data_Remediated_restraints_file_for_PDB_entry_1bor # This BMRB archive file contains, for PDB entry 1bor: # # - 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_1bor _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1bor' _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 1bor' _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 1bor 'Master copy' rr_1bor stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1bor _Assembly.ID 1 _Assembly.Name 1bor _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 2 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 6219.7272 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 'TRANSCRIPTION FACTOR PML' 1 $TRANSCRIPTION_FACTOR_PML A . no . . . . . . rr_1bor 1 2 'ZINC ION' 2 $ZINC_ION B . no . . . . . . rr_1bor 1 3 'ZINC ION' 2 $ZINC_ION C . no . . . . . . rr_1bor 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRANSCRIPTION_FACTOR_PML _Entity.Sf_category entity _Entity.Sf_framecode TRANSCRIPTION_FACTOR_PML _Entity.Entry_ID rr_1bor _Entity.ID 1 _Entity.Name TRANSCRIPTION_FACTOR_PML _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; EEEFQFLRCQQCQAEAKCPK LLPCLHTLCSGCLEASGMQC PICQAPWPLGADTPAL ; _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 56 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 6088.9672 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 . GLU . rr_1bor 1 2 . GLU . rr_1bor 1 3 . GLU . rr_1bor 1 4 . PHE . rr_1bor 1 5 . GLN . rr_1bor 1 6 . PHE . rr_1bor 1 7 . LEU . rr_1bor 1 8 . ARG . rr_1bor 1 9 . CYS . rr_1bor 1 10 . GLN . rr_1bor 1 11 . GLN . rr_1bor 1 12 . CYS . rr_1bor 1 13 . GLN . rr_1bor 1 14 . ALA . rr_1bor 1 15 . GLU . rr_1bor 1 16 . ALA . rr_1bor 1 17 . LYS . rr_1bor 1 18 . CYS . rr_1bor 1 19 . PRO . rr_1bor 1 20 . LYS . rr_1bor 1 21 . LEU . rr_1bor 1 22 . LEU . rr_1bor 1 23 . PRO . rr_1bor 1 24 . CYS . rr_1bor 1 25 . LEU . rr_1bor 1 26 . HIS . rr_1bor 1 27 . THR . rr_1bor 1 28 . LEU . rr_1bor 1 29 . CYS . rr_1bor 1 30 . SER . rr_1bor 1 31 . GLY . rr_1bor 1 32 . CYS . rr_1bor 1 33 . LEU . rr_1bor 1 34 . GLU . rr_1bor 1 35 . ALA . rr_1bor 1 36 . SER . rr_1bor 1 37 . GLY . rr_1bor 1 38 . MET . rr_1bor 1 39 . GLN . rr_1bor 1 40 . CYS . rr_1bor 1 41 . PRO . rr_1bor 1 42 . ILE . rr_1bor 1 43 . CYS . rr_1bor 1 44 . GLN . rr_1bor 1 45 . ALA . rr_1bor 1 46 . PRO . rr_1bor 1 47 . TRP . rr_1bor 1 48 . PRO . rr_1bor 1 49 . LEU . rr_1bor 1 50 . GLY . rr_1bor 1 51 . ALA . rr_1bor 1 52 . ASP . rr_1bor 1 53 . THR . rr_1bor 1 54 . PRO . rr_1bor 1 55 . ALA . rr_1bor 1 56 . LEU . rr_1bor 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 . GLU 1 1 rr_1bor 1 . GLU 2 2 rr_1bor 1 . GLU 3 3 rr_1bor 1 . PHE 4 4 rr_1bor 1 . GLN 5 5 rr_1bor 1 . PHE 6 6 rr_1bor 1 . LEU 7 7 rr_1bor 1 . ARG 8 8 rr_1bor 1 . CYS 9 9 rr_1bor 1 . GLN 10 10 rr_1bor 1 . GLN 11 11 rr_1bor 1 . CYS 12 12 rr_1bor 1 . GLN 13 13 rr_1bor 1 . ALA 14 14 rr_1bor 1 . GLU 15 15 rr_1bor 1 . ALA 16 16 rr_1bor 1 . LYS 17 17 rr_1bor 1 . CYS 18 18 rr_1bor 1 . PRO 19 19 rr_1bor 1 . LYS 20 20 rr_1bor 1 . LEU 21 21 rr_1bor 1 . LEU 22 22 rr_1bor 1 . PRO 23 23 rr_1bor 1 . CYS 24 24 rr_1bor 1 . LEU 25 25 rr_1bor 1 . HIS 26 26 rr_1bor 1 . THR 27 27 rr_1bor 1 . LEU 28 28 rr_1bor 1 . CYS 29 29 rr_1bor 1 . SER 30 30 rr_1bor 1 . GLY 31 31 rr_1bor 1 . CYS 32 32 rr_1bor 1 . LEU 33 33 rr_1bor 1 . GLU 34 34 rr_1bor 1 . ALA 35 35 rr_1bor 1 . SER 36 36 rr_1bor 1 . GLY 37 37 rr_1bor 1 . MET 38 38 rr_1bor 1 . GLN 39 39 rr_1bor 1 . CYS 40 40 rr_1bor 1 . PRO 41 41 rr_1bor 1 . ILE 42 42 rr_1bor 1 . CYS 43 43 rr_1bor 1 . GLN 44 44 rr_1bor 1 . ALA 45 45 rr_1bor 1 . PRO 46 46 rr_1bor 1 . TRP 47 47 rr_1bor 1 . PRO 48 48 rr_1bor 1 . LEU 49 49 rr_1bor 1 . GLY 50 50 rr_1bor 1 . ALA 51 51 rr_1bor 1 . ASP 52 52 rr_1bor 1 . THR 53 53 rr_1bor 1 . PRO 54 54 rr_1bor 1 . ALA 55 55 rr_1bor 1 . LEU 56 56 rr_1bor 1 stop_ save_ save_ZINC_ION _Entity.Sf_category entity _Entity.Sf_framecode ZINC_ION _Entity.Entry_ID rr_1bor _Entity.ID 2 _Entity.Name ZINC_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 ZN _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 . ZN . rr_1bor 2 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID rr_1bor _Chem_comp.ID ZN _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.PDB_code ZN _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.38 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_1bor _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_1bor _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_1bor 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_1bor 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 GLU C C 3.393 0.874 13.941 . . . 1.0 . . . . . . . . . . . . A . 1 GLU C . . . . . . . . . rr_1bor 1 . 1 . 2 . 1 1 1 GLU CA C 4.408 -0.192 14.358 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CA . . . . . . . . . rr_1bor 1 . 1 . 3 . 1 1 1 GLU CB C 5.287 0.354 15.486 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CB . . . . . . . . . rr_1bor 1 . 1 . 4 . 1 1 1 GLU CD C 5.136 -1.005 17.578 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CD . . . . . . . . . rr_1bor 1 . 1 . 5 . 1 1 1 GLU CG C 4.560 0.194 16.823 . . . 1.0 . . . . . . . . . . . . A . 1 GLU CG . . . . . . . . . rr_1bor 1 . 1 . 6 . 1 1 1 GLU N N 5.264 -0.548 13.190 . . . 1.0 . . . . . . . . . . . . A . 1 GLU N . . . . . . . . . rr_1bor 1 . 1 . 7 . 1 1 1 GLU O O 2.249 0.849 14.349 . . . 1.0 . . . . . . . . . . . . A . 1 GLU O . . . . . . . . . rr_1bor 1 . 1 . 8 . 1 1 1 GLU OE1 O 5.921 -1.729 16.989 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE1 . . . . . . . . . rr_1bor 1 . 1 . 9 . 1 1 1 GLU OE2 O 4.782 -1.178 18.733 . . . 1.0 . . . . . . . . . . . . A . 1 GLU OE2 . . . . . . . . . rr_1bor 1 . 1 . 10 . 1 1 2 GLU C C 2.816 2.913 11.159 . . . 1.0 . . . . . . . . . . . . A . 2 GLU C . . . . . . . . . rr_1bor 1 . 1 . 11 . 1 1 2 GLU CA C 2.861 2.875 12.687 . . . 1.0 . . . . . . . . . . . . A . 2 GLU CA . . . . . . . . . rr_1bor 1 . 1 . 12 . 1 1 2 GLU CB C 3.335 4.229 13.217 . . . 1.0 . . . . . . . . . . . . A . 2 GLU CB . . . . . . . . . rr_1bor 1 . 1 . 13 . 1 1 2 GLU CD C 2.063 4.857 15.272 . . . 1.0 . . . . . . . . . . . . A . 2 GLU CD . . . . . . . . . rr_1bor 1 . 1 . 14 . 1 1 2 GLU CG C 3.341 4.203 14.746 . . . 1.0 . . . . . . . . . . . . A . 2 GLU CG . . . . . . . . . rr_1bor 1 . 1 . 15 . 1 1 2 GLU N N 3.803 1.810 13.130 . . . 1.0 . . . . . . . . . . . . A . 2 GLU N . . . . . . . . . rr_1bor 1 . 1 . 16 . 1 1 2 GLU O O 3.768 2.560 10.491 . . . 1.0 . . . . . . . . . . . . A . 2 GLU O . . . . . . . . . rr_1bor 1 . 1 . 17 . 1 1 2 GLU OE1 O 1.157 5.062 14.481 . . . 1.0 . . . . . . . . . . . . A . 2 GLU OE1 . . . . . . . . . rr_1bor 1 . 1 . 18 . 1 1 2 GLU OE2 O 2.011 5.142 16.458 . . . 1.0 . . . . . . . . . . . . A . 2 GLU OE2 . . . . . . . . . rr_1bor 1 . 1 . 19 . 1 1 3 GLU C C 1.815 1.994 8.536 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_1bor 1 . 1 . 20 . 1 1 3 GLU CA C 1.613 3.396 9.116 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_1bor 1 . 1 . 21 . 1 1 3 GLU CB C 2.684 4.341 8.569 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_1bor 1 . 1 . 22 . 1 1 3 GLU CD C 2.845 6.043 10.389 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_1bor 1 . 1 . 23 . 1 1 3 GLU CG C 2.347 5.779 8.967 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_1bor 1 . 1 . 24 . 1 1 3 GLU N N 1.717 3.337 10.600 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_1bor 1 . 1 . 25 . 1 1 3 GLU O O 0.887 1.215 8.447 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_1bor 1 . 1 . 26 . 1 1 3 GLU OE1 O 3.811 5.412 10.784 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_1bor 1 . 1 . 27 . 1 1 3 GLU OE2 O 2.250 6.871 11.060 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_1bor 1 . 1 . 28 . 1 1 4 PHE C C 2.530 -0.737 8.401 . . . 1.0 . . . . . . . . . . . . A . 4 PHE C . . . . . . . . . rr_1bor 1 . 1 . 29 . 1 1 4 PHE CA C 3.270 0.311 7.570 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CA . . . . . . . . . rr_1bor 1 . 1 . 30 . 1 1 4 PHE CB C 4.772 0.012 7.599 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CB . . . . . . . . . rr_1bor 1 . 1 . 31 . 1 1 4 PHE CD1 C 4.292 -2.096 6.300 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CD1 . . . . . . . . . rr_1bor 1 . 1 . 32 . 1 1 4 PHE CD2 C 5.908 -2.182 8.107 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CD2 . . . . . . . . . rr_1bor 1 . 1 . 33 . 1 1 4 PHE CE1 C 4.497 -3.459 6.052 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CE1 . . . . . . . . . rr_1bor 1 . 1 . 34 . 1 1 4 PHE CE2 C 6.112 -3.545 7.858 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CE2 . . . . . . . . . rr_1bor 1 . 1 . 35 . 1 1 4 PHE CG C 4.998 -1.458 7.327 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CG . . . . . . . . . rr_1bor 1 . 1 . 36 . 1 1 4 PHE CZ C 5.406 -4.183 6.831 . . . 1.0 . . . . . . . . . . . . A . 4 PHE CZ . . . . . . . . . rr_1bor 1 . 1 . 37 . 1 1 4 PHE N N 3.018 1.665 8.142 . . . 1.0 . . . . . . . . . . . . A . 4 PHE N . . . . . . . . . rr_1bor 1 . 1 . 38 . 1 1 4 PHE O O 2.820 -0.938 9.563 . . . 1.0 . . . . . . . . . . . . A . 4 PHE O . . . . . . . . . rr_1bor 1 . 1 . 39 . 1 1 5 GLN C C 0.186 -3.451 7.640 . . . 1.0 . . . . . . . . . . . . A . 5 GLN C . . . . . . . . . rr_1bor 1 . 1 . 40 . 1 1 5 GLN CA C 0.824 -2.434 8.589 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CA . . . . . . . . . rr_1bor 1 . 1 . 41 . 1 1 5 GLN CB C -0.272 -1.754 9.412 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CB . . . . . . . . . rr_1bor 1 . 1 . 42 . 1 1 5 GLN CD C -2.140 -2.255 10.995 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CD . . . . . . . . . rr_1bor 1 . 1 . 43 . 1 1 5 GLN CG C -0.773 -2.719 10.488 . . . 1.0 . . . . . . . . . . . . A . 5 GLN CG . . . . . . . . . rr_1bor 1 . 1 . 44 . 1 1 5 GLN N N 1.574 -1.406 7.819 . . . 1.0 . . . . . . . . . . . . A . 5 GLN N . . . . . . . . . rr_1bor 1 . 1 . 45 . 1 1 5 GLN NE2 N -2.517 -2.576 12.203 . . . 1.0 . . . . . . . . . . . . A . 5 GLN NE2 . . . . . . . . . rr_1bor 1 . 1 . 46 . 1 1 5 GLN O O -0.686 -4.202 8.030 . . . 1.0 . . . . . . . . . . . . A . 5 GLN O . . . . . . . . . rr_1bor 1 . 1 . 47 . 1 1 5 GLN OE1 O -2.873 -1.594 10.286 . . . 1.0 . . . . . . . . . . . . A . 5 GLN OE1 . . . . . . . . . rr_1bor 1 . 1 . 48 . 1 1 6 PHE C C 0.994 -4.924 4.403 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_1bor 1 . 1 . 49 . 1 1 6 PHE CA C 0.001 -4.501 5.479 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_1bor 1 . 1 . 50 . 1 1 6 PHE CB C -1.246 -3.932 4.809 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_1bor 1 . 1 . 51 . 1 1 6 PHE CD1 C -2.597 -5.692 5.986 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_1bor 1 . 1 . 52 . 1 1 6 PHE CD2 C -2.995 -5.325 3.623 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_1bor 1 . 1 . 53 . 1 1 6 PHE CE1 C -3.572 -6.694 5.999 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_1bor 1 . 1 . 54 . 1 1 6 PHE CE2 C -3.973 -6.331 3.637 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_1bor 1 . 1 . 55 . 1 1 6 PHE CG C -2.307 -5.007 4.800 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_1bor 1 . 1 . 56 . 1 1 6 PHE CZ C -4.260 -7.014 4.825 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_1bor 1 . 1 . 57 . 1 1 6 PHE N N 0.608 -3.504 6.403 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_1bor 1 . 1 . 58 . 1 1 6 PHE O O 2.056 -4.352 4.251 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_1bor 1 . 1 . 59 . 1 1 7 LEU C C 0.724 -7.250 1.588 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_1bor 1 . 1 . 60 . 1 1 7 LEU CA C 1.547 -6.423 2.578 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_1bor 1 . 1 . 61 . 1 1 7 LEU CB C 2.625 -7.311 3.197 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_1bor 1 . 1 . 62 . 1 1 7 LEU CD1 C 2.688 -9.623 4.147 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_1bor 1 . 1 . 63 . 1 1 7 LEU CD2 C 2.052 -7.690 5.597 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_1bor 1 . 1 . 64 . 1 1 7 LEU CG C 1.968 -8.275 4.186 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_1bor 1 . 1 . 65 . 1 1 7 LEU N N 0.645 -5.934 3.654 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_1bor 1 . 1 . 66 . 1 1 7 LEU O O 1.245 -8.095 0.886 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_1bor 1 . 1 . 67 . 1 1 8 ARG C C -2.243 -6.851 -0.261 . . . 1.0 . . . . . . . . . . . . A . 8 ARG C . . . . . . . . . rr_1bor 1 . 1 . 68 . 1 1 8 ARG CA C -1.418 -7.803 0.603 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CA . . . . . . . . . rr_1bor 1 . 1 . 69 . 1 1 8 ARG CB C -2.350 -8.711 1.410 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CB . . . . . . . . . rr_1bor 1 . 1 . 70 . 1 1 8 ARG CD C -2.305 -10.745 2.865 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CD . . . . . . . . . rr_1bor 1 . 1 . 71 . 1 1 8 ARG CG C -1.530 -9.498 2.435 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CG . . . . . . . . . rr_1bor 1 . 1 . 72 . 1 1 8 ARG CZ C -1.648 -11.882 4.900 . . . 1.0 . . . . . . . . . . . . A . 8 ARG CZ . . . . . . . . . rr_1bor 1 . 1 . 73 . 1 1 8 ARG N N -0.561 -7.022 1.535 . . . 1.0 . . . . . . . . . . . . A . 8 ARG N . . . . . . . . . rr_1bor 1 . 1 . 74 . 1 1 8 ARG NE N -2.260 -10.870 4.349 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NE . . . . . . . . . rr_1bor 1 . 1 . 75 . 1 1 8 ARG NH1 N -0.574 -12.375 4.348 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH1 . . . . . . . . . rr_1bor 1 . 1 . 76 . 1 1 8 ARG NH2 N -2.111 -12.401 6.005 . . . 1.0 . . . . . . . . . . . . A . 8 ARG NH2 . . . . . . . . . rr_1bor 1 . 1 . 77 . 1 1 8 ARG O O -1.955 -6.646 -1.423 . . . 1.0 . . . . . . . . . . . . A . 8 ARG O . . . . . . . . . rr_1bor 1 . 1 . 78 . 1 1 9 CYS C C -5.203 -4.737 0.386 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_1bor 1 . 1 . 79 . 1 1 9 CYS CA C -4.101 -5.324 -0.501 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_1bor 1 . 1 . 80 . 1 1 9 CYS CB C -4.702 -6.075 -1.714 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_1bor 1 . 1 . 81 . 1 1 9 CYS N N -3.266 -6.263 0.295 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_1bor 1 . 1 . 82 . 1 1 9 CYS O O -5.498 -5.238 1.454 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_1bor 1 . 1 . 83 . 1 1 9 CYS SG S -6.431 -5.579 -2.001 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_1bor 1 . 1 . 84 . 1 1 10 GLN C C -8.070 -4.077 0.850 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . rr_1bor 1 . 1 . 85 . 1 1 10 GLN CA C -6.924 -3.068 0.705 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . rr_1bor 1 . 1 . 86 . 1 1 10 GLN CB C -7.441 -1.840 -0.036 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . rr_1bor 1 . 1 . 87 . 1 1 10 GLN CD C -9.685 -0.751 -0.163 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . rr_1bor 1 . 1 . 88 . 1 1 10 GLN CG C -8.561 -1.188 0.777 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . rr_1bor 1 . 1 . 89 . 1 1 10 GLN N N -5.826 -3.686 -0.073 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . rr_1bor 1 . 1 . 90 . 1 1 10 GLN NE2 N -10.155 0.463 -0.079 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . rr_1bor 1 . 1 . 91 . 1 1 10 GLN O O -8.398 -4.513 1.936 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . rr_1bor 1 . 1 . 92 . 1 1 10 GLN OE1 O -10.141 -1.523 -0.984 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . rr_1bor 1 . 1 . 93 . 1 1 11 GLN C C -9.385 -6.768 -0.782 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . rr_1bor 1 . 1 . 94 . 1 1 11 GLN CA C -9.819 -5.417 -0.194 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . rr_1bor 1 . 1 . 95 . 1 1 11 GLN CB C -11.000 -4.869 -0.998 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . rr_1bor 1 . 1 . 96 . 1 1 11 GLN CD C -12.908 -5.969 0.183 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . rr_1bor 1 . 1 . 97 . 1 1 11 GLN CG C -12.192 -4.640 -0.068 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . rr_1bor 1 . 1 . 98 . 1 1 11 GLN N N -8.685 -4.443 -0.249 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . rr_1bor 1 . 1 . 99 . 1 1 11 GLN NE2 N -12.424 -6.801 1.065 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . rr_1bor 1 . 1 . 100 . 1 1 11 GLN O O -9.464 -7.789 -0.127 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . rr_1bor 1 . 1 . 101 . 1 1 11 GLN OE1 O -13.919 -6.253 -0.428 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . rr_1bor 1 . 1 . 102 . 1 1 12 CYS C C -7.080 -8.449 -2.069 . . . 1.0 . . . . . . . . . . . . A . 12 CYS C . . . . . . . . . rr_1bor 1 . 1 . 103 . 1 1 12 CYS CA C -8.472 -8.086 -2.609 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CA . . . . . . . . . rr_1bor 1 . 1 . 104 . 1 1 12 CYS CB C -8.398 -8.033 -4.160 . . . 1.0 . . . . . . . . . . . . A . 12 CYS CB . . . . . . . . . rr_1bor 1 . 1 . 105 . 1 1 12 CYS N N -8.918 -6.785 -2.005 . . . 1.0 . . . . . . . . . . . . A . 12 CYS N . . . . . . . . . rr_1bor 1 . 1 . 106 . 1 1 12 CYS O O -6.084 -8.283 -2.744 . . . 1.0 . . . . . . . . . . . . A . 12 CYS O . . . . . . . . . rr_1bor 1 . 1 . 107 . 1 1 12 CYS SG S -8.633 -6.357 -4.839 . . . 1.0 . . . . . . . . . . . . A . 12 CYS SG . . . . . . . . . rr_1bor 1 . 1 . 108 . 1 1 13 GLN C C -5.254 -10.701 -0.741 . . . 1.0 . . . . . . . . . . . . A . 13 GLN C . . . . . . . . . rr_1bor 1 . 1 . 109 . 1 1 13 GLN CA C -5.663 -9.299 -0.283 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CA . . . . . . . . . rr_1bor 1 . 1 . 110 . 1 1 13 GLN CB C -5.712 -9.250 1.249 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CB . . . . . . . . . rr_1bor 1 . 1 . 111 . 1 1 13 GLN CD C -7.675 -9.328 2.793 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CD . . . . . . . . . rr_1bor 1 . 1 . 112 . 1 1 13 GLN CG C -6.865 -10.116 1.761 . . . 1.0 . . . . . . . . . . . . A . 13 GLN CG . . . . . . . . . rr_1bor 1 . 1 . 113 . 1 1 13 GLN N N -6.998 -8.937 -0.854 . . . 1.0 . . . . . . . . . . . . A . 13 GLN N . . . . . . . . . rr_1bor 1 . 1 . 114 . 1 1 13 GLN NE2 N -8.215 -9.958 3.800 . . . 1.0 . . . . . . . . . . . . A . 13 GLN NE2 . . . . . . . . . rr_1bor 1 . 1 . 115 . 1 1 13 GLN O O -5.728 -11.699 -0.235 . . . 1.0 . . . . . . . . . . . . A . 13 GLN O . . . . . . . . . rr_1bor 1 . 1 . 116 . 1 1 13 GLN OE1 O -7.817 -8.127 2.682 . . . 1.0 . . . . . . . . . . . . A . 13 GLN OE1 . . . . . . . . . rr_1bor 1 . 1 . 117 . 1 1 14 ALA C C -2.366 -12.141 -2.116 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1bor 1 . 1 . 118 . 1 1 14 ALA CA C -3.894 -12.098 -2.193 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1bor 1 . 1 . 119 . 1 1 14 ALA CB C -4.334 -12.283 -3.646 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1bor 1 . 1 . 120 . 1 1 14 ALA N N -4.362 -10.774 -1.693 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1bor 1 . 1 . 121 . 1 1 14 ALA O O -1.791 -12.920 -1.382 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1bor 1 . 1 . 122 . 1 1 15 GLU C C 0.270 -9.852 -3.132 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . rr_1bor 1 . 1 . 123 . 1 1 15 GLU CA C -0.215 -11.272 -2.830 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . rr_1bor 1 . 1 . 124 . 1 1 15 GLU CB C 0.341 -12.235 -3.882 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . rr_1bor 1 . 1 . 125 . 1 1 15 GLU CD C 2.366 -13.522 -4.584 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . rr_1bor 1 . 1 . 126 . 1 1 15 GLU CG C 1.731 -12.710 -3.453 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . rr_1bor 1 . 1 . 127 . 1 1 15 GLU N N -1.704 -11.297 -2.864 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . rr_1bor 1 . 1 . 128 . 1 1 15 GLU O O 0.566 -9.521 -4.262 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . rr_1bor 1 . 1 . 129 . 1 1 15 GLU OE1 O 1.836 -14.574 -4.902 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . rr_1bor 1 . 1 . 130 . 1 1 15 GLU OE2 O 3.372 -13.078 -5.112 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . rr_1bor 1 . 1 . 131 . 1 1 16 ALA C C 0.660 -7.121 -3.713 . . . 1.0 . . . . . . . . . . . . A . 16 ALA C . . . . . . . . . rr_1bor 1 . 1 . 132 . 1 1 16 ALA CA C 0.818 -7.606 -2.263 . . . 1.0 . . . . . . . . . . . . A . 16 ALA CA . . . . . . . . . rr_1bor 1 . 1 . 133 . 1 1 16 ALA CB C 2.293 -7.518 -1.867 . . . 1.0 . . . . . . . . . . . . A . 16 ALA CB . . . . . . . . . rr_1bor 1 . 1 . 134 . 1 1 16 ALA N N 0.353 -9.029 -2.111 . . . 1.0 . . . . . . . . . . . . A . 16 ALA N . . . . . . . . . rr_1bor 1 . 1 . 135 . 1 1 16 ALA O O 1.481 -7.409 -4.561 . . . 1.0 . . . . . . . . . . . . A . 16 ALA O . . . . . . . . . rr_1bor 1 . 1 . 136 . 1 1 17 LYS C C -0.071 -4.455 -5.523 . . . 1.0 . . . . . . . . . . . . A . 17 LYS C . . . . . . . . . rr_1bor 1 . 1 . 137 . 1 1 17 LYS CA C -0.571 -5.896 -5.407 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CA . . . . . . . . . rr_1bor 1 . 1 . 138 . 1 1 17 LYS CB C -2.056 -5.953 -5.773 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CB . . . . . . . . . rr_1bor 1 . 1 . 139 . 1 1 17 LYS CD C -3.388 -7.635 -7.055 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CD . . . . . . . . . rr_1bor 1 . 1 . 140 . 1 1 17 LYS CE C -3.287 -8.630 -8.213 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CE . . . . . . . . . rr_1bor 1 . 1 . 141 . 1 1 17 LYS CG C -2.220 -6.649 -7.125 . . . 1.0 . . . . . . . . . . . . A . 17 LYS CG . . . . . . . . . rr_1bor 1 . 1 . 142 . 1 1 17 LYS N N -0.381 -6.388 -4.008 . . . 1.0 . . . . . . . . . . . . A . 17 LYS N . . . . . . . . . rr_1bor 1 . 1 . 143 . 1 1 17 LYS NZ N -4.410 -8.402 -9.166 . . . 1.0 . . . . . . . . . . . . A . 17 LYS NZ . . . . . . . . . rr_1bor 1 . 1 . 144 . 1 1 17 LYS O O -0.030 -3.890 -6.597 . . . 1.0 . . . . . . . . . . . . A . 17 LYS O . . . . . . . . . rr_1bor 1 . 1 . 145 . 1 1 18 CYS C C 2.275 -2.406 -4.068 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . rr_1bor 1 . 1 . 146 . 1 1 18 CYS CA C 0.797 -2.451 -4.487 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . rr_1bor 1 . 1 . 147 . 1 1 18 CYS CB C -0.039 -1.597 -3.528 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . rr_1bor 1 . 1 . 148 . 1 1 18 CYS N N 0.305 -3.855 -4.430 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . rr_1bor 1 . 1 . 149 . 1 1 18 CYS O O 2.591 -2.614 -2.915 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . rr_1bor 1 . 1 . 150 . 1 1 18 CYS SG S 0.824 -0.051 -3.138 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . rr_1bor 1 . 1 . 151 . 1 1 19 PRO C C 4.901 -0.622 -4.201 . . . 1.0 . . . . . . . . . . . . A . 19 PRO C . . . . . . . . . rr_1bor 1 . 1 . 152 . 1 1 19 PRO CA C 4.578 -2.015 -4.754 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CA . . . . . . . . . rr_1bor 1 . 1 . 153 . 1 1 19 PRO CB C 5.200 -2.195 -6.142 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CB . . . . . . . . . rr_1bor 1 . 1 . 154 . 1 1 19 PRO CD C 2.758 -1.880 -6.414 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CD . . . . . . . . . rr_1bor 1 . 1 . 155 . 1 1 19 PRO CG C 4.102 -1.810 -7.162 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CG . . . . . . . . . rr_1bor 1 . 1 . 156 . 1 1 19 PRO N N 3.135 -2.118 -5.010 . . . 1.0 . . . . . . . . . . . . A . 19 PRO N . . . . . . . . . rr_1bor 1 . 1 . 157 . 1 1 19 PRO O O 6.032 -0.314 -3.885 . . . 1.0 . . . . . . . . . . . . A . 19 PRO O . . . . . . . . . rr_1bor 1 . 1 . 158 . 1 1 20 LYS C C 4.996 1.565 -2.315 . . . 1.0 . . . . . . . . . . . . A . 20 LYS C . . . . . . . . . rr_1bor 1 . 1 . 159 . 1 1 20 LYS CA C 4.153 1.605 -3.592 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CA . . . . . . . . . rr_1bor 1 . 1 . 160 . 1 1 20 LYS CB C 2.820 2.297 -3.300 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CB . . . . . . . . . rr_1bor 1 . 1 . 161 . 1 1 20 LYS CD C 1.797 4.463 -2.555 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CD . . . . . . . . . rr_1bor 1 . 1 . 162 . 1 1 20 LYS CE C 2.086 5.465 -1.437 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CE . . . . . . . . . rr_1bor 1 . 1 . 163 . 1 1 20 LYS CG C 3.096 3.757 -2.951 . . . 1.0 . . . . . . . . . . . . A . 20 LYS CG . . . . . . . . . rr_1bor 1 . 1 . 164 . 1 1 20 LYS N N 3.911 0.227 -4.101 . . . 1.0 . . . . . . . . . . . . A . 20 LYS N . . . . . . . . . rr_1bor 1 . 1 . 165 . 1 1 20 LYS NZ N 0.989 6.469 -1.371 . . . 1.0 . . . . . . . . . . . . A . 20 LYS NZ . . . . . . . . . rr_1bor 1 . 1 . 166 . 1 1 20 LYS O O 5.011 0.590 -1.589 . . . 1.0 . . . . . . . . . . . . A . 20 LYS O . . . . . . . . . rr_1bor 1 . 1 . 167 . 1 1 21 LEU C C 5.896 2.027 0.358 . . . 1.0 . . . . . . . . . . . . A . 21 LEU C . . . . . . . . . rr_1bor 1 . 1 . 168 . 1 1 21 LEU CA C 6.577 2.695 -0.841 . . . 1.0 . . . . . . . . . . . . A . 21 LEU CA . . . . . . . . . rr_1bor 1 . 1 . 169 . 1 1 21 LEU CB C 6.901 4.163 -0.515 . . . 1.0 . . . . . . . . . . . . A . 21 LEU CB . . . . . . . . . rr_1bor 1 . 1 . 170 . 1 1 21 LEU CD1 C 4.675 4.946 0.334 . . . 1.0 . . . . . . . . . . . . A . 21 LEU CD1 . . . . . . . . . rr_1bor 1 . 1 . 171 . 1 1 21 LEU CD2 C 6.160 6.514 -0.914 . . . 1.0 . . . . . . . . . . . . A . 21 LEU CD2 . . . . . . . . . rr_1bor 1 . 1 . 172 . 1 1 21 LEU CG C 5.693 5.063 -0.801 . . . 1.0 . . . . . . . . . . . . A . 21 LEU CG . . . . . . . . . rr_1bor 1 . 1 . 173 . 1 1 21 LEU N N 5.707 2.628 -2.054 . . . 1.0 . . . . . . . . . . . . A . 21 LEU N . . . . . . . . . rr_1bor 1 . 1 . 174 . 1 1 21 LEU O O 4.699 1.814 0.366 . . . 1.0 . . . . . . . . . . . . A . 21 LEU O . . . . . . . . . rr_1bor 1 . 1 . 175 . 1 1 22 LEU C C 6.051 1.776 3.861 . . . 1.0 . . . . . . . . . . . . A . 22 LEU C . . . . . . . . . rr_1bor 1 . 1 . 176 . 1 1 22 LEU CA C 6.055 0.960 2.535 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CA . . . . . . . . . rr_1bor 1 . 1 . 177 . 1 1 22 LEU CB C 6.821 -0.343 2.785 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CB . . . . . . . . . rr_1bor 1 . 1 . 178 . 1 1 22 LEU CD1 C 6.556 -2.807 3.126 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CD1 . . . . . . . . . rr_1bor 1 . 1 . 179 . 1 1 22 LEU CD2 C 4.582 -1.297 3.362 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CD2 . . . . . . . . . rr_1bor 1 . 1 . 180 . 1 1 22 LEU CG C 5.885 -1.538 2.595 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CG . . . . . . . . . rr_1bor 1 . 1 . 181 . 1 1 22 LEU N N 6.662 1.656 1.362 . . . 1.0 . . . . . . . . . . . . A . 22 LEU N . . . . . . . . . rr_1bor 1 . 1 . 182 . 1 1 22 LEU O O 5.692 1.219 4.879 . . . 1.0 . . . . . . . . . . . . A . 22 LEU O . . . . . . . . . rr_1bor 1 . 1 . 183 . 1 1 23 PRO C C 4.993 4.250 5.469 . . . 1.0 . . . . . . . . . . . . A . 23 PRO C . . . . . . . . . rr_1bor 1 . 1 . 184 . 1 1 23 PRO CA C 6.423 3.838 5.109 . . . 1.0 . . . . . . . . . . . . A . 23 PRO CA . . . . . . . . . rr_1bor 1 . 1 . 185 . 1 1 23 PRO CB C 7.264 5.066 4.762 . . . 1.0 . . . . . . . . . . . . A . 23 PRO CB . . . . . . . . . rr_1bor 1 . 1 . 186 . 1 1 23 PRO CD C 6.870 3.797 2.683 . . . 1.0 . . . . . . . . . . . . A . 23 PRO CD . . . . . . . . . rr_1bor 1 . 1 . 187 . 1 1 23 PRO CG C 7.220 5.195 3.225 . . . 1.0 . . . . . . . . . . . . A . 23 PRO CG . . . . . . . . . rr_1bor 1 . 1 . 188 . 1 1 23 PRO N N 6.425 3.042 3.863 . . . 1.0 . . . . . . . . . . . . A . 23 PRO N . . . . . . . . . rr_1bor 1 . 1 . 189 . 1 1 23 PRO O O 4.651 4.412 6.624 . . . 1.0 . . . . . . . . . . . . A . 23 PRO O . . . . . . . . . rr_1bor 1 . 1 . 190 . 1 1 24 CYS C C 1.810 3.692 4.341 . . . 1.0 . . . . . . . . . . . . A . 24 CYS C . . . . . . . . . rr_1bor 1 . 1 . 191 . 1 1 24 CYS CA C 2.752 4.828 4.751 . . . 1.0 . . . . . . . . . . . . A . 24 CYS CA . . . . . . . . . rr_1bor 1 . 1 . 192 . 1 1 24 CYS CB C 2.447 6.116 3.979 . . . 1.0 . . . . . . . . . . . . A . 24 CYS CB . . . . . . . . . rr_1bor 1 . 1 . 193 . 1 1 24 CYS N N 4.159 4.423 4.483 . . . 1.0 . . . . . . . . . . . . A . 24 CYS N . . . . . . . . . rr_1bor 1 . 1 . 194 . 1 1 24 CYS O O 0.993 3.836 3.462 . . . 1.0 . . . . . . . . . . . . A . 24 CYS O . . . . . . . . . rr_1bor 1 . 1 . 195 . 1 1 24 CYS SG S 2.318 5.778 2.209 . . . 1.0 . . . . . . . . . . . . A . 24 CYS SG . . . . . . . . . rr_1bor 1 . 1 . 196 . 1 1 25 LEU C C 0.592 1.441 3.224 . . . 1.0 . . . . . . . . . . . . A . 25 LEU C . . . . . . . . . rr_1bor 1 . 1 . 197 . 1 1 25 LEU CA C 1.051 1.384 4.679 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CA . . . . . . . . . rr_1bor 1 . 1 . 198 . 1 1 25 LEU CB C -0.179 1.405 5.592 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CB . . . . . . . . . rr_1bor 1 . 1 . 199 . 1 1 25 LEU CD1 C -1.693 -0.072 6.920 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD1 . . . . . . . . . rr_1bor 1 . 1 . 200 . 1 1 25 LEU CD2 C -1.669 -0.250 4.441 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD2 . . . . . . . . . rr_1bor 1 . 1 . 201 . 1 1 25 LEU CG C -0.807 0.005 5.678 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CG . . . . . . . . . rr_1bor 1 . 1 . 202 . 1 1 25 LEU N N 1.929 2.558 4.995 . . . 1.0 . . . . . . . . . . . . A . 25 LEU N . . . . . . . . . rr_1bor 1 . 1 . 203 . 1 1 25 LEU O O -0.586 1.456 2.938 . . . 1.0 . . . . . . . . . . . . A . 25 LEU O . . . . . . . . . rr_1bor 1 . 1 . 204 . 1 1 26 HIS C C 1.594 0.345 0.109 . . . 1.0 . . . . . . . . . . . . A . 26 HIS C . . . . . . . . . rr_1bor 1 . 1 . 205 . 1 1 26 HIS CA C 1.048 1.533 0.880 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CA . . . . . . . . . rr_1bor 1 . 1 . 206 . 1 1 26 HIS CB C 1.417 2.858 0.206 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CB . . . . . . . . . rr_1bor 1 . 1 . 207 . 1 1 26 HIS CD2 C -0.894 3.193 -0.999 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CD2 . . . . . . . . . rr_1bor 1 . 1 . 208 . 1 1 26 HIS CE1 C -1.642 4.793 0.203 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CE1 . . . . . . . . . rr_1bor 1 . 1 . 209 . 1 1 26 HIS CG C 0.109 3.526 -0.137 . . . 1.0 . . . . . . . . . . . . A . 26 HIS CG . . . . . . . . . rr_1bor 1 . 1 . 210 . 1 1 26 HIS N N 1.497 1.482 2.292 . . . 1.0 . . . . . . . . . . . . A . 26 HIS N . . . . . . . . . rr_1bor 1 . 1 . 211 . 1 1 26 HIS ND1 N -0.388 4.566 0.597 . . . 1.0 . . . . . . . . . . . . A . 26 HIS ND1 . . . . . . . . . rr_1bor 1 . 1 . 212 . 1 1 26 HIS NE2 N -1.995 3.991 -0.775 . . . 1.0 . . . . . . . . . . . . A . 26 HIS NE2 . . . . . . . . . rr_1bor 1 . 1 . 213 . 1 1 26 HIS O O 2.267 0.471 -0.892 . . . 1.0 . . . . . . . . . . . . A . 26 HIS O . . . . . . . . . rr_1bor 1 . 1 . 214 . 1 1 27 THR C C 0.324 -2.824 -0.298 . . . 1.0 . . . . . . . . . . . . A . 27 THR C . . . . . . . . . rr_1bor 1 . 1 . 215 . 1 1 27 THR CA C 1.626 -2.066 -0.111 . . . 1.0 . . . . . . . . . . . . A . 27 THR CA . . . . . . . . . rr_1bor 1 . 1 . 216 . 1 1 27 THR CB C 2.588 -2.873 0.760 . . . 1.0 . . . . . . . . . . . . A . 27 THR CB . . . . . . . . . rr_1bor 1 . 1 . 217 . 1 1 27 THR CG2 C 3.067 -4.105 -0.008 . . . 1.0 . . . . . . . . . . . . A . 27 THR CG2 . . . . . . . . . rr_1bor 1 . 1 . 218 . 1 1 27 THR N N 1.239 -0.813 0.566 . . . 1.0 . . . . . . . . . . . . A . 27 THR N . . . . . . . . . rr_1bor 1 . 1 . 219 . 1 1 27 THR O O 0.257 -4.034 -0.211 . . . 1.0 . . . . . . . . . . . . A . 27 THR O . . . . . . . . . rr_1bor 1 . 1 . 220 . 1 1 27 THR OG1 O 3.703 -2.063 1.095 . . . 1.0 . . . . . . . . . . . . A . 27 THR OG1 . . . . . . . . . rr_1bor 1 . 1 . 221 . 1 1 28 LEU C C -2.229 -3.202 -2.110 . . . 1.0 . . . . . . . . . . . . A . 28 LEU C . . . . . . . . . rr_1bor 1 . 1 . 222 . 1 1 28 LEU CA C -2.065 -2.682 -0.682 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CA . . . . . . . . . rr_1bor 1 . 1 . 223 . 1 1 28 LEU CB C -3.130 -1.620 -0.353 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CB . . . . . . . . . rr_1bor 1 . 1 . 224 . 1 1 28 LEU CD1 C -3.016 -2.621 1.950 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CD1 . . . . . . . . . rr_1bor 1 . 1 . 225 . 1 1 28 LEU CD2 C -1.890 -0.451 1.472 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CD2 . . . . . . . . . rr_1bor 1 . 1 . 226 . 1 1 28 LEU CG C -3.105 -1.319 1.154 . . . 1.0 . . . . . . . . . . . . A . 28 LEU CG . . . . . . . . . rr_1bor 1 . 1 . 227 . 1 1 28 LEU N N -0.725 -2.079 -0.521 . . . 1.0 . . . . . . . . . . . . A . 28 LEU N . . . . . . . . . rr_1bor 1 . 1 . 228 . 1 1 28 LEU O O -1.636 -4.198 -2.472 . . . 1.0 . . . . . . . . . . . . A . 28 LEU O . . . . . . . . . rr_1bor 1 . 1 . 229 . 1 1 29 CYS C C -3.602 -2.033 -5.267 . . . 1.0 . . . . . . . . . . . . A . 29 CYS C . . . . . . . . . rr_1bor 1 . 1 . 230 . 1 1 29 CYS CA C -3.214 -3.141 -4.288 . . . 1.0 . . . . . . . . . . . . A . 29 CYS CA . . . . . . . . . rr_1bor 1 . 1 . 231 . 1 1 29 CYS CB C -4.255 -4.273 -4.193 . . . 1.0 . . . . . . . . . . . . A . 29 CYS CB . . . . . . . . . rr_1bor 1 . 1 . 232 . 1 1 29 CYS N N -3.041 -2.589 -2.921 . . . 1.0 . . . . . . . . . . . . A . 29 CYS N . . . . . . . . . rr_1bor 1 . 1 . 233 . 1 1 29 CYS O O -4.722 -1.563 -5.304 . . . 1.0 . . . . . . . . . . . . A . 29 CYS O . . . . . . . . . rr_1bor 1 . 1 . 234 . 1 1 29 CYS SG S -5.617 -4.127 -5.374 . . . 1.0 . . . . . . . . . . . . A . 29 CYS SG . . . . . . . . . rr_1bor 1 . 1 . 235 . 1 1 30 SER C C -4.132 -0.895 -7.889 . . . 1.0 . . . . . . . . . . . . A . 30 SER C . . . . . . . . . rr_1bor 1 . 1 . 236 . 1 1 30 SER CA C -2.903 -0.544 -7.052 . . . 1.0 . . . . . . . . . . . . A . 30 SER CA . . . . . . . . . rr_1bor 1 . 1 . 237 . 1 1 30 SER CB C -1.683 -0.430 -7.966 . . . 1.0 . . . . . . . . . . . . A . 30 SER CB . . . . . . . . . rr_1bor 1 . 1 . 238 . 1 1 30 SER N N -2.654 -1.618 -6.057 . . . 1.0 . . . . . . . . . . . . A . 30 SER N . . . . . . . . . rr_1bor 1 . 1 . 239 . 1 1 30 SER O O -4.029 -1.524 -8.923 . . . 1.0 . . . . . . . . . . . . A . 30 SER O . . . . . . . . . rr_1bor 1 . 1 . 240 . 1 1 30 SER OG O -1.691 0.839 -8.607 . . . 1.0 . . . . . . . . . . . . A . 30 SER OG . . . . . . . . . rr_1bor 1 . 1 . 241 . 1 1 31 GLY C C -7.760 -0.657 -7.353 . . . 1.0 . . . . . . . . . . . . A . 31 GLY C . . . . . . . . . rr_1bor 1 . 1 . 242 . 1 1 31 GLY CA C -6.521 -0.808 -8.238 . . . 1.0 . . . . . . . . . . . . A . 31 GLY CA . . . . . . . . . rr_1bor 1 . 1 . 243 . 1 1 31 GLY N N -5.295 -0.494 -7.455 . . . 1.0 . . . . . . . . . . . . A . 31 GLY N . . . . . . . . . rr_1bor 1 . 1 . 244 . 1 1 31 GLY O O -8.840 -0.371 -7.831 . . . 1.0 . . . . . . . . . . . . A . 31 GLY O . . . . . . . . . rr_1bor 1 . 1 . 245 . 1 1 32 CYS C C -8.424 -0.017 -3.871 . . . 1.0 . . . . . . . . . . . . A . 32 CYS C . . . . . . . . . rr_1bor 1 . 1 . 246 . 1 1 32 CYS CA C -8.812 -0.724 -5.178 . . . 1.0 . . . . . . . . . . . . A . 32 CYS CA . . . . . . . . . rr_1bor 1 . 1 . 247 . 1 1 32 CYS CB C -9.377 -2.130 -4.884 . . . 1.0 . . . . . . . . . . . . A . 32 CYS CB . . . . . . . . . rr_1bor 1 . 1 . 248 . 1 1 32 CYS N N -7.624 -0.853 -6.069 . . . 1.0 . . . . . . . . . . . . A . 32 CYS N . . . . . . . . . rr_1bor 1 . 1 . 249 . 1 1 32 CYS O O -9.229 0.113 -2.970 . . . 1.0 . . . . . . . . . . . . A . 32 CYS O . . . . . . . . . rr_1bor 1 . 1 . 250 . 1 1 32 CYS SG S -8.557 -2.875 -3.441 . . . 1.0 . . . . . . . . . . . . A . 32 CYS SG . . . . . . . . . rr_1bor 1 . 1 . 251 . 1 1 33 LEU C C -6.323 2.515 -2.757 . . . 1.0 . . . . . . . . . . . . A . 33 LEU C . . . . . . . . . rr_1bor 1 . 1 . 252 . 1 1 33 LEU CA C -6.784 1.088 -2.482 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CA . . . . . . . . . rr_1bor 1 . 1 . 253 . 1 1 33 LEU CB C -5.636 0.281 -1.864 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CB . . . . . . . . . rr_1bor 1 . 1 . 254 . 1 1 33 LEU CD1 C -4.391 1.971 -0.511 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CD1 . . . . . . . . . rr_1bor 1 . 1 . 255 . 1 1 33 LEU CD2 C -6.579 1.101 0.338 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CD2 . . . . . . . . . rr_1bor 1 . 1 . 256 . 1 1 33 LEU CG C -5.305 0.754 -0.442 . . . 1.0 . . . . . . . . . . . . A . 33 LEU CG . . . . . . . . . rr_1bor 1 . 1 . 257 . 1 1 33 LEU N N -7.200 0.420 -3.746 . . . 1.0 . . . . . . . . . . . . A . 33 LEU N . . . . . . . . . rr_1bor 1 . 1 . 258 . 1 1 33 LEU O O -5.689 2.804 -3.751 . . . 1.0 . . . . . . . . . . . . A . 33 LEU O . . . . . . . . . rr_1bor 1 . 1 . 259 . 1 1 34 GLU C C -6.524 5.533 -0.690 . . . 1.0 . . . . . . . . . . . . A . 34 GLU C . . . . . . . . . rr_1bor 1 . 1 . 260 . 1 1 34 GLU CA C -6.239 4.822 -2.007 . . . 1.0 . . . . . . . . . . . . A . 34 GLU CA . . . . . . . . . rr_1bor 1 . 1 . 261 . 1 1 34 GLU CB C -7.030 5.468 -3.139 . . . 1.0 . . . . . . . . . . . . A . 34 GLU CB . . . . . . . . . rr_1bor 1 . 1 . 262 . 1 1 34 GLU CD C -9.358 6.355 -3.315 . . . 1.0 . . . . . . . . . . . . A . 34 GLU CD . . . . . . . . . rr_1bor 1 . 1 . 263 . 1 1 34 GLU CG C -8.512 5.124 -2.986 . . . 1.0 . . . . . . . . . . . . A . 34 GLU CG . . . . . . . . . rr_1bor 1 . 1 . 264 . 1 1 34 GLU N N -6.644 3.402 -1.861 . . . 1.0 . . . . . . . . . . . . A . 34 GLU N . . . . . . . . . rr_1bor 1 . 1 . 265 . 1 1 34 GLU O O -7.369 6.402 -0.607 . . . 1.0 . . . . . . . . . . . . A . 34 GLU O . . . . . . . . . rr_1bor 1 . 1 . 266 . 1 1 34 GLU OE1 O -8.891 7.183 -4.079 . . . 1.0 . . . . . . . . . . . . A . 34 GLU OE1 . . . . . . . . . rr_1bor 1 . 1 . 267 . 1 1 34 GLU OE2 O -10.458 6.449 -2.796 . . . 1.0 . . . . . . . . . . . . A . 34 GLU OE2 . . . . . . . . . rr_1bor 1 . 1 . 268 . 1 1 35 ALA C C -7.581 5.809 1.918 . . . 1.0 . . . . . . . . . . . . A . 35 ALA C . . . . . . . . . rr_1bor 1 . 1 . 269 . 1 1 35 ALA CA C -6.078 5.774 1.674 . . . 1.0 . . . . . . . . . . . . A . 35 ALA CA . . . . . . . . . rr_1bor 1 . 1 . 270 . 1 1 35 ALA CB C -5.525 7.191 1.675 . . . 1.0 . . . . . . . . . . . . A . 35 ALA CB . . . . . . . . . rr_1bor 1 . 1 . 271 . 1 1 35 ALA N N -5.836 5.147 0.353 . . . 1.0 . . . . . . . . . . . . A . 35 ALA N . . . . . . . . . rr_1bor 1 . 1 . 272 . 1 1 35 ALA O O -8.092 6.639 2.644 . . . 1.0 . . . . . . . . . . . . A . 35 ALA O . . . . . . . . . rr_1bor 1 . 1 . 273 . 1 1 36 SER C C -10.134 3.996 2.660 . . . 1.0 . . . . . . . . . . . . A . 36 SER C . . . . . . . . . rr_1bor 1 . 1 . 274 . 1 1 36 SER CA C -9.768 4.877 1.467 . . . 1.0 . . . . . . . . . . . . A . 36 SER CA . . . . . . . . . rr_1bor 1 . 1 . 275 . 1 1 36 SER CB C -10.411 4.312 0.200 . . . 1.0 . . . . . . . . . . . . A . 36 SER CB . . . . . . . . . rr_1bor 1 . 1 . 276 . 1 1 36 SER N N -8.291 4.911 1.298 . . . 1.0 . . . . . . . . . . . . A . 36 SER N . . . . . . . . . rr_1bor 1 . 1 . 277 . 1 1 36 SER O O -11.206 4.119 3.220 . . . 1.0 . . . . . . . . . . . . A . 36 SER O . . . . . . . . . rr_1bor 1 . 1 . 278 . 1 1 36 SER OG O -10.832 5.385 -0.633 . . . 1.0 . . . . . . . . . . . . A . 36 SER OG . . . . . . . . . rr_1bor 1 . 1 . 279 . 1 1 37 GLY C C -8.451 1.322 4.614 . . . 1.0 . . . . . . . . . . . . A . 37 GLY C . . . . . . . . . rr_1bor 1 . 1 . 280 . 1 1 37 GLY CA C -9.618 2.237 4.224 . . . 1.0 . . . . . . . . . . . . A . 37 GLY CA . . . . . . . . . rr_1bor 1 . 1 . 281 . 1 1 37 GLY N N -9.267 3.104 3.062 . . . 1.0 . . . . . . . . . . . . A . 37 GLY N . . . . . . . . . rr_1bor 1 . 1 . 282 . 1 1 37 GLY O O -8.655 0.190 5.004 . . . 1.0 . . . . . . . . . . . . A . 37 GLY O . . . . . . . . . rr_1bor 1 . 1 . 283 . 1 1 38 MET C C -5.270 1.663 6.011 . . . 1.0 . . . . . . . . . . . . A . 38 MET C . . . . . . . . . rr_1bor 1 . 1 . 284 . 1 1 38 MET CA C -6.095 0.931 4.949 . . . 1.0 . . . . . . . . . . . . A . 38 MET CA . . . . . . . . . rr_1bor 1 . 1 . 285 . 1 1 38 MET CB C -5.223 0.589 3.736 . . . 1.0 . . . . . . . . . . . . A . 38 MET CB . . . . . . . . . rr_1bor 1 . 1 . 286 . 1 1 38 MET CE C -2.605 3.002 2.126 . . . 1.0 . . . . . . . . . . . . A . 38 MET CE . . . . . . . . . rr_1bor 1 . 1 . 287 . 1 1 38 MET CG C -4.931 1.848 2.922 . . . 1.0 . . . . . . . . . . . . A . 38 MET CG . . . . . . . . . rr_1bor 1 . 1 . 288 . 1 1 38 MET N N -7.237 1.795 4.545 . . . 1.0 . . . . . . . . . . . . A . 38 MET N . . . . . . . . . rr_1bor 1 . 1 . 289 . 1 1 38 MET O O -4.736 1.038 6.901 . . . 1.0 . . . . . . . . . . . . A . 38 MET O . . . . . . . . . rr_1bor 1 . 1 . 290 . 1 1 38 MET SD S -3.524 2.719 3.656 . . . 1.0 . . . . . . . . . . . . A . 38 MET SD . . . . . . . . . rr_1bor 1 . 1 . 291 . 1 1 39 GLN C C -3.544 4.810 6.145 . . . 1.0 . . . . . . . . . . . . A . 39 GLN C . . . . . . . . . rr_1bor 1 . 1 . 292 . 1 1 39 GLN CA C -4.431 3.828 6.903 . . . 1.0 . . . . . . . . . . . . A . 39 GLN CA . . . . . . . . . rr_1bor 1 . 1 . 293 . 1 1 39 GLN CB C -3.548 2.989 7.837 . . . 1.0 . . . . . . . . . . . . A . 39 GLN CB . . . . . . . . . rr_1bor 1 . 1 . 294 . 1 1 39 GLN CD C -4.251 3.279 10.224 . . . 1.0 . . . . . . . . . . . . A . 39 GLN CD . . . . . . . . . rr_1bor 1 . 1 . 295 . 1 1 39 GLN CG C -4.401 2.412 8.974 . . . 1.0 . . . . . . . . . . . . A . 39 GLN CG . . . . . . . . . rr_1bor 1 . 1 . 296 . 1 1 39 GLN N N -5.192 2.981 5.914 . . . 1.0 . . . . . . . . . . . . A . 39 GLN N . . . . . . . . . rr_1bor 1 . 1 . 297 . 1 1 39 GLN NE2 N -4.431 4.568 10.134 . . . 1.0 . . . . . . . . . . . . A . 39 GLN NE2 . . . . . . . . . rr_1bor 1 . 1 . 298 . 1 1 39 GLN O O -2.332 4.748 6.214 . . . 1.0 . . . . . . . . . . . . A . 39 GLN O . . . . . . . . . rr_1bor 1 . 1 . 299 . 1 1 39 GLN OE1 O -3.971 2.778 11.295 . . . 1.0 . . . . . . . . . . . . A . 39 GLN OE1 . . . . . . . . . rr_1bor 1 . 1 . 300 . 1 1 40 CYS C C -4.198 7.908 4.276 . . . 1.0 . . . . . . . . . . . . A . 40 CYS C . . . . . . . . . rr_1bor 1 . 1 . 301 . 1 1 40 CYS CA C -3.317 6.717 4.684 . . . 1.0 . . . . . . . . . . . . A . 40 CYS CA . . . . . . . . . rr_1bor 1 . 1 . 302 . 1 1 40 CYS CB C -2.677 6.034 3.469 . . . 1.0 . . . . . . . . . . . . A . 40 CYS CB . . . . . . . . . rr_1bor 1 . 1 . 303 . 1 1 40 CYS N N -4.135 5.727 5.430 . . . 1.0 . . . . . . . . . . . . A . 40 CYS N . . . . . . . . . rr_1bor 1 . 1 . 304 . 1 1 40 CYS O O -5.401 7.779 4.178 . . . 1.0 . . . . . . . . . . . . A . 40 CYS O . . . . . . . . . rr_1bor 1 . 1 . 305 . 1 1 40 CYS SG S -1.020 5.524 3.931 . . . 1.0 . . . . . . . . . . . . A . 40 CYS SG . . . . . . . . . rr_1bor 1 . 1 . 306 . 1 1 41 PRO C C -4.459 10.417 2.235 . . . 1.0 . . . . . . . . . . . . A . 41 PRO C . . . . . . . . . rr_1bor 1 . 1 . 307 . 1 1 41 PRO CA C -4.254 10.306 3.747 . . . 1.0 . . . . . . . . . . . . A . 41 PRO CA . . . . . . . . . rr_1bor 1 . 1 . 308 . 1 1 41 PRO CB C -3.268 11.378 4.215 . . . 1.0 . . . . . . . . . . . . A . 41 PRO CB . . . . . . . . . rr_1bor 1 . 1 . 309 . 1 1 41 PRO CD C -2.108 9.182 4.228 . . . 1.0 . . . . . . . . . . . . A . 41 PRO CD . . . . . . . . . rr_1bor 1 . 1 . 310 . 1 1 41 PRO CG C -1.872 10.705 4.249 . . . 1.0 . . . . . . . . . . . . A . 41 PRO CG . . . . . . . . . rr_1bor 1 . 1 . 311 . 1 1 41 PRO N N -3.568 9.046 4.096 . . . 1.0 . . . . . . . . . . . . A . 41 PRO N . . . . . . . . . rr_1bor 1 . 1 . 312 . 1 1 41 PRO O O -3.593 10.898 1.531 . . . 1.0 . . . . . . . . . . . . A . 41 PRO O . . . . . . . . . rr_1bor 1 . 1 . 313 . 1 1 42 ILE C C -4.569 9.928 -0.517 . . . 1.0 . . . . . . . . . . . . A . 42 ILE C . . . . . . . . . rr_1bor 1 . 1 . 314 . 1 1 42 ILE CA C -5.875 10.066 0.270 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CA . . . . . . . . . rr_1bor 1 . 1 . 315 . 1 1 42 ILE CB C -6.539 11.408 -0.059 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CB . . . . . . . . . rr_1bor 1 . 1 . 316 . 1 1 42 ILE CD1 C -6.994 10.192 -2.226 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CD1 . . . . . . . . . rr_1bor 1 . 1 . 317 . 1 1 42 ILE CG1 C -6.723 11.558 -1.581 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CG1 . . . . . . . . . rr_1bor 1 . 1 . 318 . 1 1 42 ILE CG2 C -5.657 12.547 0.457 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CG2 . . . . . . . . . rr_1bor 1 . 1 . 319 . 1 1 42 ILE N N -5.596 9.989 1.740 . . . 1.0 . . . . . . . . . . . . A . 42 ILE N . . . . . . . . . rr_1bor 1 . 1 . 320 . 1 1 42 ILE O O -4.356 10.591 -1.512 . . . 1.0 . . . . . . . . . . . . A . 42 ILE O . . . . . . . . . rr_1bor 1 . 1 . 321 . 1 1 43 CYS C C -2.586 8.948 -2.262 . . . 1.0 . . . . . . . . . . . . A . 43 CYS C . . . . . . . . . rr_1bor 1 . 1 . 322 . 1 1 43 CYS CA C -2.385 8.889 -0.746 . . . 1.0 . . . . . . . . . . . . A . 43 CYS CA . . . . . . . . . rr_1bor 1 . 1 . 323 . 1 1 43 CYS CB C -1.812 7.530 -0.348 . . . 1.0 . . . . . . . . . . . . A . 43 CYS CB . . . . . . . . . rr_1bor 1 . 1 . 324 . 1 1 43 CYS N N -3.690 9.079 -0.057 . . . 1.0 . . . . . . . . . . . . A . 43 CYS N . . . . . . . . . rr_1bor 1 . 1 . 325 . 1 1 43 CYS O O -2.329 9.954 -2.891 . . . 1.0 . . . . . . . . . . . . A . 43 CYS O . . . . . . . . . rr_1bor 1 . 1 . 326 . 1 1 43 CYS SG S -0.597 7.799 0.977 . . . 1.0 . . . . . . . . . . . . A . 43 CYS SG . . . . . . . . . rr_1bor 1 . 1 . 327 . 1 1 44 GLN C C -2.473 8.798 -5.086 . . . 1.0 . . . . . . . . . . . . A . 44 GLN C . . . . . . . . . rr_1bor 1 . 1 . 328 . 1 1 44 GLN CA C -3.332 7.799 -4.301 . . . 1.0 . . . . . . . . . . . . A . 44 GLN CA . . . . . . . . . rr_1bor 1 . 1 . 329 . 1 1 44 GLN CB C -4.809 8.103 -4.556 . . . 1.0 . . . . . . . . . . . . A . 44 GLN CB . . . . . . . . . rr_1bor 1 . 1 . 330 . 1 1 44 GLN CD C -5.664 8.141 -6.904 . . . 1.0 . . . . . . . . . . . . A . 44 GLN CD . . . . . . . . . rr_1bor 1 . 1 . 331 . 1 1 44 GLN CG C -5.316 7.243 -5.716 . . . 1.0 . . . . . . . . . . . . A . 44 GLN CG . . . . . . . . . rr_1bor 1 . 1 . 332 . 1 1 44 GLN N N -3.066 7.873 -2.826 . . . 1.0 . . . . . . . . . . . . A . 44 GLN N . . . . . . . . . rr_1bor 1 . 1 . 333 . 1 1 44 GLN NE2 N -6.917 8.336 -7.214 . . . 1.0 . . . . . . . . . . . . A . 44 GLN NE2 . . . . . . . . . rr_1bor 1 . 1 . 334 . 1 1 44 GLN O O -2.972 9.777 -5.605 . . . 1.0 . . . . . . . . . . . . A . 44 GLN O . . . . . . . . . rr_1bor 1 . 1 . 335 . 1 1 44 GLN OE1 O -4.788 8.670 -7.558 . . . 1.0 . . . . . . . . . . . . A . 44 GLN OE1 . . . . . . . . . rr_1bor 1 . 1 . 336 . 1 1 45 ALA C C 1.071 8.915 -6.169 . . . 1.0 . . . . . . . . . . . . A . 45 ALA C . . . . . . . . . rr_1bor 1 . 1 . 337 . 1 1 45 ALA CA C -0.338 9.501 -5.980 . . . 1.0 . . . . . . . . . . . . A . 45 ALA CA . . . . . . . . . rr_1bor 1 . 1 . 338 . 1 1 45 ALA CB C -0.266 10.852 -5.266 . . . 1.0 . . . . . . . . . . . . A . 45 ALA CB . . . . . . . . . rr_1bor 1 . 1 . 339 . 1 1 45 ALA N N -1.193 8.558 -5.201 . . . 1.0 . . . . . . . . . . . . A . 45 ALA N . . . . . . . . . rr_1bor 1 . 1 . 340 . 1 1 45 ALA O O 1.464 8.638 -7.285 . . . 1.0 . . . . . . . . . . . . A . 45 ALA O . . . . . . . . . rr_1bor 1 . 1 . 341 . 1 1 46 PRO C C 3.125 6.634 -5.248 . . . 1.0 . . . . . . . . . . . . A . 46 PRO C . . . . . . . . . rr_1bor 1 . 1 . 342 . 1 1 46 PRO CA C 3.166 8.168 -5.141 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CA . . . . . . . . . rr_1bor 1 . 1 . 343 . 1 1 46 PRO CB C 3.774 8.579 -3.800 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CB . . . . . . . . . rr_1bor 1 . 1 . 344 . 1 1 46 PRO CD C 1.346 9.070 -3.717 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CD . . . . . . . . . rr_1bor 1 . 1 . 345 . 1 1 46 PRO CG C 2.586 8.820 -2.838 . . . 1.0 . . . . . . . . . . . . A . 46 PRO CG . . . . . . . . . rr_1bor 1 . 1 . 346 . 1 1 46 PRO N N 1.798 8.732 -5.085 . . . 1.0 . . . . . . . . . . . . A . 46 PRO N . . . . . . . . . rr_1bor 1 . 1 . 347 . 1 1 46 PRO O O 4.045 5.955 -4.843 . . . 1.0 . . . . . . . . . . . . A . 46 PRO O . . . . . . . . . rr_1bor 1 . 1 . 348 . 1 1 47 TRP C C 3.117 3.983 -6.663 . . . 1.0 . . . . . . . . . . . . A . 47 TRP C . . . . . . . . . rr_1bor 1 . 1 . 349 . 1 1 47 TRP CA C 1.939 4.606 -5.895 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CA . . . . . . . . . rr_1bor 1 . 1 . 350 . 1 1 47 TRP CB C 0.632 4.273 -6.616 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CB . . . . . . . . . rr_1bor 1 . 1 . 351 . 1 1 47 TRP CD1 C 0.019 1.969 -5.794 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CD1 . . . . . . . . . rr_1bor 1 . 1 . 352 . 1 1 47 TRP CD2 C -1.250 3.585 -4.882 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CD2 . . . . . . . . . rr_1bor 1 . 1 . 353 . 1 1 47 TRP CE2 C -1.693 2.361 -4.333 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CE2 . . . . . . . . . rr_1bor 1 . 1 . 354 . 1 1 47 TRP CE3 C -1.894 4.766 -4.469 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CE3 . . . . . . . . . rr_1bor 1 . 1 . 355 . 1 1 47 TRP CG C -0.159 3.309 -5.801 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CG . . . . . . . . . rr_1bor 1 . 1 . 356 . 1 1 47 TRP CH2 C -3.354 3.488 -3.011 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CH2 . . . . . . . . . rr_1bor 1 . 1 . 357 . 1 1 47 TRP CZ2 C -2.730 2.312 -3.409 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CZ2 . . . . . . . . . rr_1bor 1 . 1 . 358 . 1 1 47 TRP CZ3 C -2.941 4.713 -3.540 . . . 1.0 . . . . . . . . . . . . A . 47 TRP CZ3 . . . . . . . . . rr_1bor 1 . 1 . 359 . 1 1 47 TRP N N 2.061 6.089 -5.776 . . . 1.0 . . . . . . . . . . . . A . 47 TRP N . . . . . . . . . rr_1bor 1 . 1 . 360 . 1 1 47 TRP NE1 N -0.893 1.405 -4.924 . . . 1.0 . . . . . . . . . . . . A . 47 TRP NE1 . . . . . . . . . rr_1bor 1 . 1 . 361 . 1 1 47 TRP O O 3.619 2.953 -6.260 . . . 1.0 . . . . . . . . . . . . A . 47 TRP O . . . . . . . . . rr_1bor 1 . 1 . 362 . 1 1 48 PRO C C 5.975 4.286 -7.899 . . . 1.0 . . . . . . . . . . . . A . 48 PRO C . . . . . . . . . rr_1bor 1 . 1 . 363 . 1 1 48 PRO CA C 4.619 4.057 -8.575 . . . 1.0 . . . . . . . . . . . . A . 48 PRO CA . . . . . . . . . rr_1bor 1 . 1 . 364 . 1 1 48 PRO CB C 4.497 4.830 -9.891 . . . 1.0 . . . . . . . . . . . . A . 48 PRO CB . . . . . . . . . rr_1bor 1 . 1 . 365 . 1 1 48 PRO CD C 2.935 5.851 -8.265 . . . 1.0 . . . . . . . . . . . . A . 48 PRO CD . . . . . . . . . rr_1bor 1 . 1 . 366 . 1 1 48 PRO CG C 3.711 6.122 -9.568 . . . 1.0 . . . . . . . . . . . . A . 48 PRO CG . . . . . . . . . rr_1bor 1 . 1 . 367 . 1 1 48 PRO N N 3.517 4.591 -7.753 . . . 1.0 . . . . . . . . . . . . A . 48 PRO N . . . . . . . . . rr_1bor 1 . 1 . 368 . 1 1 48 PRO O O 6.920 3.561 -8.135 . . . 1.0 . . . . . . . . . . . . A . 48 PRO O . . . . . . . . . rr_1bor 1 . 1 . 369 . 1 1 49 LEU C C 7.347 4.890 -4.972 . . . 1.0 . . . . . . . . . . . . A . 49 LEU C . . . . . . . . . rr_1bor 1 . 1 . 370 . 1 1 49 LEU CA C 7.382 5.521 -6.368 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CA . . . . . . . . . rr_1bor 1 . 1 . 371 . 1 1 49 LEU CB C 7.624 7.027 -6.248 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CB . . . . . . . . . rr_1bor 1 . 1 . 372 . 1 1 49 LEU CD1 C 9.133 8.896 -6.940 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CD1 . . . . . . . . . rr_1bor 1 . 1 . 373 . 1 1 49 LEU CD2 C 10.101 6.759 -6.083 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CD2 . . . . . . . . . rr_1bor 1 . 1 . 374 . 1 1 49 LEU CG C 8.964 7.376 -6.899 . . . 1.0 . . . . . . . . . . . . A . 49 LEU CG . . . . . . . . . rr_1bor 1 . 1 . 375 . 1 1 49 LEU N N 6.081 5.275 -7.055 . . . 1.0 . . . . . . . . . . . . A . 49 LEU N . . . . . . . . . rr_1bor 1 . 1 . 376 . 1 1 49 LEU O O 6.552 5.265 -4.133 . . . 1.0 . . . . . . . . . . . . A . 49 LEU O . . . . . . . . . rr_1bor 1 . 1 . 377 . 1 1 50 GLY C C 9.605 3.379 -2.752 . . . 1.0 . . . . . . . . . . . . A . 50 GLY C . . . . . . . . . rr_1bor 1 . 1 . 378 . 1 1 50 GLY CA C 8.206 3.279 -3.373 . . . 1.0 . . . . . . . . . . . . A . 50 GLY CA . . . . . . . . . rr_1bor 1 . 1 . 379 . 1 1 50 GLY N N 8.200 3.932 -4.716 . . . 1.0 . . . . . . . . . . . . A . 50 GLY N . . . . . . . . . rr_1bor 1 . 1 . 380 . 1 1 50 GLY O O 10.582 3.588 -3.443 . . . 1.0 . . . . . . . . . . . . A . 50 GLY O . . . . . . . . . rr_1bor 1 . 1 . 381 . 1 1 51 ALA C C 11.586 1.900 -0.546 . . . 1.0 . . . . . . . . . . . . A . 51 ALA C . . . . . . . . . rr_1bor 1 . 1 . 382 . 1 1 51 ALA CA C 11.062 3.316 -0.815 . . . 1.0 . . . . . . . . . . . . A . 51 ALA CA . . . . . . . . . rr_1bor 1 . 1 . 383 . 1 1 51 ALA CB C 10.955 4.093 0.499 . . . 1.0 . . . . . . . . . . . . A . 51 ALA CB . . . . . . . . . rr_1bor 1 . 1 . 384 . 1 1 51 ALA N N 9.718 3.229 -1.453 . . . 1.0 . . . . . . . . . . . . A . 51 ALA N . . . . . . . . . rr_1bor 1 . 1 . 385 . 1 1 51 ALA O O 12.079 1.235 -1.436 . . . 1.0 . . . . . . . . . . . . A . 51 ALA O . . . . . . . . . rr_1bor 1 . 1 . 386 . 1 1 52 ASP C C 10.756 -0.883 1.105 . . . 1.0 . . . . . . . . . . . . A . 52 ASP C . . . . . . . . . rr_1bor 1 . 1 . 387 . 1 1 52 ASP CA C 11.960 0.049 0.973 . . . 1.0 . . . . . . . . . . . . A . 52 ASP CA . . . . . . . . . rr_1bor 1 . 1 . 388 . 1 1 52 ASP CB C 12.747 0.058 2.286 . . . 1.0 . . . . . . . . . . . . A . 52 ASP CB . . . . . . . . . rr_1bor 1 . 1 . 389 . 1 1 52 ASP CG C 12.070 1.002 3.281 . . . 1.0 . . . . . . . . . . . . A . 52 ASP CG . . . . . . . . . rr_1bor 1 . 1 . 390 . 1 1 52 ASP N N 11.475 1.424 0.667 . . . 1.0 . . . . . . . . . . . . A . 52 ASP N . . . . . . . . . rr_1bor 1 . 1 . 391 . 1 1 52 ASP O O 10.254 -1.115 2.187 . . . 1.0 . . . . . . . . . . . . A . 52 ASP O . . . . . . . . . rr_1bor 1 . 1 . 392 . 1 1 52 ASP OD1 O 10.851 1.047 3.290 . . . 1.0 . . . . . . . . . . . . A . 52 ASP OD1 . . . . . . . . . rr_1bor 1 . 1 . 393 . 1 1 52 ASP OD2 O 12.783 1.664 4.017 . . . 1.0 . . . . . . . . . . . . A . 52 ASP OD2 . . . . . . . . . rr_1bor 1 . 1 . 394 . 1 1 53 THR C C 9.400 -3.613 -0.690 . . . 1.0 . . . . . . . . . . . . A . 53 THR C . . . . . . . . . rr_1bor 1 . 1 . 395 . 1 1 53 THR CA C 9.101 -2.322 0.081 . . . 1.0 . . . . . . . . . . . . A . 53 THR CA . . . . . . . . . rr_1bor 1 . 1 . 396 . 1 1 53 THR CB C 7.873 -1.632 -0.531 . . . 1.0 . . . . . . . . . . . . A . 53 THR CB . . . . . . . . . rr_1bor 1 . 1 . 397 . 1 1 53 THR CG2 C 8.077 -0.117 -0.570 . . . 1.0 . . . . . . . . . . . . A . 53 THR CG2 . . . . . . . . . rr_1bor 1 . 1 . 398 . 1 1 53 THR N N 10.281 -1.414 0.012 . . . 1.0 . . . . . . . . . . . . A . 53 THR N . . . . . . . . . rr_1bor 1 . 1 . 399 . 1 1 53 THR O O 10.474 -3.774 -1.233 . . . 1.0 . . . . . . . . . . . . A . 53 THR O . . . . . . . . . rr_1bor 1 . 1 . 400 . 1 1 53 THR OG1 O 7.671 -2.114 -1.852 . . . 1.0 . . . . . . . . . . . . A . 53 THR OG1 . . . . . . . . . rr_1bor 1 . 1 . 401 . 1 1 54 PRO C C 8.271 -5.631 -2.889 . . . 1.0 . . . . . . . . . . . . A . 54 PRO C . . . . . . . . . rr_1bor 1 . 1 . 402 . 1 1 54 PRO CA C 8.551 -5.795 -1.393 . . . 1.0 . . . . . . . . . . . . A . 54 PRO CA . . . . . . . . . rr_1bor 1 . 1 . 403 . 1 1 54 PRO CB C 7.467 -6.648 -0.728 . . . 1.0 . . . . . . . . . . . . A . 54 PRO CB . . . . . . . . . rr_1bor 1 . 1 . 404 . 1 1 54 PRO CD C 7.133 -4.288 -0.038 . . . 1.0 . . . . . . . . . . . . A . 54 PRO CD . . . . . . . . . rr_1bor 1 . 1 . 405 . 1 1 54 PRO CG C 6.435 -5.659 -0.131 . . . 1.0 . . . . . . . . . . . . A . 54 PRO CG . . . . . . . . . rr_1bor 1 . 1 . 406 . 1 1 54 PRO N N 8.433 -4.498 -0.706 . . . 1.0 . . . . . . . . . . . . A . 54 PRO N . . . . . . . . . rr_1bor 1 . 1 . 407 . 1 1 54 PRO O O 9.002 -6.120 -3.726 . . . 1.0 . . . . . . . . . . . . A . 54 PRO O . . . . . . . . . rr_1bor 1 . 1 . 408 . 1 1 55 ALA C C 6.327 -6.052 -5.246 . . . 1.0 . . . . . . . . . . . . A . 55 ALA C . . . . . . . . . rr_1bor 1 . 1 . 409 . 1 1 55 ALA CA C 6.882 -4.749 -4.668 . . . 1.0 . . . . . . . . . . . . A . 55 ALA CA . . . . . . . . . rr_1bor 1 . 1 . 410 . 1 1 55 ALA CB C 8.144 -4.345 -5.433 . . . 1.0 . . . . . . . . . . . . A . 55 ALA CB . . . . . . . . . rr_1bor 1 . 1 . 411 . 1 1 55 ALA N N 7.214 -4.945 -3.229 . . . 1.0 . . . . . . . . . . . . A . 55 ALA N . . . . . . . . . rr_1bor 1 . 1 . 412 . 1 1 55 ALA O O 6.180 -7.038 -4.550 . . . 1.0 . . . . . . . . . . . . A . 55 ALA O . . . . . . . . . rr_1bor 1 . 1 . 413 . 1 1 56 LEU C C 5.926 -7.390 -8.590 . . . 1.0 . . . . . . . . . . . . A . 56 LEU C . . . . . . . . . rr_1bor 1 . 1 . 414 . 1 1 56 LEU CA C 5.465 -7.303 -7.133 . . . 1.0 . . . . . . . . . . . . A . 56 LEU CA . . . . . . . . . rr_1bor 1 . 1 . 415 . 1 1 56 LEU CB C 3.937 -7.261 -7.084 . . . 1.0 . . . . . . . . . . . . A . 56 LEU CB . . . . . . . . . rr_1bor 1 . 1 . 416 . 1 1 56 LEU CD1 C 2.232 -5.784 -8.161 . . . 1.0 . . . . . . . . . . . . A . 56 LEU CD1 . . . . . . . . . rr_1bor 1 . 1 . 417 . 1 1 56 LEU CD2 C 3.096 -5.238 -5.882 . . . 1.0 . . . . . . . . . . . . A . 56 LEU CD2 . . . . . . . . . rr_1bor 1 . 1 . 418 . 1 1 56 LEU CG C 3.461 -5.816 -7.252 . . . 1.0 . . . . . . . . . . . . A . 56 LEU CG . . . . . . . . . rr_1bor 1 . 1 . 419 . 1 1 56 LEU N N 6.014 -6.064 -6.512 . . . 1.0 . . . . . . . . . . . . A . 56 LEU N . . . . . . . . . rr_1bor 1 . 1 . 420 . 1 1 56 LEU O O 6.454 -6.407 -9.084 . . . 1.0 . . . . . . . . . . . . A . 56 LEU O . . . . . . . . . rr_1bor 1 . 1 . 421 . 1 1 56 LEU OXT O 5.743 -8.439 -9.187 . . . 1.0 . . . . . . . . . . . . A . 56 LEU OXT . . . . . . . . . rr_1bor 1 . 1 . 422 . 2 2 1 ZN ZN Zn -7.295 -4.729 -3.951 . . . 1.0 . . . . . . . . . . . . A . 57 ZN ZN . . . . . . . . . rr_1bor 1 . 1 . 423 . 3 2 1 ZN ZN Zn 0.071 5.849 1.970 . . . 1.0 . . . . . . . . . . . . A . 58 ZN ZN . . . . . . . . . rr_1bor 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_1bor _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 1bor.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1bor 1 1 1bor.mr . . XPLOR/CNS 2 distance NOE simple 196 rr_1bor 1 1 1bor.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 25 rr_1bor 1 1 1bor.mr . . XPLOR/CNS 4 distance 'general distance' simple 20 rr_1bor 1 1 1bor.mr . . n/a 5 comment 'Not applicable' 'Not applicable' 0 rr_1bor 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1bor _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1bor 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 4 4 PHE H H . . . 1 1 3 3 GLU HA H . . . . . 1.8 1.8 4.0 . . . . . A . 4 PHE H . . A . 3 GLU HA . . . 4 . HN . . . . . 3 . HA . . rr_1bor 1 2 1 . . 1 1 4 4 PHE HA H . . . 1 1 22 22 LEU HA H . . . . . 1.8 1.8 5.2 . . . . . A . 4 PHE HA . . A . 22 LEU HA . . . 4 . HA . . . . . 22 . HA . . rr_1bor 1 3 1 OR . 1 1 4 4 PHE HA H . . . 1 1 28 28 LEU MD1 H . . . . . 1.8 1.8 7.3 . . . . . A . 4 PHE HA . . A . 28 LEU MD1 . . . 4 . HA . . . . . 28 . HD* . . rr_1bor 1 3 2 OR . 1 1 4 4 PHE HA H . . . 1 1 28 28 LEU MD2 H . . . . . 1.8 1.8 7.3 . . . . . A . 4 PHE HA . . A . 28 LEU MD2 . . . 4 . HA . . . . . 28 . HD* . . rr_1bor 1 4 1 OR . 1 1 4 4 PHE CG C . . . 1 1 22 22 LEU MD1 H . . . . . 1.8 1.8 7.0 . . . . . A . 4 PHE CG . . A . 22 LEU MD1 . . . 4 . CG . . . . . 22 . HD* . . rr_1bor 1 4 2 OR . 1 1 4 4 PHE CG C . . . 1 1 22 22 LEU MD2 H . . . . . 1.8 1.8 7.0 . . . . . A . 4 PHE CG . . A . 22 LEU MD2 . . . 4 . CG . . . . . 22 . HD* . . rr_1bor 1 5 1 OR . 1 1 4 4 PHE CZ C . . . 1 1 6 6 PHE HB2 H . . . . . 1.8 1.8 7.1 . . . . . A . 4 PHE CZ . . A . 6 PHE HB2 . . . 4 . CZ . . . . . 6 . HB* . . rr_1bor 1 5 2 OR . 1 1 4 4 PHE CZ C . . . 1 1 6 6 PHE HB3 H . . . . . 1.8 1.8 7.1 . . . . . A . 4 PHE CZ . . A . 6 PHE HB3 . . . 4 . CZ . . . . . 6 . HB* . . rr_1bor 1 6 1 . . 1 1 4 4 PHE CG C . . . 1 1 23 23 PRO HA H . . . . . 1.8 1.8 7.0 . . . . . A . 4 PHE CG . . A . 23 PRO HA . . . 4 . CG . . . . . 23 . HA . . rr_1bor 1 7 1 . . 1 1 4 4 PHE CZ C . . . 1 1 25 25 LEU HG H . . . . . 1.8 1.8 7.0 . . . . . A . 4 PHE CZ . . A . 25 LEU HG . . . 4 . CZ . . . . . 25 . HG . . rr_1bor 1 8 1 . . 1 1 4 4 PHE HA H . . . 1 1 5 5 GLN H H . . . . . 1.8 1.8 6.0 . . . . . A . 4 PHE HA . . A . 5 GLN H . . . 4 . HA . . . . . 5 . HN . . rr_1bor 1 9 1 OR . 1 1 5 5 GLN HA H . . . 1 1 4 4 PHE HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 5 GLN HA . . A . 4 PHE HB2 . . . 5 . HA . . . . . 4 . HB* . . rr_1bor 1 9 2 OR . 1 1 5 5 GLN HA H . . . 1 1 4 4 PHE HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 5 GLN HA . . A . 4 PHE HB3 . . . 5 . HA . . . . . 4 . HB* . . rr_1bor 1 10 1 OR . 1 1 5 5 GLN H H . . . 1 1 22 22 LEU MD1 H . . . . . 1.8 1.8 5.5 . . . . . A . 5 GLN H . . A . 22 LEU MD1 . . . 5 . HN . . . . . 22 . HD* . . rr_1bor 1 10 2 OR . 1 1 22 22 LEU MD2 H . . . 1 1 5 5 GLN H H . . . . . 1.8 1.8 5.5 . . . . . A . 22 LEU MD2 . . A . 5 GLN H . . . 22 . HD* . . . . . 5 . HN . . rr_1bor 1 11 1 . . 1 1 5 5 GLN HA H . . . 1 1 6 6 PHE H H . . . . . 1.8 1.8 3.5 . . . . . A . 5 GLN HA . . A . 6 PHE H . . . 5 . HA . . . . . 6 . HN . . rr_1bor 1 12 1 OR . 1 1 6 6 PHE HZ H . . . 1 1 7 7 LEU MD1 H . . . . . 1.8 1.8 7.5 . . . . . A . 6 PHE HZ . . A . 7 LEU MD1 . . . 6 . HZ . . . . . 7 . HD* . . rr_1bor 1 12 2 OR . 1 1 6 6 PHE HZ H . . . 1 1 7 7 LEU MD2 H . . . . . 1.8 1.8 7.5 . . . . . A . 6 PHE HZ . . A . 7 LEU MD2 . . . 6 . HZ . . . . . 7 . HD* . . rr_1bor 1 13 1 . . 1 1 25 25 LEU HG H . . . 1 1 6 6 PHE HA H . . . . . 1.8 1.8 4.5 . . . . . A . 25 LEU HG . . A . 6 PHE HA . . . 25 . HG . . . . . 6 . HA . . rr_1bor 1 14 1 OR . 1 1 6 6 PHE HA H . . . 1 1 25 25 LEU MD1 H . . . . . 1.8 1.8 6.0 . . . . . A . 6 PHE HA . . A . 25 LEU MD1 . . . 6 . HA . . . . . 25 . HD* . . rr_1bor 1 14 2 OR . 1 1 6 6 PHE HA H . . . 1 1 25 25 LEU MD2 H . . . . . 1.8 1.8 6.0 . . . . . A . 6 PHE HA . . A . 25 LEU MD2 . . . 6 . HA . . . . . 25 . HD* . . rr_1bor 1 15 1 . . 1 1 6 6 PHE CG C . . . 1 1 16 16 ALA HA H . . . . . 1.8 1.8 7.0 . . . . . A . 6 PHE CG . . A . 16 ALA HA . . . 6 . CG . . . . . 16 . HA . . rr_1bor 1 16 1 OR . 1 1 6 6 PHE CZ C . . . 1 1 13 13 GLN HB2 H . . . . . 1.8 1.8 7.5 . . . . . A . 6 PHE CZ . . A . 13 GLN HB2 . . . 6 . CZ . . . . . 13 . HB* . . rr_1bor 1 16 2 OR . 1 1 6 6 PHE CZ C . . . 1 1 13 13 GLN HB3 H . . . . . 1.8 1.8 7.5 . . . . . A . 6 PHE CZ . . A . 13 GLN HB3 . . . 6 . CZ . . . . . 13 . HB* . . rr_1bor 1 17 1 OR . 1 1 6 6 PHE HB3 H . . . 1 1 7 7 LEU MD1 H . . . . . 1.8 1.8 7.0 . . . . . A . 6 PHE HB3 . . A . 7 LEU MD1 . . . 6 . HB* . . . . . 7 . HD* . . rr_1bor 1 17 2 OR . 1 1 6 6 PHE HB2 H . . . 1 1 7 7 LEU MD1 H . . . . . 1.8 1.8 7.0 . . . . . A . 6 PHE HB2 . . A . 7 LEU MD1 . . . 6 . HB* . . . . . 7 . HD* . . rr_1bor 1 17 3 OR . 1 1 7 7 LEU MD2 H . . . 1 1 6 6 PHE HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 7 LEU MD2 . . A . 6 PHE HB2 . . . 7 . HD* . . . . . 6 . HB* . . rr_1bor 1 17 4 OR . 1 1 6 6 PHE HB3 H . . . 1 1 7 7 LEU MD2 H . . . . . 1.8 1.8 7.0 . . . . . A . 6 PHE HB3 . . A . 7 LEU MD2 . . . 6 . HB* . . . . . 7 . HD* . . rr_1bor 1 18 1 OR . 1 1 27 27 THR HB H . . . 1 1 6 6 PHE HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 27 THR HB . . A . 6 PHE HB2 . . . 27 . HB . . . . . 6 . HB* . . rr_1bor 1 18 2 OR . 1 1 6 6 PHE HB3 H . . . 1 1 27 27 THR HB H . . . . . 1.8 1.8 6.0 . . . . . A . 6 PHE HB3 . . A . 27 THR HB . . . 6 . HB* . . . . . 27 . HB . . rr_1bor 1 19 1 OR . 1 1 5 5 GLN HA H . . . 1 1 6 6 PHE HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 5 GLN HA . . A . 6 PHE HB2 . . . 5 . HA . . . . . 6 . HB* . . rr_1bor 1 19 2 OR . 1 1 6 6 PHE HB3 H . . . 1 1 5 5 GLN HA H . . . . . 1.8 1.8 6.5 . . . . . A . 6 PHE HB3 . . A . 5 GLN HA . . . 6 . HB* . . . . . 5 . HA . . rr_1bor 1 20 1 OR . 1 1 6 6 PHE CZ C . . . 1 1 8 8 ARG HD2 H . . . . . 1.8 1.8 6.0 . . . . . A . 6 PHE CZ . . A . 8 ARG HD2 . . . 6 . CZ . . . . . 8 . HD* . . rr_1bor 1 20 2 OR . 1 1 6 6 PHE CZ C . . . 1 1 8 8 ARG HD3 H . . . . . 1.8 1.8 6.0 . . . . . A . 6 PHE CZ . . A . 8 ARG HD3 . . . 6 . CZ . . . . . 8 . HD* . . rr_1bor 1 21 1 . . 1 1 6 6 PHE HA H . . . 1 1 7 7 LEU H H . . . . . 1.8 1.8 5.0 . . . . . A . 6 PHE HA . . A . 7 LEU H . . . 6 . HA . . . . . 7 . HN . . rr_1bor 1 22 1 OR . 1 1 7 7 LEU H H . . . 1 1 6 6 PHE HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 7 LEU H . . A . 6 PHE HB2 . . . 7 . HN . . . . . 6 . HB* . . rr_1bor 1 22 2 OR . 1 1 6 6 PHE HB3 H . . . 1 1 7 7 LEU H H . . . . . 1.8 1.8 6.0 . . . . . A . 6 PHE HB3 . . A . 7 LEU H . . . 6 . HB* . . . . . 7 . HN . . rr_1bor 1 23 1 OR . 1 1 7 7 LEU H H . . . 1 1 13 13 GLN HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 7 LEU H . . A . 13 GLN HB2 . . . 7 . HN . . . . . 13 . HB* . . rr_1bor 1 23 2 OR . 1 1 13 13 GLN HB3 H . . . 1 1 7 7 LEU H H . . . . . 1.8 1.8 6.0 . . . . . A . 13 GLN HB3 . . A . 7 LEU H . . . 13 . HB* . . . . . 7 . HN . . rr_1bor 1 24 1 . . 1 1 8 8 ARG H H . . . 1 1 7 7 LEU HA H . . . . . 1.8 1.8 5.0 . . . . . A . 8 ARG H . . A . 7 LEU HA . . . 8 . HN . . . . . 7 . HA . . rr_1bor 1 25 1 OR . 1 1 8 8 ARG H H . . . 1 1 7 7 LEU MD1 H . . . . . 1.8 1.8 5.5 . . . . . A . 8 ARG H . . A . 7 LEU MD1 . . . 8 . HN . . . . . 7 . HD* . . rr_1bor 1 25 2 OR . 1 1 7 7 LEU MD2 H . . . 1 1 8 8 ARG H H . . . . . 1.8 1.8 5.5 . . . . . A . 7 LEU MD2 . . A . 8 ARG H . . . 7 . HD* . . . . . 8 . HN . . rr_1bor 1 26 1 OR . 1 1 8 8 ARG HD3 H . . . 1 1 13 13 GLN HG2 H . . . . . 1.8 1.8 7.0 . . . . . A . 8 ARG HD3 . . A . 13 GLN HG2 . . . 8 . HD* . . . . . 13 . HG* . . rr_1bor 1 26 2 OR . 1 1 8 8 ARG HD2 H . . . 1 1 13 13 GLN HG2 H . . . . . 1.8 1.8 7.0 . . . . . A . 8 ARG HD2 . . A . 13 GLN HG2 . . . 8 . HD* . . . . . 13 . HG* . . rr_1bor 1 26 3 OR . 1 1 13 13 GLN HG3 H . . . 1 1 8 8 ARG HD2 H . . . . . 1.8 1.8 7.0 . . . . . A . 13 GLN HG3 . . A . 8 ARG HD2 . . . 13 . HG* . . . . . 8 . HD* . . rr_1bor 1 26 4 OR . 1 1 8 8 ARG HD3 H . . . 1 1 13 13 GLN HG3 H . . . . . 1.8 1.8 7.0 . . . . . A . 8 ARG HD3 . . A . 13 GLN HG3 . . . 8 . HD* . . . . . 13 . HG* . . rr_1bor 1 27 1 . . 1 1 9 9 CYS HA H . . . 1 1 29 29 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 9 CYS HA . . A . 29 CYS HA . . . 9 . HA . . . . . 29 . HA . . rr_1bor 1 28 1 . . 1 1 9 9 CYS HA H . . . 1 1 13 13 GLN HA H . . . . . 1.8 1.8 5.0 . . . . . A . 9 CYS HA . . A . 13 GLN HA . . . 9 . HA . . . . . 13 . HA . . rr_1bor 1 29 1 OR . 1 1 9 9 CYS HA H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 CYS HA . . A . 28 LEU HB2 . . . 9 . HA . . . . . 28 . HB* . . rr_1bor 1 29 2 OR . 1 1 9 9 CYS HA H . . . 1 1 28 28 LEU HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 9 CYS HA . . A . 28 LEU HB3 . . . 9 . HA . . . . . 28 . HB* . . rr_1bor 1 30 1 OR . 1 1 13 13 GLN HA H . . . 1 1 9 9 CYS HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 13 GLN HA . . A . 9 CYS HB2 . . . 13 . HA . . . . . 9 . HB* . . rr_1bor 1 30 2 OR . 1 1 13 13 GLN HA H . . . 1 1 9 9 CYS HB3 H . . . . . 1.8 1.8 6.5 . . . . . A . 13 GLN HA . . A . 9 CYS HB3 . . . 13 . HA . . . . . 9 . HB* . . rr_1bor 1 31 1 OR . 1 1 9 9 CYS HA H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 9 CYS HA . . A . 29 CYS HB2 . . . 9 . HA . . . . . 29 . HB* . . rr_1bor 1 31 2 OR . 1 1 9 9 CYS HA H . . . 1 1 29 29 CYS HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 9 CYS HA . . A . 29 CYS HB3 . . . 9 . HA . . . . . 29 . HB* . . rr_1bor 1 32 1 OR . 1 1 9 9 CYS HB2 H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 9 CYS HB2 . . A . 29 CYS HB2 . . . 9 . HB* . . . . . 29 . HB* . . rr_1bor 1 32 2 OR . 1 1 9 9 CYS HB3 H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 9 CYS HB3 . . A . 29 CYS HB2 . . . 9 . HB* . . . . . 29 . HB* . . rr_1bor 1 32 3 OR . 1 1 29 29 CYS HB3 H . . . 1 1 9 9 CYS HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 29 CYS HB3 . . A . 9 CYS HB2 . . . 29 . HB* . . . . . 9 . HB* . . rr_1bor 1 32 4 OR . 1 1 9 9 CYS HB3 H . . . 1 1 29 29 CYS HB3 H . . . . . 1.8 1.8 7.0 . . . . . A . 9 CYS HB3 . . A . 29 CYS HB3 . . . 9 . HB* . . . . . 29 . HB* . . rr_1bor 1 33 1 . . 1 1 29 29 CYS HA H . . . 1 1 10 10 GLN H H . . . . . 1.8 1.8 5.0 . . . . . A . 29 CYS HA . . A . 10 GLN H . . . 29 . HA . . . . . 10 . HN . . rr_1bor 1 34 1 . . 1 1 10 10 GLN HA H . . . 1 1 33 33 LEU HA H . . . . . 1.8 1.8 5.4 . . . . . A . 10 GLN HA . . A . 33 LEU HA . . . 10 . HA . . . . . 33 . HA . . rr_1bor 1 35 1 OR . 1 1 10 10 GLN HA H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 6.2 . . . . . A . 10 GLN HA . . A . 29 CYS HB2 . . . 10 . HA . . . . . 29 . HB* . . rr_1bor 1 35 2 OR . 1 1 29 29 CYS HB3 H . . . 1 1 10 10 GLN HA H . . . . . 1.8 1.8 6.2 . . . . . A . 29 CYS HB3 . . A . 10 GLN HA . . . 29 . HB* . . . . . 10 . HA . . rr_1bor 1 36 1 OR . 1 1 10 10 GLN HA H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 4.0 . . . . . A . 10 GLN HA . . A . 28 LEU HB2 . . . 10 . HA . . . . . 28 . HB* . . rr_1bor 1 36 2 OR . 1 1 28 28 LEU HB3 H . . . 1 1 10 10 GLN HA H . . . . . 1.8 1.8 4.0 . . . . . A . 28 LEU HB3 . . A . 10 GLN HA . . . 28 . HB* . . . . . 10 . HA . . rr_1bor 1 37 1 OR . 1 1 10 10 GLN HB2 H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 10 GLN HB2 . . A . 29 CYS HB2 . . . 10 . HB* . . . . . 29 . HB* . . rr_1bor 1 37 2 OR . 1 1 10 10 GLN HB3 H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 10 GLN HB3 . . A . 29 CYS HB2 . . . 10 . HB* . . . . . 29 . HB* . . rr_1bor 1 37 3 OR . 1 1 29 29 CYS HB3 H . . . 1 1 10 10 GLN HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 29 CYS HB3 . . A . 10 GLN HB2 . . . 29 . HB* . . . . . 10 . HB* . . rr_1bor 1 37 4 OR . 1 1 29 29 CYS HB3 H . . . 1 1 10 10 GLN HB3 H . . . . . 1.8 1.8 6.5 . . . . . A . 29 CYS HB3 . . A . 10 GLN HB3 . . . 29 . HB* . . . . . 10 . HB* . . rr_1bor 1 38 1 . . 1 1 10 10 GLN HA H . . . 1 1 11 11 GLN H H . . . . . 1.8 1.8 3.8 . . . . . A . 10 GLN HA . . A . 11 GLN H . . . 10 . HA . . . . . 11 . HN . . rr_1bor 1 39 1 OR . 1 1 11 11 GLN H H . . . 1 1 10 10 GLN HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 11 GLN H . . A . 10 GLN HB2 . . . 11 . HN . . . . . 10 . HB* . . rr_1bor 1 39 2 OR . 1 1 10 10 GLN HB3 H . . . 1 1 11 11 GLN H H . . . . . 1.8 1.8 5.5 . . . . . A . 10 GLN HB3 . . A . 11 GLN H . . . 10 . HB* . . . . . 11 . HN . . rr_1bor 1 40 1 OR . 1 1 11 11 GLN H H . . . 1 1 33 33 LEU MD1 H . . . . . 1.8 1.8 6.5 . . . . . A . 11 GLN H . . A . 33 LEU MD1 . . . 11 . HN . . . . . 33 . HD* . . rr_1bor 1 40 2 OR . 1 1 11 11 GLN H H . . . 1 1 33 33 LEU MD2 H . . . . . 1.8 1.8 6.5 . . . . . A . 11 GLN H . . A . 33 LEU MD2 . . . 11 . HN . . . . . 33 . HD* . . rr_1bor 1 41 1 . . 1 1 13 13 GLN H H . . . 1 1 12 12 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 13 GLN H . . A . 12 CYS HA . . . 13 . HN . . . . . 12 . HA . . rr_1bor 1 42 1 OR . 1 1 13 13 GLN H H . . . 1 1 12 12 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 13 GLN H . . A . 12 CYS HB2 . . . 13 . HN . . . . . 12 . HB* . . rr_1bor 1 42 2 OR . 1 1 13 13 GLN H H . . . 1 1 12 12 CYS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 13 GLN H . . A . 12 CYS HB3 . . . 13 . HN . . . . . 12 . HB* . . rr_1bor 1 43 1 . . 1 1 13 13 GLN HA H . . . 1 1 14 14 ALA H H . . . . . 1.8 1.8 3.0 . . . . . A . 13 GLN HA . . A . 14 ALA H . . . 13 . HA . . . . . 14 . HN . . rr_1bor 1 44 1 . . 1 1 15 15 GLU H H . . . 1 1 14 14 ALA HA H . . . . . 1.8 1.8 5.0 . . . . . A . 15 GLU H . . A . 14 ALA HA . . . 15 . HN . . . . . 14 . HA . . rr_1bor 1 45 1 . . 1 1 15 15 GLU H H . . . 1 1 17 17 LYS H H . . . . . 1.8 1.8 6.0 . . . . . A . 15 GLU H . . A . 17 LYS H . . . 15 . HN . . . . . 17 . HN . . rr_1bor 1 46 1 . . 1 1 15 15 GLU HA H . . . 1 1 8 8 ARG HA H . . . . . 1.8 1.8 8.0 . . . . . A . 15 GLU HA . . A . 8 ARG HA . . . 15 . HA . . . . . 8 . HA . . rr_1bor 1 47 1 . . 1 1 15 15 GLU HA H . . . 1 1 16 16 ALA H H . . . . . 1.8 1.8 4.0 . . . . . A . 15 GLU HA . . A . 16 ALA H . . . 15 . HA . . . . . 16 . HN . . rr_1bor 1 48 1 OR . 1 1 16 16 ALA H H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 16 ALA H . . A . 29 CYS HB2 . . . 16 . HN . . . . . 29 . HB* . . rr_1bor 1 48 2 OR . 1 1 29 29 CYS HB3 H . . . 1 1 16 16 ALA H H . . . . . 1.8 1.8 7.0 . . . . . A . 29 CYS HB3 . . A . 16 ALA H . . . 29 . HB* . . . . . 16 . HN . . rr_1bor 1 49 1 . . 1 1 18 18 CYS H H . . . 1 1 17 17 LYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS H . . A . 17 LYS HA . . . 18 . HN . . . . . 17 . HA . . rr_1bor 1 50 1 OR . 1 1 18 18 CYS H H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 18 CYS H . . A . 28 LEU HB2 . . . 18 . HN . . . . . 28 . HB* . . rr_1bor 1 50 2 OR . 1 1 28 28 LEU HB3 H . . . 1 1 18 18 CYS H H . . . . . 1.8 1.8 5.5 . . . . . A . 28 LEU HB3 . . A . 18 CYS H . . . 28 . HB* . . . . . 18 . HN . . rr_1bor 1 51 1 OR . 1 1 18 18 CYS H H . . . 1 1 56 56 LEU MD1 H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS H . . A . 56 LEU MD1 . . . 18 . HN . . . . . 56 . HD* . . rr_1bor 1 51 2 OR . 1 1 18 18 CYS H H . . . 1 1 56 56 LEU MD2 H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS H . . A . 56 LEU MD2 . . . 18 . HN . . . . . 56 . HD* . . rr_1bor 1 52 1 OR . 1 1 18 18 CYS H H . . . 1 1 28 28 LEU MD1 H . . . . . 1.8 1.8 6.9 . . . . . A . 18 CYS H . . A . 28 LEU MD1 . . . 18 . HN . . . . . 28 . HD* . . rr_1bor 1 52 2 OR . 1 1 28 28 LEU MD2 H . . . 1 1 18 18 CYS H H . . . . . 1.8 1.8 6.9 . . . . . A . 28 LEU MD2 . . A . 18 CYS H . . . 28 . HD* . . . . . 18 . HN . . rr_1bor 1 53 1 . . 1 1 29 29 CYS HA H . . . 1 1 18 18 CYS HA H . . . . . 1.8 1.8 4.0 . . . . . A . 29 CYS HA . . A . 18 CYS HA . . . 29 . HA . . . . . 18 . HA . . rr_1bor 1 54 1 OR . 1 1 18 18 CYS HA H . . . 1 1 56 56 LEU MD1 H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS HA . . A . 56 LEU MD1 . . . 18 . HA . . . . . 56 . HD* . . rr_1bor 1 54 2 OR . 1 1 56 56 LEU MD2 H . . . 1 1 18 18 CYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 56 LEU MD2 . . A . 18 CYS HA . . . 56 . HD* . . . . . 18 . HA . . rr_1bor 1 55 1 OR . 1 1 18 18 CYS HB3 H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 18 CYS HB3 . . A . 28 LEU HB2 . . . 18 . HB* . . . . . 28 . HB* . . rr_1bor 1 55 2 OR . 1 1 18 18 CYS HB2 H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 18 CYS HB2 . . A . 28 LEU HB2 . . . 18 . HB* . . . . . 28 . HB* . . rr_1bor 1 55 3 OR . 1 1 28 28 LEU HB3 H . . . 1 1 18 18 CYS HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 28 LEU HB3 . . A . 18 CYS HB2 . . . 28 . HB* . . . . . 18 . HB* . . rr_1bor 1 55 4 OR . 1 1 28 28 LEU HB3 H . . . 1 1 18 18 CYS HB3 H . . . . . 1.8 1.8 7.0 . . . . . A . 28 LEU HB3 . . A . 18 CYS HB3 . . . 28 . HB* . . . . . 18 . HB* . . rr_1bor 1 56 1 OR . 1 1 20 20 LYS H H . . . 1 1 56 56 LEU MD1 H . . . . . 1.8 1.8 6.0 . . . . . A . 20 LYS H . . A . 56 LEU MD1 . . . 20 . HN . . . . . 56 . HD* . . rr_1bor 1 56 2 OR . 1 1 56 56 LEU MD2 H . . . 1 1 20 20 LYS H H . . . . . 1.8 1.8 6.0 . . . . . A . 56 LEU MD2 . . A . 20 LYS H . . . 56 . HD* . . . . . 20 . HN . . rr_1bor 1 57 1 . . 1 1 20 20 LYS QZ H . . . 1 1 26 26 HIS HA H . . . . . 1.8 1.8 6.5 . . . . . A . 20 LYS QZ . . A . 26 HIS HA . . . 20 . HZ* . . . . . 26 . HA . . rr_1bor 1 58 1 . . 1 1 20 20 LYS QZ H . . . 1 1 26 26 HIS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 20 LYS QZ . . A . 26 HIS HB2 . . . 20 . HZ* . . . . . 26 . HB2 . . rr_1bor 1 59 1 . . 1 1 20 20 LYS QZ H . . . 1 1 26 26 HIS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 20 LYS QZ . . A . 26 HIS HB3 . . . 20 . HZ* . . . . . 26 . HB1 . . rr_1bor 1 60 1 OR . 1 1 19 19 PRO HD3 H . . . 1 1 20 20 LYS HG3 H . . . . . 1.8 1.8 7.0 . . . . . A . 19 PRO HD3 . . A . 20 LYS HG3 . . . 19 . HD* . . . . . 20 . HG* . . rr_1bor 1 60 2 OR . 1 1 19 19 PRO HD2 H . . . 1 1 20 20 LYS HG3 H . . . . . 1.8 1.8 7.0 . . . . . A . 19 PRO HD2 . . A . 20 LYS HG3 . . . 19 . HD* . . . . . 20 . HG* . . rr_1bor 1 60 3 OR . 1 1 20 20 LYS HG2 H . . . 1 1 19 19 PRO HD2 H . . . . . 1.8 1.8 7.0 . . . . . A . 20 LYS HG2 . . A . 19 PRO HD2 . . . 20 . HG* . . . . . 19 . HD* . . rr_1bor 1 60 4 OR . 1 1 20 20 LYS HG2 H . . . 1 1 19 19 PRO HD3 H . . . . . 1.8 1.8 7.0 . . . . . A . 20 LYS HG2 . . A . 19 PRO HD3 . . . 20 . HG* . . . . . 19 . HD* . . rr_1bor 1 61 1 . . 1 1 21 21 LEU H H . . . 1 1 20 20 LYS HA H . . . . . 1.8 1.8 5.0 . . . . . A . 21 LEU H . . A . 20 LYS HA . . . 21 . HN . . . . . 20 . HA . . rr_1bor 1 62 1 OR . 1 1 21 21 LEU HA H . . . 1 1 54 54 PRO HD2 H . . . . . 1.8 1.8 6.0 . . . . . A . 21 LEU HA . . A . 54 PRO HD2 . . . 21 . HA . . . . . 54 . HD* . . rr_1bor 1 62 2 OR . 1 1 21 21 LEU HA H . . . 1 1 54 54 PRO HD3 H . . . . . 1.8 1.8 6.0 . . . . . A . 21 LEU HA . . A . 54 PRO HD3 . . . 21 . HA . . . . . 54 . HD* . . rr_1bor 1 63 1 OR . 1 1 21 21 LEU HB2 H . . . 1 1 26 26 HIS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 LEU HB2 . . A . 26 HIS HB3 . . . 21 . HB* . . . . . 26 . HB* . . rr_1bor 1 63 2 OR . 1 1 21 21 LEU HB3 H . . . 1 1 26 26 HIS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 LEU HB3 . . A . 26 HIS HB3 . . . 21 . HB* . . . . . 26 . HB* . . rr_1bor 1 63 3 OR . 1 1 26 26 HIS HB2 H . . . 1 1 21 21 LEU HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 26 HIS HB2 . . A . 21 LEU HB2 . . . 26 . HB* . . . . . 21 . HB* . . rr_1bor 1 63 4 OR . 1 1 21 21 LEU HB3 H . . . 1 1 26 26 HIS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 LEU HB3 . . A . 26 HIS HB2 . . . 21 . HB* . . . . . 26 . HB* . . rr_1bor 1 64 1 OR . 1 1 20 20 LYS HE3 H . . . 1 1 21 21 LEU HB2 H . . . . . 1.8 1.8 7.5 . . . . . A . 20 LYS HE3 . . A . 21 LEU HB2 . . . 20 . HE* . . . . . 21 . HB* . . rr_1bor 1 64 2 OR . 1 1 20 20 LYS HE2 H . . . 1 1 21 21 LEU HB2 H . . . . . 1.8 1.8 7.5 . . . . . A . 20 LYS HE2 . . A . 21 LEU HB2 . . . 20 . HE* . . . . . 21 . HB* . . rr_1bor 1 64 3 OR . 1 1 21 21 LEU HB3 H . . . 1 1 20 20 LYS HE2 H . . . . . 1.8 1.8 7.5 . . . . . A . 21 LEU HB3 . . A . 20 LYS HE2 . . . 21 . HB* . . . . . 20 . HE* . . rr_1bor 1 64 4 OR . 1 1 21 21 LEU HB3 H . . . 1 1 20 20 LYS HE3 H . . . . . 1.8 1.8 7.5 . . . . . A . 21 LEU HB3 . . A . 20 LYS HE3 . . . 21 . HB* . . . . . 20 . HE* . . rr_1bor 1 65 1 . . 1 1 21 21 LEU HA H . . . 1 1 22 22 LEU H H . . . . . 1.8 1.8 4.0 . . . . . A . 21 LEU HA . . A . 22 LEU H . . . 21 . HA . . . . . 22 . HN . . rr_1bor 1 66 1 . . 1 1 22 22 LEU HA H . . . 1 1 51 51 ALA H H . . . . . 1.8 1.8 5.3 . . . . . A . 22 LEU HA . . A . 51 ALA H . . . 22 . HA . . . . . 51 . HN . . rr_1bor 1 67 1 OR . 1 1 27 27 THR H H . . . 1 1 22 22 LEU MD1 H . . . . . 1.8 1.8 6.7 . . . . . A . 27 THR H . . A . 22 LEU MD1 . . . 27 . HN . . . . . 22 . HD* . . rr_1bor 1 67 2 OR . 1 1 22 22 LEU MD2 H . . . 1 1 27 27 THR H H . . . . . 1.8 1.8 6.7 . . . . . A . 22 LEU MD2 . . A . 27 THR H . . . 22 . HD* . . . . . 27 . HN . . rr_1bor 1 68 1 OR . 1 1 7 7 LEU HA H . . . 1 1 22 22 LEU MD1 H . . . . . 1.8 1.8 5.0 . . . . . A . 7 LEU HA . . A . 22 LEU MD1 . . . 7 . HA . . . . . 22 . HD* . . rr_1bor 1 68 2 OR . 1 1 22 22 LEU MD2 H . . . 1 1 7 7 LEU HA H . . . . . 1.8 1.8 5.0 . . . . . A . 22 LEU MD2 . . A . 7 LEU HA . . . 22 . HD* . . . . . 7 . HA . . rr_1bor 1 69 1 . . 1 1 24 24 CYS H H . . . 1 1 23 23 PRO HD3 H . . . . . 1.8 1.8 5.0 . . . . . A . 24 CYS H . . A . 23 PRO HD3 . . . 24 . HN . . . . . 23 . HD1 . . rr_1bor 1 70 1 OR . 1 1 24 24 CYS HA H . . . 1 1 23 23 PRO HD3 H . . . . . 1.8 1.8 6.0 . . . . . A . 24 CYS HA . . A . 23 PRO HD3 . . . 24 . HA . . . . . 23 . HD* . . rr_1bor 1 70 2 OR . 1 1 23 23 PRO HD2 H . . . 1 1 24 24 CYS HA H . . . . . 1.8 1.8 6.0 . . . . . A . 23 PRO HD2 . . A . 24 CYS HA . . . 23 . HD* . . . . . 24 . HA . . rr_1bor 1 71 1 OR . 1 1 23 23 PRO HA H . . . 1 1 4 4 PHE HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 23 PRO HA . . A . 4 PHE HB2 . . . 23 . HA . . . . . 4 . HB* . . rr_1bor 1 71 2 OR . 1 1 23 23 PRO HA H . . . 1 1 4 4 PHE HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 23 PRO HA . . A . 4 PHE HB3 . . . 23 . HA . . . . . 4 . HB* . . rr_1bor 1 72 1 . . 1 1 24 24 CYS H H . . . 1 1 23 23 PRO HD2 H . . . . . 1.8 1.8 5.0 . . . . . A . 24 CYS H . . A . 23 PRO HD2 . . . 24 . HN . . . . . 23 . HD2 . . rr_1bor 1 73 1 OR . 1 1 21 21 LEU HB2 H . . . 1 1 23 23 PRO HD3 H . . . . . 1.8 1.8 7.0 . . . . . A . 21 LEU HB2 . . A . 23 PRO HD3 . . . 21 . HB* . . . . . 23 . HD* . . rr_1bor 1 73 2 OR . 1 1 21 21 LEU HB3 H . . . 1 1 23 23 PRO HD3 H . . . . . 1.8 1.8 7.0 . . . . . A . 21 LEU HB3 . . A . 23 PRO HD3 . . . 21 . HB* . . . . . 23 . HD* . . rr_1bor 1 73 3 OR . 1 1 23 23 PRO HD2 H . . . 1 1 21 21 LEU HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 23 PRO HD2 . . A . 21 LEU HB2 . . . 23 . HD* . . . . . 21 . HB* . . rr_1bor 1 73 4 OR . 1 1 21 21 LEU HB3 H . . . 1 1 23 23 PRO HD2 H . . . . . 1.8 1.8 7.0 . . . . . A . 21 LEU HB3 . . A . 23 PRO HD2 . . . 21 . HB* . . . . . 23 . HD* . . rr_1bor 1 74 1 OR . 1 1 24 24 CYS H H . . . 1 1 26 26 HIS HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 24 CYS H . . A . 26 HIS HB3 . . . 24 . HN . . . . . 26 . HB* . . rr_1bor 1 74 2 OR . 1 1 26 26 HIS HB2 H . . . 1 1 24 24 CYS H H . . . . . 1.8 1.8 5.0 . . . . . A . 26 HIS HB2 . . A . 24 CYS H . . . 26 . HB* . . . . . 24 . HN . . rr_1bor 1 75 1 OR . 1 1 24 24 CYS HA H . . . 1 1 26 26 HIS HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 24 CYS HA . . A . 26 HIS HB3 . . . 24 . HA . . . . . 26 . HB* . . rr_1bor 1 75 2 OR . 1 1 26 26 HIS HB2 H . . . 1 1 24 24 CYS HA H . . . . . 1.8 1.8 6.0 . . . . . A . 26 HIS HB2 . . A . 24 CYS HA . . . 26 . HB* . . . . . 24 . HA . . rr_1bor 1 76 1 OR . 1 1 24 24 CYS HA H . . . 1 1 40 40 CYS HB2 H . . . . . 1.8 1.8 6.1 . . . . . A . 24 CYS HA . . A . 40 CYS HB2 . . . 24 . HA . . . . . 40 . HB* . . rr_1bor 1 76 2 OR . 1 1 24 24 CYS HA H . . . 1 1 40 40 CYS HB3 H . . . . . 1.8 1.8 6.1 . . . . . A . 24 CYS HA . . A . 40 CYS HB3 . . . 24 . HA . . . . . 40 . HB* . . rr_1bor 1 77 1 . . 1 1 4 4 PHE HA H . . . 1 1 25 25 LEU HG H . . . . . 1.8 1.8 4.5 . . . . . A . 4 PHE HA . . A . 25 LEU HG . . . 4 . HA . . . . . 25 . HG . . rr_1bor 1 78 1 OR . 1 1 25 25 LEU HG H . . . 1 1 4 4 PHE HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 25 LEU HG . . A . 4 PHE HB2 . . . 25 . HG . . . . . 4 . HB* . . rr_1bor 1 78 2 OR . 1 1 25 25 LEU HG H . . . 1 1 4 4 PHE HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 25 LEU HG . . A . 4 PHE HB3 . . . 25 . HG . . . . . 4 . HB* . . rr_1bor 1 79 1 . . 1 1 25 25 LEU HG H . . . 1 1 6 6 PHE HA H . . . . . 1.8 1.8 6.0 . . . . . A . 25 LEU HG . . A . 6 PHE HA . . . 25 . HG . . . . . 6 . HA . . rr_1bor 1 80 1 OR . 1 1 39 39 GLN HA H . . . 1 1 25 25 LEU MD1 H . . . . . 1.8 1.8 6.0 . . . . . A . 39 GLN HA . . A . 25 LEU MD1 . . . 39 . HA . . . . . 25 . HD* . . rr_1bor 1 80 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 39 39 GLN HA H . . . . . 1.8 1.8 6.0 . . . . . A . 25 LEU MD2 . . A . 39 GLN HA . . . 25 . HD* . . . . . 39 . HA . . rr_1bor 1 81 1 OR . 1 1 38 38 MET H H . . . 1 1 25 25 LEU MD1 H . . . . . 1.8 1.8 6.0 . . . . . A . 38 MET H . . A . 25 LEU MD1 . . . 38 . HN . . . . . 25 . HD* . . rr_1bor 1 81 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 38 38 MET H H . . . . . 1.8 1.8 6.0 . . . . . A . 25 LEU MD2 . . A . 38 MET H . . . 25 . HD* . . . . . 38 . HN . . rr_1bor 1 82 1 . . 1 1 25 25 LEU HG H . . . 1 1 27 27 THR HB H . . . . . 1.8 1.8 6.0 . . . . . A . 25 LEU HG . . A . 27 THR HB . . . 25 . HG . . . . . 27 . HB . . rr_1bor 1 83 1 OR . 1 1 25 25 LEU HG H . . . 1 1 5 5 GLN HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 25 LEU HG . . A . 5 GLN HB2 . . . 25 . HG . . . . . 5 . HB* . . rr_1bor 1 83 2 OR . 1 1 25 25 LEU HG H . . . 1 1 5 5 GLN HB3 H . . . . . 1.8 1.8 6.5 . . . . . A . 25 LEU HG . . A . 5 GLN HB3 . . . 25 . HG . . . . . 5 . HB* . . rr_1bor 1 84 1 . . 1 1 26 26 HIS H H . . . 1 1 25 25 LEU HA H . . . . . 1.8 1.8 3.8 . . . . . A . 26 HIS H . . A . 25 LEU HA . . . 26 . HN . . . . . 25 . HA . . rr_1bor 1 85 1 OR . 1 1 26 26 HIS H H . . . 1 1 25 25 LEU MD1 H . . . . . 1.8 1.8 5.5 . . . . . A . 26 HIS H . . A . 25 LEU MD1 . . . 26 . HN . . . . . 25 . HD* . . rr_1bor 1 85 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 26 26 HIS H H . . . . . 1.8 1.8 5.5 . . . . . A . 25 LEU MD2 . . A . 26 HIS H . . . 25 . HD* . . . . . 26 . HN . . rr_1bor 1 86 1 OR . 1 1 26 26 HIS HD2 H . . . 1 1 28 28 LEU MD1 H . . . . . 1.8 1.8 7.4 . . . . . A . 26 HIS HD2 . . A . 28 LEU MD1 . . . 26 . HD2 . . . . . 28 . HD* . . rr_1bor 1 86 2 OR . 1 1 28 28 LEU MD2 H . . . 1 1 26 26 HIS HD2 H . . . . . 1.8 1.8 7.4 . . . . . A . 28 LEU MD2 . . A . 26 HIS HD2 . . . 28 . HD* . . . . . 26 . HD2 . . rr_1bor 1 87 1 OR . 1 1 26 26 HIS HD2 H . . . 1 1 43 43 CYS HB2 H . . . . . 1.8 1.8 4.5 . . . . . A . 26 HIS HD2 . . A . 43 CYS HB2 . . . 26 . HD2 . . . . . 43 . HB* . . rr_1bor 1 87 2 OR . 1 1 26 26 HIS HD2 H . . . 1 1 43 43 CYS HB3 H . . . . . 1.8 1.8 4.5 . . . . . A . 26 HIS HD2 . . A . 43 CYS HB3 . . . 26 . HD2 . . . . . 43 . HB* . . rr_1bor 1 88 1 OR . 1 1 26 26 HIS HD2 H . . . 1 1 47 47 TRP HB2 H . . . . . 1.8 1.8 5.7 . . . . . A . 26 HIS HD2 . . A . 47 TRP HB2 . . . 26 . HD2 . . . . . 47 . HB* . . rr_1bor 1 88 2 OR . 1 1 26 26 HIS HD2 H . . . 1 1 47 47 TRP HB3 H . . . . . 1.8 1.8 5.7 . . . . . A . 26 HIS HD2 . . A . 47 TRP HB3 . . . 26 . HD2 . . . . . 47 . HB* . . rr_1bor 1 89 1 . . 1 1 26 26 HIS HD2 H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 6.1 . . . . . A . 26 HIS HD2 . . A . 28 LEU HB2 . . . 26 . HD2 . . . . . 28 . HB2 . . rr_1bor 1 90 1 . . 1 1 28 28 LEU HB3 H . . . 1 1 26 26 HIS HD2 H . . . . . 1.8 1.8 6.1 . . . . . A . 28 LEU HB3 . . A . 26 HIS HD2 . . . 28 . HB1 . . . . . 26 . HD2 . . rr_1bor 1 91 1 OR . 1 1 26 26 HIS HE1 H . . . 1 1 34 34 GLU HB3 H . . . . . 1.8 1.8 8.0 . . . . . A . 26 HIS HE1 . . A . 34 GLU HB3 . . . 26 . HE1 . . . . . 34 . HB* . . rr_1bor 1 91 2 OR . 1 1 26 26 HIS HE1 H . . . 1 1 34 34 GLU HB2 H . . . . . 1.8 1.8 8.0 . . . . . A . 26 HIS HE1 . . A . 34 GLU HB2 . . . 26 . HE1 . . . . . 34 . HB* . . rr_1bor 1 92 1 OR . 1 1 26 26 HIS HD2 H . . . 1 1 20 20 LYS HE2 H . . . . . 1.8 1.8 5.0 . . . . . A . 26 HIS HD2 . . A . 20 LYS HE2 . . . 26 . HD2 . . . . . 20 . HE* . . rr_1bor 1 92 2 OR . 1 1 20 20 LYS HE3 H . . . 1 1 26 26 HIS HD2 H . . . . . 1.8 1.8 5.0 . . . . . A . 20 LYS HE3 . . A . 26 HIS HD2 . . . 20 . HE* . . . . . 26 . HD2 . . rr_1bor 1 93 1 OR . 1 1 26 26 HIS HE1 H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 6.8 . . . . . A . 26 HIS HE1 . . A . 28 LEU HB2 . . . 26 . HE1 . . . . . 28 . HB* . . rr_1bor 1 93 2 OR . 1 1 28 28 LEU HB3 H . . . 1 1 26 26 HIS HE1 H . . . . . 1.8 1.8 6.8 . . . . . A . 28 LEU HB3 . . A . 26 HIS HE1 . . . 28 . HB* . . . . . 26 . HE1 . . rr_1bor 1 94 1 OR . 1 1 26 26 HIS HD2 H . . . 1 1 40 40 CYS HB2 H . . . . . 1.8 1.8 5.8 . . . . . A . 26 HIS HD2 . . A . 40 CYS HB2 . . . 26 . HD2 . . . . . 40 . HB* . . rr_1bor 1 94 2 OR . 1 1 40 40 CYS HB3 H . . . 1 1 26 26 HIS HD2 H . . . . . 1.8 1.8 5.8 . . . . . A . 40 CYS HB3 . . A . 26 HIS HD2 . . . 40 . HB* . . . . . 26 . HD2 . . rr_1bor 1 95 1 OR . 1 1 26 26 HIS H H . . . 1 1 20 20 LYS HE2 H . . . . . 1.8 1.8 6.0 . . . . . A . 26 HIS H . . A . 20 LYS HE2 . . . 26 . HN . . . . . 20 . HE* . . rr_1bor 1 95 2 OR . 1 1 20 20 LYS HE3 H . . . 1 1 26 26 HIS H H . . . . . 1.8 1.8 6.0 . . . . . A . 20 LYS HE3 . . A . 26 HIS H . . . 20 . HE* . . . . . 26 . HN . . rr_1bor 1 96 1 . . 1 1 28 28 LEU H H . . . 1 1 27 27 THR HA H . . . . . 1.8 1.8 3.5 . . . . . A . 28 LEU H . . A . 27 THR HA . . . 28 . HN . . . . . 27 . HA . . rr_1bor 1 97 1 . . 1 1 28 28 LEU H H . . . 1 1 29 29 CYS H H . . . . . 1.8 1.8 5.0 . . . . . A . 28 LEU H . . A . 29 CYS H . . . 28 . HN . . . . . 29 . HN . . rr_1bor 1 98 1 OR . 1 1 28 28 LEU HB3 H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 28 LEU HB3 . . A . 29 CYS HB2 . . . 28 . HB* . . . . . 29 . HB* . . rr_1bor 1 98 2 OR . 1 1 28 28 LEU HB2 H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 28 LEU HB2 . . A . 29 CYS HB2 . . . 28 . HB* . . . . . 29 . HB* . . rr_1bor 1 98 3 OR . 1 1 29 29 CYS HB3 H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 29 CYS HB3 . . A . 28 LEU HB2 . . . 29 . HB* . . . . . 28 . HB* . . rr_1bor 1 98 4 OR . 1 1 28 28 LEU HB3 H . . . 1 1 29 29 CYS HB3 H . . . . . 1.8 1.8 6.5 . . . . . A . 28 LEU HB3 . . A . 29 CYS HB3 . . . 28 . HB* . . . . . 29 . HB* . . rr_1bor 1 99 1 OR . 1 1 8 8 ARG HB3 H . . . 1 1 28 28 LEU MD1 H . . . . . 1.8 1.8 7.9 . . . . . A . 8 ARG HB3 . . A . 28 LEU MD1 . . . 8 . HB* . . . . . 28 . HD* . . rr_1bor 1 99 2 OR . 1 1 8 8 ARG HB2 H . . . 1 1 28 28 LEU MD1 H . . . . . 1.8 1.8 7.9 . . . . . A . 8 ARG HB2 . . A . 28 LEU MD1 . . . 8 . HB* . . . . . 28 . HD* . . rr_1bor 1 99 3 OR . 1 1 28 28 LEU MD2 H . . . 1 1 8 8 ARG HB2 H . . . . . 1.8 1.8 7.9 . . . . . A . 28 LEU MD2 . . A . 8 ARG HB2 . . . 28 . HD* . . . . . 8 . HB* . . rr_1bor 1 99 4 OR . 1 1 28 28 LEU MD2 H . . . 1 1 8 8 ARG HB3 H . . . . . 1.8 1.8 7.9 . . . . . A . 28 LEU MD2 . . A . 8 ARG HB3 . . . 28 . HD* . . . . . 8 . HB* . . rr_1bor 1 100 1 OR . 1 1 10 10 GLN H H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 7.5 . . . . . A . 10 GLN H . . A . 28 LEU HB2 . . . 10 . HN . . . . . 28 . HB* . . rr_1bor 1 100 2 OR . 1 1 28 28 LEU HB3 H . . . 1 1 10 10 GLN H H . . . . . 1.8 1.8 7.5 . . . . . A . 28 LEU HB3 . . A . 10 GLN H . . . 28 . HB* . . . . . 10 . HN . . rr_1bor 1 101 1 . . 1 1 29 29 CYS H H . . . 1 1 28 28 LEU HA H . . . . . 1.8 1.8 5.0 . . . . . A . 29 CYS H . . A . 28 LEU HA . . . 29 . HN . . . . . 28 . HA . . rr_1bor 1 102 1 OR . 1 1 29 29 CYS H H . . . 1 1 33 33 LEU HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 29 CYS H . . A . 33 LEU HB2 . . . 29 . HN . . . . . 33 . HB* . . rr_1bor 1 102 2 OR . 1 1 29 29 CYS H H . . . 1 1 33 33 LEU HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 29 CYS H . . A . 33 LEU HB3 . . . 29 . HN . . . . . 33 . HB* . . rr_1bor 1 103 1 OR . 1 1 29 29 CYS H H . . . 1 1 33 33 LEU MD1 H . . . . . 1.8 1.8 7.5 . . . . . A . 29 CYS H . . A . 33 LEU MD1 . . . 29 . HN . . . . . 33 . HD* . . rr_1bor 1 103 2 OR . 1 1 33 33 LEU MD2 H . . . 1 1 29 29 CYS H H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU MD2 . . A . 29 CYS H . . . 33 . HD* . . . . . 29 . HN . . rr_1bor 1 104 1 OR . 1 1 30 30 SER H H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 30 SER H . . A . 28 LEU HB2 . . . 30 . HN . . . . . 28 . HB* . . rr_1bor 1 104 2 OR . 1 1 28 28 LEU HB3 H . . . 1 1 30 30 SER H H . . . . . 1.8 1.8 5.5 . . . . . A . 28 LEU HB3 . . A . 30 SER H . . . 28 . HB* . . . . . 30 . HN . . rr_1bor 1 105 1 OR . 1 1 30 30 SER HB2 H . . . 1 1 31 31 GLY HA2 H . . . . . 1.8 1.8 7.0 . . . . . A . 30 SER HB2 . . A . 31 GLY HA2 . . . 30 . HB* . . . . . 31 . HA* . . rr_1bor 1 105 2 OR . 1 1 30 30 SER HB3 H . . . 1 1 31 31 GLY HA2 H . . . . . 1.8 1.8 7.0 . . . . . A . 30 SER HB3 . . A . 31 GLY HA2 . . . 30 . HB* . . . . . 31 . HA* . . rr_1bor 1 105 3 OR . 1 1 31 31 GLY HA3 H . . . 1 1 30 30 SER HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 31 GLY HA3 . . A . 30 SER HB2 . . . 31 . HA* . . . . . 30 . HB* . . rr_1bor 1 105 4 OR . 1 1 30 30 SER HB3 H . . . 1 1 31 31 GLY HA3 H . . . . . 1.8 1.8 7.0 . . . . . A . 30 SER HB3 . . A . 31 GLY HA3 . . . 30 . HB* . . . . . 31 . HA* . . rr_1bor 1 106 1 OR . 1 1 17 17 LYS HA H . . . 1 1 30 30 SER HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 17 LYS HA . . A . 30 SER HB2 . . . 17 . HA . . . . . 30 . HB* . . rr_1bor 1 106 2 OR . 1 1 17 17 LYS HA H . . . 1 1 30 30 SER HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 17 LYS HA . . A . 30 SER HB3 . . . 17 . HA . . . . . 30 . HB* . . rr_1bor 1 107 1 OR . 1 1 31 31 GLY HA2 H . . . 1 1 32 32 CYS HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 31 GLY HA2 . . A . 32 CYS HB2 . . . 31 . HA* . . . . . 32 . HB* . . rr_1bor 1 107 2 OR . 1 1 31 31 GLY HA3 H . . . 1 1 32 32 CYS HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 31 GLY HA3 . . A . 32 CYS HB2 . . . 31 . HA* . . . . . 32 . HB* . . rr_1bor 1 107 3 OR . 1 1 32 32 CYS HB3 H . . . 1 1 31 31 GLY HA2 H . . . . . 1.8 1.8 6.5 . . . . . A . 32 CYS HB3 . . A . 31 GLY HA2 . . . 32 . HB* . . . . . 31 . HA* . . rr_1bor 1 107 4 OR . 1 1 31 31 GLY HA3 H . . . 1 1 32 32 CYS HB3 H . . . . . 1.8 1.8 6.5 . . . . . A . 31 GLY HA3 . . A . 32 CYS HB3 . . . 31 . HA* . . . . . 32 . HB* . . rr_1bor 1 108 1 . . 1 1 33 33 LEU H H . . . 1 1 32 32 CYS HA H . . . . . 1.8 1.8 3.8 . . . . . A . 33 LEU H . . A . 32 CYS HA . . . 33 . HN . . . . . 32 . HA . . rr_1bor 1 109 1 OR . 1 1 33 33 LEU H H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 33 LEU H . . A . 29 CYS HB2 . . . 33 . HN . . . . . 29 . HB* . . rr_1bor 1 109 2 OR . 1 1 29 29 CYS HB3 H . . . 1 1 33 33 LEU H H . . . . . 1.8 1.8 6.0 . . . . . A . 29 CYS HB3 . . A . 33 LEU H . . . 29 . HB* . . . . . 33 . HN . . rr_1bor 1 110 1 OR . 1 1 33 33 LEU H H . . . 1 1 28 28 LEU MD1 H . . . . . 1.8 1.8 8.4 . . . . . A . 33 LEU H . . A . 28 LEU MD1 . . . 33 . HN . . . . . 28 . HD* . . rr_1bor 1 110 2 OR . 1 1 28 28 LEU MD2 H . . . 1 1 33 33 LEU H H . . . . . 1.8 1.8 8.4 . . . . . A . 28 LEU MD2 . . A . 33 LEU H . . . 28 . HD* . . . . . 33 . HN . . rr_1bor 1 111 1 OR . 1 1 33 33 LEU H H . . . 1 1 28 28 LEU HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 33 LEU H . . A . 28 LEU HB2 . . . 33 . HN . . . . . 28 . HB* . . rr_1bor 1 111 2 OR . 1 1 28 28 LEU HB3 H . . . 1 1 33 33 LEU H H . . . . . 1.8 1.8 5.0 . . . . . A . 28 LEU HB3 . . A . 33 LEU H . . . 28 . HB* . . . . . 33 . HN . . rr_1bor 1 112 1 OR . 1 1 33 33 LEU MD1 H . . . 1 1 36 36 SER HB2 H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU MD1 . . A . 36 SER HB2 . . . 33 . HD* . . . . . 36 . HB* . . rr_1bor 1 112 2 OR . 1 1 33 33 LEU MD2 H . . . 1 1 36 36 SER HB2 H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU MD2 . . A . 36 SER HB2 . . . 33 . HD* . . . . . 36 . HB* . . rr_1bor 1 112 3 OR . 1 1 36 36 SER HB3 H . . . 1 1 33 33 LEU MD1 H . . . . . 1.8 1.8 7.5 . . . . . A . 36 SER HB3 . . A . 33 LEU MD1 . . . 36 . HB* . . . . . 33 . HD* . . rr_1bor 1 112 4 OR . 1 1 33 33 LEU MD2 H . . . 1 1 36 36 SER HB3 H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU MD2 . . A . 36 SER HB3 . . . 33 . HD* . . . . . 36 . HB* . . rr_1bor 1 113 1 . . 1 1 33 33 LEU HA H . . . 1 1 35 35 ALA H H . . . . . 1.8 1.8 5.0 . . . . . A . 33 LEU HA . . A . 35 ALA H . . . 33 . HA . . . . . 35 . HN . . rr_1bor 1 114 1 OR . 1 1 33 33 LEU HA H . . . 1 1 34 34 GLU HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 33 LEU HA . . A . 34 GLU HB3 . . . 33 . HA . . . . . 34 . HB* . . rr_1bor 1 114 2 OR . 1 1 33 33 LEU HA H . . . 1 1 34 34 GLU HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 33 LEU HA . . A . 34 GLU HB2 . . . 33 . HA . . . . . 34 . HB* . . rr_1bor 1 115 1 OR . 1 1 35 35 ALA H H . . . 1 1 33 33 LEU HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 35 ALA H . . A . 33 LEU HB2 . . . 35 . HN . . . . . 33 . HB* . . rr_1bor 1 115 2 OR . 1 1 33 33 LEU HB3 H . . . 1 1 35 35 ALA H H . . . . . 1.8 1.8 6.5 . . . . . A . 33 LEU HB3 . . A . 35 ALA H . . . 33 . HB* . . . . . 35 . HN . . rr_1bor 1 116 1 OR . 1 1 33 33 LEU MD1 H . . . 1 1 38 38 MET HG2 H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU MD1 . . A . 38 MET HG2 . . . 33 . HD* . . . . . 38 . HG* . . rr_1bor 1 116 2 OR . 1 1 33 33 LEU MD2 H . . . 1 1 38 38 MET HG2 H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU MD2 . . A . 38 MET HG2 . . . 33 . HD* . . . . . 38 . HG* . . rr_1bor 1 116 3 OR . 1 1 38 38 MET HG3 H . . . 1 1 33 33 LEU MD1 H . . . . . 1.8 1.8 7.5 . . . . . A . 38 MET HG3 . . A . 33 LEU MD1 . . . 38 . HG* . . . . . 33 . HD* . . rr_1bor 1 116 4 OR . 1 1 33 33 LEU MD2 H . . . 1 1 38 38 MET HG3 H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU MD2 . . A . 38 MET HG3 . . . 33 . HD* . . . . . 38 . HG* . . rr_1bor 1 117 1 OR . 1 1 33 33 LEU HB2 H . . . 1 1 38 38 MET HB2 H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU HB2 . . A . 38 MET HB2 . . . 33 . HB* . . . . . 38 . HB* . . rr_1bor 1 117 2 OR . 1 1 33 33 LEU HB3 H . . . 1 1 38 38 MET HB2 H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU HB3 . . A . 38 MET HB2 . . . 33 . HB* . . . . . 38 . HB* . . rr_1bor 1 117 3 OR . 1 1 38 38 MET HB3 H . . . 1 1 33 33 LEU HB2 H . . . . . 1.8 1.8 7.5 . . . . . A . 38 MET HB3 . . A . 33 LEU HB2 . . . 38 . HB* . . . . . 33 . HB* . . rr_1bor 1 117 4 OR . 1 1 33 33 LEU HB3 H . . . 1 1 38 38 MET HB3 H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU HB3 . . A . 38 MET HB3 . . . 33 . HB* . . . . . 38 . HB* . . rr_1bor 1 118 1 OR . 1 1 33 33 LEU HB2 H . . . 1 1 38 38 MET HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 33 LEU HB2 . . A . 38 MET HG2 . . . 33 . HB* . . . . . 38 . HG* . . rr_1bor 1 118 2 OR . 1 1 38 38 MET HG3 H . . . 1 1 33 33 LEU HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 38 MET HG3 . . A . 33 LEU HB2 . . . 38 . HG* . . . . . 33 . HB* . . rr_1bor 1 118 3 OR . 1 1 38 38 MET HG3 H . . . 1 1 33 33 LEU HB3 H . . . . . 1.8 1.8 5.0 . . . . . A . 38 MET HG3 . . A . 33 LEU HB3 . . . 38 . HG* . . . . . 33 . HB* . . rr_1bor 1 118 4 OR . 1 1 33 33 LEU HB3 H . . . 1 1 38 38 MET HG2 H . . . . . 1.8 1.8 5.0 . . . . . A . 33 LEU HB3 . . A . 38 MET HG2 . . . 33 . HB* . . . . . 38 . HG* . . rr_1bor 1 119 1 . . 1 1 33 33 LEU HA H . . . 1 1 34 34 GLU H H . . . . . 1.8 1.8 3.0 . . . . . A . 33 LEU HA . . A . 34 GLU H . . . 33 . HA . . . . . 34 . HN . . rr_1bor 1 120 1 OR . 1 1 34 34 GLU H H . . . 1 1 33 33 LEU HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 34 GLU H . . A . 33 LEU HB2 . . . 34 . HN . . . . . 33 . HB* . . rr_1bor 1 120 2 OR . 1 1 33 33 LEU HB3 H . . . 1 1 34 34 GLU H H . . . . . 1.8 1.8 5.5 . . . . . A . 33 LEU HB3 . . A . 34 GLU H . . . 33 . HB* . . . . . 34 . HN . . rr_1bor 1 121 1 OR . 1 1 34 34 GLU H H . . . 1 1 33 33 LEU MD1 H . . . . . 1.8 1.8 5.0 . . . . . A . 34 GLU H . . A . 33 LEU MD1 . . . 34 . HN . . . . . 33 . HD* . . rr_1bor 1 121 2 OR . 1 1 33 33 LEU MD2 H . . . 1 1 34 34 GLU H H . . . . . 1.8 1.8 5.0 . . . . . A . 33 LEU MD2 . . A . 34 GLU H . . . 33 . HD* . . . . . 34 . HN . . rr_1bor 1 122 1 OR . 1 1 34 34 GLU H H . . . 1 1 28 28 LEU MD1 H . . . . . 1.8 1.8 7.4 . . . . . A . 34 GLU H . . A . 28 LEU MD1 . . . 34 . HN . . . . . 28 . HD* . . rr_1bor 1 122 2 OR . 1 1 28 28 LEU MD2 H . . . 1 1 34 34 GLU H H . . . . . 1.8 1.8 7.4 . . . . . A . 28 LEU MD2 . . A . 34 GLU H . . . 28 . HD* . . . . . 34 . HN . . rr_1bor 1 123 1 . . 1 1 10 10 GLN HA H . . . 1 1 34 34 GLU H H . . . . . 1.8 1.8 6.5 . . . . . A . 10 GLN HA . . A . 34 GLU H . . . 10 . HA . . . . . 34 . HN . . rr_1bor 1 124 1 OR . 1 1 34 34 GLU HA H . . . 1 1 33 33 LEU HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 34 GLU HA . . A . 33 LEU HB2 . . . 34 . HA . . . . . 33 . HB* . . rr_1bor 1 124 2 OR . 1 1 33 33 LEU HB3 H . . . 1 1 34 34 GLU HA H . . . . . 1.8 1.8 5.0 . . . . . A . 33 LEU HB3 . . A . 34 GLU HA . . . 33 . HB* . . . . . 34 . HA . . rr_1bor 1 125 1 OR . 1 1 29 29 CYS HB2 H . . . 1 1 33 33 LEU HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 29 CYS HB2 . . A . 33 LEU HB2 . . . 29 . HB* . . . . . 33 . HB* . . rr_1bor 1 125 2 OR . 1 1 29 29 CYS HB3 H . . . 1 1 33 33 LEU HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 29 CYS HB3 . . A . 33 LEU HB2 . . . 29 . HB* . . . . . 33 . HB* . . rr_1bor 1 125 3 OR . 1 1 33 33 LEU HB3 H . . . 1 1 29 29 CYS HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 33 LEU HB3 . . A . 29 CYS HB2 . . . 33 . HB* . . . . . 29 . HB* . . rr_1bor 1 125 4 OR . 1 1 29 29 CYS HB3 H . . . 1 1 33 33 LEU HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 29 CYS HB3 . . A . 33 LEU HB3 . . . 29 . HB* . . . . . 33 . HB* . . rr_1bor 1 126 1 . . 1 1 35 35 ALA H H . . . 1 1 34 34 GLU H H . . . . . 1.8 1.8 4.0 . . . . . A . 35 ALA H . . A . 34 GLU H . . . 35 . HN . . . . . 34 . HN . . rr_1bor 1 127 1 . . 1 1 35 35 ALA H H . . . 1 1 36 36 SER H H . . . . . 1.8 1.8 4.0 . . . . . A . 35 ALA H . . A . 36 SER H . . . 35 . HN . . . . . 36 . HN . . rr_1bor 1 128 1 . . 1 1 35 35 ALA H H . . . 1 1 34 34 GLU HA H . . . . . 1.8 1.8 5.0 . . . . . A . 35 ALA H . . A . 34 GLU HA . . . 35 . HN . . . . . 34 . HA . . rr_1bor 1 129 1 OR . 1 1 35 35 ALA H H . . . 1 1 34 34 GLU HB3 H . . . . . 1.8 1.8 4.5 . . . . . A . 35 ALA H . . A . 34 GLU HB3 . . . 35 . HN . . . . . 34 . HB* . . rr_1bor 1 129 2 OR . 1 1 34 34 GLU HB2 H . . . 1 1 35 35 ALA H H . . . . . 1.8 1.8 4.5 . . . . . A . 34 GLU HB2 . . A . 35 ALA H . . . 34 . HB* . . . . . 35 . HN . . rr_1bor 1 130 1 . . 1 1 38 38 MET H H . . . 1 1 35 35 ALA HA H . . . . . 1.8 1.8 5.2 . . . . . A . 38 MET H . . A . 35 ALA HA . . . 38 . HN . . . . . 35 . HA . . rr_1bor 1 131 1 . . 1 1 33 33 LEU HA H . . . 1 1 35 35 ALA H H . . . . . 1.8 1.8 5.0 . . . . . A . 33 LEU HA . . A . 35 ALA H . . . 33 . HA . . . . . 35 . HN . . rr_1bor 1 132 1 . . 1 1 36 36 SER H H . . . 1 1 35 35 ALA HA H . . . . . 1.8 1.8 4.0 . . . . . A . 36 SER H . . A . 35 ALA HA . . . 36 . HN . . . . . 35 . HA . . rr_1bor 1 133 1 OR . 1 1 36 36 SER H H . . . 1 1 34 34 GLU HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 36 SER H . . A . 34 GLU HB3 . . . 36 . HN . . . . . 34 . HB* . . rr_1bor 1 133 2 OR . 1 1 34 34 GLU HB2 H . . . 1 1 36 36 SER H H . . . . . 1.8 1.8 6.0 . . . . . A . 34 GLU HB2 . . A . 36 SER H . . . 34 . HB* . . . . . 36 . HN . . rr_1bor 1 134 1 OR . 1 1 36 36 SER H H . . . 1 1 43 43 CYS HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 36 SER H . . A . 43 CYS HB2 . . . 36 . HN . . . . . 43 . HB* . . rr_1bor 1 134 2 OR . 1 1 43 43 CYS HB3 H . . . 1 1 36 36 SER H H . . . . . 1.8 1.8 6.5 . . . . . A . 43 CYS HB3 . . A . 36 SER H . . . 43 . HB* . . . . . 36 . HN . . rr_1bor 1 135 1 OR . 1 1 36 36 SER H H . . . 1 1 33 33 LEU MD1 H . . . . . 1.8 1.8 6.6 . . . . . A . 36 SER H . . A . 33 LEU MD1 . . . 36 . HN . . . . . 33 . HD* . . rr_1bor 1 135 2 OR . 1 1 33 33 LEU MD2 H . . . 1 1 36 36 SER H H . . . . . 1.8 1.8 6.6 . . . . . A . 33 LEU MD2 . . A . 36 SER H . . . 33 . HD* . . . . . 36 . HN . . rr_1bor 1 136 1 . . 1 1 37 37 GLY H H . . . 1 1 36 36 SER HA H . . . . . 1.8 1.8 5.0 . . . . . A . 37 GLY H . . A . 36 SER HA . . . 37 . HN . . . . . 36 . HA . . rr_1bor 1 137 1 . . 1 1 34 34 GLU HA H . . . 1 1 37 37 GLY H H . . . . . 1.8 1.8 6.0 . . . . . A . 34 GLU HA . . A . 37 GLY H . . . 34 . HA . . . . . 37 . HN . . rr_1bor 1 138 1 . . 1 1 33 33 LEU HA H . . . 1 1 37 37 GLY H H . . . . . 1.8 1.8 7.0 . . . . . A . 33 LEU HA . . A . 37 GLY H . . . 33 . HA . . . . . 37 . HN . . rr_1bor 1 139 1 OR . 1 1 38 38 MET H H . . . 1 1 37 37 GLY HA2 H . . . . . 1.8 1.8 5.5 . . . . . A . 38 MET H . . A . 37 GLY HA2 . . . 38 . HN . . . . . 37 . HA* . . rr_1bor 1 139 2 OR . 1 1 38 38 MET H H . . . 1 1 37 37 GLY HA3 H . . . . . 1.8 1.8 5.5 . . . . . A . 38 MET H . . A . 37 GLY HA3 . . . 38 . HN . . . . . 37 . HA* . . rr_1bor 1 140 1 . . 1 1 39 39 GLN H H . . . 1 1 38 38 MET HA H . . . . . 1.8 1.8 3.8 . . . . . A . 39 GLN H . . A . 38 MET HA . . . 39 . HN . . . . . 38 . HA . . rr_1bor 1 141 1 OR . 1 1 39 39 GLN H H . . . 1 1 38 38 MET HB2 H . . . . . 1.8 1.8 4.5 . . . . . A . 39 GLN H . . A . 38 MET HB2 . . . 39 . HN . . . . . 38 . HB* . . rr_1bor 1 141 2 OR . 1 1 38 38 MET HB3 H . . . 1 1 39 39 GLN H H . . . . . 1.8 1.8 4.5 . . . . . A . 38 MET HB3 . . A . 39 GLN H . . . 38 . HB* . . . . . 39 . HN . . rr_1bor 1 142 1 OR . 1 1 39 39 GLN H H . . . 1 1 33 33 LEU MD1 H . . . . . 1.8 1.8 6.3 . . . . . A . 39 GLN H . . A . 33 LEU MD1 . . . 39 . HN . . . . . 33 . HD* . . rr_1bor 1 142 2 OR . 1 1 33 33 LEU MD2 H . . . 1 1 39 39 GLN H H . . . . . 1.8 1.8 6.3 . . . . . A . 33 LEU MD2 . . A . 39 GLN H . . . 33 . HD* . . . . . 39 . HN . . rr_1bor 1 143 1 . . 1 1 39 39 GLN H H . . . 1 1 35 35 ALA MB H . . . . . 1.8 1.8 5.3 . . . . . A . 39 GLN H . . A . 35 ALA MB . . . 39 . HN . . . . . 35 . HB* . . rr_1bor 1 144 1 OR . 1 1 39 39 GLN HA H . . . 1 1 41 41 PRO HD2 H . . . . . 1.8 1.8 6.3 . . . . . A . 39 GLN HA . . A . 41 PRO HD2 . . . 39 . HA . . . . . 41 . HD* . . rr_1bor 1 144 2 OR . 1 1 39 39 GLN HA H . . . 1 1 41 41 PRO HD3 H . . . . . 1.8 1.8 6.3 . . . . . A . 39 GLN HA . . A . 41 PRO HD3 . . . 39 . HA . . . . . 41 . HD* . . rr_1bor 1 145 1 OR . 1 1 43 43 CYS HA H . . . 1 1 41 41 PRO HD2 H . . . . . 1.8 1.8 4.6 . . . . . A . 43 CYS HA . . A . 41 PRO HD2 . . . 43 . HA . . . . . 41 . HD* . . rr_1bor 1 145 2 OR . 1 1 41 41 PRO HD3 H . . . 1 1 43 43 CYS HA H . . . . . 1.8 1.8 4.6 . . . . . A . 41 PRO HD3 . . A . 43 CYS HA . . . 41 . HD* . . . . . 43 . HA . . rr_1bor 1 146 1 . . 1 1 43 43 CYS HA H . . . 1 1 44 44 GLN H H . . . . . 1.8 1.8 3.5 . . . . . A . 43 CYS HA . . A . 44 GLN H . . . 43 . HA . . . . . 44 . HN . . rr_1bor 1 147 1 OR . 1 1 44 44 GLN H H . . . 1 1 40 40 CYS HB2 H . . . . . 1.8 1.8 6.1 . . . . . A . 44 GLN H . . A . 40 CYS HB2 . . . 44 . HN . . . . . 40 . HB* . . rr_1bor 1 147 2 OR . 1 1 40 40 CYS HB3 H . . . 1 1 44 44 GLN H H . . . . . 1.8 1.8 6.1 . . . . . A . 40 CYS HB3 . . A . 44 GLN H . . . 40 . HB* . . . . . 44 . HN . . rr_1bor 1 148 1 . . 1 1 44 44 GLN H H . . . 1 1 34 34 GLU HB3 H . . . . . 1.8 1.8 4.3 . . . . . A . 44 GLN H . . A . 34 GLU HB3 . . . 44 . HN . . . . . 34 . HB1 . . rr_1bor 1 149 1 . . 1 1 34 34 GLU HB2 H . . . 1 1 44 44 GLN H H . . . . . 1.8 1.8 4.2 . . . . . A . 34 GLU HB2 . . A . 44 GLN H . . . 34 . HB2 . . . . . 44 . HN . . rr_1bor 1 150 1 OR . 1 1 44 44 GLN HA H . . . 1 1 47 47 TRP HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 44 GLN HA . . A . 47 TRP HB2 . . . 44 . HA . . . . . 47 . HB* . . rr_1bor 1 150 2 OR . 1 1 47 47 TRP HB3 H . . . 1 1 44 44 GLN HA H . . . . . 1.8 1.8 5.5 . . . . . A . 47 TRP HB3 . . A . 44 GLN HA . . . 47 . HB* . . . . . 44 . HA . . rr_1bor 1 151 1 . . 1 1 44 44 GLN HA H . . . 1 1 45 45 ALA H H . . . . . 1.8 1.8 4.5 . . . . . A . 44 GLN HA . . A . 45 ALA H . . . 44 . HA . . . . . 45 . HN . . rr_1bor 1 152 1 OR . 1 1 45 45 ALA H H . . . 1 1 44 44 GLN HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 45 ALA H . . A . 44 GLN HB2 . . . 45 . HN . . . . . 44 . HB* . . rr_1bor 1 152 2 OR . 1 1 45 45 ALA H H . . . 1 1 44 44 GLN HB3 H . . . . . 1.8 1.8 6.0 . . . . . A . 45 ALA H . . A . 44 GLN HB3 . . . 45 . HN . . . . . 44 . HB* . . rr_1bor 1 153 1 OR . 1 1 47 47 TRP HH2 H . . . 1 1 43 43 CYS HB2 H . . . . . 1.8 1.8 7.2 . . . . . A . 47 TRP HH2 . . A . 43 CYS HB2 . . . 47 . HH2 . . . . . 43 . HB* . . rr_1bor 1 153 2 OR . 1 1 43 43 CYS HB3 H . . . 1 1 47 47 TRP HH2 H . . . . . 1.8 1.8 7.2 . . . . . A . 43 CYS HB3 . . A . 47 TRP HH2 . . . 43 . HB* . . . . . 47 . HH2 . . rr_1bor 1 154 1 OR . 1 1 47 47 TRP HA H . . . 1 1 48 48 PRO HD2 H . . . . . 1.8 1.8 4.7 . . . . . A . 47 TRP HA . . A . 48 PRO HD2 . . . 47 . HA . . . . . 48 . HD* . . rr_1bor 1 154 2 OR . 1 1 47 47 TRP HA H . . . 1 1 48 48 PRO HD3 H . . . . . 1.8 1.8 4.7 . . . . . A . 47 TRP HA . . A . 48 PRO HD3 . . . 47 . HA . . . . . 48 . HD* . . rr_1bor 1 155 1 OR . 1 1 47 47 TRP HA H . . . 1 1 21 21 LEU MD1 H . . . . . 1.8 1.8 6.0 . . . . . A . 47 TRP HA . . A . 21 LEU MD1 . . . 47 . HA . . . . . 21 . HD* . . rr_1bor 1 155 2 OR . 1 1 47 47 TRP HA H . . . 1 1 21 21 LEU MD2 H . . . . . 1.8 1.8 6.0 . . . . . A . 47 TRP HA . . A . 21 LEU MD2 . . . 47 . HA . . . . . 21 . HD* . . rr_1bor 1 156 1 . . 1 1 34 34 GLU HA H . . . 1 1 47 47 TRP HH2 H . . . . . 1.8 1.8 4.1 . . . . . A . 34 GLU HA . . A . 47 TRP HH2 . . . 34 . HA . . . . . 47 . HH2 . . rr_1bor 1 157 1 OR . 1 1 47 47 TRP HE3 H . . . 1 1 43 43 CYS HB2 H . . . . . 1.8 1.8 5.0 . . . . . A . 47 TRP HE3 . . A . 43 CYS HB2 . . . 47 . HE3 . . . . . 43 . HB* . . rr_1bor 1 157 2 OR . 1 1 43 43 CYS HB3 H . . . 1 1 47 47 TRP HE3 H . . . . . 1.8 1.8 5.0 . . . . . A . 43 CYS HB3 . . A . 47 TRP HE3 . . . 43 . HB* . . . . . 47 . HE3 . . rr_1bor 1 158 1 . . 1 1 47 47 TRP HD1 H . . . 1 1 30 30 SER HA H . . . . . 1.8 1.8 4.0 . . . . . A . 47 TRP HD1 . . A . 30 SER HA . . . 47 . HD1 . . . . . 30 . HA . . rr_1bor 1 159 1 OR . 1 1 47 47 TRP HE3 H . . . 1 1 34 34 GLU HB3 H . . . . . 1.8 1.8 5.3 . . . . . A . 47 TRP HE3 . . A . 34 GLU HB3 . . . 47 . HE3 . . . . . 34 . HB* . . rr_1bor 1 159 2 OR . 1 1 34 34 GLU HB2 H . . . 1 1 47 47 TRP HE3 H . . . . . 1.8 1.8 5.3 . . . . . A . 34 GLU HB2 . . A . 47 TRP HE3 . . . 34 . HB* . . . . . 47 . HE3 . . rr_1bor 1 160 1 . . 1 1 33 33 LEU HA H . . . 1 1 47 47 TRP HH2 H . . . . . 1.8 1.8 4.2 . . . . . A . 33 LEU HA . . A . 47 TRP HH2 . . . 33 . HA . . . . . 47 . HH2 . . rr_1bor 1 161 1 OR . 1 1 47 47 TRP HZ2 H . . . 1 1 33 33 LEU MD1 H . . . . . 1.8 1.8 7.5 . . . . . A . 47 TRP HZ2 . . A . 33 LEU MD1 . . . 47 . HZ2 . . . . . 33 . HD* . . rr_1bor 1 161 2 OR . 1 1 33 33 LEU MD2 H . . . 1 1 47 47 TRP HZ2 H . . . . . 1.8 1.8 7.5 . . . . . A . 33 LEU MD2 . . A . 47 TRP HZ2 . . . 33 . HD* . . . . . 47 . HZ2 . . rr_1bor 1 162 1 . . 1 1 18 18 CYS HA H . . . 1 1 47 47 TRP HD1 H . . . . . 1.8 1.8 5.0 . . . . . A . 18 CYS HA . . A . 47 TRP HD1 . . . 18 . HA . . . . . 47 . HD1 . . rr_1bor 1 163 1 . . 1 1 20 20 LYS HA H . . . 1 1 47 47 TRP HD1 H . . . . . 1.8 1.8 5.0 . . . . . A . 20 LYS HA . . A . 47 TRP HD1 . . . 20 . HA . . . . . 47 . HD1 . . rr_1bor 1 164 1 OR . 1 1 47 47 TRP HD1 H . . . 1 1 48 48 PRO HD2 H . . . . . 1.8 1.8 6.0 . . . . . A . 47 TRP HD1 . . A . 48 PRO HD2 . . . 47 . HD1 . . . . . 48 . HD* . . rr_1bor 1 164 2 OR . 1 1 48 48 PRO HD3 H . . . 1 1 47 47 TRP HD1 H . . . . . 1.8 1.8 6.0 . . . . . A . 48 PRO HD3 . . A . 47 TRP HD1 . . . 48 . HD* . . . . . 47 . HD1 . . rr_1bor 1 165 1 . . 1 1 47 47 TRP HZ3 H . . . 1 1 42 42 ILE MD H . . . . . 1.8 1.8 7.0 . . . . . A . 47 TRP HZ3 . . A . 42 ILE MD . . . 47 . HZ3 . . . . . 42 . HD1* . . rr_1bor 1 166 1 . . 1 1 47 47 TRP HH2 H . . . 1 1 42 42 ILE MD H . . . . . 1.8 1.8 7.0 . . . . . A . 47 TRP HH2 . . A . 42 ILE MD . . . 47 . HH2 . . . . . 42 . HD1* . . rr_1bor 1 167 1 . . 1 1 20 20 LYS HA H . . . 1 1 47 47 TRP HA H . . . . . 1.8 1.8 5.0 . . . . . A . 20 LYS HA . . A . 47 TRP HA . . . 20 . HA . . . . . 47 . HA . . rr_1bor 1 168 1 OR . 1 1 47 47 TRP HD1 H . . . 1 1 20 20 LYS HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 47 TRP HD1 . . A . 20 LYS HB2 . . . 47 . HD1 . . . . . 20 . HB* . . rr_1bor 1 168 2 OR . 1 1 47 47 TRP HD1 H . . . 1 1 20 20 LYS HB3 H . . . . . 1.8 1.8 6.5 . . . . . A . 47 TRP HD1 . . A . 20 LYS HB3 . . . 47 . HD1 . . . . . 20 . HB* . . rr_1bor 1 169 1 . . 1 1 47 47 TRP HD1 H . . . 1 1 20 20 LYS HG3 H . . . . . 1.8 1.8 5.0 . . . . . A . 47 TRP HD1 . . A . 20 LYS HG3 . . . 47 . HD1 . . . . . 20 . HG1 . . rr_1bor 1 170 1 OR . 1 1 47 47 TRP HD1 H . . . 1 1 20 20 LYS HG3 H . . . . . 1.8 1.8 6.0 . . . . . A . 47 TRP HD1 . . A . 20 LYS HG3 . . . 47 . HD1 . . . . . 20 . HG* . . rr_1bor 1 170 2 OR . 1 1 20 20 LYS HG2 H . . . 1 1 47 47 TRP HD1 H . . . . . 1.8 1.8 6.0 . . . . . A . 20 LYS HG2 . . A . 47 TRP HD1 . . . 20 . HG* . . . . . 47 . HD1 . . rr_1bor 1 171 1 OR . 1 1 47 47 TRP HD1 H . . . 1 1 19 19 PRO HB2 H . . . . . 1.8 1.8 6.8 . . . . . A . 47 TRP HD1 . . A . 19 PRO HB2 . . . 47 . HD1 . . . . . 19 . HB* . . rr_1bor 1 171 2 OR . 1 1 47 47 TRP HD1 H . . . 1 1 19 19 PRO HB3 H . . . . . 1.8 1.8 6.8 . . . . . A . 47 TRP HD1 . . A . 19 PRO HB3 . . . 47 . HD1 . . . . . 19 . HB* . . rr_1bor 1 172 1 OR . 1 1 47 47 TRP HZ2 H . . . 1 1 43 43 CYS HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 47 TRP HZ2 . . A . 43 CYS HB2 . . . 47 . HZ2 . . . . . 43 . HB* . . rr_1bor 1 172 2 OR . 1 1 43 43 CYS HB3 H . . . 1 1 47 47 TRP HZ2 H . . . . . 1.8 1.8 6.0 . . . . . A . 43 CYS HB3 . . A . 47 TRP HZ2 . . . 43 . HB* . . . . . 47 . HZ2 . . rr_1bor 1 173 1 OR . 1 1 47 47 TRP HD1 H . . . 1 1 18 18 CYS HB2 H . . . . . 1.8 1.8 6.0 . . . . . A . 47 TRP HD1 . . A . 18 CYS HB2 . . . 47 . HD1 . . . . . 18 . HB* . . rr_1bor 1 173 2 OR . 1 1 18 18 CYS HB3 H . . . 1 1 47 47 TRP HD1 H . . . . . 1.8 1.8 6.0 . . . . . A . 18 CYS HB3 . . A . 47 TRP HD1 . . . 18 . HB* . . . . . 47 . HD1 . . rr_1bor 1 174 1 OR . 1 1 20 20 LYS HA H . . . 1 1 47 47 TRP HB2 H . . . . . 1.8 1.8 7.0 . . . . . A . 20 LYS HA . . A . 47 TRP HB2 . . . 20 . HA . . . . . 47 . HB* . . rr_1bor 1 174 2 OR . 1 1 20 20 LYS HA H . . . 1 1 47 47 TRP HB3 H . . . . . 1.8 1.8 7.0 . . . . . A . 20 LYS HA . . A . 47 TRP HB3 . . . 20 . HA . . . . . 47 . HB* . . rr_1bor 1 175 1 . . 1 1 49 49 LEU H H . . . 1 1 50 50 GLY H H . . . . . 1.8 1.8 5.0 . . . . . A . 49 LEU H . . A . 50 GLY H . . . 49 . HN . . . . . 50 . HN . . rr_1bor 1 176 1 . . 1 1 50 50 GLY H H . . . 1 1 49 49 LEU HA H . . . . . 1.8 1.8 3.8 . . . . . A . 50 GLY H . . A . 49 LEU HA . . . 50 . HN . . . . . 49 . HA . . rr_1bor 1 177 1 OR . 1 1 50 50 GLY H H . . . 1 1 49 49 LEU MD1 H . . . . . 1.8 1.8 5.0 . . . . . A . 50 GLY H . . A . 49 LEU MD1 . . . 50 . HN . . . . . 49 . HD* . . rr_1bor 1 177 2 OR . 1 1 50 50 GLY H H . . . 1 1 49 49 LEU MD2 H . . . . . 1.8 1.8 5.0 . . . . . A . 50 GLY H . . A . 49 LEU MD2 . . . 50 . HN . . . . . 49 . HD* . . rr_1bor 1 178 1 OR . 1 1 51 51 ALA H H . . . 1 1 50 50 GLY HA2 H . . . . . 1.8 1.8 3.3 . . . . . A . 51 ALA H . . A . 50 GLY HA2 . . . 51 . HN . . . . . 50 . HA* . . rr_1bor 1 178 2 OR . 1 1 51 51 ALA H H . . . 1 1 50 50 GLY HA3 H . . . . . 1.8 1.8 3.3 . . . . . A . 51 ALA H . . A . 50 GLY HA3 . . . 51 . HN . . . . . 50 . HA* . . rr_1bor 1 179 1 . . 1 1 52 52 ASP H H . . . 1 1 51 51 ALA HA H . . . . . 1.8 1.8 4.0 . . . . . A . 52 ASP H . . A . 51 ALA HA . . . 52 . HN . . . . . 51 . HA . . rr_1bor 1 180 1 . . 1 1 53 53 THR H H . . . 1 1 52 52 ASP HA H . . . . . 1.8 1.8 5.0 . . . . . A . 53 THR H . . A . 52 ASP HA . . . 53 . HN . . . . . 52 . HA . . rr_1bor 1 181 1 OR . 1 1 55 55 ALA HA H . . . 1 1 19 19 PRO HD2 H . . . . . 1.8 1.8 4.8 . . . . . A . 55 ALA HA . . A . 19 PRO HD2 . . . 55 . HA . . . . . 19 . HD* . . rr_1bor 1 181 2 OR . 1 1 19 19 PRO HD3 H . . . 1 1 55 55 ALA HA H . . . . . 1.8 1.8 4.8 . . . . . A . 19 PRO HD3 . . A . 55 ALA HA . . . 19 . HD* . . . . . 55 . HA . . rr_1bor 1 182 1 OR . 1 1 56 56 LEU H H . . . 1 1 19 19 PRO HD2 H . . . . . 1.8 1.8 6.0 . . . . . A . 56 LEU H . . A . 19 PRO HD2 . . . 56 . HN . . . . . 19 . HD* . . rr_1bor 1 182 2 OR . 1 1 19 19 PRO HD3 H . . . 1 1 56 56 LEU H H . . . . . 1.8 1.8 6.0 . . . . . A . 19 PRO HD3 . . A . 56 LEU H . . . 19 . HD* . . . . . 56 . HN . . rr_1bor 1 183 1 OR . 1 1 17 17 LYS HA H . . . 1 1 56 56 LEU MD1 H . . . . . 1.8 1.8 5.0 . . . . . A . 17 LYS HA . . A . 56 LEU MD1 . . . 17 . HA . . . . . 56 . HD* . . rr_1bor 1 183 2 OR . 1 1 17 17 LYS HA H . . . 1 1 56 56 LEU MD2 H . . . . . 1.8 1.8 5.0 . . . . . A . 17 LYS HA . . A . 56 LEU MD2 . . . 17 . HA . . . . . 56 . HD* . . rr_1bor 1 184 1 . . 1 1 18 18 CYS N N . . . 1 1 28 28 LEU O O . . . . . 2.8 2.8 3.8 . . . . . A . 18 CYS N . . A . 28 LEU O . . . 18 . N . . . . . 28 . O . . rr_1bor 1 185 1 . . 1 1 17 17 LYS O O . . . 1 1 30 30 SER N N . . . . . 2.8 2.8 3.8 . . . . . A . 17 LYS O . . A . 30 SER N . . . 17 . O . . . . . 30 . N . . rr_1bor 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .28.HD3' (nmrStar names) not linked" rr_1bor 1 2 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 3 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .22.#' (nmrStar names) not linked" rr_1bor 1 4 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .22.#' (nmrStar names) not linked" rr_1bor 1 5 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 6 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 7 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 8 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 9 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 10 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .28.#' (nmrStar names) not linked" rr_1bor 1 11 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .28.#' (nmrStar names) not linked" rr_1bor 1 12 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 13 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 14 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 15 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 16 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 17 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .28.QD3' (nmrStar names) not linked" rr_1bor 1 18 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .33.#' (nmrStar names) not linked" rr_1bor 1 19 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .33.#' (nmrStar names) not linked" rr_1bor 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1bor _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'general distance' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1bor 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 26 26 HIS ND1 N . . . 1 1 24 24 CYS SG S . . . . . 3.4 3.25 3.55 . . . . . A . 26 HIS ND1 . . A . 24 CYS SG . . . 26 . ND1 . . . . . 24 . SG . . rr_1bor 2 2 1 . . 1 1 26 26 HIS ND1 N . . . 1 1 40 40 CYS SG S . . . . . 3.4 3.25 3.55 . . . . . A . 26 HIS ND1 . . A . 40 CYS SG . . . 26 . ND1 . . . . . 40 . SG . . rr_1bor 2 3 1 . . 1 1 26 26 HIS ND1 N . . . 1 1 43 43 CYS SG S . . . . . 3.4 3.25 3.55 . . . . . A . 26 HIS ND1 . . A . 43 CYS SG . . . 26 . ND1 . . . . . 43 . SG . . rr_1bor 2 4 1 . . 1 1 24 24 CYS SG S . . . 1 1 40 40 CYS SG S . . . . . 3.6 3.45 3.75 . . . . . A . 24 CYS SG . . A . 40 CYS SG . . . 24 . SG . . . . . 40 . SG . . rr_1bor 2 5 1 . . 1 1 24 24 CYS SG S . . . 1 1 43 43 CYS SG S . . . . . 3.6 3.45 3.75 . . . . . A . 24 CYS SG . . A . 43 CYS SG . . . 24 . SG . . . . . 43 . SG . . rr_1bor 2 6 1 . . 1 1 40 40 CYS SG S . . . 1 1 43 43 CYS SG S . . . . . 3.6 3.45 3.75 . . . . . A . 40 CYS SG . . A . 43 CYS SG . . . 40 . SG . . . . . 43 . SG . . rr_1bor 2 7 1 . . 1 1 29 29 CYS SG S . . . 1 1 32 32 CYS SG S . . . . . 3.6 3.45 3.75 . . . . . A . 29 CYS SG . . A . 32 CYS SG . . . 29 . SG . . . . . 32 . SG . . rr_1bor 2 8 1 . . 1 1 29 29 CYS SG S . . . 1 1 9 9 CYS SG S . . . . . 3.6 3.45 3.75 . . . . . A . 29 CYS SG . . A . 9 CYS SG . . . 29 . SG . . . . . 9 . SG . . rr_1bor 2 9 1 . . 1 1 29 29 CYS SG S . . . 1 1 12 12 CYS SG S . . . . . 3.6 3.45 3.75 . . . . . A . 29 CYS SG . . A . 12 CYS SG . . . 29 . SG . . . . . 12 . SG . . rr_1bor 2 10 1 . . 1 1 32 32 CYS SG S . . . 1 1 9 9 CYS SG S . . . . . 3.6 3.45 3.75 . . . . . A . 32 CYS SG . . A . 9 CYS SG . . . 32 . SG . . . . . 9 . SG . . rr_1bor 2 11 1 . . 1 1 32 32 CYS SG S . . . 1 1 12 12 CYS SG S . . . . . 3.6 3.45 3.75 . . . . . A . 32 CYS SG . . A . 12 CYS SG . . . 32 . SG . . . . . 12 . SG . . rr_1bor 2 12 1 . . 1 1 9 9 CYS SG S . . . 1 1 12 12 CYS SG S . . . . . 3.6 3.45 3.75 . . . . . A . 9 CYS SG . . A . 12 CYS SG . . . 9 . SG . . . . . 12 . SG . . rr_1bor 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 4 13 1 "Not handling restraint 13, item 1, resonance(s) 'ZNB.1.ALL_ATOMS' (nmrStar names) not linked" rr_1bor 2 2 4 14 1 "Not handling restraint 14, item 1, resonance(s) 'ZNB.1.ALL_ATOMS' (nmrStar names) not linked" rr_1bor 2 3 4 15 1 "Not handling restraint 15, item 1, resonance(s) 'ZNB.1.ALL_ATOMS' (nmrStar names) not linked" rr_1bor 2 4 4 16 1 "Not handling restraint 16, item 1, resonance(s) 'ZNB.1.ALL_ATOMS' (nmrStar names) not linked" rr_1bor 2 5 4 17 1 "Not handling restraint 17, item 1, resonance(s) 'ZNA.1.ALL_ATOMS' (nmrStar names) not linked" rr_1bor 2 6 4 18 1 "Not handling restraint 18, item 1, resonance(s) 'ZNA.1.ALL_ATOMS' (nmrStar names) not linked" rr_1bor 2 7 4 19 1 "Not handling restraint 19, item 1, resonance(s) 'ZNA.1.ALL_ATOMS' (nmrStar names) not linked" rr_1bor 2 8 4 20 1 "Not handling restraint 20, item 1, resonance(s) 'ZNA.1.ALL_ATOMS' (nmrStar names) not linked" rr_1bor 2 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Entry_ID rr_1bor _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1bor 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 4 4 PHE C C . . 1 1 5 5 GLN N N . . 1 1 5 5 GLN CA C . . 1 1 5 5 GLN C C . -170.0 -70.0 . . . A . 4 PHE C . . A . 5 GLN N . . A . 5 GLN CA . . A . 5 GLN C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_1bor 1 2 . . 1 1 5 5 GLN C C . . 1 1 6 6 PHE N N . . 1 1 6 6 PHE CA C . . 1 1 6 6 PHE C C . -155.0 -85.0 . . . A . 5 GLN C . . A . 6 PHE N . . A . 6 PHE CA . . A . 6 PHE C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_1bor 1 3 . . 1 1 6 6 PHE C C . . 1 1 7 7 LEU N N . . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU C C . -161.0 -79.0 . . . A . 6 PHE C . . A . 7 LEU N . . A . 7 LEU CA . . A . 7 LEU C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_1bor 1 4 . . 1 1 10 10 GLN C C . . 1 1 11 11 GLN N N . . 1 1 11 11 GLN CA C . . 1 1 11 11 GLN C C . -150.0 -90.0 . . . A . 10 GLN C . . A . 11 GLN N . . A . 11 GLN CA . . A . 11 GLN C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_1bor 1 5 . . 1 1 11 11 GLN C C . . 1 1 12 12 CYS N N . . 1 1 12 12 CYS CA C . . 1 1 12 12 CYS C C . -158.0 -82.0 . . . A . 11 GLN C . . A . 12 CYS N . . A . 12 CYS CA . . A . 12 CYS C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . rr_1bor 1 6 . . 1 1 14 14 ALA C C . . 1 1 15 15 GLU N N . . 1 1 15 15 GLU CA C . . 1 1 15 15 GLU C C . -153.0 -87.0 . . . A . 14 ALA C . . A . 15 GLU N . . A . 15 GLU CA . . A . 15 GLU C . . . 14 . C . . . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . rr_1bor 1 7 . . 1 1 26 26 HIS C C . . 1 1 27 27 THR N N . . 1 1 27 27 THR CA C . . 1 1 27 27 THR C C . -155.0 -85.0 . . . A . 26 HIS C . . A . 27 THR N . . A . 27 THR CA . . A . 27 THR C . . . 26 . C . . . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . rr_1bor 1 8 . . 1 1 27 27 THR C C . . 1 1 28 28 LEU N N . . 1 1 28 28 LEU CA C . . 1 1 28 28 LEU C C . -150.0 -90.0 . . . A . 27 THR C . . A . 28 LEU N . . A . 28 LEU CA . . A . 28 LEU C . . . 27 . C . . . . . 28 . N . . . . . 28 . CA . . . . . 28 . C . . rr_1bor 1 9 . . 1 1 29 29 CYS C C . . 1 1 30 30 SER N N . . 1 1 30 30 SER CA C . . 1 1 30 30 SER C C . -97.0 -23.0 . . . A . 29 CYS C . . A . 30 SER N . . A . 30 SER CA . . A . 30 SER C . . . 29 . C . . . . . 30 . N . . . . . 30 . CA . . . . . 30 . C . . rr_1bor 1 10 . . 1 1 32 32 CYS C C . . 1 1 33 33 LEU N N . . 1 1 33 33 LEU CA C . . 1 1 33 33 LEU C C . -161.0 -79.0 . . . A . 32 CYS C . . A . 33 LEU N . . A . 33 LEU CA . . A . 33 LEU C . . . 32 . C . . . . . 33 . N . . . . . 33 . CA . . . . . 33 . C . . rr_1bor 1 11 . . 1 1 44 44 GLN C C . . 1 1 45 45 ALA N N . . 1 1 45 45 ALA CA C . . 1 1 45 45 ALA C C . -170.0 -70.0 . . . A . 44 GLN C . . A . 45 ALA N . . A . 45 ALA CA . . A . 45 ALA C . . . 44 . C . . . . . 45 . N . . . . . 45 . CA . . . . . 45 . C . . rr_1bor 1 12 . . 1 1 48 48 PRO C C . . 1 1 49 49 LEU N N . . 1 1 49 49 LEU CA C . . 1 1 49 49 LEU C C . -95.0 -25.0 . . . A . 48 PRO C . . A . 49 LEU N . . A . 49 LEU CA . . A . 49 LEU C . . . 48 . C . . . . . 49 . N . . . . . 49 . CA . . . . . 49 . C . . rr_1bor 1 13 . . 1 1 51 51 ALA C C . . 1 1 52 52 ASP N N . . 1 1 52 52 ASP CA C . . 1 1 52 52 ASP C C . -162.0 -78.0 . . . A . 51 ALA C . . A . 52 ASP N . . A . 52 ASP CA . . A . 52 ASP C . . . 51 . C . . . . . 52 . N . . . . . 52 . CA . . . . . 52 . C . . rr_1bor 1 14 . . 1 1 52 52 ASP C C . . 1 1 53 53 THR N N . . 1 1 53 53 THR CA C . . 1 1 53 53 THR C C . -161.0 -79.0 . . . A . 52 ASP C . . A . 53 THR N . . A . 53 THR CA . . A . 53 THR C . . . 52 . C . . . . . 53 . N . . . . . 53 . CA . . . . . 53 . C . . rr_1bor 1 15 . . 1 1 5 5 GLN N N . . 1 1 5 5 GLN CA C . . 1 1 5 5 GLN C C . . 1 1 6 6 PHE N N . 17.0 183.0 . . . A . 5 GLN N . . A . 5 GLN CA . . A . 5 GLN C . . A . 6 PHE N . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . . . . 6 . N . . rr_1bor 1 16 . . 1 1 7 7 LEU N N . . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU C C . . 1 1 8 8 ARG N N . 25.0 215.0 . . . A . 7 LEU N . . A . 7 LEU CA . . A . 7 LEU C . . A . 8 ARG N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . rr_1bor 1 17 . . 1 1 6 6 PHE N N . . 1 1 6 6 PHE CA C . . 1 1 6 6 PHE C C . . 1 1 7 7 LEU N N . 72.0 168.0 . . . A . 6 PHE N . . A . 6 PHE CA . . A . 6 PHE C . . A . 7 LEU N . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . . . . 7 . N . . rr_1bor 1 18 . . 1 1 15 15 GLU N N . . 1 1 15 15 GLU CA C . . 1 1 15 15 GLU C C . . 1 1 16 16 ALA N N . 90.0 210.0 . . . A . 15 GLU N . . A . 15 GLU CA . . A . 15 GLU C . . A . 16 ALA N . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . . . . 16 . N . . rr_1bor 1 19 . . 1 1 49 49 LEU N N . . 1 1 49 49 LEU CA C . . 1 1 49 49 LEU C C . . 1 1 50 50 GLY N N . 60.0 180.0 . . . A . 49 LEU N . . A . 49 LEU CA . . A . 49 LEU C . . A . 50 GLY N . . . 49 . N . . . . . 49 . CA . . . . . 49 . C . . . . . 50 . N . . rr_1bor 1 20 . . 1 1 51 51 ALA N N . . 1 1 51 51 ALA CA C . . 1 1 51 51 ALA C C . . 1 1 52 52 ASP N N . -215.0 -95.0 . . . A . 51 ALA N . . A . 51 ALA CA . . A . 51 ALA C . . A . 52 ASP N . . . 51 . N . . . . . 51 . CA . . . . . 51 . C . . . . . 52 . N . . rr_1bor 1 21 . . 1 1 52 52 ASP N N . . 1 1 52 52 ASP CA C . . 1 1 52 52 ASP C C . . 1 1 53 53 THR N N . 69.0 191.0 . . . A . 52 ASP N . . A . 52 ASP CA . . A . 52 ASP C . . A . 53 THR N . . . 52 . N . . . . . 52 . CA . . . . . 52 . C . . . . . 53 . N . . rr_1bor 1 22 . . 1 1 17 17 LYS C C . . 1 1 18 18 CYS N N . . 1 1 18 18 CYS CA C . . 1 1 18 18 CYS C C . -162.0 -78.0 . . . A . 17 LYS C . . A . 18 CYS N . . A . 18 CYS CA . . A . 18 CYS C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_1bor 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 ; assign (resid 26 and name N (resid 26 and name CA) (resid 26 and name C) (resid 27 and name N) 1.0 90.0 55.0 2 ; 81 1 84 42 rr_1bor 1 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 3 15 1 "Not handling restraint 15, resonance(s) ' .29.CG' (nmrStar names) not linked" rr_1bor 1 2 3 16 1 "Not handling restraint 16, resonance(s) ' .53.CG' (nmrStar names) not linked" rr_1bor 1 3 3 25 1 "Not handling restraint 25, resonance(s) ' .18.CG' (nmrStar names) not linked" rr_1bor 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_1bor _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 TRANSCRIPTION REGULATION 27-SEP-95 1BOR *TITLE TRANSCRIPTION FACTOR PML, A PROTO-ONCOPROTEIN, NMR, *TITLE 2 1 REPRESENTATIVE STRUCTURE AT PH 7.5, 30 C, IN THE PRESENCE *TITLE 3 OF ZINC *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: TRANSCRIPTION FACTOR PML; *COMPND 3 CHAIN: NULL; *COMPND 4 FRAGMENT: RING FINGER DOMAIN, RESIDUES 49 - 104; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN *KEYWDS PROTO-ONCOGENE, NUCLEAR BODIES (PODS), LEUKEMIA, *KEYWDS 2 TRANSCRIPTION REGULATION *EXPDTA NMR, 1 STRUCTURE *AUTHOR K.L.B.BORDEN,P.S.FREEMONT *REVDAT 1 01-APR-97 1BOR 0 ; save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_framecode MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1bor _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment 'THE ENTRY CONTAINS NO H ATOM COORDINATE RECORDS' save_