS HB3 . . . 14 . HN . . . . . 14 . HB# . . rr_1dfs 1 157 1 . . 1 1 14 14 CYS H H . . . 1 1 15 15 ALA HA H . . . . . 1.8 1.8 5.0 . . . . . A . 14 CYS H . . A . 15 ALA HA . . . 14 . HN . . . . . 15 . HA . . rr_1dfs 1 158 1 . . 1 1 14 14 CYS H H . . . 1 1 13 13 LYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 14 CYS H . . A . 13 LYS HA . . . 14 . HN . . . . . 13 . HA . . rr_1dfs 1 159 1 OR . 1 1 14 14 CYS H H . . . 1 1 13 13 LYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 14 CYS H . . A . 13 LYS HB2 . . . 14 . HN . . . . . 13 . HB# . . rr_1dfs 1 159 2 OR . 1 1 14 14 CYS H H . . . 1 1 13 13 LYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 14 CYS H . . A . 13 LYS HB3 . . . 14 . HN . . . . . 13 . HB# . . rr_1dfs 1 160 1 OR . 1 1 14 14 CYS H H . . . 1 1 12 12 SER HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 14 CYS H . . A . 12 SER HB2 . . . 14 . HN . . . . . 12 . HB# . . rr_1dfs 1 160 2 OR . 1 1 14 14 CYS H H . . . 1 1 12 12 SER HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 14 CYS H . . A . 12 SER HB3 . . . 14 . HN . . . . . 12 . HB# . . rr_1dfs 1 161 1 OR . 1 1 14 14 CYS H H . . . 1 1 13 13 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 14 CYS H . . A . 13 LYS HG2 . . . 14 . HN . . . . . 13 . HG# . . rr_1dfs 1 161 2 OR . 1 1 14 14 CYS H H . . . 1 1 13 13 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 14 CYS H . . A . 13 LYS HG3 . . . 14 . HN . . . . . 13 . HG# . . rr_1dfs 1 162 1 OR . 1 1 14 14 CYS H H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 14 CYS H . . A . 19 VAL MG1 . . . 14 . HN . . . . . 19 . HG# . . rr_1dfs 1 162 2 OR . 1 1 14 14 CYS H H . . . 1 1 19 19 VAL MG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 14 CYS H . . A . 19 VAL MG2 . . . 14 . HN . . . . . 19 . HG# . . rr_1dfs 1 163 1 OR . 1 1 14 14 CYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 14 CYS H . . A . 11 CYS HB2 . . . 14 . HN . . . . . 11 . HB# . . rr_1dfs 1 163 2 OR . 1 1 14 14 CYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 14 CYS H . . A . 11 CYS HB3 . . . 14 . HN . . . . . 11 . HB# . . rr_1dfs 1 164 1 . . 1 1 19 19 VAL H H . . . 1 1 19 19 VAL HA H . . . . . 1.8 1.8 2.7 . . . . . A . 19 VAL H . . A . 19 VAL HA . . . 19 . HN . . . . . 19 . HA . . rr_1dfs 1 165 1 . . 1 1 19 19 VAL H H . . . 1 1 18 18 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 19 VAL H . . A . 18 CYS HA . . . 19 . HN . . . . . 18 . HA . . rr_1dfs 1 166 1 OR . 1 1 19 19 VAL H H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 3.2 . . . . . A . 19 VAL H . . A . 19 VAL MG1 . . . 19 . HN . . . . . 19 . HG# . . rr_1dfs 1 166 2 OR . 1 1 19 19 VAL H H . . . 1 1 19 19 VAL MG2 H . . . . . 1.8 1.8 3.2 . . . . . A . 19 VAL H . . A . 19 VAL MG2 . . . 19 . HN . . . . . 19 . HG# . . rr_1dfs 1 167 1 . . 1 1 19 19 VAL H H . . . 1 1 19 19 VAL HB H . . . . . 1.8 1.8 3.3 . . . . . A . 19 VAL H . . A . 19 VAL HB . . . 19 . HN . . . . . 19 . HB . . rr_1dfs 1 168 1 OR . 1 1 19 19 VAL H H . . . 1 1 20 20 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 19 VAL H . . A . 20 CYS HB2 . . . 19 . HN . . . . . 20 . HB# . . rr_1dfs 1 168 2 OR . 1 1 19 19 VAL H H . . . 1 1 20 20 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 19 VAL H . . A . 20 CYS HB3 . . . 19 . HN . . . . . 20 . HB# . . rr_1dfs 1 169 1 OR . 1 1 19 19 VAL H H . . . 1 1 18 18 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 19 VAL H . . A . 18 CYS HB2 . . . 19 . HN . . . . . 18 . HB# . . rr_1dfs 1 169 2 OR . 1 1 19 19 VAL H H . . . 1 1 18 18 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 19 VAL H . . A . 18 CYS HB3 . . . 19 . HN . . . . . 18 . HB# . . rr_1dfs 1 170 1 OR . 1 1 17 17 GLY H H . . . 1 1 17 17 GLY HA2 H . . . . . 1.8 1.8 2.7 . . . . . A . 17 GLY H . . A . 17 GLY HA2 . . . 17 . HN . . . . . 17 . HA# . . rr_1dfs 1 170 2 OR . 1 1 17 17 GLY H H . . . 1 1 17 17 GLY HA3 H . . . . . 1.8 1.8 2.7 . . . . . A . 17 GLY H . . A . 17 GLY HA3 . . . 17 . HN . . . . . 17 . HA# . . rr_1dfs 1 171 1 . . 1 1 17 17 GLY H H . . . 1 1 16 16 GLN HA H . . . . . 1.8 1.8 3.3 . . . . . A . 17 GLY H . . A . 16 GLN HA . . . 17 . HN . . . . . 16 . HA . . rr_1dfs 1 172 1 . . 1 1 17 17 GLY H H . . . 1 1 15 15 ALA HA H . . . . . 1.8 1.8 5.0 . . . . . A . 17 GLY H . . A . 15 ALA HA . . . 17 . HN . . . . . 15 . HA . . rr_1dfs 1 173 1 . . 1 1 17 17 GLY H H . . . 1 1 15 15 ALA MB H . . . . . 1.8 1.8 5.5 . . . . . A . 17 GLY H . . A . 15 ALA MB . . . 17 . HN . . . . . 15 . HB# . . rr_1dfs 1 174 1 OR . 1 1 17 17 GLY H H . . . 1 1 16 16 GLN HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 17 GLY H . . A . 16 GLN HB2 . . . 17 . HN . . . . . 16 . HB# . . rr_1dfs 1 174 2 OR . 1 1 17 17 GLY H H . . . 1 1 16 16 GLN HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 17 GLY H . . A . 16 GLN HB3 . . . 17 . HN . . . . . 16 . HB# . . rr_1dfs 1 175 1 OR . 1 1 17 17 GLY H H . . . 1 1 14 14 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 17 GLY H . . A . 14 CYS HB2 . . . 17 . HN . . . . . 14 . HB# . . rr_1dfs 1 175 2 OR . 1 1 17 17 GLY H H . . . 1 1 14 14 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 17 GLY H . . A . 14 CYS HB3 . . . 17 . HN . . . . . 14 . HB# . . rr_1dfs 1 176 1 . . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 7 CYS H . . A . 7 CYS HA . . . 7 . HN . . . . . 7 . HA . . rr_1dfs 1 177 1 OR . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 7 CYS H . . A . 7 CYS HB2 . . . 7 . HN . . . . . 7 . HB# . . rr_1dfs 1 177 2 OR . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 7 CYS H . . A . 7 CYS HB3 . . . 7 . HN . . . . . 7 . HB# . . rr_1dfs 1 178 1 OR . 1 1 7 7 CYS H H . . . 1 1 8 8 PRO HD2 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS H . . A . 8 PRO HD2 . . . 7 . HN . . . . . 8 . HD# . . rr_1dfs 1 178 2 OR . 1 1 7 7 CYS H H . . . 1 1 8 8 PRO HD3 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS H . . A . 8 PRO HD3 . . . 7 . HN . . . . . 8 . HD# . . rr_1dfs 1 179 1 . . 1 1 7 7 CYS H H . . . 1 1 6 6 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 7 CYS H . . A . 6 CYS HA . . . 7 . HN . . . . . 6 . HA . . rr_1dfs 1 180 1 . . 1 1 7 7 CYS H H . . . 1 1 5 5 SER HA H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS H . . A . 5 SER HA . . . 7 . HN . . . . . 5 . HA . . rr_1dfs 1 181 1 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS H . . A . 6 CYS HB2 . . . 7 . HN . . . . . 6 . HB# . . rr_1dfs 1 181 2 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS H . . A . 6 CYS HB3 . . . 7 . HN . . . . . 6 . HB# . . rr_1dfs 1 182 1 OR . 1 1 7 7 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS H . . A . 4 CYS HB2 . . . 7 . HN . . . . . 4 . HB# . . rr_1dfs 1 182 2 OR . 1 1 7 7 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS H . . A . 4 CYS HB3 . . . 7 . HN . . . . . 4 . HB# . . rr_1dfs 1 183 1 . . 1 1 31 31 ALA H H . . . 1 1 31 31 ALA HA H . . . . . 1.8 1.8 2.7 . . . . . A . 31 ALA H . . A . 31 ALA HA . . . 31 . HN . . . . . 31 . HA . . rr_1dfs 1 184 1 . . 1 1 31 31 ALA H H . . . 1 1 31 31 ALA MB H . . . . . 1.8 1.8 3.8 . . . . . A . 31 ALA H . . A . 31 ALA MB . . . 31 . HN . . . . . 31 . HB# . . rr_1dfs 1 185 1 . . 1 1 31 31 ALA H H . . . 1 1 30 30 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 31 ALA H . . A . 30 CYS HA . . . 31 . HN . . . . . 30 . HA . . rr_1dfs 1 186 1 OR . 1 1 31 31 ALA H H . . . 1 1 30 30 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 31 ALA H . . A . 30 CYS HB2 . . . 31 . HN . . . . . 30 . HB# . . rr_1dfs 1 186 2 OR . 1 1 31 31 ALA H H . . . 1 1 30 30 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 31 ALA H . . A . 30 CYS HB3 . . . 31 . HN . . . . . 30 . HB# . . rr_1dfs 1 187 1 . . 1 1 31 31 ALA H H . . . 1 1 29 29 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 31 ALA H . . A . 29 CYS HA . . . 31 . HN . . . . . 29 . HA . . rr_1dfs 1 188 1 . . 1 1 31 31 ALA H H . . . 1 1 28 28 THR HA H . . . . . 1.8 1.8 5.0 . . . . . A . 31 ALA H . . A . 28 THR HA . . . 31 . HN . . . . . 28 . HA . . rr_1dfs 1 189 1 . . 1 1 15 15 ALA H H . . . 1 1 15 15 ALA HA H . . . . . 1.8 1.8 2.7 . . . . . A . 15 ALA H . . A . 15 ALA HA . . . 15 . HN . . . . . 15 . HA . . rr_1dfs 1 190 1 . . 1 1 15 15 ALA H H . . . 1 1 14 14 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 15 ALA H . . A . 14 CYS HA . . . 15 . HN . . . . . 14 . HA . . rr_1dfs 1 191 1 . . 1 1 15 15 ALA H H . . . 1 1 13 13 LYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 15 ALA H . . A . 13 LYS HA . . . 15 . HN . . . . . 13 . HA . . rr_1dfs 1 192 1 . . 1 1 15 15 ALA H H . . . 1 1 15 15 ALA MB H . . . . . 1.8 1.8 3.2 . . . . . A . 15 ALA H . . A . 15 ALA MB . . . 15 . HN . . . . . 15 . HB# . . rr_1dfs 1 193 1 OR . 1 1 15 15 ALA H H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 15 ALA H . . A . 11 CYS HB2 . . . 15 . HN . . . . . 11 . HB# . . rr_1dfs 1 193 2 OR . 1 1 15 15 ALA H H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 15 ALA H . . A . 11 CYS HB3 . . . 15 . HN . . . . . 11 . HB# . . rr_1dfs 1 194 1 OR . 1 1 15 15 ALA H H . . . 1 1 13 13 LYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 15 ALA H . . A . 13 LYS HB2 . . . 15 . HN . . . . . 13 . HB# . . rr_1dfs 1 194 2 OR . 1 1 15 15 ALA H H . . . 1 1 13 13 LYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 15 ALA H . . A . 13 LYS HB3 . . . 15 . HN . . . . . 13 . HB# . . rr_1dfs 1 195 1 OR . 1 1 15 15 ALA H H . . . 1 1 14 14 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 15 ALA H . . A . 14 CYS HB2 . . . 15 . HN . . . . . 14 . HB# . . rr_1dfs 1 195 2 OR . 1 1 15 15 ALA H H . . . 1 1 14 14 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 15 ALA H . . A . 14 CYS HB3 . . . 15 . HN . . . . . 14 . HB# . . rr_1dfs 1 196 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 11 CYS H . . A . 11 CYS HA . . . 11 . HN . . . . . 11 . HA . . rr_1dfs 1 197 1 OR . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 11 CYS H . . A . 11 CYS HB2 . . . 11 . HN . . . . . 11 . HB# . . rr_1dfs 1 197 2 OR . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 11 CYS H . . A . 11 CYS HB3 . . . 11 . HN . . . . . 11 . HB# . . rr_1dfs 1 198 1 OR . 1 1 11 11 CYS H H . . . 1 1 10 10 GLY HA2 H . . . . . 1.8 1.8 3.3 . . . . . A . 11 CYS H . . A . 10 GLY HA2 . . . 11 . HN . . . . . 10 . HA# . . rr_1dfs 1 198 2 OR . 1 1 11 11 CYS H H . . . 1 1 10 10 GLY HA3 H . . . . . 1.8 1.8 3.3 . . . . . A . 11 CYS H . . A . 10 GLY HA3 . . . 11 . HN . . . . . 10 . HA# . . rr_1dfs 1 199 1 . . 1 1 11 11 CYS H H . . . 1 1 9 9 VAL HA H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS H . . A . 9 VAL HA . . . 11 . HN . . . . . 9 . HA . . rr_1dfs 1 200 1 OR . 1 1 11 11 CYS H H . . . 1 1 8 8 PRO HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS H . . A . 8 PRO HG2 . . . 11 . HN . . . . . 8 . HG# . . rr_1dfs 1 200 2 OR . 1 1 11 11 CYS H H . . . 1 1 8 8 PRO HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS H . . A . 8 PRO HG3 . . . 11 . HN . . . . . 8 . HG# . . rr_1dfs 1 201 1 OR . 1 1 11 11 CYS H H . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 11 CYS H . . A . 9 VAL MG1 . . . 11 . HN . . . . . 9 . HG# . . rr_1dfs 1 201 2 OR . 1 1 11 11 CYS H H . . . 1 1 9 9 VAL MG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 11 CYS H . . A . 9 VAL MG2 . . . 11 . HN . . . . . 9 . HG# . . rr_1dfs 1 202 1 OR . 1 1 11 11 CYS H H . . . 1 1 14 14 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS H . . A . 14 CYS HB2 . . . 11 . HN . . . . . 14 . HB# . . rr_1dfs 1 202 2 OR . 1 1 11 11 CYS H H . . . 1 1 14 14 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS H . . A . 14 CYS HB3 . . . 11 . HN . . . . . 14 . HB# . . rr_1dfs 1 203 1 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 1 LYS HA . . A . 1 LYS HB2 . . . 1 . HA . . . . . 1 . HB# . . rr_1dfs 1 203 2 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 1 LYS HA . . A . 1 LYS HB3 . . . 1 . HA . . . . . 1 . HB# . . rr_1dfs 1 204 1 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 1 LYS HA . . A . 1 LYS HG2 . . . 1 . HA . . . . . 1 . HG# . . rr_1dfs 1 204 2 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 1 LYS HA . . A . 1 LYS HG3 . . . 1 . HA . . . . . 1 . HG# . . rr_1dfs 1 205 1 OR . 1 1 1 1 LYS HA H . . . 1 1 2 2 SER HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 1 LYS HA . . A . 2 SER HB2 . . . 1 . HA . . . . . 2 . HB# . . rr_1dfs 1 205 2 OR . 1 1 1 1 LYS HA H . . . 1 1 2 2 SER HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 1 LYS HA . . A . 2 SER HB3 . . . 1 . HA . . . . . 2 . HB# . . rr_1dfs 1 206 1 OR . 1 1 1 1 LYS HA H . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 1 LYS HA . . A . 9 VAL MG1 . . . 1 . HA . . . . . 9 . HG# . . rr_1dfs 1 206 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 1 1 LYS HA H . . . . . 1.8 1.8 5.5 . . . . . A . 9 VAL MG2 . . A . 1 LYS HA . . . 9 . HG# . . . . . 1 . HA . . rr_1dfs 1 207 1 OR . 1 1 2 2 SER HA H . . . 1 1 2 2 SER HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 2 SER HA . . A . 2 SER HB2 . . . 2 . HA . . . . . 2 . HB# . . rr_1dfs 1 207 2 OR . 1 1 2 2 SER HA H . . . 1 1 2 2 SER HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 2 SER HA . . A . 2 SER HB3 . . . 2 . HA . . . . . 2 . HB# . . rr_1dfs 1 208 1 OR . 1 1 3 3 CYS HA H . . . 1 1 3 3 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 3 CYS HA . . A . 3 CYS HB2 . . . 3 . HA . . . . . 3 . HB# . . rr_1dfs 1 208 2 OR . 1 1 3 3 CYS HB3 H . . . 1 1 3 3 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 3 CYS HB3 . . A . 3 CYS HA . . . 3 . HB# . . . . . 3 . HA . . rr_1dfs 1 209 1 OR . 1 1 3 3 CYS HA H . . . 1 1 18 18 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 3 CYS HA . . A . 18 CYS HB2 . . . 3 . HA . . . . . 18 . HB# . . rr_1dfs 1 209 2 OR . 1 1 18 18 CYS HB3 H . . . 1 1 3 3 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS HB3 . . A . 3 CYS HA . . . 18 . HB# . . . . . 3 . HA . . rr_1dfs 1 210 1 OR . 1 1 4 4 CYS HA H . . . 1 1 4 4 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 4 CYS HA . . A . 4 CYS HB2 . . . 4 . HA . . . . . 4 . HB# . . rr_1dfs 1 210 2 OR . 1 1 4 4 CYS HA H . . . 1 1 4 4 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 4 CYS HA . . A . 4 CYS HB3 . . . 4 . HA . . . . . 4 . HB# . . rr_1dfs 1 211 1 OR . 1 1 4 4 CYS HA H . . . 1 1 3 3 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 4 CYS HA . . A . 3 CYS HB2 . . . 4 . HA . . . . . 3 . HB# . . rr_1dfs 1 211 2 OR . 1 1 4 4 CYS HA H . . . 1 1 3 3 CYS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 4 CYS HA . . A . 3 CYS HB3 . . . 4 . HA . . . . . 3 . HB# . . rr_1dfs 1 212 1 . . 1 1 5 5 SER HA H . . . 1 1 4 4 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 5 SER HA . . A . 4 CYS HA . . . 5 . HA . . . . . 4 . HA . . rr_1dfs 1 213 1 OR . 1 1 5 5 SER HA H . . . 1 1 5 5 SER HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 5 SER HA . . A . 5 SER HB2 . . . 5 . HA . . . . . 5 . HB# . . rr_1dfs 1 213 2 OR . 1 1 5 5 SER HB3 H . . . 1 1 5 5 SER HA H . . . . . 1.8 1.8 3.3 . . . . . A . 5 SER HB3 . . A . 5 SER HA . . . 5 . HB# . . . . . 5 . HA . . rr_1dfs 1 214 1 . . 1 1 6 6 CYS HA H . . . 1 1 25 25 ASP HA H . . . . . 1.8 1.8 5.0 . . . . . A . 6 CYS HA . . A . 25 ASP HA . . . 6 . HA . . . . . 25 . HA . . rr_1dfs 1 215 1 OR . 1 1 6 6 CYS HA H . . . 1 1 6 6 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 6 CYS HA . . A . 6 CYS HB2 . . . 6 . HA . . . . . 6 . HB# . . rr_1dfs 1 215 2 OR . 1 1 6 6 CYS HA H . . . 1 1 6 6 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 6 CYS HA . . A . 6 CYS HB3 . . . 6 . HA . . . . . 6 . HB# . . rr_1dfs 1 216 1 OR . 1 1 7 7 CYS HA H . . . 1 1 7 7 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 7 CYS HA . . A . 7 CYS HB2 . . . 7 . HA . . . . . 7 . HB# . . rr_1dfs 1 216 2 OR . 1 1 7 7 CYS HA H . . . 1 1 7 7 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 7 CYS HA . . A . 7 CYS HB3 . . . 7 . HA . . . . . 7 . HB# . . rr_1dfs 1 217 1 OR . 1 1 7 7 CYS HA H . . . 1 1 8 8 PRO HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS HA . . A . 8 PRO HB2 . . . 7 . HA . . . . . 8 . HB# . . rr_1dfs 1 217 2 OR . 1 1 8 8 PRO HB3 H . . . 1 1 7 7 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 8 PRO HB3 . . A . 7 CYS HA . . . 8 . HB# . . . . . 7 . HA . . rr_1dfs 1 218 1 OR . 1 1 7 7 CYS HA H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS HA . . A . 11 CYS HB2 . . . 7 . HA . . . . . 11 . HB# . . rr_1dfs 1 218 2 OR . 1 1 11 11 CYS HB3 H . . . 1 1 7 7 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS HB3 . . A . 7 CYS HA . . . 11 . HB# . . . . . 7 . HA . . rr_1dfs 1 219 1 OR . 1 1 7 7 CYS HA H . . . 1 1 8 8 PRO HD2 H . . . . . 1.8 1.8 2.7 . . . . . A . 7 CYS HA . . A . 8 PRO HD2 . . . 7 . HA . . . . . 8 . HD# . . rr_1dfs 1 219 2 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 8 PRO HD3 . . A . 7 CYS HA . . . 8 . HD# . . . . . 7 . HA . . rr_1dfs 1 220 1 OR . 1 1 7 7 CYS HA H . . . 1 1 8 8 PRO HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS HA . . A . 8 PRO HG2 . . . 7 . HA . . . . . 8 . HG# . . rr_1dfs 1 220 2 OR . 1 1 7 7 CYS HA H . . . 1 1 8 8 PRO HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS HA . . A . 8 PRO HG3 . . . 7 . HA . . . . . 8 . HG# . . rr_1dfs 1 221 1 OR . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 8 PRO HA . . A . 8 PRO HB2 . . . 8 . HA . . . . . 8 . HB# . . rr_1dfs 1 221 2 OR . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 8 PRO HA . . A . 8 PRO HB3 . . . 8 . HA . . . . . 8 . HB# . . rr_1dfs 1 222 1 OR . 1 1 8 8 PRO HA H . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 8 PRO HA . . A . 9 VAL MG1 . . . 8 . HA . . . . . 9 . HG# . . rr_1dfs 1 222 2 OR . 1 1 9 9 VAL MG2 H . . . 1 1 8 8 PRO HA H . . . . . 1.8 1.8 5.5 . . . . . A . 9 VAL MG2 . . A . 8 PRO HA . . . 9 . HG# . . . . . 8 . HA . . rr_1dfs 1 223 1 . . 1 1 9 9 VAL HB H . . . 1 1 8 8 PRO HA H . . . . . 1.8 1.8 5.0 . . . . . A . 9 VAL HB . . A . 8 PRO HA . . . 9 . HB# . . . . . 8 . HA . . rr_1dfs 1 224 1 . . 1 1 9 9 VAL HA H . . . 1 1 9 9 VAL HB H . . . . . 1.8 1.8 3.3 . . . . . A . 9 VAL HA . . A . 9 VAL HB . . . 9 . HA . . . . . 9 . HB . . rr_1dfs 1 225 1 OR . 1 1 9 9 VAL HA H . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 9 VAL HA . . A . 9 VAL MG1 . . . 9 . HA . . . . . 9 . HG# . . rr_1dfs 1 225 2 OR . 1 1 9 9 VAL HA H . . . 1 1 9 9 VAL MG2 H . . . . . 1.8 1.8 3.8 . . . . . A . 9 VAL HA . . A . 9 VAL MG2 . . . 9 . HA . . . . . 9 . HG# . . rr_1dfs 1 226 1 OR . 1 1 9 9 VAL MG2 H . . . 1 1 10 10 GLY HA2 H . . . . . 1.8 1.8 5.5 . . . . . A . 9 VAL MG2 . . A . 10 GLY HA2 . . . 9 . HG# . . . . . 10 . HA# . . rr_1dfs 1 226 2 OR . 1 1 9 9 VAL MG1 H . . . 1 1 10 10 GLY HA2 H . . . . . 1.8 1.8 5.5 . . . . . A . 9 VAL MG1 . . A . 10 GLY HA2 . . . 9 . HG# . . . . . 10 . HA# . . rr_1dfs 1 226 3 OR . 1 1 10 10 GLY HA3 H . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 10 GLY HA3 . . A . 9 VAL MG1 . . . 10 . HA# . . . . . 9 . HG# . . rr_1dfs 1 226 4 OR . 1 1 10 10 GLY HA3 H . . . 1 1 9 9 VAL MG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 10 GLY HA3 . . A . 9 VAL MG2 . . . 10 . HA# . . . . . 9 . HG# . . rr_1dfs 1 227 1 OR . 1 1 11 11 CYS HA H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 11 CYS HA . . A . 11 CYS HB2 . . . 11 . HA . . . . . 11 . HB# . . rr_1dfs 1 227 2 OR . 1 1 11 11 CYS HA H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 11 CYS HA . . A . 11 CYS HB3 . . . 11 . HA . . . . . 11 . HB# . . rr_1dfs 1 228 1 OR . 1 1 11 11 CYS HA H . . . 1 1 7 7 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS HA . . A . 7 CYS HB2 . . . 11 . HA . . . . . 7 . HB# . . rr_1dfs 1 228 2 OR . 1 1 11 11 CYS HA H . . . 1 1 7 7 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS HA . . A . 7 CYS HB3 . . . 11 . HA . . . . . 7 . HB# . . rr_1dfs 1 229 1 OR . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 12 SER HA . . A . 12 SER HB2 . . . 12 . HA . . . . . 12 . HB# . . rr_1dfs 1 229 2 OR . 1 1 12 12 SER HA H . . . 1 1 12 12 SER HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 12 SER HA . . A . 12 SER HB3 . . . 12 . HA . . . . . 12 . HB# . . rr_1dfs 1 230 1 OR . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 13 LYS HA . . A . 13 LYS HB2 . . . 13 . HA . . . . . 13 . HB# . . rr_1dfs 1 230 2 OR . 1 1 13 13 LYS HB3 H . . . 1 1 13 13 LYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 13 LYS HB3 . . A . 13 LYS HA . . . 13 . HB# . . . . . 13 . HA . . rr_1dfs 1 231 1 OR . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HG2 H . . . . . 1.8 1.8 3.3 . . . . . A . 13 LYS HA . . A . 13 LYS HG2 . . . 13 . HA . . . . . 13 . HG# . . rr_1dfs 1 231 2 OR . 1 1 13 13 LYS HG3 H . . . 1 1 13 13 LYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 13 LYS HG3 . . A . 13 LYS HA . . . 13 . HG# . . . . . 13 . HA . . rr_1dfs 1 232 1 OR . 1 1 14 14 CYS HA H . . . 1 1 14 14 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 14 CYS HA . . A . 14 CYS HB2 . . . 14 . HA . . . . . 14 . HB# . . rr_1dfs 1 232 2 OR . 1 1 14 14 CYS HA H . . . 1 1 14 14 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 14 CYS HA . . A . 14 CYS HB3 . . . 14 . HA . . . . . 14 . HB# . . rr_1dfs 1 233 1 OR . 1 1 14 14 CYS HA H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 14 CYS HA . . A . 11 CYS HB2 . . . 14 . HA . . . . . 11 . HB# . . rr_1dfs 1 233 2 OR . 1 1 11 11 CYS HB3 H . . . 1 1 14 14 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS HB3 . . A . 14 CYS HA . . . 11 . HB# . . . . . 14 . HA . . rr_1dfs 1 234 1 . . 1 1 15 15 ALA HA H . . . 1 1 15 15 ALA MB H . . . . . 1.8 1.8 3.3 . . . . . A . 15 ALA HA . . A . 15 ALA MB . . . 15 . HA . . . . . 15 . HB# . . rr_1dfs 1 235 1 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 16 GLN HA . . A . 16 GLN HB2 . . . 16 . HA . . . . . 16 . HB# . . rr_1dfs 1 235 2 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 16 GLN HA . . A . 16 GLN HB3 . . . 16 . HA . . . . . 16 . HB# . . rr_1dfs 1 236 1 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HG2 H . . . . . 1.8 1.8 3.3 . . . . . A . 16 GLN HA . . A . 16 GLN HG2 . . . 16 . HA . . . . . 16 . HG# . . rr_1dfs 1 236 2 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HG3 H . . . . . 1.8 1.8 3.3 . . . . . A . 16 GLN HA . . A . 16 GLN HG3 . . . 16 . HA . . . . . 16 . HG# . . rr_1dfs 1 237 1 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HE22 H . . . . . 1.8 1.8 5.0 . . . . . A . 16 GLN HA . . A . 16 GLN HE22 . . . 16 . HA . . . . . 16 . HE2# . . rr_1dfs 1 237 2 OR . 1 1 16 16 GLN HA H . . . 1 1 16 16 GLN HE21 H . . . . . 1.8 1.8 5.0 . . . . . A . 16 GLN HA . . A . 16 GLN HE21 . . . 16 . HA . . . . . 16 . HE2# . . rr_1dfs 1 238 1 OR . 1 1 18 18 CYS HA H . . . 1 1 18 18 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 18 CYS HA . . A . 18 CYS HB2 . . . 18 . HA . . . . . 18 . HB# . . rr_1dfs 1 238 2 OR . 1 1 18 18 CYS HA H . . . 1 1 18 18 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 18 CYS HA . . A . 18 CYS HB3 . . . 18 . HA . . . . . 18 . HB# . . rr_1dfs 1 239 1 OR . 1 1 18 18 CYS HA H . . . 1 1 14 14 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS HA . . A . 14 CYS HB2 . . . 18 . HA . . . . . 14 . HB# . . rr_1dfs 1 239 2 OR . 1 1 18 18 CYS HA H . . . 1 1 14 14 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS HA . . A . 14 CYS HB3 . . . 18 . HA . . . . . 14 . HB# . . rr_1dfs 1 240 1 . . 1 1 18 18 CYS HA H . . . 1 1 14 14 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 18 CYS HA . . A . 14 CYS HA . . . 18 . HA . . . . . 14 . HA . . rr_1dfs 1 241 1 OR . 1 1 18 18 CYS HA H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 18 CYS HA . . A . 19 VAL MG1 . . . 18 . HA . . . . . 19 . HG# . . rr_1dfs 1 241 2 OR . 1 1 18 18 CYS HA H . . . 1 1 19 19 VAL MG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 18 CYS HA . . A . 19 VAL MG2 . . . 18 . HA . . . . . 19 . HG# . . rr_1dfs 1 242 1 OR . 1 1 19 19 VAL HA H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 19 VAL HA . . A . 19 VAL MG1 . . . 19 . HA . . . . . 19 . HG# . . rr_1dfs 1 242 2 OR . 1 1 19 19 VAL HA H . . . 1 1 19 19 VAL MG2 H . . . . . 1.8 1.8 3.8 . . . . . A . 19 VAL HA . . A . 19 VAL MG2 . . . 19 . HA . . . . . 19 . HG# . . rr_1dfs 1 243 1 . . 1 1 19 19 VAL HA H . . . 1 1 19 19 VAL HB H . . . . . 1.8 1.8 2.7 . . . . . A . 19 VAL HA . . A . 19 VAL HB . . . 19 . HA . . . . . 19 . HB . . rr_1dfs 1 244 1 OR . 1 1 20 20 CYS HA H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 20 CYS HA . . A . 19 VAL MG1 . . . 20 . HA . . . . . 19 . HG# . . rr_1dfs 1 244 2 OR . 1 1 20 20 CYS HA H . . . 1 1 19 19 VAL MG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 20 CYS HA . . A . 19 VAL MG2 . . . 20 . HA . . . . . 19 . HG# . . rr_1dfs 1 245 1 OR . 1 1 20 20 CYS HA H . . . 1 1 20 20 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 20 CYS HA . . A . 20 CYS HB2 . . . 20 . HA . . . . . 20 . HB# . . rr_1dfs 1 245 2 OR . 1 1 20 20 CYS HA H . . . 1 1 20 20 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 20 CYS HA . . A . 20 CYS HB3 . . . 20 . HA . . . . . 20 . HB# . . rr_1dfs 1 246 1 OR . 1 1 21 21 LYS HA H . . . 1 1 21 21 LYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 21 LYS HA . . A . 21 LYS HB2 . . . 21 . HA . . . . . 21 . HB# . . rr_1dfs 1 246 2 OR . 1 1 21 21 LYS HB3 H . . . 1 1 21 21 LYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 21 LYS HB3 . . A . 21 LYS HA . . . 21 . HB# . . . . . 21 . HA . . rr_1dfs 1 247 1 . . 1 1 23 23 ALA HA H . . . 1 1 23 23 ALA MB H . . . . . 1.8 1.8 3.8 . . . . . A . 23 ALA HA . . A . 23 ALA MB . . . 23 . HA . . . . . 23 . HB# . . rr_1dfs 1 248 1 . . 1 1 24 24 ALA HA H . . . 1 1 24 24 ALA MB H . . . . . 1.8 1.8 5.5 . . . . . A . 24 ALA HA . . A . 24 ALA MB . . . 24 . HA . . . . . 24 . HB# . . rr_1dfs 1 249 1 OR . 1 1 25 25 ASP HA H . . . 1 1 25 25 ASP HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 25 ASP HA . . A . 25 ASP HB2 . . . 25 . HA . . . . . 25 . HB# . . rr_1dfs 1 249 2 OR . 1 1 25 25 ASP HA H . . . 1 1 25 25 ASP HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 25 ASP HA . . A . 25 ASP HB3 . . . 25 . HA . . . . . 25 . HB# . . rr_1dfs 1 250 1 OR . 1 1 26 26 LYS HA H . . . 1 1 26 26 LYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 26 LYS HA . . A . 26 LYS HB2 . . . 26 . HA . . . . . 26 . HB# . . rr_1dfs 1 250 2 OR . 1 1 26 26 LYS HA H . . . 1 1 26 26 LYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 26 LYS HA . . A . 26 LYS HB3 . . . 26 . HA . . . . . 26 . HB# . . rr_1dfs 1 251 1 OR . 1 1 26 26 LYS HA H . . . 1 1 6 6 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 26 LYS HA . . A . 6 CYS HB2 . . . 26 . HA . . . . . 6 . HB# . . rr_1dfs 1 251 2 OR . 1 1 26 26 LYS HA H . . . 1 1 6 6 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 26 LYS HA . . A . 6 CYS HB3 . . . 26 . HA . . . . . 6 . HB# . . rr_1dfs 1 252 1 OR . 1 1 27 27 CYS HA H . . . 1 1 27 27 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 27 CYS HA . . A . 27 CYS HB2 . . . 27 . HA . . . . . 27 . HB# . . rr_1dfs 1 252 2 OR . 1 1 27 27 CYS HA H . . . 1 1 27 27 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 27 CYS HA . . A . 27 CYS HB3 . . . 27 . HA . . . . . 27 . HB# . . rr_1dfs 1 253 1 OR . 1 1 27 27 CYS HA H . . . 1 1 6 6 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 27 CYS HA . . A . 6 CYS HB2 . . . 27 . HA . . . . . 6 . HB# . . rr_1dfs 1 253 2 OR . 1 1 27 27 CYS HA H . . . 1 1 6 6 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 27 CYS HA . . A . 6 CYS HB3 . . . 27 . HA . . . . . 6 . HB# . . rr_1dfs 1 254 1 OR . 1 1 27 27 CYS HA H . . . 1 1 28 28 THR MG H . . . . . 1.8 1.8 5.5 . . . . . A . 27 CYS HA . . A . 28 THR MG . . . 27 . HA . . . . . 28 . HG# . . rr_1dfs 1 254 2 OR . 1 1 27 27 CYS HA H . . . 1 1 28 28 THR HG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 27 CYS HA . . A . 28 THR HG1 . . . 27 . HA . . . . . 28 . HG# . . rr_1dfs 1 255 1 . . 1 1 28 28 THR HA H . . . 1 1 27 27 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 28 THR HA . . A . 27 CYS HA . . . 28 . HA . . . . . 27 . HA . . rr_1dfs 1 256 1 . . 1 1 28 28 THR HA H . . . 1 1 28 28 THR HB H . . . . . 1.8 1.8 3.3 . . . . . A . 28 THR HA . . A . 28 THR HB . . . 28 . HA . . . . . 28 . HB . . rr_1dfs 1 257 1 OR . 1 1 28 28 THR HA H . . . 1 1 28 28 THR MG H . . . . . 1.8 1.8 3.8 . . . . . A . 28 THR HA . . A . 28 THR MG . . . 28 . HA . . . . . 28 . HG# . . rr_1dfs 1 257 2 OR . 1 1 28 28 THR HA H . . . 1 1 28 28 THR HG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 28 THR HA . . A . 28 THR HG1 . . . 28 . HA . . . . . 28 . HG# . . rr_1dfs 1 258 1 . . 1 1 28 28 THR HA H . . . 1 1 31 31 ALA MB H . . . . . 1.8 1.8 5.5 . . . . . A . 28 THR HA . . A . 31 ALA MB . . . 28 . HA . . . . . 31 . HB# . . rr_1dfs 1 259 1 OR . 1 1 29 29 CYS HA H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 29 CYS HA . . A . 29 CYS HB2 . . . 29 . HA . . . . . 29 . HB# . . rr_1dfs 1 259 2 OR . 1 1 29 29 CYS HA H . . . 1 1 29 29 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 29 CYS HA . . A . 29 CYS HB3 . . . 29 . HA . . . . . 29 . HB# . . rr_1dfs 1 260 1 OR . 1 1 30 30 CYS HA H . . . 1 1 30 30 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 30 CYS HA . . A . 30 CYS HB2 . . . 30 . HA . . . . . 30 . HB# . . rr_1dfs 1 260 2 OR . 1 1 30 30 CYS HA H . . . 1 1 30 30 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 30 CYS HA . . A . 30 CYS HB3 . . . 30 . HA . . . . . 30 . HB# . . rr_1dfs 1 261 1 OR . 1 1 30 30 CYS HA H . . . 1 1 13 13 LYS HG2 H . . . . . 1.8 1.8 3.3 . . . . . A . 30 CYS HA . . A . 13 LYS HG2 . . . 30 . HA . . . . . 13 . HG# . . rr_1dfs 1 261 2 OR . 1 1 13 13 LYS HG3 H . . . 1 1 30 30 CYS HA H . . . . . 1.8 1.8 3.3 . . . . . A . 13 LYS HG3 . . A . 30 CYS HA . . . 13 . HG# . . . . . 30 . HA . . rr_1dfs 1 262 1 . . 1 1 31 31 ALA MB H . . . 1 1 31 31 ALA HA H . . . . . 1.8 1.8 3.8 . . . . . A . 31 ALA MB . . A . 31 ALA HA . . . 31 . HB# . . . . . 31 . HA . . rr_1dfs 1 263 1 OR . 1 1 6 6 CYS HB2 H . . . 1 1 27 27 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 6 CYS HB2 . . A . 27 CYS HB2 . . . 6 . HB# . . . . . 27 . HB# . . rr_1dfs 1 263 2 OR . 1 1 6 6 CYS HB3 H . . . 1 1 27 27 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 6 CYS HB3 . . A . 27 CYS HB2 . . . 6 . HB# . . . . . 27 . HB# . . rr_1dfs 1 263 3 OR . 1 1 27 27 CYS HB3 H . . . 1 1 6 6 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 27 CYS HB3 . . A . 6 CYS HB2 . . . 27 . HB# . . . . . 6 . HB# . . rr_1dfs 1 263 4 OR . 1 1 27 27 CYS HB3 H . . . 1 1 6 6 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 27 CYS HB3 . . A . 6 CYS HB3 . . . 27 . HB# . . . . . 6 . HB# . . rr_1dfs 1 264 1 OR . 1 1 6 6 CYS HB2 H . . . 1 1 7 7 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 6 CYS HB2 . . A . 7 CYS HB2 . . . 6 . HB# . . . . . 7 . HB# . . rr_1dfs 1 264 2 OR . 1 1 7 7 CYS HB3 H . . . 1 1 6 6 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 CYS HB3 . . A . 6 CYS HB2 . . . 7 . HB# . . . . . 6 . HB# . . rr_1dfs 1 264 3 OR . 1 1 6 6 CYS HB3 H . . . 1 1 7 7 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 6 CYS HB3 . . A . 7 CYS HB3 . . . 6 . HB# . . . . . 7 . HB# . . rr_1dfs 1 264 4 OR . 1 1 6 6 CYS HB3 H . . . 1 1 7 7 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 6 CYS HB3 . . A . 7 CYS HB2 . . . 6 . HB# . . . . . 7 . HB# . . rr_1dfs 1 265 1 OR . 1 1 8 8 PRO HD2 H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 8 PRO HD2 . . A . 11 CYS HB2 . . . 8 . HD# . . . . . 11 . HB# . . rr_1dfs 1 265 2 OR . 1 1 8 8 PRO HD3 H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 8 PRO HD3 . . A . 11 CYS HB2 . . . 8 . HD# . . . . . 11 . HB# . . rr_1dfs 1 265 3 OR . 1 1 11 11 CYS HB3 H . . . 1 1 8 8 PRO HD2 H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS HB3 . . A . 8 PRO HD2 . . . 11 . HB# . . . . . 8 . HD# . . rr_1dfs 1 265 4 OR . 1 1 11 11 CYS HB3 H . . . 1 1 8 8 PRO HD3 H . . . . . 1.8 1.8 5.0 . . . . . A . 11 CYS HB3 . . A . 8 PRO HD3 . . . 11 . HB# . . . . . 8 . HD# . . rr_1dfs 1 266 1 OR . 1 1 8 8 PRO HD3 H . . . 1 1 8 8 PRO HG2 H . . . . . 1.8 1.8 3.3 . . . . . A . 8 PRO HD3 . . A . 8 PRO HG2 . . . 8 . HD# . . . . . 8 . HG# . . rr_1dfs 1 266 2 OR . 1 1 8 8 PRO HD2 H . . . 1 1 8 8 PRO HG2 H . . . . . 1.8 1.8 3.3 . . . . . A . 8 PRO HD2 . . A . 8 PRO HG2 . . . 8 . HD# . . . . . 8 . HG# . . rr_1dfs 1 266 3 OR . 1 1 8 8 PRO HG3 H . . . 1 1 8 8 PRO HD2 H . . . . . 1.8 1.8 3.3 . . . . . A . 8 PRO HG3 . . A . 8 PRO HD2 . . . 8 . HG# . . . . . 8 . HD# . . rr_1dfs 1 266 4 OR . 1 1 8 8 PRO HD3 H . . . 1 1 8 8 PRO HG3 H . . . . . 1.8 1.8 3.3 . . . . . A . 8 PRO HD3 . . A . 8 PRO HG3 . . . 8 . HD# . . . . . 8 . HG# . . rr_1dfs 1 267 1 OR . 1 1 9 9 VAL HB H . . . 1 1 9 9 VAL MG1 H . . . . . 1.8 1.8 3.2 . . . . . A . 9 VAL HB . . A . 9 VAL MG1 . . . 9 . HB . . . . . 9 . HG# . . rr_1dfs 1 267 2 OR . 1 1 9 9 VAL HB H . . . 1 1 9 9 VAL MG2 H . . . . . 1.8 1.8 3.2 . . . . . A . 9 VAL HB . . A . 9 VAL MG2 . . . 9 . HB . . . . . 9 . HG# . . rr_1dfs 1 268 1 OR . 1 1 12 12 SER HB2 H . . . 1 1 13 13 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 12 SER HB2 . . A . 13 LYS HG2 . . . 12 . HB# . . . . . 13 . HG# . . rr_1dfs 1 268 2 OR . 1 1 12 12 SER HB3 H . . . 1 1 13 13 LYS HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 12 SER HB3 . . A . 13 LYS HG2 . . . 12 . HB# . . . . . 13 . HG# . . rr_1dfs 1 268 3 OR . 1 1 13 13 LYS HG3 H . . . 1 1 12 12 SER HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 13 LYS HG3 . . A . 12 SER HB2 . . . 13 . HG# . . . . . 12 . HB# . . rr_1dfs 1 268 4 OR . 1 1 12 12 SER HB3 H . . . 1 1 13 13 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 12 SER HB3 . . A . 13 LYS HG3 . . . 12 . HB# . . . . . 13 . HG# . . rr_1dfs 1 269 1 OR . 1 1 15 15 ALA MB H . . . 1 1 12 12 SER HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 15 ALA MB . . A . 12 SER HB2 . . . 15 . HB# . . . . . 12 . HB# . . rr_1dfs 1 269 2 OR . 1 1 12 12 SER HB3 H . . . 1 1 15 15 ALA MB H . . . . . 1.8 1.8 5.0 . . . . . A . 12 SER HB3 . . A . 15 ALA MB . . . 12 . HB# . . . . . 15 . HB# . . rr_1dfs 1 270 1 OR . 1 1 15 15 ALA MB H . . . 1 1 16 16 GLN HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 15 ALA MB . . A . 16 GLN HB2 . . . 15 . HB# . . . . . 16 . HB# . . rr_1dfs 1 270 2 OR . 1 1 16 16 GLN HB3 H . . . 1 1 15 15 ALA MB H . . . . . 1.8 1.8 5.0 . . . . . A . 16 GLN HB3 . . A . 15 ALA MB . . . 16 . HB# . . . . . 15 . HB# . . rr_1dfs 1 271 1 OR . 1 1 9 9 VAL HB H . . . 1 1 2 2 SER HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 VAL HB . . A . 2 SER HB2 . . . 9 . HB . . . . . 2 . HB# . . rr_1dfs 1 271 2 OR . 1 1 9 9 VAL HB H . . . 1 1 2 2 SER HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 VAL HB . . A . 2 SER HB3 . . . 9 . HB . . . . . 2 . HB# . . rr_1dfs 1 272 1 OR . 1 1 19 19 VAL HB H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 3.2 . . . . . A . 19 VAL HB . . A . 19 VAL MG1 . . . 19 . HB . . . . . 19 . HG# . . rr_1dfs 1 272 2 OR . 1 1 19 19 VAL MG2 H . . . 1 1 19 19 VAL HB H . . . . . 1.8 1.8 3.2 . . . . . A . 19 VAL MG2 . . A . 19 VAL HB . . . 19 . HG# . . . . . 19 . HB . . rr_1dfs 1 273 1 OR . 1 1 19 19 VAL MG1 H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 19 VAL MG1 . . A . 29 CYS HB2 . . . 19 . HG# . . . . . 29 . HB# . . rr_1dfs 1 273 2 OR . 1 1 29 29 CYS HB3 H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 29 CYS HB3 . . A . 19 VAL MG1 . . . 29 . HB# . . . . . 19 . HG# . . rr_1dfs 1 273 3 OR . 1 1 19 19 VAL MG2 H . . . 1 1 29 29 CYS HB3 H . . . . . 1.8 1.8 3.8 . . . . . A . 19 VAL MG2 . . A . 29 CYS HB3 . . . 19 . HG# . . . . . 29 . HB# . . rr_1dfs 1 273 4 OR . 1 1 19 19 VAL MG2 H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 19 VAL MG2 . . A . 29 CYS HB2 . . . 19 . HG# . . . . . 29 . HB# . . rr_1dfs 1 274 1 OR . 1 1 13 13 LYS HB2 H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 13 LYS HB2 . . A . 19 VAL MG1 . . . 13 . HB# . . . . . 19 . HG# . . rr_1dfs 1 274 2 OR . 1 1 13 13 LYS HB3 H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 3.8 . . . . . A . 13 LYS HB3 . . A . 19 VAL MG1 . . . 13 . HB# . . . . . 19 . HG# . . rr_1dfs 1 274 3 OR . 1 1 19 19 VAL MG2 H . . . 1 1 13 13 LYS HB2 H . . . . . 1.8 1.8 3.8 . . . . . A . 19 VAL MG2 . . A . 13 LYS HB2 . . . 19 . HG# . . . . . 13 . HB# . . rr_1dfs 1 274 4 OR . 1 1 13 13 LYS HB3 H . . . 1 1 19 19 VAL MG2 H . . . . . 1.8 1.8 3.8 . . . . . A . 13 LYS HB3 . . A . 19 VAL MG2 . . . 13 . HB# . . . . . 19 . HG# . . rr_1dfs 1 275 1 OR . 1 1 13 13 LYS HG2 H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 13 LYS HG2 . . A . 19 VAL MG1 . . . 13 . HG# . . . . . 19 . HG# . . rr_1dfs 1 275 2 OR . 1 1 19 19 VAL MG2 H . . . 1 1 13 13 LYS HG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 19 VAL MG2 . . A . 13 LYS HG2 . . . 19 . HG# . . . . . 13 . HG# . . rr_1dfs 1 275 3 OR . 1 1 13 13 LYS HG3 H . . . 1 1 19 19 VAL MG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 13 LYS HG3 . . A . 19 VAL MG2 . . . 13 . HG# . . . . . 19 . HG# . . rr_1dfs 1 275 4 OR . 1 1 13 13 LYS HG3 H . . . 1 1 19 19 VAL MG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 13 LYS HG3 . . A . 19 VAL MG1 . . . 13 . HG# . . . . . 19 . HG# . . rr_1dfs 1 276 1 OR . 1 1 7 7 CYS HB3 H . . . 1 1 8 8 PRO HD2 H . . . . . 1.8 1.8 3.3 . . . . . A . 7 CYS HB3 . . A . 8 PRO HD2 . . . 7 . HB# . . . . . 8 . HD# . . rr_1dfs 1 276 2 OR . 1 1 7 7 CYS HB2 H . . . 1 1 8 8 PRO HD2 H . . . . . 1.8 1.8 3.3 . . . . . A . 7 CYS HB2 . . A . 8 PRO HD2 . . . 7 . HB# . . . . . 8 . HD# . . rr_1dfs 1 276 3 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 CYS HB2 H . . . . . 1.8 1.8 3.3 . . . . . A . 8 PRO HD3 . . A . 7 CYS HB2 . . . 8 . HD# . . . . . 7 . HB# . . rr_1dfs 1 276 4 OR . 1 1 8 8 PRO HD3 H . . . 1 1 7 7 CYS HB3 H . . . . . 1.8 1.8 3.3 . . . . . A . 8 PRO HD3 . . A . 7 CYS HB3 . . . 8 . HD# . . . . . 7 . HB# . . rr_1dfs 1 277 1 OR . 1 1 16 16 GLN HE21 H . . . 1 1 16 16 GLN HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 16 GLN HE21 . . A . 16 GLN HG2 . . . 16 . HE2# . . . . . 16 . HG# . . rr_1dfs 1 277 2 OR . 1 1 16 16 GLN HG3 H . . . 1 1 16 16 GLN HE22 H . . . . . 1.8 1.8 5.0 . . . . . A . 16 GLN HG3 . . A . 16 GLN HE22 . . . 16 . HG# . . . . . 16 . HE2# . . rr_1dfs 1 277 3 OR . 1 1 16 16 GLN HG3 H . . . 1 1 16 16 GLN HE21 H . . . . . 1.8 1.8 5.0 . . . . . A . 16 GLN HG3 . . A . 16 GLN HE21 . . . 16 . HG# . . . . . 16 . HE2# . . rr_1dfs 1 277 4 OR . 1 1 16 16 GLN HE22 H . . . 1 1 16 16 GLN HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 16 GLN HE22 . . A . 16 GLN HG2 . . . 16 . HE2# . . . . . 16 . HG# . . rr_1dfs 1 278 1 OR . 1 1 28 28 THR HG1 H . . . 1 1 27 27 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 28 THR HG1 . . A . 27 CYS HB2 . . . 28 . HG# . . . . . 27 . HB# . . rr_1dfs 1 278 2 OR . 1 1 28 28 THR MG H . . . 1 1 27 27 CYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 28 THR MG . . A . 27 CYS HB2 . . . 28 . HG# . . . . . 27 . HB# . . rr_1dfs 1 278 3 OR . 1 1 27 27 CYS HB3 H . . . 1 1 28 28 THR MG H . . . . . 1.8 1.8 5.5 . . . . . A . 27 CYS HB3 . . A . 28 THR MG . . . 27 . HB# . . . . . 28 . HG# . . rr_1dfs 1 278 4 OR . 1 1 27 27 CYS HB3 H . . . 1 1 28 28 THR HG1 H . . . . . 1.8 1.8 5.5 . . . . . A . 27 CYS HB3 . . A . 28 THR HG1 . . . 27 . HB# . . . . . 28 . HG# . . rr_1dfs 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 ; strong: 1.8 0.0 0.9, medium: 1.8 0.0 1.5, weak: 1.8 0.0 3.2 NH(i)-NH(j) ; 1 1 2 14 rr_1dfs 1 2 NH(i)-any(j) 33 1 33 15 rr_1dfs 1 3 aH(i)-any(j) 206 1 206 15 rr_1dfs 1 4 sidechain(i)-sidechain(j) 267 1 267 28 rr_1dfs 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 rr_1dfs _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 METAL BINDING PROTEIN 20-NOV-99 1DFS *TITLE SOLUTION STRUCTURE OF THE ALPHA-DOMAIN OF MOUSE *ITLE 2 METALLOTHIONEIN-1 *OMPND MOL_ID: 1; *OMPND 2 MOLECULE: MOUSE [CD7]-METALLOTHIONEIN-1; *OMPND 3 CHAIN: A; *OMPND 4 FRAGMENT: C-TERMINAL DOMAIN (ALPHA); *OMPND 5 ENGINEERED: YES *OURCE MOL_ID: 1; *OURCE 2 ORGANISM_COMMON: MOUSE; *OURCE 3 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *OURCE 4 EXPRESSION_SYSTEM_COMMON: BACTERIA; *OURCE 5 EXPRESSION_SYSTEM_STRAIN: BL21; *OURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; *OURCE 7 EXPRESSION_SYSTEM_PLASMID: PET3D *KEYWDS 3-10 HELIX, CD-S CLUSTER, HALF TURN *EXPDTA NMR *AUTHOR K.ZANGGER, G.OZ, J.D.OTVOS, I.M.ARMITAGE *REVDAT 1 01-DEC-99 1DFS 0' save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_framecode MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1dfs _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment 'set message=on echo=on end' save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_framecode MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1dfs _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; ! zkmmtnoe.tbl ! for C-terminal domain (alpha-domain) of mouse MT1 set message=off echo=off end ; save_