data_Remediated_restraints_file_for_PDB_entry_1hp9 # This BMRB archive file contains, for PDB entry 1hp9: # # - 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_1hp9 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1hp9' _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 1hp9' _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 1hp9 'Master copy' rr_1hp9 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1hp9 _Assembly.ID 1 _Assembly.Name 1hp9 _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 2654.8373 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 'kappa hefutoxin 1' 1 $kappa_hefutoxin_1 A . no . . . . . . rr_1hp9 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_kappa_hefutoxin_1 _Entity.Sf_category entity _Entity.Sf_framecode kappa_hefutoxin_1 _Entity.Entry_ID rr_1hp9 _Entity.ID 1 _Entity.Name kappa_hefutoxin_1 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; GHACYRNCWREGNDEETCKE RC ; _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 22 _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 2654.8373 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 . GLY . rr_1hp9 1 2 . HIS . rr_1hp9 1 3 . ALA . rr_1hp9 1 4 . CYS . rr_1hp9 1 5 . TYR . rr_1hp9 1 6 . ARG . rr_1hp9 1 7 . ASN . rr_1hp9 1 8 . CYS . rr_1hp9 1 9 . TRP . rr_1hp9 1 10 . ARG . rr_1hp9 1 11 . GLU . rr_1hp9 1 12 . GLY . rr_1hp9 1 13 . ASN . rr_1hp9 1 14 . ASP . rr_1hp9 1 15 . GLU . rr_1hp9 1 16 . GLU . rr_1hp9 1 17 . THR . rr_1hp9 1 18 . CYS . rr_1hp9 1 19 . LYS . rr_1hp9 1 20 . GLU . rr_1hp9 1 21 . ARG . rr_1hp9 1 22 . CYS . rr_1hp9 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 rr_1hp9 1 . HIS 2 2 rr_1hp9 1 . ALA 3 3 rr_1hp9 1 . CYS 4 4 rr_1hp9 1 . TYR 5 5 rr_1hp9 1 . ARG 6 6 rr_1hp9 1 . ASN 7 7 rr_1hp9 1 . CYS 8 8 rr_1hp9 1 . TRP 9 9 rr_1hp9 1 . ARG 10 10 rr_1hp9 1 . GLU 11 11 rr_1hp9 1 . GLY 12 12 rr_1hp9 1 . ASN 13 13 rr_1hp9 1 . ASP 14 14 rr_1hp9 1 . GLU 15 15 rr_1hp9 1 . GLU 16 16 rr_1hp9 1 . THR 17 17 rr_1hp9 1 . CYS 18 18 rr_1hp9 1 . LYS 19 19 rr_1hp9 1 . GLU 20 20 rr_1hp9 1 . ARG 21 21 rr_1hp9 1 . CYS 22 22 rr_1hp9 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1hp9 _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_1hp9 _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_1hp9 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_1hp9 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 GLY C C -11.469 -1.817 -1.738 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_1hp9 1 . 1 . 2 . 1 1 1 GLY CA C -12.456 -2.368 -2.703 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_1hp9 1 . 1 . 3 . 1 1 1 GLY H1 H -13.408 -3.141 -1.172 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_1hp9 1 . 1 . 4 . 1 1 1 GLY H2 H -14.507 -2.501 -2.355 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_1hp9 1 . 1 . 5 . 1 1 1 GLY H3 H -13.525 -1.468 -1.335 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_1hp9 1 . 1 . 6 . 1 1 1 GLY HA2 H -12.201 -3.376 -3.036 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_1hp9 1 . 1 . 7 . 1 1 1 GLY HA3 H -12.580 -1.688 -3.549 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_1hp9 1 . 1 . 8 . 1 1 1 GLY N N -13.608 -2.380 -1.850 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_1hp9 1 . 1 . 9 . 1 1 1 GLY O O -11.802 -0.903 -0.997 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_1hp9 1 . 1 . 10 . 1 1 2 HIS C C -8.595 -0.896 -0.953 . . . 1.0 . . . . . . . . . . . . A . 2 HIS C . . . . . . . . . rr_1hp9 1 . 1 . 11 . 1 1 2 HIS CA C -9.154 -1.697 -2.081 . . . 1.0 . . . . . . . . . . . . A . 2 HIS CA . . . . . . . . . rr_1hp9 1 . 1 . 12 . 1 1 2 HIS CB C -9.342 -0.770 -3.279 . . . 1.0 . . . . . . . . . . . . A . 2 HIS CB . . . . . . . . . rr_1hp9 1 . 1 . 13 . 1 1 2 HIS CD2 C -6.947 -1.372 -3.958 . . . 1.0 . . . . . . . . . . . . A . 2 HIS CD2 . . . . . . . . . rr_1hp9 1 . 1 . 14 . 1 1 2 HIS CE1 C -7.493 -2.373 -5.800 . . . 1.0 . . . . . . . . . . . . A . 2 HIS CE1 . . . . . . . . . rr_1hp9 1 . 1 . 15 . 1 1 2 HIS CG C -8.324 -1.307 -4.188 . . . 1.0 . . . . . . . . . . . . A . 2 HIS CG . . . . . . . . . rr_1hp9 1 . 1 . 16 . 1 1 2 HIS H H -10.252 -3.314 -2.353 . . . 1.0 . . . . . . . . . . . . A . 2 HIS H . . . . . . . . . rr_1hp9 1 . 1 . 17 . 1 1 2 HIS HA H -8.466 -2.534 -2.249 . . . 1.0 . . . . . . . . . . . . A . 2 HIS HA . . . . . . . . . rr_1hp9 1 . 1 . 18 . 1 1 2 HIS HB2 H -10.313 -0.856 -3.759 . . . 1.0 . . . . . . . . . . . . A . 2 HIS HB2 . . . . . . . . . rr_1hp9 1 . 1 . 19 . 1 1 2 HIS HB3 H -9.156 0.291 -3.102 . . . 1.0 . . . . . . . . . . . . A . 2 HIS HB3 . . . . . . . . . rr_1hp9 1 . 1 . 20 . 1 1 2 HIS HD1 H -9.554 -2.056 -5.694 . . . 1.0 . . . . . . . . . . . . A . 2 HIS HD1 . . . . . . . . . rr_1hp9 1 . 1 . 21 . 1 1 2 HIS HD2 H -6.419 -1.039 -3.072 . . . 1.0 . . . . . . . . . . . . A . 2 HIS HD2 . . . . . . . . . rr_1hp9 1 . 1 . 22 . 1 1 2 HIS HE1 H -7.417 -2.939 -6.713 . . . 1.0 . . . . . . . . . . . . A . 2 HIS HE1 . . . . . . . . . rr_1hp9 1 . 1 . 23 . 1 1 2 HIS N N -10.330 -2.458 -1.847 . . . 1.0 . . . . . . . . . . . . A . 2 HIS N . . . . . . . . . rr_1hp9 1 . 1 . 24 . 1 1 2 HIS ND1 N -8.659 -1.925 -5.322 . . . 1.0 . . . . . . . . . . . . A . 2 HIS ND1 . . . . . . . . . rr_1hp9 1 . 1 . 25 . 1 1 2 HIS NE2 N -6.459 -2.051 -5.005 . . . 1.0 . . . . . . . . . . . . A . 2 HIS NE2 . . . . . . . . . rr_1hp9 1 . 1 . 26 . 1 1 2 HIS O O -8.824 0.299 -0.803 . . . 1.0 . . . . . . . . . . . . A . 2 HIS O . . . . . . . . . rr_1hp9 1 . 1 . 27 . 1 1 3 ALA C C -5.416 -1.318 0.315 . . . 1.0 . . . . . . . . . . . . A . 3 ALA C . . . . . . . . . rr_1hp9 1 . 1 . 28 . 1 1 3 ALA CA C -6.853 -0.948 0.613 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CA . . . . . . . . . rr_1hp9 1 . 1 . 29 . 1 1 3 ALA CB C -7.328 -1.230 2.021 . . . 1.0 . . . . . . . . . . . . A . 3 ALA CB . . . . . . . . . rr_1hp9 1 . 1 . 30 . 1 1 3 ALA H H -7.758 -2.635 -0.330 . . . 1.0 . . . . . . . . . . . . A . 3 ALA H . . . . . . . . . rr_1hp9 1 . 1 . 31 . 1 1 3 ALA HA H -6.914 0.109 0.396 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HA . . . . . . . . . rr_1hp9 1 . 1 . 32 . 1 1 3 ALA HB1 H -6.718 -1.994 2.501 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB1 . . . . . . . . . rr_1hp9 1 . 1 . 33 . 1 1 3 ALA HB2 H -8.360 -1.582 1.993 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB2 . . . . . . . . . rr_1hp9 1 . 1 . 34 . 1 1 3 ALA HB3 H -7.310 -0.311 2.602 . . . 1.0 . . . . . . . . . . . . A . 3 ALA HB3 . . . . . . . . . rr_1hp9 1 . 1 . 35 . 1 1 3 ALA N N -7.747 -1.639 -0.262 . . . 1.0 . . . . . . . . . . . . A . 3 ALA N . . . . . . . . . rr_1hp9 1 . 1 . 36 . 1 1 3 ALA O O -4.503 -0.691 0.832 . . . 1.0 . . . . . . . . . . . . A . 3 ALA O . . . . . . . . . rr_1hp9 1 . 1 . 37 . 1 1 4 CYS C C -3.101 -1.665 -1.551 . . . 1.0 . . . . . . . . . . . . A . 4 CYS C . . . . . . . . . rr_1hp9 1 . 1 . 38 . 1 1 4 CYS CA C -3.943 -2.770 -0.896 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CA . . . . . . . . . rr_1hp9 1 . 1 . 39 . 1 1 4 CYS CB C -4.021 -3.925 -1.864 . . . 1.0 . . . . . . . . . . . . A . 4 CYS CB . . . . . . . . . rr_1hp9 1 . 1 . 40 . 1 1 4 CYS H H -5.988 -2.725 -1.151 . . . 1.0 . . . . . . . . . . . . A . 4 CYS H . . . . . . . . . rr_1hp9 1 . 1 . 41 . 1 1 4 CYS HA H -3.478 -3.115 0.027 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HA . . . . . . . . . rr_1hp9 1 . 1 . 42 . 1 1 4 CYS HB2 H -3.024 -4.349 -1.920 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB2 . . . . . . . . . rr_1hp9 1 . 1 . 43 . 1 1 4 CYS HB3 H -4.681 -4.730 -1.549 . . . 1.0 . . . . . . . . . . . . A . 4 CYS HB3 . . . . . . . . . rr_1hp9 1 . 1 . 44 . 1 1 4 CYS N N -5.276 -2.306 -0.590 . . . 1.0 . . . . . . . . . . . . A . 4 CYS N . . . . . . . . . rr_1hp9 1 . 1 . 45 . 1 1 4 CYS O O -1.921 -1.806 -1.683 . . . 1.0 . . . . . . . . . . . . A . 4 CYS O . . . . . . . . . rr_1hp9 1 . 1 . 46 . 1 1 4 CYS SG S -4.564 -3.287 -3.453 . . . 1.0 . . . . . . . . . . . . A . 4 CYS SG . . . . . . . . . rr_1hp9 1 . 1 . 47 . 1 1 5 TYR C C -3.210 1.835 -1.742 . . . 1.0 . . . . . . . . . . . . A . 5 TYR C . . . . . . . . . rr_1hp9 1 . 1 . 48 . 1 1 5 TYR CA C -2.939 0.556 -2.474 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CA . . . . . . . . . rr_1hp9 1 . 1 . 49 . 1 1 5 TYR CB C -3.314 0.783 -3.947 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CB . . . . . . . . . rr_1hp9 1 . 1 . 50 . 1 1 5 TYR CD1 C -1.069 -0.261 -4.555 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD1 . . . . . . . . . rr_1hp9 1 . 1 . 51 . 1 1 5 TYR CD2 C -2.438 0.726 -6.259 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CD2 . . . . . . . . . rr_1hp9 1 . 1 . 52 . 1 1 5 TYR CE1 C -0.096 -0.545 -5.493 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE1 . . . . . . . . . rr_1hp9 1 . 1 . 53 . 1 1 5 TYR CE2 C -1.472 0.417 -7.201 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CE2 . . . . . . . . . rr_1hp9 1 . 1 . 54 . 1 1 5 TYR CG C -2.246 0.394 -4.924 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CG . . . . . . . . . rr_1hp9 1 . 1 . 55 . 1 1 5 TYR CZ C -0.303 -0.212 -6.818 . . . 1.0 . . . . . . . . . . . . A . 5 TYR CZ . . . . . . . . . rr_1hp9 1 . 1 . 56 . 1 1 5 TYR H H -4.717 -0.575 -2.032 . . . 1.0 . . . . . . . . . . . . A . 5 TYR H . . . . . . . . . rr_1hp9 1 . 1 . 57 . 1 1 5 TYR HA H -1.883 0.419 -2.249 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HA . . . . . . . . . rr_1hp9 1 . 1 . 58 . 1 1 5 TYR HB2 H -4.229 0.243 -4.189 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB2 . . . . . . . . . rr_1hp9 1 . 1 . 59 . 1 1 5 TYR HB3 H -3.547 1.831 -4.153 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HB3 . . . . . . . . . rr_1hp9 1 . 1 . 60 . 1 1 5 TYR HD1 H -0.822 -0.588 -3.556 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD1 . . . . . . . . . rr_1hp9 1 . 1 . 61 . 1 1 5 TYR HD2 H -3.336 1.231 -6.572 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HD2 . . . . . . . . . rr_1hp9 1 . 1 . 62 . 1 1 5 TYR HE1 H 0.820 -1.015 -5.171 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE1 . . . . . . . . . rr_1hp9 1 . 1 . 63 . 1 1 5 TYR HE2 H -1.602 0.659 -8.242 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HE2 . . . . . . . . . rr_1hp9 1 . 1 . 64 . 1 1 5 TYR HH H 0.212 -0.568 -8.635 . . . 1.0 . . . . . . . . . . . . A . 5 TYR HH . . . . . . . . . rr_1hp9 1 . 1 . 65 . 1 1 5 TYR N N -3.728 -0.557 -1.958 . . . 1.0 . . . . . . . . . . . . A . 5 TYR N . . . . . . . . . rr_1hp9 1 . 1 . 66 . 1 1 5 TYR O O -2.758 2.885 -2.146 . . . 1.0 . . . . . . . . . . . . A . 5 TYR O . . . . . . . . . rr_1hp9 1 . 1 . 67 . 1 1 5 TYR OH O 0.625 -0.493 -7.789 . . . 1.0 . . . . . . . . . . . . A . 5 TYR OH . . . . . . . . . rr_1hp9 1 . 1 . 68 . 1 1 6 ARG C C -3.299 2.790 1.340 . . . 1.0 . . . . . . . . . . . . A . 6 ARG C . . . . . . . . . rr_1hp9 1 . 1 . 69 . 1 1 6 ARG CA C -4.224 2.852 0.157 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CA . . . . . . . . . rr_1hp9 1 . 1 . 70 . 1 1 6 ARG CB C -5.663 2.731 0.584 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CB . . . . . . . . . rr_1hp9 1 . 1 . 71 . 1 1 6 ARG CD C -6.906 4.664 0.060 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CD . . . . . . . . . rr_1hp9 1 . 1 . 72 . 1 1 6 ARG CG C -6.497 3.341 -0.500 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CG . . . . . . . . . rr_1hp9 1 . 1 . 73 . 1 1 6 ARG CZ C -8.861 5.773 -0.771 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CZ . . . . . . . . . rr_1hp9 1 . 1 . 74 . 1 1 6 ARG H H -4.488 0.855 -0.541 . . . 1.0 . . . . . . . . . . . . A . 6 ARG H . . . . . . . . . rr_1hp9 1 . 1 . 75 . 1 1 6 ARG HA H -4.021 3.786 -0.378 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HA . . . . . . . . . rr_1hp9 1 . 1 . 76 . 1 1 6 ARG HB2 H -5.908 1.696 0.739 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HB2 . . . . . . . . . rr_1hp9 1 . 1 . 77 . 1 1 6 ARG HB3 H -5.871 3.206 1.546 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HB3 . . . . . . . . . rr_1hp9 1 . 1 . 78 . 1 1 6 ARG HD2 H -7.480 4.467 0.967 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HD2 . . . . . . . . . rr_1hp9 1 . 1 . 79 . 1 1 6 ARG HD3 H -6.063 5.311 0.322 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HD3 . . . . . . . . . rr_1hp9 1 . 1 . 80 . 1 1 6 ARG HE H -7.157 5.154 -1.874 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HE . . . . . . . . . rr_1hp9 1 . 1 . 81 . 1 1 6 ARG HG2 H -5.944 3.495 -1.432 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HG2 . . . . . . . . . rr_1hp9 1 . 1 . 82 . 1 1 6 ARG HG3 H -7.361 2.724 -0.744 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HG3 . . . . . . . . . rr_1hp9 1 . 1 . 83 . 1 1 6 ARG HH11 H -8.774 5.462 1.215 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH11 . . . . . . . . . rr_1hp9 1 . 1 . 84 . 1 1 6 ARG HH12 H -10.360 5.813 0.607 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH12 . . . . . . . . . rr_1hp9 1 . 1 . 85 . 1 1 6 ARG HH21 H -9.282 6.176 -2.706 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH21 . . . . . . . . . rr_1hp9 1 . 1 . 86 . 1 1 6 ARG HH22 H -10.267 6.982 -1.537 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH22 . . . . . . . . . rr_1hp9 1 . 1 . 87 . 1 1 6 ARG N N -4.024 1.721 -0.705 . . . 1.0 . . . . . . . . . . . . A . 6 ARG N . . . . . . . . . rr_1hp9 1 . 1 . 88 . 1 1 6 ARG NE N -7.655 5.263 -1.005 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NE . . . . . . . . . rr_1hp9 1 . 1 . 89 . 1 1 6 ARG NH1 N -9.384 5.692 0.446 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NH1 . . . . . . . . . rr_1hp9 1 . 1 . 90 . 1 1 6 ARG NH2 N -9.526 6.351 -1.750 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NH2 . . . . . . . . . rr_1hp9 1 . 1 . 91 . 1 1 6 ARG O O -2.167 3.194 1.307 . . . 1.0 . . . . . . . . . . . . A . 6 ARG O . . . . . . . . . rr_1hp9 1 . 1 . 92 . 1 1 7 ASN C C -2.018 1.244 3.637 . . . 1.0 . . . . . . . . . . . . A . 7 ASN C . . . . . . . . . rr_1hp9 1 . 1 . 93 . 1 1 7 ASN CA C -3.023 2.380 3.624 . . . 1.0 . . . . . . . . . . . . A . 7 ASN CA . . . . . . . . . rr_1hp9 1 . 1 . 94 . 1 1 7 ASN CB C -3.847 2.389 4.895 . . . 1.0 . . . . . . . . . . . . A . 7 ASN CB . . . . . . . . . rr_1hp9 1 . 1 . 95 . 1 1 7 ASN CG C -4.539 3.747 5.016 . . . 1.0 . . . . . . . . . . . . A . 7 ASN CG . . . . . . . . . rr_1hp9 1 . 1 . 96 . 1 1 7 ASN H H -4.762 1.892 2.452 . . . 1.0 . . . . . . . . . . . . A . 7 ASN H . . . . . . . . . rr_1hp9 1 . 1 . 97 . 1 1 7 ASN HA H -2.482 3.315 3.563 . . . 1.0 . . . . . . . . . . . . A . 7 ASN HA . . . . . . . . . rr_1hp9 1 . 1 . 98 . 1 1 7 ASN HB2 H -4.570 1.574 4.862 . . . 1.0 . . . . . . . . . . . . A . 7 ASN HB2 . . . . . . . . . rr_1hp9 1 . 1 . 99 . 1 1 7 ASN HB3 H -3.210 2.236 5.767 . . . 1.0 . . . . . . . . . . . . A . 7 ASN HB3 . . . . . . . . . rr_1hp9 1 . 1 . 100 . 1 1 7 ASN HD21 H -6.255 2.744 5.326 . . . 1.0 . . . . . . . . . . . . A . 7 ASN HD21 . . . . . . . . . rr_1hp9 1 . 1 . 101 . 1 1 7 ASN HD22 H -6.331 4.517 5.204 . . . 1.0 . . . . . . . . . . . . A . 7 ASN HD22 . . . . . . . . . rr_1hp9 1 . 1 . 102 . 1 1 7 ASN N N -3.861 2.309 2.449 . . . 1.0 . . . . . . . . . . . . A . 7 ASN N . . . . . . . . . rr_1hp9 1 . 1 . 103 . 1 1 7 ASN ND2 N -5.850 3.643 5.198 . . . 1.0 . . . . . . . . . . . . A . 7 ASN ND2 . . . . . . . . . rr_1hp9 1 . 1 . 104 . 1 1 7 ASN O O -1.228 1.142 4.553 . . . 1.0 . . . . . . . . . . . . A . 7 ASN O . . . . . . . . . rr_1hp9 1 . 1 . 105 . 1 1 7 ASN OD1 O -3.974 4.818 4.848 . . . 1.0 . . . . . . . . . . . . A . 7 ASN OD1 . . . . . . . . . rr_1hp9 1 . 1 . 106 . 1 1 8 CYS C C 0.235 -0.341 2.833 . . . 1.0 . . . . . . . . . . . . A . 8 CYS C . . . . . . . . . rr_1hp9 1 . 1 . 107 . 1 1 8 CYS CA C -1.204 -0.729 2.453 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CA . . . . . . . . . rr_1hp9 1 . 1 . 108 . 1 1 8 CYS CB C -1.321 -1.251 1.026 . . . 1.0 . . . . . . . . . . . . A . 8 CYS CB . . . . . . . . . rr_1hp9 1 . 1 . 109 . 1 1 8 CYS H H -2.692 0.571 1.789 . . . 1.0 . . . . . . . . . . . . A . 8 CYS H . . . . . . . . . rr_1hp9 1 . 1 . 110 . 1 1 8 CYS HA H -1.563 -1.478 3.153 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HA . . . . . . . . . rr_1hp9 1 . 1 . 111 . 1 1 8 CYS HB2 H -2.348 -1.551 0.890 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB2 . . . . . . . . . rr_1hp9 1 . 1 . 112 . 1 1 8 CYS HB3 H -1.110 -0.476 0.285 . . . 1.0 . . . . . . . . . . . . A . 8 CYS HB3 . . . . . . . . . rr_1hp9 1 . 1 . 113 . 1 1 8 CYS N N -2.101 0.411 2.575 . . . 1.0 . . . . . . . . . . . . A . 8 CYS N . . . . . . . . . rr_1hp9 1 . 1 . 114 . 1 1 8 CYS O O 0.883 -0.926 3.699 . . . 1.0 . . . . . . . . . . . . A . 8 CYS O . . . . . . . . . rr_1hp9 1 . 1 . 115 . 1 1 8 CYS SG S -0.303 -2.680 0.678 . . . 1.0 . . . . . . . . . . . . A . 8 CYS SG . . . . . . . . . rr_1hp9 1 . 1 . 116 . 1 1 9 TRP C C 2.066 2.033 3.748 . . . 1.0 . . . . . . . . . . . . A . 9 TRP C . . . . . . . . . rr_1hp9 1 . 1 . 117 . 1 1 9 TRP CA C 1.976 1.236 2.453 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CA . . . . . . . . . rr_1hp9 1 . 1 . 118 . 1 1 9 TRP CB C 2.497 1.912 1.189 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CB . . . . . . . . . rr_1hp9 1 . 1 . 119 . 1 1 9 TRP CD1 C 3.000 4.322 1.781 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD1 . . . . . . . . . rr_1hp9 1 . 1 . 120 . 1 1 9 TRP CD2 C 1.102 4.121 0.542 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CD2 . . . . . . . . . rr_1hp9 1 . 1 . 121 . 1 1 9 TRP CE2 C 1.293 5.478 0.902 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE2 . . . . . . . . . rr_1hp9 1 . 1 . 122 . 1 1 9 TRP CE3 C -0.010 3.772 -0.175 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CE3 . . . . . . . . . rr_1hp9 1 . 1 . 123 . 1 1 9 TRP CG C 2.183 3.385 1.160 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CG . . . . . . . . . rr_1hp9 1 . 1 . 124 . 1 1 9 TRP CH2 C -0.692 6.099 -0.270 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CH2 . . . . . . . . . rr_1hp9 1 . 1 . 125 . 1 1 9 TRP CZ2 C 0.437 6.447 0.458 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ2 . . . . . . . . . rr_1hp9 1 . 1 . 126 . 1 1 9 TRP CZ3 C -0.889 4.771 -0.613 . . . 1.0 . . . . . . . . . . . . A . 9 TRP CZ3 . . . . . . . . . rr_1hp9 1 . 1 . 127 . 1 1 9 TRP H H 0.038 1.327 1.613 . . . 1.0 . . . . . . . . . . . . A . 9 TRP H . . . . . . . . . rr_1hp9 1 . 1 . 128 . 1 1 9 TRP HA H 2.582 0.361 2.625 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HA . . . . . . . . . rr_1hp9 1 . 1 . 129 . 1 1 9 TRP HB2 H 3.576 1.833 1.249 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB2 . . . . . . . . . rr_1hp9 1 . 1 . 130 . 1 1 9 TRP HB3 H 2.187 1.385 0.286 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HB3 . . . . . . . . . rr_1hp9 1 . 1 . 131 . 1 1 9 TRP HD1 H 3.913 4.069 2.305 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HD1 . . . . . . . . . rr_1hp9 1 . 1 . 132 . 1 1 9 TRP HE1 H 2.934 6.356 1.916 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE1 . . . . . . . . . rr_1hp9 1 . 1 . 133 . 1 1 9 TRP HE3 H -0.183 2.740 -0.439 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HE3 . . . . . . . . . rr_1hp9 1 . 1 . 134 . 1 1 9 TRP HH2 H -1.387 6.847 -0.611 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HH2 . . . . . . . . . rr_1hp9 1 . 1 . 135 . 1 1 9 TRP HZ2 H 0.622 7.475 0.705 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ2 . . . . . . . . . rr_1hp9 1 . 1 . 136 . 1 1 9 TRP HZ3 H -1.770 4.537 -1.168 . . . 1.0 . . . . . . . . . . . . A . 9 TRP HZ3 . . . . . . . . . rr_1hp9 1 . 1 . 137 . 1 1 9 TRP N N 0.618 0.799 2.228 . . . 1.0 . . . . . . . . . . . . A . 9 TRP N . . . . . . . . . rr_1hp9 1 . 1 . 138 . 1 1 9 TRP NE1 N 2.480 5.550 1.612 . . . 1.0 . . . . . . . . . . . . A . 9 TRP NE1 . . . . . . . . . rr_1hp9 1 . 1 . 139 . 1 1 9 TRP O O 2.972 1.917 4.557 . . . 1.0 . . . . . . . . . . . . A . 9 TRP O . . . . . . . . . rr_1hp9 1 . 1 . 140 . 1 1 10 ARG C C 1.170 2.981 6.452 . . . 1.0 . . . . . . . . . . . . A . 10 ARG C . . . . . . . . . rr_1hp9 1 . 1 . 141 . 1 1 10 ARG CA C 0.999 3.668 5.111 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CA . . . . . . . . . rr_1hp9 1 . 1 . 142 . 1 1 10 ARG CB C -0.341 4.357 5.132 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CB . . . . . . . . . rr_1hp9 1 . 1 . 143 . 1 1 10 ARG CD C -1.374 6.546 5.134 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CD . . . . . . . . . rr_1hp9 1 . 1 . 144 . 1 1 10 ARG CG C -0.085 5.804 4.990 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CG . . . . . . . . . rr_1hp9 1 . 1 . 145 . 1 1 10 ARG CZ C -1.022 8.795 6.001 . . . 1.0 . . . . . . . . . . . . A . 10 ARG CZ . . . . . . . . . rr_1hp9 1 . 1 . 146 . 1 1 10 ARG H H 0.254 2.807 3.294 . . . 1.0 . . . . . . . . . . . . A . 10 ARG H . . . . . . . . . rr_1hp9 1 . 1 . 147 . 1 1 10 ARG HA H 1.842 4.351 4.978 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HA . . . . . . . . . rr_1hp9 1 . 1 . 148 . 1 1 10 ARG HB2 H -0.913 4.084 4.266 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB2 . . . . . . . . . rr_1hp9 1 . 1 . 149 . 1 1 10 ARG HB3 H -0.948 4.151 6.020 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HB3 . . . . . . . . . rr_1hp9 1 . 1 . 150 . 1 1 10 ARG HD2 H -2.053 6.384 4.297 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD2 . . . . . . . . . rr_1hp9 1 . 1 . 151 . 1 1 10 ARG HD3 H -1.857 6.309 6.085 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HD3 . . . . . . . . . rr_1hp9 1 . 1 . 152 . 1 1 10 ARG HE H -0.116 7.898 4.382 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HE . . . . . . . . . rr_1hp9 1 . 1 . 153 . 1 1 10 ARG HG2 H 0.633 6.114 5.755 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG2 . . . . . . . . . rr_1hp9 1 . 1 . 154 . 1 1 10 ARG HG3 H 0.375 5.995 4.016 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HG3 . . . . . . . . . rr_1hp9 1 . 1 . 155 . 1 1 10 ARG HH11 H -2.391 7.741 7.007 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH11 . . . . . . . . . rr_1hp9 1 . 1 . 156 . 1 1 10 ARG HH12 H -2.118 9.323 7.659 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH12 . . . . . . . . . rr_1hp9 1 . 1 . 157 . 1 1 10 ARG HH21 H 0.500 9.789 5.211 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH21 . . . . . . . . . rr_1hp9 1 . 1 . 158 . 1 1 10 ARG HH22 H -0.324 10.676 6.445 . . . 1.0 . . . . . . . . . . . . A . 10 ARG HH22 . . . . . . . . . rr_1hp9 1 . 1 . 159 . 1 1 10 ARG N N 0.997 2.799 3.959 . . . 1.0 . . . . . . . . . . . . A . 10 ARG N . . . . . . . . . rr_1hp9 1 . 1 . 160 . 1 1 10 ARG NE N -0.850 7.873 5.068 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NE . . . . . . . . . rr_1hp9 1 . 1 . 161 . 1 1 10 ARG NH1 N -1.917 8.627 6.972 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH1 . . . . . . . . . rr_1hp9 1 . 1 . 162 . 1 1 10 ARG NH2 N -0.239 9.852 5.888 . . . 1.0 . . . . . . . . . . . . A . 10 ARG NH2 . . . . . . . . . rr_1hp9 1 . 1 . 163 . 1 1 10 ARG O O 1.489 3.614 7.443 . . . 1.0 . . . . . . . . . . . . A . 10 ARG O . . . . . . . . . rr_1hp9 1 . 1 . 164 . 1 1 11 GLU C C 2.555 0.729 7.902 . . . 1.0 . . . . . . . . . . . . A . 11 GLU C . . . . . . . . . rr_1hp9 1 . 1 . 165 . 1 1 11 GLU CA C 1.064 0.906 7.613 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CA . . . . . . . . . rr_1hp9 1 . 1 . 166 . 1 1 11 GLU CB C 0.273 -0.391 7.415 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CB . . . . . . . . . rr_1hp9 1 . 1 . 167 . 1 1 11 GLU CD C -2.134 -1.239 7.667 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CD . . . . . . . . . rr_1hp9 1 . 1 . 168 . 1 1 11 GLU CG C -1.106 -0.178 8.050 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CG . . . . . . . . . rr_1hp9 1 . 1 . 169 . 1 1 11 GLU H H 0.540 1.277 5.574 . . . 1.0 . . . . . . . . . . . . A . 11 GLU H . . . . . . . . . rr_1hp9 1 . 1 . 170 . 1 1 11 GLU HA H 0.656 1.482 8.448 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HA . . . . . . . . . rr_1hp9 1 . 1 . 171 . 1 1 11 GLU HB2 H 0.181 -0.614 6.348 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB2 . . . . . . . . . rr_1hp9 1 . 1 . 172 . 1 1 11 GLU HB3 H 0.779 -1.247 7.863 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB3 . . . . . . . . . rr_1hp9 1 . 1 . 173 . 1 1 11 GLU HG2 H -0.971 -0.175 9.134 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG2 . . . . . . . . . rr_1hp9 1 . 1 . 174 . 1 1 11 GLU HG3 H -1.499 0.801 7.779 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG3 . . . . . . . . . rr_1hp9 1 . 1 . 175 . 1 1 11 GLU N N 0.872 1.690 6.424 . . . 1.0 . . . . . . . . . . . . A . 11 GLU N . . . . . . . . . rr_1hp9 1 . 1 . 176 . 1 1 11 GLU O O 3.085 1.265 8.861 . . . 1.0 . . . . . . . . . . . . A . 11 GLU O . . . . . . . . . rr_1hp9 1 . 1 . 177 . 1 1 11 GLU OE1 O -2.814 -1.082 6.645 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE1 . . . . . . . . . rr_1hp9 1 . 1 . 178 . 1 1 11 GLU OE2 O -2.255 -2.197 8.421 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE2 . . . . . . . . . rr_1hp9 1 . 1 . 179 . 1 1 12 GLY C C 5.273 -0.887 6.073 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . rr_1hp9 1 . 1 . 180 . 1 1 12 GLY CA C 4.612 -0.323 7.318 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . rr_1hp9 1 . 1 . 181 . 1 1 12 GLY H H 2.723 -0.428 6.267 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . rr_1hp9 1 . 1 . 182 . 1 1 12 GLY HA2 H 5.105 0.602 7.621 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . rr_1hp9 1 . 1 . 183 . 1 1 12 GLY HA3 H 4.675 -1.056 8.124 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . rr_1hp9 1 . 1 . 184 . 1 1 12 GLY N N 3.199 -0.081 7.071 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . rr_1hp9 1 . 1 . 185 . 1 1 12 GLY O O 6.008 -1.859 6.153 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . rr_1hp9 1 . 1 . 186 . 1 1 13 ASN C C 5.622 0.519 2.798 . . . 1.0 . . . . . . . . . . . . A . 13 ASN C . . . . . . . . . rr_1hp9 1 . 1 . 187 . 1 1 13 ASN CA C 5.444 -0.738 3.654 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CA . . . . . . . . . rr_1hp9 1 . 1 . 188 . 1 1 13 ASN CB C 4.515 -1.751 2.960 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CB . . . . . . . . . rr_1hp9 1 . 1 . 189 . 1 1 13 ASN CG C 4.227 -3.005 3.799 . . . 1.0 . . . . . . . . . . . . A . 13 ASN CG . . . . . . . . . rr_1hp9 1 . 1 . 190 . 1 1 13 ASN H H 4.358 0.563 4.911 . . . 1.0 . . . . . . . . . . . . A . 13 ASN H . . . . . . . . . rr_1hp9 1 . 1 . 191 . 1 1 13 ASN HA H 6.430 -1.173 3.827 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HA . . . . . . . . . rr_1hp9 1 . 1 . 192 . 1 1 13 ASN HB2 H 3.564 -1.317 2.680 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HB2 . . . . . . . . . rr_1hp9 1 . 1 . 193 . 1 1 13 ASN HB3 H 4.968 -2.046 2.030 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HB3 . . . . . . . . . rr_1hp9 1 . 1 . 194 . 1 1 13 ASN HD21 H 2.575 -2.065 4.424 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HD21 . . . . . . . . . rr_1hp9 1 . 1 . 195 . 1 1 13 ASN HD22 H 2.989 -3.644 5.176 . . . 1.0 . . . . . . . . . . . . A . 13 ASN HD22 . . . . . . . . . rr_1hp9 1 . 1 . 196 . 1 1 13 ASN N N 4.892 -0.290 4.931 . . . 1.0 . . . . . . . . . . . . A . 13 ASN N . . . . . . . . . rr_1hp9 1 . 1 . 197 . 1 1 13 ASN ND2 N 3.147 -2.874 4.578 . . . 1.0 . . . . . . . . . . . . A . 13 ASN ND2 . . . . . . . . . rr_1hp9 1 . 1 . 198 . 1 1 13 ASN O O 5.168 1.590 3.191 . . . 1.0 . . . . . . . . . . . . A . 13 ASN O . . . . . . . . . rr_1hp9 1 . 1 . 199 . 1 1 13 ASN OD1 O 4.927 -4.014 3.819 . . . 1.0 . . . . . . . . . . . . A . 13 ASN OD1 . . . . . . . . . rr_1hp9 1 . 1 . 200 . 1 1 14 ASP C C 5.491 1.435 -0.356 . . . 1.0 . . . . . . . . . . . . A . 14 ASP C . . . . . . . . . rr_1hp9 1 . 1 . 201 . 1 1 14 ASP CA C 6.547 1.445 0.738 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CA . . . . . . . . . rr_1hp9 1 . 1 . 202 . 1 1 14 ASP CB C 7.939 1.272 0.109 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CB . . . . . . . . . rr_1hp9 1 . 1 . 203 . 1 1 14 ASP CG C 9.018 1.465 1.193 . . . 1.0 . . . . . . . . . . . . A . 14 ASP CG . . . . . . . . . rr_1hp9 1 . 1 . 204 . 1 1 14 ASP H H 6.585 -0.569 1.384 . . . 1.0 . . . . . . . . . . . . A . 14 ASP H . . . . . . . . . rr_1hp9 1 . 1 . 205 . 1 1 14 ASP HA H 6.492 2.386 1.292 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HA . . . . . . . . . rr_1hp9 1 . 1 . 206 . 1 1 14 ASP HB2 H 8.031 0.283 -0.346 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB2 . . . . . . . . . rr_1hp9 1 . 1 . 207 . 1 1 14 ASP HB3 H 8.125 2.000 -0.682 . . . 1.0 . . . . . . . . . . . . A . 14 ASP HB3 . . . . . . . . . rr_1hp9 1 . 1 . 208 . 1 1 14 ASP N N 6.262 0.342 1.643 . . . 1.0 . . . . . . . . . . . . A . 14 ASP N . . . . . . . . . rr_1hp9 1 . 1 . 209 . 1 1 14 ASP O O 4.676 0.528 -0.465 . . . 1.0 . . . . . . . . . . . . A . 14 ASP O . . . . . . . . . rr_1hp9 1 . 1 . 210 . 1 1 14 ASP OD1 O 9.057 2.532 1.817 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD1 . . . . . . . . . rr_1hp9 1 . 1 . 211 . 1 1 14 ASP OD2 O 9.795 0.543 1.425 . . . 1.0 . . . . . . . . . . . . A . 14 ASP OD2 . . . . . . . . . rr_1hp9 1 . 1 . 212 . 1 1 15 GLU C C 4.763 1.634 -3.364 . . . 1.0 . . . . . . . . . . . . A . 15 GLU C . . . . . . . . . rr_1hp9 1 . 1 . 213 . 1 1 15 GLU CA C 4.566 2.650 -2.234 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CA . . . . . . . . . rr_1hp9 1 . 1 . 214 . 1 1 15 GLU CB C 4.589 4.089 -2.777 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CB . . . . . . . . . rr_1hp9 1 . 1 . 215 . 1 1 15 GLU CD C 3.220 6.262 -2.723 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CD . . . . . . . . . rr_1hp9 1 . 1 . 216 . 1 1 15 GLU CG C 3.256 4.763 -2.430 . . . 1.0 . . . . . . . . . . . . A . 15 GLU CG . . . . . . . . . rr_1hp9 1 . 1 . 217 . 1 1 15 GLU H H 6.308 3.158 -1.044 . . . 1.0 . . . . . . . . . . . . A . 15 GLU H . . . . . . . . . rr_1hp9 1 . 1 . 218 . 1 1 15 GLU HA H 3.597 2.417 -1.789 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HA . . . . . . . . . rr_1hp9 1 . 1 . 219 . 1 1 15 GLU HB2 H 5.431 4.638 -2.353 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB2 . . . . . . . . . rr_1hp9 1 . 1 . 220 . 1 1 15 GLU HB3 H 4.745 4.112 -3.859 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HB3 . . . . . . . . . rr_1hp9 1 . 1 . 221 . 1 1 15 GLU HG2 H 2.454 4.251 -2.963 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG2 . . . . . . . . . rr_1hp9 1 . 1 . 222 . 1 1 15 GLU HG3 H 3.077 4.634 -1.365 . . . 1.0 . . . . . . . . . . . . A . 15 GLU HG3 . . . . . . . . . rr_1hp9 1 . 1 . 223 . 1 1 15 GLU N N 5.558 2.504 -1.169 . . . 1.0 . . . . . . . . . . . . A . 15 GLU N . . . . . . . . . rr_1hp9 1 . 1 . 224 . 1 1 15 GLU O O 3.918 1.437 -4.231 . . . 1.0 . . . . . . . . . . . . A . 15 GLU O . . . . . . . . . rr_1hp9 1 . 1 . 225 . 1 1 15 GLU OE1 O 4.151 6.954 -2.336 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE1 . . . . . . . . . rr_1hp9 1 . 1 . 226 . 1 1 15 GLU OE2 O 2.253 6.755 -3.309 . . . 1.0 . . . . . . . . . . . . A . 15 GLU OE2 . . . . . . . . . rr_1hp9 1 . 1 . 227 . 1 1 16 GLU C C 5.924 -1.384 -3.711 . . . 1.0 . . . . . . . . . . . . A . 16 GLU C . . . . . . . . . rr_1hp9 1 . 1 . 228 . 1 1 16 GLU CA C 6.230 0.003 -4.307 . . . 1.0 . . . . . . . . . . . . A . 16 GLU CA . . . . . . . . . rr_1hp9 1 . 1 . 229 . 1 1 16 GLU CB C 7.676 0.190 -4.738 . . . 1.0 . . . . . . . . . . . . A . 16 GLU CB . . . . . . . . . rr_1hp9 1 . 1 . 230 . 1 1 16 GLU CD C 10.039 -0.451 -4.090 . . . 1.0 . . . . . . . . . . . . A . 16 GLU CD . . . . . . . . . rr_1hp9 1 . 1 . 231 . 1 1 16 GLU CG C 8.661 -0.014 -3.574 . . . 1.0 . . . . . . . . . . . . A . 16 GLU CG . . . . . . . . . rr_1hp9 1 . 1 . 232 . 1 1 16 GLU H H 6.569 1.136 -2.553 . . . 1.0 . . . . . . . . . . . . A . 16 GLU H . . . . . . . . . rr_1hp9 1 . 1 . 233 . 1 1 16 GLU HA H 5.600 0.156 -5.185 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HA . . . . . . . . . rr_1hp9 1 . 1 . 234 . 1 1 16 GLU HB2 H 7.866 -0.492 -5.567 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HB2 . . . . . . . . . rr_1hp9 1 . 1 . 235 . 1 1 16 GLU HB3 H 7.809 1.194 -5.148 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HB3 . . . . . . . . . rr_1hp9 1 . 1 . 236 . 1 1 16 GLU HG2 H 8.748 0.895 -2.978 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HG2 . . . . . . . . . rr_1hp9 1 . 1 . 237 . 1 1 16 GLU HG3 H 8.337 -0.801 -2.899 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HG3 . . . . . . . . . rr_1hp9 1 . 1 . 238 . 1 1 16 GLU N N 5.940 1.007 -3.315 . . . 1.0 . . . . . . . . . . . . A . 16 GLU N . . . . . . . . . rr_1hp9 1 . 1 . 239 . 1 1 16 GLU O O 5.572 -2.317 -4.405 . . . 1.0 . . . . . . . . . . . . A . 16 GLU O . . . . . . . . . rr_1hp9 1 . 1 . 240 . 1 1 16 GLU OE1 O 10.104 -1.361 -4.915 . . . 1.0 . . . . . . . . . . . . A . 16 GLU OE1 . . . . . . . . . rr_1hp9 1 . 1 . 241 . 1 1 16 GLU OE2 O 11.040 0.109 -3.656 . . . 1.0 . . . . . . . . . . . . A . 16 GLU OE2 . . . . . . . . . rr_1hp9 1 . 1 . 242 . 1 1 17 THR C C 4.497 -3.472 -2.185 . . . 1.0 . . . . . . . . . . . . A . 17 THR C . . . . . . . . . rr_1hp9 1 . 1 . 243 . 1 1 17 THR CA C 5.827 -2.814 -1.783 . . . 1.0 . . . . . . . . . . . . A . 17 THR CA . . . . . . . . . rr_1hp9 1 . 1 . 244 . 1 1 17 THR CB C 5.809 -2.648 -0.271 . . . 1.0 . . . . . . . . . . . . A . 17 THR CB . . . . . . . . . rr_1hp9 1 . 1 . 245 . 1 1 17 THR CG2 C 5.601 -3.996 0.438 . . . 1.0 . . . . . . . . . . . . A . 17 THR CG2 . . . . . . . . . rr_1hp9 1 . 1 . 246 . 1 1 17 THR H H 6.204 -0.722 -1.782 . . . 1.0 . . . . . . . . . . . . A . 17 THR H . . . . . . . . . rr_1hp9 1 . 1 . 247 . 1 1 17 THR HA H 6.662 -3.429 -2.122 . . . 1.0 . . . . . . . . . . . . A . 17 THR HA . . . . . . . . . rr_1hp9 1 . 1 . 248 . 1 1 17 THR HB H 4.984 -1.978 -0.021 . . . 1.0 . . . . . . . . . . . . A . 17 THR HB . . . . . . . . . rr_1hp9 1 . 1 . 249 . 1 1 17 THR HG1 H 7.715 -2.468 -0.142 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG1 . . . . . . . . . rr_1hp9 1 . 1 . 250 . 1 1 17 THR HG21 H 4.573 -4.336 0.304 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG21 . . . . . . . . . rr_1hp9 1 . 1 . 251 . 1 1 17 THR HG22 H 5.787 -3.937 1.506 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG22 . . . . . . . . . rr_1hp9 1 . 1 . 252 . 1 1 17 THR HG23 H 6.257 -4.763 0.029 . . . 1.0 . . . . . . . . . . . . A . 17 THR HG23 . . . . . . . . . rr_1hp9 1 . 1 . 253 . 1 1 17 THR N N 5.997 -1.496 -2.379 . . . 1.0 . . . . . . . . . . . . A . 17 THR N . . . . . . . . . rr_1hp9 1 . 1 . 254 . 1 1 17 THR O O 4.412 -4.612 -2.636 . . . 1.0 . . . . . . . . . . . . A . 17 THR O . . . . . . . . . rr_1hp9 1 . 1 . 255 . 1 1 17 THR OG1 O 6.963 -1.976 0.157 . . . 1.0 . . . . . . . . . . . . A . 17 THR OG1 . . . . . . . . . rr_1hp9 1 . 1 . 256 . 1 1 18 CYS C C 1.966 -3.482 -3.738 . . . 1.0 . . . . . . . . . . . . A . 18 CYS C . . . . . . . . . rr_1hp9 1 . 1 . 257 . 1 1 18 CYS CA C 2.115 -3.146 -2.273 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CA . . . . . . . . . rr_1hp9 1 . 1 . 258 . 1 1 18 CYS CB C 1.122 -2.061 -1.927 . . . 1.0 . . . . . . . . . . . . A . 18 CYS CB . . . . . . . . . rr_1hp9 1 . 1 . 259 . 1 1 18 CYS H H 3.568 -1.768 -1.544 . . . 1.0 . . . . . . . . . . . . A . 18 CYS H . . . . . . . . . rr_1hp9 1 . 1 . 260 . 1 1 18 CYS HA H 1.938 -4.046 -1.687 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HA . . . . . . . . . rr_1hp9 1 . 1 . 261 . 1 1 18 CYS HB2 H 1.297 -1.157 -2.515 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB2 . . . . . . . . . rr_1hp9 1 . 1 . 262 . 1 1 18 CYS HB3 H 0.133 -2.428 -2.173 . . . 1.0 . . . . . . . . . . . . A . 18 CYS HB3 . . . . . . . . . rr_1hp9 1 . 1 . 263 . 1 1 18 CYS N N 3.448 -2.667 -1.971 . . . 1.0 . . . . . . . . . . . . A . 18 CYS N . . . . . . . . . rr_1hp9 1 . 1 . 264 . 1 1 18 CYS O O 1.169 -4.321 -4.125 . . . 1.0 . . . . . . . . . . . . A . 18 CYS O . . . . . . . . . rr_1hp9 1 . 1 . 265 . 1 1 18 CYS SG S 1.272 -1.698 -0.162 . . . 1.0 . . . . . . . . . . . . A . 18 CYS SG . . . . . . . . . rr_1hp9 1 . 1 . 266 . 1 1 19 LYS C C 3.043 -4.402 -6.354 . . . 1.0 . . . . . . . . . . . . A . 19 LYS C . . . . . . . . . rr_1hp9 1 . 1 . 267 . 1 1 19 LYS CA C 2.814 -2.952 -5.919 . . . 1.0 . . . . . . . . . . . . A . 19 LYS CA . . . . . . . . . rr_1hp9 1 . 1 . 268 . 1 1 19 LYS CB C 3.935 -2.098 -6.486 . . . 1.0 . . . . . . . . . . . . A . 19 LYS CB . . . . . . . . . rr_1hp9 1 . 1 . 269 . 1 1 19 LYS CD C 4.559 -1.229 -8.746 . . . 1.0 . . . . . . . . . . . . A . 19 LYS CD . . . . . . . . . rr_1hp9 1 . 1 . 270 . 1 1 19 LYS CE C 3.921 -1.495 -10.089 . . . 1.0 . . . . . . . . . . . . A . 19 LYS CE . . . . . . . . . rr_1hp9 1 . 1 . 271 . 1 1 19 LYS CG C 3.487 -1.743 -7.847 . . . 1.0 . . . . . . . . . . . . A . 19 LYS CG . . . . . . . . . rr_1hp9 1 . 1 . 272 . 1 1 19 LYS H H 3.443 -2.110 -4.126 . . . 1.0 . . . . . . . . . . . . A . 19 LYS H . . . . . . . . . rr_1hp9 1 . 1 . 273 . 1 1 19 LYS HA H 1.834 -2.635 -6.279 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HA . . . . . . . . . rr_1hp9 1 . 1 . 274 . 1 1 19 LYS HB2 H 4.092 -1.179 -5.927 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HB2 . . . . . . . . . rr_1hp9 1 . 1 . 275 . 1 1 19 LYS HB3 H 4.887 -2.634 -6.544 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HB3 . . . . . . . . . rr_1hp9 1 . 1 . 276 . 1 1 19 LYS HD2 H 4.746 -0.175 -8.521 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HD2 . . . . . . . . . rr_1hp9 1 . 1 . 277 . 1 1 19 LYS HD3 H 5.498 -1.770 -8.606 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HD3 . . . . . . . . . rr_1hp9 1 . 1 . 278 . 1 1 19 LYS HE2 H 3.888 -2.574 -10.263 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HE2 . . . . . . . . . rr_1hp9 1 . 1 . 279 . 1 1 19 LYS HE3 H 2.894 -1.118 -10.112 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HE3 . . . . . . . . . rr_1hp9 1 . 1 . 280 . 1 1 19 LYS HG2 H 3.015 -2.631 -8.278 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HG2 . . . . . . . . . rr_1hp9 1 . 1 . 281 . 1 1 19 LYS HG3 H 2.733 -0.978 -7.754 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HG3 . . . . . . . . . rr_1hp9 1 . 1 . 282 . 1 1 19 LYS HZ1 H 4.153 -1.188 -12.018 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HZ1 . . . . . . . . . rr_1hp9 1 . 1 . 283 . 1 1 19 LYS HZ2 H 5.611 -1.223 -11.060 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HZ2 . . . . . . . . . rr_1hp9 1 . 1 . 284 . 1 1 19 LYS HZ3 H 4.568 0.142 -10.994 . . . 1.0 . . . . . . . . . . . . A . 19 LYS HZ3 . . . . . . . . . rr_1hp9 1 . 1 . 285 . 1 1 19 LYS N N 2.790 -2.766 -4.502 . . . 1.0 . . . . . . . . . . . . A . 19 LYS N . . . . . . . . . rr_1hp9 1 . 1 . 286 . 1 1 19 LYS NZ N 4.635 -0.882 -11.155 . . . 1.0 . . . . . . . . . . . . A . 19 LYS NZ . . . . . . . . . rr_1hp9 1 . 1 . 287 . 1 1 19 LYS O O 2.365 -4.934 -7.227 . . . 1.0 . . . . . . . . . . . . A . 19 LYS O . . . . . . . . . rr_1hp9 1 . 1 . 288 . 1 1 20 GLU C C 3.280 -7.334 -5.577 . . . 1.0 . . . . . . . . . . . . A . 20 GLU C . . . . . . . . . rr_1hp9 1 . 1 . 289 . 1 1 20 GLU CA C 4.377 -6.376 -6.058 . . . 1.0 . . . . . . . . . . . . A . 20 GLU CA . . . . . . . . . rr_1hp9 1 . 1 . 290 . 1 1 20 GLU CB C 5.724 -6.725 -5.427 . . . 1.0 . . . . . . . . . . . . A . 20 GLU CB . . . . . . . . . rr_1hp9 1 . 1 . 291 . 1 1 20 GLU CD C 8.077 -6.362 -6.315 . . . 1.0 . . . . . . . . . . . . A . 20 GLU CD . . . . . . . . . rr_1hp9 1 . 1 . 292 . 1 1 20 GLU CG C 6.812 -5.678 -5.749 . . . 1.0 . . . . . . . . . . . . A . 20 GLU CG . . . . . . . . . rr_1hp9 1 . 1 . 293 . 1 1 20 GLU H H 4.641 -4.454 -5.115 . . . 1.0 . . . . . . . . . . . . A . 20 GLU H . . . . . . . . . rr_1hp9 1 . 1 . 294 . 1 1 20 GLU HA H 4.443 -6.444 -7.145 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HA . . . . . . . . . rr_1hp9 1 . 1 . 295 . 1 1 20 GLU HB2 H 5.625 -6.814 -4.345 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HB2 . . . . . . . . . rr_1hp9 1 . 1 . 296 . 1 1 20 GLU HB3 H 6.017 -7.715 -5.781 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HB3 . . . . . . . . . rr_1hp9 1 . 1 . 297 . 1 1 20 GLU HG2 H 6.464 -4.944 -6.478 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HG2 . . . . . . . . . rr_1hp9 1 . 1 . 298 . 1 1 20 GLU HG3 H 7.053 -5.096 -4.856 . . . 1.0 . . . . . . . . . . . . A . 20 GLU HG3 . . . . . . . . . rr_1hp9 1 . 1 . 299 . 1 1 20 GLU N N 4.052 -5.002 -5.718 . . . 1.0 . . . . . . . . . . . . A . 20 GLU N . . . . . . . . . rr_1hp9 1 . 1 . 300 . 1 1 20 GLU O O 3.163 -8.470 -6.016 . . . 1.0 . . . . . . . . . . . . A . 20 GLU O . . . . . . . . . rr_1hp9 1 . 1 . 301 . 1 1 20 GLU OE1 O 8.725 -7.130 -5.600 . . . 1.0 . . . . . . . . . . . . A . 20 GLU OE1 . . . . . . . . . rr_1hp9 1 . 1 . 302 . 1 1 20 GLU OE2 O 8.386 -6.164 -7.493 . . . 1.0 . . . . . . . . . . . . A . 20 GLU OE2 . . . . . . . . . rr_1hp9 1 . 1 . 303 . 1 1 21 ARG C C 0.137 -7.570 -4.781 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . rr_1hp9 1 . 1 . 304 . 1 1 21 ARG CA C 1.462 -7.676 -4.066 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . rr_1hp9 1 . 1 . 305 . 1 1 21 ARG CB C 1.365 -7.378 -2.594 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . rr_1hp9 1 . 1 . 306 . 1 1 21 ARG CD C 2.454 -8.075 -0.405 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . rr_1hp9 1 . 1 . 307 . 1 1 21 ARG CG C 2.448 -8.255 -1.916 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . rr_1hp9 1 . 1 . 308 . 1 1 21 ARG CZ C 3.313 -7.691 1.717 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . rr_1hp9 1 . 1 . 309 . 1 1 21 ARG H H 2.672 -5.900 -4.279 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . rr_1hp9 1 . 1 . 310 . 1 1 21 ARG HA H 1.752 -8.719 -4.187 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . rr_1hp9 1 . 1 . 311 . 1 1 21 ARG HB2 H 1.525 -6.307 -2.417 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . rr_1hp9 1 . 1 . 312 . 1 1 21 ARG HB3 H 0.378 -7.589 -2.171 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . rr_1hp9 1 . 1 . 313 . 1 1 21 ARG HD2 H 1.544 -8.456 0.045 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . rr_1hp9 1 . 1 . 314 . 1 1 21 ARG HD3 H 2.280 -7.054 -0.666 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . rr_1hp9 1 . 1 . 315 . 1 1 21 ARG HE H 3.486 -6.275 0.313 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . rr_1hp9 1 . 1 . 316 . 1 1 21 ARG HG2 H 2.125 -9.283 -2.097 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . rr_1hp9 1 . 1 . 317 . 1 1 21 ARG HG3 H 3.417 -8.147 -2.404 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . rr_1hp9 1 . 1 . 318 . 1 1 21 ARG HH11 H 4.746 -8.791 0.990 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . rr_1hp9 1 . 1 . 319 . 1 1 21 ARG HH12 H 4.558 -8.973 2.702 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . rr_1hp9 1 . 1 . 320 . 1 1 21 ARG HH21 H 1.722 -6.698 2.470 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . rr_1hp9 1 . 1 . 321 . 1 1 21 ARG HH22 H 2.598 -7.638 3.625 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . rr_1hp9 1 . 1 . 322 . 1 1 21 ARG N N 2.499 -6.832 -4.616 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . rr_1hp9 1 . 1 . 323 . 1 1 21 ARG NE N 3.220 -7.233 0.485 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . rr_1hp9 1 . 1 . 324 . 1 1 21 ARG NH1 N 4.275 -8.570 1.847 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . rr_1hp9 1 . 1 . 325 . 1 1 21 ARG NH2 N 2.476 -7.326 2.691 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . rr_1hp9 1 . 1 . 326 . 1 1 21 ARG O O -0.296 -8.512 -5.424 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . rr_1hp9 1 . 1 . 327 . 1 1 22 CYS C C -1.833 -6.120 -6.548 . . . 1.0 . . . . . . . . . . . . A . 22 CYS C . . . . . . . . . rr_1hp9 1 . 1 . 328 . 1 1 22 CYS CA C -1.849 -6.241 -5.031 . . . 1.0 . . . . . . . . . . . . A . 22 CYS CA . . . . . . . . . rr_1hp9 1 . 1 . 329 . 1 1 22 CYS CB C -2.371 -4.916 -4.521 . . . 1.0 . . . . . . . . . . . . A . 22 CYS CB . . . . . . . . . rr_1hp9 1 . 1 . 330 . 1 1 22 CYS H H -0.043 -5.726 -3.989 . . . 1.0 . . . . . . . . . . . . A . 22 CYS H . . . . . . . . . rr_1hp9 1 . 1 . 331 . 1 1 22 CYS HA H -2.469 -7.077 -4.696 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HA . . . . . . . . . rr_1hp9 1 . 1 . 332 . 1 1 22 CYS HB2 H -2.033 -4.830 -3.500 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HB2 . . . . . . . . . rr_1hp9 1 . 1 . 333 . 1 1 22 CYS HB3 H -1.928 -4.059 -5.034 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HB3 . . . . . . . . . rr_1hp9 1 . 1 . 334 . 1 1 22 CYS N N -0.523 -6.449 -4.494 . . . 1.0 . . . . . . . . . . . . A . 22 CYS N . . . . . . . . . rr_1hp9 1 . 1 . 335 . 1 1 22 CYS O O -0.970 -5.407 -7.050 . . . 1.0 . . . . . . . . . . . . A . 22 CYS O . . . . . . . . . rr_1hp9 1 . 1 . 336 . 1 1 22 CYS OXT O -2.701 -6.699 -7.195 . . . 1.0 . . . . . . . . . . . . A . 22 CYS OXT . . . . . . . . . rr_1hp9 1 . 1 . 337 . 1 1 22 CYS SG S -4.188 -4.874 -4.606 . . . 1.0 . . . . . . . . . . . . A . 22 CYS SG . . . . . . . . . rr_1hp9 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_1hp9 _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 1hp9.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1hp9 1 1 1hp9.mr . . XPLOR/CNS 2 'dihedral angle' 'Not applicable' 'Not applicable' 20 rr_1hp9 1 1 1hp9.mr . . XPLOR/CNS 3 distance NOE simple 159 rr_1hp9 1 1 1hp9.mr . . XPLOR/CNS 4 distance 'hydrogen bond' simple 10 rr_1hp9 1 1 1hp9.mr . . 'MR format' 5 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1hp9 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_3 _Gen_dist_constraint_list.Entry_ID rr_1hp9 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1hp9 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 3 3 ALA HA H . . . 1 1 3 3 ALA H H . . . . . 3.5 1.8 4.0 . . . . . A . 3 ALA HA . . A . 3 ALA H . . . 3 . HA . . . . . 3 . HN . . rr_1hp9 1 2 1 . . 1 1 3 3 ALA HA H . . . 1 1 4 4 CYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 3 ALA HA . . A . 4 CYS H . . . 3 . HA . . . . . 4 . HN . . rr_1hp9 1 3 1 OR . 1 1 3 3 ALA HA H . . . 1 1 6 6 ARG HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 ALA HA . . A . 6 ARG HB2 . . . 3 . HA . . . . . 6 . HB# . . rr_1hp9 1 3 2 OR . 1 1 3 3 ALA HA H . . . 1 1 6 6 ARG HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 3 ALA HA . . A . 6 ARG HB3 . . . 3 . HA . . . . . 6 . HB# . . rr_1hp9 1 4 1 . . 1 1 4 4 CYS H H . . . 1 1 3 3 ALA MB H . . . . . 3.5 1.8 4.5 . . . . . A . 4 CYS H . . A . 3 ALA MB . . . 4 . HN . . . . . 3 . HB# . . rr_1hp9 1 5 1 . . 1 1 3 3 ALA H H . . . 1 1 3 3 ALA MB H . . . . . 2.5 1.8 3.5 . . . . . A . 3 ALA H . . A . 3 ALA MB . . . 3 . HN . . . . . 3 . HB# . . rr_1hp9 1 6 1 . . 1 1 3 3 ALA H H . . . 1 1 4 4 CYS H H . . . . . 4.0 1.8 4.5 . . . . . A . 3 ALA H . . A . 4 CYS H . . . 3 . HN . . . . . 4 . HN . . rr_1hp9 1 7 1 . . 1 1 3 3 ALA MB H . . . 1 1 7 7 ASN H H . . . . . 6.0 1.8 7.0 . . . . . A . 3 ALA MB . . A . 7 ASN H . . . 3 . HB# . . . . . 7 . HN . . rr_1hp9 1 8 1 OR . 1 1 3 3 ALA MB H . . . 1 1 7 7 ASN HD22 H . . . . . 6.0 1.8 7.0 . . . . . A . 3 ALA MB . . A . 7 ASN HD22 . . . 3 . HB# . . . . . 7 . HD# . . rr_1hp9 1 8 2 OR . 1 1 3 3 ALA MB H . . . 1 1 7 7 ASN HD21 H . . . . . 6.0 1.8 7.0 . . . . . A . 3 ALA MB . . A . 7 ASN HD21 . . . 3 . HB# . . . . . 7 . HD# . . rr_1hp9 1 9 1 OR . 1 1 22 22 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 22 CYS H . . A . 4 CYS HB2 . . . 22 . HN . . . . . 4 . HB# . . rr_1hp9 1 9 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 22 22 CYS H H . . . . . 3.5 1.8 4.5 . . . . . A . 4 CYS HB3 . . A . 22 CYS H . . . 4 . HB# . . . . . 22 . HN . . rr_1hp9 1 10 1 OR . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB2 H . . . . . 2.3 1.8 3.3 . . . . . A . 4 CYS H . . A . 4 CYS HB2 . . . 4 . HN . . . . . 4 . HB# . . rr_1hp9 1 10 2 OR . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HB3 H . . . . . 2.3 1.8 3.3 . . . . . A . 4 CYS H . . A . 4 CYS HB3 . . . 4 . HN . . . . . 4 . HB# . . rr_1hp9 1 11 1 . . 1 1 4 4 CYS H H . . . 1 1 4 4 CYS HA H . . . . . 3.5 1.8 4.0 . . . . . A . 4 CYS H . . A . 4 CYS HA . . . 4 . HN . . . . . 4 . HA . . rr_1hp9 1 12 1 OR . 1 1 4 4 CYS HB2 H . . . 1 1 22 22 CYS HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 4 CYS HB2 . . A . 22 CYS HB2 . . . 4 . HB# . . . . . 22 . HB# . . rr_1hp9 1 12 2 OR . 1 1 4 4 CYS HB3 H . . . 1 1 22 22 CYS HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 4 CYS HB3 . . A . 22 CYS HB2 . . . 4 . HB# . . . . . 22 . HB# . . rr_1hp9 1 12 3 OR . 1 1 22 22 CYS HB3 H . . . 1 1 4 4 CYS HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 22 CYS HB3 . . A . 4 CYS HB2 . . . 22 . HB# . . . . . 4 . HB# . . rr_1hp9 1 12 4 OR . 1 1 4 4 CYS HB3 H . . . 1 1 22 22 CYS HB3 H . . . . . 5.0 1.8 6.0 . . . . . A . 4 CYS HB3 . . A . 22 CYS HB3 . . . 4 . HB# . . . . . 22 . HB# . . rr_1hp9 1 13 1 OR . 1 1 19 19 LYS HG3 H . . . 1 1 5 5 TYR HE1 H . . . . . 5.0 1.8 6.5 . . . . . A . 19 LYS HG3 . . A . 5 TYR HE1 . . . 19 . HG# . . . . . 5 . HE# . . rr_1hp9 1 13 2 OR . 1 1 5 5 TYR HE1 H . . . 1 1 19 19 LYS HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 5 TYR HE1 . . A . 19 LYS HG2 . . . 5 . HE# . . . . . 19 . HG# . . rr_1hp9 1 13 3 OR . 1 1 19 19 LYS HG3 H . . . 1 1 5 5 TYR HE2 H . . . . . 5.0 1.8 6.5 . . . . . A . 19 LYS HG3 . . A . 5 TYR HE2 . . . 19 . HG# . . . . . 5 . HE# . . rr_1hp9 1 13 4 OR . 1 1 5 5 TYR HE2 H . . . 1 1 19 19 LYS HG2 H . . . . . 5.0 1.8 6.5 . . . . . A . 5 TYR HE2 . . A . 19 LYS HG2 . . . 5 . HE# . . . . . 19 . HG# . . rr_1hp9 1 14 1 OR . 1 1 5 5 TYR HE1 H . . . 1 1 19 19 LYS HD2 H . . . . . 5.5 1.8 6.5 . . . . . A . 5 TYR HE1 . . A . 19 LYS HD2 . . . 5 . HE# . . . . . 19 . HD# . . rr_1hp9 1 14 2 OR . 1 1 19 19 LYS HD3 H . . . 1 1 5 5 TYR HE1 H . . . . . 5.5 1.8 6.5 . . . . . A . 19 LYS HD3 . . A . 5 TYR HE1 . . . 19 . HD# . . . . . 5 . HE# . . rr_1hp9 1 14 3 OR . 1 1 19 19 LYS HD3 H . . . 1 1 5 5 TYR HE2 H . . . . . 5.5 1.8 6.5 . . . . . A . 19 LYS HD3 . . A . 5 TYR HE2 . . . 19 . HD# . . . . . 5 . HE# . . rr_1hp9 1 14 4 OR . 1 1 5 5 TYR HE2 H . . . 1 1 19 19 LYS HD2 H . . . . . 5.5 1.8 6.5 . . . . . A . 5 TYR HE2 . . A . 19 LYS HD2 . . . 5 . HE# . . . . . 19 . HD# . . rr_1hp9 1 15 1 OR . 1 1 6 6 ARG H H . . . 1 1 5 5 TYR HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 6 ARG H . . A . 5 TYR HB2 . . . 6 . HN . . . . . 5 . HB# . . rr_1hp9 1 15 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 6 6 ARG H H . . . . . 3.5 1.8 4.5 . . . . . A . 5 TYR HB3 . . A . 6 ARG H . . . 5 . HB# . . . . . 6 . HN . . rr_1hp9 1 16 1 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR HE1 H . . . . . 5.5 1.8 7.0 . . . . . A . 5 TYR HB3 . . A . 5 TYR HE1 . . . 5 . HB# . . . . . 5 . HE# . . rr_1hp9 1 16 2 OR . 1 1 5 5 TYR HB2 H . . . 1 1 5 5 TYR HE2 H . . . . . 5.5 1.8 7.0 . . . . . A . 5 TYR HB2 . . A . 5 TYR HE2 . . . 5 . HB# . . . . . 5 . HE# . . rr_1hp9 1 16 3 OR . 1 1 5 5 TYR HE1 H . . . 1 1 5 5 TYR HB2 H . . . . . 5.5 1.8 7.0 . . . . . A . 5 TYR HE1 . . A . 5 TYR HB2 . . . 5 . HE# . . . . . 5 . HB# . . rr_1hp9 1 16 4 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR HE2 H . . . . . 5.5 1.8 7.0 . . . . . A . 5 TYR HB3 . . A . 5 TYR HE2 . . . 5 . HB# . . . . . 5 . HE# . . rr_1hp9 1 17 1 OR . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HB2 H . . . . . 2.3 1.8 3.8 . . . . . A . 5 TYR QD . . A . 5 TYR HB2 . . . 5 . HD# . . . . . 5 . HB# . . rr_1hp9 1 17 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR QD H . . . . . 2.3 1.8 3.8 . . . . . A . 5 TYR HB3 . . A . 5 TYR QD . . . 5 . HB# . . . . . 5 . HD# . . rr_1hp9 1 18 1 OR . 1 1 5 5 TYR HE1 H . . . 1 1 5 5 TYR HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 5 TYR HE1 . . A . 5 TYR HB2 . . . 5 . HE# . . . . . 5 . HB# . . rr_1hp9 1 18 2 OR . 1 1 5 5 TYR HB2 H . . . 1 1 5 5 TYR HE2 H . . . . . 4.0 1.8 5.5 . . . . . A . 5 TYR HB2 . . A . 5 TYR HE2 . . . 5 . HB# . . . . . 5 . HE# . . rr_1hp9 1 18 3 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR HE1 H . . . . . 4.0 1.8 5.5 . . . . . A . 5 TYR HB3 . . A . 5 TYR HE1 . . . 5 . HB# . . . . . 5 . HE# . . rr_1hp9 1 18 4 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR HE2 H . . . . . 4.0 1.8 5.5 . . . . . A . 5 TYR HB3 . . A . 5 TYR HE2 . . . 5 . HB# . . . . . 5 . HE# . . rr_1hp9 1 19 1 OR . 1 1 5 5 TYR HE1 H . . . 1 1 18 18 CYS HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 5 TYR HE1 . . A . 18 CYS HB2 . . . 5 . HE# . . . . . 18 . HB# . . rr_1hp9 1 19 2 OR . 1 1 18 18 CYS HB3 H . . . 1 1 5 5 TYR HE1 H . . . . . 4.0 1.8 5.5 . . . . . A . 18 CYS HB3 . . A . 5 TYR HE1 . . . 18 . HB# . . . . . 5 . HE# . . rr_1hp9 1 19 3 OR . 1 1 18 18 CYS HB3 H . . . 1 1 5 5 TYR HE2 H . . . . . 4.0 1.8 5.5 . . . . . A . 18 CYS HB3 . . A . 5 TYR HE2 . . . 18 . HB# . . . . . 5 . HE# . . rr_1hp9 1 19 4 OR . 1 1 5 5 TYR HE2 H . . . 1 1 18 18 CYS HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 5 TYR HE2 . . A . 18 CYS HB2 . . . 5 . HE# . . . . . 18 . HB# . . rr_1hp9 1 20 1 OR . 1 1 5 5 TYR QD H . . . 1 1 18 18 CYS HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 5 TYR QD . . A . 18 CYS HB2 . . . 5 . HD# . . . . . 18 . HB# . . rr_1hp9 1 20 2 OR . 1 1 5 5 TYR QD H . . . 1 1 18 18 CYS HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 5 TYR QD . . A . 18 CYS HB3 . . . 5 . HD# . . . . . 18 . HB# . . rr_1hp9 1 21 1 OR . 1 1 5 5 TYR HB3 H . . . 1 1 8 8 CYS HB2 H . . . . . 4.5 1.8 5.5 . . . . . A . 5 TYR HB3 . . A . 8 CYS HB2 . . . 5 . HB# . . . . . 8 . HB# . . rr_1hp9 1 21 2 OR . 1 1 5 5 TYR HB2 H . . . 1 1 8 8 CYS HB2 H . . . . . 4.5 1.8 5.5 . . . . . A . 5 TYR HB2 . . A . 8 CYS HB2 . . . 5 . HB# . . . . . 8 . HB# . . rr_1hp9 1 21 3 OR . 1 1 8 8 CYS HB3 H . . . 1 1 5 5 TYR HB2 H . . . . . 4.5 1.8 5.5 . . . . . A . 8 CYS HB3 . . A . 5 TYR HB2 . . . 8 . HB# . . . . . 5 . HB# . . rr_1hp9 1 21 4 OR . 1 1 5 5 TYR HB3 H . . . 1 1 8 8 CYS HB3 H . . . . . 4.5 1.8 5.5 . . . . . A . 5 TYR HB3 . . A . 8 CYS HB3 . . . 5 . HB# . . . . . 8 . HB# . . rr_1hp9 1 22 1 . . 1 1 6 6 ARG H H . . . 1 1 5 5 TYR HA H . . . . . 5.0 1.8 5.5 . . . . . A . 6 ARG H . . A . 5 TYR HA . . . 6 . HN . . . . . 5 . HA . . rr_1hp9 1 23 1 . . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR H H . . . . . 3.5 1.5 5.0 . . . . . A . 5 TYR QD . . A . 5 TYR H . . . 5 . HD# . . . . . 5 . HN . . rr_1hp9 1 24 1 OR . 1 1 19 19 LYS H H . . . 1 1 5 5 TYR HE1 H . . . . . 5.0 1.8 6.0 . . . . . A . 19 LYS H . . A . 5 TYR HE1 . . . 19 . HN . . . . . 5 . HE# . . rr_1hp9 1 24 2 OR . 1 1 19 19 LYS H H . . . 1 1 5 5 TYR HE2 H . . . . . 5.0 1.8 6.0 . . . . . A . 19 LYS H . . A . 5 TYR HE2 . . . 19 . HN . . . . . 5 . HE# . . rr_1hp9 1 25 1 . . 1 1 4 4 CYS H H . . . 1 1 5 5 TYR QD H . . . . . 5.0 1.8 6.5 . . . . . A . 4 CYS H . . A . 5 TYR QD . . . 4 . HN . . . . . 5 . HD# . . rr_1hp9 1 26 1 . . 1 1 5 5 TYR QD H . . . 1 1 19 19 LYS HA H . . . . . 5.5 1.8 7.0 . . . . . A . 5 TYR QD . . A . 19 LYS HA . . . 5 . HD# . . . . . 19 . HA . . rr_1hp9 1 27 1 OR . 1 1 5 5 TYR H H . . . 1 1 5 5 TYR HB2 H . . . . . 2.5 1.8 3.5 . . . . . A . 5 TYR H . . A . 5 TYR HB2 . . . 5 . HN . . . . . 5 . HB# . . rr_1hp9 1 27 2 OR . 1 1 5 5 TYR HB3 H . . . 1 1 5 5 TYR H H . . . . . 2.5 1.8 3.5 . . . . . A . 5 TYR HB3 . . A . 5 TYR H . . . 5 . HB# . . . . . 5 . HN . . rr_1hp9 1 28 1 . . 1 1 19 19 LYS HA H . . . 1 1 5 5 TYR HE1 H . . . . . 3.0 1.8 4.5 . . . . . A . 19 LYS HA . . A . 5 TYR HE1 . . . 19 . HA . . . . . 5 . HE1 . . rr_1hp9 1 29 1 OR . 1 1 5 5 TYR HA H . . . 1 1 8 8 CYS HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 5 TYR HA . . A . 8 CYS HB2 . . . 5 . HA . . . . . 8 . HB# . . rr_1hp9 1 29 2 OR . 1 1 8 8 CYS HB3 H . . . 1 1 5 5 TYR HA H . . . . . 5.0 1.8 6.0 . . . . . A . 8 CYS HB3 . . A . 5 TYR HA . . . 8 . HB# . . . . . 5 . HA . . rr_1hp9 1 30 1 . . 1 1 5 5 TYR HA H . . . 1 1 5 5 TYR H H . . . . . 3.5 1.8 4.0 . . . . . A . 5 TYR HA . . A . 5 TYR H . . . 5 . HA . . . . . 5 . HN . . rr_1hp9 1 31 1 . . 1 1 5 5 TYR QD H . . . 1 1 5 5 TYR HA H . . . . . 3.5 1.8 4.0 . . . . . A . 5 TYR QD . . A . 5 TYR HA . . . 5 . HD# . . . . . 5 . HA . . rr_1hp9 1 32 1 . . 1 1 5 5 TYR QD H . . . 1 1 16 16 GLU HA H . . . . . 6.5 1.8 8.0 . . . . . A . 5 TYR QD . . A . 16 GLU HA . . . 5 . HD# . . . . . 16 . HA . . rr_1hp9 1 33 1 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HB2 H . . . . . 2.5 1.8 3.5 . . . . . A . 6 ARG H . . A . 6 ARG HB2 . . . 6 . HN . . . . . 6 . HB# . . rr_1hp9 1 33 2 OR . 1 1 6 6 ARG HB3 H . . . 1 1 6 6 ARG H H . . . . . 2.5 1.8 3.5 . . . . . A . 6 ARG HB3 . . A . 6 ARG H . . . 6 . HB# . . . . . 6 . HN . . rr_1hp9 1 34 1 . . 1 1 7 7 ASN H H . . . 1 1 6 6 ARG HA H . . . . . 4.5 1.8 5.0 . . . . . A . 7 ASN H . . A . 6 ARG HA . . . 7 . HN . . . . . 6 . HA . . rr_1hp9 1 35 1 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HG2 H . . . . . 5.0 1.8 6.0 . . . . . A . 6 ARG H . . A . 6 ARG HG2 . . . 6 . HN . . . . . 6 . HG# . . rr_1hp9 1 35 2 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HG3 H . . . . . 5.0 1.8 6.0 . . . . . A . 6 ARG H . . A . 6 ARG HG3 . . . 6 . HN . . . . . 6 . HG# . . rr_1hp9 1 36 1 . . 1 1 6 6 ARG HA H . . . 1 1 9 9 TRP H H . . . . . 5.5 1.8 6.0 . . . . . A . 6 ARG HA . . A . 9 TRP H . . . 6 . HA . . . . . 9 . HN . . rr_1hp9 1 37 1 OR . 1 1 8 8 CYS HA H . . . 1 1 7 7 ASN HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 8 CYS HA . . A . 7 ASN HB2 . . . 8 . HA . . . . . 7 . HB# . . rr_1hp9 1 37 2 OR . 1 1 8 8 CYS HA H . . . 1 1 7 7 ASN HB3 H . . . . . 5.0 1.8 6.0 . . . . . A . 8 CYS HA . . A . 7 ASN HB3 . . . 8 . HA . . . . . 7 . HB# . . rr_1hp9 1 38 1 . . 1 1 7 7 ASN HA H . . . 1 1 8 8 CYS H H . . . . . 4.5 1.8 5.0 . . . . . A . 7 ASN HA . . A . 8 CYS H . . . 7 . HA . . . . . 8 . HN . . rr_1hp9 1 39 1 OR . 1 1 7 7 ASN HA H . . . 1 1 10 10 ARG HB2 H . . . . . 4.5 1.8 5.5 . . . . . A . 7 ASN HA . . A . 10 ARG HB2 . . . 7 . HA . . . . . 10 . HB# . . rr_1hp9 1 39 2 OR . 1 1 7 7 ASN HA H . . . 1 1 10 10 ARG HB3 H . . . . . 4.5 1.8 5.5 . . . . . A . 7 ASN HA . . A . 10 ARG HB3 . . . 7 . HA . . . . . 10 . HB# . . rr_1hp9 1 40 1 . . 1 1 7 7 ASN H H . . . 1 1 7 7 ASN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 7 ASN H . . A . 7 ASN HA . . . 7 . HN . . . . . 7 . HA . . rr_1hp9 1 41 1 . . 1 1 7 7 ASN H H . . . 1 1 8 8 CYS H H . . . . . 2.5 1.8 3.0 . . . . . A . 7 ASN H . . A . 8 CYS H . . . 7 . HN . . . . . 8 . HN . . rr_1hp9 1 42 1 OR . 1 1 7 7 ASN HB2 H . . . 1 1 7 7 ASN HD22 H . . . . . 3.5 1.8 4.5 . . . . . A . 7 ASN HB2 . . A . 7 ASN HD22 . . . 7 . HB# . . . . . 7 . HD# . . rr_1hp9 1 42 2 OR . 1 1 7 7 ASN HB3 H . . . 1 1 7 7 ASN HD22 H . . . . . 3.5 1.8 4.5 . . . . . A . 7 ASN HB3 . . A . 7 ASN HD22 . . . 7 . HB# . . . . . 7 . HD# . . rr_1hp9 1 42 3 OR . 1 1 7 7 ASN HD21 H . . . 1 1 7 7 ASN HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 7 ASN HD21 . . A . 7 ASN HB2 . . . 7 . HD# . . . . . 7 . HB# . . rr_1hp9 1 42 4 OR . 1 1 7 7 ASN HD21 H . . . 1 1 7 7 ASN HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 7 ASN HD21 . . A . 7 ASN HB3 . . . 7 . HD# . . . . . 7 . HB# . . rr_1hp9 1 43 1 OR . 1 1 7 7 ASN H H . . . 1 1 6 6 ARG HB2 H . . . . . 3.0 1.8 4.0 . . . . . A . 7 ASN H . . A . 6 ARG HB2 . . . 7 . HN . . . . . 6 . HB# . . rr_1hp9 1 43 2 OR . 1 1 6 6 ARG HB3 H . . . 1 1 7 7 ASN H H . . . . . 3.0 1.8 4.0 . . . . . A . 6 ARG HB3 . . A . 7 ASN H . . . 6 . HB# . . . . . 7 . HN . . rr_1hp9 1 44 1 OR . 1 1 9 9 TRP H H . . . 1 1 8 8 CYS HB2 H . . . . . 3.0 1.8 4.0 . . . . . A . 9 TRP H . . A . 8 CYS HB2 . . . 9 . HN . . . . . 8 . HB# . . rr_1hp9 1 44 2 OR . 1 1 8 8 CYS HB3 H . . . 1 1 9 9 TRP H H . . . . . 3.0 1.8 4.0 . . . . . A . 8 CYS HB3 . . A . 9 TRP H . . . 8 . HB# . . . . . 9 . HN . . rr_1hp9 1 45 1 OR . 1 1 8 8 CYS H H . . . 1 1 8 8 CYS HB2 H . . . . . 2.3 1.8 3.3 . . . . . A . 8 CYS H . . A . 8 CYS HB2 . . . 8 . HN . . . . . 8 . HB# . . rr_1hp9 1 45 2 OR . 1 1 8 8 CYS HB3 H . . . 1 1 8 8 CYS H H . . . . . 2.3 1.8 3.3 . . . . . A . 8 CYS HB3 . . A . 8 CYS H . . . 8 . HB# . . . . . 8 . HN . . rr_1hp9 1 46 1 . . 1 1 8 8 CYS HA H . . . 1 1 8 8 CYS H H . . . . . 3.5 1.8 4.0 . . . . . A . 8 CYS HA . . A . 8 CYS H . . . 8 . HA . . . . . 8 . HN . . rr_1hp9 1 47 1 . . 1 1 9 9 TRP H H . . . 1 1 8 8 CYS HA H . . . . . 5.0 1.8 5.5 . . . . . A . 9 TRP H . . A . 8 CYS HA . . . 9 . HN . . . . . 8 . HA . . rr_1hp9 1 48 1 . . 1 1 9 9 TRP H H . . . 1 1 8 8 CYS H H . . . . . 2.5 1.8 3.0 . . . . . A . 9 TRP H . . A . 8 CYS H . . . 9 . HN . . . . . 8 . HN . . rr_1hp9 1 49 1 OR . 1 1 7 7 ASN HA H . . . 1 1 8 8 CYS HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 7 ASN HA . . A . 8 CYS HB2 . . . 7 . HA . . . . . 8 . HB# . . rr_1hp9 1 49 2 OR . 1 1 8 8 CYS HB3 H . . . 1 1 7 7 ASN HA H . . . . . 5.0 1.8 6.0 . . . . . A . 8 CYS HB3 . . A . 7 ASN HA . . . 8 . HB# . . . . . 7 . HA . . rr_1hp9 1 50 1 OR . 1 1 8 8 CYS HB3 H . . . 1 1 18 18 CYS HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 8 CYS HB3 . . A . 18 CYS HB2 . . . 8 . HB# . . . . . 18 . HB# . . rr_1hp9 1 50 2 OR . 1 1 8 8 CYS HB2 H . . . 1 1 18 18 CYS HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 8 CYS HB2 . . A . 18 CYS HB2 . . . 8 . HB# . . . . . 18 . HB# . . rr_1hp9 1 50 3 OR . 1 1 18 18 CYS HB3 H . . . 1 1 8 8 CYS HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 18 CYS HB3 . . A . 8 CYS HB2 . . . 18 . HB# . . . . . 8 . HB# . . rr_1hp9 1 50 4 OR . 1 1 18 18 CYS HB3 H . . . 1 1 8 8 CYS HB3 H . . . . . 5.0 1.8 6.0 . . . . . A . 18 CYS HB3 . . A . 8 CYS HB3 . . . 18 . HB# . . . . . 8 . HB# . . rr_1hp9 1 51 1 OR . 1 1 7 7 ASN H H . . . 1 1 8 8 CYS HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 7 ASN H . . A . 8 CYS HB2 . . . 7 . HN . . . . . 8 . HB# . . rr_1hp9 1 51 2 OR . 1 1 7 7 ASN H H . . . 1 1 8 8 CYS HB3 H . . . . . 5.0 1.8 6.0 . . . . . A . 7 ASN H . . A . 8 CYS HB3 . . . 7 . HN . . . . . 8 . HB# . . rr_1hp9 1 52 1 . . 1 1 9 9 TRP H H . . . 1 1 10 10 ARG H H . . . . . 3.5 1.8 4.0 . . . . . A . 9 TRP H . . A . 10 ARG H . . . 9 . HN . . . . . 10 . HN . . rr_1hp9 1 53 1 . . 1 1 9 9 TRP HE1 H . . . 1 1 9 9 TRP HZ2 H . . . . . 3.5 1.8 4.5 . . . . . A . 9 TRP HE1 . . A . 9 TRP HZ2 . . . 9 . HE1 . . . . . 9 . HZ2 . . rr_1hp9 1 54 1 . . 1 1 10 10 ARG H H . . . 1 1 9 9 TRP HE3 H . . . . . 5.5 1.8 7.0 . . . . . A . 10 ARG H . . A . 9 TRP HE3 . . . 10 . HN . . . . . 9 . HE3 . . rr_1hp9 1 55 1 . . 1 1 9 9 TRP H H . . . 1 1 9 9 TRP HE3 H . . . . . 5.5 1.8 7.0 . . . . . A . 9 TRP H . . A . 9 TRP HE3 . . . 9 . HN . . . . . 9 . HE3 . . rr_1hp9 1 56 1 . . 1 1 9 9 TRP HE1 H . . . 1 1 9 9 TRP HD1 H . . . . . 2.5 1.8 3.0 . . . . . A . 9 TRP HE1 . . A . 9 TRP HD1 . . . 9 . HE1 . . . . . 9 . HD1 . . rr_1hp9 1 57 1 . . 1 1 9 9 TRP HA H . . . 1 1 12 12 GLY H H . . . . . 6.0 1.8 6.5 . . . . . A . 9 TRP HA . . A . 12 GLY H . . . 9 . HA . . . . . 12 . HN . . rr_1hp9 1 58 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 9 9 TRP HA H . . . . . 3.5 1.8 5.0 . . . . . A . 9 TRP HE3 . . A . 9 TRP HA . . . 9 . HE3 . . . . . 9 . HA . . rr_1hp9 1 59 1 OR . 1 1 9 9 TRP HE3 H . . . 1 1 9 9 TRP HB2 H . . . . . 3.5 1.8 5.0 . . . . . A . 9 TRP HE3 . . A . 9 TRP HB2 . . . 9 . HE3 . . . . . 9 . HB# . . rr_1hp9 1 59 2 OR . 1 1 9 9 TRP HE3 H . . . 1 1 9 9 TRP HB3 H . . . . . 3.5 1.8 5.0 . . . . . A . 9 TRP HE3 . . A . 9 TRP HB3 . . . 9 . HE3 . . . . . 9 . HB# . . rr_1hp9 1 60 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 10 10 ARG HA H . . . . . 5.5 1.8 7.0 . . . . . A . 9 TRP HE3 . . A . 10 ARG HA . . . 9 . HE3 . . . . . 10 . HA . . rr_1hp9 1 61 1 . . 1 1 9 9 TRP H H . . . 1 1 9 9 TRP HA H . . . . . 3.5 1.8 4.0 . . . . . A . 9 TRP H . . A . 9 TRP HA . . . 9 . HN . . . . . 9 . HA . . rr_1hp9 1 62 1 . . 1 1 9 9 TRP HZ3 H . . . 1 1 15 15 GLU HA H . . . . . 5.0 1.8 6.5 . . . . . A . 9 TRP HZ3 . . A . 15 GLU HA . . . 9 . HZ3 . . . . . 15 . HA . . rr_1hp9 1 63 1 . . 1 1 15 15 GLU HA H . . . 1 1 9 9 TRP HH2 H . . . . . 5.5 1.8 7.0 . . . . . A . 15 GLU HA . . A . 9 TRP HH2 . . . 15 . HA . . . . . 9 . HH2 . . rr_1hp9 1 64 1 . . 1 1 15 15 GLU HA H . . . 1 1 9 9 TRP HD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 15 GLU HA . . A . 9 TRP HD1 . . . 15 . HA . . . . . 9 . HD1 . . rr_1hp9 1 65 1 . . 1 1 6 6 ARG HA H . . . 1 1 9 9 TRP HE3 H . . . . . 3.0 1.8 4.5 . . . . . A . 6 ARG HA . . A . 9 TRP HE3 . . . 6 . HA . . . . . 9 . HE3 . . rr_1hp9 1 66 1 OR . 1 1 9 9 TRP HD1 H . . . 1 1 9 9 TRP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 9 TRP HD1 . . A . 9 TRP HB2 . . . 9 . HD# . . . . . 9 . HB# . . rr_1hp9 1 66 2 OR . 1 1 9 9 TRP HB3 H . . . 1 1 9 9 TRP HD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 9 TRP HB3 . . A . 9 TRP HD1 . . . 9 . HB# . . . . . 9 . HD# . . rr_1hp9 1 67 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 9 9 TRP HD1 H . . . . . 5.0 1.8 6.0 . . . . . A . 9 TRP HE3 . . A . 9 TRP HD1 . . . 9 . HE3 . . . . . 9 . HD1 . . rr_1hp9 1 68 1 . . 1 1 9 9 TRP HA H . . . 1 1 9 9 TRP HZ3 H . . . . . 5.5 1.8 7.0 . . . . . A . 9 TRP HA . . A . 9 TRP HZ3 . . . 9 . HA . . . . . 9 . HZ3 . . rr_1hp9 1 69 1 OR . 1 1 9 9 TRP HE3 H . . . 1 1 10 10 ARG HB2 H . . . . . 6.0 1.8 7.5 . . . . . A . 9 TRP HE3 . . A . 10 ARG HB2 . . . 9 . HE3 . . . . . 10 . HB# . . rr_1hp9 1 69 2 OR . 1 1 10 10 ARG HB3 H . . . 1 1 9 9 TRP HE3 H . . . . . 6.0 1.8 7.5 . . . . . A . 10 ARG HB3 . . A . 9 TRP HE3 . . . 10 . HB# . . . . . 9 . HE3 . . rr_1hp9 1 70 1 OR . 1 1 9 9 TRP HE3 H . . . 1 1 10 10 ARG HG2 H . . . . . 5.5 1.8 7.0 . . . . . A . 9 TRP HE3 . . A . 10 ARG HG2 . . . 9 . HE3 . . . . . 10 . HG# . . rr_1hp9 1 70 2 OR . 1 1 9 9 TRP HE3 H . . . 1 1 10 10 ARG HG3 H . . . . . 5.5 1.8 7.0 . . . . . A . 9 TRP HE3 . . A . 10 ARG HG3 . . . 9 . HE3 . . . . . 10 . HG# . . rr_1hp9 1 71 1 . . 1 1 9 9 TRP HE3 H . . . 1 1 9 9 TRP HA H . . . . . 3.5 1.8 5.0 . . . . . A . 9 TRP HE3 . . A . 9 TRP HA . . . 9 . HE3 . . . . . 9 . HA . . rr_1hp9 1 72 1 OR . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 10 ARG H . . A . 10 ARG HG2 . . . 10 . HN . . . . . 10 . HG# . . rr_1hp9 1 72 2 OR . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 10 ARG H . . A . 10 ARG HG3 . . . 10 . HN . . . . . 10 . HG# . . rr_1hp9 1 73 1 OR . 1 1 11 11 GLU H H . . . 1 1 10 10 ARG HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 11 GLU H . . A . 10 ARG HB2 . . . 11 . HN . . . . . 10 . HB# . . rr_1hp9 1 73 2 OR . 1 1 10 10 ARG HB3 H . . . 1 1 11 11 GLU H H . . . . . 5.0 1.8 6.0 . . . . . A . 10 ARG HB3 . . A . 11 GLU H . . . 10 . HB# . . . . . 11 . HN . . rr_1hp9 1 74 1 OR . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HB2 H . . . . . 2.5 1.8 3.5 . . . . . A . 10 ARG H . . A . 10 ARG HB2 . . . 10 . HN . . . . . 10 . HB# . . rr_1hp9 1 74 2 OR . 1 1 10 10 ARG HB3 H . . . 1 1 10 10 ARG H H . . . . . 2.5 1.8 3.5 . . . . . A . 10 ARG HB3 . . A . 10 ARG H . . . 10 . HB# . . . . . 10 . HN . . rr_1hp9 1 75 1 OR . 1 1 10 10 ARG H H . . . 1 1 9 9 TRP HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 10 ARG H . . A . 9 TRP HB2 . . . 10 . HN . . . . . 9 . HB# . . rr_1hp9 1 75 2 OR . 1 1 10 10 ARG H H . . . 1 1 9 9 TRP HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 10 ARG H . . A . 9 TRP HB3 . . . 10 . HN . . . . . 9 . HB# . . rr_1hp9 1 76 1 . . 1 1 12 12 GLY H H . . . 1 1 10 10 ARG HA H . . . . . 5.5 1.8 6.0 . . . . . A . 12 GLY H . . A . 10 ARG HA . . . 12 . HN . . . . . 10 . HA . . rr_1hp9 1 77 1 . . 1 1 10 10 ARG H H . . . 1 1 10 10 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . A . 10 ARG H . . A . 10 ARG HA . . . 10 . HN . . . . . 10 . HA . . rr_1hp9 1 78 1 . . 1 1 10 10 ARG HA H . . . 1 1 11 11 GLU H H . . . . . 5.0 1.8 5.5 . . . . . A . 10 ARG HA . . A . 11 GLU H . . . 10 . HA . . . . . 11 . HN . . rr_1hp9 1 79 1 . . 1 1 7 7 ASN HA H . . . 1 1 10 10 ARG H H . . . . . 4.0 1.8 4.5 . . . . . A . 7 ASN HA . . A . 10 ARG H . . . 7 . HA . . . . . 10 . HN . . rr_1hp9 1 80 1 . . 1 1 10 10 ARG H H . . . 1 1 11 11 GLU H H . . . . . 3.5 1.8 4.0 . . . . . A . 10 ARG H . . A . 11 GLU H . . . 10 . HN . . . . . 11 . HN . . rr_1hp9 1 81 1 OR . 1 1 10 10 ARG HE H . . . 1 1 10 10 ARG HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 10 ARG HE . . A . 10 ARG HB2 . . . 10 . HE# . . . . . 10 . HB# . . rr_1hp9 1 81 2 OR . 1 1 10 10 ARG HB3 H . . . 1 1 10 10 ARG HE H . . . . . 5.0 1.8 6.0 . . . . . A . 10 ARG HB3 . . A . 10 ARG HE . . . 10 . HB# . . . . . 10 . HE# . . rr_1hp9 1 82 1 OR . 1 1 10 10 ARG HE H . . . 1 1 10 10 ARG HG2 H . . . . . 5.5 1.8 6.5 . . . . . A . 10 ARG HE . . A . 10 ARG HG2 . . . 10 . HE# . . . . . 10 . HG# . . rr_1hp9 1 82 2 OR . 1 1 10 10 ARG HG3 H . . . 1 1 10 10 ARG HE H . . . . . 5.5 1.8 6.5 . . . . . A . 10 ARG HG3 . . A . 10 ARG HE . . . 10 . HG# . . . . . 10 . HE# . . rr_1hp9 1 83 1 OR . 1 1 9 9 TRP HE3 H . . . 1 1 10 10 ARG HG2 H . . . . . 5.5 1.8 7.0 . . . . . A . 9 TRP HE3 . . A . 10 ARG HG2 . . . 9 . HE3 . . . . . 10 . HG# . . rr_1hp9 1 83 2 OR . 1 1 9 9 TRP HE3 H . . . 1 1 10 10 ARG HG3 H . . . . . 5.5 1.8 7.0 . . . . . A . 9 TRP HE3 . . A . 10 ARG HG3 . . . 9 . HE3 . . . . . 10 . HG# . . rr_1hp9 1 84 1 . . 1 1 12 12 GLY H H . . . 1 1 11 11 GLU H H . . . . . 3.5 1.8 4.0 . . . . . A . 12 GLY H . . A . 11 GLU H . . . 12 . HN . . . . . 11 . HN . . rr_1hp9 1 85 1 . . 1 1 12 12 GLY H H . . . 1 1 11 11 GLU HA H . . . . . 5.0 1.8 5.5 . . . . . A . 12 GLY H . . A . 11 GLU HA . . . 12 . HN . . . . . 11 . HA . . rr_1hp9 1 86 1 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HB2 H . . . . . 3.0 1.8 4.0 . . . . . A . 11 GLU H . . A . 11 GLU HB2 . . . 11 . HN . . . . . 11 . HB# . . rr_1hp9 1 86 2 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HB3 H . . . . . 3.0 1.8 4.0 . . . . . A . 11 GLU H . . A . 11 GLU HB3 . . . 11 . HN . . . . . 11 . HB# . . rr_1hp9 1 87 1 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 11 GLU H . . A . 11 GLU HG2 . . . 11 . HN . . . . . 11 . HG# . . rr_1hp9 1 87 2 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 11 GLU H . . A . 11 GLU HG3 . . . 11 . HN . . . . . 11 . HG# . . rr_1hp9 1 88 1 OR . 1 1 11 11 GLU HB3 H . . . 1 1 13 13 ASN HD22 H . . . . . 4.0 1.8 5.0 . . . . . A . 11 GLU HB3 . . A . 13 ASN HD22 . . . 11 . HB# . . . . . 13 . HD# . . rr_1hp9 1 88 2 OR . 1 1 11 11 GLU HB2 H . . . 1 1 13 13 ASN HD22 H . . . . . 4.0 1.8 5.0 . . . . . A . 11 GLU HB2 . . A . 13 ASN HD22 . . . 11 . HB# . . . . . 13 . HD# . . rr_1hp9 1 88 3 OR . 1 1 13 13 ASN HD21 H . . . 1 1 11 11 GLU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 13 ASN HD21 . . A . 11 GLU HB2 . . . 13 . HD# . . . . . 11 . HB# . . rr_1hp9 1 88 4 OR . 1 1 11 11 GLU HB3 H . . . 1 1 13 13 ASN HD21 H . . . . . 4.0 1.8 5.0 . . . . . A . 11 GLU HB3 . . A . 13 ASN HD21 . . . 11 . HB# . . . . . 13 . HD# . . rr_1hp9 1 89 1 . . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 11 GLU H . . A . 11 GLU HA . . . 11 . HN . . . . . 11 . HA . . rr_1hp9 1 90 1 OR . 1 1 13 13 ASN H H . . . 1 1 12 12 GLY HA2 H . . . . . 5.0 1.8 6.0 . . . . . A . 13 ASN H . . A . 12 GLY HA2 . . . 13 . HN . . . . . 12 . HA# . . rr_1hp9 1 90 2 OR . 1 1 12 12 GLY HA3 H . . . 1 1 13 13 ASN H H . . . . . 5.0 1.8 6.0 . . . . . A . 12 GLY HA3 . . A . 13 ASN H . . . 12 . HA# . . . . . 13 . HN . . rr_1hp9 1 91 1 OR . 1 1 12 12 GLY H H . . . 1 1 12 12 GLY HA2 H . . . . . 2.5 1.8 3.5 . . . . . A . 12 GLY H . . A . 12 GLY HA2 . . . 12 . HN . . . . . 12 . HA# . . rr_1hp9 1 91 2 OR . 1 1 12 12 GLY H H . . . 1 1 12 12 GLY HA3 H . . . . . 2.5 1.8 3.5 . . . . . A . 12 GLY H . . A . 12 GLY HA3 . . . 12 . HN . . . . . 12 . HA# . . rr_1hp9 1 92 1 . . 1 1 12 12 GLY H H . . . 1 1 13 13 ASN H H . . . . . 2.5 1.8 3.0 . . . . . A . 12 GLY H . . A . 13 ASN H . . . 12 . HN . . . . . 13 . HN . . rr_1hp9 1 93 1 OR . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 13 ASN H . . A . 13 ASN HB2 . . . 13 . HN . . . . . 13 . HB# . . rr_1hp9 1 93 2 OR . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 13 ASN H . . A . 13 ASN HB3 . . . 13 . HN . . . . . 13 . HB# . . rr_1hp9 1 94 1 . . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HA H . . . . . 5.0 1.8 5.5 . . . . . A . 13 ASN H . . A . 13 ASN HA . . . 13 . HN . . . . . 13 . HA . . rr_1hp9 1 95 1 . . 1 1 13 13 ASN HA H . . . 1 1 14 14 ASP H H . . . . . 3.5 1.8 4.0 . . . . . A . 13 ASN HA . . A . 14 ASP H . . . 13 . HA . . . . . 14 . HN . . rr_1hp9 1 96 1 OR . 1 1 13 13 ASN HB3 H . . . 1 1 13 13 ASN HD22 H . . . . . 2.3 1.8 3.3 . . . . . A . 13 ASN HB3 . . A . 13 ASN HD22 . . . 13 . HB# . . . . . 13 . HD# . . rr_1hp9 1 96 2 OR . 1 1 13 13 ASN HB2 H . . . 1 1 13 13 ASN HD22 H . . . . . 2.3 1.8 3.3 . . . . . A . 13 ASN HB2 . . A . 13 ASN HD22 . . . 13 . HB# . . . . . 13 . HD# . . rr_1hp9 1 96 3 OR . 1 1 13 13 ASN HD21 H . . . 1 1 13 13 ASN HB2 H . . . . . 2.3 1.8 3.3 . . . . . A . 13 ASN HD21 . . A . 13 ASN HB2 . . . 13 . HD# . . . . . 13 . HB# . . rr_1hp9 1 96 4 OR . 1 1 13 13 ASN HD21 H . . . 1 1 13 13 ASN HB3 H . . . . . 2.3 1.8 3.3 . . . . . A . 13 ASN HD21 . . A . 13 ASN HB3 . . . 13 . HD# . . . . . 13 . HB# . . rr_1hp9 1 97 1 OR . 1 1 13 13 ASN H H . . . 1 1 13 13 ASN HD22 H . . . . . 5.5 1.8 6.5 . . . . . A . 13 ASN H . . A . 13 ASN HD22 . . . 13 . HN . . . . . 13 . HD# . . rr_1hp9 1 97 2 OR . 1 1 13 13 ASN HD21 H . . . 1 1 13 13 ASN H H . . . . . 5.5 1.8 6.5 . . . . . A . 13 ASN HD21 . . A . 13 ASN H . . . 13 . HD# . . . . . 13 . HN . . rr_1hp9 1 98 1 . . 1 1 14 14 ASP HA H . . . 1 1 15 15 GLU H H . . . . . 3.0 1.8 3.5 . . . . . A . 14 ASP HA . . A . 15 GLU H . . . 14 . HA . . . . . 15 . HN . . rr_1hp9 1 99 1 . . 1 1 14 14 ASP H H . . . 1 1 14 14 ASP HA H . . . . . 3.0 1.8 3.5 . . . . . A . 14 ASP H . . A . 14 ASP HA . . . 14 . HN . . . . . 14 . HA . . rr_1hp9 1 100 1 OR . 1 1 14 14 ASP H H . . . 1 1 14 14 ASP HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 14 ASP H . . A . 14 ASP HB2 . . . 14 . HN . . . . . 14 . HB# . . rr_1hp9 1 100 2 OR . 1 1 14 14 ASP H H . . . 1 1 14 14 ASP HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 14 ASP H . . A . 14 ASP HB3 . . . 14 . HN . . . . . 14 . HB# . . rr_1hp9 1 101 1 OR . 1 1 15 15 GLU H H . . . 1 1 14 14 ASP HB2 H . . . . . 2.5 1.8 3.5 . . . . . A . 15 GLU H . . A . 14 ASP HB2 . . . 15 . HN . . . . . 14 . HB# . . rr_1hp9 1 101 2 OR . 1 1 15 15 GLU H H . . . 1 1 14 14 ASP HB3 H . . . . . 2.5 1.8 3.5 . . . . . A . 15 GLU H . . A . 14 ASP HB3 . . . 15 . HN . . . . . 14 . HB# . . rr_1hp9 1 102 1 OR . 1 1 14 14 ASP H H . . . 1 1 17 17 THR MG H . . . . . 5.0 1.8 7.0 . . . . . A . 14 ASP H . . A . 17 THR MG . . . 14 . HN . . . . . 17 . HG# . . rr_1hp9 1 102 2 OR . 1 1 14 14 ASP H H . . . 1 1 17 17 THR HG1 H . . . . . 5.0 1.8 7.0 . . . . . A . 14 ASP H . . A . 17 THR HG1 . . . 14 . HN . . . . . 17 . HG# . . rr_1hp9 1 103 1 OR . 1 1 16 16 GLU H H . . . 1 1 14 14 ASP HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 16 GLU H . . A . 14 ASP HB2 . . . 16 . HN . . . . . 14 . HB# . . rr_1hp9 1 103 2 OR . 1 1 14 14 ASP HB3 H . . . 1 1 16 16 GLU H H . . . . . 5.0 1.8 6.0 . . . . . A . 14 ASP HB3 . . A . 16 GLU H . . . 14 . HB# . . . . . 16 . HN . . rr_1hp9 1 104 1 OR . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 15 GLU H . . A . 15 GLU HB2 . . . 15 . HN . . . . . 15 . HB# . . rr_1hp9 1 104 2 OR . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 15 GLU H . . A . 15 GLU HB3 . . . 15 . HN . . . . . 15 . HB# . . rr_1hp9 1 105 1 OR . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HG2 H . . . . . 5.0 1.8 6.0 . . . . . A . 15 GLU H . . A . 15 GLU HG2 . . . 15 . HN . . . . . 15 . HG# . . rr_1hp9 1 105 2 OR . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HG3 H . . . . . 5.0 1.8 6.0 . . . . . A . 15 GLU H . . A . 15 GLU HG3 . . . 15 . HN . . . . . 15 . HG# . . rr_1hp9 1 106 1 . . 1 1 15 15 GLU HA H . . . 1 1 15 15 GLU H H . . . . . 3.5 1.8 4.0 . . . . . A . 15 GLU HA . . A . 15 GLU H . . . 15 . HA . . . . . 15 . HN . . rr_1hp9 1 107 1 . . 1 1 15 15 GLU HA H . . . 1 1 16 16 GLU H H . . . . . 4.0 1.8 4.5 . . . . . A . 15 GLU HA . . A . 16 GLU H . . . 15 . HA . . . . . 16 . HN . . rr_1hp9 1 108 1 . . 1 1 16 16 GLU H H . . . 1 1 17 17 THR H H . . . . . 2.5 1.8 3.0 . . . . . A . 16 GLU H . . A . 17 THR H . . . 16 . HN . . . . . 17 . HN . . rr_1hp9 1 109 1 . . 1 1 16 16 GLU HA H . . . 1 1 17 17 THR H H . . . . . 4.0 1.8 4.5 . . . . . A . 16 GLU HA . . A . 17 THR H . . . 16 . HA . . . . . 17 . HN . . rr_1hp9 1 110 1 . . 1 1 16 16 GLU HA H . . . 1 1 16 16 GLU H H . . . . . 2.5 1.8 3.0 . . . . . A . 16 GLU HA . . A . 16 GLU H . . . 16 . HA . . . . . 16 . HN . . rr_1hp9 1 111 1 OR . 1 1 16 16 GLU H H . . . 1 1 16 16 GLU HG2 H . . . . . 5.0 1.8 6.0 . . . . . A . 16 GLU H . . A . 16 GLU HG2 . . . 16 . HN . . . . . 16 . HG# . . rr_1hp9 1 111 2 OR . 1 1 16 16 GLU H H . . . 1 1 16 16 GLU HG3 H . . . . . 5.0 1.8 6.0 . . . . . A . 16 GLU H . . A . 16 GLU HG3 . . . 16 . HN . . . . . 16 . HG# . . rr_1hp9 1 112 1 OR . 1 1 17 17 THR H H . . . 1 1 16 16 GLU HG2 H . . . . . 3.5 1.8 4.5 . . . . . A . 17 THR H . . A . 16 GLU HG2 . . . 17 . HN . . . . . 16 . HG# . . rr_1hp9 1 112 2 OR . 1 1 17 17 THR H H . . . 1 1 16 16 GLU HG3 H . . . . . 3.5 1.8 4.5 . . . . . A . 17 THR H . . A . 16 GLU HG3 . . . 17 . HN . . . . . 16 . HG# . . rr_1hp9 1 113 1 OR . 1 1 16 16 GLU H H . . . 1 1 16 16 GLU HB2 H . . . . . 2.5 1.8 3.5 . . . . . A . 16 GLU H . . A . 16 GLU HB2 . . . 16 . HN . . . . . 16 . HB# . . rr_1hp9 1 113 2 OR . 1 1 16 16 GLU H H . . . 1 1 16 16 GLU HB3 H . . . . . 2.5 1.8 3.5 . . . . . A . 16 GLU H . . A . 16 GLU HB3 . . . 16 . HN . . . . . 16 . HB# . . rr_1hp9 1 114 1 OR . 1 1 17 17 THR H H . . . 1 1 16 16 GLU HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 17 THR H . . A . 16 GLU HB2 . . . 17 . HN . . . . . 16 . HB# . . rr_1hp9 1 114 2 OR . 1 1 17 17 THR H H . . . 1 1 16 16 GLU HB3 H . . . . . 5.0 1.8 6.0 . . . . . A . 17 THR H . . A . 16 GLU HB3 . . . 17 . HN . . . . . 16 . HB# . . rr_1hp9 1 115 1 . . 1 1 19 19 LYS H H . . . 1 1 16 16 GLU HA H . . . . . 3.7 1.8 4.2 . . . . . A . 19 LYS H . . A . 16 GLU HA . . . 19 . HN . . . . . 16 . HA . . rr_1hp9 1 116 1 . . 1 1 14 14 ASP HA H . . . 1 1 16 16 GLU H H . . . . . 6.0 1.8 6.5 . . . . . A . 14 ASP HA . . A . 16 GLU H . . . 14 . HA . . . . . 16 . HN . . rr_1hp9 1 117 1 OR . 1 1 18 18 CYS H H . . . 1 1 17 17 THR MG H . . . . . 4.0 1.8 5.0 . . . . . A . 18 CYS H . . A . 17 THR MG . . . 18 . HN . . . . . 17 . HG# . . rr_1hp9 1 117 2 OR . 1 1 17 17 THR HG1 H . . . 1 1 18 18 CYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 17 THR HG1 . . A . 18 CYS H . . . 17 . HG# . . . . . 18 . HN . . rr_1hp9 1 118 1 OR . 1 1 17 17 THR H H . . . 1 1 17 17 THR MG H . . . . . 5.0 1.8 6.0 . . . . . A . 17 THR H . . A . 17 THR MG . . . 17 . HN . . . . . 17 . HG# . . rr_1hp9 1 118 2 OR . 1 1 17 17 THR HG1 H . . . 1 1 17 17 THR H H . . . . . 5.0 1.8 6.0 . . . . . A . 17 THR HG1 . . A . 17 THR H . . . 17 . HG# . . . . . 17 . HN . . rr_1hp9 1 119 1 OR . 1 1 17 17 THR HG1 H . . . 1 1 13 13 ASN HB2 H . . . . . 3.5 1.8 5.5 . . . . . A . 17 THR HG1 . . A . 13 ASN HB2 . . . 17 . HG# . . . . . 13 . HB# . . rr_1hp9 1 119 2 OR . 1 1 17 17 THR MG H . . . 1 1 13 13 ASN HB2 H . . . . . 3.5 1.8 5.5 . . . . . A . 17 THR MG . . A . 13 ASN HB2 . . . 17 . HG# . . . . . 13 . HB# . . rr_1hp9 1 119 3 OR . 1 1 13 13 ASN HB3 H . . . 1 1 17 17 THR MG H . . . . . 3.5 1.8 5.5 . . . . . A . 13 ASN HB3 . . A . 17 THR MG . . . 13 . HB# . . . . . 17 . HG# . . rr_1hp9 1 119 4 OR . 1 1 13 13 ASN HB3 H . . . 1 1 17 17 THR HG1 H . . . . . 3.5 1.8 5.5 . . . . . A . 13 ASN HB3 . . A . 17 THR HG1 . . . 13 . HB# . . . . . 17 . HG# . . rr_1hp9 1 120 1 . . 1 1 17 17 THR H H . . . 1 1 17 17 THR HB H . . . . . 3.0 1.8 4.0 . . . . . A . 17 THR H . . A . 17 THR HB . . . 17 . HN . . . . . 17 . HB# . . rr_1hp9 1 121 1 . . 1 1 18 18 CYS H H . . . 1 1 17 17 THR HB H . . . . . 5.0 1.8 6.0 . . . . . A . 18 CYS H . . A . 17 THR HB . . . 18 . HN . . . . . 17 . HB# . . rr_1hp9 1 122 1 . . 1 1 17 17 THR HB H . . . 1 1 20 20 GLU H H . . . . . 5.5 1.8 6.5 . . . . . A . 17 THR HB . . A . 20 GLU H . . . 17 . HB# . . . . . 20 . HN . . rr_1hp9 1 123 1 OR . 1 1 21 21 ARG HE H . . . 1 1 17 17 THR MG H . . . . . 4.0 1.8 6.0 . . . . . A . 21 ARG HE . . A . 17 THR MG . . . 21 . HE# . . . . . 17 . HG# . . rr_1hp9 1 123 2 OR . 1 1 17 17 THR HG1 H . . . 1 1 21 21 ARG HE H . . . . . 4.0 1.8 6.0 . . . . . A . 17 THR HG1 . . A . 21 ARG HE . . . 17 . HG# . . . . . 21 . HE# . . rr_1hp9 1 124 1 OR . 1 1 17 17 THR HB H . . . 1 1 20 20 GLU HG2 H . . . . . 6.0 1.8 7.0 . . . . . A . 17 THR HB . . A . 20 GLU HG2 . . . 17 . HB# . . . . . 20 . HG# . . rr_1hp9 1 124 2 OR . 1 1 17 17 THR HB H . . . 1 1 20 20 GLU HG3 H . . . . . 6.0 1.8 7.0 . . . . . A . 17 THR HB . . A . 20 GLU HG3 . . . 17 . HB# . . . . . 20 . HG# . . rr_1hp9 1 125 1 OR . 1 1 18 18 CYS HA H . . . 1 1 17 17 THR MG H . . . . . 5.5 1.8 6.5 . . . . . A . 18 CYS HA . . A . 17 THR MG . . . 18 . HA . . . . . 17 . HG# . . rr_1hp9 1 125 2 OR . 1 1 17 17 THR HG1 H . . . 1 1 18 18 CYS HA H . . . . . 5.5 1.8 6.5 . . . . . A . 17 THR HG1 . . A . 18 CYS HA . . . 17 . HG# . . . . . 18 . HA . . rr_1hp9 1 126 1 . . 1 1 14 14 ASP H H . . . 1 1 17 17 THR HA H . . . . . 4.0 1.8 4.5 . . . . . A . 14 ASP H . . A . 17 THR HA . . . 14 . HN . . . . . 17 . HA . . rr_1hp9 1 127 1 . . 1 1 18 18 CYS H H . . . 1 1 17 17 THR HA H . . . . . 3.0 1.8 3.5 . . . . . A . 18 CYS H . . A . 17 THR HA . . . 18 . HN . . . . . 17 . HA . . rr_1hp9 1 128 1 . . 1 1 17 17 THR H H . . . 1 1 17 17 THR HA H . . . . . 2.5 1.8 3.0 . . . . . A . 17 THR H . . A . 17 THR HA . . . 17 . HN . . . . . 17 . HA . . rr_1hp9 1 129 1 OR . 1 1 17 17 THR HB H . . . 1 1 17 17 THR MG H . . . . . 3.0 1.8 5.0 . . . . . A . 17 THR HB . . A . 17 THR MG . . . 17 . HB# . . . . . 17 . HG# . . rr_1hp9 1 129 2 OR . 1 1 17 17 THR HG1 H . . . 1 1 17 17 THR HB H . . . . . 3.0 1.8 5.0 . . . . . A . 17 THR HG1 . . A . 17 THR HB . . . 17 . HG# . . . . . 17 . HB# . . rr_1hp9 1 130 1 . . 1 1 19 19 LYS H H . . . 1 1 18 18 CYS H H . . . . . 3.3 1.9 3.8 . . . . . A . 19 LYS H . . A . 18 CYS H . . . 19 . HN . . . . . 18 . HN . . rr_1hp9 1 131 1 OR . 1 1 18 18 CYS HA H . . . 1 1 21 21 ARG HB2 H . . . . . 5.5 1.8 6.5 . . . . . A . 18 CYS HA . . A . 21 ARG HB2 . . . 18 . HA . . . . . 21 . HB# . . rr_1hp9 1 131 2 OR . 1 1 18 18 CYS HA H . . . 1 1 21 21 ARG HB3 H . . . . . 5.5 1.8 6.5 . . . . . A . 18 CYS HA . . A . 21 ARG HB3 . . . 18 . HA . . . . . 21 . HB# . . rr_1hp9 1 132 1 . . 1 1 19 19 LYS H H . . . 1 1 18 18 CYS HA H . . . . . 5.0 1.8 5.5 . . . . . A . 19 LYS H . . A . 18 CYS HA . . . 19 . HN . . . . . 18 . HA . . rr_1hp9 1 133 1 . . 1 1 18 18 CYS H H . . . 1 1 18 18 CYS HA H . . . . . 3.5 1.8 4.0 . . . . . A . 18 CYS H . . A . 18 CYS HA . . . 18 . HN . . . . . 18 . HA . . rr_1hp9 1 134 1 . . 1 1 18 18 CYS HA H . . . 1 1 21 21 ARG H H . . . . . 5.0 1.8 5.5 . . . . . A . 18 CYS HA . . A . 21 ARG H . . . 18 . HA . . . . . 21 . HN . . rr_1hp9 1 135 1 OR . 1 1 19 19 LYS H H . . . 1 1 18 18 CYS HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 19 LYS H . . A . 18 CYS HB2 . . . 19 . HN . . . . . 18 . HB# . . rr_1hp9 1 135 2 OR . 1 1 18 18 CYS HB3 H . . . 1 1 19 19 LYS H H . . . . . 3.5 1.8 4.5 . . . . . A . 18 CYS HB3 . . A . 19 LYS H . . . 18 . HB# . . . . . 19 . HN . . rr_1hp9 1 136 1 OR . 1 1 18 18 CYS H H . . . 1 1 18 18 CYS HB2 H . . . . . 2.5 1.8 3.5 . . . . . A . 18 CYS H . . A . 18 CYS HB2 . . . 18 . HN . . . . . 18 . HB# . . rr_1hp9 1 136 2 OR . 1 1 18 18 CYS HB3 H . . . 1 1 18 18 CYS H H . . . . . 2.5 1.8 3.5 . . . . . A . 18 CYS HB3 . . A . 18 CYS H . . . 18 . HB# . . . . . 18 . HN . . rr_1hp9 1 137 1 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HB2 H . . . . . 3.0 1.8 4.0 . . . . . A . 19 LYS H . . A . 19 LYS HB2 . . . 19 . HN . . . . . 19 . HB# . . rr_1hp9 1 137 2 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HB3 H . . . . . 3.0 1.8 4.0 . . . . . A . 19 LYS H . . A . 19 LYS HB3 . . . 19 . HN . . . . . 19 . HB# . . rr_1hp9 1 138 1 OR . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HD2 H . . . . . 5.5 1.8 6.5 . . . . . A . 19 LYS H . . A . 19 LYS HD2 . . . 19 . HN . . . . . 19 . HD# . . rr_1hp9 1 138 2 OR . 1 1 19 19 LYS HD3 H . . . 1 1 19 19 LYS H H . . . . . 5.5 1.8 6.5 . . . . . A . 19 LYS HD3 . . A . 19 LYS H . . . 19 . HD# . . . . . 19 . HN . . rr_1hp9 1 139 1 OR . 1 1 20 20 GLU H H . . . 1 1 19 19 LYS HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 GLU H . . A . 19 LYS HB2 . . . 20 . HN . . . . . 19 . HB# . . rr_1hp9 1 139 2 OR . 1 1 20 20 GLU H H . . . 1 1 19 19 LYS HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 GLU H . . A . 19 LYS HB3 . . . 20 . HN . . . . . 19 . HB# . . rr_1hp9 1 140 1 . . 1 1 19 19 LYS HA H . . . 1 1 20 20 GLU H H . . . . . 5.0 1.8 5.5 . . . . . A . 19 LYS HA . . A . 20 GLU H . . . 19 . HA . . . . . 20 . HN . . rr_1hp9 1 141 1 . . 1 1 19 19 LYS H H . . . 1 1 19 19 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 19 LYS H . . A . 19 LYS HA . . . 19 . HN . . . . . 19 . HA . . rr_1hp9 1 142 1 . . 1 1 19 19 LYS H H . . . 1 1 20 20 GLU H H . . . . . 2.5 1.8 3.0 . . . . . A . 19 LYS H . . A . 20 GLU H . . . 19 . HN . . . . . 20 . HN . . rr_1hp9 1 143 1 . . 1 1 22 22 CYS H H . . . 1 1 19 19 LYS HA H . . . . . 6.5 1.8 7.0 . . . . . A . 22 CYS H . . A . 19 LYS HA . . . 22 . HN . . . . . 19 . HA . . rr_1hp9 1 144 1 OR . 1 1 19 19 LYS H H . . . 1 1 17 17 THR MG H . . . . . 5.5 1.8 7.5 . . . . . A . 19 LYS H . . A . 17 THR MG . . . 19 . HN . . . . . 17 . HG# . . rr_1hp9 1 144 2 OR . 1 1 19 19 LYS H H . . . 1 1 17 17 THR HG1 H . . . . . 5.5 1.8 7.5 . . . . . A . 19 LYS H . . A . 17 THR HG1 . . . 19 . HN . . . . . 17 . HG# . . rr_1hp9 1 145 1 . . 1 1 20 20 GLU H H . . . 1 1 20 20 GLU HA H . . . . . 4.0 1.8 4.5 . . . . . A . 20 GLU H . . A . 20 GLU HA . . . 20 . HN . . . . . 20 . HA . . rr_1hp9 1 146 1 . . 1 1 21 21 ARG H H . . . 1 1 20 20 GLU HA H . . . . . 3.5 1.8 4.0 . . . . . A . 21 ARG H . . A . 20 GLU HA . . . 21 . HN . . . . . 20 . HA . . rr_1hp9 1 147 1 OR . 1 1 20 20 GLU H H . . . 1 1 20 20 GLU HB2 H . . . . . 2.5 1.8 3.5 . . . . . A . 20 GLU H . . A . 20 GLU HB2 . . . 20 . HN . . . . . 20 . HB# . . rr_1hp9 1 147 2 OR . 1 1 20 20 GLU H H . . . 1 1 20 20 GLU HB3 H . . . . . 2.5 1.8 3.5 . . . . . A . 20 GLU H . . A . 20 GLU HB3 . . . 20 . HN . . . . . 20 . HB# . . rr_1hp9 1 148 1 OR . 1 1 21 21 ARG H H . . . 1 1 20 20 GLU HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 21 ARG H . . A . 20 GLU HG2 . . . 21 . HN . . . . . 20 . HG# . . rr_1hp9 1 148 2 OR . 1 1 20 20 GLU HG3 H . . . 1 1 21 21 ARG H H . . . . . 4.0 1.8 5.0 . . . . . A . 20 GLU HG3 . . A . 21 ARG H . . . 20 . HG# . . . . . 21 . HN . . rr_1hp9 1 149 1 OR . 1 1 22 22 CYS H H . . . 1 1 21 21 ARG HB2 H . . . . . 5.0 1.8 6.0 . . . . . A . 22 CYS H . . A . 21 ARG HB2 . . . 22 . HN . . . . . 21 . HB# . . rr_1hp9 1 149 2 OR . 1 1 22 22 CYS H H . . . 1 1 21 21 ARG HB3 H . . . . . 5.0 1.8 6.0 . . . . . A . 22 CYS H . . A . 21 ARG HB3 . . . 22 . HN . . . . . 21 . HB# . . rr_1hp9 1 150 1 OR . 1 1 21 21 ARG H H . . . 1 1 21 21 ARG HB2 H . . . . . 3.0 1.8 4.0 . . . . . A . 21 ARG H . . A . 21 ARG HB2 . . . 21 . HN . . . . . 21 . HB# . . rr_1hp9 1 150 2 OR . 1 1 21 21 ARG HB3 H . . . 1 1 21 21 ARG H H . . . . . 3.0 1.8 4.0 . . . . . A . 21 ARG HB3 . . A . 21 ARG H . . . 21 . HB# . . . . . 21 . HN . . rr_1hp9 1 151 1 . . 1 1 22 22 CYS H H . . . 1 1 21 21 ARG HA H . . . . . 5.0 1.8 5.5 . . . . . A . 22 CYS H . . A . 21 ARG HA . . . 22 . HN . . . . . 21 . HA . . rr_1hp9 1 152 1 OR . 1 1 21 21 ARG HE H . . . 1 1 21 21 ARG HD2 H . . . . . 3.0 1.8 4.0 . . . . . A . 21 ARG HE . . A . 21 ARG HD2 . . . 21 . HE# . . . . . 21 . HD# . . rr_1hp9 1 152 2 OR . 1 1 21 21 ARG HE H . . . 1 1 21 21 ARG HD3 H . . . . . 3.0 1.8 4.0 . . . . . A . 21 ARG HE . . A . 21 ARG HD3 . . . 21 . HE# . . . . . 21 . HD# . . rr_1hp9 1 153 1 OR . 1 1 21 21 ARG HE H . . . 1 1 21 21 ARG HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 21 ARG HE . . A . 21 ARG HB2 . . . 21 . HE# . . . . . 21 . HB# . . rr_1hp9 1 153 2 OR . 1 1 21 21 ARG HE H . . . 1 1 21 21 ARG HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 21 ARG HE . . A . 21 ARG HB3 . . . 21 . HE# . . . . . 21 . HB# . . rr_1hp9 1 154 1 OR . 1 1 21 21 ARG HE H . . . 1 1 21 21 ARG HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 21 ARG HE . . A . 21 ARG HG2 . . . 21 . HE# . . . . . 21 . HG# . . rr_1hp9 1 154 2 OR . 1 1 21 21 ARG HE H . . . 1 1 21 21 ARG HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 21 ARG HE . . A . 21 ARG HG3 . . . 21 . HE# . . . . . 21 . HG# . . rr_1hp9 1 155 1 OR . 1 1 21 21 ARG H H . . . 1 1 17 17 THR MG H . . . . . 5.5 1.8 7.5 . . . . . A . 21 ARG H . . A . 17 THR MG . . . 21 . HN . . . . . 17 . HG# . . rr_1hp9 1 155 2 OR . 1 1 17 17 THR HG1 H . . . 1 1 21 21 ARG H H . . . . . 5.5 1.8 7.5 . . . . . A . 17 THR HG1 . . A . 21 ARG H . . . 17 . HG# . . . . . 21 . HN . . rr_1hp9 1 156 1 . . 1 1 22 22 CYS H H . . . 1 1 22 22 CYS HA H . . . . . 4.0 1.8 4.5 . . . . . A . 22 CYS H . . A . 22 CYS HA . . . 22 . HN . . . . . 22 . HA . . rr_1hp9 1 157 1 OR . 1 1 22 22 CYS H H . . . 1 1 22 22 CYS HB2 H . . . . . 3.0 1.8 4.0 . . . . . A . 22 CYS H . . A . 22 CYS HB2 . . . 22 . HN . . . . . 22 . HB# . . rr_1hp9 1 157 2 OR . 1 1 22 22 CYS H H . . . 1 1 22 22 CYS HB3 H . . . . . 3.0 1.8 4.0 . . . . . A . 22 CYS H . . A . 22 CYS HB3 . . . 22 . HN . . . . . 22 . HB# . . rr_1hp9 1 158 1 OR . 1 1 5 5 TYR QD H . . . 1 1 22 22 CYS HB2 H . . . . . 5.5 1.8 6.5 . . . . . A . 5 TYR QD . . A . 22 CYS HB2 . . . 5 . HD# . . . . . 22 . HB# . . rr_1hp9 1 158 2 OR . 1 1 22 22 CYS HB3 H . . . 1 1 5 5 TYR QD H . . . . . 5.5 1.8 6.5 . . . . . A . 22 CYS HB3 . . A . 5 TYR QD . . . 22 . HB# . . . . . 5 . HD# . . rr_1hp9 1 159 1 OR . 1 1 22 22 CYS HB3 H . . . 1 1 5 5 TYR HE1 H . . . . . 5.5 1.8 6.5 . . . . . A . 22 CYS HB3 . . A . 5 TYR HE1 . . . 22 . HB# . . . . . 5 . HE# . . rr_1hp9 1 159 2 OR . 1 1 5 5 TYR HE1 H . . . 1 1 22 22 CYS HB2 H . . . . . 5.5 1.8 6.5 . . . . . A . 5 TYR HE1 . . A . 22 CYS HB2 . . . 5 . HE# . . . . . 22 . HB# . . rr_1hp9 1 159 3 OR . 1 1 22 22 CYS HB3 H . . . 1 1 5 5 TYR HE2 H . . . . . 5.5 1.8 6.5 . . . . . A . 22 CYS HB3 . . A . 5 TYR HE2 . . . 22 . HB# . . . . . 5 . HE# . . rr_1hp9 1 159 4 OR . 1 1 5 5 TYR HE2 H . . . 1 1 22 22 CYS HB2 H . . . . . 5.5 1.8 6.5 . . . . . A . 5 TYR HE2 . . A . 22 CYS HB2 . . . 5 . HE# . . . . . 22 . HB# . . rr_1hp9 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 A3 2 1 2 4 rr_1hp9 1 2 C4 11 1 11 4 rr_1hp9 1 3 Y5 16 1 16 4 rr_1hp9 1 4 R6 38 1 38 4 rr_1hp9 1 5 N7 43 2 43 5 rr_1hp9 1 6 C8 51 2 51 5 rr_1hp9 1 7 W9 61 1 61 4 rr_1hp9 1 8 'assign (resid 9 and name HA )(resid 9 and name HD1 ) 2.5 0.7 1.0' 78 1 78 78 rr_1hp9 1 9 R10 83 1 83 5 rr_1hp9 1 10 E11 96 1 96 5 rr_1hp9 1 11 G12 103 1 103 5 rr_1hp9 1 12 ; assign (resid 12 and name HA# )(resid 13 and name HD# ) 5.0 3.2 1.0 assign (resid 12 and name HN )(resid 16 and name HB# ) 5.0 3.2 1.0 N13 ; 107 1 111 5 rr_1hp9 1 13 'assign (resid 13 and name HB# )(resid 17 and name HG# ) 3.5 1.7 2.0' 113 1 113 78 rr_1hp9 1 14 D14 118 2 118 6 rr_1hp9 1 15 E15 126 1 126 5 rr_1hp9 1 16 E16 131 2 131 6 rr_1hp9 1 17 T17 141 2 141 6 rr_1hp9 1 18 C18 155 1 155 5 rr_1hp9 1 19 K19 163 2 163 6 rr_1hp9 1 20 E20 172 1 172 5 rr_1hp9 1 21 E21 177 2 177 6 rr_1hp9 1 22 C22 185 2 185 6 rr_1hp9 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_1hp9 _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 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_1hp9 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 6 6 ARG N N . . . 1 1 3 3 ALA O O . . . . . 2.5 2.0 3.0 . . . . . A . 6 ARG N . . A . 3 ALA O . . . 6 . N . . . . . 3 . O . . rr_1hp9 2 2 1 . . 1 1 6 6 ARG H H . . . 1 1 3 3 ALA O O . . . . . 3.0 2.5 3.8 . . . . . A . 6 ARG H . . A . 3 ALA O . . . 6 . HN . . . . . 3 . O . . rr_1hp9 2 3 1 . . 1 1 10 10 ARG N N . . . 1 1 7 7 ASN O O . . . . . 2.5 2.0 3.0 . . . . . A . 10 ARG N . . A . 7 ASN O . . . 10 . N . . . . . 7 . O . . rr_1hp9 2 4 1 . . 1 1 10 10 ARG H H . . . 1 1 7 7 ASN O O . . . . . 3.0 2.5 3.8 . . . . . A . 10 ARG H . . A . 7 ASN O . . . 10 . HN . . . . . 7 . O . . rr_1hp9 2 5 1 . . 1 1 19 19 LYS N N . . . 1 1 16 16 GLU O O . . . . . 2.5 2.0 3.0 . . . . . A . 19 LYS N . . A . 16 GLU O . . . 19 . N . . . . . 16 . O . . rr_1hp9 2 6 1 . . 1 1 19 19 LYS H H . . . 1 1 16 16 GLU O O . . . . . 3.0 2.5 3.5 . . . . . A . 19 LYS H . . A . 16 GLU O . . . 19 . HN . . . . . 16 . O . . rr_1hp9 2 7 1 . . 1 1 17 17 THR N N . . . 1 1 14 14 ASP O O . . . . . 2.5 2.0 3.3 . . . . . A . 17 THR N . . A . 14 ASP O . . . 17 . N . . . . . 14 . O . . rr_1hp9 2 8 1 . . 1 1 17 17 THR H H . . . 1 1 14 14 ASP O O . . . . . 3.0 2.5 3.5 . . . . . A . 17 THR H . . A . 14 ASP O . . . 17 . HN . . . . . 14 . O . . rr_1hp9 2 9 1 . . 1 1 21 21 ARG N N . . . 1 1 18 18 CYS O O . . . . . 2.5 2.0 3.0 . . . . . A . 21 ARG N . . A . 18 CYS O . . . 21 . N . . . . . 18 . O . . rr_1hp9 2 10 1 . . 1 1 21 21 ARG H H . . . 1 1 18 18 CYS O O . . . . . 3.0 2.5 3.5 . . . . . A . 21 ARG H . . A . 18 CYS O . . . 21 . HN . . . . . 18 . O . . rr_1hp9 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 'the following hydrogen bonding constraints are calculated from H-D exchange' 2 1 2 78 rr_1hp9 2 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 ; TOCSY EXPERIMENT. ; 3 1 4 11 rr_1hp9 2 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Entry_ID rr_1hp9 _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 2 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_1hp9 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 5 5 TYR C C . . 1 1 6 6 ARG N N . . 1 1 6 6 ARG CA C . . 1 1 6 6 ARG C C . -180.0 -60.0 . . . A . 5 TYR C . . A . 6 ARG N . . A . 6 ARG CA . . A . 6 ARG C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_1hp9 1 2 . . 1 1 6 6 ARG C C . . 1 1 7 7 ASN N N . . 1 1 7 7 ASN CA C . . 1 1 7 7 ASN C C . -90.0 -30.0 . . . A . 6 ARG C . . A . 7 ASN N . . A . 7 ASN CA . . A . 7 ASN C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_1hp9 1 3 . . 1 1 7 7 ASN C C . . 1 1 8 8 CYS N N . . 1 1 8 8 CYS CA C . . 1 1 8 8 CYS C C . -100.0 -20.0 . . . A . 7 ASN C . . A . 8 CYS N . . A . 8 CYS CA . . A . 8 CYS C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_1hp9 1 4 . . 1 1 8 8 CYS C C . . 1 1 9 9 TRP N N . . 1 1 9 9 TRP CA C . . 1 1 9 9 TRP C C . -160.0 -80.0 . . . A . 8 CYS C . . A . 9 TRP N . . A . 9 TRP CA . . A . 9 TRP C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . rr_1hp9 1 5 . . 1 1 14 14 ASP C C . . 1 1 15 15 GLU N N . . 1 1 15 15 GLU CA C . . 1 1 15 15 GLU C C . -160.0 -80.0 . . . A . 14 ASP C . . A . 15 GLU N . . A . 15 GLU CA . . A . 15 GLU C . . . 14 . C . . . . . 15 . N . . . . . 15 . CA . . . . . 15 . C . . rr_1hp9 1 6 . . 1 1 15 15 GLU C C . . 1 1 16 16 GLU N N . . 1 1 16 16 GLU CA C . . 1 1 16 16 GLU C C . -180.0 -60.0 . . . A . 15 GLU C . . A . 16 GLU N . . A . 16 GLU CA . . A . 16 GLU C . . . 15 . C . . . . . 16 . N . . . . . 16 . CA . . . . . 16 . C . . rr_1hp9 1 7 . . 1 1 17 17 THR C C . . 1 1 18 18 CYS N N . . 1 1 18 18 CYS CA C . . 1 1 18 18 CYS C C . -90.0 -30.0 . . . A . 17 THR C . . A . 18 CYS N . . A . 18 CYS CA . . A . 18 CYS C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_1hp9 1 8 . . 1 1 18 18 CYS C C . . 1 1 19 19 LYS N N . . 1 1 19 19 LYS CA C . . 1 1 19 19 LYS C C . -90.0 -30.0 . . . A . 18 CYS C . . A . 19 LYS N . . A . 19 LYS CA . . A . 19 LYS C . . . 18 . C . . . . . 19 . N . . . . . 19 . CA . . . . . 19 . C . . rr_1hp9 1 9 . . 1 1 19 19 LYS C C . . 1 1 20 20 GLU N N . . 1 1 20 20 GLU CA C . . 1 1 20 20 GLU C C . -180.0 -60.0 . . . A . 19 LYS C . . A . 20 GLU N . . A . 20 GLU CA . . A . 20 GLU C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . rr_1hp9 1 10 . . 1 1 20 20 GLU C C . . 1 1 21 21 ARG N N . . 1 1 21 21 ARG CA C . . 1 1 21 21 ARG C C . -180.0 -60.0 . . . A . 20 GLU C . . A . 21 ARG N . . A . 21 ARG CA . . A . 21 ARG C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . rr_1hp9 1 11 . . 1 1 21 21 ARG C C . . 1 1 22 22 CYS N N . . 1 1 22 22 CYS CA C . . 1 1 22 22 CYS C C . -180.0 -60.0 . . . A . 21 ARG C . . A . 22 CYS N . . A . 22 CYS CA . . A . 22 CYS C . . . 21 . C . . . . . 22 . N . . . . . 22 . CA . . . . . 22 . C . . rr_1hp9 1 12 . . 1 1 5 5 TYR N N . . 1 1 5 5 TYR CA C . . 1 1 5 5 TYR CB C . . 1 1 5 5 TYR CG C . -120.0 0.0 . . . A . 5 TYR N . . A . 5 TYR CA . . A . 5 TYR CB . . A . 5 TYR CG . . . 5 . N . . . . . 5 . CA . . . . . 5 . CB . . . . . 5 . CG . . rr_1hp9 1 13 . . 1 1 8 8 CYS N N . . 1 1 8 8 CYS CA C . . 1 1 8 8 CYS CB C . . 1 1 8 8 CYS SG S . 120.0 240.0 . . . A . 8 CYS N . . A . 8 CYS CA . . A . 8 CYS CB . . A . 8 CYS SG . . . 8 . N . . . . . 8 . CA . . . . . 8 . CB . . . . . 8 . SG . . rr_1hp9 1 14 . . 1 1 9 9 TRP N N . . 1 1 9 9 TRP CA C . . 1 1 9 9 TRP CB C . . 1 1 9 9 TRP CG C . 0.0 120.0 . . . A . 9 TRP N . . A . 9 TRP CA . . A . 9 TRP CB . . A . 9 TRP CG . . . 9 . N . . . . . 9 . CA . . . . . 9 . CB . . . . . 9 . CG . . rr_1hp9 1 15 . . 1 1 18 18 CYS N N . . 1 1 18 18 CYS CA C . . 1 1 18 18 CYS CB C . . 1 1 18 18 CYS SG S . -120.0 0.0 . . . A . 18 CYS N . . A . 18 CYS CA . . A . 18 CYS CB . . A . 18 CYS SG . . . 18 . N . . . . . 18 . CA . . . . . 18 . CB . . . . . 18 . SG . . rr_1hp9 1 16 . . 1 1 20 20 GLU N N . . 1 1 20 20 GLU CA C . . 1 1 20 20 GLU CB C . . 1 1 20 20 GLU CG C . -120.0 0.0 . . . A . 20 GLU N . . A . 20 GLU CA . . A . 20 GLU CB . . A . 20 GLU CG . . . 20 . N . . . . . 20 . CA . . . . . 20 . CB . . . . . 20 . CG . . rr_1hp9 1 17 . . 1 1 22 22 CYS N N . . 1 1 22 22 CYS CA C . . 1 1 22 22 CYS CB C . . 1 1 22 22 CYS SG S . 120.0 240.0 . . . A . 22 CYS N . . A . 22 CYS CA . . A . 22 CYS CB . . A . 22 CYS SG . . . 22 . N . . . . . 22 . CA . . . . . 22 . CB . . . . . 22 . SG . . rr_1hp9 1 18 . . 1 1 19 19 LYS N N . . 1 1 19 19 LYS CA C . . 1 1 19 19 LYS CB C . . 1 1 19 19 LYS CG C . 120.0 240.0 . . . A . 19 LYS N . . A . 19 LYS CA . . A . 19 LYS CB . . A . 19 LYS CG . . . 19 . N . . . . . 19 . CA . . . . . 19 . CB . . . . . 19 . CG . . rr_1hp9 1 19 . . 1 1 7 7 ASN N N . . 1 1 7 7 ASN CA C . . 1 1 7 7 ASN CB C . . 1 1 7 7 ASN CG C . -120.0 0.0 . . . A . 7 ASN N . . A . 7 ASN CA . . A . 7 ASN CB . . A . 7 ASN CG . . . 7 . N . . . . . 7 . CA . . . . . 7 . CB . . . . . 7 . CG . . rr_1hp9 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 2 18 1 "Not handling restraint 18, resonance(s) ' .3.CG' (nmrStar names) not linked" rr_1hp9 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_1hp9 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER TOXIN 12-DEC-00 1HP9 *TITLE KAPPA-HEFUTOXINS: A NOVEL CLASS OF POTASSIUM CHANNEL TOXINS *TITLE 2 FROM SCORPION VENOM *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: KAPPA-HEFUTOXIN 1; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN THE *SOURCE 4 SCORPION, HETEROMETRUS FULVIPES *KEYWDS SCORPION TOXIN, GATING MODIFIER, VOLTAGE-GATED POTASSIUM *KEYWDS 2 CHANNEL *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR K.N.SRINIVASAN, V.SIVARAJA, I.HUYS, T.SASAKI, B.CHENG, *AUTHOR 2 T.K.S.KUMAR, K.SATO, J.TYTGAT, C.YU, C.S.BRIAN CHIA, *AUTHOR 3 S.RANGANATHAN, J.H.BOWIE, R.M.KINI, P.GOPALAKRISHNAKONE *REVDAT 1 28-AUG-02 1HP9 0' save_