data_Remediated_restraints_file_for_PDB_entry_1kqe # This BMRB archive file contains, for PDB entry 1kqe: # # - 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_1kqe _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1kqe' _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 1kqe' _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 1kqe 'Master copy' rr_1kqe stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1kqe _Assembly.ID 1 _Assembly.Name 1kqe _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 6291.7252 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 'Gramicidin A' 1 $Gramicidin_A A . no . . . . . . rr_1kqe 1 2 'Gramicidin A' 1 $Gramicidin_A B . no . . . . . . rr_1kqe 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Gramicidin_A _Entity.Sf_category entity _Entity.Sf_framecode Gramicidin_A _Entity.Entry_ID rr_1kqe _Entity.ID 1 _Entity.Name Gramicidin_A _Entity.Type non-polymer _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_chirality yes _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID ETA _Entity.Number_of_monomers 25 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 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 . ETA . rr_1kqe 1 2 . TRP . rr_1kqe 1 3 . . . rr_1kqe 1 4 . TRP . rr_1kqe 1 5 . . . rr_1kqe 1 6 . TRP . rr_1kqe 1 7 . . . rr_1kqe 1 8 . TRP . rr_1kqe 1 9 . . . rr_1kqe 1 10 . VAL . rr_1kqe 1 11 . . . rr_1kqe 1 12 . ALA . rr_1kqe 1 13 . SIN . rr_1kqe 1 14 . ALA . rr_1kqe 1 15 . . . rr_1kqe 1 16 . VAL . rr_1kqe 1 17 . . . rr_1kqe 1 18 . TRP . rr_1kqe 1 19 . . . rr_1kqe 1 20 . TRP . rr_1kqe 1 21 . . . rr_1kqe 1 22 . TRP . rr_1kqe 1 23 . . . rr_1kqe 1 24 . TRP . rr_1kqe 1 25 . ETA . rr_1kqe 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ETA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ETA _Chem_comp.Entry_ID rr_1kqe _Chem_comp.ID ETA _Chem_comp.Name ETHANOLAMINE _Chem_comp.Type non-polymer _Chem_comp.PDB_code ETA _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H7 N O' _Chem_comp.Formula_weight 61.0834 save_ save_chem_comp_DLE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DLE _Chem_comp.Entry_ID rr_1kqe _Chem_comp.ID 1 _Chem_comp.Name Dle _Chem_comp.Type 'L-peptide linking' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H11 N O' _Chem_comp.Formula_weight 113.159 save_ save_chem_comp_DVA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_DVA _Chem_comp.Entry_ID rr_1kqe _Chem_comp.ID 2 _Chem_comp.Name Dva _Chem_comp.Type 'L-peptide linking' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C5 H9 N O' _Chem_comp.Formula_weight 99.1322 save_ save_chem_comp_SIN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SIN _Chem_comp.Entry_ID rr_1kqe _Chem_comp.ID SIN _Chem_comp.Name 'SUCCINIC ACID' _Chem_comp.Type non-polymer _Chem_comp.PDB_code SIN _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H6 O4' _Chem_comp.Formula_weight 118.089 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_1kqe _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_1kqe _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_1kqe 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_1kqe 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 ETA CA C -0.066 23.257 3.316 . . . 1.0 . . . . . . . . . . . . A . 1 ETA CA . . . . . . . . . rr_1kqe 1 . 1 . 2 . 1 1 1 ETA CB C 0.753 22.817 4.543 . . . 1.0 . . . . . . . . . . . . A . 1 ETA CB . . . . . . . . . rr_1kqe 1 . 1 . 3 . 1 1 1 ETA HA1 H -1.122 23.300 3.581 . . . 1.0 . . . . . . . . . . . . A . 1 ETA HA1 . . . . . . . . . rr_1kqe 1 . 1 . 4 . 1 1 1 ETA HA2 H 0.268 24.243 2.991 . . . 1.0 . . . . . . . . . . . . A . 1 ETA HA2 . . . . . . . . . rr_1kqe 1 . 1 . 5 . 1 1 1 ETA HB1 H 1.724 23.314 4.530 . . . 1.0 . . . . . . . . . . . . A . 1 ETA HB1 . . . . . . . . . rr_1kqe 1 . 1 . 6 . 1 1 1 ETA HB2 H 0.898 21.737 4.514 . . . 1.0 . . . . . . . . . . . . A . 1 ETA HB2 . . . . . . . . . rr_1kqe 1 . 1 . 7 . 1 1 1 ETA HN1 H -0.462 21.451 2.064 . . . 1.0 . . . . . . . . . . . . A . 1 ETA HN1 . . . . . . . . . rr_1kqe 1 . 1 . 8 . 1 1 1 ETA HO H -0.208 22.376 6.205 . . . 1.0 . . . . . . . . . . . . A . 1 ETA HO . . . . . . . . . rr_1kqe 1 . 1 . 9 . 1 1 1 ETA N N 0.130 22.281 2.212 . . . 1.0 . . . . . . . . . . . . A . 1 ETA N . . . . . . . . . rr_1kqe 1 . 1 . 10 . 1 1 1 ETA O O 0.053 23.172 5.736 . . . 1.0 . . . . . . . . . . . . A . 1 ETA O . . . . . . . . . rr_1kqe 1 . 1 . 11 . 1 1 2 TRP C C 1.138 22.497 1.359 . . . 1.0 . . . . . . . . . . . . A . 2 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 12 . 1 1 2 TRP CA C 1.231 21.429 0.273 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 13 . 1 1 2 TRP CB C 2.060 21.963 -0.892 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 14 . 1 1 2 TRP CD1 C 0.677 21.431 -2.976 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 15 . 1 1 2 TRP CD2 C 2.647 20.378 -2.893 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 16 . 1 1 2 TRP CE2 C 2.000 20.024 -4.092 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 17 . 1 1 2 TRP CE3 C 3.901 19.833 -2.618 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 18 . 1 1 2 TRP CG C 1.788 21.289 -2.201 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 19 . 1 1 2 TRP CH2 C 3.803 18.635 -4.722 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 20 . 1 1 2 TRP CZ2 C 2.571 19.151 -5.016 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 21 . 1 1 2 TRP CZ3 C 4.466 18.965 -3.533 . . . 1.0 . . . . . . . . . . . . A . 2 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 22 . 1 1 2 TRP H H -0.851 21.624 -0.064 . . . 1.0 . . . . . . . . . . . . A . 2 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 23 . 1 1 2 TRP HA H 1.723 20.561 0.678 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 24 . 1 1 2 TRP HB2 H 1.855 23.015 -1.014 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 25 . 1 1 2 TRP HB3 H 3.107 21.833 -0.662 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 26 . 1 1 2 TRP HD1 H -0.166 22.048 -2.714 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 27 . 1 1 2 TRP HE1 H 0.133 20.625 -4.838 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 28 . 1 1 2 TRP HE3 H 4.420 20.068 -1.703 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 29 . 1 1 2 TRP HH2 H 4.283 17.952 -5.408 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 30 . 1 1 2 TRP HZ2 H 2.074 18.887 -5.937 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 31 . 1 1 2 TRP HZ3 H 5.438 18.535 -3.338 . . . 1.0 . . . . . . . . . . . . A . 2 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 32 . 1 1 2 TRP N N -0.093 21.016 -0.179 . . . 1.0 . . . . . . . . . . . . A . 2 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 33 . 1 1 2 TRP NE1 N 0.798 20.681 -4.121 . . . 1.0 . . . . . . . . . . . . A . 2 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 34 . 1 1 2 TRP O O 1.928 23.446 1.408 . . . 1.0 . . . . . . . . . . . . A . 2 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 35 . 1 1 3 . C C -0.285 19.833 -0.746 . . . 1.0 . . . . . . . . . . . . A . 3 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 36 . 1 1 3 . CA C -1.709 19.501 -1.182 . . . 1.0 . . . . . . . . . . . . A . 3 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 37 . 1 1 3 . CB C -1.756 19.308 -2.699 . . . 1.0 . . . . . . . . . . . . A . 3 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 38 . 1 1 3 . CD1 C -2.989 17.958 -4.413 . . . 1.0 . . . . . . . . . . . . A . 3 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 39 . 1 1 3 . CD2 C -3.870 20.194 -3.713 . . . 1.0 . . . . . . . . . . . . A . 3 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 40 . 1 1 3 . CG C -3.129 18.943 -3.262 . . . 1.0 . . . . . . . . . . . . A . 3 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 41 . 1 1 3 . H H -1.836 17.425 -0.745 . . . 1.0 . . . . . . . . . . . . A . 3 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 42 . 1 1 3 . HA H -2.358 20.321 -0.915 . . . 1.0 . . . . . . . . . . . . A . 3 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 43 . 1 1 3 . HB2 H -1.064 18.520 -2.960 . . . 1.0 . . . . . . . . . . . . A . 3 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 44 . 1 1 3 . HB3 H -1.427 20.224 -3.168 . . . 1.0 . . . . . . . . . . . . A . 3 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 45 . 1 1 3 . HD11 H -2.119 17.340 -4.253 . . . 1.0 . . . . . . . . . . . . A . 3 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 46 . 1 1 3 . HD12 H -2.878 18.502 -5.339 . . . 1.0 . . . . . . . . . . . . A . 3 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 47 . 1 1 3 . HD13 H -3.870 17.336 -4.464 . . . 1.0 . . . . . . . . . . . . A . 3 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 48 . 1 1 3 . HD21 H -4.310 20.020 -4.683 . . . 1.0 . . . . . . . . . . . . A . 3 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 49 . 1 1 3 . HD22 H -3.177 21.020 -3.773 . . . 1.0 . . . . . . . . . . . . A . 3 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 50 . 1 1 3 . HD23 H -4.648 20.427 -3.001 . . . 1.0 . . . . . . . . . . . . A . 3 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 51 . 1 1 3 . HG H -3.715 18.470 -2.488 . . . 1.0 . . . . . . . . . . . . A . 3 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 52 . 1 1 3 . N N -2.204 18.301 -0.512 . . . 1.0 . . . . . . . . . . . . A . 3 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 53 . 1 1 3 . O O 0.627 19.031 -0.923 . . . 1.0 . . . . . . . . . . . . A . 3 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 54 . 1 1 4 TRP C C -3.158 18.341 0.385 . . . 1.0 . . . . . . . . . . . . A . 4 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 55 . 1 1 4 TRP CA C -3.549 16.986 0.943 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 56 . 1 1 4 TRP CB C -5.052 16.872 1.009 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 57 . 1 1 4 TRP CD1 C -6.172 17.056 -1.297 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 58 . 1 1 4 TRP CD2 C -5.814 14.972 -0.595 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 59 . 1 1 4 TRP CE2 C -6.442 14.912 -1.850 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 60 . 1 1 4 TRP CE3 C -5.482 13.792 0.052 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 61 . 1 1 4 TRP CG C -5.662 16.343 -0.252 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 62 . 1 1 4 TRP CH2 C -6.407 12.552 -1.812 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 63 . 1 1 4 TRP CZ2 C -6.746 13.704 -2.471 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 64 . 1 1 4 TRP CZ3 C -5.778 12.588 -0.559 . . . 1.0 . . . . . . . . . . . . A . 4 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 65 . 1 1 4 TRP H H -2.627 17.480 2.784 . . . 1.0 . . . . . . . . . . . . A . 4 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 66 . 1 1 4 TRP HA H -3.181 16.225 0.273 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 67 . 1 1 4 TRP HB2 H -5.321 16.210 1.817 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 68 . 1 1 4 TRP HB3 H -5.449 17.840 1.197 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 69 . 1 1 4 TRP HD1 H -6.194 18.130 -1.344 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 70 . 1 1 4 TRP HE1 H -7.075 16.471 -3.103 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 71 . 1 1 4 TRP HE3 H -4.990 13.818 1.011 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 72 . 1 1 4 TRP HH2 H -6.623 11.591 -2.255 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 73 . 1 1 4 TRP HZ2 H -7.229 13.661 -3.436 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 74 . 1 1 4 TRP HZ3 H -5.528 11.659 -0.070 . . . 1.0 . . . . . . . . . . . . A . 4 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 75 . 1 1 4 TRP N N -2.960 16.738 2.243 . . . 1.0 . . . . . . . . . . . . A . 4 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 76 . 1 1 4 TRP NE1 N -6.653 16.201 -2.261 . . . 1.0 . . . . . . . . . . . . A . 4 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 77 . 1 1 4 TRP O O -3.722 19.375 0.734 . . . 1.0 . . . . . . . . . . . . A . 4 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 78 . 1 1 5 . C C -2.859 15.509 2.694 . . . 1.0 . . . . . . . . . . . . A . 5 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 79 . 1 1 5 . CA C -2.210 15.327 4.049 . . . 1.0 . . . . . . . . . . . . A . 5 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 80 . 1 1 5 . CB C -3.264 14.849 5.049 . . . 1.0 . . . . . . . . . . . . A . 5 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 81 . 1 1 5 . CD1 C -3.929 13.987 7.321 . . . 1.0 . . . . . . . . . . . . A . 5 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 82 . 1 1 5 . CD2 C -1.877 15.423 7.158 . . . 1.0 . . . . . . . . . . . . A . 5 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 83 . 1 1 5 . CG C -2.752 14.380 6.438 . . . 1.0 . . . . . . . . . . . . A . 5 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 84 . 1 1 5 . H H -1.363 13.435 3.679 . . . 1.0 . . . . . . . . . . . . A . 5 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 85 . 1 1 5 . HA H -1.795 16.267 4.362 . . . 1.0 . . . . . . . . . . . . A . 5 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 86 . 1 1 5 . HB2 H -3.771 14.018 4.588 . . . 1.0 . . . . . . . . . . . . A . 5 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 87 . 1 1 5 . HB3 H -3.992 15.639 5.185 . . . 1.0 . . . . . . . . . . . . A . 5 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 88 . 1 1 5 . HD11 H -4.043 12.914 7.310 . . . 1.0 . . . . . . . . . . . . A . 5 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 89 . 1 1 5 . HD12 H -4.833 14.447 6.948 . . . 1.0 . . . . . . . . . . . . A . 5 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 90 . 1 1 5 . HD13 H -3.750 14.318 8.334 . . . 1.0 . . . . . . . . . . . . A . 5 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 91 . 1 1 5 . HD21 H -2.369 16.387 7.176 . . . 1.0 . . . . . . . . . . . . A . 5 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 92 . 1 1 5 . HD22 H -0.923 15.514 6.661 . . . 1.0 . . . . . . . . . . . . A . 5 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 93 . 1 1 5 . HD23 H -1.707 15.098 8.176 . . . 1.0 . . . . . . . . . . . . A . 5 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 94 . 1 1 5 . HG H -2.146 13.497 6.296 . . . 1.0 . . . . . . . . . . . . A . 5 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 95 . 1 1 5 . N N -1.135 14.360 3.895 . . . 1.0 . . . . . . . . . . . . A . 5 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 96 . 1 1 5 . O O -3.248 14.538 2.052 . . . 1.0 . . . . . . . . . . . . A . 5 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 97 . 1 1 6 TRP C C 0.141 14.690 3.989 . . . 1.0 . . . . . . . . . . . . A . 6 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 98 . 1 1 6 TRP CA C 1.111 13.553 3.737 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 99 . 1 1 6 TRP CB C 2.327 13.650 4.648 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 100 . 1 1 6 TRP CD1 C 1.168 13.226 6.861 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 101 . 1 1 6 TRP CD2 C 2.763 11.739 6.400 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 102 . 1 1 6 TRP CE2 C 2.204 11.417 7.651 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 103 . 1 1 6 TRP CE3 C 3.783 10.937 5.895 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 104 . 1 1 6 TRP CG C 2.097 12.916 5.929 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 105 . 1 1 6 TRP CH2 C 3.635 9.554 7.879 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 106 . 1 1 6 TRP CZ2 C 2.633 10.325 8.401 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 107 . 1 1 6 TRP CZ3 C 4.209 9.851 6.636 . . . 1.0 . . . . . . . . . . . . A . 6 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 108 . 1 1 6 TRP H H 1.382 14.316 1.774 . . . 1.0 . . . . . . . . . . . . A . 6 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 109 . 1 1 6 TRP HA H 0.602 12.623 3.951 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 110 . 1 1 6 TRP HB2 H 3.183 13.216 4.154 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 111 . 1 1 6 TRP HB3 H 2.527 14.691 4.880 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 112 . 1 1 6 TRP HD1 H 0.496 14.055 6.771 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 113 . 1 1 6 TRP HE1 H 0.668 12.371 8.714 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 114 . 1 1 6 TRP HE3 H 4.226 11.147 4.938 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 115 . 1 1 6 TRP HH2 H 3.999 8.696 8.425 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 116 . 1 1 6 TRP HZ2 H 2.200 10.083 9.360 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 117 . 1 1 6 TRP HZ3 H 4.999 9.219 6.258 . . . 1.0 . . . . . . . . . . . . A . 6 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 118 . 1 1 6 TRP N N 1.492 13.512 2.334 . . . 1.0 . . . . . . . . . . . . A . 6 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 119 . 1 1 6 TRP NE1 N 1.229 12.344 7.912 . . . 1.0 . . . . . . . . . . . . A . 6 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 120 . 1 1 6 TRP O O 0.537 15.825 4.218 . . . 1.0 . . . . . . . . . . . . A . 6 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 121 . 1 1 7 . C C 1.980 12.402 1.814 . . . 1.0 . . . . . . . . . . . . A . 7 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 122 . 1 1 7 . CA C 2.345 12.414 0.332 . . . 1.0 . . . . . . . . . . . . A . 7 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 123 . 1 1 7 . CB C 3.857 12.305 0.161 . . . 1.0 . . . . . . . . . . . . A . 7 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 124 . 1 1 7 . CD1 C 4.522 13.050 -2.140 . . . 1.0 . . . . . . . . . . . . A . 7 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 125 . 1 1 7 . CD2 C 5.562 11.002 -1.149 . . . 1.0 . . . . . . . . . . . . A . 7 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 126 . 1 1 7 . CG C 4.303 11.850 -1.232 . . . 1.0 . . . . . . . . . . . . A . 7 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 127 . 1 1 7 . H H 1.687 10.424 -0.022 . . . 1.0 . . . . . . . . . . . . A . 7 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 128 . 1 1 7 . HA H 2.019 13.338 -0.102 . . . 1.0 . . . . . . . . . . . . A . 7 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 129 . 1 1 7 . HB2 H 4.231 11.602 0.886 . . . 1.0 . . . . . . . . . . . . A . 7 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 130 . 1 1 7 . HB3 H 4.292 13.273 0.362 . . . 1.0 . . . . . . . . . . . . A . 7 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 131 . 1 1 7 . HD11 H 4.931 13.868 -1.565 . . . 1.0 . . . . . . . . . . . . A . 7 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 132 . 1 1 7 . HD12 H 3.578 13.351 -2.573 . . . 1.0 . . . . . . . . . . . . A . 7 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 133 . 1 1 7 . HD13 H 5.210 12.784 -2.929 . . . 1.0 . . . . . . . . . . . . A . 7 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 134 . 1 1 7 . HD21 H 6.341 11.559 -0.651 . . . 1.0 . . . . . . . . . . . . A . 7 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 135 . 1 1 7 . HD22 H 5.885 10.741 -2.147 . . . 1.0 . . . . . . . . . . . . A . 7 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 136 . 1 1 7 . HD23 H 5.352 10.099 -0.593 . . . 1.0 . . . . . . . . . . . . A . 7 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 137 . 1 1 7 . HG H 3.524 11.244 -1.669 . . . 1.0 . . . . . . . . . . . . A . 7 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 138 . 1 1 7 . N N 1.696 11.323 -0.401 . . . 1.0 . . . . . . . . . . . . A . 7 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 139 . 1 1 7 . O O 2.138 11.404 2.488 . . . 1.0 . . . . . . . . . . . . A . 7 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 140 . 1 1 8 TRP C C 1.155 11.523 -1.596 . . . 1.0 . . . . . . . . . . . . A . 8 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 141 . 1 1 8 TRP CA C 0.541 10.307 -2.293 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 142 . 1 1 8 TRP CB C 0.144 10.684 -3.705 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 143 . 1 1 8 TRP CD1 C 1.822 12.075 -5.061 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 144 . 1 1 8 TRP CD2 C 2.126 9.870 -5.175 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 145 . 1 1 8 TRP CE2 C 3.108 10.491 -5.964 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 146 . 1 1 8 TRP CE3 C 2.108 8.487 -5.081 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 147 . 1 1 8 TRP CG C 1.313 10.891 -4.614 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 148 . 1 1 8 TRP CH2 C 4.033 8.401 -6.548 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 149 . 1 1 8 TRP CZ2 C 4.071 9.765 -6.658 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 150 . 1 1 8 TRP CZ3 C 3.061 7.761 -5.768 . . . 1.0 . . . . . . . . . . . . A . 8 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 151 . 1 1 8 TRP H H -1.502 10.179 -1.912 . . . 1.0 . . . . . . . . . . . . A . 8 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 152 . 1 1 8 TRP HA H 1.253 9.498 -2.349 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 153 . 1 1 8 TRP HB2 H -0.479 9.900 -4.116 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 154 . 1 1 8 TRP HB3 H -0.421 11.586 -3.667 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 155 . 1 1 8 TRP HD1 H 1.422 13.041 -4.803 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 156 . 1 1 8 TRP HE1 H 3.435 12.529 -6.330 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 157 . 1 1 8 TRP HE3 H 1.361 7.986 -4.482 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 158 . 1 1 8 TRP HH2 H 4.760 7.795 -7.068 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 159 . 1 1 8 TRP HZ2 H 4.826 10.245 -7.263 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 160 . 1 1 8 TRP HZ3 H 3.065 6.685 -5.704 . . . 1.0 . . . . . . . . . . . . A . 8 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 161 . 1 1 8 TRP N N -0.640 9.828 -1.627 . . . 1.0 . . . . . . . . . . . . A . 8 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 162 . 1 1 8 TRP NE1 N 2.901 11.842 -5.881 . . . 1.0 . . . . . . . . . . . . A . 8 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 163 . 1 1 8 TRP O O 1.166 12.621 -2.153 . . . 1.0 . . . . . . . . . . . . A . 8 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 164 . 1 1 9 . C C -0.610 8.889 -0.702 . . . 1.0 . . . . . . . . . . . . A . 9 DVA C . . . . . . . . . rr_1kqe 1 . 1 . 165 . 1 1 9 . CA C -1.974 8.471 -0.148 . . . 1.0 . . . . . . . . . . . . A . 9 DVA CA . . . . . . . . . rr_1kqe 1 . 1 . 166 . 1 1 9 . CB C -3.036 8.379 -1.296 . . . 1.0 . . . . . . . . . . . . A . 9 DVA CB . . . . . . . . . rr_1kqe 1 . 1 . 167 . 1 1 9 . CG1 C -2.415 8.013 -2.642 . . . 1.0 . . . . . . . . . . . . A . 9 DVA CG1 . . . . . . . . . rr_1kqe 1 . 1 . 168 . 1 1 9 . CG2 C -4.161 7.407 -0.943 . . . 1.0 . . . . . . . . . . . . A . 9 DVA CG2 . . . . . . . . . rr_1kqe 1 . 1 . 169 . 1 1 9 . H H -1.433 6.458 0.243 . . . 1.0 . . . . . . . . . . . . A . 9 DVA H . . . . . . . . . rr_1kqe 1 . 1 . 170 . 1 1 9 . HA H -2.300 9.241 0.526 . . . 1.0 . . . . . . . . . . . . A . 9 DVA HA . . . . . . . . . rr_1kqe 1 . 1 . 171 . 1 1 9 . HB H -3.478 9.359 -1.404 . . . 1.0 . . . . . . . . . . . . A . 9 DVA HB . . . . . . . . . rr_1kqe 1 . 1 . 172 . 1 1 9 . HG11 H -3.105 7.405 -3.206 . . . 1.0 . . . . . . . . . . . . A . 9 DVA HG11 . . . . . . . . . rr_1kqe 1 . 1 . 173 . 1 1 9 . HG12 H -1.501 7.467 -2.475 . . . 1.0 . . . . . . . . . . . . A . 9 DVA HG12 . . . . . . . . . rr_1kqe 1 . 1 . 174 . 1 1 9 . HG13 H -2.195 8.921 -3.196 . . . 1.0 . . . . . . . . . . . . A . 9 DVA HG13 . . . . . . . . . rr_1kqe 1 . 1 . 175 . 1 1 9 . HG21 H -5.101 7.809 -1.294 . . . 1.0 . . . . . . . . . . . . A . 9 DVA HG21 . . . . . . . . . rr_1kqe 1 . 1 . 176 . 1 1 9 . HG22 H -4.210 7.272 0.127 . . . 1.0 . . . . . . . . . . . . A . 9 DVA HG22 . . . . . . . . . rr_1kqe 1 . 1 . 177 . 1 1 9 . HG23 H -3.981 6.455 -1.421 . . . 1.0 . . . . . . . . . . . . A . 9 DVA HG23 . . . . . . . . . rr_1kqe 1 . 1 . 178 . 1 1 9 . N N -1.864 7.250 0.635 . . . 1.0 . . . . . . . . . . . . A . 9 DVA N . . . . . . . . . rr_1kqe 1 . 1 . 179 . 1 1 9 . O O 0.426 8.340 -0.334 . . . 1.0 . . . . . . . . . . . . A . 9 DVA O . . . . . . . . . rr_1kqe 1 . 1 . 180 . 1 1 10 VAL C C -2.302 7.207 1.890 . . . 1.0 . . . . . . . . . . . . A . 10 VAL C . . . . . . . . . rr_1kqe 1 . 1 . 181 . 1 1 10 VAL CA C -2.098 5.884 2.630 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CA . . . . . . . . . rr_1kqe 1 . 1 . 182 . 1 1 10 VAL CB C -3.055 5.751 3.853 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CB . . . . . . . . . rr_1kqe 1 . 1 . 183 . 1 1 10 VAL CG1 C -4.380 6.480 3.661 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG1 . . . . . . . . . rr_1kqe 1 . 1 . 184 . 1 1 10 VAL CG2 C -3.304 4.283 4.162 . . . 1.0 . . . . . . . . . . . . A . 10 VAL CG2 . . . . . . . . . rr_1kqe 1 . 1 . 185 . 1 1 10 VAL H H -0.235 6.611 3.302 . . . 1.0 . . . . . . . . . . . . A . 10 VAL H . . . . . . . . . rr_1kqe 1 . 1 . 186 . 1 1 10 VAL HA H -2.292 5.066 1.951 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HA . . . . . . . . . rr_1kqe 1 . 1 . 187 . 1 1 10 VAL HB H -2.561 6.188 4.707 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HB . . . . . . . . . rr_1kqe 1 . 1 . 188 . 1 1 10 VAL HG11 H -4.333 7.438 4.160 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG11 . . . . . . . . . rr_1kqe 1 . 1 . 189 . 1 1 10 VAL HG12 H -5.180 5.892 4.086 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG12 . . . . . . . . . rr_1kqe 1 . 1 . 190 . 1 1 10 VAL HG13 H -4.561 6.629 2.607 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG13 . . . . . . . . . rr_1kqe 1 . 1 . 191 . 1 1 10 VAL HG21 H -2.364 3.752 4.173 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG21 . . . . . . . . . rr_1kqe 1 . 1 . 192 . 1 1 10 VAL HG22 H -3.947 3.860 3.405 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG22 . . . . . . . . . rr_1kqe 1 . 1 . 193 . 1 1 10 VAL HG23 H -3.779 4.193 5.129 . . . 1.0 . . . . . . . . . . . . A . 10 VAL HG23 . . . . . . . . . rr_1kqe 1 . 1 . 194 . 1 1 10 VAL N N -0.715 5.786 3.066 . . . 1.0 . . . . . . . . . . . . A . 10 VAL N . . . . . . . . . rr_1kqe 1 . 1 . 195 . 1 1 10 VAL O O -2.805 8.181 2.450 . . . 1.0 . . . . . . . . . . . . A . 10 VAL O . . . . . . . . . rr_1kqe 1 . 1 . 196 . 1 1 11 . C C -0.086 4.620 3.160 . . . 1.0 . . . . . . . . . . . . A . 11 DVA C . . . . . . . . . rr_1kqe 1 . 1 . 197 . 1 1 11 . CA C 1.358 4.691 3.643 . . . 1.0 . . . . . . . . . . . . A . 11 DVA CA . . . . . . . . . rr_1kqe 1 . 1 . 198 . 1 1 11 . CB C 1.422 4.389 5.175 . . . 1.0 . . . . . . . . . . . . A . 11 DVA CB . . . . . . . . . rr_1kqe 1 . 1 . 199 . 1 1 11 . CG1 C 0.558 3.190 5.570 . . . 1.0 . . . . . . . . . . . . A . 11 DVA CG1 . . . . . . . . . rr_1kqe 1 . 1 . 200 . 1 1 11 . CG2 C 2.863 4.166 5.641 . . . 1.0 . . . . . . . . . . . . A . 11 DVA CG2 . . . . . . . . . rr_1kqe 1 . 1 . 201 . 1 1 11 . H H 1.975 2.876 2.726 . . . 1.0 . . . . . . . . . . . . A . 11 DVA H . . . . . . . . . rr_1kqe 1 . 1 . 202 . 1 1 11 . HA H 1.703 5.705 3.491 . . . 1.0 . . . . . . . . . . . . A . 11 DVA HA . . . . . . . . . rr_1kqe 1 . 1 . 203 . 1 1 11 . HB H 1.039 5.255 5.696 . . . 1.0 . . . . . . . . . . . . A . 11 DVA HB . . . . . . . . . rr_1kqe 1 . 1 . 204 . 1 1 11 . HG11 H 1.050 2.274 5.277 . . . 1.0 . . . . . . . . . . . . A . 11 DVA HG11 . . . . . . . . . rr_1kqe 1 . 1 . 205 . 1 1 11 . HG12 H -0.404 3.254 5.086 . . . 1.0 . . . . . . . . . . . . A . 11 DVA HG12 . . . . . . . . . rr_1kqe 1 . 1 . 206 . 1 1 11 . HG13 H 0.418 3.191 6.642 . . . 1.0 . . . . . . . . . . . . A . 11 DVA HG13 . . . . . . . . . rr_1kqe 1 . 1 . 207 . 1 1 11 . HG21 H 3.357 5.118 5.770 . . . 1.0 . . . . . . . . . . . . A . 11 DVA HG21 . . . . . . . . . rr_1kqe 1 . 1 . 208 . 1 1 11 . HG22 H 3.399 3.579 4.910 . . . 1.0 . . . . . . . . . . . . A . 11 DVA HG22 . . . . . . . . . rr_1kqe 1 . 1 . 209 . 1 1 11 . HG23 H 2.854 3.640 6.583 . . . 1.0 . . . . . . . . . . . . A . 11 DVA HG23 . . . . . . . . . rr_1kqe 1 . 1 . 210 . 1 1 11 . N N 2.233 3.812 2.870 . . . 1.0 . . . . . . . . . . . . A . 11 DVA N . . . . . . . . . rr_1kqe 1 . 1 . 211 . 1 1 11 . O O -0.614 3.542 2.888 . . . 1.0 . . . . . . . . . . . . A . 11 DVA O . . . . . . . . . rr_1kqe 1 . 1 . 212 . 1 1 12 ALA C C 3.378 4.257 2.362 . . . 1.0 . . . . . . . . . . . . A . 12 ALA C . . . . . . . . . rr_1kqe 1 . 1 . 213 . 1 1 12 ALA CA C 4.216 3.250 1.579 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CA . . . . . . . . . rr_1kqe 1 . 1 . 214 . 1 1 12 ALA CB C 5.508 3.899 1.102 . . . 1.0 . . . . . . . . . . . . A . 12 ALA CB . . . . . . . . . rr_1kqe 1 . 1 . 215 . 1 1 12 ALA H H 2.882 3.314 -0.065 . . . 1.0 . . . . . . . . . . . . A . 12 ALA H . . . . . . . . . rr_1kqe 1 . 1 . 216 . 1 1 12 ALA HA H 4.480 2.430 2.235 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HA . . . . . . . . . rr_1kqe 1 . 1 . 217 . 1 1 12 ALA HB1 H 6.324 3.582 1.733 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB1 . . . . . . . . . rr_1kqe 1 . 1 . 218 . 1 1 12 ALA HB2 H 5.410 4.974 1.149 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB2 . . . . . . . . . rr_1kqe 1 . 1 . 219 . 1 1 12 ALA HB3 H 5.704 3.599 0.083 . . . 1.0 . . . . . . . . . . . . A . 12 ALA HB3 . . . . . . . . . rr_1kqe 1 . 1 . 220 . 1 1 12 ALA N N 3.474 2.712 0.438 . . . 1.0 . . . . . . . . . . . . A . 12 ALA N . . . . . . . . . rr_1kqe 1 . 1 . 221 . 1 1 12 ALA O O 3.764 5.414 2.509 . . . 1.0 . . . . . . . . . . . . A . 12 ALA O . . . . . . . . . rr_1kqe 1 . 1 . 222 . 1 1 13 SIN C1 C 3.597 1.430 0.063 . . . 1.0 . . . . . . . . . . . . A . 13 SIN C1 . . . . . . . . . rr_1kqe 1 . 1 . 223 . 1 1 13 SIN C2 C 2.742 1.049 -1.165 . . . 1.0 . . . . . . . . . . . . A . 13 SIN C2 . . . . . . . . . rr_1kqe 1 . 1 . 224 . 1 1 13 SIN C3 C 2.040 -0.296 -0.891 . . . 1.0 . . . . . . . . . . . . A . 13 SIN C3 . . . . . . . . . rr_1kqe 1 . 1 . 225 . 1 1 13 SIN C4 C 0.783 -0.443 -1.783 . . . 1.0 . . . . . . . . . . . . A . 13 SIN C4 . . . . . . . . . rr_1kqe 1 . 1 . 226 . 1 1 13 SIN H21 H 2.008 1.807 -1.339 . . . 1.0 . . . . . . . . . . . . A . 13 SIN H21 . . . . . . . . . rr_1kqe 1 . 1 . 227 . 1 1 13 SIN H22 H 3.373 0.955 -2.024 . . . 1.0 . . . . . . . . . . . . A . 13 SIN H22 . . . . . . . . . rr_1kqe 1 . 1 . 228 . 1 1 13 SIN H31 H 2.717 -1.098 -1.099 . . . 1.0 . . . . . . . . . . . . A . 13 SIN H31 . . . . . . . . . rr_1kqe 1 . 1 . 229 . 1 1 13 SIN H32 H 1.749 -0.339 0.139 . . . 1.0 . . . . . . . . . . . . A . 13 SIN H32 . . . . . . . . . rr_1kqe 1 . 1 . 230 . 1 1 13 SIN O3 O 4.321 0.607 0.622 . . . 1.0 . . . . . . . . . . . . A . 13 SIN O3 . . . . . . . . . rr_1kqe 1 . 1 . 231 . 1 1 13 SIN O4 O 0.113 0.531 -2.133 . . . 1.0 . . . . . . . . . . . . A . 13 SIN O4 . . . . . . . . . rr_1kqe 1 . 1 . 232 . 1 1 14 ALA C C -1.347 -3.298 -2.376 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_1kqe 1 . 1 . 233 . 1 1 14 ALA CA C -0.650 -2.067 -2.938 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_1kqe 1 . 1 . 234 . 1 1 14 ALA CB C -0.218 -2.311 -4.376 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_1kqe 1 . 1 . 235 . 1 1 14 ALA H H 1.083 -2.437 -1.784 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_1kqe 1 . 1 . 236 . 1 1 14 ALA HA H -1.347 -1.240 -2.930 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_1kqe 1 . 1 . 237 . 1 1 14 ALA HB1 H -1.051 -2.130 -5.038 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_1kqe 1 . 1 . 238 . 1 1 14 ALA HB2 H 0.113 -3.333 -4.484 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_1kqe 1 . 1 . 239 . 1 1 14 ALA HB3 H 0.594 -1.642 -4.627 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_1kqe 1 . 1 . 240 . 1 1 14 ALA N N 0.504 -1.713 -2.111 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_1kqe 1 . 1 . 241 . 1 1 14 ALA O O -1.547 -4.290 -3.075 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_1kqe 1 . 1 . 242 . 1 1 15 . C C -1.747 -4.614 0.926 . . . 1.0 . . . . . . . . . . . . A . 15 DVA C . . . . . . . . . rr_1kqe 1 . 1 . 243 . 1 1 15 . CA C -2.391 -4.323 -0.425 . . . 1.0 . . . . . . . . . . . . A . 15 DVA CA . . . . . . . . . rr_1kqe 1 . 1 . 244 . 1 1 15 . CB C -3.916 -4.045 -0.242 . . . 1.0 . . . . . . . . . . . . A . 15 DVA CB . . . . . . . . . rr_1kqe 1 . 1 . 245 . 1 1 15 . CG1 C -4.207 -3.125 0.948 . . . 1.0 . . . . . . . . . . . . A . 15 DVA CG1 . . . . . . . . . rr_1kqe 1 . 1 . 246 . 1 1 15 . CG2 C -4.527 -3.457 -1.512 . . . 1.0 . . . . . . . . . . . . A . 15 DVA CG2 . . . . . . . . . rr_1kqe 1 . 1 . 247 . 1 1 15 . H H -1.523 -2.397 -0.603 . . . 1.0 . . . . . . . . . . . . A . 15 DVA H . . . . . . . . . rr_1kqe 1 . 1 . 248 . 1 1 15 . HA H -2.284 -5.207 -1.045 . . . 1.0 . . . . . . . . . . . . A . 15 DVA HA . . . . . . . . . rr_1kqe 1 . 1 . 249 . 1 1 15 . HB H -4.401 -4.992 -0.049 . . . 1.0 . . . . . . . . . . . . A . 15 DVA HB . . . . . . . . . rr_1kqe 1 . 1 . 250 . 1 1 15 . HG11 H -5.258 -3.178 1.189 . . . 1.0 . . . . . . . . . . . . A . 15 DVA HG11 . . . . . . . . . rr_1kqe 1 . 1 . 251 . 1 1 15 . HG12 H -3.954 -2.107 0.691 . . . 1.0 . . . . . . . . . . . . A . 15 DVA HG12 . . . . . . . . . rr_1kqe 1 . 1 . 252 . 1 1 15 . HG13 H -3.628 -3.435 1.804 . . . 1.0 . . . . . . . . . . . . A . 15 DVA HG13 . . . . . . . . . rr_1kqe 1 . 1 . 253 . 1 1 15 . HG21 H -3.776 -2.908 -2.062 . . . 1.0 . . . . . . . . . . . . A . 15 DVA HG21 . . . . . . . . . rr_1kqe 1 . 1 . 254 . 1 1 15 . HG22 H -5.331 -2.787 -1.244 . . . 1.0 . . . . . . . . . . . . A . 15 DVA HG22 . . . . . . . . . rr_1kqe 1 . 1 . 255 . 1 1 15 . HG23 H -4.918 -4.253 -2.131 . . . 1.0 . . . . . . . . . . . . A . 15 DVA HG23 . . . . . . . . . rr_1kqe 1 . 1 . 256 . 1 1 15 . N N -1.713 -3.220 -1.101 . . . 1.0 . . . . . . . . . . . . A . 15 DVA N . . . . . . . . . rr_1kqe 1 . 1 . 257 . 1 1 15 . O O -1.427 -3.700 1.686 . . . 1.0 . . . . . . . . . . . . A . 15 DVA O . . . . . . . . . rr_1kqe 1 . 1 . 258 . 1 1 16 VAL C C -0.247 -7.642 2.265 . . . 1.0 . . . . . . . . . . . . A . 16 VAL C . . . . . . . . . rr_1kqe 1 . 1 . 259 . 1 1 16 VAL CA C -0.984 -6.321 2.478 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CA . . . . . . . . . rr_1kqe 1 . 1 . 260 . 1 1 16 VAL CB C -2.092 -6.447 3.564 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CB . . . . . . . . . rr_1kqe 1 . 1 . 261 . 1 1 16 VAL CG1 C -1.763 -7.476 4.639 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CG1 . . . . . . . . . rr_1kqe 1 . 1 . 262 . 1 1 16 VAL CG2 C -2.352 -5.089 4.199 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CG2 . . . . . . . . . rr_1kqe 1 . 1 . 263 . 1 1 16 VAL H H -1.859 -6.580 0.576 . . . 1.0 . . . . . . . . . . . . A . 16 VAL H . . . . . . . . . rr_1kqe 1 . 1 . 264 . 1 1 16 VAL HA H -0.282 -5.563 2.792 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HA . . . . . . . . . rr_1kqe 1 . 1 . 265 . 1 1 16 VAL HB H -2.999 -6.763 3.074 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HB . . . . . . . . . rr_1kqe 1 . 1 . 266 . 1 1 16 VAL HG11 H -2.066 -7.099 5.603 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG11 . . . . . . . . . rr_1kqe 1 . 1 . 267 . 1 1 16 VAL HG12 H -0.702 -7.670 4.643 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG12 . . . . . . . . . rr_1kqe 1 . 1 . 268 . 1 1 16 VAL HG13 H -2.299 -8.391 4.425 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG13 . . . . . . . . . rr_1kqe 1 . 1 . 269 . 1 1 16 VAL HG21 H -3.195 -5.163 4.872 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG21 . . . . . . . . . rr_1kqe 1 . 1 . 270 . 1 1 16 VAL HG22 H -2.570 -4.366 3.428 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG22 . . . . . . . . . rr_1kqe 1 . 1 . 271 . 1 1 16 VAL HG23 H -1.478 -4.775 4.750 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG23 . . . . . . . . . rr_1kqe 1 . 1 . 272 . 1 1 16 VAL N N -1.573 -5.895 1.220 . . . 1.0 . . . . . . . . . . . . A . 16 VAL N . . . . . . . . . rr_1kqe 1 . 1 . 273 . 1 1 16 VAL O O -0.785 -8.717 2.526 . . . 1.0 . . . . . . . . . . . . A . 16 VAL O . . . . . . . . . rr_1kqe 1 . 1 . 274 . 1 1 17 . C C 2.160 -8.787 -0.021 . . . 1.0 . . . . . . . . . . . . A . 17 DVA C . . . . . . . . . rr_1kqe 1 . 1 . 275 . 1 1 17 . CA C 1.742 -8.758 1.450 . . . 1.0 . . . . . . . . . . . . A . 17 DVA CA . . . . . . . . . rr_1kqe 1 . 1 . 276 . 1 1 17 . CB C 2.980 -8.947 2.392 . . . 1.0 . . . . . . . . . . . . A . 17 DVA CB . . . . . . . . . rr_1kqe 1 . 1 . 277 . 1 1 17 . CG1 C 4.275 -8.413 1.784 . . . 1.0 . . . . . . . . . . . . A . 17 DVA CG1 . . . . . . . . . rr_1kqe 1 . 1 . 278 . 1 1 17 . CG2 C 2.739 -8.328 3.767 . . . 1.0 . . . . . . . . . . . . A . 17 DVA CG2 . . . . . . . . . rr_1kqe 1 . 1 . 279 . 1 1 17 . H H 1.337 -6.677 1.503 . . . 1.0 . . . . . . . . . . . . A . 17 DVA H . . . . . . . . . rr_1kqe 1 . 1 . 280 . 1 1 17 . HA H 1.089 -9.592 1.611 . . . 1.0 . . . . . . . . . . . . A . 17 DVA HA . . . . . . . . . rr_1kqe 1 . 1 . 281 . 1 1 17 . HB H 3.112 -10.010 2.537 . . . 1.0 . . . . . . . . . . . . A . 17 DVA HB . . . . . . . . . rr_1kqe 1 . 1 . 282 . 1 1 17 . HG11 H 4.038 -7.674 1.033 . . . 1.0 . . . . . . . . . . . . A . 17 DVA HG11 . . . . . . . . . rr_1kqe 1 . 1 . 283 . 1 1 17 . HG12 H 4.820 -9.234 1.324 . . . 1.0 . . . . . . . . . . . . A . 17 DVA HG12 . . . . . . . . . rr_1kqe 1 . 1 . 284 . 1 1 17 . HG13 H 4.880 -7.965 2.556 . . . 1.0 . . . . . . . . . . . . A . 17 DVA HG13 . . . . . . . . . rr_1kqe 1 . 1 . 285 . 1 1 17 . HG21 H 1.681 -8.173 3.922 . . . 1.0 . . . . . . . . . . . . A . 17 DVA HG21 . . . . . . . . . rr_1kqe 1 . 1 . 286 . 1 1 17 . HG22 H 3.257 -7.384 3.835 . . . 1.0 . . . . . . . . . . . . A . 17 DVA HG22 . . . . . . . . . rr_1kqe 1 . 1 . 287 . 1 1 17 . HG23 H 3.116 -8.996 4.529 . . . 1.0 . . . . . . . . . . . . A . 17 DVA HG23 . . . . . . . . . rr_1kqe 1 . 1 . 288 . 1 1 17 . N N 0.971 -7.559 1.739 . . . 1.0 . . . . . . . . . . . . A . 17 DVA N . . . . . . . . . rr_1kqe 1 . 1 . 289 . 1 1 17 . O O 1.660 -8.017 -0.835 . . . 1.0 . . . . . . . . . . . . A . 17 DVA O . . . . . . . . . rr_1kqe 1 . 1 . 290 . 1 1 18 TRP C C 2.887 -10.822 -2.483 . . . 1.0 . . . . . . . . . . . . A . 18 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 291 . 1 1 18 TRP CA C 3.647 -9.792 -1.656 . . . 1.0 . . . . . . . . . . . . A . 18 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 292 . 1 1 18 TRP CB C 5.084 -10.235 -1.516 . . . 1.0 . . . . . . . . . . . . A . 18 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 293 . 1 1 18 TRP CD1 C 6.295 -11.081 -3.613 . . . 1.0 . . . . . . . . . . . . A . 18 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 294 . 1 1 18 TRP CD2 C 6.333 -8.869 -3.342 . . . 1.0 . . . . . . . . . . . . A . 18 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 295 . 1 1 18 TRP CE2 C 7.038 -9.181 -4.517 . . . 1.0 . . . . . . . . . . . . A . 18 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 296 . 1 1 18 TRP CE3 C 6.210 -7.544 -2.959 . . . 1.0 . . . . . . . . . . . . A . 18 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 297 . 1 1 18 TRP CG C 5.878 -10.090 -2.775 . . . 1.0 . . . . . . . . . . . . A . 18 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 298 . 1 1 18 TRP CH2 C 7.485 -6.900 -4.918 . . . 1.0 . . . . . . . . . . . . A . 18 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 299 . 1 1 18 TRP CZ2 C 7.622 -8.203 -5.316 . . . 1.0 . . . . . . . . . . . . A . 18 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 300 . 1 1 18 TRP CZ3 C 6.786 -6.566 -3.748 . . . 1.0 . . . . . . . . . . . . A . 18 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 301 . 1 1 18 TRP H H 3.484 -10.205 0.377 . . . 1.0 . . . . . . . . . . . . A . 18 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 302 . 1 1 18 TRP HA H 3.632 -8.825 -2.137 . . . 1.0 . . . . . . . . . . . . A . 18 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 303 . 1 1 18 TRP HB2 H 5.556 -9.654 -0.738 . . . 1.0 . . . . . . . . . . . . A . 18 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 304 . 1 1 18 TRP HB3 H 5.089 -11.259 -1.228 . . . 1.0 . . . . . . . . . . . . A . 18 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 305 . 1 1 18 TRP HD1 H 6.096 -12.129 -3.459 . . . 1.0 . . . . . . . . . . . . A . 18 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 306 . 1 1 18 TRP HE1 H 7.418 -11.049 -5.391 . . . 1.0 . . . . . . . . . . . . A . 18 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 307 . 1 1 18 TRP HE3 H 5.673 -7.281 -2.060 . . . 1.0 . . . . . . . . . . . . A . 18 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 308 . 1 1 18 TRP HH2 H 7.920 -6.105 -5.505 . . . 1.0 . . . . . . . . . . . . A . 18 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 309 . 1 1 18 TRP HZ2 H 8.163 -8.445 -6.218 . . . 1.0 . . . . . . . . . . . . A . 18 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 310 . 1 1 18 TRP HZ3 H 6.696 -5.528 -3.470 . . . 1.0 . . . . . . . . . . . . A . 18 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 311 . 1 1 18 TRP N N 3.105 -9.656 -0.329 . . . 1.0 . . . . . . . . . . . . A . 18 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 312 . 1 1 18 TRP NE1 N 7.006 -10.542 -4.661 . . . 1.0 . . . . . . . . . . . . A . 18 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 313 . 1 1 18 TRP O O 3.441 -11.860 -2.845 . . . 1.0 . . . . . . . . . . . . A . 18 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 314 . 1 1 19 . C C -0.567 -11.592 -3.039 . . . 1.0 . . . . . . . . . . . . A . 19 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 315 . 1 1 19 . CA C 0.839 -11.447 -3.611 . . . 1.0 . . . . . . . . . . . . A . 19 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 316 . 1 1 19 . CB C 0.794 -10.945 -5.055 . . . 1.0 . . . . . . . . . . . . A . 19 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 317 . 1 1 19 . CD1 C 2.951 -11.365 -6.267 . . . 1.0 . . . . . . . . . . . . A . 19 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 318 . 1 1 19 . CD2 C 1.833 -9.138 -6.463 . . . 1.0 . . . . . . . . . . . . A . 19 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 319 . 1 1 19 . CG C 2.104 -10.324 -5.551 . . . 1.0 . . . . . . . . . . . . A . 19 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 320 . 1 1 19 . H H 1.254 -9.684 -2.510 . . . 1.0 . . . . . . . . . . . . A . 19 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 321 . 1 1 19 . HA H 1.330 -12.402 -3.593 . . . 1.0 . . . . . . . . . . . . A . 19 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 322 . 1 1 19 . HB2 H 0.016 -10.203 -5.135 . . . 1.0 . . . . . . . . . . . . A . 19 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 323 . 1 1 19 . HB3 H 0.547 -11.777 -5.697 . . . 1.0 . . . . . . . . . . . . A . 19 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 324 . 1 1 19 . HD11 H 3.791 -11.637 -5.644 . . . 1.0 . . . . . . . . . . . . A . 19 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 325 . 1 1 19 . HD12 H 3.313 -10.955 -7.199 . . . 1.0 . . . . . . . . . . . . A . 19 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 326 . 1 1 19 . HD13 H 2.352 -12.241 -6.469 . . . 1.0 . . . . . . . . . . . . A . 19 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 327 . 1 1 19 . HD21 H 1.313 -8.370 -5.910 . . . 1.0 . . . . . . . . . . . . A . 19 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 328 . 1 1 19 . HD22 H 1.226 -9.457 -7.297 . . . 1.0 . . . . . . . . . . . . A . 19 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 329 . 1 1 19 . HD23 H 2.770 -8.745 -6.828 . . . 1.0 . . . . . . . . . . . . A . 19 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 330 . 1 1 19 . HG H 2.669 -9.968 -4.702 . . . 1.0 . . . . . . . . . . . . A . 19 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 331 . 1 1 19 . N N 1.639 -10.533 -2.802 . . . 1.0 . . . . . . . . . . . . A . 19 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 332 . 1 1 19 . O O -1.231 -10.614 -2.775 . . . 1.0 . . . . . . . . . . . . A . 19 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 333 . 1 1 20 TRP C C -2.438 -14.323 -1.524 . . . 1.0 . . . . . . . . . . . . A . 20 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 334 . 1 1 20 TRP CA C -2.353 -12.990 -2.257 . . . 1.0 . . . . . . . . . . . . A . 20 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 335 . 1 1 20 TRP CB C -3.429 -12.872 -3.328 . . . 1.0 . . . . . . . . . . . . A . 20 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 336 . 1 1 20 TRP CD1 C -5.465 -12.810 -1.820 . . . 1.0 . . . . . . . . . . . . A . 20 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 337 . 1 1 20 TRP CD2 C -5.286 -11.022 -3.135 . . . 1.0 . . . . . . . . . . . . A . 20 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 338 . 1 1 20 TRP CE2 C -6.458 -10.893 -2.366 . . . 1.0 . . . . . . . . . . . . A . 20 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 339 . 1 1 20 TRP CE3 C -4.958 -10.010 -4.032 . . . 1.0 . . . . . . . . . . . . A . 20 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 340 . 1 1 20 TRP CG C -4.686 -12.272 -2.784 . . . 1.0 . . . . . . . . . . . . A . 20 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 341 . 1 1 20 TRP CH2 C -6.953 -8.811 -3.360 . . . 1.0 . . . . . . . . . . . . A . 20 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 342 . 1 1 20 TRP CZ2 C -7.301 -9.790 -2.471 . . . 1.0 . . . . . . . . . . . . A . 20 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 343 . 1 1 20 TRP CZ3 C -5.791 -8.913 -4.135 . . . 1.0 . . . . . . . . . . . . A . 20 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 344 . 1 1 20 TRP H H -0.479 -13.591 -3.050 . . . 1.0 . . . . . . . . . . . . A . 20 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 345 . 1 1 20 TRP HA H -2.502 -12.196 -1.537 . . . 1.0 . . . . . . . . . . . . A . 20 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 346 . 1 1 20 TRP HB2 H -3.069 -12.240 -4.128 . . . 1.0 . . . . . . . . . . . . A . 20 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 347 . 1 1 20 TRP HB3 H -3.661 -13.854 -3.720 . . . 1.0 . . . . . . . . . . . . A . 20 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 348 . 1 1 20 TRP HD1 H -5.251 -13.743 -1.344 . . . 1.0 . . . . . . . . . . . . A . 20 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 349 . 1 1 20 TRP HE1 H -7.262 -12.188 -0.927 . . . 1.0 . . . . . . . . . . . . A . 20 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 350 . 1 1 20 TRP HE3 H -4.063 -10.067 -4.623 . . . 1.0 . . . . . . . . . . . . A . 20 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 351 . 1 1 20 TRP HH2 H -7.576 -7.936 -3.473 . . . 1.0 . . . . . . . . . . . . A . 20 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 352 . 1 1 20 TRP HZ2 H -8.200 -9.699 -1.880 . . . 1.0 . . . . . . . . . . . . A . 20 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 353 . 1 1 20 TRP HZ3 H -5.551 -8.118 -4.827 . . . 1.0 . . . . . . . . . . . . A . 20 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 354 . 1 1 20 TRP N N -1.028 -12.808 -2.829 . . . 1.0 . . . . . . . . . . . . A . 20 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 355 . 1 1 20 TRP NE1 N -6.548 -12.002 -1.571 . . . 1.0 . . . . . . . . . . . . A . 20 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 356 . 1 1 20 TRP O O -2.334 -15.380 -2.131 . . . 1.0 . . . . . . . . . . . . A . 20 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 357 . 1 1 21 . C C -1.160 -15.754 1.044 . . . 1.0 . . . . . . . . . . . . A . 21 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 358 . 1 1 21 . CA C -2.584 -15.461 0.630 . . . 1.0 . . . . . . . . . . . . A . 21 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 359 . 1 1 21 . CB C -3.441 -15.284 1.886 . . . 1.0 . . . . . . . . . . . . A . 21 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 360 . 1 1 21 . CD1 C -5.597 -14.685 3.046 . . . 1.0 . . . . . . . . . . . . A . 21 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 361 . 1 1 21 . CD2 C -5.746 -15.699 0.759 . . . 1.0 . . . . . . . . . . . . A . 21 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 362 . 1 1 21 . CG C -4.907 -14.802 1.691 . . . 1.0 . . . . . . . . . . . . A . 21 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 363 . 1 1 21 . H H -2.584 -13.376 0.233 . . . 1.0 . . . . . . . . . . . . A . 21 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 364 . 1 1 21 . HA H -2.943 -16.291 0.044 . . . 1.0 . . . . . . . . . . . . A . 21 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 365 . 1 1 21 . HB2 H -2.932 -14.560 2.501 . . . 1.0 . . . . . . . . . . . . A . 21 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 366 . 1 1 21 . HB3 H -3.444 -16.221 2.428 . . . 1.0 . . . . . . . . . . . . A . 21 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 367 . 1 1 21 . HD11 H -5.565 -13.659 3.381 . . . 1.0 . . . . . . . . . . . . A . 21 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 368 . 1 1 21 . HD12 H -5.092 -15.312 3.767 . . . 1.0 . . . . . . . . . . . . A . 21 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 369 . 1 1 21 . HD13 H -6.625 -15.001 2.956 . . . 1.0 . . . . . . . . . . . . A . 21 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 370 . 1 1 21 . HD21 H -5.365 -15.651 -0.250 . . . 1.0 . . . . . . . . . . . . A . 21 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 371 . 1 1 21 . HD22 H -6.768 -15.345 0.759 . . . 1.0 . . . . . . . . . . . . A . 21 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 372 . 1 1 21 . HD23 H -5.735 -16.725 1.105 . . . 1.0 . . . . . . . . . . . . A . 21 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 373 . 1 1 21 . HG H -4.886 -13.814 1.254 . . . 1.0 . . . . . . . . . . . . A . 21 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 374 . 1 1 21 . N N -2.561 -14.256 -0.200 . . . 1.0 . . . . . . . . . . . . A . 21 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 375 . 1 1 21 . O O -0.467 -14.893 1.575 . . . 1.0 . . . . . . . . . . . . A . 21 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 376 . 1 1 22 TRP C C 1.084 -18.537 0.322 . . . 1.0 . . . . . . . . . . . . A . 22 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 377 . 1 1 22 TRP CA C 0.650 -17.319 1.105 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 378 . 1 1 22 TRP CB C 0.806 -17.553 2.581 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 379 . 1 1 22 TRP CD1 C 3.236 -17.987 3.226 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 380 . 1 1 22 TRP CD2 C 2.573 -15.875 3.474 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 381 . 1 1 22 TRP CE2 C 3.915 -15.962 3.877 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 382 . 1 1 22 TRP CE3 C 1.925 -14.650 3.530 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 383 . 1 1 22 TRP CG C 2.158 -17.174 3.079 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 384 . 1 1 22 TRP CH2 C 3.965 -13.655 4.379 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 385 . 1 1 22 TRP CZ2 C 4.626 -14.854 4.333 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 386 . 1 1 22 TRP CZ3 C 2.624 -13.546 3.981 . . . 1.0 . . . . . . . . . . . . A . 22 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 387 . 1 1 22 TRP H H -1.306 -17.603 0.338 . . . 1.0 . . . . . . . . . . . . A . 22 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 388 . 1 1 22 TRP HA H 1.281 -16.491 0.818 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 389 . 1 1 22 TRP HB2 H 0.071 -16.967 3.114 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 390 . 1 1 22 TRP HB3 H 0.653 -18.586 2.775 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 391 . 1 1 22 TRP HD1 H 3.232 -19.038 2.993 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 392 . 1 1 22 TRP HE1 H 5.191 -17.630 3.917 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 393 . 1 1 22 TRP HE3 H 0.895 -14.560 3.219 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 394 . 1 1 22 TRP HH2 H 4.474 -12.767 4.726 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 395 . 1 1 22 TRP HZ2 H 5.658 -14.924 4.643 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 396 . 1 1 22 TRP HZ3 H 2.137 -12.583 4.032 . . . 1.0 . . . . . . . . . . . . A . 22 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 397 . 1 1 22 TRP N N -0.714 -16.955 0.777 . . . 1.0 . . . . . . . . . . . . A . 22 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 398 . 1 1 22 TRP NE1 N 4.302 -17.269 3.718 . . . 1.0 . . . . . . . . . . . . A . 22 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 399 . 1 1 22 TRP O O 0.725 -19.670 0.626 . . . 1.0 . . . . . . . . . . . . A . 22 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 400 . 1 1 23 . C C 1.519 -19.211 -2.896 . . . 1.0 . . . . . . . . . . . . A . 23 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 401 . 1 1 23 . CA C 2.335 -19.282 -1.610 . . . 1.0 . . . . . . . . . . . . A . 23 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 402 . 1 1 23 . CB C 3.826 -19.069 -1.892 . . . 1.0 . . . . . . . . . . . . A . 23 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 403 . 1 1 23 . CD1 C 5.917 -18.093 -0.914 . . . 1.0 . . . . . . . . . . . . A . 23 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 404 . 1 1 23 . CD2 C 5.172 -20.374 -0.212 . . . 1.0 . . . . . . . . . . . . A . 23 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 405 . 1 1 23 . CG C 4.717 -18.988 -0.648 . . . 1.0 . . . . . . . . . . . . A . 23 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 406 . 1 1 23 . H H 2.063 -17.330 -0.871 . . . 1.0 . . . . . . . . . . . . A . 23 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 407 . 1 1 23 . HA H 2.183 -20.247 -1.150 . . . 1.0 . . . . . . . . . . . . A . 23 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 408 . 1 1 23 . HB2 H 3.936 -18.145 -2.442 . . . 1.0 . . . . . . . . . . . . A . 23 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 409 . 1 1 23 . HB3 H 4.177 -19.882 -2.510 . . . 1.0 . . . . . . . . . . . . A . 23 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 410 . 1 1 23 . HD11 H 5.614 -17.058 -0.862 . . . 1.0 . . . . . . . . . . . . A . 23 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 411 . 1 1 23 . HD12 H 6.311 -18.303 -1.897 . . . 1.0 . . . . . . . . . . . . A . 23 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 412 . 1 1 23 . HD13 H 6.680 -18.281 -0.173 . . . 1.0 . . . . . . . . . . . . A . 23 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 413 . 1 1 23 . HD21 H 6.163 -20.307 0.214 . . . 1.0 . . . . . . . . . . . . A . 23 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 414 . 1 1 23 . HD22 H 5.193 -21.033 -1.067 . . . 1.0 . . . . . . . . . . . . A . 23 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 415 . 1 1 23 . HD23 H 4.488 -20.763 0.529 . . . 1.0 . . . . . . . . . . . . A . 23 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 416 . 1 1 23 . HG H 4.152 -18.553 0.163 . . . 1.0 . . . . . . . . . . . . A . 23 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 417 . 1 1 23 . N N 1.843 -18.264 -0.705 . . . 1.0 . . . . . . . . . . . . A . 23 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 418 . 1 1 23 . O O 0.576 -18.429 -2.978 . . . 1.0 . . . . . . . . . . . . A . 23 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 419 . 1 1 24 TRP C C -0.051 -21.001 -5.070 . . . 1.0 . . . . . . . . . . . . A . 24 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 420 . 1 1 24 TRP CA C 1.105 -20.005 -5.141 . . . 1.0 . . . . . . . . . . . . A . 24 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 421 . 1 1 24 TRP CB C 2.019 -20.323 -6.329 . . . 1.0 . . . . . . . . . . . . A . 24 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 422 . 1 1 24 TRP CD1 C 4.379 -20.261 -5.344 . . . 1.0 . . . . . . . . . . . . A . 24 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 423 . 1 1 24 TRP CD2 C 3.989 -18.672 -6.868 . . . 1.0 . . . . . . . . . . . . A . 24 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 424 . 1 1 24 TRP CE2 C 5.316 -18.543 -6.413 . . . 1.0 . . . . . . . . . . . . A . 24 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 425 . 1 1 24 TRP CE3 C 3.519 -17.776 -7.831 . . . 1.0 . . . . . . . . . . . . A . 24 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 426 . 1 1 24 TRP CG C 3.411 -19.786 -6.176 . . . 1.0 . . . . . . . . . . . . A . 24 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 427 . 1 1 24 TRP CH2 C 5.687 -16.693 -7.831 . . . 1.0 . . . . . . . . . . . . A . 24 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 428 . 1 1 24 TRP CZ2 C 6.175 -17.556 -6.888 . . . 1.0 . . . . . . . . . . . . A . 24 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 429 . 1 1 24 TRP CZ3 C 4.371 -16.796 -8.302 . . . 1.0 . . . . . . . . . . . . A . 24 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 430 . 1 1 24 TRP H H 2.605 -20.633 -3.776 . . . 1.0 . . . . . . . . . . . . A . 24 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 431 . 1 1 24 TRP HA H 0.699 -19.011 -5.272 . . . 1.0 . . . . . . . . . . . . A . 24 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 432 . 1 1 24 TRP HB2 H 2.086 -21.394 -6.446 . . . 1.0 . . . . . . . . . . . . A . 24 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 433 . 1 1 24 TRP HB3 H 1.593 -19.895 -7.223 . . . 1.0 . . . . . . . . . . . . A . 24 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 434 . 1 1 24 TRP HD1 H 4.242 -21.095 -4.679 . . . 1.0 . . . . . . . . . . . . A . 24 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 435 . 1 1 24 TRP HE1 H 6.365 -19.679 -4.996 . . . 1.0 . . . . . . . . . . . . A . 24 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 436 . 1 1 24 TRP HE3 H 2.506 -17.838 -8.202 . . . 1.0 . . . . . . . . . . . . A . 24 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 437 . 1 1 24 TRP HH2 H 6.317 -15.911 -8.226 . . . 1.0 . . . . . . . . . . . . A . 24 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 438 . 1 1 24 TRP HZ2 H 7.192 -17.465 -6.536 . . . 1.0 . . . . . . . . . . . . A . 24 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 439 . 1 1 24 TRP HZ3 H 4.025 -16.093 -9.046 . . . 1.0 . . . . . . . . . . . . A . 24 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 440 . 1 1 24 TRP N N 1.855 -20.018 -3.888 . . . 1.0 . . . . . . . . . . . . A . 24 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 441 . 1 1 24 TRP NE1 N 5.528 -19.525 -5.483 . . . 1.0 . . . . . . . . . . . . A . 24 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 442 . 1 1 24 TRP O O -0.770 -21.033 -4.063 . . . 1.0 . . . . . . . . . . . . A . 24 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 443 . 1 1 25 ETA CA C -1.699 -22.174 -6.391 . . . 1.0 . . . . . . . . . . . . A . 25 ETA CA . . . . . . . . . rr_1kqe 1 . 1 . 444 . 1 1 25 ETA CB C -2.948 -21.279 -6.267 . . . 1.0 . . . . . . . . . . . . A . 25 ETA CB . . . . . . . . . rr_1kqe 1 . 1 . 445 . 1 1 25 ETA HA1 H -1.697 -22.909 -5.585 . . . 1.0 . . . . . . . . . . . . A . 25 ETA HA1 . . . . . . . . . rr_1kqe 1 . 1 . 446 . 1 1 25 ETA HA2 H -1.711 -22.688 -7.352 . . . 1.0 . . . . . . . . . . . . A . 25 ETA HA2 . . . . . . . . . rr_1kqe 1 . 1 . 447 . 1 1 25 ETA HB1 H -3.842 -21.891 -6.371 . . . 1.0 . . . . . . . . . . . . A . 25 ETA HB1 . . . . . . . . . rr_1kqe 1 . 1 . 448 . 1 1 25 ETA HB2 H -2.954 -20.788 -5.291 . . . 1.0 . . . . . . . . . . . . A . 25 ETA HB2 . . . . . . . . . rr_1kqe 1 . 1 . 449 . 1 1 25 ETA HN1 H -0.013 -20.902 -7.104 . . . 1.0 . . . . . . . . . . . . A . 25 ETA HN1 . . . . . . . . . rr_1kqe 1 . 1 . 450 . 1 1 25 ETA HO H -2.439 -20.623 -8.053 . . . 1.0 . . . . . . . . . . . . A . 25 ETA HO . . . . . . . . . rr_1kqe 1 . 1 . 451 . 1 1 25 ETA N N -0.481 -21.331 -6.294 . . . 1.0 . . . . . . . . . . . . A . 25 ETA N . . . . . . . . . rr_1kqe 1 . 1 . 452 . 1 1 25 ETA O O -2.928 -20.289 -7.297 . . . 1.0 . . . . . . . . . . . . A . 25 ETA O . . . . . . . . . rr_1kqe 1 . 1 . 453 . 2 1 1 ETA CA C -2.905 23.069 0.614 . . . 1.0 . . . . . . . . . . . . B . 26 ETA CA . . . . . . . . . rr_1kqe 1 . 1 . 454 . 2 1 1 ETA CB C -3.565 22.624 -0.701 . . . 1.0 . . . . . . . . . . . . B . 26 ETA CB . . . . . . . . . rr_1kqe 1 . 1 . 455 . 2 1 1 ETA HA1 H -3.488 23.875 1.055 . . . 1.0 . . . . . . . . . . . . B . 26 ETA HA1 . . . . . . . . . rr_1kqe 1 . 1 . 456 . 2 1 1 ETA HA2 H -1.892 23.418 0.414 . . . 1.0 . . . . . . . . . . . . B . 26 ETA HA2 . . . . . . . . . rr_1kqe 1 . 1 . 457 . 2 1 1 ETA HB1 H -2.799 22.478 -1.462 . . . 1.0 . . . . . . . . . . . . B . 26 ETA HB1 . . . . . . . . . rr_1kqe 1 . 1 . 458 . 2 1 1 ETA HB2 H -4.100 21.691 -0.539 . . . 1.0 . . . . . . . . . . . . B . 26 ETA HB2 . . . . . . . . . rr_1kqe 1 . 1 . 459 . 2 1 1 ETA HN1 H -2.114 21.208 1.562 . . . 1.0 . . . . . . . . . . . . B . 26 ETA HN1 . . . . . . . . . rr_1kqe 1 . 1 . 460 . 2 1 1 ETA HO H -4.776 23.430 -2.029 . . . 1.0 . . . . . . . . . . . . B . 26 ETA HO . . . . . . . . . rr_1kqe 1 . 1 . 461 . 2 1 1 ETA N N -2.856 21.922 1.559 . . . 1.0 . . . . . . . . . . . . B . 26 ETA N . . . . . . . . . rr_1kqe 1 . 1 . 462 . 2 1 1 ETA O O -4.484 23.629 -1.136 . . . 1.0 . . . . . . . . . . . . B . 26 ETA O . . . . . . . . . rr_1kqe 1 . 1 . 463 . 2 1 2 TRP C C -3.841 21.811 2.460 . . . 1.0 . . . . . . . . . . . . B . 27 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 464 . 2 1 2 TRP CA C -3.675 20.597 3.367 . . . 1.0 . . . . . . . . . . . . B . 27 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 465 . 2 1 2 TRP CB C -4.603 20.731 4.574 . . . 1.0 . . . . . . . . . . . . B . 27 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 466 . 2 1 2 TRP CD1 C -3.084 20.304 6.586 . . . 1.0 . . . . . . . . . . . . B . 27 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 467 . 2 1 2 TRP CD2 C -4.723 18.804 6.347 . . . 1.0 . . . . . . . . . . . . B . 27 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 468 . 2 1 2 TRP CE2 C -3.980 18.474 7.495 . . . 1.0 . . . . . . . . . . . . B . 27 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 469 . 2 1 2 TRP CE3 C -5.805 17.999 5.989 . . . 1.0 . . . . . . . . . . . . B . 27 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 470 . 2 1 2 TRP CG C -4.142 19.986 5.790 . . . 1.0 . . . . . . . . . . . . B . 27 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 471 . 2 1 2 TRP CH2 C -5.355 16.603 7.917 . . . 1.0 . . . . . . . . . . . . B . 27 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 472 . 2 1 2 TRP CZ2 C -4.288 17.373 8.289 . . . 1.0 . . . . . . . . . . . . B . 27 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 473 . 2 1 2 TRP CZ3 C -6.110 16.905 6.776 . . . 1.0 . . . . . . . . . . . . B . 27 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 474 . 2 1 2 TRP H H -1.694 21.216 3.793 . . . 1.0 . . . . . . . . . . . . B . 27 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 475 . 2 1 2 TRP HA H -3.952 19.711 2.818 . . . 1.0 . . . . . . . . . . . . B . 27 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 476 . 2 1 2 TRP HB2 H -4.686 21.775 4.838 . . . 1.0 . . . . . . . . . . . . B . 27 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 477 . 2 1 2 TRP HB3 H -5.580 20.357 4.306 . . . 1.0 . . . . . . . . . . . . B . 27 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 478 . 2 1 2 TRP HD1 H -2.431 21.142 6.415 . . . 1.0 . . . . . . . . . . . . B . 27 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 479 . 2 1 2 TRP HE1 H -2.310 19.428 8.331 . . . 1.0 . . . . . . . . . . . . B . 27 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 480 . 2 1 2 TRP HE3 H -6.390 18.212 5.108 . . . 1.0 . . . . . . . . . . . . B . 27 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 481 . 2 1 2 TRP HH2 H -5.629 15.737 8.502 . . . 1.0 . . . . . . . . . . . . B . 27 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 482 . 2 1 2 TRP HZ2 H -3.716 17.126 9.172 . . . 1.0 . . . . . . . . . . . . B . 27 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 483 . 2 1 2 TRP HZ3 H -6.945 16.271 6.516 . . . 1.0 . . . . . . . . . . . . B . 27 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 484 . 2 1 2 TRP N N -2.289 20.438 3.793 . . . 1.0 . . . . . . . . . . . . B . 27 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 485 . 2 1 2 TRP NE1 N -2.983 19.406 7.621 . . . 1.0 . . . . . . . . . . . . B . 27 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 486 . 2 1 2 TRP O O -4.796 22.588 2.575 . . . 1.0 . . . . . . . . . . . . B . 27 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 487 . 2 1 3 . C C -1.826 19.259 4.186 . . . 1.0 . . . . . . . . . . . . B . 28 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 488 . 2 1 3 . CA C -0.364 19.202 4.616 . . . 1.0 . . . . . . . . . . . . B . 28 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 489 . 2 1 3 . CB C -0.273 18.772 6.083 . . . 1.0 . . . . . . . . . . . . B . 28 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 490 . 2 1 3 . CD1 C 1.196 17.409 7.592 . . . 1.0 . . . . . . . . . . . . B . 28 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 491 . 2 1 3 . CD2 C 1.655 19.848 7.276 . . . 1.0 . . . . . . . . . . . . B . 28 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 492 . 2 1 3 . CG C 1.149 18.575 6.614 . . . 1.0 . . . . . . . . . . . . B . 28 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 493 . 2 1 3 . H H 0.279 17.315 3.885 . . . 1.0 . . . . . . . . . . . . B . 28 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 494 . 2 1 3 . HA H 0.070 20.185 4.510 . . . 1.0 . . . . . . . . . . . . B . 28 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 495 . 2 1 3 . HB2 H -0.805 17.838 6.196 . . . 1.0 . . . . . . . . . . . . B . 28 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 496 . 2 1 3 . HB3 H -0.761 19.522 6.688 . . . 1.0 . . . . . . . . . . . . B . 28 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 497 . 2 1 3 . HD11 H 1.374 17.783 8.589 . . . 1.0 . . . . . . . . . . . . B . 28 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 498 . 2 1 3 . HD12 H 1.992 16.736 7.312 . . . 1.0 . . . . . . . . . . . . B . 28 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 499 . 2 1 3 . HD13 H 0.254 16.882 7.568 . . . 1.0 . . . . . . . . . . . . B . 28 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 500 . 2 1 3 . HD21 H 0.815 20.458 7.571 . . . 1.0 . . . . . . . . . . . . B . 28 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 501 . 2 1 3 . HD22 H 2.272 20.395 6.578 . . . 1.0 . . . . . . . . . . . . B . 28 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 502 . 2 1 3 . HD23 H 2.239 19.591 8.148 . . . 1.0 . . . . . . . . . . . . B . 28 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 503 . 2 1 3 . HG H 1.807 18.343 5.789 . . . 1.0 . . . . . . . . . . . . B . 28 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 504 . 2 1 3 . N N 0.397 18.280 3.780 . . . 1.0 . . . . . . . . . . . . B . 28 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 505 . 2 1 3 . O O -2.528 18.254 4.216 . . . 1.0 . . . . . . . . . . . . B . 28 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 506 . 2 1 4 TRP C C 1.268 18.693 2.892 . . . 1.0 . . . . . . . . . . . . B . 29 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 507 . 2 1 4 TRP CA C 1.977 17.580 2.146 . . . 1.0 . . . . . . . . . . . . B . 29 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 508 . 2 1 4 TRP CB C 3.458 17.859 2.105 . . . 1.0 . . . . . . . . . . . . B . 29 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 509 . 2 1 4 TRP CD1 C 4.503 17.974 4.448 . . . 1.0 . . . . . . . . . . . . B . 29 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 510 . 2 1 4 TRP CD2 C 4.693 15.999 3.435 . . . 1.0 . . . . . . . . . . . . B . 29 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 511 . 2 1 4 TRP CE2 C 5.320 15.912 4.688 . . . 1.0 . . . . . . . . . . . . B . 29 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 512 . 2 1 4 TRP CE3 C 4.674 14.886 2.609 . . . 1.0 . . . . . . . . . . . . B . 29 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 513 . 2 1 4 TRP CG C 4.191 17.320 3.293 . . . 1.0 . . . . . . . . . . . . B . 29 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 514 . 2 1 4 TRP CH2 C 5.895 13.656 4.301 . . . 1.0 . . . . . . . . . . . . B . 29 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 515 . 2 1 4 TRP CZ2 C 5.928 14.742 5.134 . . . 1.0 . . . . . . . . . . . . B . 29 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 516 . 2 1 4 TRP CZ3 C 5.273 13.720 3.046 . . . 1.0 . . . . . . . . . . . . B . 29 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 517 . 2 1 4 TRP H H 0.950 18.095 0.366 . . . 1.0 . . . . . . . . . . . . B . 29 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 518 . 2 1 4 TRP HA H 1.821 16.659 2.684 . . . 1.0 . . . . . . . . . . . . B . 29 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 519 . 2 1 4 TRP HB2 H 3.880 17.410 1.218 . . . 1.0 . . . . . . . . . . . . B . 29 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 520 . 2 1 4 TRP HB3 H 3.599 18.913 2.070 . . . 1.0 . . . . . . . . . . . . B . 29 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 521 . 2 1 4 TRP HD1 H 4.246 18.998 4.652 . . . 1.0 . . . . . . . . . . . . B . 29 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 522 . 2 1 4 TRP HE1 H 5.534 17.374 6.179 . . . 1.0 . . . . . . . . . . . . B . 29 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 523 . 2 1 4 TRP HE3 H 4.187 14.928 1.647 . . . 1.0 . . . . . . . . . . . . B . 29 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 524 . 2 1 4 TRP HH2 H 6.353 12.726 4.605 . . . 1.0 . . . . . . . . . . . . B . 29 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 525 . 2 1 4 TRP HZ2 H 6.411 14.679 6.099 . . . 1.0 . . . . . . . . . . . . B . 29 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 526 . 2 1 4 TRP HZ3 H 5.269 12.843 2.416 . . . 1.0 . . . . . . . . . . . . B . 29 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 527 . 2 1 4 TRP N N 1.459 17.387 0.806 . . . 1.0 . . . . . . . . . . . . B . 29 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 528 . 2 1 4 TRP NE1 N 5.192 17.136 5.292 . . . 1.0 . . . . . . . . . . . . B . 29 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 529 . 2 1 4 TRP O O 1.523 19.878 2.688 . . . 1.0 . . . . . . . . . . . . B . 29 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 530 . 2 1 5 . C C 1.664 16.249 0.181 . . . 1.0 . . . . . . . . . . . . B . 30 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 531 . 2 1 5 . CA C 1.076 16.113 -1.207 . . . 1.0 . . . . . . . . . . . . B . 30 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 532 . 2 1 5 . CB C 2.216 16.049 -2.224 . . . 1.0 . . . . . . . . . . . . B . 30 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 533 . 2 1 5 . CD1 C 3.085 15.743 -4.568 . . . 1.0 . . . . . . . . . . . . B . 30 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 534 . 2 1 5 . CD2 C 0.732 16.585 -4.277 . . . 1.0 . . . . . . . . . . . . B . 30 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 535 . 2 1 5 . CG C 1.840 15.691 -3.687 . . . 1.0 . . . . . . . . . . . . B . 30 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 536 . 2 1 5 . H H 0.707 14.037 -1.161 . . . 1.0 . . . . . . . . . . . . B . 30 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 537 . 2 1 5 . HA H 0.447 16.964 -1.402 . . . 1.0 . . . . . . . . . . . . B . 30 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 538 . 2 1 5 . HB2 H 2.902 15.299 -1.866 . . . 1.0 . . . . . . . . . . . . B . 30 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 539 . 2 1 5 . HB3 H 2.739 16.996 -2.212 . . . 1.0 . . . . . . . . . . . . B . 30 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 540 . 2 1 5 . HD11 H 2.845 16.218 -5.508 . . . 1.0 . . . . . . . . . . . . B . 30 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 541 . 2 1 5 . HD12 H 3.436 14.739 -4.755 . . . 1.0 . . . . . . . . . . . . B . 30 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 542 . 2 1 5 . HD13 H 3.860 16.306 -4.070 . . . 1.0 . . . . . . . . . . . . B . 30 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 543 . 2 1 5 . HD21 H 0.684 16.427 -5.346 . . . 1.0 . . . . . . . . . . . . B . 30 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 544 . 2 1 5 . HD22 H 0.940 17.628 -4.087 . . . 1.0 . . . . . . . . . . . . B . 30 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 545 . 2 1 5 . HD23 H -0.221 16.322 -3.845 . . . 1.0 . . . . . . . . . . . . B . 30 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 546 . 2 1 5 . HG H 1.476 14.675 -3.705 . . . 1.0 . . . . . . . . . . . . B . 30 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 547 . 2 1 5 . N N 0.263 14.906 -1.223 . . . 1.0 . . . . . . . . . . . . B . 30 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 548 . 2 1 5 . O O 2.287 15.321 0.688 . . . 1.0 . . . . . . . . . . . . B . 30 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 549 . 2 1 6 TRP C C -1.059 14.938 -1.265 . . . 1.0 . . . . . . . . . . . . B . 31 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 550 . 2 1 6 TRP CA C -1.733 13.582 -1.207 . . . 1.0 . . . . . . . . . . . . B . 31 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 551 . 2 1 6 TRP CB C -2.957 13.530 -2.114 . . . 1.0 . . . . . . . . . . . . B . 31 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 552 . 2 1 6 TRP CD1 C -1.782 13.730 -4.351 . . . 1.0 . . . . . . . . . . . . B . 31 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 553 . 2 1 6 TRP CD2 C -2.990 11.869 -4.149 . . . 1.0 . . . . . . . . . . . . B . 31 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 554 . 2 1 6 TRP CE2 C -2.402 11.879 -5.428 . . . 1.0 . . . . . . . . . . . . B . 31 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 555 . 2 1 6 TRP CE3 C -3.790 10.788 -3.787 . . . 1.0 . . . . . . . . . . . . B . 31 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 556 . 2 1 6 TRP CG C -2.596 13.076 -3.491 . . . 1.0 . . . . . . . . . . . . B . 31 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 557 . 2 1 6 TRP CH2 C -3.383 9.800 -5.963 . . . 1.0 . . . . . . . . . . . . B . 31 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 558 . 2 1 6 TRP CZ2 C -2.593 10.850 -6.345 . . . 1.0 . . . . . . . . . . . . B . 31 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 559 . 2 1 6 TRP CZ3 C -3.978 9.762 -4.696 . . . 1.0 . . . . . . . . . . . . B . 31 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 560 . 2 1 6 TRP H H -2.142 13.961 0.842 . . . 1.0 . . . . . . . . . . . . B . 31 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 561 . 2 1 6 TRP HA H -1.028 12.838 -1.549 . . . 1.0 . . . . . . . . . . . . B . 31 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 562 . 2 1 6 TRP HB2 H -3.675 12.836 -1.706 . . . 1.0 . . . . . . . . . . . . B . 31 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 563 . 2 1 6 TRP HB3 H -3.402 14.516 -2.184 . . . 1.0 . . . . . . . . . . . . B . 31 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 564 . 2 1 6 TRP HD1 H -1.313 14.665 -4.124 . . . 1.0 . . . . . . . . . . . . B . 31 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 565 . 2 1 6 TRP HE1 H -1.148 13.311 -6.310 . . . 1.0 . . . . . . . . . . . . B . 31 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 566 . 2 1 6 TRP HE3 H -4.246 10.740 -2.815 . . . 1.0 . . . . . . . . . . . . B . 31 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 567 . 2 1 6 TRP HH2 H -3.557 8.978 -6.641 . . . 1.0 . . . . . . . . . . . . B . 31 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 568 . 2 1 6 TRP HZ2 H -2.140 10.866 -7.325 . . . 1.0 . . . . . . . . . . . . B . 31 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 569 . 2 1 6 TRP HZ3 H -4.595 8.916 -4.431 . . . 1.0 . . . . . . . . . . . . B . 31 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 570 . 2 1 6 TRP N N -2.073 13.246 0.168 . . . 1.0 . . . . . . . . . . . . B . 31 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 571 . 2 1 6 TRP NE1 N -1.670 13.032 -5.529 . . . 1.0 . . . . . . . . . . . . B . 31 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 572 . 2 1 6 TRP O O -1.713 15.974 -1.301 . . . 1.0 . . . . . . . . . . . . B . 31 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 573 . 2 1 7 . C C -2.289 11.989 0.509 . . . 1.0 . . . . . . . . . . . . B . 32 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 574 . 2 1 7 . CA C -2.629 11.697 1.967 . . . 1.0 . . . . . . . . . . . . B . 32 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 575 . 2 1 7 . CB C -4.073 11.224 2.081 . . . 1.0 . . . . . . . . . . . . B . 32 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 576 . 2 1 7 . CD1 C -4.938 11.459 4.422 . . . 1.0 . . . . . . . . . . . . B . 32 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 577 . 2 1 7 . CD2 C -5.389 9.361 3.136 . . . 1.0 . . . . . . . . . . . . B . 32 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 578 . 2 1 7 . CG C -4.398 10.489 3.384 . . . 1.0 . . . . . . . . . . . . B . 32 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 579 . 2 1 7 . H H -1.526 9.882 2.036 . . . 1.0 . . . . . . . . . . . . B . 32 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 580 . 2 1 7 . HA H -2.516 12.594 2.541 . . . 1.0 . . . . . . . . . . . . B . 32 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 581 . 2 1 7 . HB2 H -4.276 10.561 1.256 . . . 1.0 . . . . . . . . . . . . B . 32 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 582 . 2 1 7 . HB3 H -4.719 12.083 2.001 . . . 1.0 . . . . . . . . . . . . B . 32 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 583 . 2 1 7 . HD11 H -5.936 11.162 4.708 . . . 1.0 . . . . . . . . . . . . B . 32 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 584 . 2 1 7 . HD12 H -4.964 12.456 4.005 . . . 1.0 . . . . . . . . . . . . B . 32 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 585 . 2 1 7 . HD13 H -4.296 11.450 5.291 . . . 1.0 . . . . . . . . . . . . B . 32 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 586 . 2 1 7 . HD21 H -4.950 8.638 2.463 . . . 1.0 . . . . . . . . . . . . B . 32 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 587 . 2 1 7 . HD22 H -6.290 9.762 2.698 . . . 1.0 . . . . . . . . . . . . B . 32 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 588 . 2 1 7 . HD23 H -5.626 8.880 4.075 . . . 1.0 . . . . . . . . . . . . B . 32 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 589 . 2 1 7 . HG H -3.491 10.053 3.779 . . . 1.0 . . . . . . . . . . . . B . 32 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 590 . 2 1 7 . N N -1.736 10.687 2.545 . . . 1.0 . . . . . . . . . . . . B . 32 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 591 . 2 1 7 . O O -2.230 11.092 -0.308 . . . 1.0 . . . . . . . . . . . . B . 32 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 592 . 2 1 8 TRP C C -1.236 10.826 3.766 . . . 1.0 . . . . . . . . . . . . B . 33 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 593 . 2 1 8 TRP CA C -0.345 9.695 4.285 . . . 1.0 . . . . . . . . . . . . B . 33 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 594 . 2 1 8 TRP CB C -0.019 9.935 5.746 . . . 1.0 . . . . . . . . . . . . B . 33 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 595 . 2 1 8 TRP CD1 C -1.933 10.689 7.281 . . . 1.0 . . . . . . . . . . . . B . 33 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 596 . 2 1 8 TRP CD2 C -1.732 8.480 7.053 . . . 1.0 . . . . . . . . . . . . B . 33 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 597 . 2 1 8 TRP CE2 C -2.807 8.739 7.919 . . . 1.0 . . . . . . . . . . . . B . 33 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 598 . 2 1 8 TRP CE3 C -1.409 7.168 6.750 . . . 1.0 . . . . . . . . . . . . B . 33 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 599 . 2 1 8 TRP CG C -1.184 9.731 6.662 . . . 1.0 . . . . . . . . . . . . B . 33 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 600 . 2 1 8 TRP CH2 C -3.227 6.431 8.172 . . . 1.0 . . . . . . . . . . . . B . 33 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 601 . 2 1 8 TRP CZ2 C -3.565 7.719 8.488 . . . 1.0 . . . . . . . . . . . . B . 33 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 602 . 2 1 8 TRP CZ3 C -2.158 6.151 7.310 . . . 1.0 . . . . . . . . . . . . B . 33 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 603 . 2 1 8 TRP H H 1.665 10.105 3.930 . . . 1.0 . . . . . . . . . . . . B . 33 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 604 . 2 1 8 TRP HA H -0.847 8.742 4.204 . . . 1.0 . . . . . . . . . . . . B . 33 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 605 . 2 1 8 TRP HB2 H 0.776 9.262 6.042 . . . 1.0 . . . . . . . . . . . . B . 33 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 606 . 2 1 8 TRP HB3 H 0.327 10.937 5.852 . . . 1.0 . . . . . . . . . . . . B . 33 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 607 . 2 1 8 TRP HD1 H -1.768 11.748 7.179 . . . 1.0 . . . . . . . . . . . . B . 33 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 608 . 2 1 8 TRP HE1 H -3.572 10.570 8.594 . . . 1.0 . . . . . . . . . . . . B . 33 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 609 . 2 1 8 TRP HE3 H -0.587 6.946 6.087 . . . 1.0 . . . . . . . . . . . . B . 33 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 610 . 2 1 8 TRP HH2 H -3.787 5.607 8.589 . . . 1.0 . . . . . . . . . . . . B . 33 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 611 . 2 1 8 TRP HZ2 H -4.391 7.922 9.154 . . . 1.0 . . . . . . . . . . . . B . 33 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 612 . 2 1 8 TRP HZ3 H -1.925 5.123 7.083 . . . 1.0 . . . . . . . . . . . . B . 33 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 613 . 2 1 8 TRP N N 0.905 9.613 3.577 . . . 1.0 . . . . . . . . . . . . B . 33 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 614 . 2 1 8 TRP NE1 N -2.910 10.098 8.048 . . . 1.0 . . . . . . . . . . . . B . 33 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 615 . 2 1 8 TRP O O -1.486 11.798 4.478 . . . 1.0 . . . . . . . . . . . . B . 33 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 616 . 2 1 9 . C C 1.079 8.851 2.516 . . . 1.0 . . . . . . . . . . . . B . 34 DVA C . . . . . . . . . rr_1kqe 1 . 1 . 617 . 2 1 9 . CA C 2.494 8.856 1.931 . . . 1.0 . . . . . . . . . . . . B . 34 DVA CA . . . . . . . . . rr_1kqe 1 . 1 . 618 . 2 1 9 . CB C 3.567 8.844 3.073 . . . 1.0 . . . . . . . . . . . . B . 34 DVA CB . . . . . . . . . rr_1kqe 1 . 1 . 619 . 2 1 9 . CG1 C 3.076 8.135 4.334 . . . 1.0 . . . . . . . . . . . . B . 34 DVA CG1 . . . . . . . . . rr_1kqe 1 . 1 . 620 . 2 1 9 . CG2 C 4.886 8.237 2.598 . . . 1.0 . . . . . . . . . . . . B . 34 DVA CG2 . . . . . . . . . rr_1kqe 1 . 1 . 621 . 2 1 9 . H H 2.437 6.857 1.230 . . . 1.0 . . . . . . . . . . . . B . 34 DVA H . . . . . . . . . rr_1kqe 1 . 1 . 622 . 2 1 9 . HA H 2.617 9.774 1.389 . . . 1.0 . . . . . . . . . . . . B . 34 DVA HA . . . . . . . . . rr_1kqe 1 . 1 . 623 . 2 1 9 . HB H 3.763 9.872 3.342 . . . 1.0 . . . . . . . . . . . . B . 34 DVA HB . . . . . . . . . rr_1kqe 1 . 1 . 624 . 2 1 9 . HG11 H 2.663 8.869 5.023 . . . 1.0 . . . . . . . . . . . . B . 34 DVA HG11 . . . . . . . . . rr_1kqe 1 . 1 . 625 . 2 1 9 . HG12 H 3.899 7.621 4.806 . . . 1.0 . . . . . . . . . . . . B . 34 DVA HG12 . . . . . . . . . rr_1kqe 1 . 1 . 626 . 2 1 9 . HG13 H 2.309 7.425 4.068 . . . 1.0 . . . . . . . . . . . . B . 34 DVA HG13 . . . . . . . . . rr_1kqe 1 . 1 . 627 . 2 1 9 . HG21 H 5.707 8.774 3.051 . . . 1.0 . . . . . . . . . . . . B . 34 DVA HG21 . . . . . . . . . rr_1kqe 1 . 1 . 628 . 2 1 9 . HG22 H 4.961 8.312 1.524 . . . 1.0 . . . . . . . . . . . . B . 34 DVA HG22 . . . . . . . . . rr_1kqe 1 . 1 . 629 . 2 1 9 . HG23 H 4.936 7.200 2.894 . . . 1.0 . . . . . . . . . . . . B . 34 DVA HG23 . . . . . . . . . rr_1kqe 1 . 1 . 630 . 2 1 9 . N N 2.661 7.778 0.971 . . . 1.0 . . . . . . . . . . . . B . 34 DVA N . . . . . . . . . rr_1kqe 1 . 1 . 631 . 2 1 9 . O O 0.194 8.140 2.043 . . . 1.0 . . . . . . . . . . . . B . 34 DVA O . . . . . . . . . rr_1kqe 1 . 1 . 632 . 2 1 10 VAL C C 3.073 8.027 -0.269 . . . 1.0 . . . . . . . . . . . . B . 35 VAL C . . . . . . . . . rr_1kqe 1 . 1 . 633 . 2 1 10 VAL CA C 3.171 6.821 -1.202 . . . 1.0 . . . . . . . . . . . . B . 35 VAL CA . . . . . . . . . rr_1kqe 1 . 1 . 634 . 2 1 10 VAL CB C 4.104 7.103 -2.415 . . . 1.0 . . . . . . . . . . . . B . 35 VAL CB . . . . . . . . . rr_1kqe 1 . 1 . 635 . 2 1 10 VAL CG1 C 5.241 8.063 -2.085 . . . 1.0 . . . . . . . . . . . . B . 35 VAL CG1 . . . . . . . . . rr_1kqe 1 . 1 . 636 . 2 1 10 VAL CG2 C 4.663 5.794 -2.954 . . . 1.0 . . . . . . . . . . . . B . 35 VAL CG2 . . . . . . . . . rr_1kqe 1 . 1 . 637 . 2 1 10 VAL H H 1.172 7.178 -1.775 . . . 1.0 . . . . . . . . . . . . B . 35 VAL H . . . . . . . . . rr_1kqe 1 . 1 . 638 . 2 1 10 VAL HA H 3.566 5.980 -0.651 . . . 1.0 . . . . . . . . . . . . B . 35 VAL HA . . . . . . . . . rr_1kqe 1 . 1 . 639 . 2 1 10 VAL HB H 3.509 7.554 -3.195 . . . 1.0 . . . . . . . . . . . . B . 35 VAL HB . . . . . . . . . rr_1kqe 1 . 1 . 640 . 2 1 10 VAL HG11 H 6.152 7.717 -2.550 . . . 1.0 . . . . . . . . . . . . B . 35 VAL HG11 . . . . . . . . . rr_1kqe 1 . 1 . 641 . 2 1 10 VAL HG12 H 5.378 8.108 -1.015 . . . 1.0 . . . . . . . . . . . . B . 35 VAL HG12 . . . . . . . . . rr_1kqe 1 . 1 . 642 . 2 1 10 VAL HG13 H 4.995 9.047 -2.460 . . . 1.0 . . . . . . . . . . . . B . 35 VAL HG13 . . . . . . . . . rr_1kqe 1 . 1 . 643 . 2 1 10 VAL HG21 H 3.851 5.110 -3.151 . . . 1.0 . . . . . . . . . . . . B . 35 VAL HG21 . . . . . . . . . rr_1kqe 1 . 1 . 644 . 2 1 10 VAL HG22 H 5.330 5.361 -2.225 . . . 1.0 . . . . . . . . . . . . B . 35 VAL HG22 . . . . . . . . . rr_1kqe 1 . 1 . 645 . 2 1 10 VAL HG23 H 5.204 5.983 -3.870 . . . 1.0 . . . . . . . . . . . . B . 35 VAL HG23 . . . . . . . . . rr_1kqe 1 . 1 . 646 . 2 1 10 VAL N N 1.841 6.466 -1.665 . . . 1.0 . . . . . . . . . . . . B . 35 VAL N . . . . . . . . . rr_1kqe 1 . 1 . 647 . 2 1 10 VAL O O 3.323 9.164 -0.669 . . . 1.0 . . . . . . . . . . . . B . 35 VAL O . . . . . . . . . rr_1kqe 1 . 1 . 648 . 2 1 11 . C C 1.506 5.214 -1.949 . . . 1.0 . . . . . . . . . . . . B . 36 DVA C . . . . . . . . . rr_1kqe 1 . 1 . 649 . 2 1 11 . CA C 0.074 5.011 -2.431 . . . 1.0 . . . . . . . . . . . . B . 36 DVA CA . . . . . . . . . rr_1kqe 1 . 1 . 650 . 2 1 11 . CB C 0.040 4.934 -3.988 . . . 1.0 . . . . . . . . . . . . B . 36 DVA CB . . . . . . . . . rr_1kqe 1 . 1 . 651 . 2 1 11 . CG1 C 1.172 4.073 -4.554 . . . 1.0 . . . . . . . . . . . . B . 36 DVA CG1 . . . . . . . . . rr_1kqe 1 . 1 . 652 . 2 1 11 . CG2 C -1.309 4.420 -4.488 . . . 1.0 . . . . . . . . . . . . B . 36 DVA CG2 . . . . . . . . . rr_1kqe 1 . 1 . 653 . 2 1 11 . H H -0.057 2.992 -1.787 . . . 1.0 . . . . . . . . . . . . B . 36 DVA H . . . . . . . . . rr_1kqe 1 . 1 . 654 . 2 1 11 . HA H -0.498 5.880 -2.131 . . . 1.0 . . . . . . . . . . . . B . 36 DVA HA . . . . . . . . . rr_1kqe 1 . 1 . 655 . 2 1 11 . HB H 0.172 5.937 -4.368 . . . 1.0 . . . . . . . . . . . . B . 36 DVA HB . . . . . . . . . rr_1kqe 1 . 1 . 656 . 2 1 11 . HG11 H 1.223 4.212 -5.624 . . . 1.0 . . . . . . . . . . . . B . 36 DVA HG11 . . . . . . . . . rr_1kqe 1 . 1 . 657 . 2 1 11 . HG12 H 0.980 3.033 -4.340 . . . 1.0 . . . . . . . . . . . . B . 36 DVA HG12 . . . . . . . . . rr_1kqe 1 . 1 . 658 . 2 1 11 . HG13 H 2.111 4.365 -4.111 . . . 1.0 . . . . . . . . . . . . B . 36 DVA HG13 . . . . . . . . . rr_1kqe 1 . 1 . 659 . 2 1 11 . HG21 H -1.157 3.834 -5.384 . . . 1.0 . . . . . . . . . . . . B . 36 DVA HG21 . . . . . . . . . rr_1kqe 1 . 1 . 660 . 2 1 11 . HG22 H -1.955 5.255 -4.714 . . . 1.0 . . . . . . . . . . . . B . 36 DVA HG22 . . . . . . . . . rr_1kqe 1 . 1 . 661 . 2 1 11 . HG23 H -1.770 3.801 -3.733 . . . 1.0 . . . . . . . . . . . . B . 36 DVA HG23 . . . . . . . . . rr_1kqe 1 . 1 . 662 . 2 1 11 . N N -0.543 3.843 -1.808 . . . 1.0 . . . . . . . . . . . . B . 36 DVA N . . . . . . . . . rr_1kqe 1 . 1 . 663 . 2 1 11 . O O 2.282 4.265 -1.844 . . . 1.0 . . . . . . . . . . . . B . 36 DVA O . . . . . . . . . rr_1kqe 1 . 1 . 664 . 2 1 12 ALA C C -1.760 3.907 -1.276 . . . 1.0 . . . . . . . . . . . . B . 37 ALA C . . . . . . . . . rr_1kqe 1 . 1 . 665 . 2 1 12 ALA CA C -2.298 2.620 -0.662 . . . 1.0 . . . . . . . . . . . . B . 37 ALA CA . . . . . . . . . rr_1kqe 1 . 1 . 666 . 2 1 12 ALA CB C -3.721 2.829 -0.166 . . . 1.0 . . . . . . . . . . . . B . 37 ALA CB . . . . . . . . . rr_1kqe 1 . 1 . 667 . 2 1 12 ALA H H -1.049 2.842 1.033 . . . 1.0 . . . . . . . . . . . . B . 37 ALA H . . . . . . . . . rr_1kqe 1 . 1 . 668 . 2 1 12 ALA HA H -2.317 1.851 -1.423 . . . 1.0 . . . . . . . . . . . . B . 37 ALA HA . . . . . . . . . rr_1kqe 1 . 1 . 669 . 2 1 12 ALA HB1 H -3.888 2.224 0.714 . . . 1.0 . . . . . . . . . . . . B . 37 ALA HB1 . . . . . . . . . rr_1kqe 1 . 1 . 670 . 2 1 12 ALA HB2 H -4.418 2.540 -0.938 . . . 1.0 . . . . . . . . . . . . B . 37 ALA HB2 . . . . . . . . . rr_1kqe 1 . 1 . 671 . 2 1 12 ALA HB3 H -3.868 3.869 0.080 . . . 1.0 . . . . . . . . . . . . B . 37 ALA HB3 . . . . . . . . . rr_1kqe 1 . 1 . 672 . 2 1 12 ALA N N -1.443 2.168 0.436 . . . 1.0 . . . . . . . . . . . . B . 37 ALA N . . . . . . . . . rr_1kqe 1 . 1 . 673 . 2 1 12 ALA O O -2.434 4.935 -1.271 . . . 1.0 . . . . . . . . . . . . B . 37 ALA O . . . . . . . . . rr_1kqe 1 . 1 . 674 . 2 1 13 SIN C1 C -1.190 0.870 0.646 . . . 1.0 . . . . . . . . . . . . B . 38 SIN C1 . . . . . . . . . rr_1kqe 1 . 1 . 675 . 2 1 13 SIN C2 C -0.264 0.615 1.860 . . . 1.0 . . . . . . . . . . . . B . 38 SIN C2 . . . . . . . . . rr_1kqe 1 . 1 . 676 . 2 1 13 SIN C3 C -0.412 -0.839 2.366 . . . 1.0 . . . . . . . . . . . . B . 38 SIN C3 . . . . . . . . . rr_1kqe 1 . 1 . 677 . 2 1 13 SIN C4 C 0.918 -1.316 2.998 . . . 1.0 . . . . . . . . . . . . B . 38 SIN C4 . . . . . . . . . rr_1kqe 1 . 1 . 678 . 2 1 13 SIN H21 H 0.750 0.788 1.569 . . . 1.0 . . . . . . . . . . . . B . 38 SIN H21 . . . . . . . . . rr_1kqe 1 . 1 . 679 . 2 1 13 SIN H22 H -0.523 1.289 2.649 . . . 1.0 . . . . . . . . . . . . B . 38 SIN H22 . . . . . . . . . rr_1kqe 1 . 1 . 680 . 2 1 13 SIN H31 H -0.662 -1.477 1.543 . . . 1.0 . . . . . . . . . . . . B . 38 SIN H31 . . . . . . . . . rr_1kqe 1 . 1 . 681 . 2 1 13 SIN H32 H -1.191 -0.884 3.097 . . . 1.0 . . . . . . . . . . . . B . 38 SIN H32 . . . . . . . . . rr_1kqe 1 . 1 . 682 . 2 1 13 SIN O3 O -1.638 -0.048 -0.049 . . . 1.0 . . . . . . . . . . . . B . 38 SIN O3 . . . . . . . . . rr_1kqe 1 . 1 . 683 . 2 1 13 SIN O4 O 1.671 -0.544 3.595 . . . 1.0 . . . . . . . . . . . . B . 38 SIN O4 . . . . . . . . . rr_1kqe 1 . 1 . 684 . 2 1 14 ALA C C 2.875 -4.335 2.430 . . . 1.0 . . . . . . . . . . . . B . 39 ALA C . . . . . . . . . rr_1kqe 1 . 1 . 685 . 2 1 14 ALA CA C 2.355 -3.261 3.377 . . . 1.0 . . . . . . . . . . . . B . 39 ALA CA . . . . . . . . . rr_1kqe 1 . 1 . 686 . 2 1 14 ALA CB C 2.065 -3.862 4.745 . . . 1.0 . . . . . . . . . . . . B . 39 ALA CB . . . . . . . . . rr_1kqe 1 . 1 . 687 . 2 1 14 ALA H H 0.499 -3.184 2.362 . . . 1.0 . . . . . . . . . . . . B . 39 ALA H . . . . . . . . . rr_1kqe 1 . 1 . 688 . 2 1 14 ALA HA H 3.119 -2.503 3.501 . . . 1.0 . . . . . . . . . . . . B . 39 ALA HA . . . . . . . . . rr_1kqe 1 . 1 . 689 . 2 1 14 ALA HB1 H 1.931 -4.929 4.648 . . . 1.0 . . . . . . . . . . . . B . 39 ALA HB1 . . . . . . . . . rr_1kqe 1 . 1 . 690 . 2 1 14 ALA HB2 H 1.165 -3.421 5.147 . . . 1.0 . . . . . . . . . . . . B . 39 ALA HB2 . . . . . . . . . rr_1kqe 1 . 1 . 691 . 2 1 14 ALA HB3 H 2.893 -3.660 5.409 . . . 1.0 . . . . . . . . . . . . B . 39 ALA HB3 . . . . . . . . . rr_1kqe 1 . 1 . 692 . 2 1 14 ALA N N 1.152 -2.626 2.841 . . . 1.0 . . . . . . . . . . . . B . 39 ALA N . . . . . . . . . rr_1kqe 1 . 1 . 693 . 2 1 14 ALA O O 2.943 -5.509 2.790 . . . 1.0 . . . . . . . . . . . . B . 39 ALA O . . . . . . . . . rr_1kqe 1 . 1 . 694 . 2 1 15 . C C 3.131 -4.678 -1.133 . . . 1.0 . . . . . . . . . . . . B . 40 DVA C . . . . . . . . . rr_1kqe 1 . 1 . 695 . 2 1 15 . CA C 3.777 -4.869 0.236 . . . 1.0 . . . . . . . . . . . . B . 40 DVA CA . . . . . . . . . rr_1kqe 1 . 1 . 696 . 2 1 15 . CB C 5.330 -4.771 0.108 . . . 1.0 . . . . . . . . . . . . B . 40 DVA CB . . . . . . . . . rr_1kqe 1 . 1 . 697 . 2 1 15 . CG1 C 5.770 -3.605 -0.780 . . . 1.0 . . . . . . . . . . . . B . 40 DVA CG1 . . . . . . . . . rr_1kqe 1 . 1 . 698 . 2 1 15 . CG2 C 5.992 -4.657 1.481 . . . 1.0 . . . . . . . . . . . . B . 40 DVA CG2 . . . . . . . . . rr_1kqe 1 . 1 . 699 . 2 1 15 . H H 3.184 -2.977 0.996 . . . 1.0 . . . . . . . . . . . . B . 40 DVA H . . . . . . . . . rr_1kqe 1 . 1 . 700 . 2 1 15 . HA H 3.537 -5.868 0.580 . . . 1.0 . . . . . . . . . . . . B . 40 DVA HA . . . . . . . . . rr_1kqe 1 . 1 . 701 . 2 1 15 . HB H 5.680 -5.683 -0.352 . . . 1.0 . . . . . . . . . . . . B . 40 DVA HB . . . . . . . . . rr_1kqe 1 . 1 . 702 . 2 1 15 . HG11 H 5.637 -2.674 -0.251 . . . 1.0 . . . . . . . . . . . . B . 40 DVA HG11 . . . . . . . . . rr_1kqe 1 . 1 . 703 . 2 1 15 . HG12 H 5.186 -3.594 -1.687 . . . 1.0 . . . . . . . . . . . . B . 40 DVA HG12 . . . . . . . . . rr_1kqe 1 . 1 . 704 . 2 1 15 . HG13 H 6.814 -3.725 -1.032 . . . 1.0 . . . . . . . . . . . . B . 40 DVA HG13 . . . . . . . . . rr_1kqe 1 . 1 . 705 . 2 1 15 . HG21 H 5.303 -4.216 2.188 . . . 1.0 . . . . . . . . . . . . B . 40 DVA HG21 . . . . . . . . . rr_1kqe 1 . 1 . 706 . 2 1 15 . HG22 H 6.868 -4.031 1.403 . . . 1.0 . . . . . . . . . . . . B . 40 DVA HG22 . . . . . . . . . rr_1kqe 1 . 1 . 707 . 2 1 15 . HG23 H 6.285 -5.638 1.826 . . . 1.0 . . . . . . . . . . . . B . 40 DVA HG23 . . . . . . . . . rr_1kqe 1 . 1 . 708 . 2 1 15 . N N 3.252 -3.928 1.223 . . . 1.0 . . . . . . . . . . . . B . 40 DVA N . . . . . . . . . rr_1kqe 1 . 1 . 709 . 2 1 15 . O O 2.949 -3.552 -1.598 . . . 1.0 . . . . . . . . . . . . B . 40 DVA O . . . . . . . . . rr_1kqe 1 . 1 . 710 . 2 1 16 VAL C C 1.283 -6.993 -3.241 . . . 1.0 . . . . . . . . . . . . B . 41 VAL C . . . . . . . . . rr_1kqe 1 . 1 . 711 . 2 1 16 VAL CA C 2.193 -5.775 -3.097 . . . 1.0 . . . . . . . . . . . . B . 41 VAL CA . . . . . . . . . rr_1kqe 1 . 1 . 712 . 2 1 16 VAL CB C 3.300 -5.747 -4.192 . . . 1.0 . . . . . . . . . . . . B . 41 VAL CB . . . . . . . . . rr_1kqe 1 . 1 . 713 . 2 1 16 VAL CG1 C 2.876 -6.419 -5.494 . . . 1.0 . . . . . . . . . . . . B . 41 VAL CG1 . . . . . . . . . rr_1kqe 1 . 1 . 714 . 2 1 16 VAL CG2 C 3.731 -4.312 -4.455 . . . 1.0 . . . . . . . . . . . . B . 41 VAL CG2 . . . . . . . . . rr_1kqe 1 . 1 . 715 . 2 1 16 VAL H H 2.984 -6.662 -1.352 . . . 1.0 . . . . . . . . . . . . B . 41 VAL H . . . . . . . . . rr_1kqe 1 . 1 . 716 . 2 1 16 VAL HA H 1.602 -4.875 -3.180 . . . 1.0 . . . . . . . . . . . . B . 41 VAL HA . . . . . . . . . rr_1kqe 1 . 1 . 717 . 2 1 16 VAL HB H 4.155 -6.282 -3.811 . . . 1.0 . . . . . . . . . . . . B . 41 VAL HB . . . . . . . . . rr_1kqe 1 . 1 . 718 . 2 1 16 VAL HG11 H 1.799 -6.443 -5.556 . . . 1.0 . . . . . . . . . . . . B . 41 VAL HG11 . . . . . . . . . rr_1kqe 1 . 1 . 719 . 2 1 16 VAL HG12 H 3.263 -7.428 -5.513 . . . 1.0 . . . . . . . . . . . . B . 41 VAL HG12 . . . . . . . . . rr_1kqe 1 . 1 . 720 . 2 1 16 VAL HG13 H 3.274 -5.865 -6.332 . . . 1.0 . . . . . . . . . . . . B . 41 VAL HG13 . . . . . . . . . rr_1kqe 1 . 1 . 721 . 2 1 16 VAL HG21 H 3.962 -3.829 -3.517 . . . 1.0 . . . . . . . . . . . . B . 41 VAL HG21 . . . . . . . . . rr_1kqe 1 . 1 . 722 . 2 1 16 VAL HG22 H 2.929 -3.779 -4.946 . . . 1.0 . . . . . . . . . . . . B . 41 VAL HG22 . . . . . . . . . rr_1kqe 1 . 1 . 723 . 2 1 16 VAL HG23 H 4.606 -4.308 -5.087 . . . 1.0 . . . . . . . . . . . . B . 41 VAL HG23 . . . . . . . . . rr_1kqe 1 . 1 . 724 . 2 1 16 VAL N N 2.803 -5.793 -1.776 . . . 1.0 . . . . . . . . . . . . B . 41 VAL N . . . . . . . . . rr_1kqe 1 . 1 . 725 . 2 1 16 VAL O O 1.679 -8.021 -3.789 . . . 1.0 . . . . . . . . . . . . B . 41 VAL O . . . . . . . . . rr_1kqe 1 . 1 . 726 . 2 1 17 . C C -1.291 -8.371 -1.301 . . . 1.0 . . . . . . . . . . . . B . 42 DVA C . . . . . . . . . rr_1kqe 1 . 1 . 727 . 2 1 17 . CA C -0.849 -8.011 -2.720 . . . 1.0 . . . . . . . . . . . . B . 42 DVA CA . . . . . . . . . rr_1kqe 1 . 1 . 728 . 2 1 17 . CB C -2.082 -7.776 -3.656 . . . 1.0 . . . . . . . . . . . . B . 42 DVA CB . . . . . . . . . rr_1kqe 1 . 1 . 729 . 2 1 17 . CG1 C -3.308 -7.267 -2.902 . . . 1.0 . . . . . . . . . . . . B . 42 DVA CG1 . . . . . . . . . rr_1kqe 1 . 1 . 730 . 2 1 17 . CG2 C -1.738 -6.839 -4.812 . . . 1.0 . . . . . . . . . . . . B . 42 DVA CG2 . . . . . . . . . rr_1kqe 1 . 1 . 731 . 2 1 17 . H H -0.171 -6.065 -2.218 . . . 1.0 . . . . . . . . . . . . B . 42 DVA H . . . . . . . . . rr_1kqe 1 . 1 . 732 . 2 1 17 . HA H -0.308 -8.852 -3.109 . . . 1.0 . . . . . . . . . . . . B . 42 DVA HA . . . . . . . . . rr_1kqe 1 . 1 . 733 . 2 1 17 . HB H -2.347 -8.732 -4.085 . . . 1.0 . . . . . . . . . . . . B . 42 DVA HB . . . . . . . . . rr_1kqe 1 . 1 . 734 . 2 1 17 . HG11 H -3.849 -6.568 -3.519 . . . 1.0 . . . . . . . . . . . . B . 42 DVA HG11 . . . . . . . . . rr_1kqe 1 . 1 . 735 . 2 1 17 . HG12 H -2.989 -6.779 -1.991 . . . 1.0 . . . . . . . . . . . . B . 42 DVA HG12 . . . . . . . . . rr_1kqe 1 . 1 . 736 . 2 1 17 . HG13 H -3.952 -8.110 -2.654 . . . 1.0 . . . . . . . . . . . . B . 42 DVA HG13 . . . . . . . . . rr_1kqe 1 . 1 . 737 . 2 1 17 . HG21 H -0.666 -6.788 -4.938 . . . 1.0 . . . . . . . . . . . . B . 42 DVA HG21 . . . . . . . . . rr_1kqe 1 . 1 . 738 . 2 1 17 . HG22 H -2.125 -5.852 -4.606 . . . 1.0 . . . . . . . . . . . . B . 42 DVA HG22 . . . . . . . . . rr_1kqe 1 . 1 . 739 . 2 1 17 . HG23 H -2.186 -7.214 -5.721 . . . 1.0 . . . . . . . . . . . . B . 42 DVA HG23 . . . . . . . . . rr_1kqe 1 . 1 . 740 . 2 1 17 . N N 0.079 -6.893 -2.690 . . . 1.0 . . . . . . . . . . . . B . 42 DVA N . . . . . . . . . rr_1kqe 1 . 1 . 741 . 2 1 17 . O O -0.714 -7.906 -0.324 . . . 1.0 . . . . . . . . . . . . B . 42 DVA O . . . . . . . . . rr_1kqe 1 . 1 . 742 . 2 1 18 TRP C C -2.316 -10.870 0.565 . . . 1.0 . . . . . . . . . . . . B . 43 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 743 . 2 1 18 TRP CA C -2.915 -9.567 0.043 . . . 1.0 . . . . . . . . . . . . B . 43 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 744 . 2 1 18 TRP CB C -4.397 -9.761 -0.180 . . . 1.0 . . . . . . . . . . . . B . 43 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 745 . 2 1 18 TRP CD1 C -5.728 -10.965 1.652 . . . 1.0 . . . . . . . . . . . . B . 43 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 746 . 2 1 18 TRP CD2 C -5.465 -8.776 1.975 . . . 1.0 . . . . . . . . . . . . B . 43 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 747 . 2 1 18 TRP CE2 C -6.211 -9.294 3.046 . . . 1.0 . . . . . . . . . . . . B . 43 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 748 . 2 1 18 TRP CE3 C -5.166 -7.424 1.950 . . . 1.0 . . . . . . . . . . . . B . 43 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 749 . 2 1 18 TRP CG C -5.175 -9.851 1.094 . . . 1.0 . . . . . . . . . . . . B . 43 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 750 . 2 1 18 TRP CH2 C -6.351 -7.163 4.047 . . . 1.0 . . . . . . . . . . . . B . 43 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 751 . 2 1 18 TRP CZ2 C -6.662 -8.494 4.092 . . . 1.0 . . . . . . . . . . . . B . 43 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 752 . 2 1 18 TRP CZ3 C -5.609 -6.626 2.987 . . . 1.0 . . . . . . . . . . . . B . 43 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 753 . 2 1 18 TRP H H -2.775 -9.459 -2.032 . . . 1.0 . . . . . . . . . . . . B . 43 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 754 . 2 1 18 TRP HA H -2.780 -8.768 0.755 . . . 1.0 . . . . . . . . . . . . B . 43 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 755 . 2 1 18 TRP HB2 H -4.776 -8.936 -0.766 . . . 1.0 . . . . . . . . . . . . B . 43 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 756 . 2 1 18 TRP HB3 H -4.536 -10.661 -0.728 . . . 1.0 . . . . . . . . . . . . B . 43 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 757 . 2 1 18 TRP HD1 H -5.671 -11.950 1.221 . . . 1.0 . . . . . . . . . . . . B . 43 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 758 . 2 1 18 TRP HE1 H -6.841 -11.260 3.411 . . . 1.0 . . . . . . . . . . . . B . 43 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 759 . 2 1 18 TRP HE3 H -4.595 -7.002 1.135 . . . 1.0 . . . . . . . . . . . . B . 43 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 760 . 2 1 18 TRP HH2 H -6.678 -6.503 4.836 . . . 1.0 . . . . . . . . . . . . B . 43 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 761 . 2 1 18 TRP HZ2 H -7.235 -8.896 4.916 . . . 1.0 . . . . . . . . . . . . B . 43 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 762 . 2 1 18 TRP HZ3 H -5.383 -5.574 2.989 . . . 1.0 . . . . . . . . . . . . B . 43 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 763 . 2 1 18 TRP N N -2.340 -9.165 -1.213 . . . 1.0 . . . . . . . . . . . . B . 43 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 764 . 2 1 18 TRP NE1 N -6.363 -10.636 2.826 . . . 1.0 . . . . . . . . . . . . B . 43 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 765 . 2 1 18 TRP O O -3.011 -11.879 0.663 . . . 1.0 . . . . . . . . . . . . B . 43 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 766 . 2 1 19 . C C 0.994 -12.219 0.834 . . . 1.0 . . . . . . . . . . . . B . 44 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 767 . 2 1 19 . CA C -0.386 -12.038 1.451 . . . 1.0 . . . . . . . . . . . . B . 44 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 768 . 2 1 19 . CB C -0.285 -11.935 2.973 . . . 1.0 . . . . . . . . . . . . B . 44 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 769 . 2 1 19 . CD1 C -2.508 -12.291 4.078 . . . 1.0 . . . . . . . . . . . . B . 44 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 770 . 2 1 19 . CD2 C -1.037 -10.415 4.828 . . . 1.0 . . . . . . . . . . . . B . 44 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 771 . 2 1 19 . CG C -1.484 -11.256 3.642 . . . 1.0 . . . . . . . . . . . . B . 44 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 772 . 2 1 19 . H H -0.541 -10.011 0.842 . . . 1.0 . . . . . . . . . . . . B . 44 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 773 . 2 1 19 . HA H -1.002 -12.883 1.201 . . . 1.0 . . . . . . . . . . . . B . 44 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 774 . 2 1 19 . HB2 H 0.603 -11.374 3.219 . . . 1.0 . . . . . . . . . . . . B . 44 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 775 . 2 1 19 . HB3 H -0.187 -12.933 3.376 . . . 1.0 . . . . . . . . . . . . B . 44 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 776 . 2 1 19 . HD11 H -2.149 -13.279 3.834 . . . 1.0 . . . . . . . . . . . . B . 44 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 777 . 2 1 19 . HD12 H -3.442 -12.110 3.566 . . . 1.0 . . . . . . . . . . . . B . 44 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 778 . 2 1 19 . HD13 H -2.663 -12.216 5.144 . . . 1.0 . . . . . . . . . . . . B . 44 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 779 . 2 1 19 . HD21 H -1.908 -10.035 5.345 . . . 1.0 . . . . . . . . . . . . B . 44 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 780 . 2 1 19 . HD22 H -0.437 -9.588 4.479 . . . 1.0 . . . . . . . . . . . . B . 44 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 781 . 2 1 19 . HD23 H -0.454 -11.024 5.503 . . . 1.0 . . . . . . . . . . . . B . 44 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 782 . 2 1 19 . HG H -1.959 -10.599 2.927 . . . 1.0 . . . . . . . . . . . . B . 44 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 783 . 2 1 19 . N N -1.042 -10.846 0.918 . . . 1.0 . . . . . . . . . . . . B . 44 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 784 . 2 1 19 . O O 1.802 -11.316 0.843 . . . 1.0 . . . . . . . . . . . . B . 44 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 785 . 2 1 20 TRP C C 2.477 -14.677 -1.397 . . . 1.0 . . . . . . . . . . . . B . 45 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 786 . 2 1 20 TRP CA C 2.569 -13.588 -0.340 . . . 1.0 . . . . . . . . . . . . B . 45 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 787 . 2 1 20 TRP CB C 3.641 -13.897 0.698 . . . 1.0 . . . . . . . . . . . . B . 45 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 788 . 2 1 20 TRP CD1 C 5.674 -13.683 -0.800 . . . 1.0 . . . . . . . . . . . . B . 45 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 789 . 2 1 20 TRP CD2 C 5.717 -12.306 0.949 . . . 1.0 . . . . . . . . . . . . B . 45 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 790 . 2 1 20 TRP CE2 C 6.897 -12.116 0.205 . . . 1.0 . . . . . . . . . . . . B . 45 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 791 . 2 1 20 TRP CE3 C 5.517 -11.539 2.094 . . . 1.0 . . . . . . . . . . . . B . 45 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 792 . 2 1 20 TRP CG C 4.965 -13.334 0.297 . . . 1.0 . . . . . . . . . . . . B . 45 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 793 . 2 1 20 TRP CH2 C 7.646 -10.453 1.700 . . . 1.0 . . . . . . . . . . . . B . 45 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 794 . 2 1 20 TRP CZ2 C 7.869 -11.191 0.571 . . . 1.0 . . . . . . . . . . . . B . 45 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 795 . 2 1 20 TRP CZ3 C 6.480 -10.617 2.459 . . . 1.0 . . . . . . . . . . . . B . 45 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 796 . 2 1 20 TRP H H 0.611 -14.105 0.287 . . . 1.0 . . . . . . . . . . . . B . 45 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 797 . 2 1 20 TRP HA H 2.835 -12.660 -0.832 . . . 1.0 . . . . . . . . . . . . B . 45 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 798 . 2 1 20 TRP HB2 H 3.358 -13.463 1.646 . . . 1.0 . . . . . . . . . . . . B . 45 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 799 . 2 1 20 TRP HB3 H 3.744 -14.970 0.806 . . . 1.0 . . . . . . . . . . . . B . 45 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 800 . 2 1 20 TRP HD1 H 5.345 -14.420 -1.502 . . . 1.0 . . . . . . . . . . . . B . 45 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 801 . 2 1 20 TRP HE1 H 7.533 -13.064 -1.555 . . . 1.0 . . . . . . . . . . . . B . 45 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 802 . 2 1 20 TRP HE3 H 4.622 -11.647 2.681 . . . 1.0 . . . . . . . . . . . . B . 45 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 803 . 2 1 20 TRP HH2 H 8.373 -9.722 2.021 . . . 1.0 . . . . . . . . . . . . B . 45 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 804 . 2 1 20 TRP HZ2 H 8.773 -11.052 -0.004 . . . 1.0 . . . . . . . . . . . . B . 45 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 805 . 2 1 20 TRP HZ3 H 6.341 -10.016 3.344 . . . 1.0 . . . . . . . . . . . . B . 45 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 806 . 2 1 20 TRP N N 1.276 -13.381 0.286 . . . 1.0 . . . . . . . . . . . . B . 45 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 807 . 2 1 20 TRP NE1 N 6.847 -12.973 -0.861 . . . 1.0 . . . . . . . . . . . . B . 45 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 808 . 2 1 20 TRP O O 2.213 -15.829 -1.087 . . . 1.0 . . . . . . . . . . . . B . 45 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 809 . 2 1 21 . C C 1.069 -15.175 -4.249 . . . 1.0 . . . . . . . . . . . . B . 46 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 810 . 2 1 21 . CA C 2.509 -15.211 -3.778 . . . 1.0 . . . . . . . . . . . . B . 46 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 811 . 2 1 21 . CB C 3.434 -14.825 -4.935 . . . 1.0 . . . . . . . . . . . . B . 46 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 812 . 2 1 21 . CD1 C 5.681 -14.128 -5.840 . . . 1.0 . . . . . . . . . . . . B . 46 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 813 . 2 1 21 . CD2 C 5.647 -15.799 -3.975 . . . 1.0 . . . . . . . . . . . . B . 46 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 814 . 2 1 21 . CG C 4.932 -14.580 -4.592 . . . 1.0 . . . . . . . . . . . . B . 46 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 815 . 2 1 21 . H H 2.797 -13.333 -2.838 . . . 1.0 . . . . . . . . . . . . B . 46 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 816 . 2 1 21 . HA H 2.728 -16.209 -3.440 . . . 1.0 . . . . . . . . . . . . B . 46 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 817 . 2 1 21 . HB2 H 3.038 -13.912 -5.350 . . . 1.0 . . . . . . . . . . . . B . 46 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 818 . 2 1 21 . HB3 H 3.360 -15.587 -5.700 . . . 1.0 . . . . . . . . . . . . B . 46 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 819 . 2 1 21 . HD11 H 6.719 -14.417 -5.760 . . . 1.0 . . . . . . . . . . . . B . 46 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 820 . 2 1 21 . HD12 H 5.615 -13.054 -5.933 . . . 1.0 . . . . . . . . . . . . B . 46 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 821 . 2 1 21 . HD13 H 5.247 -14.591 -6.712 . . . 1.0 . . . . . . . . . . . . B . 46 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 822 . 2 1 21 . HD21 H 6.679 -15.538 -3.783 . . . 1.0 . . . . . . . . . . . . B . 46 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 823 . 2 1 21 . HD22 H 5.624 -16.639 -4.656 . . . 1.0 . . . . . . . . . . . . B . 46 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 824 . 2 1 21 . HD23 H 5.181 -16.077 -3.042 . . . 1.0 . . . . . . . . . . . . B . 46 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 825 . 2 1 21 . HG H 4.990 -13.776 -3.873 . . . 1.0 . . . . . . . . . . . . B . 46 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 826 . 2 1 21 . N N 2.637 -14.283 -2.656 . . . 1.0 . . . . . . . . . . . . B . 46 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 827 . 2 1 21 . O O 0.507 -14.110 -4.483 . . . 1.0 . . . . . . . . . . . . B . 46 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 828 . 2 1 22 TRP C C -1.573 -17.687 -4.354 . . . 1.0 . . . . . . . . . . . . B . 47 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 829 . 2 1 22 TRP CA C -0.935 -16.382 -4.764 . . . 1.0 . . . . . . . . . . . . B . 47 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 830 . 2 1 22 TRP CB C -1.082 -16.168 -6.242 . . . 1.0 . . . . . . . . . . . . B . 47 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 831 . 2 1 22 TRP CD1 C -3.537 -16.062 -6.947 . . . 1.0 . . . . . . . . . . . . B . 47 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 832 . 2 1 22 TRP CD2 C -2.582 -14.083 -6.586 . . . 1.0 . . . . . . . . . . . . B . 47 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 833 . 2 1 22 TRP CE2 C -3.916 -13.862 -6.969 . . . 1.0 . . . . . . . . . . . . B . 47 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 834 . 2 1 22 TRP CE3 C -1.770 -12.996 -6.299 . . . 1.0 . . . . . . . . . . . . B . 47 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 835 . 2 1 22 TRP CG C -2.359 -15.483 -6.591 . . . 1.0 . . . . . . . . . . . . B . 47 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 836 . 2 1 22 TRP CH2 C -3.634 -11.526 -6.781 . . . 1.0 . . . . . . . . . . . . B . 47 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 837 . 2 1 22 TRP CZ2 C -4.455 -12.583 -7.071 . . . 1.0 . . . . . . . . . . . . B . 47 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 838 . 2 1 22 TRP CZ3 C -2.300 -11.723 -6.396 . . . 1.0 . . . . . . . . . . . . B . 47 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 839 . 2 1 22 TRP H H 0.942 -17.161 -4.144 . . . 1.0 . . . . . . . . . . . . B . 47 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 840 . 2 1 22 TRP HA H -1.447 -15.582 -4.249 . . . 1.0 . . . . . . . . . . . . B . 47 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 841 . 2 1 22 TRP HB2 H -0.261 -15.563 -6.598 . . . 1.0 . . . . . . . . . . . . B . 47 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 842 . 2 1 22 TRP HB3 H -1.065 -17.117 -6.719 . . . 1.0 . . . . . . . . . . . . B . 47 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 843 . 2 1 22 TRP HD1 H -3.688 -17.125 -7.030 . . . 1.0 . . . . . . . . . . . . B . 47 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 844 . 2 1 22 TRP HE1 H -5.409 -15.253 -7.465 . . . 1.0 . . . . . . . . . . . . B . 47 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 845 . 2 1 22 TRP HE3 H -0.743 -13.144 -5.997 . . . 1.0 . . . . . . . . . . . . B . 47 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 846 . 2 1 22 TRP HH2 H -4.010 -10.515 -6.845 . . . 1.0 . . . . . . . . . . . . B . 47 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 847 . 2 1 22 TRP HZ2 H -5.481 -12.416 -7.365 . . . 1.0 . . . . . . . . . . . . B . 47 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 848 . 2 1 22 TRP HZ3 H -1.683 -10.864 -6.177 . . . 1.0 . . . . . . . . . . . . B . 47 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 849 . 2 1 22 TRP N N 0.457 -16.330 -4.358 . . . 1.0 . . . . . . . . . . . . B . 47 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 850 . 2 1 22 TRP NE1 N -4.484 -15.092 -7.186 . . . 1.0 . . . . . . . . . . . . B . 47 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 851 . 2 1 22 TRP O O -1.396 -18.726 -4.985 . . . 1.0 . . . . . . . . . . . . B . 47 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 852 . 2 1 23 . C C -2.173 -19.155 -1.439 . . . 1.0 . . . . . . . . . . . . B . 48 DLE C . . . . . . . . . rr_1kqe 1 . 1 . 853 . 2 1 23 . CA C -2.955 -18.752 -2.681 . . . 1.0 . . . . . . . . . . . . B . 48 DLE CA . . . . . . . . . rr_1kqe 1 . 1 . 854 . 2 1 23 . CB C -4.409 -18.414 -2.336 . . . 1.0 . . . . . . . . . . . . B . 48 DLE CB . . . . . . . . . rr_1kqe 1 . 1 . 855 . 2 1 23 . CD1 C -6.271 -16.834 -2.906 . . . 1.0 . . . . . . . . . . . . B . 48 DLE CD1 . . . . . . . . . rr_1kqe 1 . 1 . 856 . 2 1 23 . CD2 C -5.865 -18.837 -4.344 . . . 1.0 . . . . . . . . . . . . B . 48 DLE CD2 . . . . . . . . . rr_1kqe 1 . 1 . 857 . 2 1 23 . CG C -5.216 -17.772 -3.470 . . . 1.0 . . . . . . . . . . . . B . 48 DLE CG . . . . . . . . . rr_1kqe 1 . 1 . 858 . 2 1 23 . H H -2.360 -16.740 -2.831 . . . 1.0 . . . . . . . . . . . . B . 48 DLE H . . . . . . . . . rr_1kqe 1 . 1 . 859 . 2 1 23 . HA H -2.928 -19.562 -3.396 . . . 1.0 . . . . . . . . . . . . B . 48 DLE HA . . . . . . . . . rr_1kqe 1 . 1 . 860 . 2 1 23 . HB2 H -4.404 -17.729 -1.502 . . . 1.0 . . . . . . . . . . . . B . 48 DLE HB2 . . . . . . . . . rr_1kqe 1 . 1 . 861 . 2 1 23 . HB3 H -4.907 -19.322 -2.033 . . . 1.0 . . . . . . . . . . . . B . 48 DLE HB3 . . . . . . . . . rr_1kqe 1 . 1 . 862 . 2 1 23 . HD11 H -7.166 -17.394 -2.680 . . . 1.0 . . . . . . . . . . . . B . 48 DLE HD11 . . . . . . . . . rr_1kqe 1 . 1 . 863 . 2 1 23 . HD12 H -6.499 -16.069 -3.634 . . . 1.0 . . . . . . . . . . . . B . 48 DLE HD12 . . . . . . . . . rr_1kqe 1 . 1 . 864 . 2 1 23 . HD13 H -5.898 -16.374 -2.004 . . . 1.0 . . . . . . . . . . . . B . 48 DLE HD13 . . . . . . . . . rr_1kqe 1 . 1 . 865 . 2 1 23 . HD21 H -5.168 -19.151 -5.108 . . . 1.0 . . . . . . . . . . . . B . 48 DLE HD21 . . . . . . . . . rr_1kqe 1 . 1 . 866 . 2 1 23 . HD22 H -6.747 -18.425 -4.813 . . . 1.0 . . . . . . . . . . . . B . 48 DLE HD22 . . . . . . . . . rr_1kqe 1 . 1 . 867 . 2 1 23 . HD23 H -6.142 -19.684 -3.737 . . . 1.0 . . . . . . . . . . . . B . 48 DLE HD23 . . . . . . . . . rr_1kqe 1 . 1 . 868 . 2 1 23 . HG H -4.550 -17.190 -4.091 . . . 1.0 . . . . . . . . . . . . B . 48 DLE HG . . . . . . . . . rr_1kqe 1 . 1 . 869 . 2 1 23 . N N -2.292 -17.606 -3.268 . . . 1.0 . . . . . . . . . . . . B . 48 DLE N . . . . . . . . . rr_1kqe 1 . 1 . 870 . 2 1 23 . O O -1.124 -18.576 -1.163 . . . 1.0 . . . . . . . . . . . . B . 48 DLE O . . . . . . . . . rr_1kqe 1 . 1 . 871 . 2 1 24 TRP C C -0.929 -21.671 0.120 . . . 1.0 . . . . . . . . . . . . B . 49 TRP C . . . . . . . . . rr_1kqe 1 . 1 . 872 . 2 1 24 TRP CA C -1.931 -20.580 0.493 . . . 1.0 . . . . . . . . . . . . B . 49 TRP CA . . . . . . . . . rr_1kqe 1 . 1 . 873 . 2 1 24 TRP CB C -2.908 -21.087 1.554 . . . 1.0 . . . . . . . . . . . . B . 49 TRP CB . . . . . . . . . rr_1kqe 1 . 1 . 874 . 2 1 24 TRP CD1 C -5.196 -20.283 0.734 . . . 1.0 . . . . . . . . . . . . B . 49 TRP CD1 . . . . . . . . . rr_1kqe 1 . 1 . 875 . 2 1 24 TRP CD2 C -4.550 -19.374 2.671 . . . 1.0 . . . . . . . . . . . . B . 49 TRP CD2 . . . . . . . . . rr_1kqe 1 . 1 . 876 . 2 1 24 TRP CE2 C -5.820 -18.865 2.340 . . . 1.0 . . . . . . . . . . . . B . 49 TRP CE2 . . . . . . . . . rr_1kqe 1 . 1 . 877 . 2 1 24 TRP CE3 C -3.940 -18.941 3.851 . . . 1.0 . . . . . . . . . . . . B . 49 TRP CE3 . . . . . . . . . rr_1kqe 1 . 1 . 878 . 2 1 24 TRP CG C -4.174 -20.287 1.634 . . . 1.0 . . . . . . . . . . . . B . 49 TRP CG . . . . . . . . . rr_1kqe 1 . 1 . 879 . 2 1 24 TRP CH2 C -5.869 -17.544 4.295 . . . 1.0 . . . . . . . . . . . . B . 49 TRP CH2 . . . . . . . . . rr_1kqe 1 . 1 . 880 . 2 1 24 TRP CZ2 C -6.489 -17.949 3.145 . . . 1.0 . . . . . . . . . . . . B . 49 TRP CZ2 . . . . . . . . . rr_1kqe 1 . 1 . 881 . 2 1 24 TRP CZ3 C -4.603 -18.030 4.650 . . . 1.0 . . . . . . . . . . . . B . 49 TRP CZ3 . . . . . . . . . rr_1kqe 1 . 1 . 882 . 2 1 24 TRP H H -3.479 -20.584 -0.958 . . . 1.0 . . . . . . . . . . . . B . 49 TRP H . . . . . . . . . rr_1kqe 1 . 1 . 883 . 2 1 24 TRP HA H -1.389 -19.731 0.891 . . . 1.0 . . . . . . . . . . . . B . 49 TRP HA . . . . . . . . . rr_1kqe 1 . 1 . 884 . 2 1 24 TRP HB2 H -3.173 -22.109 1.329 . . . 1.0 . . . . . . . . . . . . B . 49 TRP HB2 . . . . . . . . . rr_1kqe 1 . 1 . 885 . 2 1 24 TRP HB3 H -2.428 -21.050 2.521 . . . 1.0 . . . . . . . . . . . . B . 49 TRP HB3 . . . . . . . . . rr_1kqe 1 . 1 . 886 . 2 1 24 TRP HD1 H -5.207 -20.867 -0.171 . . . 1.0 . . . . . . . . . . . . B . 49 TRP HD1 . . . . . . . . . rr_1kqe 1 . 1 . 887 . 2 1 24 TRP HE1 H -7.035 -19.269 0.678 . . . 1.0 . . . . . . . . . . . . B . 49 TRP HE1 . . . . . . . . . rr_1kqe 1 . 1 . 888 . 2 1 24 TRP HE3 H -2.964 -19.300 4.136 . . . 1.0 . . . . . . . . . . . . B . 49 TRP HE3 . . . . . . . . . rr_1kqe 1 . 1 . 889 . 2 1 24 TRP HH2 H -6.351 -16.833 4.948 . . . 1.0 . . . . . . . . . . . . B . 49 TRP HH2 . . . . . . . . . rr_1kqe 1 . 1 . 890 . 2 1 24 TRP HZ2 H -7.464 -17.565 2.887 . . . 1.0 . . . . . . . . . . . . B . 49 TRP HZ2 . . . . . . . . . rr_1kqe 1 . 1 . 891 . 2 1 24 TRP HZ3 H -4.147 -17.686 5.566 . . . 1.0 . . . . . . . . . . . . B . 49 TRP HZ3 . . . . . . . . . rr_1kqe 1 . 1 . 892 . 2 1 24 TRP N N -2.648 -20.138 -0.698 . . . 1.0 . . . . . . . . . . . . B . 49 TRP N . . . . . . . . . rr_1kqe 1 . 1 . 893 . 2 1 24 TRP NE1 N -6.194 -19.436 1.153 . . . 1.0 . . . . . . . . . . . . B . 49 TRP NE1 . . . . . . . . . rr_1kqe 1 . 1 . 894 . 2 1 24 TRP O O -0.205 -21.522 -0.870 . . . 1.0 . . . . . . . . . . . . B . 49 TRP O . . . . . . . . . rr_1kqe 1 . 1 . 895 . 2 1 25 ETA CA C 0.519 -23.390 1.031 . . . 1.0 . . . . . . . . . . . . B . 50 ETA CA . . . . . . . . . rr_1kqe 1 . 1 . 896 . 2 1 25 ETA CB C 1.878 -22.675 0.887 . . . 1.0 . . . . . . . . . . . . B . 50 ETA CB . . . . . . . . . rr_1kqe 1 . 1 . 897 . 2 1 25 ETA HA1 H 0.325 -23.984 0.139 . . . 1.0 . . . . . . . . . . . . B . 50 ETA HA1 . . . . . . . . . rr_1kqe 1 . 1 . 898 . 2 1 25 ETA HA2 H 0.541 -24.041 1.905 . . . 1.0 . . . . . . . . . . . . B . 50 ETA HA2 . . . . . . . . . rr_1kqe 1 . 1 . 899 . 2 1 25 ETA HB1 H 2.296 -22.484 1.876 . . . 1.0 . . . . . . . . . . . . B . 50 ETA HB1 . . . . . . . . . rr_1kqe 1 . 1 . 900 . 2 1 25 ETA HB2 H 1.742 -21.727 0.362 . . . 1.0 . . . . . . . . . . . . B . 50 ETA HB2 . . . . . . . . . rr_1kqe 1 . 1 . 901 . 2 1 25 ETA HN1 H -0.978 -22.127 2.103 . . . 1.0 . . . . . . . . . . . . B . 50 ETA HN1 . . . . . . . . . rr_1kqe 1 . 1 . 902 . 2 1 25 ETA HO H 2.455 -23.596 -0.755 . . . 1.0 . . . . . . . . . . . . B . 50 ETA HO . . . . . . . . . rr_1kqe 1 . 1 . 903 . 2 1 25 ETA N N -0.566 -22.381 1.196 . . . 1.0 . . . . . . . . . . . . B . 50 ETA N . . . . . . . . . rr_1kqe 1 . 1 . 904 . 2 1 25 ETA O O 2.775 -23.503 0.145 . . . 1.0 . . . . . . . . . . . . B . 50 ETA O . . . . . . . . . rr_1kqe 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_1kqe _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 1kqe.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1kqe 1 1 1kqe.mr . . XPLOR/CNS 2 distance NOE simple 2500 rr_1kqe 1 1 1kqe.mr . . XPLOR/CNS 3 distance 'hydrogen bond' simple 72 rr_1kqe 1 1 1kqe.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1kqe 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1kqe _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1kqe 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 2 2 TRP HA H . . . 1 1 2 2 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . A . 2 TRP HA . . A . 2 TRP HB3 . A . 2 . HA . . . A . 2 . HB1 . . rr_1kqe 1 2 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . A . 2 TRP HA . . A . 2 TRP HB2 . A . 2 . HA . . . A . 2 . HB2 . . rr_1kqe 1 3 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HA . . A . 2 TRP HE3 . A . 2 . HA . . . A . 2 . HE3 . . rr_1kqe 1 4 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP H H . . . . . 3.25 1.45 4.00 . . . . . A . 2 TRP HA . . A . 2 TRP H . A . 2 . HA . . . A . 2 . HN . . rr_1kqe 1 5 1 . . 2 1 2 2 TRP HA H . . . 1 1 4 4 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HA . . A . 4 TRP HB3 . B . 2 . HA . . . A . 4 . HB1 . . rr_1kqe 1 6 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . A . 2 TRP HA . . A . 2 TRP HB3 . A . 2 . HA . . . A . 2 . HB1 . . rr_1kqe 1 7 1 . . 1 1 2 2 TRP HB3 H . . . 1 1 2 2 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HB3 . . A . 2 TRP HE3 . A . 2 . HB1 . . . A . 2 . HE3 . . rr_1kqe 1 8 1 . . 1 1 2 2 TRP HB3 H . . . 1 1 2 2 TRP H H . . . . . 3.25 1.45 4.00 . . . . . A . 2 TRP HB3 . . A . 2 TRP H . A . 2 . HB1 . . . A . 2 . HN . . rr_1kqe 1 9 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . A . 2 TRP HA . . A . 2 TRP HB2 . A . 2 . HA . . . A . 2 . HB2 . . rr_1kqe 1 10 1 . . 1 1 2 2 TRP HB2 H . . . 1 1 2 2 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HB2 . . A . 2 TRP HE3 . A . 2 . HB2 . . . A . 2 . HE3 . . rr_1kqe 1 11 1 . . 1 1 2 2 TRP HB2 H . . . 1 1 2 2 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HB2 . . A . 2 TRP H . A . 2 . HB2 . . . A . 2 . HN . . rr_1kqe 1 12 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . A . 2 TRP HA . . A . 2 TRP HD1 . A . 2 . HA . . . A . 2 . HD1 . . rr_1kqe 1 13 1 . . 1 1 2 2 TRP HB3 H . . . 1 1 2 2 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HB3 . . A . 2 TRP HD1 . A . 2 . HB1 . . . A . 2 . HD1 . . rr_1kqe 1 14 1 . . 1 1 2 2 TRP HB2 H . . . 1 1 2 2 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HB2 . . A . 2 TRP HD1 . A . 2 . HB2 . . . A . 2 . HD1 . . rr_1kqe 1 15 1 . . 1 1 2 2 TRP HD1 H . . . 1 1 2 2 TRP HE1 H . . . . . 3.25 1.45 4.00 . . . . . A . 2 TRP HD1 . . A . 2 TRP HE1 . A . 2 . HD1 . . . A . 2 . HE1 . . rr_1kqe 1 16 1 . . 1 1 4 4 TRP H H . . . 2 1 2 2 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . A . 4 TRP H . . B . 27 TRP HD1 . A . 4 . HN . . . B . 2 . HD1 . . rr_1kqe 1 17 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HA . . A . 2 TRP HE3 . A . 2 . HA . . . A . 2 . HE3 . . rr_1kqe 1 18 1 . . 1 1 2 2 TRP HB3 H . . . 1 1 2 2 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HB3 . . A . 2 TRP HE3 . A . 2 . HB1 . . . A . 2 . HE3 . . rr_1kqe 1 19 1 . . 1 1 2 2 TRP HB2 H . . . 1 1 2 2 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HB2 . . A . 2 TRP HE3 . A . 2 . HB2 . . . A . 2 . HE3 . . rr_1kqe 1 20 1 . . 1 1 2 2 TRP HE3 H . . . 1 1 2 2 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HE3 . . A . 2 TRP HZ3 . A . 2 . HE3 . . . A . 2 . HZ3 . . rr_1kqe 1 21 1 . . 1 1 4 4 TRP HB3 H . . . 2 1 2 2 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HB3 . . B . 27 TRP HE3 . A . 4 . HB1 . . . B . 2 . HE3 . . rr_1kqe 1 22 1 . . 1 1 4 4 TRP H H . . . 2 1 2 2 TRP HE3 H . . . . . 4.50 2.70 5.00 . . . . . A . 4 TRP H . . B . 27 TRP HE3 . A . 4 . HN . . . B . 2 . HE3 . . rr_1kqe 1 23 1 . . 1 1 2 2 TRP HA H . . . 1 1 2 2 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HA . . A . 2 TRP H . A . 2 . HA . . . A . 2 . HN . . rr_1kqe 1 24 1 . . 1 1 2 2 TRP HB3 H . . . 1 1 2 2 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HB3 . . A . 2 TRP H . A . 2 . HB1 . . . A . 2 . HN . . rr_1kqe 1 25 1 . . 1 1 2 2 TRP HB2 H . . . 1 1 2 2 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HB2 . . A . 2 TRP H . A . 2 . HB2 . . . A . 2 . HN . . rr_1kqe 1 26 1 . . 1 1 4 4 TRP H H . . . 2 1 2 2 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 4 TRP H . . B . 27 TRP H . A . 4 . HN . . . B . 2 . HN . . rr_1kqe 1 27 1 . . 1 1 2 2 TRP HE3 H . . . 1 1 2 2 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . A . 2 TRP HE3 . . A . 2 TRP HZ3 . A . 2 . HE3 . . . A . 2 . HZ3 . . rr_1kqe 1 28 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HB3 . . A . 4 TRP HA . A . 4 . HB1 . . . A . 4 . HA . . rr_1kqe 1 29 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . A . 4 TRP HA . . A . 4 TRP HB2 . A . 4 . HA . . . A . 4 . HB2 . . rr_1kqe 1 30 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HA . . A . 4 TRP HE3 . A . 4 . HA . . . A . 4 . HE3 . . rr_1kqe 1 31 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP H . . A . 4 TRP HA . A . 4 . HN . . . A . 4 . HA . . rr_1kqe 1 32 1 . . 1 1 2 2 TRP HA H . . . 2 1 4 4 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HA . . B . 29 TRP HB3 . A . 2 . HA . . . B . 4 . HB1 . . rr_1kqe 1 33 1 . . 1 1 2 2 TRP HE3 H . . . 2 1 4 4 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HE3 . . B . 29 TRP HB3 . A . 2 . HE3 . . . B . 4 . HB1 . . rr_1kqe 1 34 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HB3 . . A . 4 TRP HA . A . 4 . HB1 . . . A . 4 . HA . . rr_1kqe 1 35 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . A . 4 TRP HB3 . . A . 4 TRP HB2 . A . 4 . HB1 . . . A . 4 . HB2 . . rr_1kqe 1 36 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HB3 . . A . 4 TRP HD1 . A . 4 . HB1 . . . A . 4 . HD1 . . rr_1kqe 1 37 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HB3 . . A . 4 TRP HE3 . A . 4 . HB1 . . . A . 4 . HE3 . . rr_1kqe 1 38 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP H . . A . 4 TRP HB3 . A . 4 . HN . . . A . 4 . HB1 . . rr_1kqe 1 39 1 . . 1 1 6 6 TRP H H . . . 2 1 4 4 TRP HB3 H . . . . . 4.25 2.45 5.00 . . . . . A . 6 TRP H . . B . 29 TRP HB3 . A . 6 . HN . . . B . 4 . HB1 . . rr_1kqe 1 40 1 . . 1 1 2 2 TRP HE3 H . . . 2 1 4 4 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HE3 . . B . 29 TRP HB2 . A . 2 . HE3 . . . B . 4 . HB2 . . rr_1kqe 1 41 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . A . 4 TRP HA . . A . 4 TRP HB2 . A . 4 . HA . . . A . 4 . HB2 . . rr_1kqe 1 42 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . A . 4 TRP HB3 . . A . 4 TRP HB2 . A . 4 . HB1 . . . A . 4 . HB2 . . rr_1kqe 1 43 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HD1 . . A . 4 TRP HB2 . A . 4 . HD1 . . . A . 4 . HB2 . . rr_1kqe 1 44 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 4 4 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HB2 . . A . 4 TRP HE3 . A . 4 . HB2 . . . A . 4 . HE3 . . rr_1kqe 1 45 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP H . . A . 4 TRP HB2 . A . 4 . HN . . . A . 4 . HB2 . . rr_1kqe 1 46 1 . . 1 1 6 6 TRP H H . . . 2 1 4 4 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP H . . B . 29 TRP HB2 . A . 6 . HN . . . B . 4 . HB2 . . rr_1kqe 1 47 1 . . 1 1 2 2 TRP HA H . . . 2 1 4 4 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . A . 2 TRP HA . . B . 29 TRP HD1 . A . 2 . HA . . . B . 4 . HD1 . . rr_1kqe 1 48 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HA . . A . 4 TRP HD1 . A . 4 . HA . . . A . 4 . HD1 . . rr_1kqe 1 49 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HB3 . . A . 4 TRP HD1 . A . 4 . HB1 . . . A . 4 . HD1 . . rr_1kqe 1 50 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HD1 . . A . 4 TRP HB2 . A . 4 . HD1 . . . A . 4 . HB2 . . rr_1kqe 1 51 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 4 TRP HD1 . . A . 4 TRP HE1 . A . 4 . HD1 . . . A . 4 . HE1 . . rr_1kqe 1 52 1 OR . 2 1 4 4 TRP HD1 H . . . 1 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 29 TRP HD1 . . A . 6 TRP HB2 . B . 4 . HD1 . . . A . 6 . HB* . . rr_1kqe 1 52 2 OR . 2 1 4 4 TRP HD1 H . . . 1 1 6 6 TRP HB3 H . . . . . 4.40 2.60 4.90 . . . . . B . 29 TRP HD1 . . A . 6 TRP HB3 . B . 4 . HD1 . . . A . 6 . HB* . . rr_1kqe 1 53 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 4 TRP HD1 . . A . 4 TRP HE1 . A . 4 . HD1 . . . A . 4 . HE1 . . rr_1kqe 1 54 1 OR . 2 1 4 4 TRP HE1 H . . . 1 1 6 6 TRP HB2 H . . . . . 5.15 3.35 5.90 . . . . . B . 29 TRP HE1 . . A . 6 TRP HB2 . B . 4 . HE1 . . . A . 6 . HB* . . rr_1kqe 1 54 2 OR . 1 1 6 6 TRP HB3 H . . . 2 1 4 4 TRP HE1 H . . . . . 5.15 3.35 5.90 . . . . . A . 6 TRP HB3 . . B . 29 TRP HE1 . A . 6 . HB* . . . B . 4 . HE1 . . rr_1kqe 1 55 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HA . . A . 4 TRP HE3 . A . 4 . HA . . . A . 4 . HE3 . . rr_1kqe 1 56 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HB3 . . A . 4 TRP HE3 . A . 4 . HB1 . . . A . 4 . HE3 . . rr_1kqe 1 57 1 . . 1 1 4 4 TRP HB2 H . . . 1 1 4 4 TRP HE3 H . . . . . 3.25 1.45 4.00 . . . . . A . 4 TRP HB2 . . A . 4 TRP HE3 . A . 4 . HB2 . . . A . 4 . HE3 . . rr_1kqe 1 58 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 4 4 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HE3 . . A . 4 TRP HZ3 . A . 4 . HE3 . . . A . 4 . HZ3 . . rr_1kqe 1 59 1 . . 1 1 6 6 TRP H H . . . 2 1 4 4 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP H . . B . 29 TRP HE3 . A . 6 . HN . . . B . 4 . HE3 . . rr_1kqe 1 60 1 . . 1 1 4 4 TRP H H . . . 2 1 2 2 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP H . . B . 27 TRP HA . A . 4 . HN . . . B . 2 . HA . . rr_1kqe 1 61 1 . . 1 1 2 2 TRP HE3 H . . . 2 1 4 4 TRP H H . . . . . 4.50 2.70 5.00 . . . . . A . 2 TRP HE3 . . B . 29 TRP H . A . 2 . HE3 . . . B . 4 . HN . . rr_1kqe 1 62 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP H . . A . 4 TRP HA . A . 4 . HN . . . A . 4 . HA . . rr_1kqe 1 63 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP H . . A . 4 TRP HB3 . A . 4 . HN . . . A . 4 . HB1 . . rr_1kqe 1 64 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP H . . A . 4 TRP HB2 . A . 4 . HN . . . A . 4 . HB2 . . rr_1kqe 1 65 1 . . 1 1 6 6 TRP H H . . . 2 1 4 4 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP H . . B . 29 TRP H . A . 6 . HN . . . B . 4 . HN . . rr_1kqe 1 66 1 . . 1 1 4 4 TRP HE1 H . . . 1 1 4 4 TRP HZ2 H . . . . . 4.25 2.45 5.00 . . . . . A . 4 TRP HE1 . . A . 4 TRP HZ2 . A . 4 . HE1 . . . A . 4 . HZ2 . . rr_1kqe 1 67 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 4 4 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HE3 . . A . 4 TRP HZ3 . A . 4 . HE3 . . . A . 4 . HZ3 . . rr_1kqe 1 68 1 OR . 1 1 6 6 TRP HA H . . . 1 1 6 6 TRP HB2 H . . . . . 2.90 1.10 3.65 . . . . . A . 6 TRP HA . . A . 6 TRP HB2 . A . 6 . HA . . . A . 6 . HB* . . rr_1kqe 1 68 2 OR . 1 1 6 6 TRP HB3 H . . . 1 1 6 6 TRP HA H . . . . . 2.90 1.10 3.65 . . . . . A . 6 TRP HB3 . . A . 6 TRP HA . A . 6 . HB* . . . A . 6 . HA . . rr_1kqe 1 69 1 . . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HD1 . . A . 6 TRP HA . A . 6 . HD1 . . . A . 6 . HA . . rr_1kqe 1 70 1 . . 1 1 6 6 TRP HA H . . . 1 1 6 6 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HA . . A . 6 TRP HE3 . A . 6 . HA . . . A . 6 . HE3 . . rr_1kqe 1 71 1 . . 1 1 6 6 TRP H H . . . 1 1 6 6 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 6 TRP H . . A . 6 TRP HA . A . 6 . HN . . . A . 6 . HA . . rr_1kqe 1 72 1 . . 1 1 8 8 TRP HB3 H . . . 2 1 6 6 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB3 . . B . 31 TRP HA . A . 8 . HB1 . . . B . 6 . HA . . rr_1kqe 1 73 1 . . 2 1 6 6 TRP HA H . . . 1 1 8 8 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 31 TRP HA . . A . 8 TRP HB2 . B . 6 . HA . . . A . 8 . HB2 . . rr_1kqe 1 74 1 . . 1 1 8 8 TRP H H . . . 2 1 6 6 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 8 TRP H . . B . 31 TRP HA . A . 8 . HN . . . B . 6 . HA . . rr_1kqe 1 75 1 OR . 1 1 4 4 TRP HE3 H . . . 2 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 4 TRP HE3 . . B . 31 TRP HB2 . A . 4 . HE3 . . . B . 6 . HB* . . rr_1kqe 1 75 2 OR . 1 1 4 4 TRP HE3 H . . . 2 1 6 6 TRP HB3 H . . . . . 4.40 2.60 4.90 . . . . . A . 4 TRP HE3 . . B . 31 TRP HB3 . A . 4 . HE3 . . . B . 6 . HB* . . rr_1kqe 1 76 1 OR . 1 1 6 6 TRP HA H . . . 1 1 6 6 TRP HB2 H . . . . . 2.90 1.10 3.65 . . . . . A . 6 TRP HA . . A . 6 TRP HB2 . A . 6 . HA . . . A . 6 . HB* . . rr_1kqe 1 76 2 OR . 1 1 6 6 TRP HB3 H . . . 1 1 6 6 TRP HA H . . . . . 2.90 1.10 3.65 . . . . . A . 6 TRP HB3 . . A . 6 TRP HA . A . 6 . HB* . . . A . 6 . HA . . rr_1kqe 1 77 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . A . 6 TRP HD1 . . A . 6 TRP HB2 . A . 6 . HD1 . . . A . 6 . HB* . . rr_1kqe 1 77 2 OR . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HB3 H . . . . . 4.15 2.35 4.90 . . . . . A . 6 TRP HD1 . . A . 6 TRP HB3 . A . 6 . HD1 . . . A . 6 . HB* . . rr_1kqe 1 78 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 6 TRP HE3 . . A . 6 TRP HB2 . A . 6 . HE3 . . . A . 6 . HB* . . rr_1kqe 1 78 2 OR . 1 1 6 6 TRP HB3 H . . . 1 1 6 6 TRP HE3 H . . . . . 4.40 2.60 4.90 . . . . . A . 6 TRP HB3 . . A . 6 TRP HE3 . A . 6 . HB* . . . A . 6 . HE3 . . rr_1kqe 1 79 1 OR . 1 1 6 6 TRP H H . . . 1 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 6 TRP H . . A . 6 TRP HB2 . A . 6 . HN . . . A . 6 . HB* . . rr_1kqe 1 79 2 OR . 1 1 6 6 TRP H H . . . 1 1 6 6 TRP HB3 H . . . . . 4.40 2.60 4.90 . . . . . A . 6 TRP H . . A . 6 TRP HB3 . A . 6 . HN . . . A . 6 . HB* . . rr_1kqe 1 80 1 OR . 1 1 8 8 TRP H H . . . 2 1 6 6 TRP HB2 H . . . . . 5.40 3.60 5.90 . . . . . A . 8 TRP H . . B . 31 TRP HB2 . A . 8 . HN . . . B . 6 . HB* . . rr_1kqe 1 80 2 OR . 1 1 8 8 TRP H H . . . 2 1 6 6 TRP HB3 H . . . . . 5.40 3.60 5.90 . . . . . A . 8 TRP H . . B . 31 TRP HB3 . A . 8 . HN . . . B . 6 . HB* . . rr_1kqe 1 81 1 . . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HD1 . . A . 6 TRP HA . A . 6 . HD1 . . . A . 6 . HA . . rr_1kqe 1 82 1 OR . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . A . 6 TRP HD1 . . A . 6 TRP HB2 . A . 6 . HD1 . . . A . 6 . HB* . . rr_1kqe 1 82 2 OR . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HB3 H . . . . . 4.15 2.35 4.90 . . . . . A . 6 TRP HD1 . . A . 6 TRP HB3 . A . 6 . HD1 . . . A . 6 . HB* . . rr_1kqe 1 83 1 . . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 6 TRP HD1 . . A . 6 TRP HE1 . A . 6 . HD1 . . . A . 6 . HE1 . . rr_1kqe 1 84 1 . . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 6 TRP HD1 . . A . 6 TRP H . A . 6 . HD1 . . . A . 6 . HN . . rr_1kqe 1 85 1 . . 1 1 8 8 TRP HB3 H . . . 2 1 6 6 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB3 . . B . 31 TRP HD1 . A . 8 . HB1 . . . B . 6 . HD1 . . rr_1kqe 1 86 1 . . 1 1 8 8 TRP HB2 H . . . 2 1 6 6 TRP HD1 H . . . . . 4.50 2.70 5.00 . . . . . A . 8 TRP HB2 . . B . 31 TRP HD1 . A . 8 . HB2 . . . B . 6 . HD1 . . rr_1kqe 1 87 1 . . 1 1 8 8 TRP H H . . . 2 1 6 6 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . A . 8 TRP H . . B . 31 TRP HD1 . A . 8 . HN . . . B . 6 . HD1 . . rr_1kqe 1 88 1 OR . 1 1 6 6 TRP HE1 H . . . 1 1 6 6 TRP HB2 H . . . . . 5.15 3.35 5.90 . . . . . A . 6 TRP HE1 . . A . 6 TRP HB2 . A . 6 . HE1 . . . A . 6 . HB* . . rr_1kqe 1 88 2 OR . 1 1 6 6 TRP HE1 H . . . 1 1 6 6 TRP HB3 H . . . . . 5.15 3.35 5.90 . . . . . A . 6 TRP HE1 . . A . 6 TRP HB3 . A . 6 . HE1 . . . A . 6 . HB* . . rr_1kqe 1 89 1 . . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 6 TRP HD1 . . A . 6 TRP HE1 . A . 6 . HD1 . . . A . 6 . HE1 . . rr_1kqe 1 90 1 . . 1 1 6 6 TRP HA H . . . 1 1 6 6 TRP HE3 H . . . . . 4.50 2.70 5.00 . . . . . A . 6 TRP HA . . A . 6 TRP HE3 . A . 6 . HA . . . A . 6 . HE3 . . rr_1kqe 1 91 1 OR . 1 1 6 6 TRP HE3 H . . . 1 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 6 TRP HE3 . . A . 6 TRP HB2 . A . 6 . HE3 . . . A . 6 . HB* . . rr_1kqe 1 91 2 OR . 1 1 6 6 TRP HB3 H . . . 1 1 6 6 TRP HE3 H . . . . . 4.40 2.60 4.90 . . . . . A . 6 TRP HB3 . . A . 6 TRP HE3 . A . 6 . HB* . . . A . 6 . HE3 . . rr_1kqe 1 92 1 . . 1 1 6 6 TRP HE3 H . . . 1 1 6 6 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HE3 . . A . 6 TRP HZ3 . A . 6 . HE3 . . . A . 6 . HZ3 . . rr_1kqe 1 93 1 . . 1 1 8 8 TRP HB3 H . . . 2 1 6 6 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB3 . . B . 31 TRP HE3 . A . 8 . HB1 . . . B . 6 . HE3 . . rr_1kqe 1 94 1 . . 1 1 8 8 TRP HB2 H . . . 2 1 6 6 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB2 . . B . 31 TRP HE3 . A . 8 . HB2 . . . B . 6 . HE3 . . rr_1kqe 1 95 1 . . 1 1 8 8 TRP H H . . . 2 1 6 6 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP H . . B . 31 TRP HE3 . A . 8 . HN . . . B . 6 . HE3 . . rr_1kqe 1 96 1 . . 1 1 4 4 TRP HE3 H . . . 2 1 6 6 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HE3 . . B . 31 TRP H . A . 4 . HE3 . . . B . 6 . HN . . rr_1kqe 1 97 1 . . 1 1 6 6 TRP H H . . . 1 1 6 6 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 6 TRP H . . A . 6 TRP HA . A . 6 . HN . . . A . 6 . HA . . rr_1kqe 1 98 1 OR . 1 1 6 6 TRP H H . . . 1 1 6 6 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . A . 6 TRP H . . A . 6 TRP HB2 . A . 6 . HN . . . A . 6 . HB* . . rr_1kqe 1 98 2 OR . 1 1 6 6 TRP H H . . . 1 1 6 6 TRP HB3 H . . . . . 4.15 2.35 4.90 . . . . . A . 6 TRP H . . A . 6 TRP HB3 . A . 6 . HN . . . A . 6 . HB* . . rr_1kqe 1 99 1 . . 1 1 6 6 TRP HD1 H . . . 1 1 6 6 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 6 TRP HD1 . . A . 6 TRP H . A . 6 . HD1 . . . A . 6 . HN . . rr_1kqe 1 100 1 . . 1 1 8 8 TRP H H . . . 2 1 6 6 TRP H H . . . . . 4.50 2.70 5.00 . . . . . A . 8 TRP H . . B . 31 TRP H . A . 8 . HN . . . B . 6 . HN . . rr_1kqe 1 101 1 . . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB3 . . A . 8 TRP HA . A . 8 . HB1 . . . A . 8 . HA . . rr_1kqe 1 102 1 . . 1 1 8 8 TRP HB2 H . . . 1 1 8 8 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 8 TRP HB2 . . A . 8 TRP HA . A . 8 . HB2 . . . A . 8 . HA . . rr_1kqe 1 103 1 . . 1 1 8 8 TRP HA H . . . 1 1 8 8 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HA . . A . 8 TRP HE3 . A . 8 . HA . . . A . 8 . HE3 . . rr_1kqe 1 104 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP H . . A . 8 TRP HA . A . 8 . HN . . . A . 8 . HA . . rr_1kqe 1 105 1 . . 2 1 8 8 TRP HA H . . . 1 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HA . . A . 10 VAL HB . B . 8 . HA . . . A . 10 . HB* . . rr_1kqe 1 106 1 . . 2 1 8 8 TRP HA H . . . 1 1 10 10 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . B . 33 TRP HA . . A . 10 VAL MG2 . B . 8 . HA . . . A . 10 . HG2* . . rr_1kqe 1 107 1 . . 2 1 8 8 TRP HA H . . . 1 1 10 10 VAL H H . . . . . 3.25 1.45 4.00 . . . . . B . 33 TRP HA . . A . 10 VAL H . B . 8 . HA . . . A . 10 . HN . . rr_1kqe 1 108 1 . . 1 1 6 6 TRP HD1 H . . . 2 1 8 8 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . A . 6 TRP HD1 . . B . 33 TRP HB3 . A . 6 . HD1 . . . B . 8 . HB1 . . rr_1kqe 1 109 1 . . 1 1 6 6 TRP HE3 H . . . 2 1 8 8 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HE3 . . B . 33 TRP HB3 . A . 6 . HE3 . . . B . 8 . HB1 . . rr_1kqe 1 110 1 . . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 8 TRP HB3 . . A . 8 TRP HA . A . 8 . HB1 . . . A . 8 . HA . . rr_1kqe 1 111 1 . . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . A . 8 TRP HB3 . . A . 8 TRP HB2 . A . 8 . HB1 . . . A . 8 . HB2 . . rr_1kqe 1 112 1 . . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB3 . . A . 8 TRP HE3 . A . 8 . HB1 . . . A . 8 . HE3 . . rr_1kqe 1 113 1 . . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB3 . . A . 8 TRP H . A . 8 . HB1 . . . A . 8 . HN . . rr_1kqe 1 114 1 . . 1 1 10 10 VAL H H . . . 2 1 8 8 TRP HB3 H . . . . . 4.50 2.70 5.00 . . . . . A . 10 VAL H . . B . 33 TRP HB3 . A . 10 . HN . . . B . 8 . HB1 . . rr_1kqe 1 115 1 . . 1 1 6 6 TRP HD1 H . . . 2 1 8 8 TRP HB2 H . . . . . 4.50 2.70 5.00 . . . . . A . 6 TRP HD1 . . B . 33 TRP HB2 . A . 6 . HD1 . . . B . 8 . HB2 . . rr_1kqe 1 116 1 . . 1 1 6 6 TRP HE3 H . . . 2 1 8 8 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HE3 . . B . 33 TRP HB2 . A . 6 . HE3 . . . B . 8 . HB2 . . rr_1kqe 1 117 1 . . 1 1 8 8 TRP HB2 H . . . 1 1 8 8 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 8 TRP HB2 . . A . 8 TRP HA . A . 8 . HB2 . . . A . 8 . HA . . rr_1kqe 1 118 1 . . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . A . 8 TRP HB3 . . A . 8 TRP HB2 . A . 8 . HB1 . . . A . 8 . HB2 . . rr_1kqe 1 119 1 . . 1 1 8 8 TRP HB2 H . . . 1 1 8 8 TRP HE3 H . . . . . 3.25 1.45 4.00 . . . . . A . 8 TRP HB2 . . A . 8 TRP HE3 . A . 8 . HB2 . . . A . 8 . HE3 . . rr_1kqe 1 120 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP H . . A . 8 TRP HB2 . A . 8 . HN . . . A . 8 . HB2 . . rr_1kqe 1 121 1 . . 1 1 10 10 VAL H H . . . 2 1 8 8 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL H . . B . 33 TRP HB2 . A . 10 . HN . . . B . 8 . HB2 . . rr_1kqe 1 122 1 OR . 2 1 8 8 TRP HD1 H . . . 1 1 6 6 TRP HB2 H . . . . . 5.40 3.60 5.90 . . . . . B . 33 TRP HD1 . . A . 6 TRP HB2 . B . 8 . HD1 . . . A . 6 . HB* . . rr_1kqe 1 122 2 OR . 1 1 6 6 TRP HB3 H . . . 2 1 8 8 TRP HD1 H . . . . . 5.40 3.60 5.90 . . . . . A . 6 TRP HB3 . . B . 33 TRP HD1 . A . 6 . HB* . . . B . 8 . HD1 . . rr_1kqe 1 123 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HA H . . . . . 4.50 2.70 5.00 . . . . . A . 8 TRP HD1 . . A . 8 TRP HA . A . 8 . HD1 . . . A . 8 . HA . . rr_1kqe 1 124 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HD1 . . A . 8 TRP HB3 . A . 8 . HD1 . . . A . 8 . HB1 . . rr_1kqe 1 125 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HD1 . . A . 8 TRP HB2 . A . 8 . HD1 . . . A . 8 . HB2 . . rr_1kqe 1 126 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 8 TRP HD1 . . A . 8 TRP HE1 . A . 8 . HD1 . . . A . 8 . HE1 . . rr_1kqe 1 127 1 . . 1 1 10 10 VAL MG2 H . . . 2 1 8 8 TRP HD1 H . . . . . 6.00 4.20 6.50 . . . . . A . 10 VAL MG2 . . B . 33 TRP HD1 . A . 10 . HG2* . . . B . 8 . HD1 . . rr_1kqe 1 128 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 8 TRP HD1 . . A . 8 TRP HE1 . A . 8 . HD1 . . . A . 8 . HE1 . . rr_1kqe 1 129 1 . . 1 1 8 8 TRP HA H . . . 1 1 8 8 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HA . . A . 8 TRP HE3 . A . 8 . HA . . . A . 8 . HE3 . . rr_1kqe 1 130 1 . . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB3 . . A . 8 TRP HE3 . A . 8 . HB1 . . . A . 8 . HE3 . . rr_1kqe 1 131 1 . . 1 1 8 8 TRP HB2 H . . . 1 1 8 8 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB2 . . A . 8 TRP HE3 . A . 8 . HB2 . . . A . 8 . HE3 . . rr_1kqe 1 132 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HE3 H . . . . . 4.25 2.45 5.00 . . . . . A . 8 TRP H . . A . 8 TRP HE3 . A . 8 . HN . . . A . 8 . HE3 . . rr_1kqe 1 133 1 . . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . A . 8 TRP HE3 . . A . 8 TRP HZ3 . A . 8 . HE3 . . . A . 8 . HZ3 . . rr_1kqe 1 134 1 . . 2 1 8 8 TRP HE3 H . . . 1 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HE3 . . A . 10 VAL HB . B . 8 . HE3 . . . A . 10 . HB . . rr_1kqe 1 135 1 . . 1 1 10 10 VAL MG2 H . . . 2 1 8 8 TRP HE3 H . . . . . 5.00 3.20 5.50 . . . . . A . 10 VAL MG2 . . B . 33 TRP HE3 . A . 10 . HG2* . . . B . 8 . HE3 . . rr_1kqe 1 136 1 OR . 2 1 8 8 TRP H H . . . 1 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 33 TRP H . . A . 6 TRP HB2 . B . 8 . HN . . . A . 6 . HB* . . rr_1kqe 1 136 2 OR . 1 1 6 6 TRP HB3 H . . . 2 1 8 8 TRP H H . . . . . 4.40 2.60 4.90 . . . . . A . 6 TRP HB3 . . B . 33 TRP H . A . 6 . HB* . . . B . 8 . HN . . rr_1kqe 1 137 1 . . 1 1 6 6 TRP HE3 H . . . 2 1 8 8 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HE3 . . B . 33 TRP H . A . 6 . HE3 . . . B . 8 . HN . . rr_1kqe 1 138 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 8 TRP H . . A . 8 TRP HA . A . 8 . HN . . . A . 8 . HA . . rr_1kqe 1 139 1 . . 1 1 8 8 TRP HB3 H . . . 1 1 8 8 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB3 . . A . 8 TRP H . A . 8 . HB1 . . . A . 8 . HN . . rr_1kqe 1 140 1 . . 1 1 8 8 TRP H H . . . 1 1 8 8 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP H . . A . 8 TRP HB2 . A . 8 . HN . . . A . 8 . HB2 . . rr_1kqe 1 141 1 . . 1 1 8 8 TRP HD1 H . . . 1 1 8 8 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 8 TRP HD1 . . A . 8 TRP H . A . 8 . HD1 . . . A . 8 . HN . . rr_1kqe 1 142 1 . . 1 1 8 8 TRP HA H . . . 1 1 8 8 TRP HZ3 H . . . . . 4.25 2.45 5.00 . . . . . A . 8 TRP HA . . A . 8 TRP HZ3 . A . 8 . HA . . . A . 8 . HZ3 . . rr_1kqe 1 143 1 . . 1 1 8 8 TRP HE3 H . . . 1 1 8 8 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . A . 8 TRP HE3 . . A . 8 TRP HZ3 . A . 8 . HE3 . . . A . 8 . HZ3 . . rr_1kqe 1 144 1 . . 1 1 10 10 VAL HB H . . . 2 1 8 8 TRP HZ3 H . . . . . 4.50 2.70 5.00 . . . . . A . 10 VAL HB . . B . 33 TRP HZ3 . A . 10 . HB . . . B . 8 . HZ3 . . rr_1kqe 1 145 1 . . 1 1 10 10 VAL MG2 H . . . 2 1 8 8 TRP HZ3 H . . . . . 5.00 3.20 5.50 . . . . . A . 10 VAL MG2 . . B . 33 TRP HZ3 . A . 10 . HG2* . . . B . 8 . HZ3 . . rr_1kqe 1 146 1 . . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL HA H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL HB . . A . 10 VAL HA . A . 10 . HB . . . A . 10 . HA . . rr_1kqe 1 147 1 . . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . A . 10 VAL HA . . A . 10 VAL MG1 . A . 10 . HA . . . A . 10 . HG1* . . rr_1kqe 1 148 1 . . 1 1 10 10 VAL MG2 H . . . 1 1 10 10 VAL HA H . . . . . 5.00 3.20 5.50 . . . . . A . 10 VAL MG2 . . A . 10 VAL HA . A . 10 . HG2* . . . A . 10 . HA . . rr_1kqe 1 149 1 . . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL HA H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL H . . A . 10 VAL HA . A . 10 . HN . . . A . 10 . HA . . rr_1kqe 1 150 1 . . 1 1 12 12 ALA MB H . . . 2 1 10 10 VAL HA H . . . . . 4.75 2.95 5.50 . . . . . A . 12 ALA MB . . B . 35 VAL HA . A . 12 . HB* . . . B . 10 . HA . . rr_1kqe 1 151 1 . . 2 1 10 10 VAL HA H . . . 1 1 12 12 ALA H H . . . . . 3.50 1.70 4.00 . . . . . B . 35 VAL HA . . A . 12 ALA H . B . 10 . HA . . . A . 12 . HN . . rr_1kqe 1 152 1 . . 1 1 8 8 TRP HA H . . . 2 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HA . . B . 35 VAL HB . A . 8 . HA . . . B . 10 . HB . . rr_1kqe 1 153 1 . . 1 1 8 8 TRP HE3 H . . . 2 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HE3 . . B . 35 VAL HB . A . 8 . HE3 . . . B . 10 . HB . . rr_1kqe 1 154 1 . . 1 1 8 8 TRP HZ3 H . . . 2 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HZ3 . . B . 35 VAL HB . A . 8 . HZ3 . . . B . 10 . HB . . rr_1kqe 1 155 1 . . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL HA H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL HB . . A . 10 VAL HA . A . 10 . HB . . . A . 10 . HA . . rr_1kqe 1 156 1 . . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . A . 10 VAL HB . . A . 10 VAL MG1 . A . 10 . HB . . . A . 10 . HG1* . . rr_1kqe 1 157 1 . . 1 1 10 10 VAL MG2 H . . . 1 1 10 10 VAL HB H . . . . . 4.75 1.95 5.50 . . . . . A . 10 VAL MG2 . . A . 10 VAL HB . A . 10 . HG2* . . . A . 10 . HB . . rr_1kqe 1 158 1 . . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL H . . A . 10 VAL HB . A . 10 . HN . . . A . 10 . HB . . rr_1kqe 1 159 1 . . 1 1 8 8 TRP HE3 H . . . 2 1 10 10 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . A . 8 TRP HE3 . . B . 35 VAL MG1 . A . 8 . HE3 . . . B . 10 . HG1* . . rr_1kqe 1 160 1 . . 1 1 8 8 TRP HZ3 H . . . 2 1 10 10 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . A . 8 TRP HZ3 . . B . 35 VAL MG1 . A . 8 . HZ3 . . . B . 10 . HG1* . . rr_1kqe 1 161 1 . . 1 1 10 10 VAL HA H . . . 1 1 10 10 VAL MG1 H . . . . . 5.00 2.20 5.50 . . . . . A . 10 VAL HA . . A . 10 VAL MG1 . A . 10 . HA . . . A . 10 . HG1* . . rr_1kqe 1 162 1 . . 1 1 10 10 VAL HB H . . . 1 1 10 10 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . A . 10 VAL HB . . A . 10 VAL MG1 . A . 10 . HB . . . A . 10 . HG1* . . rr_1kqe 1 163 1 . . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . A . 10 VAL H . . A . 10 VAL MG1 . A . 10 . HN . . . A . 10 . HG1* . . rr_1kqe 1 164 1 . . 1 1 12 12 ALA MB H . . . 2 1 10 10 VAL MG1 H . . . . . 6.50 3.70 7.00 . . . . . A . 12 ALA MB . . B . 35 VAL MG1 . A . 12 . HB* . . . B . 10 . HG1* . . rr_1kqe 1 165 1 . . 1 1 8 8 TRP HA H . . . 2 1 10 10 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 8 TRP HA . . B . 35 VAL MG2 . A . 8 . HA . . . B . 10 . HG2* . . rr_1kqe 1 166 1 . . 1 1 8 8 TRP HE3 H . . . 2 1 10 10 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 8 TRP HE3 . . B . 35 VAL MG2 . A . 8 . HE3 . . . B . 10 . HG2* . . rr_1kqe 1 167 1 . . 1 1 8 8 TRP HZ3 H . . . 2 1 10 10 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 8 TRP HZ3 . . B . 35 VAL MG2 . A . 8 . HZ3 . . . B . 10 . HG2* . . rr_1kqe 1 168 1 . . 1 1 10 10 VAL MG2 H . . . 1 1 10 10 VAL HA H . . . . . 5.00 3.20 5.50 . . . . . A . 10 VAL MG2 . . A . 10 VAL HA . A . 10 . HG2* . . . A . 10 . HA . . rr_1kqe 1 169 1 . . 1 1 10 10 VAL MG2 H . . . 1 1 10 10 VAL HB H . . . . . 4.75 1.95 5.50 . . . . . A . 10 VAL MG2 . . A . 10 VAL HB . A . 10 . HG2* . . . A . 10 . HB . . rr_1kqe 1 170 1 . . 1 1 10 10 VAL MG2 H . . . 1 1 10 10 VAL H H . . . . . 5.00 3.20 5.50 . . . . . A . 10 VAL MG2 . . A . 10 VAL H . A . 10 . HG2* . . . A . 10 . HN . . rr_1kqe 1 171 1 . . 1 1 8 8 TRP HB3 H . . . 2 1 10 10 VAL H H . . . . . 4.50 2.70 5.00 . . . . . A . 8 TRP HB3 . . B . 35 VAL H . A . 8 . HB1 . . . B . 10 . HN . . rr_1kqe 1 172 1 . . 1 1 8 8 TRP HB2 H . . . 2 1 10 10 VAL H H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB2 . . B . 35 VAL H . A . 8 . HB2 . . . B . 10 . HN . . rr_1kqe 1 173 1 . . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL HA H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL H . . A . 10 VAL HA . A . 10 . HN . . . A . 10 . HA . . rr_1kqe 1 174 1 . . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL H . . A . 10 VAL HB . A . 10 . HN . . . A . 10 . HB . . rr_1kqe 1 175 1 . . 1 1 10 10 VAL H H . . . 1 1 10 10 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . A . 10 VAL H . . A . 10 VAL MG1 . A . 10 . HN . . . A . 10 . HG1* . . rr_1kqe 1 176 1 . . 1 1 10 10 VAL MG2 H . . . 1 1 10 10 VAL H H . . . . . 5.00 3.20 5.50 . . . . . A . 10 VAL MG2 . . A . 10 VAL H . A . 10 . HG2* . . . A . 10 . HN . . rr_1kqe 1 177 1 . . 1 1 12 12 ALA MB H . . . 1 1 12 12 ALA HA H . . . . . 3.50 1.70 4.25 . . . . . A . 12 ALA MB . . A . 12 ALA HA . A . 12 . HB* . . . A . 12 . HA . . rr_1kqe 1 178 1 . . 1 1 12 12 ALA H H . . . 1 1 12 12 ALA HA H . . . . . 3.50 1.70 4.00 . . . . . A . 12 ALA H . . A . 12 ALA HA . A . 12 . HN . . . A . 12 . HA . . rr_1kqe 1 179 1 . . 1 1 12 12 ALA HA H . . . 1 1 13 13 SIN H21 H . . . . . 4.50 2.70 5.00 . . . . . A . 12 ALA HA . . A . 13 SIN H21 . A . 12 . HA . . . A . 13 . H21 . . rr_1kqe 1 180 1 . . 1 1 12 12 ALA HA H . . . 1 1 13 13 SIN H22 H . . . . . 4.25 2.45 5.00 . . . . . A . 12 ALA HA . . A . 13 SIN H22 . A . 12 . HA . . . A . 13 . H22 . . rr_1kqe 1 181 1 . . 1 1 10 10 VAL HA H . . . 2 1 12 12 ALA MB H . . . . . 4.75 2.95 5.50 . . . . . A . 10 VAL HA . . B . 37 ALA MB . A . 10 . HA . . . B . 12 . HB* . . rr_1kqe 1 182 1 . . 1 1 10 10 VAL MG2 H . . . 2 1 12 12 ALA MB H . . . . . 5.50 3.70 6.00 . . . . . A . 10 VAL MG2 . . B . 37 ALA MB . A . 10 . HG2* . . . B . 12 . HB* . . rr_1kqe 1 183 1 . . 1 1 10 10 VAL H H . . . 2 1 12 12 ALA MB H . . . . . 5.75 3.95 6.50 . . . . . A . 10 VAL H . . B . 37 ALA MB . A . 10 . HN . . . B . 12 . HB* . . rr_1kqe 1 184 1 . . 1 1 12 12 ALA MB H . . . 1 1 12 12 ALA HA H . . . . . 3.50 1.70 4.25 . . . . . A . 12 ALA MB . . A . 12 ALA HA . A . 12 . HB* . . . A . 12 . HA . . rr_1kqe 1 185 1 . . 1 1 12 12 ALA MB H . . . 1 1 12 12 ALA H H . . . . . 4.75 2.95 5.50 . . . . . A . 12 ALA MB . . A . 12 ALA H . A . 12 . HB* . . . A . 12 . HN . . rr_1kqe 1 186 1 . . 1 1 12 12 ALA MB H . . . 1 1 13 13 SIN H21 H . . . . . 6.00 4.20 6.50 . . . . . A . 12 ALA MB . . A . 13 SIN H21 . A . 12 . HB* . . . A . 13 . H21 . . rr_1kqe 1 187 1 . . 1 1 12 12 ALA MB H . . . 1 1 13 13 SIN H22 H . . . . . 5.75 3.95 6.50 . . . . . A . 12 ALA MB . . A . 13 SIN H22 . A . 12 . HB* . . . A . 13 . H22 . . rr_1kqe 1 188 1 . . 2 1 10 10 VAL HA H . . . 1 1 12 12 ALA H H . . . . . 3.50 1.70 4.00 . . . . . B . 35 VAL HA . . A . 12 ALA H . B . 10 . HA . . . A . 12 . HN . . rr_1kqe 1 189 1 . . 1 1 12 12 ALA H H . . . 1 1 12 12 ALA HA H . . . . . 3.50 1.70 4.00 . . . . . A . 12 ALA H . . A . 12 ALA HA . A . 12 . HN . . . A . 12 . HA . . rr_1kqe 1 190 1 . . 1 1 12 12 ALA MB H . . . 1 1 12 12 ALA H H . . . . . 4.75 2.95 5.50 . . . . . A . 12 ALA MB . . A . 12 ALA H . A . 12 . HB* . . . A . 12 . HN . . rr_1kqe 1 191 1 . . 1 1 12 12 ALA H H . . . 1 1 13 13 SIN H21 H . . . . . 2.00 0.20 2.75 . . . . . A . 12 ALA H . . A . 13 SIN H21 . A . 12 . HN . . . A . 13 . H21 . . rr_1kqe 1 192 1 . . 1 1 12 12 ALA H H . . . 1 1 13 13 SIN H22 H . . . . . 3.25 1.45 4.00 . . . . . A . 12 ALA H . . A . 13 SIN H22 . A . 12 . HN . . . A . 13 . H22 . . rr_1kqe 1 193 1 . . 1 1 12 12 ALA HA H . . . 1 1 13 13 SIN H21 H . . . . . 4.50 2.70 5.00 . . . . . A . 12 ALA HA . . A . 13 SIN H21 . A . 12 . HA . . . A . 13 . H21 . . rr_1kqe 1 194 1 . . 1 1 12 12 ALA MB H . . . 1 1 13 13 SIN H21 H . . . . . 6.00 4.20 6.50 . . . . . A . 12 ALA MB . . A . 13 SIN H21 . A . 12 . HB* . . . A . 13 . H21 . . rr_1kqe 1 195 1 . . 1 1 12 12 ALA H H . . . 1 1 13 13 SIN H21 H . . . . . 2.00 0.20 2.75 . . . . . A . 12 ALA H . . A . 13 SIN H21 . A . 12 . HN . . . A . 13 . H21 . . rr_1kqe 1 196 1 . . 1 1 13 13 SIN H21 H . . . 1 1 13 13 SIN H22 H . . . . . 2.00 0.20 2.75 . . . . . A . 13 SIN H21 . . A . 13 SIN H22 . A . 13 . H21 . . . A . 13 . H22 . . rr_1kqe 1 197 1 . . 1 1 12 12 ALA HA H . . . 1 1 13 13 SIN H22 H . . . . . 4.25 2.45 5.00 . . . . . A . 12 ALA HA . . A . 13 SIN H22 . A . 12 . HA . . . A . 13 . H22 . . rr_1kqe 1 198 1 . . 1 1 12 12 ALA MB H . . . 1 1 13 13 SIN H22 H . . . . . 5.75 3.95 6.50 . . . . . A . 12 ALA MB . . A . 13 SIN H22 . A . 12 . HB* . . . A . 13 . H22 . . rr_1kqe 1 199 1 . . 1 1 12 12 ALA H H . . . 1 1 13 13 SIN H22 H . . . . . 3.25 1.45 4.00 . . . . . A . 12 ALA H . . A . 13 SIN H22 . A . 12 . HN . . . A . 13 . H22 . . rr_1kqe 1 200 1 . . 1 1 13 13 SIN H21 H . . . 1 1 13 13 SIN H22 H . . . . . 2.00 0.20 2.75 . . . . . A . 13 SIN H21 . . A . 13 SIN H22 . A . 13 . H21 . . . A . 13 . H22 . . rr_1kqe 1 201 1 . . 1 1 24 24 TRP HA H . . . 1 1 24 24 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . A . 24 TRP HA . . A . 24 TRP HB3 . A . 24 . HA . . . A . 24 . HB1 . . rr_1kqe 1 202 1 . . 1 1 24 24 TRP HA H . . . 1 1 24 24 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . A . 24 TRP HA . . A . 24 TRP HB2 . A . 24 . HA . . . A . 24 . HB2 . . rr_1kqe 1 203 1 . . 1 1 24 24 TRP HA H . . . 1 1 24 24 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HA . . A . 24 TRP HE3 . A . 24 . HA . . . A . 24 . HE3 . . rr_1kqe 1 204 1 . . 1 1 24 24 TRP HA H . . . 1 1 24 24 TRP H H . . . . . 3.25 1.45 4.00 . . . . . A . 24 TRP HA . . A . 24 TRP H . A . 24 . HA . . . A . 24 . HN . . rr_1kqe 1 205 1 . . 2 1 24 24 TRP HA H . . . 1 1 22 22 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HA . . A . 22 TRP HB3 . B . 24 . HA . . . A . 22 . HB1 . . rr_1kqe 1 206 1 . . 1 1 24 24 TRP HA H . . . 1 1 24 24 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . A . 24 TRP HA . . A . 24 TRP HB3 . A . 24 . HA . . . A . 24 . HB1 . . rr_1kqe 1 207 1 . . 1 1 24 24 TRP HB3 H . . . 1 1 24 24 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HB3 . . A . 24 TRP HE3 . A . 24 . HB1 . . . A . 24 . HE3 . . rr_1kqe 1 208 1 . . 1 1 24 24 TRP HB3 H . . . 1 1 24 24 TRP H H . . . . . 3.25 1.45 4.00 . . . . . A . 24 TRP HB3 . . A . 24 TRP H . A . 24 . HB1 . . . A . 24 . HN . . rr_1kqe 1 209 1 . . 1 1 24 24 TRP HA H . . . 1 1 24 24 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . A . 24 TRP HA . . A . 24 TRP HB2 . A . 24 . HA . . . A . 24 . HB2 . . rr_1kqe 1 210 1 . . 1 1 24 24 TRP HB2 H . . . 1 1 24 24 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HB2 . . A . 24 TRP HE3 . A . 24 . HB2 . . . A . 24 . HE3 . . rr_1kqe 1 211 1 . . 1 1 24 24 TRP HB2 H . . . 1 1 24 24 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HB2 . . A . 24 TRP H . A . 24 . HB2 . . . A . 24 . HN . . rr_1kqe 1 212 1 . . 1 1 24 24 TRP HA H . . . 1 1 24 24 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . A . 24 TRP HA . . A . 24 TRP HD1 . A . 24 . HA . . . A . 24 . HD1 . . rr_1kqe 1 213 1 . . 1 1 24 24 TRP HB3 H . . . 1 1 24 24 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HB3 . . A . 24 TRP HD1 . A . 24 . HB1 . . . A . 24 . HD1 . . rr_1kqe 1 214 1 . . 1 1 24 24 TRP HB2 H . . . 1 1 24 24 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HB2 . . A . 24 TRP HD1 . A . 24 . HB2 . . . A . 24 . HD1 . . rr_1kqe 1 215 1 . . 1 1 24 24 TRP HD1 H . . . 1 1 24 24 TRP HE1 H . . . . . 3.25 1.45 4.00 . . . . . A . 24 TRP HD1 . . A . 24 TRP HE1 . A . 24 . HD1 . . . A . 24 . HE1 . . rr_1kqe 1 216 1 . . 1 1 22 22 TRP H H . . . 2 1 24 24 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . A . 22 TRP H . . B . 49 TRP HD1 . A . 22 . HN . . . B . 24 . HD1 . . rr_1kqe 1 217 1 . . 1 1 24 24 TRP HA H . . . 1 1 24 24 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HA . . A . 24 TRP HE3 . A . 24 . HA . . . A . 24 . HE3 . . rr_1kqe 1 218 1 . . 1 1 24 24 TRP HB3 H . . . 1 1 24 24 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HB3 . . A . 24 TRP HE3 . A . 24 . HB1 . . . A . 24 . HE3 . . rr_1kqe 1 219 1 . . 1 1 24 24 TRP HB2 H . . . 1 1 24 24 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HB2 . . A . 24 TRP HE3 . A . 24 . HB2 . . . A . 24 . HE3 . . rr_1kqe 1 220 1 . . 1 1 24 24 TRP HE3 H . . . 1 1 24 24 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HE3 . . A . 24 TRP HZ3 . A . 24 . HE3 . . . A . 24 . HZ3 . . rr_1kqe 1 221 1 . . 1 1 22 22 TRP HB3 H . . . 2 1 24 24 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HB3 . . B . 49 TRP HE3 . A . 22 . HB1 . . . B . 24 . HE3 . . rr_1kqe 1 222 1 . . 1 1 22 22 TRP H H . . . 2 1 24 24 TRP HE3 H . . . . . 4.50 2.70 5.00 . . . . . A . 22 TRP H . . B . 49 TRP HE3 . A . 22 . HN . . . B . 24 . HE3 . . rr_1kqe 1 223 1 . . 1 1 24 24 TRP HA H . . . 1 1 24 24 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HA . . A . 24 TRP H . A . 24 . HA . . . A . 24 . HN . . rr_1kqe 1 224 1 . . 1 1 24 24 TRP HB3 H . . . 1 1 24 24 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HB3 . . A . 24 TRP H . A . 24 . HB1 . . . A . 24 . HN . . rr_1kqe 1 225 1 . . 1 1 24 24 TRP HB2 H . . . 1 1 24 24 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HB2 . . A . 24 TRP H . A . 24 . HB2 . . . A . 24 . HN . . rr_1kqe 1 226 1 . . 1 1 22 22 TRP H H . . . 2 1 24 24 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 22 TRP H . . B . 49 TRP H . A . 22 . HN . . . B . 24 . HN . . rr_1kqe 1 227 1 . . 1 1 24 24 TRP HE3 H . . . 1 1 24 24 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . A . 24 TRP HE3 . . A . 24 TRP HZ3 . A . 24 . HE3 . . . A . 24 . HZ3 . . rr_1kqe 1 228 1 . . 1 1 22 22 TRP HB3 H . . . 1 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HB3 . . A . 22 TRP HA . A . 22 . HB1 . . . A . 22 . HA . . rr_1kqe 1 229 1 . . 1 1 22 22 TRP HA H . . . 1 1 22 22 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . A . 22 TRP HA . . A . 22 TRP HB2 . A . 22 . HA . . . A . 22 . HB2 . . rr_1kqe 1 230 1 . . 1 1 22 22 TRP HA H . . . 1 1 22 22 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HA . . A . 22 TRP HE3 . A . 22 . HA . . . A . 22 . HE3 . . rr_1kqe 1 231 1 . . 1 1 22 22 TRP H H . . . 1 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP H . . A . 22 TRP HA . A . 22 . HN . . . A . 22 . HA . . rr_1kqe 1 232 1 . . 1 1 24 24 TRP HA H . . . 2 1 22 22 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HA . . B . 47 TRP HB3 . A . 24 . HA . . . B . 22 . HB1 . . rr_1kqe 1 233 1 . . 1 1 24 24 TRP HE3 H . . . 2 1 22 22 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HE3 . . B . 47 TRP HB3 . A . 24 . HE3 . . . B . 22 . HB1 . . rr_1kqe 1 234 1 . . 1 1 22 22 TRP HB3 H . . . 1 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HB3 . . A . 22 TRP HA . A . 22 . HB1 . . . A . 22 . HA . . rr_1kqe 1 235 1 . . 1 1 22 22 TRP HB3 H . . . 1 1 22 22 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . A . 22 TRP HB3 . . A . 22 TRP HB2 . A . 22 . HB1 . . . A . 22 . HB2 . . rr_1kqe 1 236 1 . . 1 1 22 22 TRP HB3 H . . . 1 1 22 22 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HB3 . . A . 22 TRP HD1 . A . 22 . HB1 . . . A . 22 . HD1 . . rr_1kqe 1 237 1 . . 1 1 22 22 TRP HB3 H . . . 1 1 22 22 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HB3 . . A . 22 TRP HE3 . A . 22 . HB1 . . . A . 22 . HE3 . . rr_1kqe 1 238 1 . . 1 1 22 22 TRP H H . . . 1 1 22 22 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP H . . A . 22 TRP HB3 . A . 22 . HN . . . A . 22 . HB1 . . rr_1kqe 1 239 1 . . 1 1 20 20 TRP H H . . . 2 1 22 22 TRP HB3 H . . . . . 4.25 2.45 5.00 . . . . . A . 20 TRP H . . B . 47 TRP HB3 . A . 20 . HN . . . B . 22 . HB1 . . rr_1kqe 1 240 1 . . 1 1 24 24 TRP HE3 H . . . 2 1 22 22 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HE3 . . B . 47 TRP HB2 . A . 24 . HE3 . . . B . 22 . HB2 . . rr_1kqe 1 241 1 . . 1 1 22 22 TRP HA H . . . 1 1 22 22 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . A . 22 TRP HA . . A . 22 TRP HB2 . A . 22 . HA . . . A . 22 . HB2 . . rr_1kqe 1 242 1 . . 1 1 22 22 TRP HB3 H . . . 1 1 22 22 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . A . 22 TRP HB3 . . A . 22 TRP HB2 . A . 22 . HB1 . . . A . 22 . HB2 . . rr_1kqe 1 243 1 . . 1 1 22 22 TRP HD1 H . . . 1 1 22 22 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HD1 . . A . 22 TRP HB2 . A . 22 . HD1 . . . A . 22 . HB2 . . rr_1kqe 1 244 1 . . 1 1 22 22 TRP HB2 H . . . 1 1 22 22 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HB2 . . A . 22 TRP HE3 . A . 22 . HB2 . . . A . 22 . HE3 . . rr_1kqe 1 245 1 . . 1 1 22 22 TRP H H . . . 1 1 22 22 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP H . . A . 22 TRP HB2 . A . 22 . HN . . . A . 22 . HB2 . . rr_1kqe 1 246 1 . . 1 1 20 20 TRP H H . . . 2 1 22 22 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP H . . B . 47 TRP HB2 . A . 20 . HN . . . B . 22 . HB2 . . rr_1kqe 1 247 1 . . 1 1 24 24 TRP HA H . . . 2 1 22 22 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . A . 24 TRP HA . . B . 47 TRP HD1 . A . 24 . HA . . . B . 22 . HD1 . . rr_1kqe 1 248 1 . . 1 1 22 22 TRP HA H . . . 1 1 22 22 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HA . . A . 22 TRP HD1 . A . 22 . HA . . . A . 22 . HD1 . . rr_1kqe 1 249 1 . . 1 1 22 22 TRP HB3 H . . . 1 1 22 22 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HB3 . . A . 22 TRP HD1 . A . 22 . HB1 . . . A . 22 . HD1 . . rr_1kqe 1 250 1 . . 1 1 22 22 TRP HD1 H . . . 1 1 22 22 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HD1 . . A . 22 TRP HB2 . A . 22 . HD1 . . . A . 22 . HB2 . . rr_1kqe 1 251 1 . . 1 1 22 22 TRP HD1 H . . . 1 1 22 22 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 22 TRP HD1 . . A . 22 TRP HE1 . A . 22 . HD1 . . . A . 22 . HE1 . . rr_1kqe 1 252 1 OR . 2 1 22 22 TRP HD1 H . . . 1 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 47 TRP HD1 . . A . 20 TRP HB2 . B . 22 . HD1 . . . A . 20 . HB* . . rr_1kqe 1 252 2 OR . 2 1 22 22 TRP HD1 H . . . 1 1 20 20 TRP HB3 H . . . . . 4.40 2.60 4.90 . . . . . B . 47 TRP HD1 . . A . 20 TRP HB3 . B . 22 . HD1 . . . A . 20 . HB* . . rr_1kqe 1 253 1 . . 1 1 22 22 TRP HD1 H . . . 1 1 22 22 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 22 TRP HD1 . . A . 22 TRP HE1 . A . 22 . HD1 . . . A . 22 . HE1 . . rr_1kqe 1 254 1 OR . 2 1 22 22 TRP HE1 H . . . 1 1 20 20 TRP HB2 H . . . . . 5.15 3.35 5.90 . . . . . B . 47 TRP HE1 . . A . 20 TRP HB2 . B . 22 . HE1 . . . A . 20 . HB* . . rr_1kqe 1 254 2 OR . 1 1 20 20 TRP HB3 H . . . 2 1 22 22 TRP HE1 H . . . . . 5.15 3.35 5.90 . . . . . A . 20 TRP HB3 . . B . 47 TRP HE1 . A . 20 . HB* . . . B . 22 . HE1 . . rr_1kqe 1 255 1 . . 1 1 22 22 TRP HA H . . . 1 1 22 22 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HA . . A . 22 TRP HE3 . A . 22 . HA . . . A . 22 . HE3 . . rr_1kqe 1 256 1 . . 1 1 22 22 TRP HB3 H . . . 1 1 22 22 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HB3 . . A . 22 TRP HE3 . A . 22 . HB1 . . . A . 22 . HE3 . . rr_1kqe 1 257 1 . . 1 1 22 22 TRP HB2 H . . . 1 1 22 22 TRP HE3 H . . . . . 3.25 1.45 4.00 . . . . . A . 22 TRP HB2 . . A . 22 TRP HE3 . A . 22 . HB2 . . . A . 22 . HE3 . . rr_1kqe 1 258 1 . . 1 1 22 22 TRP HE3 H . . . 1 1 22 22 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HE3 . . A . 22 TRP HZ3 . A . 22 . HE3 . . . A . 22 . HZ3 . . rr_1kqe 1 259 1 . . 1 1 20 20 TRP H H . . . 2 1 22 22 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP H . . B . 47 TRP HE3 . A . 20 . HN . . . B . 22 . HE3 . . rr_1kqe 1 260 1 . . 1 1 22 22 TRP H H . . . 2 1 24 24 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP H . . B . 49 TRP HA . A . 22 . HN . . . B . 24 . HA . . rr_1kqe 1 261 1 . . 1 1 24 24 TRP HE3 H . . . 2 1 22 22 TRP H H . . . . . 4.50 2.70 5.00 . . . . . A . 24 TRP HE3 . . B . 47 TRP H . A . 24 . HE3 . . . B . 22 . HN . . rr_1kqe 1 262 1 . . 1 1 22 22 TRP H H . . . 1 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP H . . A . 22 TRP HA . A . 22 . HN . . . A . 22 . HA . . rr_1kqe 1 263 1 . . 1 1 22 22 TRP H H . . . 1 1 22 22 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP H . . A . 22 TRP HB3 . A . 22 . HN . . . A . 22 . HB1 . . rr_1kqe 1 264 1 . . 1 1 22 22 TRP H H . . . 1 1 22 22 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP H . . A . 22 TRP HB2 . A . 22 . HN . . . A . 22 . HB2 . . rr_1kqe 1 265 1 . . 1 1 20 20 TRP H H . . . 2 1 22 22 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP H . . B . 47 TRP H . A . 20 . HN . . . B . 22 . HN . . rr_1kqe 1 266 1 . . 1 1 22 22 TRP HE1 H . . . 1 1 22 22 TRP HZ2 H . . . . . 4.25 2.45 5.00 . . . . . A . 22 TRP HE1 . . A . 22 TRP HZ2 . A . 22 . HE1 . . . A . 22 . HZ2 . . rr_1kqe 1 267 1 . . 1 1 22 22 TRP HE3 H . . . 1 1 22 22 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HE3 . . A . 22 TRP HZ3 . A . 22 . HE3 . . . A . 22 . HZ3 . . rr_1kqe 1 268 1 OR . 1 1 20 20 TRP HA H . . . 1 1 20 20 TRP HB2 H . . . . . 2.90 1.10 3.65 . . . . . A . 20 TRP HA . . A . 20 TRP HB2 . A . 20 . HA . . . A . 20 . HB* . . rr_1kqe 1 268 2 OR . 1 1 20 20 TRP HB3 H . . . 1 1 20 20 TRP HA H . . . . . 2.90 1.10 3.65 . . . . . A . 20 TRP HB3 . . A . 20 TRP HA . A . 20 . HB* . . . A . 20 . HA . . rr_1kqe 1 269 1 . . 1 1 20 20 TRP HD1 H . . . 1 1 20 20 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HD1 . . A . 20 TRP HA . A . 20 . HD1 . . . A . 20 . HA . . rr_1kqe 1 270 1 . . 1 1 20 20 TRP HA H . . . 1 1 20 20 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HA . . A . 20 TRP HE3 . A . 20 . HA . . . A . 20 . HE3 . . rr_1kqe 1 271 1 . . 1 1 20 20 TRP H H . . . 1 1 20 20 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 20 TRP H . . A . 20 TRP HA . A . 20 . HN . . . A . 20 . HA . . rr_1kqe 1 272 1 . . 1 1 18 18 TRP HB3 H . . . 2 1 20 20 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB3 . . B . 45 TRP HA . A . 18 . HB1 . . . B . 20 . HA . . rr_1kqe 1 273 1 . . 2 1 20 20 TRP HA H . . . 1 1 18 18 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 45 TRP HA . . A . 18 TRP HB2 . B . 20 . HA . . . A . 18 . HB2 . . rr_1kqe 1 274 1 . . 1 1 18 18 TRP H H . . . 2 1 20 20 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 18 TRP H . . B . 45 TRP HA . A . 18 . HN . . . B . 20 . HA . . rr_1kqe 1 275 1 OR . 1 1 22 22 TRP HE3 H . . . 2 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 22 TRP HE3 . . B . 45 TRP HB2 . A . 22 . HE3 . . . B . 20 . HB* . . rr_1kqe 1 275 2 OR . 1 1 22 22 TRP HE3 H . . . 2 1 20 20 TRP HB3 H . . . . . 4.40 2.60 4.90 . . . . . A . 22 TRP HE3 . . B . 45 TRP HB3 . A . 22 . HE3 . . . B . 20 . HB* . . rr_1kqe 1 276 1 OR . 1 1 20 20 TRP HA H . . . 1 1 20 20 TRP HB2 H . . . . . 2.90 1.10 3.65 . . . . . A . 20 TRP HA . . A . 20 TRP HB2 . A . 20 . HA . . . A . 20 . HB* . . rr_1kqe 1 276 2 OR . 1 1 20 20 TRP HB3 H . . . 1 1 20 20 TRP HA H . . . . . 2.90 1.10 3.65 . . . . . A . 20 TRP HB3 . . A . 20 TRP HA . A . 20 . HB* . . . A . 20 . HA . . rr_1kqe 1 277 1 OR . 1 1 20 20 TRP HD1 H . . . 1 1 20 20 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . A . 20 TRP HD1 . . A . 20 TRP HB2 . A . 20 . HD1 . . . A . 20 . HB* . . rr_1kqe 1 277 2 OR . 1 1 20 20 TRP HD1 H . . . 1 1 20 20 TRP HB3 H . . . . . 4.15 2.35 4.90 . . . . . A . 20 TRP HD1 . . A . 20 TRP HB3 . A . 20 . HD1 . . . A . 20 . HB* . . rr_1kqe 1 278 1 OR . 1 1 20 20 TRP HE3 H . . . 1 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 20 TRP HE3 . . A . 20 TRP HB2 . A . 20 . HE3 . . . A . 20 . HB* . . rr_1kqe 1 278 2 OR . 1 1 20 20 TRP HB3 H . . . 1 1 20 20 TRP HE3 H . . . . . 4.40 2.60 4.90 . . . . . A . 20 TRP HB3 . . A . 20 TRP HE3 . A . 20 . HB* . . . A . 20 . HE3 . . rr_1kqe 1 279 1 OR . 1 1 20 20 TRP H H . . . 1 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 20 TRP H . . A . 20 TRP HB2 . A . 20 . HN . . . A . 20 . HB* . . rr_1kqe 1 279 2 OR . 1 1 20 20 TRP H H . . . 1 1 20 20 TRP HB3 H . . . . . 4.40 2.60 4.90 . . . . . A . 20 TRP H . . A . 20 TRP HB3 . A . 20 . HN . . . A . 20 . HB* . . rr_1kqe 1 280 1 OR . 1 1 18 18 TRP H H . . . 2 1 20 20 TRP HB2 H . . . . . 5.40 3.60 5.90 . . . . . A . 18 TRP H . . B . 45 TRP HB2 . A . 18 . HN . . . B . 20 . HB* . . rr_1kqe 1 280 2 OR . 1 1 18 18 TRP H H . . . 2 1 20 20 TRP HB3 H . . . . . 5.40 3.60 5.90 . . . . . A . 18 TRP H . . B . 45 TRP HB3 . A . 18 . HN . . . B . 20 . HB* . . rr_1kqe 1 281 1 . . 1 1 20 20 TRP HD1 H . . . 1 1 20 20 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HD1 . . A . 20 TRP HA . A . 20 . HD1 . . . A . 20 . HA . . rr_1kqe 1 282 1 OR . 1 1 20 20 TRP HD1 H . . . 1 1 20 20 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . A . 20 TRP HD1 . . A . 20 TRP HB2 . A . 20 . HD1 . . . A . 20 . HB* . . rr_1kqe 1 282 2 OR . 1 1 20 20 TRP HD1 H . . . 1 1 20 20 TRP HB3 H . . . . . 4.15 2.35 4.90 . . . . . A . 20 TRP HD1 . . A . 20 TRP HB3 . A . 20 . HD1 . . . A . 20 . HB* . . rr_1kqe 1 283 1 . . 1 1 20 20 TRP HD1 H . . . 1 1 20 20 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 20 TRP HD1 . . A . 20 TRP HE1 . A . 20 . HD1 . . . A . 20 . HE1 . . rr_1kqe 1 284 1 . . 1 1 20 20 TRP HD1 H . . . 1 1 20 20 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 20 TRP HD1 . . A . 20 TRP H . A . 20 . HD1 . . . A . 20 . HN . . rr_1kqe 1 285 1 . . 1 1 18 18 TRP HB3 H . . . 2 1 20 20 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB3 . . B . 45 TRP HD1 . A . 18 . HB1 . . . B . 20 . HD1 . . rr_1kqe 1 286 1 . . 1 1 18 18 TRP HB2 H . . . 2 1 20 20 TRP HD1 H . . . . . 4.50 2.70 5.00 . . . . . A . 18 TRP HB2 . . B . 45 TRP HD1 . A . 18 . HB2 . . . B . 20 . HD1 . . rr_1kqe 1 287 1 . . 1 1 18 18 TRP H H . . . 2 1 20 20 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . A . 18 TRP H . . B . 45 TRP HD1 . A . 18 . HN . . . B . 20 . HD1 . . rr_1kqe 1 288 1 OR . 1 1 20 20 TRP HE1 H . . . 1 1 20 20 TRP HB2 H . . . . . 5.15 3.35 5.90 . . . . . A . 20 TRP HE1 . . A . 20 TRP HB2 . A . 20 . HE1 . . . A . 20 . HB* . . rr_1kqe 1 288 2 OR . 1 1 20 20 TRP HE1 H . . . 1 1 20 20 TRP HB3 H . . . . . 5.15 3.35 5.90 . . . . . A . 20 TRP HE1 . . A . 20 TRP HB3 . A . 20 . HE1 . . . A . 20 . HB* . . rr_1kqe 1 289 1 . . 1 1 20 20 TRP HD1 H . . . 1 1 20 20 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 20 TRP HD1 . . A . 20 TRP HE1 . A . 20 . HD1 . . . A . 20 . HE1 . . rr_1kqe 1 290 1 . . 1 1 20 20 TRP HA H . . . 1 1 20 20 TRP HE3 H . . . . . 4.50 2.70 5.00 . . . . . A . 20 TRP HA . . A . 20 TRP HE3 . A . 20 . HA . . . A . 20 . HE3 . . rr_1kqe 1 291 1 OR . 1 1 20 20 TRP HE3 H . . . 1 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 20 TRP HE3 . . A . 20 TRP HB2 . A . 20 . HE3 . . . A . 20 . HB* . . rr_1kqe 1 291 2 OR . 1 1 20 20 TRP HB3 H . . . 1 1 20 20 TRP HE3 H . . . . . 4.40 2.60 4.90 . . . . . A . 20 TRP HB3 . . A . 20 TRP HE3 . A . 20 . HB* . . . A . 20 . HE3 . . rr_1kqe 1 292 1 . . 1 1 20 20 TRP HE3 H . . . 1 1 20 20 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HE3 . . A . 20 TRP HZ3 . A . 20 . HE3 . . . A . 20 . HZ3 . . rr_1kqe 1 293 1 . . 1 1 18 18 TRP HB3 H . . . 2 1 20 20 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB3 . . B . 45 TRP HE3 . A . 18 . HB1 . . . B . 20 . HE3 . . rr_1kqe 1 294 1 . . 1 1 18 18 TRP HB2 H . . . 2 1 20 20 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB2 . . B . 45 TRP HE3 . A . 18 . HB2 . . . B . 20 . HE3 . . rr_1kqe 1 295 1 . . 1 1 18 18 TRP H H . . . 2 1 20 20 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP H . . B . 45 TRP HE3 . A . 18 . HN . . . B . 20 . HE3 . . rr_1kqe 1 296 1 . . 1 1 22 22 TRP HE3 H . . . 2 1 20 20 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HE3 . . B . 45 TRP H . A . 22 . HE3 . . . B . 20 . HN . . rr_1kqe 1 297 1 . . 1 1 20 20 TRP H H . . . 1 1 20 20 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 20 TRP H . . A . 20 TRP HA . A . 20 . HN . . . A . 20 . HA . . rr_1kqe 1 298 1 OR . 1 1 20 20 TRP H H . . . 1 1 20 20 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . A . 20 TRP H . . A . 20 TRP HB2 . A . 20 . HN . . . A . 20 . HB* . . rr_1kqe 1 298 2 OR . 1 1 20 20 TRP H H . . . 1 1 20 20 TRP HB3 H . . . . . 4.15 2.35 4.90 . . . . . A . 20 TRP H . . A . 20 TRP HB3 . A . 20 . HN . . . A . 20 . HB* . . rr_1kqe 1 299 1 . . 1 1 20 20 TRP HD1 H . . . 1 1 20 20 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 20 TRP HD1 . . A . 20 TRP H . A . 20 . HD1 . . . A . 20 . HN . . rr_1kqe 1 300 1 . . 1 1 18 18 TRP H H . . . 2 1 20 20 TRP H H . . . . . 4.50 2.70 5.00 . . . . . A . 18 TRP H . . B . 45 TRP H . A . 18 . HN . . . B . 20 . HN . . rr_1kqe 1 301 1 . . 1 1 18 18 TRP HB3 H . . . 1 1 18 18 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB3 . . A . 18 TRP HA . A . 18 . HB1 . . . A . 18 . HA . . rr_1kqe 1 302 1 . . 1 1 18 18 TRP HB2 H . . . 1 1 18 18 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 18 TRP HB2 . . A . 18 TRP HA . A . 18 . HB2 . . . A . 18 . HA . . rr_1kqe 1 303 1 . . 1 1 18 18 TRP HA H . . . 1 1 18 18 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HA . . A . 18 TRP HE3 . A . 18 . HA . . . A . 18 . HE3 . . rr_1kqe 1 304 1 . . 1 1 18 18 TRP H H . . . 1 1 18 18 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP H . . A . 18 TRP HA . A . 18 . HN . . . A . 18 . HA . . rr_1kqe 1 305 1 . . 2 1 18 18 TRP HA H . . . 1 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HA . . A . 16 VAL HB . B . 18 . HA . . . A . 16 . HB* . . rr_1kqe 1 306 1 . . 2 1 18 18 TRP HA H . . . 1 1 16 16 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . B . 43 TRP HA . . A . 16 VAL MG2 . B . 18 . HA . . . A . 16 . HG2* . . rr_1kqe 1 307 1 . . 2 1 18 18 TRP HA H . . . 1 1 16 16 VAL H H . . . . . 3.25 1.45 4.00 . . . . . B . 43 TRP HA . . A . 16 VAL H . B . 18 . HA . . . A . 16 . HN . . rr_1kqe 1 308 1 . . 1 1 20 20 TRP HD1 H . . . 2 1 18 18 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . A . 20 TRP HD1 . . B . 43 TRP HB3 . A . 20 . HD1 . . . B . 18 . HB1 . . rr_1kqe 1 309 1 . . 1 1 20 20 TRP HE3 H . . . 2 1 18 18 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HE3 . . B . 43 TRP HB3 . A . 20 . HE3 . . . B . 18 . HB1 . . rr_1kqe 1 310 1 . . 1 1 18 18 TRP HB3 H . . . 1 1 18 18 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 18 TRP HB3 . . A . 18 TRP HA . A . 18 . HB1 . . . A . 18 . HA . . rr_1kqe 1 311 1 . . 1 1 18 18 TRP HB3 H . . . 1 1 18 18 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . A . 18 TRP HB3 . . A . 18 TRP HB2 . A . 18 . HB1 . . . A . 18 . HB2 . . rr_1kqe 1 312 1 . . 1 1 18 18 TRP HB3 H . . . 1 1 18 18 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB3 . . A . 18 TRP HE3 . A . 18 . HB1 . . . A . 18 . HE3 . . rr_1kqe 1 313 1 . . 1 1 18 18 TRP HB3 H . . . 1 1 18 18 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB3 . . A . 18 TRP H . A . 18 . HB1 . . . A . 18 . HN . . rr_1kqe 1 314 1 . . 1 1 16 16 VAL H H . . . 2 1 18 18 TRP HB3 H . . . . . 4.50 2.70 5.00 . . . . . A . 16 VAL H . . B . 43 TRP HB3 . A . 16 . HN . . . B . 18 . HB1 . . rr_1kqe 1 315 1 . . 1 1 20 20 TRP HD1 H . . . 2 1 18 18 TRP HB2 H . . . . . 4.50 2.70 5.00 . . . . . A . 20 TRP HD1 . . B . 43 TRP HB2 . A . 20 . HD1 . . . B . 18 . HB2 . . rr_1kqe 1 316 1 . . 1 1 20 20 TRP HE3 H . . . 2 1 18 18 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HE3 . . B . 43 TRP HB2 . A . 20 . HE3 . . . B . 18 . HB2 . . rr_1kqe 1 317 1 . . 1 1 18 18 TRP HB2 H . . . 1 1 18 18 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 18 TRP HB2 . . A . 18 TRP HA . A . 18 . HB2 . . . A . 18 . HA . . rr_1kqe 1 318 1 . . 1 1 18 18 TRP HB3 H . . . 1 1 18 18 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . A . 18 TRP HB3 . . A . 18 TRP HB2 . A . 18 . HB1 . . . A . 18 . HB2 . . rr_1kqe 1 319 1 . . 1 1 18 18 TRP HB2 H . . . 1 1 18 18 TRP HE3 H . . . . . 3.25 1.45 4.00 . . . . . A . 18 TRP HB2 . . A . 18 TRP HE3 . A . 18 . HB2 . . . A . 18 . HE3 . . rr_1kqe 1 320 1 . . 1 1 18 18 TRP H H . . . 1 1 18 18 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP H . . A . 18 TRP HB2 . A . 18 . HN . . . A . 18 . HB2 . . rr_1kqe 1 321 1 . . 1 1 16 16 VAL H H . . . 2 1 18 18 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL H . . B . 43 TRP HB2 . A . 16 . HN . . . B . 18 . HB2 . . rr_1kqe 1 322 1 OR . 2 1 18 18 TRP HD1 H . . . 1 1 20 20 TRP HB2 H . . . . . 5.40 3.60 5.90 . . . . . B . 43 TRP HD1 . . A . 20 TRP HB2 . B . 18 . HD1 . . . A . 20 . HB* . . rr_1kqe 1 322 2 OR . 1 1 20 20 TRP HB3 H . . . 2 1 18 18 TRP HD1 H . . . . . 5.40 3.60 5.90 . . . . . A . 20 TRP HB3 . . B . 43 TRP HD1 . A . 20 . HB* . . . B . 18 . HD1 . . rr_1kqe 1 323 1 . . 1 1 18 18 TRP HD1 H . . . 1 1 18 18 TRP HA H . . . . . 4.50 2.70 5.00 . . . . . A . 18 TRP HD1 . . A . 18 TRP HA . A . 18 . HD1 . . . A . 18 . HA . . rr_1kqe 1 324 1 . . 1 1 18 18 TRP HD1 H . . . 1 1 18 18 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HD1 . . A . 18 TRP HB3 . A . 18 . HD1 . . . A . 18 . HB1 . . rr_1kqe 1 325 1 . . 1 1 18 18 TRP HD1 H . . . 1 1 18 18 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HD1 . . A . 18 TRP HB2 . A . 18 . HD1 . . . A . 18 . HB2 . . rr_1kqe 1 326 1 . . 1 1 18 18 TRP HD1 H . . . 1 1 18 18 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 18 TRP HD1 . . A . 18 TRP HE1 . A . 18 . HD1 . . . A . 18 . HE1 . . rr_1kqe 1 327 1 . . 1 1 16 16 VAL MG2 H . . . 2 1 18 18 TRP HD1 H . . . . . 6.00 4.20 6.50 . . . . . A . 16 VAL MG2 . . B . 43 TRP HD1 . A . 16 . HG2* . . . B . 18 . HD1 . . rr_1kqe 1 328 1 . . 1 1 18 18 TRP HD1 H . . . 1 1 18 18 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . A . 18 TRP HD1 . . A . 18 TRP HE1 . A . 18 . HD1 . . . A . 18 . HE1 . . rr_1kqe 1 329 1 . . 1 1 18 18 TRP HA H . . . 1 1 18 18 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HA . . A . 18 TRP HE3 . A . 18 . HA . . . A . 18 . HE3 . . rr_1kqe 1 330 1 . . 1 1 18 18 TRP HB3 H . . . 1 1 18 18 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB3 . . A . 18 TRP HE3 . A . 18 . HB1 . . . A . 18 . HE3 . . rr_1kqe 1 331 1 . . 1 1 18 18 TRP HB2 H . . . 1 1 18 18 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB2 . . A . 18 TRP HE3 . A . 18 . HB2 . . . A . 18 . HE3 . . rr_1kqe 1 332 1 . . 1 1 18 18 TRP H H . . . 1 1 18 18 TRP HE3 H . . . . . 4.25 2.45 5.00 . . . . . A . 18 TRP H . . A . 18 TRP HE3 . A . 18 . HN . . . A . 18 . HE3 . . rr_1kqe 1 333 1 . . 1 1 18 18 TRP HE3 H . . . 1 1 18 18 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . A . 18 TRP HE3 . . A . 18 TRP HZ3 . A . 18 . HE3 . . . A . 18 . HZ3 . . rr_1kqe 1 334 1 . . 2 1 18 18 TRP HE3 H . . . 1 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HE3 . . A . 16 VAL HB . B . 18 . HE3 . . . A . 16 . HB . . rr_1kqe 1 335 1 . . 1 1 16 16 VAL MG2 H . . . 2 1 18 18 TRP HE3 H . . . . . 5.00 3.20 5.50 . . . . . A . 16 VAL MG2 . . B . 43 TRP HE3 . A . 16 . HG2* . . . B . 18 . HE3 . . rr_1kqe 1 336 1 OR . 2 1 18 18 TRP H H . . . 1 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 43 TRP H . . A . 20 TRP HB2 . B . 18 . HN . . . A . 20 . HB* . . rr_1kqe 1 336 2 OR . 1 1 20 20 TRP HB3 H . . . 2 1 18 18 TRP H H . . . . . 4.40 2.60 4.90 . . . . . A . 20 TRP HB3 . . B . 43 TRP H . A . 20 . HB* . . . B . 18 . HN . . rr_1kqe 1 337 1 . . 1 1 20 20 TRP HE3 H . . . 2 1 18 18 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HE3 . . B . 43 TRP H . A . 20 . HE3 . . . B . 18 . HN . . rr_1kqe 1 338 1 . . 1 1 18 18 TRP H H . . . 1 1 18 18 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . A . 18 TRP H . . A . 18 TRP HA . A . 18 . HN . . . A . 18 . HA . . rr_1kqe 1 339 1 . . 1 1 18 18 TRP HB3 H . . . 1 1 18 18 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB3 . . A . 18 TRP H . A . 18 . HB1 . . . A . 18 . HN . . rr_1kqe 1 340 1 . . 1 1 18 18 TRP H H . . . 1 1 18 18 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP H . . A . 18 TRP HB2 . A . 18 . HN . . . A . 18 . HB2 . . rr_1kqe 1 341 1 . . 1 1 18 18 TRP HD1 H . . . 1 1 18 18 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 18 TRP HD1 . . A . 18 TRP H . A . 18 . HD1 . . . A . 18 . HN . . rr_1kqe 1 342 1 . . 1 1 18 18 TRP HA H . . . 1 1 18 18 TRP HZ3 H . . . . . 4.25 2.45 5.00 . . . . . A . 18 TRP HA . . A . 18 TRP HZ3 . A . 18 . HA . . . A . 18 . HZ3 . . rr_1kqe 1 343 1 . . 1 1 18 18 TRP HE3 H . . . 1 1 18 18 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . A . 18 TRP HE3 . . A . 18 TRP HZ3 . A . 18 . HE3 . . . A . 18 . HZ3 . . rr_1kqe 1 344 1 . . 1 1 16 16 VAL HB H . . . 2 1 18 18 TRP HZ3 H . . . . . 4.50 2.70 5.00 . . . . . A . 16 VAL HB . . B . 43 TRP HZ3 . A . 16 . HB . . . B . 18 . HZ3 . . rr_1kqe 1 345 1 . . 1 1 16 16 VAL MG2 H . . . 2 1 18 18 TRP HZ3 H . . . . . 5.00 3.20 5.50 . . . . . A . 16 VAL MG2 . . B . 43 TRP HZ3 . A . 16 . HG2* . . . B . 18 . HZ3 . . rr_1kqe 1 346 1 . . 1 1 16 16 VAL HB H . . . 1 1 16 16 VAL HA H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL HB . . A . 16 VAL HA . A . 16 . HB . . . A . 16 . HA . . rr_1kqe 1 347 1 . . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . A . 16 VAL HA . . A . 16 VAL MG1 . A . 16 . HA . . . A . 16 . HG1* . . rr_1kqe 1 348 1 . . 1 1 16 16 VAL MG2 H . . . 1 1 16 16 VAL HA H . . . . . 5.00 3.20 5.50 . . . . . A . 16 VAL MG2 . . A . 16 VAL HA . A . 16 . HG2* . . . A . 16 . HA . . rr_1kqe 1 349 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HA H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL H . . A . 16 VAL HA . A . 16 . HN . . . A . 16 . HA . . rr_1kqe 1 350 1 . . 1 1 14 14 ALA MB H . . . 2 1 16 16 VAL HA H . . . . . 4.75 2.95 5.50 . . . . . A . 14 ALA MB . . B . 41 VAL HA . A . 14 . HB* . . . B . 16 . HA . . rr_1kqe 1 351 1 . . 2 1 16 16 VAL HA H . . . 1 1 14 14 ALA H H . . . . . 3.50 1.70 4.00 . . . . . B . 41 VAL HA . . A . 14 ALA H . B . 16 . HA . . . A . 14 . HN . . rr_1kqe 1 352 1 . . 1 1 18 18 TRP HA H . . . 2 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HA . . B . 41 VAL HB . A . 18 . HA . . . B . 16 . HB . . rr_1kqe 1 353 1 . . 1 1 18 18 TRP HE3 H . . . 2 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HE3 . . B . 41 VAL HB . A . 18 . HE3 . . . B . 16 . HB . . rr_1kqe 1 354 1 . . 1 1 18 18 TRP HZ3 H . . . 2 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HZ3 . . B . 41 VAL HB . A . 18 . HZ3 . . . B . 16 . HB . . rr_1kqe 1 355 1 . . 1 1 16 16 VAL HB H . . . 1 1 16 16 VAL HA H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL HB . . A . 16 VAL HA . A . 16 . HB . . . A . 16 . HA . . rr_1kqe 1 356 1 . . 1 1 16 16 VAL HB H . . . 1 1 16 16 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . A . 16 VAL HB . . A . 16 VAL MG1 . A . 16 . HB . . . A . 16 . HG1* . . rr_1kqe 1 357 1 . . 1 1 16 16 VAL MG2 H . . . 1 1 16 16 VAL HB H . . . . . 4.75 1.95 5.50 . . . . . A . 16 VAL MG2 . . A . 16 VAL HB . A . 16 . HG2* . . . A . 16 . HB . . rr_1kqe 1 358 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL H . . A . 16 VAL HB . A . 16 . HN . . . A . 16 . HB . . rr_1kqe 1 359 1 . . 1 1 18 18 TRP HE3 H . . . 2 1 16 16 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . A . 18 TRP HE3 . . B . 41 VAL MG1 . A . 18 . HE3 . . . B . 16 . HG1* . . rr_1kqe 1 360 1 . . 1 1 18 18 TRP HZ3 H . . . 2 1 16 16 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . A . 18 TRP HZ3 . . B . 41 VAL MG1 . A . 18 . HZ3 . . . B . 16 . HG1* . . rr_1kqe 1 361 1 . . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL MG1 H . . . . . 5.00 2.20 5.50 . . . . . A . 16 VAL HA . . A . 16 VAL MG1 . A . 16 . HA . . . A . 16 . HG1* . . rr_1kqe 1 362 1 . . 1 1 16 16 VAL HB H . . . 1 1 16 16 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . A . 16 VAL HB . . A . 16 VAL MG1 . A . 16 . HB . . . A . 16 . HG1* . . rr_1kqe 1 363 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . A . 16 VAL H . . A . 16 VAL MG1 . A . 16 . HN . . . A . 16 . HG1* . . rr_1kqe 1 364 1 . . 1 1 14 14 ALA MB H . . . 2 1 16 16 VAL MG1 H . . . . . 6.50 3.70 7.00 . . . . . A . 14 ALA MB . . B . 41 VAL MG1 . A . 14 . HB* . . . B . 16 . HG1* . . rr_1kqe 1 365 1 . . 1 1 18 18 TRP HA H . . . 2 1 16 16 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 18 TRP HA . . B . 41 VAL MG2 . A . 18 . HA . . . B . 16 . HG2* . . rr_1kqe 1 366 1 . . 1 1 18 18 TRP HE3 H . . . 2 1 16 16 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 18 TRP HE3 . . B . 41 VAL MG2 . A . 18 . HE3 . . . B . 16 . HG2* . . rr_1kqe 1 367 1 . . 1 1 18 18 TRP HZ3 H . . . 2 1 16 16 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 18 TRP HZ3 . . B . 41 VAL MG2 . A . 18 . HZ3 . . . B . 16 . HG2* . . rr_1kqe 1 368 1 . . 1 1 16 16 VAL MG2 H . . . 1 1 16 16 VAL HA H . . . . . 5.00 3.20 5.50 . . . . . A . 16 VAL MG2 . . A . 16 VAL HA . A . 16 . HG2* . . . A . 16 . HA . . rr_1kqe 1 369 1 . . 1 1 16 16 VAL MG2 H . . . 1 1 16 16 VAL HB H . . . . . 4.75 1.95 5.50 . . . . . A . 16 VAL MG2 . . A . 16 VAL HB . A . 16 . HG2* . . . A . 16 . HB . . rr_1kqe 1 370 1 . . 1 1 16 16 VAL MG2 H . . . 1 1 16 16 VAL H H . . . . . 5.00 3.20 5.50 . . . . . A . 16 VAL MG2 . . A . 16 VAL H . A . 16 . HG2* . . . A . 16 . HN . . rr_1kqe 1 371 1 . . 1 1 18 18 TRP HB3 H . . . 2 1 16 16 VAL H H . . . . . 4.50 2.70 5.00 . . . . . A . 18 TRP HB3 . . B . 41 VAL H . A . 18 . HB1 . . . B . 16 . HN . . rr_1kqe 1 372 1 . . 1 1 18 18 TRP HB2 H . . . 2 1 16 16 VAL H H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB2 . . B . 41 VAL H . A . 18 . HB2 . . . B . 16 . HN . . rr_1kqe 1 373 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HA H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL H . . A . 16 VAL HA . A . 16 . HN . . . A . 16 . HA . . rr_1kqe 1 374 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL H . . A . 16 VAL HB . A . 16 . HN . . . A . 16 . HB . . rr_1kqe 1 375 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . A . 16 VAL H . . A . 16 VAL MG1 . A . 16 . HN . . . A . 16 . HG1* . . rr_1kqe 1 376 1 . . 1 1 16 16 VAL MG2 H . . . 1 1 16 16 VAL H H . . . . . 5.00 3.20 5.50 . . . . . A . 16 VAL MG2 . . A . 16 VAL H . A . 16 . HG2* . . . A . 16 . HN . . rr_1kqe 1 377 1 . . 1 1 14 14 ALA MB H . . . 1 1 14 14 ALA HA H . . . . . 3.50 1.70 4.25 . . . . . A . 14 ALA MB . . A . 14 ALA HA . A . 14 . HB* . . . A . 14 . HA . . rr_1kqe 1 378 1 . . 1 1 14 14 ALA H H . . . 1 1 14 14 ALA HA H . . . . . 3.50 1.70 4.00 . . . . . A . 14 ALA H . . A . 14 ALA HA . A . 14 . HN . . . A . 14 . HA . . rr_1kqe 1 379 1 . . 1 1 14 14 ALA HA H . . . 1 1 13 13 SIN H31 H . . . . . 4.50 2.70 5.00 . . . . . A . 14 ALA HA . . A . 13 SIN H31 . A . 14 . HA . . . A . 13 . H31 . . rr_1kqe 1 380 1 . . 1 1 14 14 ALA HA H . . . 1 1 13 13 SIN H32 H . . . . . 4.25 2.45 5.00 . . . . . A . 14 ALA HA . . A . 13 SIN H32 . A . 14 . HA . . . A . 13 . H32 . . rr_1kqe 1 381 1 . . 1 1 16 16 VAL HA H . . . 2 1 14 14 ALA MB H . . . . . 4.75 2.95 5.50 . . . . . A . 16 VAL HA . . B . 39 ALA MB . A . 16 . HA . . . B . 14 . HB* . . rr_1kqe 1 382 1 . . 1 1 16 16 VAL MG2 H . . . 2 1 14 14 ALA MB H . . . . . 5.50 3.70 6.00 . . . . . A . 16 VAL MG2 . . B . 39 ALA MB . A . 16 . HG2* . . . B . 14 . HB* . . rr_1kqe 1 383 1 . . 1 1 16 16 VAL H H . . . 2 1 14 14 ALA MB H . . . . . 5.75 3.95 6.50 . . . . . A . 16 VAL H . . B . 39 ALA MB . A . 16 . HN . . . B . 14 . HB* . . rr_1kqe 1 384 1 . . 1 1 14 14 ALA MB H . . . 1 1 14 14 ALA HA H . . . . . 3.50 1.70 4.25 . . . . . A . 14 ALA MB . . A . 14 ALA HA . A . 14 . HB* . . . A . 14 . HA . . rr_1kqe 1 385 1 . . 1 1 14 14 ALA MB H . . . 1 1 14 14 ALA H H . . . . . 4.75 2.95 5.50 . . . . . A . 14 ALA MB . . A . 14 ALA H . A . 14 . HB* . . . A . 14 . HN . . rr_1kqe 1 386 1 . . 1 1 14 14 ALA MB H . . . 1 1 13 13 SIN H31 H . . . . . 6.00 4.20 6.50 . . . . . A . 14 ALA MB . . A . 13 SIN H31 . A . 14 . HB* . . . A . 13 . H31 . . rr_1kqe 1 387 1 . . 1 1 14 14 ALA MB H . . . 1 1 13 13 SIN H32 H . . . . . 5.75 3.95 6.50 . . . . . A . 14 ALA MB . . A . 13 SIN H32 . A . 14 . HB* . . . A . 13 . H32 . . rr_1kqe 1 388 1 . . 2 1 16 16 VAL HA H . . . 1 1 14 14 ALA H H . . . . . 3.50 1.70 4.00 . . . . . B . 41 VAL HA . . A . 14 ALA H . B . 16 . HA . . . A . 14 . HN . . rr_1kqe 1 389 1 . . 1 1 14 14 ALA H H . . . 1 1 14 14 ALA HA H . . . . . 3.50 1.70 4.00 . . . . . A . 14 ALA H . . A . 14 ALA HA . A . 14 . HN . . . A . 14 . HA . . rr_1kqe 1 390 1 . . 1 1 14 14 ALA MB H . . . 1 1 14 14 ALA H H . . . . . 4.75 2.95 5.50 . . . . . A . 14 ALA MB . . A . 14 ALA H . A . 14 . HB* . . . A . 14 . HN . . rr_1kqe 1 391 1 . . 1 1 14 14 ALA H H . . . 1 1 13 13 SIN H31 H . . . . . 2.00 0.20 2.75 . . . . . A . 14 ALA H . . A . 13 SIN H31 . A . 14 . HN . . . A . 13 . H31 . . rr_1kqe 1 392 1 . . 1 1 14 14 ALA H H . . . 1 1 13 13 SIN H32 H . . . . . 3.25 1.45 4.00 . . . . . A . 14 ALA H . . A . 13 SIN H32 . A . 14 . HN . . . A . 13 . H32 . . rr_1kqe 1 393 1 . . 1 1 14 14 ALA HA H . . . 1 1 13 13 SIN H31 H . . . . . 4.50 2.70 5.00 . . . . . A . 14 ALA HA . . A . 13 SIN H31 . A . 14 . HA . . . A . 13 . H31 . . rr_1kqe 1 394 1 . . 1 1 14 14 ALA MB H . . . 1 1 13 13 SIN H31 H . . . . . 6.00 4.20 6.50 . . . . . A . 14 ALA MB . . A . 13 SIN H31 . A . 14 . HB* . . . A . 13 . H31 . . rr_1kqe 1 395 1 . . 1 1 14 14 ALA H H . . . 1 1 13 13 SIN H31 H . . . . . 2.00 0.20 2.75 . . . . . A . 14 ALA H . . A . 13 SIN H31 . A . 14 . HN . . . A . 13 . H31 . . rr_1kqe 1 396 1 . . 1 1 13 13 SIN H31 H . . . 1 1 13 13 SIN H32 H . . . . . 2.00 0.20 2.75 . . . . . A . 13 SIN H31 . . A . 13 SIN H32 . A . 13 . H31 . . . A . 13 . H32 . . rr_1kqe 1 397 1 . . 1 1 14 14 ALA HA H . . . 1 1 13 13 SIN H32 H . . . . . 4.25 2.45 5.00 . . . . . A . 14 ALA HA . . A . 13 SIN H32 . A . 14 . HA . . . A . 13 . H32 . . rr_1kqe 1 398 1 . . 1 1 14 14 ALA MB H . . . 1 1 13 13 SIN H32 H . . . . . 5.75 3.95 6.50 . . . . . A . 14 ALA MB . . A . 13 SIN H32 . A . 14 . HB* . . . A . 13 . H32 . . rr_1kqe 1 399 1 . . 1 1 14 14 ALA H H . . . 1 1 13 13 SIN H32 H . . . . . 3.25 1.45 4.00 . . . . . A . 14 ALA H . . A . 13 SIN H32 . A . 14 . HN . . . A . 13 . H32 . . rr_1kqe 1 400 1 . . 1 1 13 13 SIN H31 H . . . 1 1 13 13 SIN H32 H . . . . . 2.00 0.20 2.75 . . . . . A . 13 SIN H31 . . A . 13 SIN H32 . A . 13 . H31 . . . A . 13 . H32 . . rr_1kqe 1 401 1 . . 2 1 2 2 TRP HA H . . . 2 1 2 2 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . B . 27 TRP HA . . B . 27 TRP HB3 . B . 2 . HA . . . B . 2 . HB1 . . rr_1kqe 1 402 1 . . 2 1 2 2 TRP HA H . . . 2 1 2 2 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . B . 27 TRP HA . . B . 27 TRP HB2 . B . 2 . HA . . . B . 2 . HB2 . . rr_1kqe 1 403 1 . . 2 1 2 2 TRP HA H . . . 2 1 2 2 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HA . . B . 27 TRP HE3 . B . 2 . HA . . . B . 2 . HE3 . . rr_1kqe 1 404 1 . . 2 1 2 2 TRP HA H . . . 2 1 2 2 TRP H H . . . . . 3.25 1.45 4.00 . . . . . B . 27 TRP HA . . B . 27 TRP H . B . 2 . HA . . . B . 2 . HN . . rr_1kqe 1 405 1 . . 1 1 2 2 TRP HA H . . . 2 1 4 4 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HA . . B . 29 TRP HB3 . A . 2 . HA . . . B . 4 . HB1 . . rr_1kqe 1 406 1 . . 2 1 2 2 TRP HA H . . . 2 1 2 2 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . B . 27 TRP HA . . B . 27 TRP HB3 . B . 2 . HA . . . B . 2 . HB1 . . rr_1kqe 1 407 1 . . 2 1 2 2 TRP HE3 H . . . 2 1 2 2 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HE3 . . B . 27 TRP HB3 . B . 2 . HE3 . . . B . 2 . HB1 . . rr_1kqe 1 408 1 . . 2 1 2 2 TRP H H . . . 2 1 2 2 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . B . 27 TRP H . . B . 27 TRP HB3 . B . 2 . HN . . . B . 2 . HB1 . . rr_1kqe 1 409 1 . . 2 1 2 2 TRP HA H . . . 2 1 2 2 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . B . 27 TRP HA . . B . 27 TRP HB2 . B . 2 . HA . . . B . 2 . HB2 . . rr_1kqe 1 410 1 . . 2 1 2 2 TRP HE3 H . . . 2 1 2 2 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HE3 . . B . 27 TRP HB2 . B . 2 . HE3 . . . B . 2 . HB2 . . rr_1kqe 1 411 1 . . 2 1 2 2 TRP H H . . . 2 1 2 2 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP H . . B . 27 TRP HB2 . B . 2 . HN . . . B . 2 . HB2 . . rr_1kqe 1 412 1 . . 2 1 2 2 TRP HA H . . . 2 1 2 2 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . B . 27 TRP HA . . B . 27 TRP HD1 . B . 2 . HA . . . B . 2 . HD1 . . rr_1kqe 1 413 1 . . 2 1 2 2 TRP HD1 H . . . 2 1 2 2 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HD1 . . B . 27 TRP HB3 . B . 2 . HD1 . . . B . 2 . HB1 . . rr_1kqe 1 414 1 . . 2 1 2 2 TRP HD1 H . . . 2 1 2 2 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HD1 . . B . 27 TRP HB2 . B . 2 . HD1 . . . B . 2 . HB2 . . rr_1kqe 1 415 1 . . 2 1 2 2 TRP HD1 H . . . 2 1 2 2 TRP HE1 H . . . . . 3.25 1.45 4.00 . . . . . B . 27 TRP HD1 . . B . 27 TRP HE1 . B . 2 . HD1 . . . B . 2 . HE1 . . rr_1kqe 1 416 1 . . 1 1 2 2 TRP HD1 H . . . 2 1 4 4 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 2 TRP HD1 . . B . 29 TRP H . A . 2 . HD1 . . . B . 4 . HN . . rr_1kqe 1 417 1 . . 2 1 2 2 TRP HA H . . . 2 1 2 2 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HA . . B . 27 TRP HE3 . B . 2 . HA . . . B . 2 . HE3 . . rr_1kqe 1 418 1 . . 2 1 2 2 TRP HE3 H . . . 2 1 2 2 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HE3 . . B . 27 TRP HB3 . B . 2 . HE3 . . . B . 2 . HB1 . . rr_1kqe 1 419 1 . . 2 1 2 2 TRP HE3 H . . . 2 1 2 2 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HE3 . . B . 27 TRP HB2 . B . 2 . HE3 . . . B . 2 . HB2 . . rr_1kqe 1 420 1 . . 2 1 2 2 TRP HE3 H . . . 2 1 2 2 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HE3 . . B . 27 TRP HZ3 . B . 2 . HE3 . . . B . 2 . HZ3 . . rr_1kqe 1 421 1 . . 1 1 2 2 TRP HE3 H . . . 2 1 4 4 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HE3 . . B . 29 TRP HB3 . A . 2 . HE3 . . . B . 4 . HB1 . . rr_1kqe 1 422 1 . . 1 1 2 2 TRP HE3 H . . . 2 1 4 4 TRP H H . . . . . 4.50 2.70 5.00 . . . . . A . 2 TRP HE3 . . B . 29 TRP H . A . 2 . HE3 . . . B . 4 . HN . . rr_1kqe 1 423 1 . . 2 1 2 2 TRP HA H . . . 2 1 2 2 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HA . . B . 27 TRP H . B . 2 . HA . . . B . 2 . HN . . rr_1kqe 1 424 1 . . 2 1 2 2 TRP H H . . . 2 1 2 2 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP H . . B . 27 TRP HB3 . B . 2 . HN . . . B . 2 . HB1 . . rr_1kqe 1 425 1 . . 2 1 2 2 TRP H H . . . 2 1 2 2 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP H . . B . 27 TRP HB2 . B . 2 . HN . . . B . 2 . HB2 . . rr_1kqe 1 426 1 . . 1 1 2 2 TRP H H . . . 2 1 4 4 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 2 TRP H . . B . 29 TRP H . A . 2 . HN . . . B . 4 . HN . . rr_1kqe 1 427 1 . . 2 1 2 2 TRP HE3 H . . . 2 1 2 2 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . B . 27 TRP HE3 . . B . 27 TRP HZ3 . B . 2 . HE3 . . . B . 2 . HZ3 . . rr_1kqe 1 428 1 . . 2 1 4 4 TRP HB3 H . . . 2 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB3 . . B . 29 TRP HA . B . 4 . HB1 . . . B . 4 . HA . . rr_1kqe 1 429 1 . . 2 1 4 4 TRP HB2 H . . . 2 1 4 4 TRP HA H . . . . . 2.00 0.20 2.75 . . . . . B . 29 TRP HB2 . . B . 29 TRP HA . B . 4 . HB2 . . . B . 4 . HA . . rr_1kqe 1 430 1 . . 2 1 4 4 TRP HE3 H . . . 2 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HE3 . . B . 29 TRP HA . B . 4 . HE3 . . . B . 4 . HA . . rr_1kqe 1 431 1 . . 2 1 4 4 TRP H H . . . 2 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP H . . B . 29 TRP HA . B . 4 . HN . . . B . 4 . HA . . rr_1kqe 1 432 1 . . 2 1 2 2 TRP HA H . . . 1 1 4 4 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HA . . A . 4 TRP HB3 . B . 2 . HA . . . A . 4 . HB1 . . rr_1kqe 1 433 1 . . 1 1 4 4 TRP HB3 H . . . 2 1 2 2 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HB3 . . B . 27 TRP HE3 . A . 4 . HB1 . . . B . 2 . HE3 . . rr_1kqe 1 434 1 . . 2 1 4 4 TRP HB3 H . . . 2 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB3 . . B . 29 TRP HA . B . 4 . HB1 . . . B . 4 . HA . . rr_1kqe 1 435 1 . . 2 1 4 4 TRP HB3 H . . . 2 1 4 4 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . B . 29 TRP HB3 . . B . 29 TRP HB2 . B . 4 . HB1 . . . B . 4 . HB2 . . rr_1kqe 1 436 1 . . 2 1 4 4 TRP HB3 H . . . 2 1 4 4 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB3 . . B . 29 TRP HD1 . B . 4 . HB1 . . . B . 4 . HD1 . . rr_1kqe 1 437 1 . . 2 1 4 4 TRP HB3 H . . . 2 1 4 4 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB3 . . B . 29 TRP HE3 . B . 4 . HB1 . . . B . 4 . HE3 . . rr_1kqe 1 438 1 . . 2 1 4 4 TRP HB3 H . . . 2 1 4 4 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB3 . . B . 29 TRP H . B . 4 . HB1 . . . B . 4 . HN . . rr_1kqe 1 439 1 . . 1 1 4 4 TRP HB3 H . . . 2 1 6 6 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 4 TRP HB3 . . B . 31 TRP H . A . 4 . HB1 . . . B . 6 . HN . . rr_1kqe 1 440 1 . . 2 1 2 2 TRP HE3 H . . . 1 1 4 4 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 27 TRP HE3 . . A . 4 TRP HB2 . B . 2 . HE3 . . . A . 4 . HB2 . . rr_1kqe 1 441 1 . . 2 1 4 4 TRP HB2 H . . . 2 1 4 4 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . B . 29 TRP HB2 . . B . 29 TRP HA . B . 4 . HB2 . . . B . 4 . HA . . rr_1kqe 1 442 1 . . 2 1 4 4 TRP HB3 H . . . 2 1 4 4 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . B . 29 TRP HB3 . . B . 29 TRP HB2 . B . 4 . HB1 . . . B . 4 . HB2 . . rr_1kqe 1 443 1 . . 2 1 4 4 TRP HB2 H . . . 2 1 4 4 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB2 . . B . 29 TRP HD1 . B . 4 . HB2 . . . B . 4 . HD1 . . rr_1kqe 1 444 1 . . 2 1 4 4 TRP HB2 H . . . 2 1 4 4 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB2 . . B . 29 TRP HE3 . B . 4 . HB2 . . . B . 4 . HE3 . . rr_1kqe 1 445 1 . . 2 1 4 4 TRP HB2 H . . . 2 1 4 4 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB2 . . B . 29 TRP H . B . 4 . HB2 . . . B . 4 . HN . . rr_1kqe 1 446 1 . . 1 1 4 4 TRP HB2 H . . . 2 1 6 6 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HB2 . . B . 31 TRP H . A . 4 . HB2 . . . B . 6 . HN . . rr_1kqe 1 447 1 . . 2 1 2 2 TRP HA H . . . 1 1 4 4 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . B . 27 TRP HA . . A . 4 TRP HD1 . B . 2 . HA . . . A . 4 . HD1 . . rr_1kqe 1 448 1 . . 2 1 4 4 TRP HD1 H . . . 2 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HD1 . . B . 29 TRP HA . B . 4 . HD1 . . . B . 4 . HA . . rr_1kqe 1 449 1 . . 2 1 4 4 TRP HB3 H . . . 2 1 4 4 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB3 . . B . 29 TRP HD1 . B . 4 . HB1 . . . B . 4 . HD1 . . rr_1kqe 1 450 1 . . 2 1 4 4 TRP HB2 H . . . 2 1 4 4 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB2 . . B . 29 TRP HD1 . B . 4 . HB2 . . . B . 4 . HD1 . . rr_1kqe 1 451 1 . . 2 1 4 4 TRP HD1 H . . . 2 1 4 4 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 29 TRP HD1 . . B . 29 TRP HE1 . B . 4 . HD1 . . . B . 4 . HE1 . . rr_1kqe 1 452 1 OR . 1 1 4 4 TRP HD1 H . . . 2 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 4 TRP HD1 . . B . 31 TRP HB2 . A . 4 . HD1 . . . B . 6 . HB* . . rr_1kqe 1 452 2 OR . 1 1 4 4 TRP HD1 H . . . 2 1 6 6 TRP HB3 H . . . . . 4.40 2.60 4.90 . . . . . A . 4 TRP HD1 . . B . 31 TRP HB3 . A . 4 . HD1 . . . B . 6 . HB* . . rr_1kqe 1 453 1 . . 2 1 4 4 TRP HD1 H . . . 2 1 4 4 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 29 TRP HD1 . . B . 29 TRP HE1 . B . 4 . HD1 . . . B . 4 . HE1 . . rr_1kqe 1 454 1 OR . 1 1 4 4 TRP HE1 H . . . 2 1 6 6 TRP HB2 H . . . . . 5.15 3.35 5.90 . . . . . A . 4 TRP HE1 . . B . 31 TRP HB2 . A . 4 . HE1 . . . B . 6 . HB* . . rr_1kqe 1 454 2 OR . 1 1 4 4 TRP HE1 H . . . 2 1 6 6 TRP HB3 H . . . . . 5.15 3.35 5.90 . . . . . A . 4 TRP HE1 . . B . 31 TRP HB3 . A . 4 . HE1 . . . B . 6 . HB* . . rr_1kqe 1 455 1 . . 2 1 4 4 TRP HE3 H . . . 2 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HE3 . . B . 29 TRP HA . B . 4 . HE3 . . . B . 4 . HA . . rr_1kqe 1 456 1 . . 2 1 4 4 TRP HB3 H . . . 2 1 4 4 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB3 . . B . 29 TRP HE3 . B . 4 . HB1 . . . B . 4 . HE3 . . rr_1kqe 1 457 1 . . 2 1 4 4 TRP HB2 H . . . 2 1 4 4 TRP HE3 H . . . . . 3.25 1.45 4.00 . . . . . B . 29 TRP HB2 . . B . 29 TRP HE3 . B . 4 . HB2 . . . B . 4 . HE3 . . rr_1kqe 1 458 1 . . 2 1 4 4 TRP HE3 H . . . 2 1 4 4 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HE3 . . B . 29 TRP HZ3 . B . 4 . HE3 . . . B . 4 . HZ3 . . rr_1kqe 1 459 1 . . 1 1 4 4 TRP HE3 H . . . 2 1 6 6 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP HE3 . . B . 31 TRP H . A . 4 . HE3 . . . B . 6 . HN . . rr_1kqe 1 460 1 . . 1 1 2 2 TRP HA H . . . 2 1 4 4 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 2 TRP HA . . B . 29 TRP H . A . 2 . HA . . . B . 4 . HN . . rr_1kqe 1 461 1 . . 1 1 4 4 TRP H H . . . 2 1 2 2 TRP HE3 H . . . . . 4.50 2.70 5.00 . . . . . A . 4 TRP H . . B . 27 TRP HE3 . A . 4 . HN . . . B . 2 . HE3 . . rr_1kqe 1 462 1 . . 2 1 4 4 TRP H H . . . 2 1 4 4 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP H . . B . 29 TRP HA . B . 4 . HN . . . B . 4 . HA . . rr_1kqe 1 463 1 . . 2 1 4 4 TRP HB3 H . . . 2 1 4 4 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB3 . . B . 29 TRP H . B . 4 . HB1 . . . B . 4 . HN . . rr_1kqe 1 464 1 . . 2 1 4 4 TRP HB2 H . . . 2 1 4 4 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HB2 . . B . 29 TRP H . B . 4 . HB2 . . . B . 4 . HN . . rr_1kqe 1 465 1 . . 1 1 4 4 TRP H H . . . 2 1 6 6 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 4 TRP H . . B . 31 TRP H . A . 4 . HN . . . B . 6 . HN . . rr_1kqe 1 466 1 . . 2 1 4 4 TRP HE1 H . . . 2 1 4 4 TRP HZ2 H . . . . . 4.25 2.45 5.00 . . . . . B . 29 TRP HE1 . . B . 29 TRP HZ2 . B . 4 . HE1 . . . B . 4 . HZ2 . . rr_1kqe 1 467 1 . . 2 1 4 4 TRP HE3 H . . . 2 1 4 4 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . B . 29 TRP HE3 . . B . 29 TRP HZ3 . B . 4 . HE3 . . . B . 4 . HZ3 . . rr_1kqe 1 468 1 OR . 2 1 6 6 TRP HA H . . . 2 1 6 6 TRP HB2 H . . . . . 2.90 1.10 3.65 . . . . . B . 31 TRP HA . . B . 31 TRP HB2 . B . 6 . HA . . . B . 6 . HB* . . rr_1kqe 1 468 2 OR . 2 1 6 6 TRP HA H . . . 2 1 6 6 TRP HB3 H . . . . . 2.90 1.10 3.65 . . . . . B . 31 TRP HA . . B . 31 TRP HB3 . B . 6 . HA . . . B . 6 . HB* . . rr_1kqe 1 469 1 . . 2 1 6 6 TRP HA H . . . 2 1 6 6 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 31 TRP HA . . B . 31 TRP HD1 . B . 6 . HA . . . B . 6 . HD1 . . rr_1kqe 1 470 1 . . 2 1 6 6 TRP HA H . . . 2 1 6 6 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 31 TRP HA . . B . 31 TRP HE3 . B . 6 . HA . . . B . 6 . HE3 . . rr_1kqe 1 471 1 . . 2 1 6 6 TRP HA H . . . 2 1 6 6 TRP H H . . . . . 3.25 1.45 4.00 . . . . . B . 31 TRP HA . . B . 31 TRP H . B . 6 . HA . . . B . 6 . HN . . rr_1kqe 1 472 1 . . 1 1 6 6 TRP HA H . . . 2 1 8 8 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HA . . B . 33 TRP HB3 . A . 6 . HA . . . B . 8 . HB1 . . rr_1kqe 1 473 1 . . 1 1 6 6 TRP HA H . . . 2 1 8 8 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HA . . B . 33 TRP HB2 . A . 6 . HA . . . B . 8 . HB2 . . rr_1kqe 1 474 1 . . 1 1 6 6 TRP HA H . . . 2 1 8 8 TRP H H . . . . . 3.25 1.45 4.00 . . . . . A . 6 TRP HA . . B . 33 TRP H . A . 6 . HA . . . B . 8 . HN . . rr_1kqe 1 475 1 OR . 2 1 4 4 TRP HE3 H . . . 1 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 29 TRP HE3 . . A . 6 TRP HB2 . B . 4 . HE3 . . . A . 6 . HB* . . rr_1kqe 1 475 2 OR . 1 1 6 6 TRP HB3 H . . . 2 1 4 4 TRP HE3 H . . . . . 4.40 2.60 4.90 . . . . . A . 6 TRP HB3 . . B . 29 TRP HE3 . A . 6 . HB* . . . B . 4 . HE3 . . rr_1kqe 1 476 1 OR . 2 1 6 6 TRP HA H . . . 2 1 6 6 TRP HB2 H . . . . . 2.90 1.10 3.65 . . . . . B . 31 TRP HA . . B . 31 TRP HB2 . B . 6 . HA . . . B . 6 . HB* . . rr_1kqe 1 476 2 OR . 2 1 6 6 TRP HA H . . . 2 1 6 6 TRP HB3 H . . . . . 2.90 1.10 3.65 . . . . . B . 31 TRP HA . . B . 31 TRP HB3 . B . 6 . HA . . . B . 6 . HB* . . rr_1kqe 1 477 1 OR . 2 1 6 6 TRP HD1 H . . . 2 1 6 6 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . B . 31 TRP HD1 . . B . 31 TRP HB2 . B . 6 . HD1 . . . B . 6 . HB* . . rr_1kqe 1 477 2 OR . 2 1 6 6 TRP HB3 H . . . 2 1 6 6 TRP HD1 H . . . . . 4.15 2.35 4.90 . . . . . B . 31 TRP HB3 . . B . 31 TRP HD1 . B . 6 . HB* . . . B . 6 . HD1 . . rr_1kqe 1 478 1 OR . 2 1 6 6 TRP HE3 H . . . 2 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 31 TRP HE3 . . B . 31 TRP HB2 . B . 6 . HE3 . . . B . 6 . HB* . . rr_1kqe 1 478 2 OR . 2 1 6 6 TRP HB3 H . . . 2 1 6 6 TRP HE3 H . . . . . 4.40 2.60 4.90 . . . . . B . 31 TRP HB3 . . B . 31 TRP HE3 . B . 6 . HB* . . . B . 6 . HE3 . . rr_1kqe 1 479 1 OR . 2 1 6 6 TRP H H . . . 2 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 31 TRP H . . B . 31 TRP HB2 . B . 6 . HN . . . B . 6 . HB* . . rr_1kqe 1 479 2 OR . 2 1 6 6 TRP HB3 H . . . 2 1 6 6 TRP H H . . . . . 4.40 2.60 4.90 . . . . . B . 31 TRP HB3 . . B . 31 TRP H . B . 6 . HB* . . . B . 6 . HN . . rr_1kqe 1 480 1 OR . 2 1 8 8 TRP H H . . . 1 1 6 6 TRP HB2 H . . . . . 5.40 3.60 5.90 . . . . . B . 33 TRP H . . A . 6 TRP HB2 . B . 8 . HN . . . A . 6 . HB* . . rr_1kqe 1 480 2 OR . 1 1 6 6 TRP HB3 H . . . 2 1 8 8 TRP H H . . . . . 5.40 3.60 5.90 . . . . . A . 6 TRP HB3 . . B . 33 TRP H . A . 6 . HB* . . . B . 8 . HN . . rr_1kqe 1 481 1 . . 2 1 6 6 TRP HA H . . . 2 1 6 6 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 31 TRP HA . . B . 31 TRP HD1 . B . 6 . HA . . . B . 6 . HD1 . . rr_1kqe 1 482 1 OR . 2 1 6 6 TRP HD1 H . . . 2 1 6 6 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . B . 31 TRP HD1 . . B . 31 TRP HB2 . B . 6 . HD1 . . . B . 6 . HB* . . rr_1kqe 1 482 2 OR . 2 1 6 6 TRP HB3 H . . . 2 1 6 6 TRP HD1 H . . . . . 4.15 2.35 4.90 . . . . . B . 31 TRP HB3 . . B . 31 TRP HD1 . B . 6 . HB* . . . B . 6 . HD1 . . rr_1kqe 1 483 1 . . 2 1 6 6 TRP HD1 H . . . 2 1 6 6 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 31 TRP HD1 . . B . 31 TRP HE1 . B . 6 . HD1 . . . B . 6 . HE1 . . rr_1kqe 1 484 1 . . 2 1 6 6 TRP HD1 H . . . 2 1 6 6 TRP H H . . . . . 4.25 2.45 5.00 . . . . . B . 31 TRP HD1 . . B . 31 TRP H . B . 6 . HD1 . . . B . 6 . HN . . rr_1kqe 1 485 1 . . 1 1 6 6 TRP HD1 H . . . 2 1 8 8 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HD1 . . B . 33 TRP HB3 . A . 6 . HD1 . . . B . 8 . HB1 . . rr_1kqe 1 486 1 . . 1 1 6 6 TRP HD1 H . . . 2 1 8 8 TRP HB2 H . . . . . 4.50 2.70 5.00 . . . . . A . 6 TRP HD1 . . B . 33 TRP HB2 . A . 6 . HD1 . . . B . 8 . HB2 . . rr_1kqe 1 487 1 . . 1 1 6 6 TRP HD1 H . . . 2 1 8 8 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 6 TRP HD1 . . B . 33 TRP H . A . 6 . HD1 . . . B . 8 . HN . . rr_1kqe 1 488 1 OR . 2 1 6 6 TRP HE1 H . . . 2 1 6 6 TRP HB2 H . . . . . 5.15 3.35 5.90 . . . . . B . 31 TRP HE1 . . B . 31 TRP HB2 . B . 6 . HE1 . . . B . 6 . HB* . . rr_1kqe 1 488 2 OR . 2 1 6 6 TRP HB3 H . . . 2 1 6 6 TRP HE1 H . . . . . 5.15 3.35 5.90 . . . . . B . 31 TRP HB3 . . B . 31 TRP HE1 . B . 6 . HB* . . . B . 6 . HE1 . . rr_1kqe 1 489 1 . . 2 1 6 6 TRP HD1 H . . . 2 1 6 6 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 31 TRP HD1 . . B . 31 TRP HE1 . B . 6 . HD1 . . . B . 6 . HE1 . . rr_1kqe 1 490 1 . . 2 1 6 6 TRP HA H . . . 2 1 6 6 TRP HE3 H . . . . . 4.50 2.70 5.00 . . . . . B . 31 TRP HA . . B . 31 TRP HE3 . B . 6 . HA . . . B . 6 . HE3 . . rr_1kqe 1 491 1 OR . 2 1 6 6 TRP HE3 H . . . 2 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 31 TRP HE3 . . B . 31 TRP HB2 . B . 6 . HE3 . . . B . 6 . HB* . . rr_1kqe 1 491 2 OR . 2 1 6 6 TRP HB3 H . . . 2 1 6 6 TRP HE3 H . . . . . 4.40 2.60 4.90 . . . . . B . 31 TRP HB3 . . B . 31 TRP HE3 . B . 6 . HB* . . . B . 6 . HE3 . . rr_1kqe 1 492 1 . . 2 1 6 6 TRP HE3 H . . . 2 1 6 6 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . B . 31 TRP HE3 . . B . 31 TRP HZ3 . B . 6 . HE3 . . . B . 6 . HZ3 . . rr_1kqe 1 493 1 . . 1 1 6 6 TRP HE3 H . . . 2 1 8 8 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HE3 . . B . 33 TRP HB3 . A . 6 . HE3 . . . B . 8 . HB1 . . rr_1kqe 1 494 1 . . 1 1 6 6 TRP HE3 H . . . 2 1 8 8 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HE3 . . B . 33 TRP HB2 . A . 6 . HE3 . . . B . 8 . HB2 . . rr_1kqe 1 495 1 . . 1 1 6 6 TRP HE3 H . . . 2 1 8 8 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP HE3 . . B . 33 TRP H . A . 6 . HE3 . . . B . 8 . HN . . rr_1kqe 1 496 1 . . 1 1 6 6 TRP H H . . . 2 1 4 4 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 6 TRP H . . B . 29 TRP HE3 . A . 6 . HN . . . B . 4 . HE3 . . rr_1kqe 1 497 1 . . 2 1 6 6 TRP HA H . . . 2 1 6 6 TRP H H . . . . . 3.25 1.45 4.00 . . . . . B . 31 TRP HA . . B . 31 TRP H . B . 6 . HA . . . B . 6 . HN . . rr_1kqe 1 498 1 OR . 2 1 6 6 TRP H H . . . 2 1 6 6 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . B . 31 TRP H . . B . 31 TRP HB2 . B . 6 . HN . . . B . 6 . HB* . . rr_1kqe 1 498 2 OR . 2 1 6 6 TRP HB3 H . . . 2 1 6 6 TRP H H . . . . . 4.15 2.35 4.90 . . . . . B . 31 TRP HB3 . . B . 31 TRP H . B . 6 . HB* . . . B . 6 . HN . . rr_1kqe 1 499 1 . . 2 1 6 6 TRP HD1 H . . . 2 1 6 6 TRP H H . . . . . 4.25 2.45 5.00 . . . . . B . 31 TRP HD1 . . B . 31 TRP H . B . 6 . HD1 . . . B . 6 . HN . . rr_1kqe 1 500 1 . . 1 1 6 6 TRP H H . . . 2 1 8 8 TRP H H . . . . . 4.50 2.70 5.00 . . . . . A . 6 TRP H . . B . 33 TRP H . A . 6 . HN . . . B . 8 . HN . . rr_1kqe 1 501 1 . . 2 1 8 8 TRP HA H . . . 2 1 8 8 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HA . . B . 33 TRP HB3 . B . 8 . HA . . . B . 8 . HB1 . . rr_1kqe 1 502 1 . . 2 1 8 8 TRP HA H . . . 2 1 8 8 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . B . 33 TRP HA . . B . 33 TRP HB2 . B . 8 . HA . . . B . 8 . HB2 . . rr_1kqe 1 503 1 . . 2 1 8 8 TRP HA H . . . 2 1 8 8 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HA . . B . 33 TRP HE3 . B . 8 . HA . . . B . 8 . HE3 . . rr_1kqe 1 504 1 . . 2 1 8 8 TRP HA H . . . 2 1 8 8 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HA . . B . 33 TRP H . B . 8 . HA . . . B . 8 . HN . . rr_1kqe 1 505 1 . . 1 1 8 8 TRP HA H . . . 2 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HA . . B . 35 VAL HB . A . 8 . HA . . . B . 10 . HB* . . rr_1kqe 1 506 1 . . 1 1 8 8 TRP HA H . . . 2 1 10 10 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 8 TRP HA . . B . 35 VAL MG2 . A . 8 . HA . . . B . 10 . HG2* . . rr_1kqe 1 507 1 . . 1 1 8 8 TRP HA H . . . 2 1 10 10 VAL H H . . . . . 3.25 1.45 4.00 . . . . . A . 8 TRP HA . . B . 35 VAL H . A . 8 . HA . . . B . 10 . HN . . rr_1kqe 1 508 1 . . 1 1 8 8 TRP HB3 H . . . 2 1 6 6 TRP HD1 H . . . . . 3.25 1.45 4.00 . . . . . A . 8 TRP HB3 . . B . 31 TRP HD1 . A . 8 . HB1 . . . B . 6 . HD1 . . rr_1kqe 1 509 1 . . 1 1 8 8 TRP HB3 H . . . 2 1 6 6 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB3 . . B . 31 TRP HE3 . A . 8 . HB1 . . . B . 6 . HE3 . . rr_1kqe 1 510 1 . . 2 1 8 8 TRP HA H . . . 2 1 8 8 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . B . 33 TRP HA . . B . 33 TRP HB3 . B . 8 . HA . . . B . 8 . HB1 . . rr_1kqe 1 511 1 . . 2 1 8 8 TRP HB3 H . . . 2 1 8 8 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . B . 33 TRP HB3 . . B . 33 TRP HB2 . B . 8 . HB1 . . . B . 8 . HB2 . . rr_1kqe 1 512 1 . . 2 1 8 8 TRP HB3 H . . . 2 1 8 8 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HB3 . . B . 33 TRP HE3 . B . 8 . HB1 . . . B . 8 . HE3 . . rr_1kqe 1 513 1 . . 2 1 8 8 TRP HB3 H . . . 2 1 8 8 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HB3 . . B . 33 TRP H . B . 8 . HB1 . . . B . 8 . HN . . rr_1kqe 1 514 1 . . 1 1 8 8 TRP HB3 H . . . 2 1 10 10 VAL H H . . . . . 4.50 2.70 5.00 . . . . . A . 8 TRP HB3 . . B . 35 VAL H . A . 8 . HB1 . . . B . 10 . HN . . rr_1kqe 1 515 1 . . 1 1 8 8 TRP HB2 H . . . 2 1 6 6 TRP HD1 H . . . . . 4.50 2.70 5.00 . . . . . A . 8 TRP HB2 . . B . 31 TRP HD1 . A . 8 . HB2 . . . B . 6 . HD1 . . rr_1kqe 1 516 1 . . 1 1 8 8 TRP HB2 H . . . 2 1 6 6 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB2 . . B . 31 TRP HE3 . A . 8 . HB2 . . . B . 6 . HE3 . . rr_1kqe 1 517 1 . . 2 1 8 8 TRP HA H . . . 2 1 8 8 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . B . 33 TRP HA . . B . 33 TRP HB2 . B . 8 . HA . . . B . 8 . HB2 . . rr_1kqe 1 518 1 . . 2 1 8 8 TRP HB3 H . . . 2 1 8 8 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . B . 33 TRP HB3 . . B . 33 TRP HB2 . B . 8 . HB1 . . . B . 8 . HB2 . . rr_1kqe 1 519 1 . . 2 1 8 8 TRP HB2 H . . . 2 1 8 8 TRP HE3 H . . . . . 3.25 1.45 4.00 . . . . . B . 33 TRP HB2 . . B . 33 TRP HE3 . B . 8 . HB2 . . . B . 8 . HE3 . . rr_1kqe 1 520 1 . . 2 1 8 8 TRP HB2 H . . . 2 1 8 8 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HB2 . . B . 33 TRP H . B . 8 . HB2 . . . B . 8 . HN . . rr_1kqe 1 521 1 . . 1 1 8 8 TRP HB2 H . . . 2 1 10 10 VAL H H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HB2 . . B . 35 VAL H . A . 8 . HB2 . . . B . 10 . HN . . rr_1kqe 1 522 1 OR . 1 1 8 8 TRP HD1 H . . . 2 1 6 6 TRP HB2 H . . . . . 5.40 3.60 5.90 . . . . . A . 8 TRP HD1 . . B . 31 TRP HB2 . A . 8 . HD1 . . . B . 6 . HB* . . rr_1kqe 1 522 2 OR . 1 1 8 8 TRP HD1 H . . . 2 1 6 6 TRP HB3 H . . . . . 5.40 3.60 5.90 . . . . . A . 8 TRP HD1 . . B . 31 TRP HB3 . A . 8 . HD1 . . . B . 6 . HB* . . rr_1kqe 1 523 1 . . 2 1 8 8 TRP HA H . . . 2 1 8 8 TRP HD1 H . . . . . 4.50 2.70 5.00 . . . . . B . 33 TRP HA . . B . 33 TRP HD1 . B . 8 . HA . . . B . 8 . HD1 . . rr_1kqe 1 524 1 . . 2 1 8 8 TRP HB3 H . . . 2 1 8 8 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HB3 . . B . 33 TRP HD1 . B . 8 . HB1 . . . B . 8 . HD1 . . rr_1kqe 1 525 1 . . 2 1 8 8 TRP HB2 H . . . 2 1 8 8 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HB2 . . B . 33 TRP HD1 . B . 8 . HB2 . . . B . 8 . HD1 . . rr_1kqe 1 526 1 . . 2 1 8 8 TRP HD1 H . . . 2 1 8 8 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 33 TRP HD1 . . B . 33 TRP HE1 . B . 8 . HD1 . . . B . 8 . HE1 . . rr_1kqe 1 527 1 . . 1 1 8 8 TRP HD1 H . . . 2 1 10 10 VAL MG2 H . . . . . 6.00 4.20 6.50 . . . . . A . 8 TRP HD1 . . B . 35 VAL MG2 . A . 8 . HD1 . . . B . 10 . HG2* . . rr_1kqe 1 528 1 . . 2 1 8 8 TRP HD1 H . . . 2 1 8 8 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 33 TRP HD1 . . B . 33 TRP HE1 . B . 8 . HD1 . . . B . 8 . HE1 . . rr_1kqe 1 529 1 . . 2 1 8 8 TRP HA H . . . 2 1 8 8 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HA . . B . 33 TRP HE3 . B . 8 . HA . . . B . 8 . HE3 . . rr_1kqe 1 530 1 . . 2 1 8 8 TRP HB3 H . . . 2 1 8 8 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HB3 . . B . 33 TRP HE3 . B . 8 . HB1 . . . B . 8 . HE3 . . rr_1kqe 1 531 1 . . 2 1 8 8 TRP HB2 H . . . 2 1 8 8 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HB2 . . B . 33 TRP HE3 . B . 8 . HB2 . . . B . 8 . HE3 . . rr_1kqe 1 532 1 . . 2 1 8 8 TRP HE3 H . . . 2 1 8 8 TRP H H . . . . . 4.25 2.45 5.00 . . . . . B . 33 TRP HE3 . . B . 33 TRP H . B . 8 . HE3 . . . B . 8 . HN . . rr_1kqe 1 533 1 . . 2 1 8 8 TRP HE3 H . . . 2 1 8 8 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . B . 33 TRP HE3 . . B . 33 TRP HZ3 . B . 8 . HE3 . . . B . 8 . HZ3 . . rr_1kqe 1 534 1 . . 1 1 8 8 TRP HE3 H . . . 2 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP HE3 . . B . 35 VAL HB . A . 8 . HE3 . . . B . 10 . HB . . rr_1kqe 1 535 1 . . 1 1 8 8 TRP HE3 H . . . 2 1 10 10 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 8 TRP HE3 . . B . 35 VAL MG2 . A . 8 . HE3 . . . B . 10 . HG2* . . rr_1kqe 1 536 1 OR . 1 1 8 8 TRP H H . . . 2 1 6 6 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 8 TRP H . . B . 31 TRP HB2 . A . 8 . HN . . . B . 6 . HB* . . rr_1kqe 1 536 2 OR . 1 1 8 8 TRP H H . . . 2 1 6 6 TRP HB3 H . . . . . 4.40 2.60 4.90 . . . . . A . 8 TRP H . . B . 31 TRP HB3 . A . 8 . HN . . . B . 6 . HB* . . rr_1kqe 1 537 1 . . 1 1 8 8 TRP H H . . . 2 1 6 6 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 8 TRP H . . B . 31 TRP HE3 . A . 8 . HN . . . B . 6 . HE3 . . rr_1kqe 1 538 1 . . 2 1 8 8 TRP HA H . . . 2 1 8 8 TRP H H . . . . . 3.25 1.45 4.00 . . . . . B . 33 TRP HA . . B . 33 TRP H . B . 8 . HA . . . B . 8 . HN . . rr_1kqe 1 539 1 . . 2 1 8 8 TRP HB3 H . . . 2 1 8 8 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HB3 . . B . 33 TRP H . B . 8 . HB1 . . . B . 8 . HN . . rr_1kqe 1 540 1 . . 2 1 8 8 TRP HB2 H . . . 2 1 8 8 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HB2 . . B . 33 TRP H . B . 8 . HB2 . . . B . 8 . HN . . rr_1kqe 1 541 1 . . 2 1 8 8 TRP HD1 H . . . 2 1 8 8 TRP H H . . . . . 4.25 2.45 5.00 . . . . . B . 33 TRP HD1 . . B . 33 TRP H . B . 8 . HD1 . . . B . 8 . HN . . rr_1kqe 1 542 1 . . 2 1 8 8 TRP HA H . . . 2 1 8 8 TRP HZ3 H . . . . . 4.25 2.45 5.00 . . . . . B . 33 TRP HA . . B . 33 TRP HZ3 . B . 8 . HA . . . B . 8 . HZ3 . . rr_1kqe 1 543 1 . . 2 1 8 8 TRP HE3 H . . . 2 1 8 8 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . B . 33 TRP HE3 . . B . 33 TRP HZ3 . B . 8 . HE3 . . . B . 8 . HZ3 . . rr_1kqe 1 544 1 . . 1 1 8 8 TRP HZ3 H . . . 2 1 10 10 VAL HB H . . . . . 4.50 2.70 5.00 . . . . . A . 8 TRP HZ3 . . B . 35 VAL HB . A . 8 . HZ3 . . . B . 10 . HB . . rr_1kqe 1 545 1 . . 1 1 8 8 TRP HZ3 H . . . 2 1 10 10 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 8 TRP HZ3 . . B . 35 VAL MG2 . A . 8 . HZ3 . . . B . 10 . HG2* . . rr_1kqe 1 546 1 . . 2 1 10 10 VAL HA H . . . 2 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 35 VAL HA . . B . 35 VAL HB . B . 10 . HA . . . B . 10 . HB . . rr_1kqe 1 547 1 . . 2 1 10 10 VAL HA H . . . 2 1 10 10 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . B . 35 VAL HA . . B . 35 VAL MG1 . B . 10 . HA . . . B . 10 . HG1* . . rr_1kqe 1 548 1 . . 2 1 10 10 VAL HA H . . . 2 1 10 10 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . B . 35 VAL HA . . B . 35 VAL MG2 . B . 10 . HA . . . B . 10 . HG2* . . rr_1kqe 1 549 1 . . 2 1 10 10 VAL HA H . . . 2 1 10 10 VAL H H . . . . . 3.50 1.70 4.00 . . . . . B . 35 VAL HA . . B . 35 VAL H . B . 10 . HA . . . B . 10 . HN . . rr_1kqe 1 550 1 . . 1 1 10 10 VAL HA H . . . 2 1 12 12 ALA MB H . . . . . 4.75 2.95 5.50 . . . . . A . 10 VAL HA . . B . 37 ALA MB . A . 10 . HA . . . B . 12 . HB* . . rr_1kqe 1 551 1 . . 1 1 10 10 VAL HA H . . . 2 1 12 12 ALA H H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL HA . . B . 37 ALA H . A . 10 . HA . . . B . 12 . HN . . rr_1kqe 1 552 1 . . 2 1 8 8 TRP HA H . . . 1 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HA . . A . 10 VAL HB . B . 8 . HA . . . A . 10 . HB . . rr_1kqe 1 553 1 . . 2 1 8 8 TRP HE3 H . . . 1 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 33 TRP HE3 . . A . 10 VAL HB . B . 8 . HE3 . . . A . 10 . HB . . rr_1kqe 1 554 1 . . 1 1 10 10 VAL HB H . . . 2 1 8 8 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL HB . . B . 33 TRP HZ3 . A . 10 . HB . . . B . 8 . HZ3 . . rr_1kqe 1 555 1 . . 2 1 10 10 VAL HA H . . . 2 1 10 10 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 35 VAL HA . . B . 35 VAL HB . B . 10 . HA . . . B . 10 . HB . . rr_1kqe 1 556 1 . . 2 1 10 10 VAL HB H . . . 2 1 10 10 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . B . 35 VAL HB . . B . 35 VAL MG1 . B . 10 . HB . . . B . 10 . HG1* . . rr_1kqe 1 557 1 . . 2 1 10 10 VAL HB H . . . 2 1 10 10 VAL MG2 H . . . . . 4.75 1.95 5.50 . . . . . B . 35 VAL HB . . B . 35 VAL MG2 . B . 10 . HB . . . B . 10 . HG2* . . rr_1kqe 1 558 1 . . 2 1 10 10 VAL HB H . . . 2 1 10 10 VAL H H . . . . . 3.50 1.70 4.00 . . . . . B . 35 VAL HB . . B . 35 VAL H . B . 10 . HB . . . B . 10 . HN . . rr_1kqe 1 559 1 . . 2 1 8 8 TRP HE3 H . . . 1 1 10 10 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . B . 33 TRP HE3 . . A . 10 VAL MG1 . B . 8 . HE3 . . . A . 10 . HG1* . . rr_1kqe 1 560 1 . . 2 1 8 8 TRP HZ3 H . . . 1 1 10 10 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . B . 33 TRP HZ3 . . A . 10 VAL MG1 . B . 8 . HZ3 . . . A . 10 . HG1* . . rr_1kqe 1 561 1 . . 2 1 10 10 VAL HA H . . . 2 1 10 10 VAL MG1 H . . . . . 5.00 2.20 5.50 . . . . . B . 35 VAL HA . . B . 35 VAL MG1 . B . 10 . HA . . . B . 10 . HG1* . . rr_1kqe 1 562 1 . . 2 1 10 10 VAL HB H . . . 2 1 10 10 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . B . 35 VAL HB . . B . 35 VAL MG1 . B . 10 . HB . . . B . 10 . HG1* . . rr_1kqe 1 563 1 . . 2 1 10 10 VAL MG1 H . . . 2 1 10 10 VAL H H . . . . . 5.00 3.20 5.50 . . . . . B . 35 VAL MG1 . . B . 35 VAL H . B . 10 . HG1* . . . B . 10 . HN . . rr_1kqe 1 564 1 . . 1 1 10 10 VAL MG1 H . . . 2 1 12 12 ALA MB H . . . . . 6.50 3.70 7.00 . . . . . A . 10 VAL MG1 . . B . 37 ALA MB . A . 10 . HG1* . . . B . 12 . HB* . . rr_1kqe 1 565 1 . . 2 1 8 8 TRP HA H . . . 1 1 10 10 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . B . 33 TRP HA . . A . 10 VAL MG2 . B . 8 . HA . . . A . 10 . HG2* . . rr_1kqe 1 566 1 . . 1 1 10 10 VAL MG2 H . . . 2 1 8 8 TRP HE3 H . . . . . 5.00 3.20 5.50 . . . . . A . 10 VAL MG2 . . B . 33 TRP HE3 . A . 10 . HG2* . . . B . 8 . HE3 . . rr_1kqe 1 567 1 . . 1 1 10 10 VAL MG2 H . . . 2 1 8 8 TRP HZ3 H . . . . . 5.00 3.20 5.50 . . . . . A . 10 VAL MG2 . . B . 33 TRP HZ3 . A . 10 . HG2* . . . B . 8 . HZ3 . . rr_1kqe 1 568 1 . . 2 1 10 10 VAL HA H . . . 2 1 10 10 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . B . 35 VAL HA . . B . 35 VAL MG2 . B . 10 . HA . . . B . 10 . HG2* . . rr_1kqe 1 569 1 . . 2 1 10 10 VAL HB H . . . 2 1 10 10 VAL MG2 H . . . . . 4.75 1.95 5.50 . . . . . B . 35 VAL HB . . B . 35 VAL MG2 . B . 10 . HB . . . B . 10 . HG2* . . rr_1kqe 1 570 1 . . 2 1 10 10 VAL MG2 H . . . 2 1 10 10 VAL H H . . . . . 5.00 3.20 5.50 . . . . . B . 35 VAL MG2 . . B . 35 VAL H . B . 10 . HG2* . . . B . 10 . HN . . rr_1kqe 1 571 1 . . 1 1 10 10 VAL H H . . . 2 1 8 8 TRP HB3 H . . . . . 4.50 2.70 5.00 . . . . . A . 10 VAL H . . B . 33 TRP HB3 . A . 10 . HN . . . B . 8 . HB1 . . rr_1kqe 1 572 1 . . 1 1 10 10 VAL H H . . . 2 1 8 8 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL H . . B . 33 TRP HB2 . A . 10 . HN . . . B . 8 . HB2 . . rr_1kqe 1 573 1 . . 2 1 10 10 VAL HA H . . . 2 1 10 10 VAL H H . . . . . 3.50 1.70 4.00 . . . . . B . 35 VAL HA . . B . 35 VAL H . B . 10 . HA . . . B . 10 . HN . . rr_1kqe 1 574 1 . . 2 1 10 10 VAL HB H . . . 2 1 10 10 VAL H H . . . . . 3.50 1.70 4.00 . . . . . B . 35 VAL HB . . B . 35 VAL H . B . 10 . HB . . . B . 10 . HN . . rr_1kqe 1 575 1 . . 2 1 10 10 VAL MG1 H . . . 2 1 10 10 VAL H H . . . . . 5.00 3.20 5.50 . . . . . B . 35 VAL MG1 . . B . 35 VAL H . B . 10 . HG1* . . . B . 10 . HN . . rr_1kqe 1 576 1 . . 2 1 10 10 VAL MG2 H . . . 2 1 10 10 VAL H H . . . . . 5.00 3.20 5.50 . . . . . B . 35 VAL MG2 . . B . 35 VAL H . B . 10 . HG2* . . . B . 10 . HN . . rr_1kqe 1 577 1 . . 2 1 12 12 ALA HA H . . . 2 1 12 12 ALA MB H . . . . . 3.50 1.70 4.25 . . . . . B . 37 ALA HA . . B . 37 ALA MB . B . 12 . HA . . . B . 12 . HB* . . rr_1kqe 1 578 1 . . 2 1 12 12 ALA HA H . . . 2 1 12 12 ALA H H . . . . . 3.50 1.70 4.00 . . . . . B . 37 ALA HA . . B . 37 ALA H . B . 12 . HA . . . B . 12 . HN . . rr_1kqe 1 579 1 . . 2 1 12 12 ALA HA H . . . 2 1 13 13 SIN H21 H . . . . . 4.50 2.70 5.00 . . . . . B . 37 ALA HA . . B . 38 SIN H21 . B . 12 . HA . . . B . 13 . H21 . . rr_1kqe 1 580 1 . . 2 1 12 12 ALA HA H . . . 2 1 13 13 SIN H22 H . . . . . 4.25 2.45 5.00 . . . . . B . 37 ALA HA . . B . 38 SIN H22 . B . 12 . HA . . . B . 13 . H22 . . rr_1kqe 1 581 1 . . 1 1 12 12 ALA MB H . . . 2 1 10 10 VAL HA H . . . . . 4.75 2.95 5.50 . . . . . A . 12 ALA MB . . B . 35 VAL HA . A . 12 . HB* . . . B . 10 . HA . . rr_1kqe 1 582 1 . . 1 1 12 12 ALA MB H . . . 2 1 10 10 VAL MG2 H . . . . . 5.50 3.70 6.00 . . . . . A . 12 ALA MB . . B . 35 VAL MG2 . A . 12 . HB* . . . B . 10 . HG2* . . rr_1kqe 1 583 1 . . 1 1 12 12 ALA MB H . . . 2 1 10 10 VAL H H . . . . . 5.75 3.95 6.50 . . . . . A . 12 ALA MB . . B . 35 VAL H . A . 12 . HB* . . . B . 10 . HN . . rr_1kqe 1 584 1 . . 2 1 12 12 ALA HA H . . . 2 1 12 12 ALA MB H . . . . . 3.50 1.70 4.25 . . . . . B . 37 ALA HA . . B . 37 ALA MB . B . 12 . HA . . . B . 12 . HB* . . rr_1kqe 1 585 1 . . 2 1 12 12 ALA MB H . . . 2 1 12 12 ALA H H . . . . . 4.75 2.95 5.50 . . . . . B . 37 ALA MB . . B . 37 ALA H . B . 12 . HB* . . . B . 12 . HN . . rr_1kqe 1 586 1 . . 2 1 12 12 ALA MB H . . . 2 1 13 13 SIN H21 H . . . . . 6.00 4.20 6.50 . . . . . B . 37 ALA MB . . B . 38 SIN H21 . B . 12 . HB* . . . B . 13 . H21 . . rr_1kqe 1 587 1 . . 2 1 12 12 ALA MB H . . . 2 1 13 13 SIN H22 H . . . . . 5.75 3.95 6.50 . . . . . B . 37 ALA MB . . B . 38 SIN H22 . B . 12 . HB* . . . B . 13 . H22 . . rr_1kqe 1 588 1 . . 1 1 10 10 VAL HA H . . . 2 1 12 12 ALA H H . . . . . 3.50 1.70 4.00 . . . . . A . 10 VAL HA . . B . 37 ALA H . A . 10 . HA . . . B . 12 . HN . . rr_1kqe 1 589 1 . . 2 1 12 12 ALA HA H . . . 2 1 12 12 ALA H H . . . . . 3.50 1.70 4.00 . . . . . B . 37 ALA HA . . B . 37 ALA H . B . 12 . HA . . . B . 12 . HN . . rr_1kqe 1 590 1 . . 2 1 12 12 ALA MB H . . . 2 1 12 12 ALA H H . . . . . 4.75 2.95 5.50 . . . . . B . 37 ALA MB . . B . 37 ALA H . B . 12 . HB* . . . B . 12 . HN . . rr_1kqe 1 591 1 . . 2 1 12 12 ALA H H . . . 2 1 13 13 SIN H21 H . . . . . 2.00 0.20 2.75 . . . . . B . 37 ALA H . . B . 38 SIN H21 . B . 12 . HN . . . B . 13 . H21 . . rr_1kqe 1 592 1 . . 2 1 12 12 ALA H H . . . 2 1 13 13 SIN H22 H . . . . . 3.25 1.45 4.00 . . . . . B . 37 ALA H . . B . 38 SIN H22 . B . 12 . HN . . . B . 13 . H22 . . rr_1kqe 1 593 1 . . 2 1 12 12 ALA HA H . . . 2 1 13 13 SIN H21 H . . . . . 4.50 2.70 5.00 . . . . . B . 37 ALA HA . . B . 38 SIN H21 . B . 12 . HA . . . B . 13 . H21 . . rr_1kqe 1 594 1 . . 2 1 12 12 ALA MB H . . . 2 1 13 13 SIN H21 H . . . . . 6.00 4.20 6.50 . . . . . B . 37 ALA MB . . B . 38 SIN H21 . B . 12 . HB* . . . B . 13 . H21 . . rr_1kqe 1 595 1 . . 2 1 12 12 ALA H H . . . 2 1 13 13 SIN H21 H . . . . . 2.00 0.20 2.75 . . . . . B . 37 ALA H . . B . 38 SIN H21 . B . 12 . HN . . . B . 13 . H21 . . rr_1kqe 1 596 1 . . 2 1 13 13 SIN H21 H . . . 2 1 13 13 SIN H22 H . . . . . 2.00 0.20 2.75 . . . . . B . 38 SIN H21 . . B . 38 SIN H22 . B . 13 . H21 . . . B . 13 . H22 . . rr_1kqe 1 597 1 . . 2 1 12 12 ALA HA H . . . 2 1 13 13 SIN H22 H . . . . . 4.25 2.45 5.00 . . . . . B . 37 ALA HA . . B . 38 SIN H22 . B . 12 . HA . . . B . 13 . H22 . . rr_1kqe 1 598 1 . . 2 1 12 12 ALA MB H . . . 2 1 13 13 SIN H22 H . . . . . 5.75 3.95 6.50 . . . . . B . 37 ALA MB . . B . 38 SIN H22 . B . 12 . HB* . . . B . 13 . H22 . . rr_1kqe 1 599 1 . . 2 1 12 12 ALA H H . . . 2 1 13 13 SIN H22 H . . . . . 3.25 1.45 4.00 . . . . . B . 37 ALA H . . B . 38 SIN H22 . B . 12 . HN . . . B . 13 . H22 . . rr_1kqe 1 600 1 . . 2 1 13 13 SIN H21 H . . . 2 1 13 13 SIN H22 H . . . . . 2.00 0.20 2.75 . . . . . B . 38 SIN H21 . . B . 38 SIN H22 . B . 13 . H21 . . . B . 13 . H22 . . rr_1kqe 1 601 1 . . 2 1 24 24 TRP HA H . . . 2 1 24 24 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . B . 49 TRP HA . . B . 49 TRP HB3 . B . 24 . HA . . . B . 24 . HB1 . . rr_1kqe 1 602 1 . . 2 1 24 24 TRP HA H . . . 2 1 24 24 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . B . 49 TRP HA . . B . 49 TRP HB2 . B . 24 . HA . . . B . 24 . HB2 . . rr_1kqe 1 603 1 . . 2 1 24 24 TRP HA H . . . 2 1 24 24 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HA . . B . 49 TRP HE3 . B . 24 . HA . . . B . 24 . HE3 . . rr_1kqe 1 604 1 . . 2 1 24 24 TRP HA H . . . 2 1 24 24 TRP H H . . . . . 3.25 1.45 4.00 . . . . . B . 49 TRP HA . . B . 49 TRP H . B . 24 . HA . . . B . 24 . HN . . rr_1kqe 1 605 1 . . 1 1 24 24 TRP HA H . . . 2 1 22 22 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HA . . B . 47 TRP HB3 . A . 24 . HA . . . B . 22 . HB1 . . rr_1kqe 1 606 1 . . 2 1 24 24 TRP HA H . . . 2 1 24 24 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . B . 49 TRP HA . . B . 49 TRP HB3 . B . 24 . HA . . . B . 24 . HB1 . . rr_1kqe 1 607 1 . . 2 1 24 24 TRP HE3 H . . . 2 1 24 24 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HE3 . . B . 49 TRP HB3 . B . 24 . HE3 . . . B . 24 . HB1 . . rr_1kqe 1 608 1 . . 2 1 24 24 TRP H H . . . 2 1 24 24 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . B . 49 TRP H . . B . 49 TRP HB3 . B . 24 . HN . . . B . 24 . HB1 . . rr_1kqe 1 609 1 . . 2 1 24 24 TRP HA H . . . 2 1 24 24 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . B . 49 TRP HA . . B . 49 TRP HB2 . B . 24 . HA . . . B . 24 . HB2 . . rr_1kqe 1 610 1 . . 2 1 24 24 TRP HE3 H . . . 2 1 24 24 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HE3 . . B . 49 TRP HB2 . B . 24 . HE3 . . . B . 24 . HB2 . . rr_1kqe 1 611 1 . . 2 1 24 24 TRP H H . . . 2 1 24 24 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP H . . B . 49 TRP HB2 . B . 24 . HN . . . B . 24 . HB2 . . rr_1kqe 1 612 1 . . 2 1 24 24 TRP HA H . . . 2 1 24 24 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . B . 49 TRP HA . . B . 49 TRP HD1 . B . 24 . HA . . . B . 24 . HD1 . . rr_1kqe 1 613 1 . . 2 1 24 24 TRP HD1 H . . . 2 1 24 24 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HD1 . . B . 49 TRP HB3 . B . 24 . HD1 . . . B . 24 . HB1 . . rr_1kqe 1 614 1 . . 2 1 24 24 TRP HD1 H . . . 2 1 24 24 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HD1 . . B . 49 TRP HB2 . B . 24 . HD1 . . . B . 24 . HB2 . . rr_1kqe 1 615 1 . . 2 1 24 24 TRP HD1 H . . . 2 1 24 24 TRP HE1 H . . . . . 3.25 1.45 4.00 . . . . . B . 49 TRP HD1 . . B . 49 TRP HE1 . B . 24 . HD1 . . . B . 24 . HE1 . . rr_1kqe 1 616 1 . . 1 1 24 24 TRP HD1 H . . . 2 1 22 22 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 24 TRP HD1 . . B . 47 TRP H . A . 24 . HD1 . . . B . 22 . HN . . rr_1kqe 1 617 1 . . 2 1 24 24 TRP HA H . . . 2 1 24 24 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HA . . B . 49 TRP HE3 . B . 24 . HA . . . B . 24 . HE3 . . rr_1kqe 1 618 1 . . 2 1 24 24 TRP HE3 H . . . 2 1 24 24 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HE3 . . B . 49 TRP HB3 . B . 24 . HE3 . . . B . 24 . HB1 . . rr_1kqe 1 619 1 . . 2 1 24 24 TRP HE3 H . . . 2 1 24 24 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HE3 . . B . 49 TRP HB2 . B . 24 . HE3 . . . B . 24 . HB2 . . rr_1kqe 1 620 1 . . 2 1 24 24 TRP HE3 H . . . 2 1 24 24 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HE3 . . B . 49 TRP HZ3 . B . 24 . HE3 . . . B . 24 . HZ3 . . rr_1kqe 1 621 1 . . 1 1 24 24 TRP HE3 H . . . 2 1 22 22 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HE3 . . B . 47 TRP HB3 . A . 24 . HE3 . . . B . 22 . HB1 . . rr_1kqe 1 622 1 . . 1 1 24 24 TRP HE3 H . . . 2 1 22 22 TRP H H . . . . . 4.50 2.70 5.00 . . . . . A . 24 TRP HE3 . . B . 47 TRP H . A . 24 . HE3 . . . B . 22 . HN . . rr_1kqe 1 623 1 . . 2 1 24 24 TRP HA H . . . 2 1 24 24 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HA . . B . 49 TRP H . B . 24 . HA . . . B . 24 . HN . . rr_1kqe 1 624 1 . . 2 1 24 24 TRP H H . . . 2 1 24 24 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP H . . B . 49 TRP HB3 . B . 24 . HN . . . B . 24 . HB1 . . rr_1kqe 1 625 1 . . 2 1 24 24 TRP H H . . . 2 1 24 24 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP H . . B . 49 TRP HB2 . B . 24 . HN . . . B . 24 . HB2 . . rr_1kqe 1 626 1 . . 1 1 24 24 TRP H H . . . 2 1 22 22 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 24 TRP H . . B . 47 TRP H . A . 24 . HN . . . B . 22 . HN . . rr_1kqe 1 627 1 . . 2 1 24 24 TRP HE3 H . . . 2 1 24 24 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . B . 49 TRP HE3 . . B . 49 TRP HZ3 . B . 24 . HE3 . . . B . 24 . HZ3 . . rr_1kqe 1 628 1 . . 2 1 22 22 TRP HB3 H . . . 2 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB3 . . B . 47 TRP HA . B . 22 . HB1 . . . B . 22 . HA . . rr_1kqe 1 629 1 . . 2 1 22 22 TRP HB2 H . . . 2 1 22 22 TRP HA H . . . . . 2.00 0.20 2.75 . . . . . B . 47 TRP HB2 . . B . 47 TRP HA . B . 22 . HB2 . . . B . 22 . HA . . rr_1kqe 1 630 1 . . 2 1 22 22 TRP HE3 H . . . 2 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HE3 . . B . 47 TRP HA . B . 22 . HE3 . . . B . 22 . HA . . rr_1kqe 1 631 1 . . 2 1 22 22 TRP H H . . . 2 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP H . . B . 47 TRP HA . B . 22 . HN . . . B . 22 . HA . . rr_1kqe 1 632 1 . . 2 1 24 24 TRP HA H . . . 1 1 22 22 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HA . . A . 22 TRP HB3 . B . 24 . HA . . . A . 22 . HB1 . . rr_1kqe 1 633 1 . . 1 1 22 22 TRP HB3 H . . . 2 1 24 24 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HB3 . . B . 49 TRP HE3 . A . 22 . HB1 . . . B . 24 . HE3 . . rr_1kqe 1 634 1 . . 2 1 22 22 TRP HB3 H . . . 2 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB3 . . B . 47 TRP HA . B . 22 . HB1 . . . B . 22 . HA . . rr_1kqe 1 635 1 . . 2 1 22 22 TRP HB3 H . . . 2 1 22 22 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . B . 47 TRP HB3 . . B . 47 TRP HB2 . B . 22 . HB1 . . . B . 22 . HB2 . . rr_1kqe 1 636 1 . . 2 1 22 22 TRP HB3 H . . . 2 1 22 22 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB3 . . B . 47 TRP HD1 . B . 22 . HB1 . . . B . 22 . HD1 . . rr_1kqe 1 637 1 . . 2 1 22 22 TRP HB3 H . . . 2 1 22 22 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB3 . . B . 47 TRP HE3 . B . 22 . HB1 . . . B . 22 . HE3 . . rr_1kqe 1 638 1 . . 2 1 22 22 TRP HB3 H . . . 2 1 22 22 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB3 . . B . 47 TRP H . B . 22 . HB1 . . . B . 22 . HN . . rr_1kqe 1 639 1 . . 1 1 22 22 TRP HB3 H . . . 2 1 20 20 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 22 TRP HB3 . . B . 45 TRP H . A . 22 . HB1 . . . B . 20 . HN . . rr_1kqe 1 640 1 . . 2 1 24 24 TRP HE3 H . . . 1 1 22 22 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . B . 49 TRP HE3 . . A . 22 TRP HB2 . B . 24 . HE3 . . . A . 22 . HB2 . . rr_1kqe 1 641 1 . . 2 1 22 22 TRP HB2 H . . . 2 1 22 22 TRP HA H . . . . . 3.25 1.45 4.00 . . . . . B . 47 TRP HB2 . . B . 47 TRP HA . B . 22 . HB2 . . . B . 22 . HA . . rr_1kqe 1 642 1 . . 2 1 22 22 TRP HB3 H . . . 2 1 22 22 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . B . 47 TRP HB3 . . B . 47 TRP HB2 . B . 22 . HB1 . . . B . 22 . HB2 . . rr_1kqe 1 643 1 . . 2 1 22 22 TRP HB2 H . . . 2 1 22 22 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB2 . . B . 47 TRP HD1 . B . 22 . HB2 . . . B . 22 . HD1 . . rr_1kqe 1 644 1 . . 2 1 22 22 TRP HB2 H . . . 2 1 22 22 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB2 . . B . 47 TRP HE3 . B . 22 . HB2 . . . B . 22 . HE3 . . rr_1kqe 1 645 1 . . 2 1 22 22 TRP HB2 H . . . 2 1 22 22 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB2 . . B . 47 TRP H . B . 22 . HB2 . . . B . 22 . HN . . rr_1kqe 1 646 1 . . 1 1 22 22 TRP HB2 H . . . 2 1 20 20 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HB2 . . B . 45 TRP H . A . 22 . HB2 . . . B . 20 . HN . . rr_1kqe 1 647 1 . . 2 1 24 24 TRP HA H . . . 1 1 22 22 TRP HD1 H . . . . . 4.25 2.45 5.00 . . . . . B . 49 TRP HA . . A . 22 TRP HD1 . B . 24 . HA . . . A . 22 . HD1 . . rr_1kqe 1 648 1 . . 2 1 22 22 TRP HD1 H . . . 2 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HD1 . . B . 47 TRP HA . B . 22 . HD1 . . . B . 22 . HA . . rr_1kqe 1 649 1 . . 2 1 22 22 TRP HB3 H . . . 2 1 22 22 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB3 . . B . 47 TRP HD1 . B . 22 . HB1 . . . B . 22 . HD1 . . rr_1kqe 1 650 1 . . 2 1 22 22 TRP HB2 H . . . 2 1 22 22 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB2 . . B . 47 TRP HD1 . B . 22 . HB2 . . . B . 22 . HD1 . . rr_1kqe 1 651 1 . . 2 1 22 22 TRP HD1 H . . . 2 1 22 22 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 47 TRP HD1 . . B . 47 TRP HE1 . B . 22 . HD1 . . . B . 22 . HE1 . . rr_1kqe 1 652 1 OR . 1 1 22 22 TRP HD1 H . . . 2 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 22 TRP HD1 . . B . 45 TRP HB2 . A . 22 . HD1 . . . B . 20 . HB* . . rr_1kqe 1 652 2 OR . 1 1 22 22 TRP HD1 H . . . 2 1 20 20 TRP HB3 H . . . . . 4.40 2.60 4.90 . . . . . A . 22 TRP HD1 . . B . 45 TRP HB3 . A . 22 . HD1 . . . B . 20 . HB* . . rr_1kqe 1 653 1 . . 2 1 22 22 TRP HD1 H . . . 2 1 22 22 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 47 TRP HD1 . . B . 47 TRP HE1 . B . 22 . HD1 . . . B . 22 . HE1 . . rr_1kqe 1 654 1 OR . 1 1 22 22 TRP HE1 H . . . 2 1 20 20 TRP HB2 H . . . . . 5.15 3.35 5.90 . . . . . A . 22 TRP HE1 . . B . 45 TRP HB2 . A . 22 . HE1 . . . B . 20 . HB* . . rr_1kqe 1 654 2 OR . 1 1 22 22 TRP HE1 H . . . 2 1 20 20 TRP HB3 H . . . . . 5.15 3.35 5.90 . . . . . A . 22 TRP HE1 . . B . 45 TRP HB3 . A . 22 . HE1 . . . B . 20 . HB* . . rr_1kqe 1 655 1 . . 2 1 22 22 TRP HE3 H . . . 2 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HE3 . . B . 47 TRP HA . B . 22 . HE3 . . . B . 22 . HA . . rr_1kqe 1 656 1 . . 2 1 22 22 TRP HB3 H . . . 2 1 22 22 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB3 . . B . 47 TRP HE3 . B . 22 . HB1 . . . B . 22 . HE3 . . rr_1kqe 1 657 1 . . 2 1 22 22 TRP HB2 H . . . 2 1 22 22 TRP HE3 H . . . . . 3.25 1.45 4.00 . . . . . B . 47 TRP HB2 . . B . 47 TRP HE3 . B . 22 . HB2 . . . B . 22 . HE3 . . rr_1kqe 1 658 1 . . 2 1 22 22 TRP HE3 H . . . 2 1 22 22 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HE3 . . B . 47 TRP HZ3 . B . 22 . HE3 . . . B . 22 . HZ3 . . rr_1kqe 1 659 1 . . 1 1 22 22 TRP HE3 H . . . 2 1 20 20 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP HE3 . . B . 45 TRP H . A . 22 . HE3 . . . B . 20 . HN . . rr_1kqe 1 660 1 . . 1 1 24 24 TRP HA H . . . 2 1 22 22 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 24 TRP HA . . B . 47 TRP H . A . 24 . HA . . . B . 22 . HN . . rr_1kqe 1 661 1 . . 1 1 22 22 TRP H H . . . 2 1 24 24 TRP HE3 H . . . . . 4.50 2.70 5.00 . . . . . A . 22 TRP H . . B . 49 TRP HE3 . A . 22 . HN . . . B . 24 . HE3 . . rr_1kqe 1 662 1 . . 2 1 22 22 TRP H H . . . 2 1 22 22 TRP HA H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP H . . B . 47 TRP HA . B . 22 . HN . . . B . 22 . HA . . rr_1kqe 1 663 1 . . 2 1 22 22 TRP HB3 H . . . 2 1 22 22 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB3 . . B . 47 TRP H . B . 22 . HB1 . . . B . 22 . HN . . rr_1kqe 1 664 1 . . 2 1 22 22 TRP HB2 H . . . 2 1 22 22 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HB2 . . B . 47 TRP H . B . 22 . HB2 . . . B . 22 . HN . . rr_1kqe 1 665 1 . . 1 1 22 22 TRP H H . . . 2 1 20 20 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 22 TRP H . . B . 45 TRP H . A . 22 . HN . . . B . 20 . HN . . rr_1kqe 1 666 1 . . 2 1 22 22 TRP HE1 H . . . 2 1 22 22 TRP HZ2 H . . . . . 4.25 2.45 5.00 . . . . . B . 47 TRP HE1 . . B . 47 TRP HZ2 . B . 22 . HE1 . . . B . 22 . HZ2 . . rr_1kqe 1 667 1 . . 2 1 22 22 TRP HE3 H . . . 2 1 22 22 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . B . 47 TRP HE3 . . B . 47 TRP HZ3 . B . 22 . HE3 . . . B . 22 . HZ3 . . rr_1kqe 1 668 1 OR . 2 1 20 20 TRP HA H . . . 2 1 20 20 TRP HB2 H . . . . . 2.90 1.10 3.65 . . . . . B . 45 TRP HA . . B . 45 TRP HB2 . B . 20 . HA . . . B . 20 . HB* . . rr_1kqe 1 668 2 OR . 2 1 20 20 TRP HA H . . . 2 1 20 20 TRP HB3 H . . . . . 2.90 1.10 3.65 . . . . . B . 45 TRP HA . . B . 45 TRP HB3 . B . 20 . HA . . . B . 20 . HB* . . rr_1kqe 1 669 1 . . 2 1 20 20 TRP HA H . . . 2 1 20 20 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 45 TRP HA . . B . 45 TRP HD1 . B . 20 . HA . . . B . 20 . HD1 . . rr_1kqe 1 670 1 . . 2 1 20 20 TRP HA H . . . 2 1 20 20 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 45 TRP HA . . B . 45 TRP HE3 . B . 20 . HA . . . B . 20 . HE3 . . rr_1kqe 1 671 1 . . 2 1 20 20 TRP HA H . . . 2 1 20 20 TRP H H . . . . . 3.25 1.45 4.00 . . . . . B . 45 TRP HA . . B . 45 TRP H . B . 20 . HA . . . B . 20 . HN . . rr_1kqe 1 672 1 . . 1 1 20 20 TRP HA H . . . 2 1 18 18 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HA . . B . 43 TRP HB3 . A . 20 . HA . . . B . 18 . HB1 . . rr_1kqe 1 673 1 . . 1 1 20 20 TRP HA H . . . 2 1 18 18 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HA . . B . 43 TRP HB2 . A . 20 . HA . . . B . 18 . HB2 . . rr_1kqe 1 674 1 . . 1 1 20 20 TRP HA H . . . 2 1 18 18 TRP H H . . . . . 3.25 1.45 4.00 . . . . . A . 20 TRP HA . . B . 43 TRP H . A . 20 . HA . . . B . 18 . HN . . rr_1kqe 1 675 1 OR . 2 1 22 22 TRP HE3 H . . . 1 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 47 TRP HE3 . . A . 20 TRP HB2 . B . 22 . HE3 . . . A . 20 . HB* . . rr_1kqe 1 675 2 OR . 1 1 20 20 TRP HB3 H . . . 2 1 22 22 TRP HE3 H . . . . . 4.40 2.60 4.90 . . . . . A . 20 TRP HB3 . . B . 47 TRP HE3 . A . 20 . HB* . . . B . 22 . HE3 . . rr_1kqe 1 676 1 OR . 2 1 20 20 TRP HA H . . . 2 1 20 20 TRP HB2 H . . . . . 2.90 1.10 3.65 . . . . . B . 45 TRP HA . . B . 45 TRP HB2 . B . 20 . HA . . . B . 20 . HB* . . rr_1kqe 1 676 2 OR . 2 1 20 20 TRP HA H . . . 2 1 20 20 TRP HB3 H . . . . . 2.90 1.10 3.65 . . . . . B . 45 TRP HA . . B . 45 TRP HB3 . B . 20 . HA . . . B . 20 . HB* . . rr_1kqe 1 677 1 OR . 2 1 20 20 TRP HD1 H . . . 2 1 20 20 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . B . 45 TRP HD1 . . B . 45 TRP HB2 . B . 20 . HD1 . . . B . 20 . HB* . . rr_1kqe 1 677 2 OR . 2 1 20 20 TRP HB3 H . . . 2 1 20 20 TRP HD1 H . . . . . 4.15 2.35 4.90 . . . . . B . 45 TRP HB3 . . B . 45 TRP HD1 . B . 20 . HB* . . . B . 20 . HD1 . . rr_1kqe 1 678 1 OR . 2 1 20 20 TRP HE3 H . . . 2 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 45 TRP HE3 . . B . 45 TRP HB2 . B . 20 . HE3 . . . B . 20 . HB* . . rr_1kqe 1 678 2 OR . 2 1 20 20 TRP HB3 H . . . 2 1 20 20 TRP HE3 H . . . . . 4.40 2.60 4.90 . . . . . B . 45 TRP HB3 . . B . 45 TRP HE3 . B . 20 . HB* . . . B . 20 . HE3 . . rr_1kqe 1 679 1 OR . 2 1 20 20 TRP H H . . . 2 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 45 TRP H . . B . 45 TRP HB2 . B . 20 . HN . . . B . 20 . HB* . . rr_1kqe 1 679 2 OR . 2 1 20 20 TRP HB3 H . . . 2 1 20 20 TRP H H . . . . . 4.40 2.60 4.90 . . . . . B . 45 TRP HB3 . . B . 45 TRP H . B . 20 . HB* . . . B . 20 . HN . . rr_1kqe 1 680 1 OR . 2 1 18 18 TRP H H . . . 1 1 20 20 TRP HB2 H . . . . . 5.40 3.60 5.90 . . . . . B . 43 TRP H . . A . 20 TRP HB2 . B . 18 . HN . . . A . 20 . HB* . . rr_1kqe 1 680 2 OR . 1 1 20 20 TRP HB3 H . . . 2 1 18 18 TRP H H . . . . . 5.40 3.60 5.90 . . . . . A . 20 TRP HB3 . . B . 43 TRP H . A . 20 . HB* . . . B . 18 . HN . . rr_1kqe 1 681 1 . . 2 1 20 20 TRP HA H . . . 2 1 20 20 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 45 TRP HA . . B . 45 TRP HD1 . B . 20 . HA . . . B . 20 . HD1 . . rr_1kqe 1 682 1 OR . 2 1 20 20 TRP HD1 H . . . 2 1 20 20 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . B . 45 TRP HD1 . . B . 45 TRP HB2 . B . 20 . HD1 . . . B . 20 . HB* . . rr_1kqe 1 682 2 OR . 2 1 20 20 TRP HB3 H . . . 2 1 20 20 TRP HD1 H . . . . . 4.15 2.35 4.90 . . . . . B . 45 TRP HB3 . . B . 45 TRP HD1 . B . 20 . HB* . . . B . 20 . HD1 . . rr_1kqe 1 683 1 . . 2 1 20 20 TRP HD1 H . . . 2 1 20 20 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 45 TRP HD1 . . B . 45 TRP HE1 . B . 20 . HD1 . . . B . 20 . HE1 . . rr_1kqe 1 684 1 . . 2 1 20 20 TRP HD1 H . . . 2 1 20 20 TRP H H . . . . . 4.25 2.45 5.00 . . . . . B . 45 TRP HD1 . . B . 45 TRP H . B . 20 . HD1 . . . B . 20 . HN . . rr_1kqe 1 685 1 . . 1 1 20 20 TRP HD1 H . . . 2 1 18 18 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HD1 . . B . 43 TRP HB3 . A . 20 . HD1 . . . B . 18 . HB1 . . rr_1kqe 1 686 1 . . 1 1 20 20 TRP HD1 H . . . 2 1 18 18 TRP HB2 H . . . . . 4.50 2.70 5.00 . . . . . A . 20 TRP HD1 . . B . 43 TRP HB2 . A . 20 . HD1 . . . B . 18 . HB2 . . rr_1kqe 1 687 1 . . 1 1 20 20 TRP HD1 H . . . 2 1 18 18 TRP H H . . . . . 4.25 2.45 5.00 . . . . . A . 20 TRP HD1 . . B . 43 TRP H . A . 20 . HD1 . . . B . 18 . HN . . rr_1kqe 1 688 1 OR . 2 1 20 20 TRP HE1 H . . . 2 1 20 20 TRP HB2 H . . . . . 5.15 3.35 5.90 . . . . . B . 45 TRP HE1 . . B . 45 TRP HB2 . B . 20 . HE1 . . . B . 20 . HB* . . rr_1kqe 1 688 2 OR . 2 1 20 20 TRP HB3 H . . . 2 1 20 20 TRP HE1 H . . . . . 5.15 3.35 5.90 . . . . . B . 45 TRP HB3 . . B . 45 TRP HE1 . B . 20 . HB* . . . B . 20 . HE1 . . rr_1kqe 1 689 1 . . 2 1 20 20 TRP HD1 H . . . 2 1 20 20 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 45 TRP HD1 . . B . 45 TRP HE1 . B . 20 . HD1 . . . B . 20 . HE1 . . rr_1kqe 1 690 1 . . 2 1 20 20 TRP HA H . . . 2 1 20 20 TRP HE3 H . . . . . 4.50 2.70 5.00 . . . . . B . 45 TRP HA . . B . 45 TRP HE3 . B . 20 . HA . . . B . 20 . HE3 . . rr_1kqe 1 691 1 OR . 2 1 20 20 TRP HE3 H . . . 2 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . B . 45 TRP HE3 . . B . 45 TRP HB2 . B . 20 . HE3 . . . B . 20 . HB* . . rr_1kqe 1 691 2 OR . 2 1 20 20 TRP HB3 H . . . 2 1 20 20 TRP HE3 H . . . . . 4.40 2.60 4.90 . . . . . B . 45 TRP HB3 . . B . 45 TRP HE3 . B . 20 . HB* . . . B . 20 . HE3 . . rr_1kqe 1 692 1 . . 2 1 20 20 TRP HE3 H . . . 2 1 20 20 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . B . 45 TRP HE3 . . B . 45 TRP HZ3 . B . 20 . HE3 . . . B . 20 . HZ3 . . rr_1kqe 1 693 1 . . 1 1 20 20 TRP HE3 H . . . 2 1 18 18 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HE3 . . B . 43 TRP HB3 . A . 20 . HE3 . . . B . 18 . HB1 . . rr_1kqe 1 694 1 . . 1 1 20 20 TRP HE3 H . . . 2 1 18 18 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HE3 . . B . 43 TRP HB2 . A . 20 . HE3 . . . B . 18 . HB2 . . rr_1kqe 1 695 1 . . 1 1 20 20 TRP HE3 H . . . 2 1 18 18 TRP H H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP HE3 . . B . 43 TRP H . A . 20 . HE3 . . . B . 18 . HN . . rr_1kqe 1 696 1 . . 1 1 20 20 TRP H H . . . 2 1 22 22 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 20 TRP H . . B . 47 TRP HE3 . A . 20 . HN . . . B . 22 . HE3 . . rr_1kqe 1 697 1 . . 2 1 20 20 TRP HA H . . . 2 1 20 20 TRP H H . . . . . 3.25 1.45 4.00 . . . . . B . 45 TRP HA . . B . 45 TRP H . B . 20 . HA . . . B . 20 . HN . . rr_1kqe 1 698 1 OR . 2 1 20 20 TRP H H . . . 2 1 20 20 TRP HB2 H . . . . . 4.15 2.35 4.90 . . . . . B . 45 TRP H . . B . 45 TRP HB2 . B . 20 . HN . . . B . 20 . HB* . . rr_1kqe 1 698 2 OR . 2 1 20 20 TRP HB3 H . . . 2 1 20 20 TRP H H . . . . . 4.15 2.35 4.90 . . . . . B . 45 TRP HB3 . . B . 45 TRP H . B . 20 . HB* . . . B . 20 . HN . . rr_1kqe 1 699 1 . . 2 1 20 20 TRP HD1 H . . . 2 1 20 20 TRP H H . . . . . 4.25 2.45 5.00 . . . . . B . 45 TRP HD1 . . B . 45 TRP H . B . 20 . HD1 . . . B . 20 . HN . . rr_1kqe 1 700 1 . . 1 1 20 20 TRP H H . . . 2 1 18 18 TRP H H . . . . . 4.50 2.70 5.00 . . . . . A . 20 TRP H . . B . 43 TRP H . A . 20 . HN . . . B . 18 . HN . . rr_1kqe 1 701 1 . . 2 1 18 18 TRP HA H . . . 2 1 18 18 TRP HB3 H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HA . . B . 43 TRP HB3 . B . 18 . HA . . . B . 18 . HB1 . . rr_1kqe 1 702 1 . . 2 1 18 18 TRP HA H . . . 2 1 18 18 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . B . 43 TRP HA . . B . 43 TRP HB2 . B . 18 . HA . . . B . 18 . HB2 . . rr_1kqe 1 703 1 . . 2 1 18 18 TRP HA H . . . 2 1 18 18 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HA . . B . 43 TRP HE3 . B . 18 . HA . . . B . 18 . HE3 . . rr_1kqe 1 704 1 . . 2 1 18 18 TRP HA H . . . 2 1 18 18 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HA . . B . 43 TRP H . B . 18 . HA . . . B . 18 . HN . . rr_1kqe 1 705 1 . . 1 1 18 18 TRP HA H . . . 2 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HA . . B . 41 VAL HB . A . 18 . HA . . . B . 16 . HB* . . rr_1kqe 1 706 1 . . 1 1 18 18 TRP HA H . . . 2 1 16 16 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 18 TRP HA . . B . 41 VAL MG2 . A . 18 . HA . . . B . 16 . HG2* . . rr_1kqe 1 707 1 . . 1 1 18 18 TRP HA H . . . 2 1 16 16 VAL H H . . . . . 3.25 1.45 4.00 . . . . . A . 18 TRP HA . . B . 41 VAL H . A . 18 . HA . . . B . 16 . HN . . rr_1kqe 1 708 1 . . 1 1 18 18 TRP HB3 H . . . 2 1 20 20 TRP HD1 H . . . . . 3.25 1.45 4.00 . . . . . A . 18 TRP HB3 . . B . 45 TRP HD1 . A . 18 . HB1 . . . B . 20 . HD1 . . rr_1kqe 1 709 1 . . 1 1 18 18 TRP HB3 H . . . 2 1 20 20 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB3 . . B . 45 TRP HE3 . A . 18 . HB1 . . . B . 20 . HE3 . . rr_1kqe 1 710 1 . . 2 1 18 18 TRP HA H . . . 2 1 18 18 TRP HB3 H . . . . . 3.25 1.45 4.00 . . . . . B . 43 TRP HA . . B . 43 TRP HB3 . B . 18 . HA . . . B . 18 . HB1 . . rr_1kqe 1 711 1 . . 2 1 18 18 TRP HB3 H . . . 2 1 18 18 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . B . 43 TRP HB3 . . B . 43 TRP HB2 . B . 18 . HB1 . . . B . 18 . HB2 . . rr_1kqe 1 712 1 . . 2 1 18 18 TRP HB3 H . . . 2 1 18 18 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HB3 . . B . 43 TRP HE3 . B . 18 . HB1 . . . B . 18 . HE3 . . rr_1kqe 1 713 1 . . 2 1 18 18 TRP HB3 H . . . 2 1 18 18 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HB3 . . B . 43 TRP H . B . 18 . HB1 . . . B . 18 . HN . . rr_1kqe 1 714 1 . . 1 1 18 18 TRP HB3 H . . . 2 1 16 16 VAL H H . . . . . 4.50 2.70 5.00 . . . . . A . 18 TRP HB3 . . B . 41 VAL H . A . 18 . HB1 . . . B . 16 . HN . . rr_1kqe 1 715 1 . . 1 1 18 18 TRP HB2 H . . . 2 1 20 20 TRP HD1 H . . . . . 4.50 2.70 5.00 . . . . . A . 18 TRP HB2 . . B . 45 TRP HD1 . A . 18 . HB2 . . . B . 20 . HD1 . . rr_1kqe 1 716 1 . . 1 1 18 18 TRP HB2 H . . . 2 1 20 20 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB2 . . B . 45 TRP HE3 . A . 18 . HB2 . . . B . 20 . HE3 . . rr_1kqe 1 717 1 . . 2 1 18 18 TRP HA H . . . 2 1 18 18 TRP HB2 H . . . . . 3.25 1.45 4.00 . . . . . B . 43 TRP HA . . B . 43 TRP HB2 . B . 18 . HA . . . B . 18 . HB2 . . rr_1kqe 1 718 1 . . 2 1 18 18 TRP HB3 H . . . 2 1 18 18 TRP HB2 H . . . . . 2.00 0.20 2.75 . . . . . B . 43 TRP HB3 . . B . 43 TRP HB2 . B . 18 . HB1 . . . B . 18 . HB2 . . rr_1kqe 1 719 1 . . 2 1 18 18 TRP HB2 H . . . 2 1 18 18 TRP HE3 H . . . . . 3.25 1.45 4.00 . . . . . B . 43 TRP HB2 . . B . 43 TRP HE3 . B . 18 . HB2 . . . B . 18 . HE3 . . rr_1kqe 1 720 1 . . 2 1 18 18 TRP HB2 H . . . 2 1 18 18 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HB2 . . B . 43 TRP H . B . 18 . HB2 . . . B . 18 . HN . . rr_1kqe 1 721 1 . . 1 1 18 18 TRP HB2 H . . . 2 1 16 16 VAL H H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HB2 . . B . 41 VAL H . A . 18 . HB2 . . . B . 16 . HN . . rr_1kqe 1 722 1 OR . 1 1 18 18 TRP HD1 H . . . 2 1 20 20 TRP HB2 H . . . . . 5.40 3.60 5.90 . . . . . A . 18 TRP HD1 . . B . 45 TRP HB2 . A . 18 . HD1 . . . B . 20 . HB* . . rr_1kqe 1 722 2 OR . 1 1 18 18 TRP HD1 H . . . 2 1 20 20 TRP HB3 H . . . . . 5.40 3.60 5.90 . . . . . A . 18 TRP HD1 . . B . 45 TRP HB3 . A . 18 . HD1 . . . B . 20 . HB* . . rr_1kqe 1 723 1 . . 2 1 18 18 TRP HA H . . . 2 1 18 18 TRP HD1 H . . . . . 4.50 2.70 5.00 . . . . . B . 43 TRP HA . . B . 43 TRP HD1 . B . 18 . HA . . . B . 18 . HD1 . . rr_1kqe 1 724 1 . . 2 1 18 18 TRP HB3 H . . . 2 1 18 18 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HB3 . . B . 43 TRP HD1 . B . 18 . HB1 . . . B . 18 . HD1 . . rr_1kqe 1 725 1 . . 2 1 18 18 TRP HB2 H . . . 2 1 18 18 TRP HD1 H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HB2 . . B . 43 TRP HD1 . B . 18 . HB2 . . . B . 18 . HD1 . . rr_1kqe 1 726 1 . . 2 1 18 18 TRP HD1 H . . . 2 1 18 18 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 43 TRP HD1 . . B . 43 TRP HE1 . B . 18 . HD1 . . . B . 18 . HE1 . . rr_1kqe 1 727 1 . . 1 1 18 18 TRP HD1 H . . . 2 1 16 16 VAL MG2 H . . . . . 6.00 4.20 6.50 . . . . . A . 18 TRP HD1 . . B . 41 VAL MG2 . A . 18 . HD1 . . . B . 16 . HG2* . . rr_1kqe 1 728 1 . . 2 1 18 18 TRP HD1 H . . . 2 1 18 18 TRP HE1 H . . . . . 2.00 0.20 2.75 . . . . . B . 43 TRP HD1 . . B . 43 TRP HE1 . B . 18 . HD1 . . . B . 18 . HE1 . . rr_1kqe 1 729 1 . . 2 1 18 18 TRP HA H . . . 2 1 18 18 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HA . . B . 43 TRP HE3 . B . 18 . HA . . . B . 18 . HE3 . . rr_1kqe 1 730 1 . . 2 1 18 18 TRP HB3 H . . . 2 1 18 18 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HB3 . . B . 43 TRP HE3 . B . 18 . HB1 . . . B . 18 . HE3 . . rr_1kqe 1 731 1 . . 2 1 18 18 TRP HB2 H . . . 2 1 18 18 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HB2 . . B . 43 TRP HE3 . B . 18 . HB2 . . . B . 18 . HE3 . . rr_1kqe 1 732 1 . . 2 1 18 18 TRP HE3 H . . . 2 1 18 18 TRP H H . . . . . 4.25 2.45 5.00 . . . . . B . 43 TRP HE3 . . B . 43 TRP H . B . 18 . HE3 . . . B . 18 . HN . . rr_1kqe 1 733 1 . . 2 1 18 18 TRP HE3 H . . . 2 1 18 18 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . B . 43 TRP HE3 . . B . 43 TRP HZ3 . B . 18 . HE3 . . . B . 18 . HZ3 . . rr_1kqe 1 734 1 . . 1 1 18 18 TRP HE3 H . . . 2 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP HE3 . . B . 41 VAL HB . A . 18 . HE3 . . . B . 16 . HB . . rr_1kqe 1 735 1 . . 1 1 18 18 TRP HE3 H . . . 2 1 16 16 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 18 TRP HE3 . . B . 41 VAL MG2 . A . 18 . HE3 . . . B . 16 . HG2* . . rr_1kqe 1 736 1 OR . 1 1 18 18 TRP H H . . . 2 1 20 20 TRP HB2 H . . . . . 4.40 2.60 4.90 . . . . . A . 18 TRP H . . B . 45 TRP HB2 . A . 18 . HN . . . B . 20 . HB* . . rr_1kqe 1 736 2 OR . 1 1 18 18 TRP H H . . . 2 1 20 20 TRP HB3 H . . . . . 4.40 2.60 4.90 . . . . . A . 18 TRP H . . B . 45 TRP HB3 . A . 18 . HN . . . B . 20 . HB* . . rr_1kqe 1 737 1 . . 1 1 18 18 TRP H H . . . 2 1 20 20 TRP HE3 H . . . . . 3.50 1.70 4.00 . . . . . A . 18 TRP H . . B . 45 TRP HE3 . A . 18 . HN . . . B . 20 . HE3 . . rr_1kqe 1 738 1 . . 2 1 18 18 TRP HA H . . . 2 1 18 18 TRP H H . . . . . 3.25 1.45 4.00 . . . . . B . 43 TRP HA . . B . 43 TRP H . B . 18 . HA . . . B . 18 . HN . . rr_1kqe 1 739 1 . . 2 1 18 18 TRP HB3 H . . . 2 1 18 18 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HB3 . . B . 43 TRP H . B . 18 . HB1 . . . B . 18 . HN . . rr_1kqe 1 740 1 . . 2 1 18 18 TRP HB2 H . . . 2 1 18 18 TRP H H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HB2 . . B . 43 TRP H . B . 18 . HB2 . . . B . 18 . HN . . rr_1kqe 1 741 1 . . 2 1 18 18 TRP HD1 H . . . 2 1 18 18 TRP H H . . . . . 4.25 2.45 5.00 . . . . . B . 43 TRP HD1 . . B . 43 TRP H . B . 18 . HD1 . . . B . 18 . HN . . rr_1kqe 1 742 1 . . 2 1 18 18 TRP HA H . . . 2 1 18 18 TRP HZ3 H . . . . . 4.25 2.45 5.00 . . . . . B . 43 TRP HA . . B . 43 TRP HZ3 . B . 18 . HA . . . B . 18 . HZ3 . . rr_1kqe 1 743 1 . . 2 1 18 18 TRP HE3 H . . . 2 1 18 18 TRP HZ3 H . . . . . 2.00 0.20 2.75 . . . . . B . 43 TRP HE3 . . B . 43 TRP HZ3 . B . 18 . HE3 . . . B . 18 . HZ3 . . rr_1kqe 1 744 1 . . 1 1 18 18 TRP HZ3 H . . . 2 1 16 16 VAL HB H . . . . . 4.50 2.70 5.00 . . . . . A . 18 TRP HZ3 . . B . 41 VAL HB . A . 18 . HZ3 . . . B . 16 . HB . . rr_1kqe 1 745 1 . . 1 1 18 18 TRP HZ3 H . . . 2 1 16 16 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . A . 18 TRP HZ3 . . B . 41 VAL MG2 . A . 18 . HZ3 . . . B . 16 . HG2* . . rr_1kqe 1 746 1 . . 2 1 16 16 VAL HA H . . . 2 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 41 VAL HA . . B . 41 VAL HB . B . 16 . HA . . . B . 16 . HB . . rr_1kqe 1 747 1 . . 2 1 16 16 VAL HA H . . . 2 1 16 16 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . B . 41 VAL HA . . B . 41 VAL MG1 . B . 16 . HA . . . B . 16 . HG1* . . rr_1kqe 1 748 1 . . 2 1 16 16 VAL HA H . . . 2 1 16 16 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . B . 41 VAL HA . . B . 41 VAL MG2 . B . 16 . HA . . . B . 16 . HG2* . . rr_1kqe 1 749 1 . . 2 1 16 16 VAL HA H . . . 2 1 16 16 VAL H H . . . . . 3.50 1.70 4.00 . . . . . B . 41 VAL HA . . B . 41 VAL H . B . 16 . HA . . . B . 16 . HN . . rr_1kqe 1 750 1 . . 1 1 16 16 VAL HA H . . . 2 1 14 14 ALA MB H . . . . . 4.75 2.95 5.50 . . . . . A . 16 VAL HA . . B . 39 ALA MB . A . 16 . HA . . . B . 14 . HB* . . rr_1kqe 1 751 1 . . 1 1 16 16 VAL HA H . . . 2 1 14 14 ALA H H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL HA . . B . 39 ALA H . A . 16 . HA . . . B . 14 . HN . . rr_1kqe 1 752 1 . . 2 1 18 18 TRP HA H . . . 1 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HA . . A . 16 VAL HB . B . 18 . HA . . . A . 16 . HB . . rr_1kqe 1 753 1 . . 2 1 18 18 TRP HE3 H . . . 1 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 43 TRP HE3 . . A . 16 VAL HB . B . 18 . HE3 . . . A . 16 . HB . . rr_1kqe 1 754 1 . . 1 1 16 16 VAL HB H . . . 2 1 18 18 TRP HZ3 H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL HB . . B . 43 TRP HZ3 . A . 16 . HB . . . B . 18 . HZ3 . . rr_1kqe 1 755 1 . . 2 1 16 16 VAL HA H . . . 2 1 16 16 VAL HB H . . . . . 3.50 1.70 4.00 . . . . . B . 41 VAL HA . . B . 41 VAL HB . B . 16 . HA . . . B . 16 . HB . . rr_1kqe 1 756 1 . . 2 1 16 16 VAL HB H . . . 2 1 16 16 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . B . 41 VAL HB . . B . 41 VAL MG1 . B . 16 . HB . . . B . 16 . HG1* . . rr_1kqe 1 757 1 . . 2 1 16 16 VAL HB H . . . 2 1 16 16 VAL MG2 H . . . . . 4.75 1.95 5.50 . . . . . B . 41 VAL HB . . B . 41 VAL MG2 . B . 16 . HB . . . B . 16 . HG2* . . rr_1kqe 1 758 1 . . 2 1 16 16 VAL HB H . . . 2 1 16 16 VAL H H . . . . . 3.50 1.70 4.00 . . . . . B . 41 VAL HB . . B . 41 VAL H . B . 16 . HB . . . B . 16 . HN . . rr_1kqe 1 759 1 . . 2 1 18 18 TRP HE3 H . . . 1 1 16 16 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . B . 43 TRP HE3 . . A . 16 VAL MG1 . B . 18 . HE3 . . . A . 16 . HG1* . . rr_1kqe 1 760 1 . . 2 1 18 18 TRP HZ3 H . . . 1 1 16 16 VAL MG1 H . . . . . 5.00 3.20 5.50 . . . . . B . 43 TRP HZ3 . . A . 16 VAL MG1 . B . 18 . HZ3 . . . A . 16 . HG1* . . rr_1kqe 1 761 1 . . 2 1 16 16 VAL HA H . . . 2 1 16 16 VAL MG1 H . . . . . 5.00 2.20 5.50 . . . . . B . 41 VAL HA . . B . 41 VAL MG1 . B . 16 . HA . . . B . 16 . HG1* . . rr_1kqe 1 762 1 . . 2 1 16 16 VAL HB H . . . 2 1 16 16 VAL MG1 H . . . . . 4.75 1.95 5.50 . . . . . B . 41 VAL HB . . B . 41 VAL MG1 . B . 16 . HB . . . B . 16 . HG1* . . rr_1kqe 1 763 1 . . 2 1 16 16 VAL MG1 H . . . 2 1 16 16 VAL H H . . . . . 5.00 3.20 5.50 . . . . . B . 41 VAL MG1 . . B . 41 VAL H . B . 16 . HG1* . . . B . 16 . HN . . rr_1kqe 1 764 1 . . 1 1 16 16 VAL MG1 H . . . 2 1 14 14 ALA MB H . . . . . 6.50 3.70 7.00 . . . . . A . 16 VAL MG1 . . B . 39 ALA MB . A . 16 . HG1* . . . B . 14 . HB* . . rr_1kqe 1 765 1 . . 2 1 18 18 TRP HA H . . . 1 1 16 16 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . B . 43 TRP HA . . A . 16 VAL MG2 . B . 18 . HA . . . A . 16 . HG2* . . rr_1kqe 1 766 1 . . 1 1 16 16 VAL MG2 H . . . 2 1 18 18 TRP HE3 H . . . . . 5.00 3.20 5.50 . . . . . A . 16 VAL MG2 . . B . 43 TRP HE3 . A . 16 . HG2* . . . B . 18 . HE3 . . rr_1kqe 1 767 1 . . 1 1 16 16 VAL MG2 H . . . 2 1 18 18 TRP HZ3 H . . . . . 5.00 3.20 5.50 . . . . . A . 16 VAL MG2 . . B . 43 TRP HZ3 . A . 16 . HG2* . . . B . 18 . HZ3 . . rr_1kqe 1 768 1 . . 2 1 16 16 VAL HA H . . . 2 1 16 16 VAL MG2 H . . . . . 5.00 3.20 5.50 . . . . . B . 41 VAL HA . . B . 41 VAL MG2 . B . 16 . HA . . . B . 16 . HG2* . . rr_1kqe 1 769 1 . . 2 1 16 16 VAL HB H . . . 2 1 16 16 VAL MG2 H . . . . . 4.75 1.95 5.50 . . . . . B . 41 VAL HB . . B . 41 VAL MG2 . B . 16 . HB . . . B . 16 . HG2* . . rr_1kqe 1 770 1 . . 2 1 16 16 VAL MG2 H . . . 2 1 16 16 VAL H H . . . . . 5.00 3.20 5.50 . . . . . B . 41 VAL MG2 . . B . 41 VAL H . B . 16 . HG2* . . . B . 16 . HN . . rr_1kqe 1 771 1 . . 1 1 16 16 VAL H H . . . 2 1 18 18 TRP HB3 H . . . . . 4.50 2.70 5.00 . . . . . A . 16 VAL H . . B . 43 TRP HB3 . A . 16 . HN . . . B . 18 . HB1 . . rr_1kqe 1 772 1 . . 1 1 16 16 VAL H H . . . 2 1 18 18 TRP HB2 H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL H . . B . 43 TRP HB2 . A . 16 . HN . . . B . 18 . HB2 . . rr_1kqe 1 773 1 . . 2 1 16 16 VAL HA H . . . 2 1 16 16 VAL H H . . . . . 3.50 1.70 4.00 . . . . . B . 41 VAL HA . . B . 41 VAL H . B . 16 . HA . . . B . 16 . HN . . rr_1kqe 1 774 1 . . 2 1 16 16 VAL HB H . . . 2 1 16 16 VAL H H . . . . . 3.50 1.70 4.00 . . . . . B . 41 VAL HB . . B . 41 VAL H . B . 16 . HB . . . B . 16 . HN . . rr_1kqe 1 775 1 . . 2 1 16 16 VAL MG1 H . . . 2 1 16 16 VAL H H . . . . . 5.00 3.20 5.50 . . . . . B . 41 VAL MG1 . . B . 41 VAL H . B . 16 . HG1* . . . B . 16 . HN . . rr_1kqe 1 776 1 . . 2 1 16 16 VAL MG2 H . . . 2 1 16 16 VAL H H . . . . . 5.00 3.20 5.50 . . . . . B . 41 VAL MG2 . . B . 41 VAL H . B . 16 . HG2* . . . B . 16 . HN . . rr_1kqe 1 777 1 . . 2 1 14 14 ALA HA H . . . 2 1 14 14 ALA MB H . . . . . 3.50 1.70 4.25 . . . . . B . 39 ALA HA . . B . 39 ALA MB . B . 14 . HA . . . B . 14 . HB* . . rr_1kqe 1 778 1 . . 2 1 14 14 ALA HA H . . . 2 1 14 14 ALA H H . . . . . 3.50 1.70 4.00 . . . . . B . 39 ALA HA . . B . 39 ALA H . B . 14 . HA . . . B . 14 . HN . . rr_1kqe 1 779 1 . . 2 1 14 14 ALA HA H . . . 2 1 13 13 SIN H31 H . . . . . 4.50 2.70 5.00 . . . . . B . 39 ALA HA . . B . 38 SIN H31 . B . 14 . HA . . . B . 13 . H31 . . rr_1kqe 1 780 1 . . 2 1 14 14 ALA HA H . . . 2 1 13 13 SIN H32 H . . . . . 4.25 2.45 5.00 . . . . . B . 39 ALA HA . . B . 38 SIN H32 . B . 14 . HA . . . B . 13 . H32 . . rr_1kqe 1 781 1 . . 1 1 14 14 ALA MB H . . . 2 1 16 16 VAL HA H . . . . . 4.75 2.95 5.50 . . . . . A . 14 ALA MB . . B . 41 VAL HA . A . 14 . HB* . . . B . 16 . HA . . rr_1kqe 1 782 1 . . 1 1 14 14 ALA MB H . . . 2 1 16 16 VAL MG2 H . . . . . 5.50 3.70 6.00 . . . . . A . 14 ALA MB . . B . 41 VAL MG2 . A . 14 . HB* . . . B . 16 . HG2* . . rr_1kqe 1 783 1 . . 1 1 14 14 ALA MB H . . . 2 1 16 16 VAL H H . . . . . 5.75 3.95 6.50 . . . . . A . 14 ALA MB . . B . 41 VAL H . A . 14 . HB* . . . B . 16 . HN . . rr_1kqe 1 784 1 . . 2 1 14 14 ALA HA H . . . 2 1 14 14 ALA MB H . . . . . 3.50 1.70 4.25 . . . . . B . 39 ALA HA . . B . 39 ALA MB . B . 14 . HA . . . B . 14 . HB* . . rr_1kqe 1 785 1 . . 2 1 14 14 ALA MB H . . . 2 1 14 14 ALA H H . . . . . 4.75 2.95 5.50 . . . . . B . 39 ALA MB . . B . 39 ALA H . B . 14 . HB* . . . B . 14 . HN . . rr_1kqe 1 786 1 . . 2 1 14 14 ALA MB H . . . 2 1 13 13 SIN H31 H . . . . . 6.00 4.20 6.50 . . . . . B . 39 ALA MB . . B . 38 SIN H31 . B . 14 . HB* . . . B . 13 . H31 . . rr_1kqe 1 787 1 . . 2 1 14 14 ALA MB H . . . 2 1 13 13 SIN H32 H . . . . . 5.75 3.95 6.50 . . . . . B . 39 ALA MB . . B . 38 SIN H32 . B . 14 . HB* . . . B . 13 . H32 . . rr_1kqe 1 788 1 . . 1 1 16 16 VAL HA H . . . 2 1 14 14 ALA H H . . . . . 3.50 1.70 4.00 . . . . . A . 16 VAL HA . . B . 39 ALA H . A . 16 . HA . . . B . 14 . HN . . rr_1kqe 1 789 1 . . 2 1 14 14 ALA HA H . . . 2 1 14 14 ALA H H . . . . . 3.50 1.70 4.00 . . . . . B . 39 ALA HA . . B . 39 ALA H . B . 14 . HA . . . B . 14 . HN . . rr_1kqe 1 790 1 . . 2 1 14 14 ALA MB H . . . 2 1 14 14 ALA H H . . . . . 4.75 2.95 5.50 . . . . . B . 39 ALA MB . . B . 39 ALA H . B . 14 . HB* . . . B . 14 . HN . . rr_1kqe 1 791 1 . . 2 1 14 14 ALA H H . . . 2 1 13 13 SIN H31 H . . . . . 2.00 0.20 2.75 . . . . . B . 39 ALA H . . B . 38 SIN H31 . B . 14 . HN . . . B . 13 . H31 . . rr_1kqe 1 792 1 . . 2 1 14 14 ALA H H . . . 2 1 13 13 SIN H32 H . . . . . 3.25 1.45 4.00 . . . . . B . 39 ALA H . . B . 38 SIN H32 . B . 14 . HN . . . B . 13 . H32 . . rr_1kqe 1 793 1 . . 2 1 14 14 ALA HA H . . . 2 1 13 13 SIN H31 H . . . . . 4.50 2.70 5.00 . . . . . B . 39 ALA HA . . B . 38 SIN H31 . B . 14 . HA . . . B . 13 . H31 . . rr_1kqe 1 794 1 . . 2 1 14 14 ALA MB H . . . 2 1 13 13 SIN H31 H . . . . . 6.00 4.20 6.50 . . . . . B . 39 ALA MB . . B . 38 SIN H31 . B . 14 . HB* . . . B . 13 . H31 . . rr_1kqe 1 795 1 . . 2 1 14 14 ALA H H . . . 2 1 13 13 SIN H31 H . . . . . 2.00 0.20 2.75 . . . . . B . 39 ALA H . . B . 38 SIN H31 . B . 14 . HN . . . B . 13 . H31 . . rr_1kqe 1 796 1 . . 2 1 13 13 SIN H31 H . . . 2 1 13 13 SIN H32 H . . . . . 2.00 0.20 2.75 . . . . . B . 38 SIN H31 . . B . 38 SIN H32 . B . 13 . H31 . . . B . 13 . H32 . . rr_1kqe 1 797 1 . . 2 1 14 14 ALA HA H . . . 2 1 13 13 SIN H32 H . . . . . 4.25 2.45 5.00 . . . . . B . 39 ALA HA . . B . 38 SIN H32 . B . 14 . HA . . . B . 13 . H32 . . rr_1kqe 1 798 1 . . 2 1 14 14 ALA MB H . . . 2 1 13 13 SIN H32 H . . . . . 5.75 3.95 6.50 . . . . . B . 39 ALA MB . . B . 38 SIN H32 . B . 14 . HB* . . . B . 13 . H32 . . rr_1kqe 1 799 1 . . 2 1 14 14 ALA H H . . . 2 1 13 13 SIN H32 H . . . . . 3.25 1.45 4.00 . . . . . B . 39 ALA H . . B . 38 SIN H32 . B . 14 . HN . . . B . 13 . H32 . . rr_1kqe 1 800 1 . . 2 1 13 13 SIN H31 H . . . 2 1 13 13 SIN H32 H . . . . . 2.00 0.20 2.75 . . . . . B . 38 SIN H31 . . B . 38 SIN H32 . B . 13 . H31 . . . B . 13 . H32 . . rr_1kqe 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 'assign (resi 1 and name HN and segid "B") (resi 3 and name HA and segid "A") 3.50 1.80 0.50' 18 1 18 113 rr_1kqe 1 2 'assign (resi 2 and name HA and segid "B") (resi 4 and name HN and segid "A") 4.25 1.80 0.75' 30 1 30 113 rr_1kqe 1 3 'assign (resi 2 and name HN and segid "A") (resi 1 and name H21 and segid "A") 3.50 1.80 0.50' 54 1 54 114 rr_1kqe 1 4 'assign (resi 4 and name HD1 and segid "A") (resi 3 and name HB1 and segid "A") 4.25 1.80 0.75' 154 1 154 115 rr_1kqe 1 5 'assign (resi 8 and name HZ3 and segid "A") (resi 7 and name HD1* and segid "A") 6.00 1.80 0.50' 442 1 442 116 rr_1kqe 1 6 'assign (resi 25 and name HN and segid "B") (resi 23 and name HA and segid "A") 3.50 1.80 0.50' 648 1 648 113 rr_1kqe 1 7 'assign (resi 24 and name HA and segid "B") (resi 22 and name HN and segid "A") 4.25 1.80 0.75' 660 1 660 113 rr_1kqe 1 8 'assign (resi 24 and name HN and segid "A") (resi 25 and name H21 and segid "A") 3.50 1.80 0.50' 684 1 684 114 rr_1kqe 1 9 'assign (resi 22 and name HD1 and segid "A") (resi 23 and name HB1 and segid "A") 4.25 1.80 0.75' 784 1 784 115 rr_1kqe 1 10 'assign (resi 18 and name HZ3 and segid "A") (resi 19 and name HD1* and segid "A") 6.00 1.80 0.50' 1072 1 1072 116 rr_1kqe 1 11 'assign (resi 1 and name HN and segid "A") (resi 3 and name HA and segid "B") 3.50 1.80 0.50' 1278 1 1278 113 rr_1kqe 1 12 'assign (resi 2 and name HA and segid "A") (resi 4 and name HN and segid "B") 4.25 1.80 0.75' 1290 1 1290 113 rr_1kqe 1 13 'assign (resi 2 and name HN and segid "B") (resi 1 and name H21 and segid "B") 3.50 1.80 0.50' 1314 1 1314 114 rr_1kqe 1 14 'assign (resi 4 and name HD1 and segid "B") (resi 3 and name HB1 and segid "B") 4.25 1.80 0.75' 1414 1 1414 115 rr_1kqe 1 15 'assign (resi 8 and name HZ3 and segid "B") (resi 7 and name HD1* and segid "B") 6.00 1.80 0.50' 1702 1 1702 116 rr_1kqe 1 16 'assign (resi 25 and name HN and segid "A") (resi 23 and name HA and segid "B") 3.50 1.80 0.50' 1908 1 1908 113 rr_1kqe 1 17 'assign (resi 24 and name HA and segid "A") (resi 22 and name HN and segid "B") 4.25 1.80 0.75' 1920 1 1920 113 rr_1kqe 1 18 'assign (resi 24 and name HN and segid "B") (resi 25 and name H21 and segid "B") 3.50 1.80 0.50' 1944 1 1944 114 rr_1kqe 1 19 'assign (resi 22 and name HD1 and segid "B") (resi 23 and name HB1 and segid "B") 4.25 1.80 0.75' 2044 1 2044 115 rr_1kqe 1 20 'assign (resi 18 and name HZ3 and segid "B") (resi 19 and name HD1* and segid "B") 6.00 1.80 0.50' 2332 1 2332 116 rr_1kqe 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.1.H11' (nmrStar names),'A.1.H21' (nmrStar names) not linked" rr_1kqe 1 2 2 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.1.H11' (nmrStar names),'A.1.HN' (nmrStar names) not linked" rr_1kqe 1 3 2 3 1 "Not handling restraint 3, item 1, resonance(s) 'A.1.H21' (nmrStar names),'A.1.H12' (nmrStar names) not linked" rr_1kqe 1 4 2 4 1 "Not handling restraint 4, item 1, resonance(s) 'A.1.H12' (nmrStar names),'A.1.H22' (nmrStar names) not linked" rr_1kqe 1 5 2 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.1.HN' (nmrStar names),'A.1.H12' (nmrStar names) not linked" rr_1kqe 1 6 2 6 1 "Not handling restraint 6, item 1, resonance(s) 'B.1.H12' (nmrStar names),'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 7 2 7 1 "Not handling restraint 7, item 1, resonance(s) 'A.1.H11' (nmrStar names),'A.1.H21' (nmrStar names) not linked" rr_1kqe 1 8 2 8 1 "Not handling restraint 8, item 1, resonance(s) 'A.1.H21' (nmrStar names),'A.1.H12' (nmrStar names) not linked" rr_1kqe 1 9 2 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.1.H12' (nmrStar names),'A.1.H22' (nmrStar names) not linked" rr_1kqe 1 10 2 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.1.H21' (nmrStar names),'A.1.HN' (nmrStar names) not linked" rr_1kqe 1 11 2 11 1 "Not handling restraint 11, item 1, resonance(s) 'A.1.H21' (nmrStar names) not linked" rr_1kqe 1 12 2 12 1 "Not handling restraint 12, item 1, resonance(s) 'A.3.HA' (nmrStar names),'B.1.H21' (nmrStar names) not linked" rr_1kqe 1 13 2 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.1.H11' (nmrStar names),'A.1.HN' (nmrStar names) not linked" rr_1kqe 1 14 2 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.1.HN' (nmrStar names),'A.1.H12' (nmrStar names) not linked" rr_1kqe 1 15 2 15 1 "Not handling restraint 15, item 1, resonance(s) 'A.1.HN' (nmrStar names),'A.1.H22' (nmrStar names) not linked" rr_1kqe 1 16 2 16 1 "Not handling restraint 16, item 1, resonance(s) 'A.1.H21' (nmrStar names),'A.1.HN' (nmrStar names) not linked" rr_1kqe 1 17 2 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.1.HN' (nmrStar names) not linked" rr_1kqe 1 18 2 18 1 "Not handling restraint 18, item 1, resonance(s) 'B.1.HN' (nmrStar names),'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 19 2 19 1 "Not handling restraint 19, item 1, resonance(s) 'B.1.HN' (nmrStar names) not linked" rr_1kqe 1 20 2 20 1 "Not handling restraint 20, item 1, resonance(s) 'A.1.H21' (nmrStar names) not linked" rr_1kqe 1 21 2 21 1 "Not handling restraint 21, item 1, resonance(s) 'A.1.HN' (nmrStar names) not linked" rr_1kqe 1 22 2 26 1 "Not handling restraint 26, item 1, resonance(s) 'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 23 2 27 1 "Not handling restraint 27, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 24 2 39 1 "Not handling restraint 39, item 1, resonance(s) 'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 25 2 47 1 "Not handling restraint 47, item 1, resonance(s) 'A.5.HA' (nmrStar names) not linked" rr_1kqe 1 26 2 48 1 "Not handling restraint 48, item 1, resonance(s) 'A.5.HB1' (nmrStar names) not linked" rr_1kqe 1 27 2 49 1 "Not handling restraint 49, item 1, resonance(s) 'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 28 2 50 1 "Not handling restraint 50, item 1, resonance(s) 'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 29 2 51 1 "Not handling restraint 51, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 30 2 55 1 "Not handling restraint 55, item 1, resonance(s) 'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 31 2 56 1 "Not handling restraint 56, item 1, resonance(s) 'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 32 2 57 1 "Not handling restraint 57, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 33 2 60 1 "Not handling restraint 60, item 1, resonance(s) 'B.1.H12' (nmrStar names),'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 34 2 61 1 "Not handling restraint 61, item 1, resonance(s) 'A.3.HA' (nmrStar names),'B.1.H21' (nmrStar names) not linked" rr_1kqe 1 35 2 62 1 "Not handling restraint 62, item 1, resonance(s) 'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 36 2 63 1 "Not handling restraint 63, item 1, resonance(s) 'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 37 2 64 1 "Not handling restraint 64, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 38 2 65 1 "Not handling restraint 65, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HB2' (nmrStar names) not linked" rr_1kqe 1 39 2 66 1 "Not handling restraint 66, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 40 2 67 1 "Not handling restraint 67, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 41 2 68 1 "Not handling restraint 68, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 42 2 69 1 "Not handling restraint 69, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 43 2 70 1 "Not handling restraint 70, item 1, resonance(s) 'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 44 2 71 1 "Not handling restraint 71, item 1, resonance(s) 'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 45 2 72 1 "Not handling restraint 72, item 1, resonance(s) 'A.1.H12' (nmrStar names),'B.3.HB1' (nmrStar names) not linked" rr_1kqe 1 46 2 73 1 "Not handling restraint 73, item 1, resonance(s) 'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 47 2 74 1 "Not handling restraint 74, item 1, resonance(s) 'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 48 2 75 1 "Not handling restraint 75, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 49 2 76 1 "Not handling restraint 76, item 1, resonance(s) 'A.3.HB1' (nmrStar names),'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 50 2 77 1 "Not handling restraint 77, item 1, resonance(s) 'A.3.HN' (nmrStar names),'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 51 2 78 1 "Not handling restraint 78, item 1, resonance(s) 'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 52 2 79 1 "Not handling restraint 79, item 1, resonance(s) 'A.5.HA' (nmrStar names),'B.3.HB1' (nmrStar names) not linked" rr_1kqe 1 53 2 80 1 "Not handling restraint 80, item 1, resonance(s) 'A.5.HD2*' (nmrStar names),'B.3.HB1' (nmrStar names) not linked" rr_1kqe 1 54 2 81 1 "Not handling restraint 81, item 1, resonance(s) 'B.3.HB1' (nmrStar names) not linked" rr_1kqe 1 55 2 82 1 "Not handling restraint 82, item 1, resonance(s) 'A.3.HB2' (nmrStar names) not linked" rr_1kqe 1 56 2 83 1 "Not handling restraint 83, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HB2' (nmrStar names) not linked" rr_1kqe 1 57 2 84 1 "Not handling restraint 84, item 1, resonance(s) 'A.3.HN' (nmrStar names),'A.3.HB2' (nmrStar names) not linked" rr_1kqe 1 58 2 85 1 "Not handling restraint 85, item 1, resonance(s) 'A.1.H12' (nmrStar names),'B.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 59 2 86 1 "Not handling restraint 86, item 1, resonance(s) 'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 60 2 87 1 "Not handling restraint 87, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 61 2 88 1 "Not handling restraint 88, item 1, resonance(s) 'A.3.HB1' (nmrStar names),'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 62 2 89 1 "Not handling restraint 89, item 1, resonance(s) 'A.3.HD1*' (nmrStar names),'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 63 2 90 1 "Not handling restraint 90, item 1, resonance(s) 'A.3.HN' (nmrStar names),'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 64 2 91 1 "Not handling restraint 91, item 1, resonance(s) 'B.3.HD1*' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 65 2 92 1 "Not handling restraint 92, item 1, resonance(s) 'B.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 66 2 93 1 "Not handling restraint 93, item 1, resonance(s) 'B.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 67 2 94 1 "Not handling restraint 94, item 1, resonance(s) 'A.1.H12' (nmrStar names),'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 68 2 95 1 "Not handling restraint 95, item 1, resonance(s) 'A.1.H21' (nmrStar names),'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 69 2 96 1 "Not handling restraint 96, item 1, resonance(s) 'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 70 2 97 1 "Not handling restraint 97, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 71 2 98 1 "Not handling restraint 98, item 1, resonance(s) 'A.3.HD2*' (nmrStar names),'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 72 2 99 1 "Not handling restraint 99, item 1, resonance(s) 'A.3.HD2*' (nmrStar names),'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 73 2 100 1 "Not handling restraint 100, item 1, resonance(s) 'A.3.HD2*' (nmrStar names),'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 74 2 101 1 "Not handling restraint 101, item 1, resonance(s) 'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 75 2 102 1 "Not handling restraint 102, item 1, resonance(s) 'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 76 2 103 1 "Not handling restraint 103, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 77 2 104 1 "Not handling restraint 104, item 1, resonance(s) 'A.3.HD2*' (nmrStar names),'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 78 2 105 1 "Not handling restraint 105, item 1, resonance(s) 'A.3.HN' (nmrStar names),'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 79 2 106 1 "Not handling restraint 106, item 1, resonance(s) 'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 80 2 107 1 "Not handling restraint 107, item 1, resonance(s) 'B.3.HG' (nmrStar names) not linked" rr_1kqe 1 81 2 108 1 "Not handling restraint 108, item 1, resonance(s) 'B.1.H12' (nmrStar names),'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 82 2 109 1 "Not handling restraint 109, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 83 2 110 1 "Not handling restraint 110, item 1, resonance(s) 'A.3.HA' (nmrStar names),'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 84 2 111 1 "Not handling restraint 111, item 1, resonance(s) 'A.3.HN' (nmrStar names),'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 85 2 112 1 "Not handling restraint 112, item 1, resonance(s) 'A.3.HN' (nmrStar names),'A.3.HB2' (nmrStar names) not linked" rr_1kqe 1 86 2 113 1 "Not handling restraint 113, item 1, resonance(s) 'A.3.HN' (nmrStar names),'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 87 2 114 1 "Not handling restraint 114, item 1, resonance(s) 'A.3.HD2*' (nmrStar names),'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 88 2 115 1 "Not handling restraint 115, item 1, resonance(s) 'A.3.HN' (nmrStar names),'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 89 2 116 1 "Not handling restraint 116, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 90 2 117 1 "Not handling restraint 117, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 91 2 118 1 "Not handling restraint 118, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 92 2 119 1 "Not handling restraint 119, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 93 2 120 1 "Not handling restraint 120, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 94 2 121 1 "Not handling restraint 121, item 1, resonance(s) 'A.5.HA' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 95 2 122 1 "Not handling restraint 122, item 1, resonance(s) 'A.5.HD2*' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 96 2 123 1 "Not handling restraint 123, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 97 2 124 1 "Not handling restraint 124, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 98 2 125 1 "Not handling restraint 125, item 1, resonance(s) 'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 99 2 126 1 "Not handling restraint 126, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 100 2 131 1 "Not handling restraint 131, item 1, resonance(s) 'A.1.HN' (nmrStar names) not linked" rr_1kqe 1 101 2 134 1 "Not handling restraint 134, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 102 2 142 1 "Not handling restraint 142, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 103 2 150 1 "Not handling restraint 150, item 1, resonance(s) 'A.3.HA' (nmrStar names) not linked" rr_1kqe 1 104 2 151 1 "Not handling restraint 151, item 1, resonance(s) 'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 105 2 157 1 "Not handling restraint 157, item 1, resonance(s) 'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 106 2 158 1 "Not handling restraint 158, item 1, resonance(s) 'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 107 2 161 1 "Not handling restraint 161, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 108 2 167 1 "Not handling restraint 167, item 1, resonance(s) 'A.7.HA' (nmrStar names) not linked" rr_1kqe 1 109 2 168 1 "Not handling restraint 168, item 1, resonance(s) 'A.7.HB1' (nmrStar names) not linked" rr_1kqe 1 110 2 169 1 "Not handling restraint 169, item 1, resonance(s) 'A.7.HB2' (nmrStar names) not linked" rr_1kqe 1 111 2 170 1 "Not handling restraint 170, item 1, resonance(s) 'A.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 112 2 171 1 "Not handling restraint 171, item 1, resonance(s) 'A.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 113 2 172 1 "Not handling restraint 172, item 1, resonance(s) 'B.1.HN' (nmrStar names) not linked" rr_1kqe 1 114 2 175 1 "Not handling restraint 175, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 115 2 179 1 "Not handling restraint 179, item 1, resonance(s) 'A.5.HA' (nmrStar names) not linked" rr_1kqe 1 116 2 180 1 "Not handling restraint 180, item 1, resonance(s) 'A.5.HB1' (nmrStar names) not linked" rr_1kqe 1 117 2 181 1 "Not handling restraint 181, item 1, resonance(s) 'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 118 2 182 1 "Not handling restraint 182, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 119 2 183 1 "Not handling restraint 183, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 120 2 187 1 "Not handling restraint 187, item 1, resonance(s) 'A.3.HB1' (nmrStar names),'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 121 2 188 1 "Not handling restraint 188, item 1, resonance(s) 'A.5.HA' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 122 2 189 1 "Not handling restraint 189, item 1, resonance(s) 'A.5.HA' (nmrStar names) not linked" rr_1kqe 1 123 2 190 1 "Not handling restraint 190, item 1, resonance(s) 'A.5.HA' (nmrStar names) not linked" rr_1kqe 1 124 2 191 1 "Not handling restraint 191, item 1, resonance(s) 'A.5.HA' (nmrStar names) not linked" rr_1kqe 1 125 2 192 1 "Not handling restraint 192, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HB1' (nmrStar names) not linked" rr_1kqe 1 126 2 193 1 "Not handling restraint 193, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 127 2 194 1 "Not handling restraint 194, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 128 2 195 1 "Not handling restraint 195, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 129 2 196 1 "Not handling restraint 196, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 130 2 197 1 "Not handling restraint 197, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 131 2 198 1 "Not handling restraint 198, item 1, resonance(s) 'A.5.HA' (nmrStar names) not linked" rr_1kqe 1 132 2 199 1 "Not handling restraint 199, item 1, resonance(s) 'A.5.HB1' (nmrStar names) not linked" rr_1kqe 1 133 2 200 1 "Not handling restraint 200, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HB1' (nmrStar names) not linked" rr_1kqe 1 134 2 201 1 "Not handling restraint 201, item 1, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 135 2 202 1 "Not handling restraint 202, item 1, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 136 2 203 1 "Not handling restraint 203, item 1, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 137 2 204 1 "Not handling restraint 204, item 1, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 138 2 205 1 "Not handling restraint 205, item 1, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 139 2 206 1 "Not handling restraint 206, item 1, resonance(s) 'B.5.HB1' (nmrStar names) not linked" rr_1kqe 1 140 2 207 1 "Not handling restraint 207, item 1, resonance(s) 'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 141 2 208 1 "Not handling restraint 208, item 1, resonance(s) 'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 142 2 209 1 "Not handling restraint 209, item 1, resonance(s) 'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 143 2 210 1 "Not handling restraint 210, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 144 2 211 1 "Not handling restraint 211, item 1, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 145 2 212 1 "Not handling restraint 212, item 1, resonance(s) 'A.5.HB2' (nmrStar names),'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 146 2 213 1 "Not handling restraint 213, item 1, resonance(s) 'A.5.HB2' (nmrStar names),'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 147 2 214 1 "Not handling restraint 214, item 1, resonance(s) 'A.5.HB2' (nmrStar names),'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 148 2 215 1 "Not handling restraint 215, item 1, resonance(s) 'A.5.HB2' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 149 2 216 1 "Not handling restraint 216, item 1, resonance(s) 'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 150 2 217 1 "Not handling restraint 217, item 1, resonance(s) 'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 151 2 218 1 "Not handling restraint 218, item 1, resonance(s) 'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 152 2 219 1 "Not handling restraint 219, item 1, resonance(s) 'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 153 2 220 1 "Not handling restraint 220, item 1, resonance(s) 'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 154 2 221 1 "Not handling restraint 221, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 155 2 222 1 "Not handling restraint 222, item 1, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 156 2 223 1 "Not handling restraint 223, item 1, resonance(s) 'A.5.HB2' (nmrStar names),'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 157 2 224 1 "Not handling restraint 224, item 1, resonance(s) 'A.5.HD1*' (nmrStar names),'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 158 2 225 1 "Not handling restraint 225, item 1, resonance(s) 'A.5.HD1*' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 159 2 226 1 "Not handling restraint 226, item 1, resonance(s) 'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 160 2 227 1 "Not handling restraint 227, item 1, resonance(s) 'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 161 2 228 1 "Not handling restraint 228, item 1, resonance(s) 'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 162 2 229 1 "Not handling restraint 229, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 163 2 230 1 "Not handling restraint 230, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 164 2 231 1 "Not handling restraint 231, item 1, resonance(s) 'A.3.HB1' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 165 2 232 1 "Not handling restraint 232, item 1, resonance(s) 'A.3.HN' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 166 2 233 1 "Not handling restraint 233, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 167 2 234 1 "Not handling restraint 234, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 168 2 235 1 "Not handling restraint 235, item 1, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 169 2 236 1 "Not handling restraint 236, item 1, resonance(s) 'A.5.HB2' (nmrStar names),'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 170 2 237 1 "Not handling restraint 237, item 1, resonance(s) 'A.5.HD1*' (nmrStar names),'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 171 2 238 1 "Not handling restraint 238, item 1, resonance(s) 'A.5.HD2*' (nmrStar names),'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 172 2 239 1 "Not handling restraint 239, item 1, resonance(s) 'A.5.HD2*' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 173 2 240 1 "Not handling restraint 240, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 174 2 241 1 "Not handling restraint 241, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 175 2 241 1 "Not handling restraint 241, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 176 2 242 1 "Not handling restraint 242, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 177 2 243 1 "Not handling restraint 243, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 178 2 244 1 "Not handling restraint 244, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 179 2 245 1 "Not handling restraint 245, item 1, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 180 2 246 1 "Not handling restraint 246, item 1, resonance(s) 'A.5.HB2' (nmrStar names),'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 181 2 247 1 "Not handling restraint 247, item 1, resonance(s) 'A.5.HD2*' (nmrStar names),'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 182 2 248 1 "Not handling restraint 248, item 1, resonance(s) 'A.5.HN' (nmrStar names),'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 183 2 249 1 "Not handling restraint 249, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 184 2 250 1 "Not handling restraint 250, item 1, resonance(s) 'A.5.HA' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 185 2 251 1 "Not handling restraint 251, item 1, resonance(s) 'A.5.HB1' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 186 2 252 1 "Not handling restraint 252, item 1, resonance(s) 'A.5.HB2' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 187 2 253 1 "Not handling restraint 253, item 1, resonance(s) 'A.5.HD1*' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 188 2 254 1 "Not handling restraint 254, item 1, resonance(s) 'A.5.HD2*' (nmrStar names),'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 189 2 255 1 "Not handling restraint 255, item 1, resonance(s) 'A.5.HN' (nmrStar names),'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 190 2 256 1 "Not handling restraint 256, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 191 2 257 1 "Not handling restraint 257, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 192 2 257 1 "Not handling restraint 257, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 193 2 258 1 "Not handling restraint 258, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 194 2 259 1 "Not handling restraint 259, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 195 2 260 1 "Not handling restraint 260, item 1, resonance(s) 'A.7.HA' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 196 2 261 1 "Not handling restraint 261, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 197 2 262 1 "Not handling restraint 262, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 198 2 263 1 "Not handling restraint 263, item 1, resonance(s) 'A.5.HA' (nmrStar names) not linked" rr_1kqe 1 199 2 264 1 "Not handling restraint 264, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 200 2 272 1 "Not handling restraint 272, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 201 2 272 1 "Not handling restraint 272, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 202 2 274 1 "Not handling restraint 274, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 203 2 274 1 "Not handling restraint 274, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 204 2 280 1 "Not handling restraint 280, item 1, resonance(s) 'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 205 2 281 1 "Not handling restraint 281, item 1, resonance(s) 'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 206 2 282 1 "Not handling restraint 282, item 1, resonance(s) 'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 207 2 283 1 "Not handling restraint 283, item 1, resonance(s) 'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 208 2 284 1 "Not handling restraint 284, item 1, resonance(s) 'A.5.HA' (nmrStar names) not linked" rr_1kqe 1 209 2 285 1 "Not handling restraint 285, item 1, resonance(s) 'A.5.HB1' (nmrStar names) not linked" rr_1kqe 1 210 2 286 1 "Not handling restraint 286, item 1, resonance(s) 'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 211 2 287 1 "Not handling restraint 287, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 212 2 288 1 "Not handling restraint 288, item 1, resonance(s) 'A.5.HG' (nmrStar names) not linked" rr_1kqe 1 213 2 289 1 "Not handling restraint 289, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 214 2 297 1 "Not handling restraint 297, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 215 2 298 1 "Not handling restraint 298, item 1, resonance(s) 'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 216 2 299 1 "Not handling restraint 299, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 217 2 308 1 "Not handling restraint 308, item 1, resonance(s) 'A.9.HB' (nmrStar names) not linked" rr_1kqe 1 218 2 309 1 "Not handling restraint 309, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 219 2 310 1 "Not handling restraint 310, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 220 2 312 1 "Not handling restraint 312, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 221 2 316 1 "Not handling restraint 316, item 1, resonance(s) 'A.7.HA' (nmrStar names) not linked" rr_1kqe 1 222 2 317 1 "Not handling restraint 317, item 1, resonance(s) 'A.7.HB1' (nmrStar names) not linked" rr_1kqe 1 223 2 318 1 "Not handling restraint 318, item 1, resonance(s) 'A.7.HB2' (nmrStar names) not linked" rr_1kqe 1 224 2 319 1 "Not handling restraint 319, item 1, resonance(s) 'A.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 225 2 320 1 "Not handling restraint 320, item 1, resonance(s) 'A.7.HG' (nmrStar names) not linked" rr_1kqe 1 226 2 321 1 "Not handling restraint 321, item 1, resonance(s) 'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 227 2 323 1 "Not handling restraint 323, item 1, resonance(s) 'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 228 2 324 1 "Not handling restraint 324, item 1, resonance(s) 'A.5.HB2' (nmrStar names),'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 229 2 325 1 "Not handling restraint 325, item 1, resonance(s) 'A.7.HA' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 230 2 326 1 "Not handling restraint 326, item 1, resonance(s) 'A.7.HA' (nmrStar names) not linked" rr_1kqe 1 231 2 326 1 "Not handling restraint 326, item 1, resonance(s) 'A.7.HA' (nmrStar names) not linked" rr_1kqe 1 232 2 327 1 "Not handling restraint 327, item 1, resonance(s) 'A.7.HA' (nmrStar names) not linked" rr_1kqe 1 233 2 328 1 "Not handling restraint 328, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HB1' (nmrStar names) not linked" rr_1kqe 1 234 2 329 1 "Not handling restraint 329, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" rr_1kqe 1 235 2 330 1 "Not handling restraint 330, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 236 2 331 1 "Not handling restraint 331, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 237 2 332 1 "Not handling restraint 332, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HG' (nmrStar names) not linked" rr_1kqe 1 238 2 333 1 "Not handling restraint 333, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 239 2 334 1 "Not handling restraint 334, item 1, resonance(s) 'A.7.HA' (nmrStar names) not linked" rr_1kqe 1 240 2 335 1 "Not handling restraint 335, item 1, resonance(s) 'B.7.HB1' (nmrStar names) not linked" rr_1kqe 1 241 2 336 1 "Not handling restraint 336, item 1, resonance(s) 'A.7.HB1' (nmrStar names) not linked" rr_1kqe 1 242 2 336 1 "Not handling restraint 336, item 1, resonance(s) 'A.7.HB1' (nmrStar names) not linked" rr_1kqe 1 243 2 337 1 "Not handling restraint 337, item 1, resonance(s) 'A.7.HB1' (nmrStar names) not linked" rr_1kqe 1 244 2 338 1 "Not handling restraint 338, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HB1' (nmrStar names) not linked" rr_1kqe 1 245 2 339 1 "Not handling restraint 339, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" rr_1kqe 1 246 2 340 1 "Not handling restraint 340, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 247 2 341 1 "Not handling restraint 341, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HG' (nmrStar names) not linked" rr_1kqe 1 248 2 342 1 "Not handling restraint 342, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 249 2 343 1 "Not handling restraint 343, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 250 2 344 1 "Not handling restraint 344, item 1, resonance(s) 'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 251 2 345 1 "Not handling restraint 345, item 1, resonance(s) 'A.7.HB2' (nmrStar names) not linked" rr_1kqe 1 252 2 345 1 "Not handling restraint 345, item 1, resonance(s) 'A.7.HB2' (nmrStar names) not linked" rr_1kqe 1 253 2 346 1 "Not handling restraint 346, item 1, resonance(s) 'A.7.HB2' (nmrStar names) not linked" rr_1kqe 1 254 2 347 1 "Not handling restraint 347, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" rr_1kqe 1 255 2 348 1 "Not handling restraint 348, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HB2' (nmrStar names) not linked" rr_1kqe 1 256 2 349 1 "Not handling restraint 349, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'A.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 257 2 350 1 "Not handling restraint 350, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'A.7.HG' (nmrStar names) not linked" rr_1kqe 1 258 2 351 1 "Not handling restraint 351, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 259 2 352 1 "Not handling restraint 352, item 1, resonance(s) 'A.9.HA' (nmrStar names),'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 260 2 353 1 "Not handling restraint 353, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 261 2 354 1 "Not handling restraint 354, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 262 2 355 1 "Not handling restraint 355, item 1, resonance(s) 'B.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 263 2 356 1 "Not handling restraint 356, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 264 2 357 1 "Not handling restraint 357, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 265 2 358 1 "Not handling restraint 358, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'A.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 266 2 359 1 "Not handling restraint 359, item 1, resonance(s) 'A.7.HD2*' (nmrStar names),'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 267 2 360 1 "Not handling restraint 360, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HG' (nmrStar names) not linked" rr_1kqe 1 268 2 361 1 "Not handling restraint 361, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HG' (nmrStar names) not linked" rr_1kqe 1 269 2 362 1 "Not handling restraint 362, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'A.7.HG' (nmrStar names) not linked" rr_1kqe 1 270 2 363 1 "Not handling restraint 363, item 1, resonance(s) 'A.7.HA' (nmrStar names),'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 271 2 364 1 "Not handling restraint 364, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 272 2 365 1 "Not handling restraint 365, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 273 2 366 1 "Not handling restraint 366, item 1, resonance(s) 'A.7.HD1*' (nmrStar names),'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 274 2 367 1 "Not handling restraint 367, item 1, resonance(s) 'A.7.HD2*' (nmrStar names),'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 275 2 368 1 "Not handling restraint 368, item 1, resonance(s) 'A.7.HG' (nmrStar names),'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 276 2 369 1 "Not handling restraint 369, item 1, resonance(s) 'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 277 2 370 1 "Not handling restraint 370, item 1, resonance(s) 'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 278 2 371 1 "Not handling restraint 371, item 1, resonance(s) 'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 279 2 372 1 "Not handling restraint 372, item 1, resonance(s) 'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 280 2 373 1 "Not handling restraint 373, item 1, resonance(s) 'A.9.HA' (nmrStar names),'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 281 2 374 1 "Not handling restraint 374, item 1, resonance(s) 'A.7.HB1' (nmrStar names) not linked" rr_1kqe 1 282 2 382 1 "Not handling restraint 382, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 283 2 383 1 "Not handling restraint 383, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 284 2 390 1 "Not handling restraint 390, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 285 2 398 1 "Not handling restraint 398, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 286 2 400 1 "Not handling restraint 400, item 1, resonance(s) 'A.5.HB1' (nmrStar names) not linked" rr_1kqe 1 287 2 401 1 "Not handling restraint 401, item 1, resonance(s) 'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 288 2 402 1 "Not handling restraint 402, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 289 2 404 1 "Not handling restraint 404, item 1, resonance(s) 'A.7.HA' (nmrStar names) not linked" rr_1kqe 1 290 2 405 1 "Not handling restraint 405, item 1, resonance(s) 'A.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 291 2 411 1 "Not handling restraint 411, item 1, resonance(s) 'A.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 292 2 412 1 "Not handling restraint 412, item 1, resonance(s) 'A.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 293 2 414 1 "Not handling restraint 414, item 1, resonance(s) 'A.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 294 2 422 1 "Not handling restraint 422, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 295 2 423 1 "Not handling restraint 423, item 1, resonance(s) 'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 296 2 424 1 "Not handling restraint 424, item 1, resonance(s) 'A.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 297 2 425 1 "Not handling restraint 425, item 1, resonance(s) 'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 298 2 426 1 "Not handling restraint 426, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 299 2 429 1 "Not handling restraint 429, item 1, resonance(s) 'A.7.HG' (nmrStar names) not linked" rr_1kqe 1 300 2 430 1 "Not handling restraint 430, item 1, resonance(s) 'A.7.HN' (nmrStar names) not linked" rr_1kqe 1 301 2 435 1 "Not handling restraint 435, item 1, resonance(s) 'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 302 2 436 1 "Not handling restraint 436, item 1, resonance(s) 'A.9.HB' (nmrStar names) not linked" rr_1kqe 1 303 2 437 1 "Not handling restraint 437, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 304 2 438 1 "Not handling restraint 438, item 1, resonance(s) 'A.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 305 2 443 1 "Not handling restraint 443, item 1, resonance(s) 'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 306 2 444 1 "Not handling restraint 444, item 1, resonance(s) 'A.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 307 2 445 1 "Not handling restraint 445, item 1, resonance(s) 'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 308 2 446 1 "Not handling restraint 446, item 1, resonance(s) 'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 309 2 446 1 "Not handling restraint 446, item 1, resonance(s) 'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 310 2 447 1 "Not handling restraint 447, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 311 2 448 1 "Not handling restraint 448, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 312 2 449 1 "Not handling restraint 449, item 1, resonance(s) 'A.9.HA' (nmrStar names),'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 313 2 450 1 "Not handling restraint 450, item 1, resonance(s) 'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 314 2 451 1 "Not handling restraint 451, item 1, resonance(s) 'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 315 2 452 1 "Not handling restraint 452, item 1, resonance(s) 'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 316 2 453 1 "Not handling restraint 453, item 1, resonance(s) 'A.9.HB' (nmrStar names),'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 317 2 454 1 "Not handling restraint 454, item 1, resonance(s) 'A.9.HG1*' (nmrStar names),'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 318 2 455 1 "Not handling restraint 455, item 1, resonance(s) 'A.9.HA' (nmrStar names),'A.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 319 2 456 1 "Not handling restraint 456, item 1, resonance(s) 'A.9.HA' (nmrStar names),'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 320 2 457 1 "Not handling restraint 457, item 1, resonance(s) 'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 321 2 458 1 "Not handling restraint 458, item 1, resonance(s) 'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 322 2 459 1 "Not handling restraint 459, item 1, resonance(s) 'A.11.HA' (nmrStar names),'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 323 2 460 1 "Not handling restraint 460, item 1, resonance(s) 'B.9.HB' (nmrStar names) not linked" rr_1kqe 1 324 2 461 1 "Not handling restraint 461, item 1, resonance(s) 'A.9.HB' (nmrStar names) not linked" rr_1kqe 1 325 2 462 1 "Not handling restraint 462, item 1, resonance(s) 'A.9.HB' (nmrStar names),'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 326 2 463 1 "Not handling restraint 463, item 1, resonance(s) 'A.9.HG1*' (nmrStar names),'A.9.HB' (nmrStar names) not linked" rr_1kqe 1 327 2 464 1 "Not handling restraint 464, item 1, resonance(s) 'A.9.HB' (nmrStar names),'A.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 328 2 465 1 "Not handling restraint 465, item 1, resonance(s) 'A.9.HB' (nmrStar names),'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 329 2 466 1 "Not handling restraint 466, item 1, resonance(s) 'A.11.HA' (nmrStar names),'B.9.HB' (nmrStar names) not linked" rr_1kqe 1 330 2 467 1 "Not handling restraint 467, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 331 2 467 1 "Not handling restraint 467, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 332 2 468 1 "Not handling restraint 468, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 333 2 469 1 "Not handling restraint 469, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 334 2 470 1 "Not handling restraint 470, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 335 2 471 1 "Not handling restraint 471, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 336 2 472 1 "Not handling restraint 472, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 337 2 473 1 "Not handling restraint 473, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 338 2 474 1 "Not handling restraint 474, item 1, resonance(s) 'A.9.HG1*' (nmrStar names),'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 339 2 475 1 "Not handling restraint 475, item 1, resonance(s) 'A.9.HG1*' (nmrStar names),'A.9.HB' (nmrStar names) not linked" rr_1kqe 1 340 2 476 1 "Not handling restraint 476, item 1, resonance(s) 'A.9.HG1*' (nmrStar names),'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 341 2 477 1 "Not handling restraint 477, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 342 2 478 1 "Not handling restraint 478, item 1, resonance(s) 'B.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 343 2 478 1 "Not handling restraint 478, item 1, resonance(s) 'B.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 344 2 479 1 "Not handling restraint 479, item 1, resonance(s) 'A.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 345 2 480 1 "Not handling restraint 480, item 1, resonance(s) 'A.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 346 2 481 1 "Not handling restraint 481, item 1, resonance(s) 'A.9.HA' (nmrStar names),'A.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 347 2 482 1 "Not handling restraint 482, item 1, resonance(s) 'A.9.HB' (nmrStar names),'A.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 348 2 483 1 "Not handling restraint 483, item 1, resonance(s) 'A.9.HG2*' (nmrStar names),'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 349 2 484 1 "Not handling restraint 484, item 1, resonance(s) 'A.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 350 2 485 1 "Not handling restraint 485, item 1, resonance(s) 'A.11.HA' (nmrStar names),'B.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 351 2 486 1 "Not handling restraint 486, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 352 2 487 1 "Not handling restraint 487, item 1, resonance(s) 'A.9.HA' (nmrStar names),'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 353 2 488 1 "Not handling restraint 488, item 1, resonance(s) 'A.9.HB' (nmrStar names),'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 354 2 489 1 "Not handling restraint 489, item 1, resonance(s) 'A.9.HG1*' (nmrStar names),'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 355 2 490 1 "Not handling restraint 490, item 1, resonance(s) 'A.9.HG2*' (nmrStar names),'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 356 2 491 1 "Not handling restraint 491, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 357 2 492 1 "Not handling restraint 492, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 358 2 493 1 "Not handling restraint 493, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 359 2 494 1 "Not handling restraint 494, item 1, resonance(s) 'A.11.HA' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 360 2 495 1 "Not handling restraint 495, item 1, resonance(s) 'A.11.HB' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 361 2 496 1 "Not handling restraint 496, item 1, resonance(s) 'B.9.HN' (nmrStar names),'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 362 2 497 1 "Not handling restraint 497, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 363 2 498 1 "Not handling restraint 498, item 1, resonance(s) 'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 364 2 499 1 "Not handling restraint 499, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 365 2 504 1 "Not handling restraint 504, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 366 2 505 1 "Not handling restraint 505, item 1, resonance(s) 'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 367 2 506 1 "Not handling restraint 506, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 368 2 512 1 "Not handling restraint 512, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 369 2 517 1 "Not handling restraint 517, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 370 2 527 1 "Not handling restraint 527, item 1, resonance(s) 'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 371 2 528 1 "Not handling restraint 528, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 372 2 532 1 "Not handling restraint 532, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 373 2 539 1 "Not handling restraint 539, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 374 2 540 1 "Not handling restraint 540, item 1, resonance(s) 'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 375 2 541 1 "Not handling restraint 541, item 1, resonance(s) 'A.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 376 2 542 1 "Not handling restraint 542, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 377 2 543 1 "Not handling restraint 543, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 378 2 544 1 "Not handling restraint 544, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 379 2 545 1 "Not handling restraint 545, item 1, resonance(s) 'A.11.HA' (nmrStar names),'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 380 2 546 1 "Not handling restraint 546, item 1, resonance(s) 'A.9.HB' (nmrStar names),'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 381 2 547 1 "Not handling restraint 547, item 1, resonance(s) 'A.11.HA' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 382 2 548 1 "Not handling restraint 548, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 383 2 549 1 "Not handling restraint 549, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 384 2 550 1 "Not handling restraint 550, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 385 2 551 1 "Not handling restraint 551, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 386 2 552 1 "Not handling restraint 552, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 387 2 553 1 "Not handling restraint 553, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 388 2 554 1 "Not handling restraint 554, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 389 2 555 1 "Not handling restraint 555, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 390 2 556 1 "Not handling restraint 556, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 391 2 557 1 "Not handling restraint 557, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 392 2 558 1 "Not handling restraint 558, item 1, resonance(s) 'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 393 2 559 1 "Not handling restraint 559, item 1, resonance(s) 'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 394 2 560 1 "Not handling restraint 560, item 1, resonance(s) 'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 395 2 561 1 "Not handling restraint 561, item 1, resonance(s) 'A.9.HN' (nmrStar names),'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 396 2 562 1 "Not handling restraint 562, item 1, resonance(s) 'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 397 2 563 1 "Not handling restraint 563, item 1, resonance(s) 'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 398 2 564 1 "Not handling restraint 564, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 399 2 565 1 "Not handling restraint 565, item 1, resonance(s) 'A.11.HB' (nmrStar names),'A.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 400 2 566 1 "Not handling restraint 566, item 1, resonance(s) 'A.11.HB' (nmrStar names),'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 401 2 567 1 "Not handling restraint 567, item 1, resonance(s) 'A.11.HB' (nmrStar names),'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 402 2 568 1 "Not handling restraint 568, item 1, resonance(s) 'B.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 403 2 569 1 "Not handling restraint 569, item 1, resonance(s) 'B.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 404 2 570 1 "Not handling restraint 570, item 1, resonance(s) 'A.9.HN' (nmrStar names),'B.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 405 2 571 1 "Not handling restraint 571, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 406 2 572 1 "Not handling restraint 572, item 1, resonance(s) 'A.11.HB' (nmrStar names),'A.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 407 2 573 1 "Not handling restraint 573, item 1, resonance(s) 'A.11.HG1*' (nmrStar names),'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 408 2 574 1 "Not handling restraint 574, item 1, resonance(s) 'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 409 2 575 1 "Not handling restraint 575, item 1, resonance(s) 'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 410 2 576 1 "Not handling restraint 576, item 1, resonance(s) 'A.9.HN' (nmrStar names),'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 411 2 577 1 "Not handling restraint 577, item 1, resonance(s) 'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 412 2 578 1 "Not handling restraint 578, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 413 2 579 1 "Not handling restraint 579, item 1, resonance(s) 'A.11.HB' (nmrStar names),'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 414 2 580 1 "Not handling restraint 580, item 1, resonance(s) 'A.11.HG2*' (nmrStar names),'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 415 2 581 1 "Not handling restraint 581, item 1, resonance(s) 'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 416 2 582 1 "Not handling restraint 582, item 1, resonance(s) 'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 417 2 583 1 "Not handling restraint 583, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 418 2 584 1 "Not handling restraint 584, item 1, resonance(s) 'A.11.HA' (nmrStar names),'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 419 2 585 1 "Not handling restraint 585, item 1, resonance(s) 'A.11.HB' (nmrStar names),'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 420 2 586 1 "Not handling restraint 586, item 1, resonance(s) 'A.11.HG1*' (nmrStar names),'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 421 2 587 1 "Not handling restraint 587, item 1, resonance(s) 'A.11.HG2*' (nmrStar names),'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 422 2 588 1 "Not handling restraint 588, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 423 2 589 1 "Not handling restraint 589, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 424 2 590 1 "Not handling restraint 590, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 425 2 591 1 "Not handling restraint 591, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 426 2 592 1 "Not handling restraint 592, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 427 2 593 1 "Not handling restraint 593, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 428 2 594 1 "Not handling restraint 594, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 429 2 595 1 "Not handling restraint 595, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 430 2 600 1 "Not handling restraint 600, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 431 2 604 1 "Not handling restraint 604, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 432 2 605 1 "Not handling restraint 605, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 433 2 611 1 "Not handling restraint 611, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 434 2 616 1 "Not handling restraint 616, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 435 2 621 1 "Not handling restraint 621, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 436 2 626 1 "Not handling restraint 626, item 1, resonance(s) 'A.25.H11' (nmrStar names),'A.25.H21' (nmrStar names) not linked" rr_1kqe 1 437 2 627 1 "Not handling restraint 627, item 1, resonance(s) 'A.25.H11' (nmrStar names),'A.25.HN' (nmrStar names) not linked" rr_1kqe 1 438 2 628 1 "Not handling restraint 628, item 1, resonance(s) 'A.25.H21' (nmrStar names),'A.25.H12' (nmrStar names) not linked" rr_1kqe 1 439 2 629 1 "Not handling restraint 629, item 1, resonance(s) 'A.25.H12' (nmrStar names),'A.25.H22' (nmrStar names) not linked" rr_1kqe 1 440 2 630 1 "Not handling restraint 630, item 1, resonance(s) 'A.25.HN' (nmrStar names),'A.25.H12' (nmrStar names) not linked" rr_1kqe 1 441 2 631 1 "Not handling restraint 631, item 1, resonance(s) 'B.25.H12' (nmrStar names),'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 442 2 632 1 "Not handling restraint 632, item 1, resonance(s) 'A.25.H11' (nmrStar names),'A.25.H21' (nmrStar names) not linked" rr_1kqe 1 443 2 633 1 "Not handling restraint 633, item 1, resonance(s) 'A.25.H21' (nmrStar names),'A.25.H12' (nmrStar names) not linked" rr_1kqe 1 444 2 634 1 "Not handling restraint 634, item 1, resonance(s) 'A.25.H12' (nmrStar names),'A.25.H22' (nmrStar names) not linked" rr_1kqe 1 445 2 635 1 "Not handling restraint 635, item 1, resonance(s) 'A.25.H21' (nmrStar names),'A.25.HN' (nmrStar names) not linked" rr_1kqe 1 446 2 636 1 "Not handling restraint 636, item 1, resonance(s) 'A.25.H21' (nmrStar names) not linked" rr_1kqe 1 447 2 637 1 "Not handling restraint 637, item 1, resonance(s) 'A.23.HA' (nmrStar names),'B.25.H21' (nmrStar names) not linked" rr_1kqe 1 448 2 638 1 "Not handling restraint 638, item 1, resonance(s) 'A.25.H11' (nmrStar names),'A.25.HN' (nmrStar names) not linked" rr_1kqe 1 449 2 639 1 "Not handling restraint 639, item 1, resonance(s) 'A.25.HN' (nmrStar names),'A.25.H12' (nmrStar names) not linked" rr_1kqe 1 450 2 640 1 "Not handling restraint 640, item 1, resonance(s) 'A.25.HN' (nmrStar names),'A.25.H22' (nmrStar names) not linked" rr_1kqe 1 451 2 641 1 "Not handling restraint 641, item 1, resonance(s) 'A.25.H21' (nmrStar names),'A.25.HN' (nmrStar names) not linked" rr_1kqe 1 452 2 642 1 "Not handling restraint 642, item 1, resonance(s) 'A.25.HN' (nmrStar names) not linked" rr_1kqe 1 453 2 643 1 "Not handling restraint 643, item 1, resonance(s) 'B.25.HN' (nmrStar names),'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 454 2 644 1 "Not handling restraint 644, item 1, resonance(s) 'B.25.HN' (nmrStar names) not linked" rr_1kqe 1 455 2 645 1 "Not handling restraint 645, item 1, resonance(s) 'A.25.H21' (nmrStar names) not linked" rr_1kqe 1 456 2 646 1 "Not handling restraint 646, item 1, resonance(s) 'A.25.HN' (nmrStar names) not linked" rr_1kqe 1 457 2 651 1 "Not handling restraint 651, item 1, resonance(s) 'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 458 2 652 1 "Not handling restraint 652, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 459 2 664 1 "Not handling restraint 664, item 1, resonance(s) 'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 460 2 672 1 "Not handling restraint 672, item 1, resonance(s) 'A.21.HA' (nmrStar names) not linked" rr_1kqe 1 461 2 673 1 "Not handling restraint 673, item 1, resonance(s) 'A.21.HB1' (nmrStar names) not linked" rr_1kqe 1 462 2 674 1 "Not handling restraint 674, item 1, resonance(s) 'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 463 2 675 1 "Not handling restraint 675, item 1, resonance(s) 'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 464 2 676 1 "Not handling restraint 676, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 465 2 680 1 "Not handling restraint 680, item 1, resonance(s) 'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 466 2 681 1 "Not handling restraint 681, item 1, resonance(s) 'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 467 2 682 1 "Not handling restraint 682, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 468 2 685 1 "Not handling restraint 685, item 1, resonance(s) 'B.25.H12' (nmrStar names),'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 469 2 686 1 "Not handling restraint 686, item 1, resonance(s) 'A.23.HA' (nmrStar names),'B.25.H21' (nmrStar names) not linked" rr_1kqe 1 470 2 687 1 "Not handling restraint 687, item 1, resonance(s) 'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 471 2 688 1 "Not handling restraint 688, item 1, resonance(s) 'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 472 2 689 1 "Not handling restraint 689, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 473 2 690 1 "Not handling restraint 690, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HB2' (nmrStar names) not linked" rr_1kqe 1 474 2 691 1 "Not handling restraint 691, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 475 2 692 1 "Not handling restraint 692, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 476 2 693 1 "Not handling restraint 693, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 477 2 694 1 "Not handling restraint 694, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 478 2 695 1 "Not handling restraint 695, item 1, resonance(s) 'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 479 2 696 1 "Not handling restraint 696, item 1, resonance(s) 'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 480 2 697 1 "Not handling restraint 697, item 1, resonance(s) 'A.25.H12' (nmrStar names),'B.23.HB1' (nmrStar names) not linked" rr_1kqe 1 481 2 698 1 "Not handling restraint 698, item 1, resonance(s) 'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 482 2 699 1 "Not handling restraint 699, item 1, resonance(s) 'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 483 2 700 1 "Not handling restraint 700, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 484 2 701 1 "Not handling restraint 701, item 1, resonance(s) 'A.23.HB1' (nmrStar names),'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 485 2 702 1 "Not handling restraint 702, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 486 2 703 1 "Not handling restraint 703, item 1, resonance(s) 'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 487 2 704 1 "Not handling restraint 704, item 1, resonance(s) 'A.21.HA' (nmrStar names),'B.23.HB1' (nmrStar names) not linked" rr_1kqe 1 488 2 705 1 "Not handling restraint 705, item 1, resonance(s) 'A.21.HD2*' (nmrStar names),'B.23.HB1' (nmrStar names) not linked" rr_1kqe 1 489 2 706 1 "Not handling restraint 706, item 1, resonance(s) 'B.23.HB1' (nmrStar names) not linked" rr_1kqe 1 490 2 707 1 "Not handling restraint 707, item 1, resonance(s) 'A.23.HB2' (nmrStar names) not linked" rr_1kqe 1 491 2 708 1 "Not handling restraint 708, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HB2' (nmrStar names) not linked" rr_1kqe 1 492 2 709 1 "Not handling restraint 709, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HB2' (nmrStar names) not linked" rr_1kqe 1 493 2 710 1 "Not handling restraint 710, item 1, resonance(s) 'A.25.H12' (nmrStar names),'B.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 494 2 711 1 "Not handling restraint 711, item 1, resonance(s) 'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 495 2 712 1 "Not handling restraint 712, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 496 2 713 1 "Not handling restraint 713, item 1, resonance(s) 'A.23.HB1' (nmrStar names),'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 497 2 714 1 "Not handling restraint 714, item 1, resonance(s) 'A.23.HD1*' (nmrStar names),'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 498 2 715 1 "Not handling restraint 715, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 499 2 716 1 "Not handling restraint 716, item 1, resonance(s) 'B.23.HD1*' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 500 2 717 1 "Not handling restraint 717, item 1, resonance(s) 'B.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 501 2 718 1 "Not handling restraint 718, item 1, resonance(s) 'B.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 502 2 719 1 "Not handling restraint 719, item 1, resonance(s) 'A.25.H12' (nmrStar names),'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 503 2 720 1 "Not handling restraint 720, item 1, resonance(s) 'A.25.H21' (nmrStar names),'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 504 2 721 1 "Not handling restraint 721, item 1, resonance(s) 'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 505 2 722 1 "Not handling restraint 722, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 506 2 723 1 "Not handling restraint 723, item 1, resonance(s) 'A.23.HD2*' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 507 2 724 1 "Not handling restraint 724, item 1, resonance(s) 'A.23.HD2*' (nmrStar names),'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 508 2 725 1 "Not handling restraint 725, item 1, resonance(s) 'A.23.HD2*' (nmrStar names),'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 509 2 726 1 "Not handling restraint 726, item 1, resonance(s) 'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 510 2 727 1 "Not handling restraint 727, item 1, resonance(s) 'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 511 2 728 1 "Not handling restraint 728, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 512 2 729 1 "Not handling restraint 729, item 1, resonance(s) 'A.23.HD2*' (nmrStar names),'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 513 2 730 1 "Not handling restraint 730, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 514 2 731 1 "Not handling restraint 731, item 1, resonance(s) 'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 515 2 732 1 "Not handling restraint 732, item 1, resonance(s) 'B.23.HG' (nmrStar names) not linked" rr_1kqe 1 516 2 733 1 "Not handling restraint 733, item 1, resonance(s) 'B.25.H12' (nmrStar names),'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 517 2 734 1 "Not handling restraint 734, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 518 2 735 1 "Not handling restraint 735, item 1, resonance(s) 'A.23.HA' (nmrStar names),'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 519 2 736 1 "Not handling restraint 736, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 520 2 737 1 "Not handling restraint 737, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HB2' (nmrStar names) not linked" rr_1kqe 1 521 2 738 1 "Not handling restraint 738, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 522 2 739 1 "Not handling restraint 739, item 1, resonance(s) 'A.23.HD2*' (nmrStar names),'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 523 2 740 1 "Not handling restraint 740, item 1, resonance(s) 'A.23.HN' (nmrStar names),'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 524 2 741 1 "Not handling restraint 741, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 525 2 742 1 "Not handling restraint 742, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 526 2 743 1 "Not handling restraint 743, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 527 2 744 1 "Not handling restraint 744, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 528 2 745 1 "Not handling restraint 745, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 529 2 746 1 "Not handling restraint 746, item 1, resonance(s) 'A.21.HA' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 530 2 747 1 "Not handling restraint 747, item 1, resonance(s) 'A.21.HD2*' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 531 2 748 1 "Not handling restraint 748, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 532 2 749 1 "Not handling restraint 749, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 533 2 750 1 "Not handling restraint 750, item 1, resonance(s) 'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 534 2 751 1 "Not handling restraint 751, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 535 2 756 1 "Not handling restraint 756, item 1, resonance(s) 'A.25.HN' (nmrStar names) not linked" rr_1kqe 1 536 2 759 1 "Not handling restraint 759, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 537 2 767 1 "Not handling restraint 767, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 538 2 775 1 "Not handling restraint 775, item 1, resonance(s) 'A.23.HA' (nmrStar names) not linked" rr_1kqe 1 539 2 776 1 "Not handling restraint 776, item 1, resonance(s) 'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 540 2 782 1 "Not handling restraint 782, item 1, resonance(s) 'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 541 2 783 1 "Not handling restraint 783, item 1, resonance(s) 'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 542 2 786 1 "Not handling restraint 786, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 543 2 792 1 "Not handling restraint 792, item 1, resonance(s) 'A.19.HA' (nmrStar names) not linked" rr_1kqe 1 544 2 793 1 "Not handling restraint 793, item 1, resonance(s) 'A.19.HB1' (nmrStar names) not linked" rr_1kqe 1 545 2 794 1 "Not handling restraint 794, item 1, resonance(s) 'A.19.HB2' (nmrStar names) not linked" rr_1kqe 1 546 2 795 1 "Not handling restraint 795, item 1, resonance(s) 'A.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 547 2 796 1 "Not handling restraint 796, item 1, resonance(s) 'A.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 548 2 797 1 "Not handling restraint 797, item 1, resonance(s) 'B.25.HN' (nmrStar names) not linked" rr_1kqe 1 549 2 800 1 "Not handling restraint 800, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 550 2 804 1 "Not handling restraint 804, item 1, resonance(s) 'A.21.HA' (nmrStar names) not linked" rr_1kqe 1 551 2 805 1 "Not handling restraint 805, item 1, resonance(s) 'A.21.HB1' (nmrStar names) not linked" rr_1kqe 1 552 2 806 1 "Not handling restraint 806, item 1, resonance(s) 'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 553 2 807 1 "Not handling restraint 807, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 554 2 808 1 "Not handling restraint 808, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 555 2 812 1 "Not handling restraint 812, item 1, resonance(s) 'A.23.HB1' (nmrStar names),'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 556 2 813 1 "Not handling restraint 813, item 1, resonance(s) 'A.21.HA' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 557 2 814 1 "Not handling restraint 814, item 1, resonance(s) 'A.21.HA' (nmrStar names) not linked" rr_1kqe 1 558 2 815 1 "Not handling restraint 815, item 1, resonance(s) 'A.21.HA' (nmrStar names) not linked" rr_1kqe 1 559 2 816 1 "Not handling restraint 816, item 1, resonance(s) 'A.21.HA' (nmrStar names) not linked" rr_1kqe 1 560 2 817 1 "Not handling restraint 817, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HB1' (nmrStar names) not linked" rr_1kqe 1 561 2 818 1 "Not handling restraint 818, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 562 2 819 1 "Not handling restraint 819, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 563 2 820 1 "Not handling restraint 820, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 564 2 821 1 "Not handling restraint 821, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 565 2 822 1 "Not handling restraint 822, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 566 2 823 1 "Not handling restraint 823, item 1, resonance(s) 'A.21.HA' (nmrStar names) not linked" rr_1kqe 1 567 2 824 1 "Not handling restraint 824, item 1, resonance(s) 'A.21.HB1' (nmrStar names) not linked" rr_1kqe 1 568 2 825 1 "Not handling restraint 825, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HB1' (nmrStar names) not linked" rr_1kqe 1 569 2 826 1 "Not handling restraint 826, item 1, resonance(s) 'A.21.HB1' (nmrStar names),'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 570 2 827 1 "Not handling restraint 827, item 1, resonance(s) 'A.21.HB1' (nmrStar names),'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 571 2 828 1 "Not handling restraint 828, item 1, resonance(s) 'A.21.HB1' (nmrStar names),'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 572 2 829 1 "Not handling restraint 829, item 1, resonance(s) 'A.21.HB1' (nmrStar names),'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 573 2 830 1 "Not handling restraint 830, item 1, resonance(s) 'A.21.HB1' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 574 2 831 1 "Not handling restraint 831, item 1, resonance(s) 'B.21.HB1' (nmrStar names) not linked" rr_1kqe 1 575 2 832 1 "Not handling restraint 832, item 1, resonance(s) 'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 576 2 833 1 "Not handling restraint 833, item 1, resonance(s) 'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 577 2 834 1 "Not handling restraint 834, item 1, resonance(s) 'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 578 2 835 1 "Not handling restraint 835, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 579 2 836 1 "Not handling restraint 836, item 1, resonance(s) 'A.21.HB1' (nmrStar names),'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 580 2 837 1 "Not handling restraint 837, item 1, resonance(s) 'A.21.HB2' (nmrStar names),'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 581 2 838 1 "Not handling restraint 838, item 1, resonance(s) 'A.21.HB2' (nmrStar names),'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 582 2 839 1 "Not handling restraint 839, item 1, resonance(s) 'A.21.HB2' (nmrStar names),'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 583 2 840 1 "Not handling restraint 840, item 1, resonance(s) 'A.21.HB2' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 584 2 841 1 "Not handling restraint 841, item 1, resonance(s) 'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 585 2 842 1 "Not handling restraint 842, item 1, resonance(s) 'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 586 2 843 1 "Not handling restraint 843, item 1, resonance(s) 'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 587 2 844 1 "Not handling restraint 844, item 1, resonance(s) 'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 588 2 845 1 "Not handling restraint 845, item 1, resonance(s) 'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 589 2 846 1 "Not handling restraint 846, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 590 2 847 1 "Not handling restraint 847, item 1, resonance(s) 'A.21.HB1' (nmrStar names),'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 591 2 848 1 "Not handling restraint 848, item 1, resonance(s) 'A.21.HB2' (nmrStar names),'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 592 2 849 1 "Not handling restraint 849, item 1, resonance(s) 'A.21.HD1*' (nmrStar names),'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 593 2 850 1 "Not handling restraint 850, item 1, resonance(s) 'A.21.HD1*' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 594 2 851 1 "Not handling restraint 851, item 1, resonance(s) 'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 595 2 852 1 "Not handling restraint 852, item 1, resonance(s) 'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 596 2 853 1 "Not handling restraint 853, item 1, resonance(s) 'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 597 2 854 1 "Not handling restraint 854, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 598 2 855 1 "Not handling restraint 855, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 599 2 856 1 "Not handling restraint 856, item 1, resonance(s) 'A.23.HB1' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 600 2 857 1 "Not handling restraint 857, item 1, resonance(s) 'A.23.HN' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 601 2 858 1 "Not handling restraint 858, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 602 2 859 1 "Not handling restraint 859, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 603 2 860 1 "Not handling restraint 860, item 1, resonance(s) 'A.21.HB1' (nmrStar names),'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 604 2 861 1 "Not handling restraint 861, item 1, resonance(s) 'A.21.HB2' (nmrStar names),'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 605 2 862 1 "Not handling restraint 862, item 1, resonance(s) 'A.21.HD1*' (nmrStar names),'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 606 2 863 1 "Not handling restraint 863, item 1, resonance(s) 'A.21.HD2*' (nmrStar names),'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 607 2 864 1 "Not handling restraint 864, item 1, resonance(s) 'A.21.HD2*' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 608 2 865 1 "Not handling restraint 865, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 609 2 866 1 "Not handling restraint 866, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 610 2 866 1 "Not handling restraint 866, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 611 2 867 1 "Not handling restraint 867, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 612 2 868 1 "Not handling restraint 868, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 613 2 869 1 "Not handling restraint 869, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 614 2 870 1 "Not handling restraint 870, item 1, resonance(s) 'A.21.HB1' (nmrStar names),'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 615 2 871 1 "Not handling restraint 871, item 1, resonance(s) 'A.21.HB2' (nmrStar names),'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 616 2 872 1 "Not handling restraint 872, item 1, resonance(s) 'A.21.HD2*' (nmrStar names),'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 617 2 873 1 "Not handling restraint 873, item 1, resonance(s) 'A.21.HN' (nmrStar names),'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 618 2 874 1 "Not handling restraint 874, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 619 2 875 1 "Not handling restraint 875, item 1, resonance(s) 'A.21.HA' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 620 2 876 1 "Not handling restraint 876, item 1, resonance(s) 'A.21.HB1' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 621 2 877 1 "Not handling restraint 877, item 1, resonance(s) 'A.21.HB2' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 622 2 878 1 "Not handling restraint 878, item 1, resonance(s) 'A.21.HD1*' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 623 2 879 1 "Not handling restraint 879, item 1, resonance(s) 'A.21.HD2*' (nmrStar names),'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 624 2 880 1 "Not handling restraint 880, item 1, resonance(s) 'A.21.HN' (nmrStar names),'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 625 2 881 1 "Not handling restraint 881, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 626 2 882 1 "Not handling restraint 882, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 627 2 882 1 "Not handling restraint 882, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 628 2 883 1 "Not handling restraint 883, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 629 2 884 1 "Not handling restraint 884, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 630 2 885 1 "Not handling restraint 885, item 1, resonance(s) 'A.19.HA' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 631 2 886 1 "Not handling restraint 886, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 632 2 887 1 "Not handling restraint 887, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 633 2 888 1 "Not handling restraint 888, item 1, resonance(s) 'A.21.HA' (nmrStar names) not linked" rr_1kqe 1 634 2 889 1 "Not handling restraint 889, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 635 2 897 1 "Not handling restraint 897, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 636 2 897 1 "Not handling restraint 897, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 637 2 899 1 "Not handling restraint 899, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 638 2 899 1 "Not handling restraint 899, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 639 2 905 1 "Not handling restraint 905, item 1, resonance(s) 'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 640 2 906 1 "Not handling restraint 906, item 1, resonance(s) 'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 641 2 907 1 "Not handling restraint 907, item 1, resonance(s) 'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 642 2 908 1 "Not handling restraint 908, item 1, resonance(s) 'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 643 2 909 1 "Not handling restraint 909, item 1, resonance(s) 'A.21.HA' (nmrStar names) not linked" rr_1kqe 1 644 2 910 1 "Not handling restraint 910, item 1, resonance(s) 'A.21.HB1' (nmrStar names) not linked" rr_1kqe 1 645 2 911 1 "Not handling restraint 911, item 1, resonance(s) 'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 646 2 912 1 "Not handling restraint 912, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 647 2 913 1 "Not handling restraint 913, item 1, resonance(s) 'A.21.HG' (nmrStar names) not linked" rr_1kqe 1 648 2 914 1 "Not handling restraint 914, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 649 2 922 1 "Not handling restraint 922, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 650 2 923 1 "Not handling restraint 923, item 1, resonance(s) 'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 651 2 924 1 "Not handling restraint 924, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 652 2 933 1 "Not handling restraint 933, item 1, resonance(s) 'A.17.HB' (nmrStar names) not linked" rr_1kqe 1 653 2 934 1 "Not handling restraint 934, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 654 2 935 1 "Not handling restraint 935, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 655 2 937 1 "Not handling restraint 937, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 656 2 941 1 "Not handling restraint 941, item 1, resonance(s) 'A.19.HA' (nmrStar names) not linked" rr_1kqe 1 657 2 942 1 "Not handling restraint 942, item 1, resonance(s) 'A.19.HB1' (nmrStar names) not linked" rr_1kqe 1 658 2 943 1 "Not handling restraint 943, item 1, resonance(s) 'A.19.HB2' (nmrStar names) not linked" rr_1kqe 1 659 2 944 1 "Not handling restraint 944, item 1, resonance(s) 'A.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 660 2 945 1 "Not handling restraint 945, item 1, resonance(s) 'A.19.HG' (nmrStar names) not linked" rr_1kqe 1 661 2 946 1 "Not handling restraint 946, item 1, resonance(s) 'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 662 2 948 1 "Not handling restraint 948, item 1, resonance(s) 'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 663 2 949 1 "Not handling restraint 949, item 1, resonance(s) 'A.21.HB2' (nmrStar names),'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 664 2 950 1 "Not handling restraint 950, item 1, resonance(s) 'A.19.HA' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 665 2 951 1 "Not handling restraint 951, item 1, resonance(s) 'A.19.HA' (nmrStar names) not linked" rr_1kqe 1 666 2 951 1 "Not handling restraint 951, item 1, resonance(s) 'A.19.HA' (nmrStar names) not linked" rr_1kqe 1 667 2 952 1 "Not handling restraint 952, item 1, resonance(s) 'A.19.HA' (nmrStar names) not linked" rr_1kqe 1 668 2 953 1 "Not handling restraint 953, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HB1' (nmrStar names) not linked" rr_1kqe 1 669 2 954 1 "Not handling restraint 954, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HB2' (nmrStar names) not linked" rr_1kqe 1 670 2 955 1 "Not handling restraint 955, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 671 2 956 1 "Not handling restraint 956, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 672 2 957 1 "Not handling restraint 957, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HG' (nmrStar names) not linked" rr_1kqe 1 673 2 958 1 "Not handling restraint 958, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 674 2 959 1 "Not handling restraint 959, item 1, resonance(s) 'A.19.HA' (nmrStar names) not linked" rr_1kqe 1 675 2 960 1 "Not handling restraint 960, item 1, resonance(s) 'B.19.HB1' (nmrStar names) not linked" rr_1kqe 1 676 2 961 1 "Not handling restraint 961, item 1, resonance(s) 'A.19.HB1' (nmrStar names) not linked" rr_1kqe 1 677 2 961 1 "Not handling restraint 961, item 1, resonance(s) 'A.19.HB1' (nmrStar names) not linked" rr_1kqe 1 678 2 962 1 "Not handling restraint 962, item 1, resonance(s) 'A.19.HB1' (nmrStar names) not linked" rr_1kqe 1 679 2 963 1 "Not handling restraint 963, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HB1' (nmrStar names) not linked" rr_1kqe 1 680 2 964 1 "Not handling restraint 964, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'A.19.HB2' (nmrStar names) not linked" rr_1kqe 1 681 2 965 1 "Not handling restraint 965, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'A.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 682 2 966 1 "Not handling restraint 966, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'A.19.HG' (nmrStar names) not linked" rr_1kqe 1 683 2 967 1 "Not handling restraint 967, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 684 2 968 1 "Not handling restraint 968, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 685 2 969 1 "Not handling restraint 969, item 1, resonance(s) 'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 686 2 970 1 "Not handling restraint 970, item 1, resonance(s) 'A.19.HB2' (nmrStar names) not linked" rr_1kqe 1 687 2 970 1 "Not handling restraint 970, item 1, resonance(s) 'A.19.HB2' (nmrStar names) not linked" rr_1kqe 1 688 2 971 1 "Not handling restraint 971, item 1, resonance(s) 'A.19.HB2' (nmrStar names) not linked" rr_1kqe 1 689 2 972 1 "Not handling restraint 972, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HB2' (nmrStar names) not linked" rr_1kqe 1 690 2 973 1 "Not handling restraint 973, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'A.19.HB2' (nmrStar names) not linked" rr_1kqe 1 691 2 974 1 "Not handling restraint 974, item 1, resonance(s) 'A.19.HB2' (nmrStar names),'A.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 692 2 975 1 "Not handling restraint 975, item 1, resonance(s) 'A.19.HB2' (nmrStar names),'A.19.HG' (nmrStar names) not linked" rr_1kqe 1 693 2 976 1 "Not handling restraint 976, item 1, resonance(s) 'A.19.HB2' (nmrStar names),'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 694 2 977 1 "Not handling restraint 977, item 1, resonance(s) 'A.17.HA' (nmrStar names),'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 695 2 978 1 "Not handling restraint 978, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 696 2 979 1 "Not handling restraint 979, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'A.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 697 2 980 1 "Not handling restraint 980, item 1, resonance(s) 'B.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 698 2 981 1 "Not handling restraint 981, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 699 2 982 1 "Not handling restraint 982, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'A.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 700 2 983 1 "Not handling restraint 983, item 1, resonance(s) 'A.19.HB2' (nmrStar names),'A.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 701 2 984 1 "Not handling restraint 984, item 1, resonance(s) 'A.19.HD2*' (nmrStar names),'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 702 2 985 1 "Not handling restraint 985, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HG' (nmrStar names) not linked" rr_1kqe 1 703 2 986 1 "Not handling restraint 986, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'A.19.HG' (nmrStar names) not linked" rr_1kqe 1 704 2 987 1 "Not handling restraint 987, item 1, resonance(s) 'A.19.HB2' (nmrStar names),'A.19.HG' (nmrStar names) not linked" rr_1kqe 1 705 2 988 1 "Not handling restraint 988, item 1, resonance(s) 'A.19.HA' (nmrStar names),'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 706 2 989 1 "Not handling restraint 989, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 707 2 990 1 "Not handling restraint 990, item 1, resonance(s) 'A.19.HB2' (nmrStar names),'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 708 2 991 1 "Not handling restraint 991, item 1, resonance(s) 'A.19.HD1*' (nmrStar names),'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 709 2 992 1 "Not handling restraint 992, item 1, resonance(s) 'A.19.HD2*' (nmrStar names),'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 710 2 993 1 "Not handling restraint 993, item 1, resonance(s) 'A.19.HG' (nmrStar names),'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 711 2 994 1 "Not handling restraint 994, item 1, resonance(s) 'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 712 2 995 1 "Not handling restraint 995, item 1, resonance(s) 'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 713 2 996 1 "Not handling restraint 996, item 1, resonance(s) 'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 714 2 997 1 "Not handling restraint 997, item 1, resonance(s) 'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 715 2 998 1 "Not handling restraint 998, item 1, resonance(s) 'A.17.HA' (nmrStar names),'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 716 2 999 1 "Not handling restraint 999, item 1, resonance(s) 'A.19.HB1' (nmrStar names) not linked" rr_1kqe 1 717 2 1007 1 "Not handling restraint 1007, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 718 2 1008 1 "Not handling restraint 1008, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 719 2 1015 1 "Not handling restraint 1015, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 720 2 1023 1 "Not handling restraint 1023, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 721 2 1025 1 "Not handling restraint 1025, item 1, resonance(s) 'A.21.HB1' (nmrStar names) not linked" rr_1kqe 1 722 2 1026 1 "Not handling restraint 1026, item 1, resonance(s) 'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 723 2 1027 1 "Not handling restraint 1027, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 724 2 1029 1 "Not handling restraint 1029, item 1, resonance(s) 'A.19.HA' (nmrStar names) not linked" rr_1kqe 1 725 2 1030 1 "Not handling restraint 1030, item 1, resonance(s) 'A.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 726 2 1036 1 "Not handling restraint 1036, item 1, resonance(s) 'A.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 727 2 1037 1 "Not handling restraint 1037, item 1, resonance(s) 'A.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 728 2 1039 1 "Not handling restraint 1039, item 1, resonance(s) 'A.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 729 2 1047 1 "Not handling restraint 1047, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 730 2 1048 1 "Not handling restraint 1048, item 1, resonance(s) 'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 731 2 1049 1 "Not handling restraint 1049, item 1, resonance(s) 'A.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 732 2 1050 1 "Not handling restraint 1050, item 1, resonance(s) 'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 733 2 1051 1 "Not handling restraint 1051, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 734 2 1054 1 "Not handling restraint 1054, item 1, resonance(s) 'A.19.HG' (nmrStar names) not linked" rr_1kqe 1 735 2 1055 1 "Not handling restraint 1055, item 1, resonance(s) 'A.19.HN' (nmrStar names) not linked" rr_1kqe 1 736 2 1060 1 "Not handling restraint 1060, item 1, resonance(s) 'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 737 2 1061 1 "Not handling restraint 1061, item 1, resonance(s) 'A.17.HB' (nmrStar names) not linked" rr_1kqe 1 738 2 1062 1 "Not handling restraint 1062, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 739 2 1063 1 "Not handling restraint 1063, item 1, resonance(s) 'A.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 740 2 1068 1 "Not handling restraint 1068, item 1, resonance(s) 'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 741 2 1069 1 "Not handling restraint 1069, item 1, resonance(s) 'A.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 742 2 1070 1 "Not handling restraint 1070, item 1, resonance(s) 'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 743 2 1071 1 "Not handling restraint 1071, item 1, resonance(s) 'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 744 2 1071 1 "Not handling restraint 1071, item 1, resonance(s) 'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 745 2 1072 1 "Not handling restraint 1072, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 746 2 1073 1 "Not handling restraint 1073, item 1, resonance(s) 'A.19.HB2' (nmrStar names),'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 747 2 1074 1 "Not handling restraint 1074, item 1, resonance(s) 'A.17.HA' (nmrStar names),'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 748 2 1075 1 "Not handling restraint 1075, item 1, resonance(s) 'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 749 2 1076 1 "Not handling restraint 1076, item 1, resonance(s) 'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 750 2 1077 1 "Not handling restraint 1077, item 1, resonance(s) 'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 751 2 1078 1 "Not handling restraint 1078, item 1, resonance(s) 'A.17.HB' (nmrStar names),'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 752 2 1079 1 "Not handling restraint 1079, item 1, resonance(s) 'A.17.HG1*' (nmrStar names),'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 753 2 1080 1 "Not handling restraint 1080, item 1, resonance(s) 'A.17.HA' (nmrStar names),'A.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 754 2 1081 1 "Not handling restraint 1081, item 1, resonance(s) 'A.17.HA' (nmrStar names),'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 755 2 1082 1 "Not handling restraint 1082, item 1, resonance(s) 'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 756 2 1083 1 "Not handling restraint 1083, item 1, resonance(s) 'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 757 2 1084 1 "Not handling restraint 1084, item 1, resonance(s) 'A.15.HA' (nmrStar names),'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 758 2 1085 1 "Not handling restraint 1085, item 1, resonance(s) 'B.17.HB' (nmrStar names) not linked" rr_1kqe 1 759 2 1086 1 "Not handling restraint 1086, item 1, resonance(s) 'A.17.HB' (nmrStar names) not linked" rr_1kqe 1 760 2 1087 1 "Not handling restraint 1087, item 1, resonance(s) 'A.17.HB' (nmrStar names),'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 761 2 1088 1 "Not handling restraint 1088, item 1, resonance(s) 'A.17.HG1*' (nmrStar names),'A.17.HB' (nmrStar names) not linked" rr_1kqe 1 762 2 1089 1 "Not handling restraint 1089, item 1, resonance(s) 'A.17.HB' (nmrStar names),'A.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 763 2 1090 1 "Not handling restraint 1090, item 1, resonance(s) 'A.17.HB' (nmrStar names),'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 764 2 1091 1 "Not handling restraint 1091, item 1, resonance(s) 'A.15.HA' (nmrStar names),'B.17.HB' (nmrStar names) not linked" rr_1kqe 1 765 2 1092 1 "Not handling restraint 1092, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 766 2 1092 1 "Not handling restraint 1092, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 767 2 1093 1 "Not handling restraint 1093, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 768 2 1094 1 "Not handling restraint 1094, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 769 2 1095 1 "Not handling restraint 1095, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 770 2 1096 1 "Not handling restraint 1096, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 771 2 1097 1 "Not handling restraint 1097, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 772 2 1098 1 "Not handling restraint 1098, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 773 2 1099 1 "Not handling restraint 1099, item 1, resonance(s) 'A.17.HG1*' (nmrStar names),'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 774 2 1100 1 "Not handling restraint 1100, item 1, resonance(s) 'A.17.HG1*' (nmrStar names),'A.17.HB' (nmrStar names) not linked" rr_1kqe 1 775 2 1101 1 "Not handling restraint 1101, item 1, resonance(s) 'A.17.HG1*' (nmrStar names),'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 776 2 1102 1 "Not handling restraint 1102, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 777 2 1103 1 "Not handling restraint 1103, item 1, resonance(s) 'B.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 778 2 1103 1 "Not handling restraint 1103, item 1, resonance(s) 'B.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 779 2 1104 1 "Not handling restraint 1104, item 1, resonance(s) 'A.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 780 2 1105 1 "Not handling restraint 1105, item 1, resonance(s) 'A.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 781 2 1106 1 "Not handling restraint 1106, item 1, resonance(s) 'A.17.HA' (nmrStar names),'A.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 782 2 1107 1 "Not handling restraint 1107, item 1, resonance(s) 'A.17.HB' (nmrStar names),'A.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 783 2 1108 1 "Not handling restraint 1108, item 1, resonance(s) 'A.17.HG2*' (nmrStar names),'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 784 2 1109 1 "Not handling restraint 1109, item 1, resonance(s) 'A.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 785 2 1110 1 "Not handling restraint 1110, item 1, resonance(s) 'A.15.HA' (nmrStar names),'B.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 786 2 1111 1 "Not handling restraint 1111, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 787 2 1112 1 "Not handling restraint 1112, item 1, resonance(s) 'A.17.HA' (nmrStar names),'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 788 2 1113 1 "Not handling restraint 1113, item 1, resonance(s) 'A.17.HB' (nmrStar names),'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 789 2 1114 1 "Not handling restraint 1114, item 1, resonance(s) 'A.17.HG1*' (nmrStar names),'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 790 2 1115 1 "Not handling restraint 1115, item 1, resonance(s) 'A.17.HG2*' (nmrStar names),'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 791 2 1116 1 "Not handling restraint 1116, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 792 2 1117 1 "Not handling restraint 1117, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 793 2 1118 1 "Not handling restraint 1118, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 794 2 1119 1 "Not handling restraint 1119, item 1, resonance(s) 'A.15.HA' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 795 2 1120 1 "Not handling restraint 1120, item 1, resonance(s) 'A.15.HB' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 796 2 1121 1 "Not handling restraint 1121, item 1, resonance(s) 'B.17.HN' (nmrStar names),'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 797 2 1122 1 "Not handling restraint 1122, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 798 2 1123 1 "Not handling restraint 1123, item 1, resonance(s) 'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 799 2 1124 1 "Not handling restraint 1124, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 800 2 1129 1 "Not handling restraint 1129, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 801 2 1130 1 "Not handling restraint 1130, item 1, resonance(s) 'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 802 2 1131 1 "Not handling restraint 1131, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 803 2 1137 1 "Not handling restraint 1137, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 804 2 1142 1 "Not handling restraint 1142, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 805 2 1152 1 "Not handling restraint 1152, item 1, resonance(s) 'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 806 2 1153 1 "Not handling restraint 1153, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 807 2 1157 1 "Not handling restraint 1157, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 808 2 1164 1 "Not handling restraint 1164, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 809 2 1165 1 "Not handling restraint 1165, item 1, resonance(s) 'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 810 2 1166 1 "Not handling restraint 1166, item 1, resonance(s) 'A.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 811 2 1167 1 "Not handling restraint 1167, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 812 2 1168 1 "Not handling restraint 1168, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 813 2 1169 1 "Not handling restraint 1169, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 814 2 1170 1 "Not handling restraint 1170, item 1, resonance(s) 'A.15.HA' (nmrStar names),'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 815 2 1171 1 "Not handling restraint 1171, item 1, resonance(s) 'A.17.HB' (nmrStar names),'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 816 2 1172 1 "Not handling restraint 1172, item 1, resonance(s) 'A.15.HA' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 817 2 1173 1 "Not handling restraint 1173, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 818 2 1174 1 "Not handling restraint 1174, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 819 2 1175 1 "Not handling restraint 1175, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 820 2 1176 1 "Not handling restraint 1176, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 821 2 1177 1 "Not handling restraint 1177, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 822 2 1178 1 "Not handling restraint 1178, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 823 2 1179 1 "Not handling restraint 1179, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 824 2 1180 1 "Not handling restraint 1180, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 825 2 1181 1 "Not handling restraint 1181, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 826 2 1182 1 "Not handling restraint 1182, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 827 2 1183 1 "Not handling restraint 1183, item 1, resonance(s) 'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 828 2 1184 1 "Not handling restraint 1184, item 1, resonance(s) 'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 829 2 1185 1 "Not handling restraint 1185, item 1, resonance(s) 'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 830 2 1186 1 "Not handling restraint 1186, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 831 2 1187 1 "Not handling restraint 1187, item 1, resonance(s) 'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 832 2 1188 1 "Not handling restraint 1188, item 1, resonance(s) 'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 833 2 1189 1 "Not handling restraint 1189, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 834 2 1190 1 "Not handling restraint 1190, item 1, resonance(s) 'A.15.HB' (nmrStar names),'A.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 835 2 1191 1 "Not handling restraint 1191, item 1, resonance(s) 'A.15.HB' (nmrStar names),'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 836 2 1192 1 "Not handling restraint 1192, item 1, resonance(s) 'A.15.HB' (nmrStar names),'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 837 2 1193 1 "Not handling restraint 1193, item 1, resonance(s) 'B.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 838 2 1194 1 "Not handling restraint 1194, item 1, resonance(s) 'B.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 839 2 1195 1 "Not handling restraint 1195, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 840 2 1196 1 "Not handling restraint 1196, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 841 2 1197 1 "Not handling restraint 1197, item 1, resonance(s) 'A.15.HB' (nmrStar names),'A.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 842 2 1198 1 "Not handling restraint 1198, item 1, resonance(s) 'A.15.HG1*' (nmrStar names),'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 843 2 1199 1 "Not handling restraint 1199, item 1, resonance(s) 'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 844 2 1200 1 "Not handling restraint 1200, item 1, resonance(s) 'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 845 2 1201 1 "Not handling restraint 1201, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 846 2 1202 1 "Not handling restraint 1202, item 1, resonance(s) 'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 847 2 1203 1 "Not handling restraint 1203, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 848 2 1204 1 "Not handling restraint 1204, item 1, resonance(s) 'A.15.HB' (nmrStar names),'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 849 2 1205 1 "Not handling restraint 1205, item 1, resonance(s) 'A.15.HG2*' (nmrStar names),'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 850 2 1206 1 "Not handling restraint 1206, item 1, resonance(s) 'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 851 2 1207 1 "Not handling restraint 1207, item 1, resonance(s) 'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 852 2 1208 1 "Not handling restraint 1208, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 853 2 1209 1 "Not handling restraint 1209, item 1, resonance(s) 'A.15.HA' (nmrStar names),'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 854 2 1210 1 "Not handling restraint 1210, item 1, resonance(s) 'A.15.HB' (nmrStar names),'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 855 2 1211 1 "Not handling restraint 1211, item 1, resonance(s) 'A.15.HG1*' (nmrStar names),'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 856 2 1212 1 "Not handling restraint 1212, item 1, resonance(s) 'A.15.HG2*' (nmrStar names),'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 857 2 1213 1 "Not handling restraint 1213, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 858 2 1214 1 "Not handling restraint 1214, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 859 2 1215 1 "Not handling restraint 1215, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 860 2 1216 1 "Not handling restraint 1216, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 861 2 1217 1 "Not handling restraint 1217, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 862 2 1218 1 "Not handling restraint 1218, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 863 2 1219 1 "Not handling restraint 1219, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 864 2 1220 1 "Not handling restraint 1220, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 865 2 1225 1 "Not handling restraint 1225, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 866 2 1229 1 "Not handling restraint 1229, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 867 2 1230 1 "Not handling restraint 1230, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 868 2 1236 1 "Not handling restraint 1236, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 869 2 1241 1 "Not handling restraint 1241, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 870 2 1246 1 "Not handling restraint 1246, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 871 2 1251 1 "Not handling restraint 1251, item 1, resonance(s) 'B.1.H21' (nmrStar names),'B.1.H11' (nmrStar names) not linked" rr_1kqe 1 872 2 1252 1 "Not handling restraint 1252, item 1, resonance(s) 'B.1.HN' (nmrStar names),'B.1.H11' (nmrStar names) not linked" rr_1kqe 1 873 2 1253 1 "Not handling restraint 1253, item 1, resonance(s) 'B.1.H12' (nmrStar names),'B.1.H21' (nmrStar names) not linked" rr_1kqe 1 874 2 1254 1 "Not handling restraint 1254, item 1, resonance(s) 'B.1.H12' (nmrStar names),'B.1.H22' (nmrStar names) not linked" rr_1kqe 1 875 2 1255 1 "Not handling restraint 1255, item 1, resonance(s) 'B.1.H12' (nmrStar names),'B.1.HN' (nmrStar names) not linked" rr_1kqe 1 876 2 1256 1 "Not handling restraint 1256, item 1, resonance(s) 'A.1.H12' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 877 2 1257 1 "Not handling restraint 1257, item 1, resonance(s) 'B.1.H21' (nmrStar names),'B.1.H11' (nmrStar names) not linked" rr_1kqe 1 878 2 1258 1 "Not handling restraint 1258, item 1, resonance(s) 'B.1.H12' (nmrStar names),'B.1.H21' (nmrStar names) not linked" rr_1kqe 1 879 2 1259 1 "Not handling restraint 1259, item 1, resonance(s) 'B.1.H12' (nmrStar names),'B.1.H22' (nmrStar names) not linked" rr_1kqe 1 880 2 1260 1 "Not handling restraint 1260, item 1, resonance(s) 'B.1.H21' (nmrStar names),'B.1.HN' (nmrStar names) not linked" rr_1kqe 1 881 2 1261 1 "Not handling restraint 1261, item 1, resonance(s) 'B.1.H21' (nmrStar names) not linked" rr_1kqe 1 882 2 1262 1 "Not handling restraint 1262, item 1, resonance(s) 'A.1.H21' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 883 2 1263 1 "Not handling restraint 1263, item 1, resonance(s) 'B.1.HN' (nmrStar names),'B.1.H11' (nmrStar names) not linked" rr_1kqe 1 884 2 1264 1 "Not handling restraint 1264, item 1, resonance(s) 'B.1.H12' (nmrStar names),'B.1.HN' (nmrStar names) not linked" rr_1kqe 1 885 2 1265 1 "Not handling restraint 1265, item 1, resonance(s) 'B.1.HN' (nmrStar names),'B.1.H22' (nmrStar names) not linked" rr_1kqe 1 886 2 1266 1 "Not handling restraint 1266, item 1, resonance(s) 'B.1.H21' (nmrStar names),'B.1.HN' (nmrStar names) not linked" rr_1kqe 1 887 2 1267 1 "Not handling restraint 1267, item 1, resonance(s) 'B.1.HN' (nmrStar names) not linked" rr_1kqe 1 888 2 1268 1 "Not handling restraint 1268, item 1, resonance(s) 'A.1.HN' (nmrStar names),'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 889 2 1269 1 "Not handling restraint 1269, item 1, resonance(s) 'A.1.HN' (nmrStar names) not linked" rr_1kqe 1 890 2 1270 1 "Not handling restraint 1270, item 1, resonance(s) 'B.1.H21' (nmrStar names) not linked" rr_1kqe 1 891 2 1271 1 "Not handling restraint 1271, item 1, resonance(s) 'B.1.HN' (nmrStar names) not linked" rr_1kqe 1 892 2 1276 1 "Not handling restraint 1276, item 1, resonance(s) 'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 893 2 1277 1 "Not handling restraint 1277, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 894 2 1289 1 "Not handling restraint 1289, item 1, resonance(s) 'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 895 2 1297 1 "Not handling restraint 1297, item 1, resonance(s) 'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 896 2 1298 1 "Not handling restraint 1298, item 1, resonance(s) 'B.5.HB1' (nmrStar names) not linked" rr_1kqe 1 897 2 1299 1 "Not handling restraint 1299, item 1, resonance(s) 'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 898 2 1300 1 "Not handling restraint 1300, item 1, resonance(s) 'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 899 2 1301 1 "Not handling restraint 1301, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 900 2 1305 1 "Not handling restraint 1305, item 1, resonance(s) 'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 901 2 1306 1 "Not handling restraint 1306, item 1, resonance(s) 'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 902 2 1307 1 "Not handling restraint 1307, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 903 2 1310 1 "Not handling restraint 1310, item 1, resonance(s) 'A.1.H12' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 904 2 1311 1 "Not handling restraint 1311, item 1, resonance(s) 'A.1.H21' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 905 2 1312 1 "Not handling restraint 1312, item 1, resonance(s) 'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 906 2 1313 1 "Not handling restraint 1313, item 1, resonance(s) 'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 907 2 1314 1 "Not handling restraint 1314, item 1, resonance(s) 'B.3.HB1' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 908 2 1315 1 "Not handling restraint 1315, item 1, resonance(s) 'B.3.HA' (nmrStar names),'B.3.HB2' (nmrStar names) not linked" rr_1kqe 1 909 2 1316 1 "Not handling restraint 1316, item 1, resonance(s) 'B.3.HD1*' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 910 2 1317 1 "Not handling restraint 1317, item 1, resonance(s) 'B.3.HD2*' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 911 2 1318 1 "Not handling restraint 1318, item 1, resonance(s) 'B.3.HG' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 912 2 1319 1 "Not handling restraint 1319, item 1, resonance(s) 'B.3.HN' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 913 2 1320 1 "Not handling restraint 1320, item 1, resonance(s) 'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 914 2 1321 1 "Not handling restraint 1321, item 1, resonance(s) 'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 915 2 1322 1 "Not handling restraint 1322, item 1, resonance(s) 'B.1.H12' (nmrStar names),'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 916 2 1323 1 "Not handling restraint 1323, item 1, resonance(s) 'B.3.HB1' (nmrStar names) not linked" rr_1kqe 1 917 2 1324 1 "Not handling restraint 1324, item 1, resonance(s) 'B.3.HB1' (nmrStar names) not linked" rr_1kqe 1 918 2 1325 1 "Not handling restraint 1325, item 1, resonance(s) 'B.3.HB1' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 919 2 1326 1 "Not handling restraint 1326, item 1, resonance(s) 'B.3.HB1' (nmrStar names),'B.3.HG' (nmrStar names) not linked" rr_1kqe 1 920 2 1327 1 "Not handling restraint 1327, item 1, resonance(s) 'B.3.HB1' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 921 2 1328 1 "Not handling restraint 1328, item 1, resonance(s) 'B.3.HB1' (nmrStar names) not linked" rr_1kqe 1 922 2 1329 1 "Not handling restraint 1329, item 1, resonance(s) 'A.3.HB1' (nmrStar names),'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 923 2 1330 1 "Not handling restraint 1330, item 1, resonance(s) 'A.3.HB1' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 924 2 1331 1 "Not handling restraint 1331, item 1, resonance(s) 'A.3.HB1' (nmrStar names) not linked" rr_1kqe 1 925 2 1332 1 "Not handling restraint 1332, item 1, resonance(s) 'B.3.HB2' (nmrStar names) not linked" rr_1kqe 1 926 2 1333 1 "Not handling restraint 1333, item 1, resonance(s) 'B.3.HA' (nmrStar names),'B.3.HB2' (nmrStar names) not linked" rr_1kqe 1 927 2 1334 1 "Not handling restraint 1334, item 1, resonance(s) 'B.3.HN' (nmrStar names),'B.3.HB2' (nmrStar names) not linked" rr_1kqe 1 928 2 1335 1 "Not handling restraint 1335, item 1, resonance(s) 'B.1.H12' (nmrStar names),'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 929 2 1336 1 "Not handling restraint 1336, item 1, resonance(s) 'B.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 930 2 1337 1 "Not handling restraint 1337, item 1, resonance(s) 'B.3.HD1*' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 931 2 1338 1 "Not handling restraint 1338, item 1, resonance(s) 'B.3.HB1' (nmrStar names),'B.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 932 2 1339 1 "Not handling restraint 1339, item 1, resonance(s) 'B.3.HD1*' (nmrStar names),'B.3.HG' (nmrStar names) not linked" rr_1kqe 1 933 2 1340 1 "Not handling restraint 1340, item 1, resonance(s) 'B.3.HD1*' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 934 2 1341 1 "Not handling restraint 1341, item 1, resonance(s) 'A.3.HD1*' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 935 2 1342 1 "Not handling restraint 1342, item 1, resonance(s) 'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 936 2 1343 1 "Not handling restraint 1343, item 1, resonance(s) 'A.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 937 2 1344 1 "Not handling restraint 1344, item 1, resonance(s) 'B.1.H12' (nmrStar names),'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 938 2 1345 1 "Not handling restraint 1345, item 1, resonance(s) 'B.1.H21' (nmrStar names),'A.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 939 2 1346 1 "Not handling restraint 1346, item 1, resonance(s) 'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 940 2 1347 1 "Not handling restraint 1347, item 1, resonance(s) 'B.3.HD2*' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 941 2 1348 1 "Not handling restraint 1348, item 1, resonance(s) 'B.3.HB1' (nmrStar names),'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 942 2 1349 1 "Not handling restraint 1349, item 1, resonance(s) 'B.3.HD2*' (nmrStar names),'B.3.HG' (nmrStar names) not linked" rr_1kqe 1 943 2 1350 1 "Not handling restraint 1350, item 1, resonance(s) 'B.3.HD2*' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 944 2 1351 1 "Not handling restraint 1351, item 1, resonance(s) 'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 945 2 1352 1 "Not handling restraint 1352, item 1, resonance(s) 'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 946 2 1353 1 "Not handling restraint 1353, item 1, resonance(s) 'B.3.HG' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 947 2 1354 1 "Not handling restraint 1354, item 1, resonance(s) 'B.3.HD2*' (nmrStar names),'B.3.HG' (nmrStar names) not linked" rr_1kqe 1 948 2 1355 1 "Not handling restraint 1355, item 1, resonance(s) 'B.3.HG' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 949 2 1356 1 "Not handling restraint 1356, item 1, resonance(s) 'B.3.HG' (nmrStar names) not linked" rr_1kqe 1 950 2 1357 1 "Not handling restraint 1357, item 1, resonance(s) 'A.3.HG' (nmrStar names) not linked" rr_1kqe 1 951 2 1358 1 "Not handling restraint 1358, item 1, resonance(s) 'A.1.H12' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 952 2 1359 1 "Not handling restraint 1359, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 953 2 1360 1 "Not handling restraint 1360, item 1, resonance(s) 'B.3.HN' (nmrStar names),'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 954 2 1361 1 "Not handling restraint 1361, item 1, resonance(s) 'B.3.HB1' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 955 2 1362 1 "Not handling restraint 1362, item 1, resonance(s) 'B.3.HN' (nmrStar names),'B.3.HB2' (nmrStar names) not linked" rr_1kqe 1 956 2 1363 1 "Not handling restraint 1363, item 1, resonance(s) 'B.3.HD1*' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 957 2 1364 1 "Not handling restraint 1364, item 1, resonance(s) 'B.3.HD2*' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 958 2 1365 1 "Not handling restraint 1365, item 1, resonance(s) 'B.3.HG' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 959 2 1366 1 "Not handling restraint 1366, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 960 2 1367 1 "Not handling restraint 1367, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 961 2 1368 1 "Not handling restraint 1368, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 962 2 1369 1 "Not handling restraint 1369, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 963 2 1370 1 "Not handling restraint 1370, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 964 2 1371 1 "Not handling restraint 1371, item 1, resonance(s) 'A.3.HN' (nmrStar names),'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 965 2 1372 1 "Not handling restraint 1372, item 1, resonance(s) 'A.3.HN' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 966 2 1373 1 "Not handling restraint 1373, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 967 2 1374 1 "Not handling restraint 1374, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 1 968 2 1375 1 "Not handling restraint 1375, item 1, resonance(s) 'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 969 2 1376 1 "Not handling restraint 1376, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 970 2 1381 1 "Not handling restraint 1381, item 1, resonance(s) 'B.1.HN' (nmrStar names) not linked" rr_1kqe 1 971 2 1384 1 "Not handling restraint 1384, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 972 2 1392 1 "Not handling restraint 1392, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 973 2 1400 1 "Not handling restraint 1400, item 1, resonance(s) 'B.3.HA' (nmrStar names) not linked" rr_1kqe 1 974 2 1401 1 "Not handling restraint 1401, item 1, resonance(s) 'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 975 2 1407 1 "Not handling restraint 1407, item 1, resonance(s) 'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 976 2 1408 1 "Not handling restraint 1408, item 1, resonance(s) 'B.3.HG' (nmrStar names) not linked" rr_1kqe 1 977 2 1411 1 "Not handling restraint 1411, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 978 2 1417 1 "Not handling restraint 1417, item 1, resonance(s) 'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 979 2 1418 1 "Not handling restraint 1418, item 1, resonance(s) 'B.7.HB1' (nmrStar names) not linked" rr_1kqe 1 980 2 1419 1 "Not handling restraint 1419, item 1, resonance(s) 'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 981 2 1420 1 "Not handling restraint 1420, item 1, resonance(s) 'B.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 982 2 1421 1 "Not handling restraint 1421, item 1, resonance(s) 'B.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 983 2 1422 1 "Not handling restraint 1422, item 1, resonance(s) 'A.1.HN' (nmrStar names) not linked" rr_1kqe 1 984 2 1425 1 "Not handling restraint 1425, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 985 2 1429 1 "Not handling restraint 1429, item 1, resonance(s) 'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 986 2 1430 1 "Not handling restraint 1430, item 1, resonance(s) 'B.5.HB1' (nmrStar names) not linked" rr_1kqe 1 987 2 1431 1 "Not handling restraint 1431, item 1, resonance(s) 'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 988 2 1432 1 "Not handling restraint 1432, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 989 2 1433 1 "Not handling restraint 1433, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 990 2 1437 1 "Not handling restraint 1437, item 1, resonance(s) 'A.5.HA' (nmrStar names),'B.3.HB1' (nmrStar names) not linked" rr_1kqe 1 991 2 1438 1 "Not handling restraint 1438, item 1, resonance(s) 'A.3.HN' (nmrStar names),'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 992 2 1439 1 "Not handling restraint 1439, item 1, resonance(s) 'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 993 2 1440 1 "Not handling restraint 1440, item 1, resonance(s) 'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 994 2 1441 1 "Not handling restraint 1441, item 1, resonance(s) 'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 995 2 1442 1 "Not handling restraint 1442, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HB1' (nmrStar names) not linked" rr_1kqe 1 996 2 1443 1 "Not handling restraint 1443, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 997 2 1444 1 "Not handling restraint 1444, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 998 2 1445 1 "Not handling restraint 1445, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 999 2 1446 1 "Not handling restraint 1446, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1000 2 1447 1 "Not handling restraint 1447, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1001 2 1448 1 "Not handling restraint 1448, item 1, resonance(s) 'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 1002 2 1449 1 "Not handling restraint 1449, item 1, resonance(s) 'B.5.HB1' (nmrStar names) not linked" rr_1kqe 1 1003 2 1450 1 "Not handling restraint 1450, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HB1' (nmrStar names) not linked" rr_1kqe 1 1004 2 1451 1 "Not handling restraint 1451, item 1, resonance(s) 'B.5.HB1' (nmrStar names),'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 1005 2 1452 1 "Not handling restraint 1452, item 1, resonance(s) 'B.5.HB1' (nmrStar names),'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1006 2 1453 1 "Not handling restraint 1453, item 1, resonance(s) 'B.5.HB1' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1007 2 1454 1 "Not handling restraint 1454, item 1, resonance(s) 'B.5.HB1' (nmrStar names),'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1008 2 1455 1 "Not handling restraint 1455, item 1, resonance(s) 'B.5.HB1' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1009 2 1456 1 "Not handling restraint 1456, item 1, resonance(s) 'A.5.HB1' (nmrStar names) not linked" rr_1kqe 1 1010 2 1457 1 "Not handling restraint 1457, item 1, resonance(s) 'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 1011 2 1458 1 "Not handling restraint 1458, item 1, resonance(s) 'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 1012 2 1459 1 "Not handling restraint 1459, item 1, resonance(s) 'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 1013 2 1460 1 "Not handling restraint 1460, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 1014 2 1461 1 "Not handling restraint 1461, item 1, resonance(s) 'B.5.HB1' (nmrStar names),'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 1015 2 1462 1 "Not handling restraint 1462, item 1, resonance(s) 'B.5.HB2' (nmrStar names),'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1016 2 1463 1 "Not handling restraint 1463, item 1, resonance(s) 'B.5.HB2' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1017 2 1464 1 "Not handling restraint 1464, item 1, resonance(s) 'B.5.HB2' (nmrStar names),'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1018 2 1465 1 "Not handling restraint 1465, item 1, resonance(s) 'B.5.HB2' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1019 2 1466 1 "Not handling restraint 1466, item 1, resonance(s) 'A.5.HB2' (nmrStar names) not linked" rr_1kqe 1 1020 2 1467 1 "Not handling restraint 1467, item 1, resonance(s) 'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1021 2 1468 1 "Not handling restraint 1468, item 1, resonance(s) 'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1022 2 1469 1 "Not handling restraint 1469, item 1, resonance(s) 'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1023 2 1470 1 "Not handling restraint 1470, item 1, resonance(s) 'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1024 2 1471 1 "Not handling restraint 1471, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1025 2 1472 1 "Not handling restraint 1472, item 1, resonance(s) 'B.5.HB1' (nmrStar names),'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1026 2 1473 1 "Not handling restraint 1473, item 1, resonance(s) 'B.5.HB2' (nmrStar names),'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1027 2 1474 1 "Not handling restraint 1474, item 1, resonance(s) 'B.5.HD1*' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1028 2 1475 1 "Not handling restraint 1475, item 1, resonance(s) 'B.5.HD1*' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1029 2 1476 1 "Not handling restraint 1476, item 1, resonance(s) 'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1030 2 1477 1 "Not handling restraint 1477, item 1, resonance(s) 'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1031 2 1478 1 "Not handling restraint 1478, item 1, resonance(s) 'A.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1032 2 1479 1 "Not handling restraint 1479, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1033 2 1480 1 "Not handling restraint 1480, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1034 2 1481 1 "Not handling restraint 1481, item 1, resonance(s) 'A.5.HD2*' (nmrStar names),'B.3.HB1' (nmrStar names) not linked" rr_1kqe 1 1035 2 1482 1 "Not handling restraint 1482, item 1, resonance(s) 'A.5.HD2*' (nmrStar names),'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 1036 2 1483 1 "Not handling restraint 1483, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1037 2 1484 1 "Not handling restraint 1484, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1038 2 1485 1 "Not handling restraint 1485, item 1, resonance(s) 'B.5.HB1' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1039 2 1486 1 "Not handling restraint 1486, item 1, resonance(s) 'B.5.HB2' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1040 2 1487 1 "Not handling restraint 1487, item 1, resonance(s) 'B.5.HD1*' (nmrStar names),'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1041 2 1488 1 "Not handling restraint 1488, item 1, resonance(s) 'B.5.HD2*' (nmrStar names),'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1042 2 1489 1 "Not handling restraint 1489, item 1, resonance(s) 'B.5.HD2*' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1043 2 1490 1 "Not handling restraint 1490, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1044 2 1491 1 "Not handling restraint 1491, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1045 2 1491 1 "Not handling restraint 1491, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1046 2 1492 1 "Not handling restraint 1492, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1047 2 1493 1 "Not handling restraint 1493, item 1, resonance(s) 'A.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1048 2 1494 1 "Not handling restraint 1494, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1049 2 1495 1 "Not handling restraint 1495, item 1, resonance(s) 'B.5.HB1' (nmrStar names),'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1050 2 1496 1 "Not handling restraint 1496, item 1, resonance(s) 'B.5.HB2' (nmrStar names),'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1051 2 1497 1 "Not handling restraint 1497, item 1, resonance(s) 'B.5.HD2*' (nmrStar names),'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1052 2 1498 1 "Not handling restraint 1498, item 1, resonance(s) 'B.5.HN' (nmrStar names),'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1053 2 1499 1 "Not handling restraint 1499, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1054 2 1500 1 "Not handling restraint 1500, item 1, resonance(s) 'B.5.HA' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1055 2 1501 1 "Not handling restraint 1501, item 1, resonance(s) 'B.5.HB1' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1056 2 1502 1 "Not handling restraint 1502, item 1, resonance(s) 'B.5.HB2' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1057 2 1503 1 "Not handling restraint 1503, item 1, resonance(s) 'B.5.HD1*' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1058 2 1504 1 "Not handling restraint 1504, item 1, resonance(s) 'B.5.HD2*' (nmrStar names),'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1059 2 1505 1 "Not handling restraint 1505, item 1, resonance(s) 'B.5.HN' (nmrStar names),'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1060 2 1506 1 "Not handling restraint 1506, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1061 2 1507 1 "Not handling restraint 1507, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1062 2 1507 1 "Not handling restraint 1507, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1063 2 1508 1 "Not handling restraint 1508, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1064 2 1509 1 "Not handling restraint 1509, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1065 2 1510 1 "Not handling restraint 1510, item 1, resonance(s) 'A.5.HN' (nmrStar names),'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 1066 2 1511 1 "Not handling restraint 1511, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 1067 2 1512 1 "Not handling restraint 1512, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 1068 2 1513 1 "Not handling restraint 1513, item 1, resonance(s) 'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 1069 2 1514 1 "Not handling restraint 1514, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1070 2 1522 1 "Not handling restraint 1522, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 1071 2 1522 1 "Not handling restraint 1522, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 1072 2 1524 1 "Not handling restraint 1524, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1073 2 1524 1 "Not handling restraint 1524, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1074 2 1530 1 "Not handling restraint 1530, item 1, resonance(s) 'B.3.HB1' (nmrStar names) not linked" rr_1kqe 1 1075 2 1531 1 "Not handling restraint 1531, item 1, resonance(s) 'B.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 1076 2 1532 1 "Not handling restraint 1532, item 1, resonance(s) 'B.3.HD2*' (nmrStar names) not linked" rr_1kqe 1 1077 2 1533 1 "Not handling restraint 1533, item 1, resonance(s) 'B.3.HG' (nmrStar names) not linked" rr_1kqe 1 1078 2 1534 1 "Not handling restraint 1534, item 1, resonance(s) 'B.5.HA' (nmrStar names) not linked" rr_1kqe 1 1079 2 1535 1 "Not handling restraint 1535, item 1, resonance(s) 'B.5.HB1' (nmrStar names) not linked" rr_1kqe 1 1080 2 1536 1 "Not handling restraint 1536, item 1, resonance(s) 'B.5.HD1*' (nmrStar names) not linked" rr_1kqe 1 1081 2 1537 1 "Not handling restraint 1537, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1082 2 1538 1 "Not handling restraint 1538, item 1, resonance(s) 'B.5.HG' (nmrStar names) not linked" rr_1kqe 1 1083 2 1539 1 "Not handling restraint 1539, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1084 2 1547 1 "Not handling restraint 1547, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1085 2 1548 1 "Not handling restraint 1548, item 1, resonance(s) 'B.3.HD1*' (nmrStar names) not linked" rr_1kqe 1 1086 2 1549 1 "Not handling restraint 1549, item 1, resonance(s) 'B.5.HD2*' (nmrStar names) not linked" rr_1kqe 1 1087 2 1558 1 "Not handling restraint 1558, item 1, resonance(s) 'B.9.HB' (nmrStar names) not linked" rr_1kqe 1 1088 2 1559 1 "Not handling restraint 1559, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1089 2 1560 1 "Not handling restraint 1560, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 1 1090 2 1562 1 "Not handling restraint 1562, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1091 2 1566 1 "Not handling restraint 1566, item 1, resonance(s) 'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 1092 2 1567 1 "Not handling restraint 1567, item 1, resonance(s) 'B.7.HB1' (nmrStar names) not linked" rr_1kqe 1 1093 2 1568 1 "Not handling restraint 1568, item 1, resonance(s) 'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 1094 2 1569 1 "Not handling restraint 1569, item 1, resonance(s) 'B.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 1095 2 1570 1 "Not handling restraint 1570, item 1, resonance(s) 'B.7.HG' (nmrStar names) not linked" rr_1kqe 1 1096 2 1571 1 "Not handling restraint 1571, item 1, resonance(s) 'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1097 2 1573 1 "Not handling restraint 1573, item 1, resonance(s) 'A.7.HA' (nmrStar names) not linked" rr_1kqe 1 1098 2 1574 1 "Not handling restraint 1574, item 1, resonance(s) 'A.7.HA' (nmrStar names),'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 1099 2 1575 1 "Not handling restraint 1575, item 1, resonance(s) 'A.5.HN' (nmrStar names),'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 1100 2 1576 1 "Not handling restraint 1576, item 1, resonance(s) 'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 1101 2 1576 1 "Not handling restraint 1576, item 1, resonance(s) 'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 1102 2 1577 1 "Not handling restraint 1577, item 1, resonance(s) 'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 1103 2 1578 1 "Not handling restraint 1578, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HB1' (nmrStar names) not linked" rr_1kqe 1 1104 2 1579 1 "Not handling restraint 1579, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 1105 2 1580 1 "Not handling restraint 1580, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 1106 2 1581 1 "Not handling restraint 1581, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 1107 2 1582 1 "Not handling restraint 1582, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HG' (nmrStar names) not linked" rr_1kqe 1 1108 2 1583 1 "Not handling restraint 1583, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1109 2 1584 1 "Not handling restraint 1584, item 1, resonance(s) 'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 1110 2 1585 1 "Not handling restraint 1585, item 1, resonance(s) 'A.7.HB1' (nmrStar names) not linked" rr_1kqe 1 1111 2 1586 1 "Not handling restraint 1586, item 1, resonance(s) 'B.7.HB1' (nmrStar names) not linked" rr_1kqe 1 1112 2 1586 1 "Not handling restraint 1586, item 1, resonance(s) 'B.7.HB1' (nmrStar names) not linked" rr_1kqe 1 1113 2 1587 1 "Not handling restraint 1587, item 1, resonance(s) 'B.7.HB1' (nmrStar names) not linked" rr_1kqe 1 1114 2 1588 1 "Not handling restraint 1588, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HB1' (nmrStar names) not linked" rr_1kqe 1 1115 2 1589 1 "Not handling restraint 1589, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 1116 2 1590 1 "Not handling restraint 1590, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'B.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 1117 2 1591 1 "Not handling restraint 1591, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'B.7.HG' (nmrStar names) not linked" rr_1kqe 1 1118 2 1592 1 "Not handling restraint 1592, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1119 2 1593 1 "Not handling restraint 1593, item 1, resonance(s) 'A.7.HB1' (nmrStar names),'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1120 2 1594 1 "Not handling restraint 1594, item 1, resonance(s) 'A.7.HB2' (nmrStar names) not linked" rr_1kqe 1 1121 2 1595 1 "Not handling restraint 1595, item 1, resonance(s) 'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 1122 2 1595 1 "Not handling restraint 1595, item 1, resonance(s) 'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 1123 2 1596 1 "Not handling restraint 1596, item 1, resonance(s) 'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 1124 2 1597 1 "Not handling restraint 1597, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 1125 2 1598 1 "Not handling restraint 1598, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 1126 2 1599 1 "Not handling restraint 1599, item 1, resonance(s) 'B.7.HB2' (nmrStar names),'B.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 1127 2 1600 1 "Not handling restraint 1600, item 1, resonance(s) 'B.7.HB2' (nmrStar names),'B.7.HG' (nmrStar names) not linked" rr_1kqe 1 1128 2 1601 1 "Not handling restraint 1601, item 1, resonance(s) 'B.7.HB2' (nmrStar names),'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1129 2 1602 1 "Not handling restraint 1602, item 1, resonance(s) 'A.7.HB2' (nmrStar names),'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1130 2 1603 1 "Not handling restraint 1603, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 1131 2 1604 1 "Not handling restraint 1604, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'B.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 1132 2 1605 1 "Not handling restraint 1605, item 1, resonance(s) 'A.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 1133 2 1606 1 "Not handling restraint 1606, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 1134 2 1607 1 "Not handling restraint 1607, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'B.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 1135 2 1608 1 "Not handling restraint 1608, item 1, resonance(s) 'B.7.HB2' (nmrStar names),'B.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 1136 2 1609 1 "Not handling restraint 1609, item 1, resonance(s) 'B.7.HD2*' (nmrStar names),'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1137 2 1610 1 "Not handling restraint 1610, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HG' (nmrStar names) not linked" rr_1kqe 1 1138 2 1611 1 "Not handling restraint 1611, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'B.7.HG' (nmrStar names) not linked" rr_1kqe 1 1139 2 1612 1 "Not handling restraint 1612, item 1, resonance(s) 'B.7.HB2' (nmrStar names),'B.7.HG' (nmrStar names) not linked" rr_1kqe 1 1140 2 1613 1 "Not handling restraint 1613, item 1, resonance(s) 'B.7.HA' (nmrStar names),'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1141 2 1614 1 "Not handling restraint 1614, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1142 2 1615 1 "Not handling restraint 1615, item 1, resonance(s) 'B.7.HB2' (nmrStar names),'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1143 2 1616 1 "Not handling restraint 1616, item 1, resonance(s) 'B.7.HN' (nmrStar names),'B.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 1144 2 1617 1 "Not handling restraint 1617, item 1, resonance(s) 'B.7.HD2*' (nmrStar names),'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1145 2 1618 1 "Not handling restraint 1618, item 1, resonance(s) 'B.7.HN' (nmrStar names),'B.7.HG' (nmrStar names) not linked" rr_1kqe 1 1146 2 1619 1 "Not handling restraint 1619, item 1, resonance(s) 'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1147 2 1620 1 "Not handling restraint 1620, item 1, resonance(s) 'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1148 2 1621 1 "Not handling restraint 1621, item 1, resonance(s) 'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1149 2 1622 1 "Not handling restraint 1622, item 1, resonance(s) 'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1150 2 1623 1 "Not handling restraint 1623, item 1, resonance(s) 'A.7.HN' (nmrStar names),'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1151 2 1624 1 "Not handling restraint 1624, item 1, resonance(s) 'B.7.HB1' (nmrStar names) not linked" rr_1kqe 1 1152 2 1632 1 "Not handling restraint 1632, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1153 2 1633 1 "Not handling restraint 1633, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1154 2 1640 1 "Not handling restraint 1640, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1155 2 1648 1 "Not handling restraint 1648, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1156 2 1650 1 "Not handling restraint 1650, item 1, resonance(s) 'B.5.HB1' (nmrStar names) not linked" rr_1kqe 1 1157 2 1651 1 "Not handling restraint 1651, item 1, resonance(s) 'B.5.HB2' (nmrStar names) not linked" rr_1kqe 1 1158 2 1652 1 "Not handling restraint 1652, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 1 1159 2 1654 1 "Not handling restraint 1654, item 1, resonance(s) 'B.7.HA' (nmrStar names) not linked" rr_1kqe 1 1160 2 1655 1 "Not handling restraint 1655, item 1, resonance(s) 'B.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 1161 2 1661 1 "Not handling restraint 1661, item 1, resonance(s) 'B.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 1162 2 1662 1 "Not handling restraint 1662, item 1, resonance(s) 'B.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 1163 2 1664 1 "Not handling restraint 1664, item 1, resonance(s) 'B.7.HD1*' (nmrStar names) not linked" rr_1kqe 1 1164 2 1672 1 "Not handling restraint 1672, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1165 2 1673 1 "Not handling restraint 1673, item 1, resonance(s) 'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 1166 2 1674 1 "Not handling restraint 1674, item 1, resonance(s) 'B.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 1167 2 1675 1 "Not handling restraint 1675, item 1, resonance(s) 'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1168 2 1676 1 "Not handling restraint 1676, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 1 1169 2 1679 1 "Not handling restraint 1679, item 1, resonance(s) 'B.7.HG' (nmrStar names) not linked" rr_1kqe 1 1170 2 1680 1 "Not handling restraint 1680, item 1, resonance(s) 'B.7.HN' (nmrStar names) not linked" rr_1kqe 1 1171 2 1685 1 "Not handling restraint 1685, item 1, resonance(s) 'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1172 2 1686 1 "Not handling restraint 1686, item 1, resonance(s) 'B.9.HB' (nmrStar names) not linked" rr_1kqe 1 1173 2 1687 1 "Not handling restraint 1687, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1174 2 1688 1 "Not handling restraint 1688, item 1, resonance(s) 'B.7.HD2*' (nmrStar names) not linked" rr_1kqe 1 1175 2 1693 1 "Not handling restraint 1693, item 1, resonance(s) 'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 1176 2 1694 1 "Not handling restraint 1694, item 1, resonance(s) 'B.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 1177 2 1695 1 "Not handling restraint 1695, item 1, resonance(s) 'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1178 2 1696 1 "Not handling restraint 1696, item 1, resonance(s) 'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 1179 2 1696 1 "Not handling restraint 1696, item 1, resonance(s) 'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 1180 2 1697 1 "Not handling restraint 1697, item 1, resonance(s) 'B.7.HB1' (nmrStar names),'A.9.HA' (nmrStar names) not linked" rr_1kqe 1 1181 2 1698 1 "Not handling restraint 1698, item 1, resonance(s) 'A.9.HA' (nmrStar names),'B.7.HB2' (nmrStar names) not linked" rr_1kqe 1 1182 2 1699 1 "Not handling restraint 1699, item 1, resonance(s) 'A.7.HN' (nmrStar names),'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1183 2 1700 1 "Not handling restraint 1700, item 1, resonance(s) 'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1184 2 1701 1 "Not handling restraint 1701, item 1, resonance(s) 'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1185 2 1702 1 "Not handling restraint 1702, item 1, resonance(s) 'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1186 2 1703 1 "Not handling restraint 1703, item 1, resonance(s) 'B.9.HA' (nmrStar names),'B.9.HB' (nmrStar names) not linked" rr_1kqe 1 1187 2 1704 1 "Not handling restraint 1704, item 1, resonance(s) 'B.9.HA' (nmrStar names),'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1188 2 1705 1 "Not handling restraint 1705, item 1, resonance(s) 'B.9.HA' (nmrStar names),'B.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 1189 2 1706 1 "Not handling restraint 1706, item 1, resonance(s) 'B.9.HA' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1190 2 1707 1 "Not handling restraint 1707, item 1, resonance(s) 'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1191 2 1708 1 "Not handling restraint 1708, item 1, resonance(s) 'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1192 2 1709 1 "Not handling restraint 1709, item 1, resonance(s) 'A.9.HA' (nmrStar names),'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1193 2 1710 1 "Not handling restraint 1710, item 1, resonance(s) 'A.9.HB' (nmrStar names) not linked" rr_1kqe 1 1194 2 1711 1 "Not handling restraint 1711, item 1, resonance(s) 'B.9.HB' (nmrStar names) not linked" rr_1kqe 1 1195 2 1712 1 "Not handling restraint 1712, item 1, resonance(s) 'B.9.HA' (nmrStar names),'B.9.HB' (nmrStar names) not linked" rr_1kqe 1 1196 2 1713 1 "Not handling restraint 1713, item 1, resonance(s) 'B.9.HB' (nmrStar names),'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1197 2 1714 1 "Not handling restraint 1714, item 1, resonance(s) 'B.9.HB' (nmrStar names),'B.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 1198 2 1715 1 "Not handling restraint 1715, item 1, resonance(s) 'B.9.HB' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1199 2 1716 1 "Not handling restraint 1716, item 1, resonance(s) 'A.9.HB' (nmrStar names),'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1200 2 1717 1 "Not handling restraint 1717, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1201 2 1717 1 "Not handling restraint 1717, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1202 2 1718 1 "Not handling restraint 1718, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1203 2 1719 1 "Not handling restraint 1719, item 1, resonance(s) 'A.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1204 2 1720 1 "Not handling restraint 1720, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1205 2 1721 1 "Not handling restraint 1721, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1206 2 1722 1 "Not handling restraint 1722, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1207 2 1723 1 "Not handling restraint 1723, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1208 2 1724 1 "Not handling restraint 1724, item 1, resonance(s) 'B.9.HA' (nmrStar names),'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1209 2 1725 1 "Not handling restraint 1725, item 1, resonance(s) 'B.9.HB' (nmrStar names),'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1210 2 1726 1 "Not handling restraint 1726, item 1, resonance(s) 'B.9.HG1*' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1211 2 1727 1 "Not handling restraint 1727, item 1, resonance(s) 'B.9.HG1*' (nmrStar names) not linked" rr_1kqe 1 1212 2 1728 1 "Not handling restraint 1728, item 1, resonance(s) 'A.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 1213 2 1728 1 "Not handling restraint 1728, item 1, resonance(s) 'A.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 1214 2 1729 1 "Not handling restraint 1729, item 1, resonance(s) 'B.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 1215 2 1730 1 "Not handling restraint 1730, item 1, resonance(s) 'B.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 1216 2 1731 1 "Not handling restraint 1731, item 1, resonance(s) 'B.9.HA' (nmrStar names),'B.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 1217 2 1732 1 "Not handling restraint 1732, item 1, resonance(s) 'B.9.HB' (nmrStar names),'B.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 1218 2 1733 1 "Not handling restraint 1733, item 1, resonance(s) 'B.9.HG2*' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1219 2 1734 1 "Not handling restraint 1734, item 1, resonance(s) 'B.9.HG2*' (nmrStar names) not linked" rr_1kqe 1 1220 2 1735 1 "Not handling restraint 1735, item 1, resonance(s) 'A.9.HG2*' (nmrStar names),'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1221 2 1736 1 "Not handling restraint 1736, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1222 2 1737 1 "Not handling restraint 1737, item 1, resonance(s) 'B.9.HA' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1223 2 1738 1 "Not handling restraint 1738, item 1, resonance(s) 'B.9.HB' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1224 2 1739 1 "Not handling restraint 1739, item 1, resonance(s) 'B.9.HG1*' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1225 2 1740 1 "Not handling restraint 1740, item 1, resonance(s) 'B.9.HG2*' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1226 2 1741 1 "Not handling restraint 1741, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1227 2 1742 1 "Not handling restraint 1742, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1228 2 1743 1 "Not handling restraint 1743, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1229 2 1744 1 "Not handling restraint 1744, item 1, resonance(s) 'A.9.HN' (nmrStar names),'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1230 2 1745 1 "Not handling restraint 1745, item 1, resonance(s) 'A.9.HN' (nmrStar names),'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 1231 2 1746 1 "Not handling restraint 1746, item 1, resonance(s) 'A.9.HN' (nmrStar names),'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1232 2 1747 1 "Not handling restraint 1747, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 1 1233 2 1748 1 "Not handling restraint 1748, item 1, resonance(s) 'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1234 2 1749 1 "Not handling restraint 1749, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1235 2 1754 1 "Not handling restraint 1754, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1236 2 1755 1 "Not handling restraint 1755, item 1, resonance(s) 'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 1237 2 1756 1 "Not handling restraint 1756, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1238 2 1762 1 "Not handling restraint 1762, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1239 2 1767 1 "Not handling restraint 1767, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1240 2 1777 1 "Not handling restraint 1777, item 1, resonance(s) 'B.9.HA' (nmrStar names) not linked" rr_1kqe 1 1241 2 1778 1 "Not handling restraint 1778, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1242 2 1782 1 "Not handling restraint 1782, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1243 2 1789 1 "Not handling restraint 1789, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1244 2 1790 1 "Not handling restraint 1790, item 1, resonance(s) 'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 1245 2 1791 1 "Not handling restraint 1791, item 1, resonance(s) 'B.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 1246 2 1792 1 "Not handling restraint 1792, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1247 2 1793 1 "Not handling restraint 1793, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 1248 2 1794 1 "Not handling restraint 1794, item 1, resonance(s) 'A.11.HA' (nmrStar names) not linked" rr_1kqe 1 1249 2 1795 1 "Not handling restraint 1795, item 1, resonance(s) 'A.9.HA' (nmrStar names),'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1250 2 1796 1 "Not handling restraint 1796, item 1, resonance(s) 'A.11.HA' (nmrStar names),'B.9.HB' (nmrStar names) not linked" rr_1kqe 1 1251 2 1797 1 "Not handling restraint 1797, item 1, resonance(s) 'A.9.HN' (nmrStar names),'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1252 2 1798 1 "Not handling restraint 1798, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1253 2 1799 1 "Not handling restraint 1799, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1254 2 1800 1 "Not handling restraint 1800, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1255 2 1801 1 "Not handling restraint 1801, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1256 2 1802 1 "Not handling restraint 1802, item 1, resonance(s) 'B.11.HA' (nmrStar names),'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 1257 2 1803 1 "Not handling restraint 1803, item 1, resonance(s) 'B.11.HA' (nmrStar names),'B.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 1258 2 1804 1 "Not handling restraint 1804, item 1, resonance(s) 'B.11.HA' (nmrStar names),'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1259 2 1805 1 "Not handling restraint 1805, item 1, resonance(s) 'B.11.HA' (nmrStar names),'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1260 2 1806 1 "Not handling restraint 1806, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1261 2 1807 1 "Not handling restraint 1807, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1262 2 1808 1 "Not handling restraint 1808, item 1, resonance(s) 'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 1263 2 1809 1 "Not handling restraint 1809, item 1, resonance(s) 'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 1264 2 1810 1 "Not handling restraint 1810, item 1, resonance(s) 'A.11.HB' (nmrStar names) not linked" rr_1kqe 1 1265 2 1811 1 "Not handling restraint 1811, item 1, resonance(s) 'A.11.HB' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1266 2 1812 1 "Not handling restraint 1812, item 1, resonance(s) 'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 1267 2 1813 1 "Not handling restraint 1813, item 1, resonance(s) 'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 1268 2 1814 1 "Not handling restraint 1814, item 1, resonance(s) 'B.11.HA' (nmrStar names),'B.11.HB' (nmrStar names) not linked" rr_1kqe 1 1269 2 1815 1 "Not handling restraint 1815, item 1, resonance(s) 'B.11.HB' (nmrStar names),'B.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 1270 2 1816 1 "Not handling restraint 1816, item 1, resonance(s) 'B.11.HB' (nmrStar names),'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1271 2 1817 1 "Not handling restraint 1817, item 1, resonance(s) 'B.11.HB' (nmrStar names),'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1272 2 1818 1 "Not handling restraint 1818, item 1, resonance(s) 'A.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 1273 2 1819 1 "Not handling restraint 1819, item 1, resonance(s) 'A.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 1274 2 1820 1 "Not handling restraint 1820, item 1, resonance(s) 'A.11.HG1*' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1275 2 1821 1 "Not handling restraint 1821, item 1, resonance(s) 'B.11.HA' (nmrStar names),'B.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 1276 2 1822 1 "Not handling restraint 1822, item 1, resonance(s) 'B.11.HB' (nmrStar names),'B.11.HG1*' (nmrStar names) not linked" rr_1kqe 1 1277 2 1823 1 "Not handling restraint 1823, item 1, resonance(s) 'B.11.HG1*' (nmrStar names),'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1278 2 1824 1 "Not handling restraint 1824, item 1, resonance(s) 'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1279 2 1825 1 "Not handling restraint 1825, item 1, resonance(s) 'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1280 2 1826 1 "Not handling restraint 1826, item 1, resonance(s) 'A.11.HG2*' (nmrStar names),'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1281 2 1827 1 "Not handling restraint 1827, item 1, resonance(s) 'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1282 2 1828 1 "Not handling restraint 1828, item 1, resonance(s) 'B.11.HA' (nmrStar names),'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1283 2 1829 1 "Not handling restraint 1829, item 1, resonance(s) 'B.11.HB' (nmrStar names),'B.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1284 2 1830 1 "Not handling restraint 1830, item 1, resonance(s) 'B.11.HG2*' (nmrStar names),'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1285 2 1831 1 "Not handling restraint 1831, item 1, resonance(s) 'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1286 2 1832 1 "Not handling restraint 1832, item 1, resonance(s) 'A.11.HG2*' (nmrStar names) not linked" rr_1kqe 1 1287 2 1833 1 "Not handling restraint 1833, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1288 2 1834 1 "Not handling restraint 1834, item 1, resonance(s) 'B.11.HA' (nmrStar names),'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1289 2 1835 1 "Not handling restraint 1835, item 1, resonance(s) 'B.11.HB' (nmrStar names),'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1290 2 1836 1 "Not handling restraint 1836, item 1, resonance(s) 'B.11.HG1*' (nmrStar names),'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1291 2 1837 1 "Not handling restraint 1837, item 1, resonance(s) 'B.11.HG2*' (nmrStar names),'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1292 2 1838 1 "Not handling restraint 1838, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1293 2 1839 1 "Not handling restraint 1839, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1294 2 1840 1 "Not handling restraint 1840, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1295 2 1841 1 "Not handling restraint 1841, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 1296 2 1842 1 "Not handling restraint 1842, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 1297 2 1843 1 "Not handling restraint 1843, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1298 2 1844 1 "Not handling restraint 1844, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1299 2 1845 1 "Not handling restraint 1845, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1300 2 1850 1 "Not handling restraint 1850, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 1 1301 2 1854 1 "Not handling restraint 1854, item 1, resonance(s) 'B.11.HA' (nmrStar names) not linked" rr_1kqe 1 1302 2 1855 1 "Not handling restraint 1855, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1303 2 1861 1 "Not handling restraint 1861, item 1, resonance(s) 'B.11.HN' (nmrStar names) not linked" rr_1kqe 1 1304 2 1866 1 "Not handling restraint 1866, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 1305 2 1871 1 "Not handling restraint 1871, item 1, resonance(s) 'A.11.HN' (nmrStar names) not linked" rr_1kqe 1 1306 2 1876 1 "Not handling restraint 1876, item 1, resonance(s) 'B.25.H21' (nmrStar names),'B.25.H11' (nmrStar names) not linked" rr_1kqe 1 1307 2 1877 1 "Not handling restraint 1877, item 1, resonance(s) 'B.25.HN' (nmrStar names),'B.25.H11' (nmrStar names) not linked" rr_1kqe 1 1308 2 1878 1 "Not handling restraint 1878, item 1, resonance(s) 'B.25.H12' (nmrStar names),'B.25.H21' (nmrStar names) not linked" rr_1kqe 1 1309 2 1879 1 "Not handling restraint 1879, item 1, resonance(s) 'B.25.H12' (nmrStar names),'B.25.H22' (nmrStar names) not linked" rr_1kqe 1 1310 2 1880 1 "Not handling restraint 1880, item 1, resonance(s) 'B.25.H12' (nmrStar names),'B.25.HN' (nmrStar names) not linked" rr_1kqe 1 1311 2 1881 1 "Not handling restraint 1881, item 1, resonance(s) 'A.25.H12' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1312 2 1882 1 "Not handling restraint 1882, item 1, resonance(s) 'B.25.H21' (nmrStar names),'B.25.H11' (nmrStar names) not linked" rr_1kqe 1 1313 2 1883 1 "Not handling restraint 1883, item 1, resonance(s) 'B.25.H12' (nmrStar names),'B.25.H21' (nmrStar names) not linked" rr_1kqe 1 1314 2 1884 1 "Not handling restraint 1884, item 1, resonance(s) 'B.25.H12' (nmrStar names),'B.25.H22' (nmrStar names) not linked" rr_1kqe 1 1315 2 1885 1 "Not handling restraint 1885, item 1, resonance(s) 'B.25.H21' (nmrStar names),'B.25.HN' (nmrStar names) not linked" rr_1kqe 1 1316 2 1886 1 "Not handling restraint 1886, item 1, resonance(s) 'B.25.H21' (nmrStar names) not linked" rr_1kqe 1 1317 2 1887 1 "Not handling restraint 1887, item 1, resonance(s) 'A.25.H21' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1318 2 1888 1 "Not handling restraint 1888, item 1, resonance(s) 'B.25.HN' (nmrStar names),'B.25.H11' (nmrStar names) not linked" rr_1kqe 1 1319 2 1889 1 "Not handling restraint 1889, item 1, resonance(s) 'B.25.H12' (nmrStar names),'B.25.HN' (nmrStar names) not linked" rr_1kqe 1 1320 2 1890 1 "Not handling restraint 1890, item 1, resonance(s) 'B.25.HN' (nmrStar names),'B.25.H22' (nmrStar names) not linked" rr_1kqe 1 1321 2 1891 1 "Not handling restraint 1891, item 1, resonance(s) 'B.25.H21' (nmrStar names),'B.25.HN' (nmrStar names) not linked" rr_1kqe 1 1322 2 1892 1 "Not handling restraint 1892, item 1, resonance(s) 'B.25.HN' (nmrStar names) not linked" rr_1kqe 1 1323 2 1893 1 "Not handling restraint 1893, item 1, resonance(s) 'A.25.HN' (nmrStar names),'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1324 2 1894 1 "Not handling restraint 1894, item 1, resonance(s) 'A.25.HN' (nmrStar names) not linked" rr_1kqe 1 1325 2 1895 1 "Not handling restraint 1895, item 1, resonance(s) 'B.25.H21' (nmrStar names) not linked" rr_1kqe 1 1326 2 1896 1 "Not handling restraint 1896, item 1, resonance(s) 'B.25.HN' (nmrStar names) not linked" rr_1kqe 1 1327 2 1901 1 "Not handling restraint 1901, item 1, resonance(s) 'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1328 2 1902 1 "Not handling restraint 1902, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1329 2 1914 1 "Not handling restraint 1914, item 1, resonance(s) 'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1330 2 1922 1 "Not handling restraint 1922, item 1, resonance(s) 'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1331 2 1923 1 "Not handling restraint 1923, item 1, resonance(s) 'B.21.HB1' (nmrStar names) not linked" rr_1kqe 1 1332 2 1924 1 "Not handling restraint 1924, item 1, resonance(s) 'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1333 2 1925 1 "Not handling restraint 1925, item 1, resonance(s) 'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1334 2 1926 1 "Not handling restraint 1926, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1335 2 1930 1 "Not handling restraint 1930, item 1, resonance(s) 'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1336 2 1931 1 "Not handling restraint 1931, item 1, resonance(s) 'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1337 2 1932 1 "Not handling restraint 1932, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1338 2 1935 1 "Not handling restraint 1935, item 1, resonance(s) 'A.25.H12' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1339 2 1936 1 "Not handling restraint 1936, item 1, resonance(s) 'A.25.H21' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1340 2 1937 1 "Not handling restraint 1937, item 1, resonance(s) 'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1341 2 1938 1 "Not handling restraint 1938, item 1, resonance(s) 'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1342 2 1939 1 "Not handling restraint 1939, item 1, resonance(s) 'B.23.HB1' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1343 2 1940 1 "Not handling restraint 1940, item 1, resonance(s) 'B.23.HA' (nmrStar names),'B.23.HB2' (nmrStar names) not linked" rr_1kqe 1 1344 2 1941 1 "Not handling restraint 1941, item 1, resonance(s) 'B.23.HD1*' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1345 2 1942 1 "Not handling restraint 1942, item 1, resonance(s) 'B.23.HD2*' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1346 2 1943 1 "Not handling restraint 1943, item 1, resonance(s) 'B.23.HG' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1347 2 1944 1 "Not handling restraint 1944, item 1, resonance(s) 'B.23.HN' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1348 2 1945 1 "Not handling restraint 1945, item 1, resonance(s) 'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1349 2 1946 1 "Not handling restraint 1946, item 1, resonance(s) 'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1350 2 1947 1 "Not handling restraint 1947, item 1, resonance(s) 'B.25.H12' (nmrStar names),'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 1351 2 1948 1 "Not handling restraint 1948, item 1, resonance(s) 'B.23.HB1' (nmrStar names) not linked" rr_1kqe 1 1352 2 1949 1 "Not handling restraint 1949, item 1, resonance(s) 'B.23.HB1' (nmrStar names) not linked" rr_1kqe 1 1353 2 1950 1 "Not handling restraint 1950, item 1, resonance(s) 'B.23.HB1' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1354 2 1951 1 "Not handling restraint 1951, item 1, resonance(s) 'B.23.HB1' (nmrStar names),'B.23.HG' (nmrStar names) not linked" rr_1kqe 1 1355 2 1952 1 "Not handling restraint 1952, item 1, resonance(s) 'B.23.HB1' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1356 2 1953 1 "Not handling restraint 1953, item 1, resonance(s) 'B.23.HB1' (nmrStar names) not linked" rr_1kqe 1 1357 2 1954 1 "Not handling restraint 1954, item 1, resonance(s) 'A.23.HB1' (nmrStar names),'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1358 2 1955 1 "Not handling restraint 1955, item 1, resonance(s) 'A.23.HB1' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1359 2 1956 1 "Not handling restraint 1956, item 1, resonance(s) 'A.23.HB1' (nmrStar names) not linked" rr_1kqe 1 1360 2 1957 1 "Not handling restraint 1957, item 1, resonance(s) 'B.23.HB2' (nmrStar names) not linked" rr_1kqe 1 1361 2 1958 1 "Not handling restraint 1958, item 1, resonance(s) 'B.23.HA' (nmrStar names),'B.23.HB2' (nmrStar names) not linked" rr_1kqe 1 1362 2 1959 1 "Not handling restraint 1959, item 1, resonance(s) 'B.23.HN' (nmrStar names),'B.23.HB2' (nmrStar names) not linked" rr_1kqe 1 1363 2 1960 1 "Not handling restraint 1960, item 1, resonance(s) 'B.25.H12' (nmrStar names),'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 1364 2 1961 1 "Not handling restraint 1961, item 1, resonance(s) 'B.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 1365 2 1962 1 "Not handling restraint 1962, item 1, resonance(s) 'B.23.HD1*' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1366 2 1963 1 "Not handling restraint 1963, item 1, resonance(s) 'B.23.HB1' (nmrStar names),'B.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 1367 2 1964 1 "Not handling restraint 1964, item 1, resonance(s) 'B.23.HD1*' (nmrStar names),'B.23.HG' (nmrStar names) not linked" rr_1kqe 1 1368 2 1965 1 "Not handling restraint 1965, item 1, resonance(s) 'B.23.HD1*' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1369 2 1966 1 "Not handling restraint 1966, item 1, resonance(s) 'A.23.HD1*' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1370 2 1967 1 "Not handling restraint 1967, item 1, resonance(s) 'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 1371 2 1968 1 "Not handling restraint 1968, item 1, resonance(s) 'A.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 1372 2 1969 1 "Not handling restraint 1969, item 1, resonance(s) 'B.25.H12' (nmrStar names),'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1373 2 1970 1 "Not handling restraint 1970, item 1, resonance(s) 'B.25.H21' (nmrStar names),'A.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1374 2 1971 1 "Not handling restraint 1971, item 1, resonance(s) 'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1375 2 1972 1 "Not handling restraint 1972, item 1, resonance(s) 'B.23.HD2*' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1376 2 1973 1 "Not handling restraint 1973, item 1, resonance(s) 'B.23.HB1' (nmrStar names),'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1377 2 1974 1 "Not handling restraint 1974, item 1, resonance(s) 'B.23.HD2*' (nmrStar names),'B.23.HG' (nmrStar names) not linked" rr_1kqe 1 1378 2 1975 1 "Not handling restraint 1975, item 1, resonance(s) 'B.23.HD2*' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1379 2 1976 1 "Not handling restraint 1976, item 1, resonance(s) 'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1380 2 1977 1 "Not handling restraint 1977, item 1, resonance(s) 'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1381 2 1978 1 "Not handling restraint 1978, item 1, resonance(s) 'B.23.HG' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1382 2 1979 1 "Not handling restraint 1979, item 1, resonance(s) 'B.23.HD2*' (nmrStar names),'B.23.HG' (nmrStar names) not linked" rr_1kqe 1 1383 2 1980 1 "Not handling restraint 1980, item 1, resonance(s) 'B.23.HG' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1384 2 1981 1 "Not handling restraint 1981, item 1, resonance(s) 'B.23.HG' (nmrStar names) not linked" rr_1kqe 1 1385 2 1982 1 "Not handling restraint 1982, item 1, resonance(s) 'A.23.HG' (nmrStar names) not linked" rr_1kqe 1 1386 2 1983 1 "Not handling restraint 1983, item 1, resonance(s) 'A.25.H12' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1387 2 1984 1 "Not handling restraint 1984, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1388 2 1985 1 "Not handling restraint 1985, item 1, resonance(s) 'B.23.HN' (nmrStar names),'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1389 2 1986 1 "Not handling restraint 1986, item 1, resonance(s) 'B.23.HB1' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1390 2 1987 1 "Not handling restraint 1987, item 1, resonance(s) 'B.23.HN' (nmrStar names),'B.23.HB2' (nmrStar names) not linked" rr_1kqe 1 1391 2 1988 1 "Not handling restraint 1988, item 1, resonance(s) 'B.23.HD1*' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1392 2 1989 1 "Not handling restraint 1989, item 1, resonance(s) 'B.23.HD2*' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1393 2 1990 1 "Not handling restraint 1990, item 1, resonance(s) 'B.23.HG' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1394 2 1991 1 "Not handling restraint 1991, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1395 2 1992 1 "Not handling restraint 1992, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1396 2 1993 1 "Not handling restraint 1993, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1397 2 1994 1 "Not handling restraint 1994, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1398 2 1995 1 "Not handling restraint 1995, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1399 2 1996 1 "Not handling restraint 1996, item 1, resonance(s) 'A.23.HN' (nmrStar names),'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1400 2 1997 1 "Not handling restraint 1997, item 1, resonance(s) 'A.23.HN' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1401 2 1998 1 "Not handling restraint 1998, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 1402 2 1999 1 "Not handling restraint 1999, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 1 1403 2 2000 1 "Not handling restraint 2000, item 1, resonance(s) 'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1404 2 2001 1 "Not handling restraint 2001, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1405 2 2006 1 "Not handling restraint 2006, item 1, resonance(s) 'B.25.HN' (nmrStar names) not linked" rr_1kqe 1 1406 2 2009 1 "Not handling restraint 2009, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1407 2 2017 1 "Not handling restraint 2017, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1408 2 2025 1 "Not handling restraint 2025, item 1, resonance(s) 'B.23.HA' (nmrStar names) not linked" rr_1kqe 1 1409 2 2026 1 "Not handling restraint 2026, item 1, resonance(s) 'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1410 2 2032 1 "Not handling restraint 2032, item 1, resonance(s) 'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1411 2 2033 1 "Not handling restraint 2033, item 1, resonance(s) 'B.23.HG' (nmrStar names) not linked" rr_1kqe 1 1412 2 2036 1 "Not handling restraint 2036, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1413 2 2042 1 "Not handling restraint 2042, item 1, resonance(s) 'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 1414 2 2043 1 "Not handling restraint 2043, item 1, resonance(s) 'B.19.HB1' (nmrStar names) not linked" rr_1kqe 1 1415 2 2044 1 "Not handling restraint 2044, item 1, resonance(s) 'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1416 2 2045 1 "Not handling restraint 2045, item 1, resonance(s) 'B.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 1417 2 2046 1 "Not handling restraint 2046, item 1, resonance(s) 'B.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 1418 2 2047 1 "Not handling restraint 2047, item 1, resonance(s) 'A.25.HN' (nmrStar names) not linked" rr_1kqe 1 1419 2 2050 1 "Not handling restraint 2050, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1420 2 2054 1 "Not handling restraint 2054, item 1, resonance(s) 'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1421 2 2055 1 "Not handling restraint 2055, item 1, resonance(s) 'B.21.HB1' (nmrStar names) not linked" rr_1kqe 1 1422 2 2056 1 "Not handling restraint 2056, item 1, resonance(s) 'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1423 2 2057 1 "Not handling restraint 2057, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1424 2 2058 1 "Not handling restraint 2058, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1425 2 2062 1 "Not handling restraint 2062, item 1, resonance(s) 'A.21.HA' (nmrStar names),'B.23.HB1' (nmrStar names) not linked" rr_1kqe 1 1426 2 2063 1 "Not handling restraint 2063, item 1, resonance(s) 'A.23.HN' (nmrStar names),'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1427 2 2064 1 "Not handling restraint 2064, item 1, resonance(s) 'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1428 2 2065 1 "Not handling restraint 2065, item 1, resonance(s) 'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1429 2 2066 1 "Not handling restraint 2066, item 1, resonance(s) 'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1430 2 2067 1 "Not handling restraint 2067, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HB1' (nmrStar names) not linked" rr_1kqe 1 1431 2 2068 1 "Not handling restraint 2068, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1432 2 2069 1 "Not handling restraint 2069, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1433 2 2070 1 "Not handling restraint 2070, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1434 2 2071 1 "Not handling restraint 2071, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1435 2 2072 1 "Not handling restraint 2072, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1436 2 2073 1 "Not handling restraint 2073, item 1, resonance(s) 'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1437 2 2074 1 "Not handling restraint 2074, item 1, resonance(s) 'B.21.HB1' (nmrStar names) not linked" rr_1kqe 1 1438 2 2075 1 "Not handling restraint 2075, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HB1' (nmrStar names) not linked" rr_1kqe 1 1439 2 2076 1 "Not handling restraint 2076, item 1, resonance(s) 'B.21.HB1' (nmrStar names),'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1440 2 2077 1 "Not handling restraint 2077, item 1, resonance(s) 'B.21.HB1' (nmrStar names),'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1441 2 2078 1 "Not handling restraint 2078, item 1, resonance(s) 'B.21.HB1' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1442 2 2079 1 "Not handling restraint 2079, item 1, resonance(s) 'B.21.HB1' (nmrStar names),'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1443 2 2080 1 "Not handling restraint 2080, item 1, resonance(s) 'B.21.HB1' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1444 2 2081 1 "Not handling restraint 2081, item 1, resonance(s) 'A.21.HB1' (nmrStar names) not linked" rr_1kqe 1 1445 2 2082 1 "Not handling restraint 2082, item 1, resonance(s) 'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1446 2 2083 1 "Not handling restraint 2083, item 1, resonance(s) 'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1447 2 2084 1 "Not handling restraint 2084, item 1, resonance(s) 'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1448 2 2085 1 "Not handling restraint 2085, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1449 2 2086 1 "Not handling restraint 2086, item 1, resonance(s) 'B.21.HB1' (nmrStar names),'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1450 2 2087 1 "Not handling restraint 2087, item 1, resonance(s) 'B.21.HB2' (nmrStar names),'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1451 2 2088 1 "Not handling restraint 2088, item 1, resonance(s) 'B.21.HB2' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1452 2 2089 1 "Not handling restraint 2089, item 1, resonance(s) 'B.21.HB2' (nmrStar names),'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1453 2 2090 1 "Not handling restraint 2090, item 1, resonance(s) 'B.21.HB2' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1454 2 2091 1 "Not handling restraint 2091, item 1, resonance(s) 'A.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1455 2 2092 1 "Not handling restraint 2092, item 1, resonance(s) 'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1456 2 2093 1 "Not handling restraint 2093, item 1, resonance(s) 'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1457 2 2094 1 "Not handling restraint 2094, item 1, resonance(s) 'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1458 2 2095 1 "Not handling restraint 2095, item 1, resonance(s) 'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1459 2 2096 1 "Not handling restraint 2096, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1460 2 2097 1 "Not handling restraint 2097, item 1, resonance(s) 'B.21.HB1' (nmrStar names),'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1461 2 2098 1 "Not handling restraint 2098, item 1, resonance(s) 'B.21.HB2' (nmrStar names),'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1462 2 2099 1 "Not handling restraint 2099, item 1, resonance(s) 'B.21.HD1*' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1463 2 2100 1 "Not handling restraint 2100, item 1, resonance(s) 'B.21.HD1*' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1464 2 2101 1 "Not handling restraint 2101, item 1, resonance(s) 'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1465 2 2102 1 "Not handling restraint 2102, item 1, resonance(s) 'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1466 2 2103 1 "Not handling restraint 2103, item 1, resonance(s) 'A.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1467 2 2104 1 "Not handling restraint 2104, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1468 2 2105 1 "Not handling restraint 2105, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1469 2 2106 1 "Not handling restraint 2106, item 1, resonance(s) 'A.21.HD2*' (nmrStar names),'B.23.HB1' (nmrStar names) not linked" rr_1kqe 1 1470 2 2107 1 "Not handling restraint 2107, item 1, resonance(s) 'A.21.HD2*' (nmrStar names),'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1471 2 2108 1 "Not handling restraint 2108, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1472 2 2109 1 "Not handling restraint 2109, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1473 2 2110 1 "Not handling restraint 2110, item 1, resonance(s) 'B.21.HB1' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1474 2 2111 1 "Not handling restraint 2111, item 1, resonance(s) 'B.21.HB2' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1475 2 2112 1 "Not handling restraint 2112, item 1, resonance(s) 'B.21.HD1*' (nmrStar names),'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1476 2 2113 1 "Not handling restraint 2113, item 1, resonance(s) 'B.21.HD2*' (nmrStar names),'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1477 2 2114 1 "Not handling restraint 2114, item 1, resonance(s) 'B.21.HD2*' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1478 2 2115 1 "Not handling restraint 2115, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1479 2 2116 1 "Not handling restraint 2116, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1480 2 2116 1 "Not handling restraint 2116, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1481 2 2117 1 "Not handling restraint 2117, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1482 2 2118 1 "Not handling restraint 2118, item 1, resonance(s) 'A.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1483 2 2119 1 "Not handling restraint 2119, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1484 2 2120 1 "Not handling restraint 2120, item 1, resonance(s) 'B.21.HB1' (nmrStar names),'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1485 2 2121 1 "Not handling restraint 2121, item 1, resonance(s) 'B.21.HB2' (nmrStar names),'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1486 2 2122 1 "Not handling restraint 2122, item 1, resonance(s) 'B.21.HD2*' (nmrStar names),'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1487 2 2123 1 "Not handling restraint 2123, item 1, resonance(s) 'B.21.HN' (nmrStar names),'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1488 2 2124 1 "Not handling restraint 2124, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1489 2 2125 1 "Not handling restraint 2125, item 1, resonance(s) 'B.21.HA' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1490 2 2126 1 "Not handling restraint 2126, item 1, resonance(s) 'B.21.HB1' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1491 2 2127 1 "Not handling restraint 2127, item 1, resonance(s) 'B.21.HB2' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1492 2 2128 1 "Not handling restraint 2128, item 1, resonance(s) 'B.21.HD1*' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1493 2 2129 1 "Not handling restraint 2129, item 1, resonance(s) 'B.21.HD2*' (nmrStar names),'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1494 2 2130 1 "Not handling restraint 2130, item 1, resonance(s) 'B.21.HN' (nmrStar names),'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1495 2 2131 1 "Not handling restraint 2131, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1496 2 2132 1 "Not handling restraint 2132, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1497 2 2132 1 "Not handling restraint 2132, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1498 2 2133 1 "Not handling restraint 2133, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1499 2 2134 1 "Not handling restraint 2134, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1500 2 2135 1 "Not handling restraint 2135, item 1, resonance(s) 'A.21.HN' (nmrStar names),'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 1501 2 2136 1 "Not handling restraint 2136, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 1502 2 2137 1 "Not handling restraint 2137, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 1503 2 2138 1 "Not handling restraint 2138, item 1, resonance(s) 'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1504 2 2139 1 "Not handling restraint 2139, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1505 2 2147 1 "Not handling restraint 2147, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1506 2 2147 1 "Not handling restraint 2147, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1507 2 2149 1 "Not handling restraint 2149, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1508 2 2149 1 "Not handling restraint 2149, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1509 2 2155 1 "Not handling restraint 2155, item 1, resonance(s) 'B.23.HB1' (nmrStar names) not linked" rr_1kqe 1 1510 2 2156 1 "Not handling restraint 2156, item 1, resonance(s) 'B.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 1511 2 2157 1 "Not handling restraint 2157, item 1, resonance(s) 'B.23.HD2*' (nmrStar names) not linked" rr_1kqe 1 1512 2 2158 1 "Not handling restraint 2158, item 1, resonance(s) 'B.23.HG' (nmrStar names) not linked" rr_1kqe 1 1513 2 2159 1 "Not handling restraint 2159, item 1, resonance(s) 'B.21.HA' (nmrStar names) not linked" rr_1kqe 1 1514 2 2160 1 "Not handling restraint 2160, item 1, resonance(s) 'B.21.HB1' (nmrStar names) not linked" rr_1kqe 1 1515 2 2161 1 "Not handling restraint 2161, item 1, resonance(s) 'B.21.HD1*' (nmrStar names) not linked" rr_1kqe 1 1516 2 2162 1 "Not handling restraint 2162, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1517 2 2163 1 "Not handling restraint 2163, item 1, resonance(s) 'B.21.HG' (nmrStar names) not linked" rr_1kqe 1 1518 2 2164 1 "Not handling restraint 2164, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1519 2 2172 1 "Not handling restraint 2172, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1520 2 2173 1 "Not handling restraint 2173, item 1, resonance(s) 'B.23.HD1*' (nmrStar names) not linked" rr_1kqe 1 1521 2 2174 1 "Not handling restraint 2174, item 1, resonance(s) 'B.21.HD2*' (nmrStar names) not linked" rr_1kqe 1 1522 2 2183 1 "Not handling restraint 2183, item 1, resonance(s) 'B.17.HB' (nmrStar names) not linked" rr_1kqe 1 1523 2 2184 1 "Not handling restraint 2184, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1524 2 2185 1 "Not handling restraint 2185, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 1 1525 2 2187 1 "Not handling restraint 2187, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1526 2 2191 1 "Not handling restraint 2191, item 1, resonance(s) 'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 1527 2 2192 1 "Not handling restraint 2192, item 1, resonance(s) 'B.19.HB1' (nmrStar names) not linked" rr_1kqe 1 1528 2 2193 1 "Not handling restraint 2193, item 1, resonance(s) 'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1529 2 2194 1 "Not handling restraint 2194, item 1, resonance(s) 'B.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 1530 2 2195 1 "Not handling restraint 2195, item 1, resonance(s) 'B.19.HG' (nmrStar names) not linked" rr_1kqe 1 1531 2 2196 1 "Not handling restraint 2196, item 1, resonance(s) 'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1532 2 2198 1 "Not handling restraint 2198, item 1, resonance(s) 'A.19.HA' (nmrStar names) not linked" rr_1kqe 1 1533 2 2199 1 "Not handling restraint 2199, item 1, resonance(s) 'A.19.HA' (nmrStar names),'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1534 2 2200 1 "Not handling restraint 2200, item 1, resonance(s) 'A.21.HN' (nmrStar names),'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 1535 2 2201 1 "Not handling restraint 2201, item 1, resonance(s) 'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 1536 2 2201 1 "Not handling restraint 2201, item 1, resonance(s) 'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 1537 2 2202 1 "Not handling restraint 2202, item 1, resonance(s) 'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 1538 2 2203 1 "Not handling restraint 2203, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HB1' (nmrStar names) not linked" rr_1kqe 1 1539 2 2204 1 "Not handling restraint 2204, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1540 2 2205 1 "Not handling restraint 2205, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 1541 2 2206 1 "Not handling restraint 2206, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 1542 2 2207 1 "Not handling restraint 2207, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HG' (nmrStar names) not linked" rr_1kqe 1 1543 2 2208 1 "Not handling restraint 2208, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1544 2 2209 1 "Not handling restraint 2209, item 1, resonance(s) 'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 1545 2 2210 1 "Not handling restraint 2210, item 1, resonance(s) 'A.19.HB1' (nmrStar names) not linked" rr_1kqe 1 1546 2 2211 1 "Not handling restraint 2211, item 1, resonance(s) 'B.19.HB1' (nmrStar names) not linked" rr_1kqe 1 1547 2 2211 1 "Not handling restraint 2211, item 1, resonance(s) 'B.19.HB1' (nmrStar names) not linked" rr_1kqe 1 1548 2 2212 1 "Not handling restraint 2212, item 1, resonance(s) 'B.19.HB1' (nmrStar names) not linked" rr_1kqe 1 1549 2 2213 1 "Not handling restraint 2213, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HB1' (nmrStar names) not linked" rr_1kqe 1 1550 2 2214 1 "Not handling restraint 2214, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1551 2 2215 1 "Not handling restraint 2215, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'B.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 1552 2 2216 1 "Not handling restraint 2216, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'B.19.HG' (nmrStar names) not linked" rr_1kqe 1 1553 2 2217 1 "Not handling restraint 2217, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1554 2 2218 1 "Not handling restraint 2218, item 1, resonance(s) 'A.19.HB1' (nmrStar names),'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1555 2 2219 1 "Not handling restraint 2219, item 1, resonance(s) 'A.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1556 2 2220 1 "Not handling restraint 2220, item 1, resonance(s) 'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1557 2 2220 1 "Not handling restraint 2220, item 1, resonance(s) 'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1558 2 2221 1 "Not handling restraint 2221, item 1, resonance(s) 'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1559 2 2222 1 "Not handling restraint 2222, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1560 2 2223 1 "Not handling restraint 2223, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1561 2 2224 1 "Not handling restraint 2224, item 1, resonance(s) 'B.19.HB2' (nmrStar names),'B.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 1562 2 2225 1 "Not handling restraint 2225, item 1, resonance(s) 'B.19.HB2' (nmrStar names),'B.19.HG' (nmrStar names) not linked" rr_1kqe 1 1563 2 2226 1 "Not handling restraint 2226, item 1, resonance(s) 'B.19.HB2' (nmrStar names),'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1564 2 2227 1 "Not handling restraint 2227, item 1, resonance(s) 'A.19.HB2' (nmrStar names),'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1565 2 2228 1 "Not handling restraint 2228, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 1566 2 2229 1 "Not handling restraint 2229, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'B.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 1567 2 2230 1 "Not handling restraint 2230, item 1, resonance(s) 'A.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 1568 2 2231 1 "Not handling restraint 2231, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 1569 2 2232 1 "Not handling restraint 2232, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'B.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 1570 2 2233 1 "Not handling restraint 2233, item 1, resonance(s) 'B.19.HB2' (nmrStar names),'B.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 1571 2 2234 1 "Not handling restraint 2234, item 1, resonance(s) 'B.19.HD2*' (nmrStar names),'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1572 2 2235 1 "Not handling restraint 2235, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HG' (nmrStar names) not linked" rr_1kqe 1 1573 2 2236 1 "Not handling restraint 2236, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'B.19.HG' (nmrStar names) not linked" rr_1kqe 1 1574 2 2237 1 "Not handling restraint 2237, item 1, resonance(s) 'B.19.HB2' (nmrStar names),'B.19.HG' (nmrStar names) not linked" rr_1kqe 1 1575 2 2238 1 "Not handling restraint 2238, item 1, resonance(s) 'B.19.HA' (nmrStar names),'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1576 2 2239 1 "Not handling restraint 2239, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1577 2 2240 1 "Not handling restraint 2240, item 1, resonance(s) 'B.19.HB2' (nmrStar names),'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1578 2 2241 1 "Not handling restraint 2241, item 1, resonance(s) 'B.19.HN' (nmrStar names),'B.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 1579 2 2242 1 "Not handling restraint 2242, item 1, resonance(s) 'B.19.HD2*' (nmrStar names),'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1580 2 2243 1 "Not handling restraint 2243, item 1, resonance(s) 'B.19.HN' (nmrStar names),'B.19.HG' (nmrStar names) not linked" rr_1kqe 1 1581 2 2244 1 "Not handling restraint 2244, item 1, resonance(s) 'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1582 2 2245 1 "Not handling restraint 2245, item 1, resonance(s) 'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1583 2 2246 1 "Not handling restraint 2246, item 1, resonance(s) 'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1584 2 2247 1 "Not handling restraint 2247, item 1, resonance(s) 'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1585 2 2248 1 "Not handling restraint 2248, item 1, resonance(s) 'A.19.HN' (nmrStar names),'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1586 2 2249 1 "Not handling restraint 2249, item 1, resonance(s) 'B.19.HB1' (nmrStar names) not linked" rr_1kqe 1 1587 2 2257 1 "Not handling restraint 2257, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1588 2 2258 1 "Not handling restraint 2258, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1589 2 2265 1 "Not handling restraint 2265, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1590 2 2273 1 "Not handling restraint 2273, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1591 2 2275 1 "Not handling restraint 2275, item 1, resonance(s) 'B.21.HB1' (nmrStar names) not linked" rr_1kqe 1 1592 2 2276 1 "Not handling restraint 2276, item 1, resonance(s) 'B.21.HB2' (nmrStar names) not linked" rr_1kqe 1 1593 2 2277 1 "Not handling restraint 2277, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 1 1594 2 2279 1 "Not handling restraint 2279, item 1, resonance(s) 'B.19.HA' (nmrStar names) not linked" rr_1kqe 1 1595 2 2280 1 "Not handling restraint 2280, item 1, resonance(s) 'B.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 1596 2 2286 1 "Not handling restraint 2286, item 1, resonance(s) 'B.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 1597 2 2287 1 "Not handling restraint 2287, item 1, resonance(s) 'B.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 1598 2 2289 1 "Not handling restraint 2289, item 1, resonance(s) 'B.19.HD1*' (nmrStar names) not linked" rr_1kqe 1 1599 2 2297 1 "Not handling restraint 2297, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1600 2 2298 1 "Not handling restraint 2298, item 1, resonance(s) 'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 1601 2 2299 1 "Not handling restraint 2299, item 1, resonance(s) 'B.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 1602 2 2300 1 "Not handling restraint 2300, item 1, resonance(s) 'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1603 2 2301 1 "Not handling restraint 2301, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 1 1604 2 2304 1 "Not handling restraint 2304, item 1, resonance(s) 'B.19.HG' (nmrStar names) not linked" rr_1kqe 1 1605 2 2305 1 "Not handling restraint 2305, item 1, resonance(s) 'B.19.HN' (nmrStar names) not linked" rr_1kqe 1 1606 2 2310 1 "Not handling restraint 2310, item 1, resonance(s) 'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1607 2 2311 1 "Not handling restraint 2311, item 1, resonance(s) 'B.17.HB' (nmrStar names) not linked" rr_1kqe 1 1608 2 2312 1 "Not handling restraint 2312, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1609 2 2313 1 "Not handling restraint 2313, item 1, resonance(s) 'B.19.HD2*' (nmrStar names) not linked" rr_1kqe 1 1610 2 2318 1 "Not handling restraint 2318, item 1, resonance(s) 'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 1611 2 2319 1 "Not handling restraint 2319, item 1, resonance(s) 'B.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 1612 2 2320 1 "Not handling restraint 2320, item 1, resonance(s) 'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1613 2 2321 1 "Not handling restraint 2321, item 1, resonance(s) 'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 1614 2 2321 1 "Not handling restraint 2321, item 1, resonance(s) 'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 1615 2 2322 1 "Not handling restraint 2322, item 1, resonance(s) 'B.19.HB1' (nmrStar names),'A.17.HA' (nmrStar names) not linked" rr_1kqe 1 1616 2 2323 1 "Not handling restraint 2323, item 1, resonance(s) 'A.17.HA' (nmrStar names),'B.19.HB2' (nmrStar names) not linked" rr_1kqe 1 1617 2 2324 1 "Not handling restraint 2324, item 1, resonance(s) 'A.19.HN' (nmrStar names),'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1618 2 2325 1 "Not handling restraint 2325, item 1, resonance(s) 'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1619 2 2326 1 "Not handling restraint 2326, item 1, resonance(s) 'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1620 2 2327 1 "Not handling restraint 2327, item 1, resonance(s) 'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1621 2 2328 1 "Not handling restraint 2328, item 1, resonance(s) 'B.17.HA' (nmrStar names),'B.17.HB' (nmrStar names) not linked" rr_1kqe 1 1622 2 2329 1 "Not handling restraint 2329, item 1, resonance(s) 'B.17.HA' (nmrStar names),'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1623 2 2330 1 "Not handling restraint 2330, item 1, resonance(s) 'B.17.HA' (nmrStar names),'B.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 1624 2 2331 1 "Not handling restraint 2331, item 1, resonance(s) 'B.17.HA' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1625 2 2332 1 "Not handling restraint 2332, item 1, resonance(s) 'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1626 2 2333 1 "Not handling restraint 2333, item 1, resonance(s) 'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1627 2 2334 1 "Not handling restraint 2334, item 1, resonance(s) 'A.17.HA' (nmrStar names),'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1628 2 2335 1 "Not handling restraint 2335, item 1, resonance(s) 'A.17.HB' (nmrStar names) not linked" rr_1kqe 1 1629 2 2336 1 "Not handling restraint 2336, item 1, resonance(s) 'B.17.HB' (nmrStar names) not linked" rr_1kqe 1 1630 2 2337 1 "Not handling restraint 2337, item 1, resonance(s) 'B.17.HA' (nmrStar names),'B.17.HB' (nmrStar names) not linked" rr_1kqe 1 1631 2 2338 1 "Not handling restraint 2338, item 1, resonance(s) 'B.17.HB' (nmrStar names),'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1632 2 2339 1 "Not handling restraint 2339, item 1, resonance(s) 'B.17.HB' (nmrStar names),'B.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 1633 2 2340 1 "Not handling restraint 2340, item 1, resonance(s) 'B.17.HB' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1634 2 2341 1 "Not handling restraint 2341, item 1, resonance(s) 'A.17.HB' (nmrStar names),'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1635 2 2342 1 "Not handling restraint 2342, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1636 2 2342 1 "Not handling restraint 2342, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1637 2 2343 1 "Not handling restraint 2343, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1638 2 2344 1 "Not handling restraint 2344, item 1, resonance(s) 'A.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1639 2 2345 1 "Not handling restraint 2345, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1640 2 2346 1 "Not handling restraint 2346, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1641 2 2347 1 "Not handling restraint 2347, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1642 2 2348 1 "Not handling restraint 2348, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1643 2 2349 1 "Not handling restraint 2349, item 1, resonance(s) 'B.17.HA' (nmrStar names),'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1644 2 2350 1 "Not handling restraint 2350, item 1, resonance(s) 'B.17.HB' (nmrStar names),'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1645 2 2351 1 "Not handling restraint 2351, item 1, resonance(s) 'B.17.HG1*' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1646 2 2352 1 "Not handling restraint 2352, item 1, resonance(s) 'B.17.HG1*' (nmrStar names) not linked" rr_1kqe 1 1647 2 2353 1 "Not handling restraint 2353, item 1, resonance(s) 'A.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 1648 2 2353 1 "Not handling restraint 2353, item 1, resonance(s) 'A.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 1649 2 2354 1 "Not handling restraint 2354, item 1, resonance(s) 'B.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 1650 2 2355 1 "Not handling restraint 2355, item 1, resonance(s) 'B.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 1651 2 2356 1 "Not handling restraint 2356, item 1, resonance(s) 'B.17.HA' (nmrStar names),'B.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 1652 2 2357 1 "Not handling restraint 2357, item 1, resonance(s) 'B.17.HB' (nmrStar names),'B.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 1653 2 2358 1 "Not handling restraint 2358, item 1, resonance(s) 'B.17.HG2*' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1654 2 2359 1 "Not handling restraint 2359, item 1, resonance(s) 'B.17.HG2*' (nmrStar names) not linked" rr_1kqe 1 1655 2 2360 1 "Not handling restraint 2360, item 1, resonance(s) 'A.17.HG2*' (nmrStar names),'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1656 2 2361 1 "Not handling restraint 2361, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1657 2 2362 1 "Not handling restraint 2362, item 1, resonance(s) 'B.17.HA' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1658 2 2363 1 "Not handling restraint 2363, item 1, resonance(s) 'B.17.HB' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1659 2 2364 1 "Not handling restraint 2364, item 1, resonance(s) 'B.17.HG1*' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1660 2 2365 1 "Not handling restraint 2365, item 1, resonance(s) 'B.17.HG2*' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1661 2 2366 1 "Not handling restraint 2366, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1662 2 2367 1 "Not handling restraint 2367, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1663 2 2368 1 "Not handling restraint 2368, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1664 2 2369 1 "Not handling restraint 2369, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1665 2 2370 1 "Not handling restraint 2370, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 1666 2 2371 1 "Not handling restraint 2371, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1667 2 2372 1 "Not handling restraint 2372, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 1 1668 2 2373 1 "Not handling restraint 2373, item 1, resonance(s) 'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1669 2 2374 1 "Not handling restraint 2374, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1670 2 2379 1 "Not handling restraint 2379, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1671 2 2380 1 "Not handling restraint 2380, item 1, resonance(s) 'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 1672 2 2381 1 "Not handling restraint 2381, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1673 2 2387 1 "Not handling restraint 2387, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1674 2 2392 1 "Not handling restraint 2392, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1675 2 2402 1 "Not handling restraint 2402, item 1, resonance(s) 'B.17.HA' (nmrStar names) not linked" rr_1kqe 1 1676 2 2403 1 "Not handling restraint 2403, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1677 2 2407 1 "Not handling restraint 2407, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1678 2 2414 1 "Not handling restraint 2414, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1679 2 2415 1 "Not handling restraint 2415, item 1, resonance(s) 'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 1680 2 2416 1 "Not handling restraint 2416, item 1, resonance(s) 'B.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 1681 2 2417 1 "Not handling restraint 2417, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1682 2 2418 1 "Not handling restraint 2418, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 1683 2 2419 1 "Not handling restraint 2419, item 1, resonance(s) 'A.15.HA' (nmrStar names) not linked" rr_1kqe 1 1684 2 2420 1 "Not handling restraint 2420, item 1, resonance(s) 'A.17.HA' (nmrStar names),'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1685 2 2421 1 "Not handling restraint 2421, item 1, resonance(s) 'A.15.HA' (nmrStar names),'B.17.HB' (nmrStar names) not linked" rr_1kqe 1 1686 2 2422 1 "Not handling restraint 2422, item 1, resonance(s) 'A.17.HN' (nmrStar names),'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1687 2 2423 1 "Not handling restraint 2423, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1688 2 2424 1 "Not handling restraint 2424, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1689 2 2425 1 "Not handling restraint 2425, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1690 2 2426 1 "Not handling restraint 2426, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1691 2 2427 1 "Not handling restraint 2427, item 1, resonance(s) 'B.15.HA' (nmrStar names),'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 1692 2 2428 1 "Not handling restraint 2428, item 1, resonance(s) 'B.15.HA' (nmrStar names),'B.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 1693 2 2429 1 "Not handling restraint 2429, item 1, resonance(s) 'B.15.HA' (nmrStar names),'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1694 2 2430 1 "Not handling restraint 2430, item 1, resonance(s) 'B.15.HA' (nmrStar names),'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1695 2 2431 1 "Not handling restraint 2431, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1696 2 2432 1 "Not handling restraint 2432, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1697 2 2433 1 "Not handling restraint 2433, item 1, resonance(s) 'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 1698 2 2434 1 "Not handling restraint 2434, item 1, resonance(s) 'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 1699 2 2435 1 "Not handling restraint 2435, item 1, resonance(s) 'A.15.HB' (nmrStar names) not linked" rr_1kqe 1 1700 2 2436 1 "Not handling restraint 2436, item 1, resonance(s) 'A.15.HB' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1701 2 2437 1 "Not handling restraint 2437, item 1, resonance(s) 'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 1702 2 2438 1 "Not handling restraint 2438, item 1, resonance(s) 'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 1703 2 2439 1 "Not handling restraint 2439, item 1, resonance(s) 'B.15.HA' (nmrStar names),'B.15.HB' (nmrStar names) not linked" rr_1kqe 1 1704 2 2440 1 "Not handling restraint 2440, item 1, resonance(s) 'B.15.HB' (nmrStar names),'B.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 1705 2 2441 1 "Not handling restraint 2441, item 1, resonance(s) 'B.15.HB' (nmrStar names),'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1706 2 2442 1 "Not handling restraint 2442, item 1, resonance(s) 'B.15.HB' (nmrStar names),'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1707 2 2443 1 "Not handling restraint 2443, item 1, resonance(s) 'A.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 1708 2 2444 1 "Not handling restraint 2444, item 1, resonance(s) 'A.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 1709 2 2445 1 "Not handling restraint 2445, item 1, resonance(s) 'A.15.HG1*' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1710 2 2446 1 "Not handling restraint 2446, item 1, resonance(s) 'B.15.HA' (nmrStar names),'B.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 1711 2 2447 1 "Not handling restraint 2447, item 1, resonance(s) 'B.15.HB' (nmrStar names),'B.15.HG1*' (nmrStar names) not linked" rr_1kqe 1 1712 2 2448 1 "Not handling restraint 2448, item 1, resonance(s) 'B.15.HG1*' (nmrStar names),'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1713 2 2449 1 "Not handling restraint 2449, item 1, resonance(s) 'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1714 2 2450 1 "Not handling restraint 2450, item 1, resonance(s) 'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1715 2 2451 1 "Not handling restraint 2451, item 1, resonance(s) 'A.15.HG2*' (nmrStar names),'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1716 2 2452 1 "Not handling restraint 2452, item 1, resonance(s) 'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1717 2 2453 1 "Not handling restraint 2453, item 1, resonance(s) 'B.15.HA' (nmrStar names),'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1718 2 2454 1 "Not handling restraint 2454, item 1, resonance(s) 'B.15.HB' (nmrStar names),'B.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1719 2 2455 1 "Not handling restraint 2455, item 1, resonance(s) 'B.15.HG2*' (nmrStar names),'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1720 2 2456 1 "Not handling restraint 2456, item 1, resonance(s) 'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1721 2 2457 1 "Not handling restraint 2457, item 1, resonance(s) 'A.15.HG2*' (nmrStar names) not linked" rr_1kqe 1 1722 2 2458 1 "Not handling restraint 2458, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1723 2 2459 1 "Not handling restraint 2459, item 1, resonance(s) 'B.15.HA' (nmrStar names),'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1724 2 2460 1 "Not handling restraint 2460, item 1, resonance(s) 'B.15.HB' (nmrStar names),'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1725 2 2461 1 "Not handling restraint 2461, item 1, resonance(s) 'B.15.HG1*' (nmrStar names),'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1726 2 2462 1 "Not handling restraint 2462, item 1, resonance(s) 'B.15.HG2*' (nmrStar names),'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1727 2 2463 1 "Not handling restraint 2463, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1728 2 2464 1 "Not handling restraint 2464, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1729 2 2465 1 "Not handling restraint 2465, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1730 2 2466 1 "Not handling restraint 2466, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 1731 2 2467 1 "Not handling restraint 2467, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 1732 2 2468 1 "Not handling restraint 2468, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1733 2 2469 1 "Not handling restraint 2469, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1734 2 2470 1 "Not handling restraint 2470, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1735 2 2475 1 "Not handling restraint 2475, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 1 1736 2 2479 1 "Not handling restraint 2479, item 1, resonance(s) 'B.15.HA' (nmrStar names) not linked" rr_1kqe 1 1737 2 2480 1 "Not handling restraint 2480, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1738 2 2486 1 "Not handling restraint 2486, item 1, resonance(s) 'B.15.HN' (nmrStar names) not linked" rr_1kqe 1 1739 2 2491 1 "Not handling restraint 2491, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 1 1740 2 2496 1 "Not handling restraint 2496, item 1, resonance(s) 'A.15.HN' (nmrStar names) not linked" rr_1kqe 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_1kqe _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 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_1kqe 2 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 3 1 1 "Not handling restraint 1, item 1, resonance(s) 'A.3.O' (nmrStar names) not linked" rr_1kqe 2 2 3 2 1 "Not handling restraint 2, item 1, resonance(s) 'A.3.O' (nmrStar names) not linked" rr_1kqe 2 3 3 3 1 "Not handling restraint 3, item 1, resonance(s) 'B.3.O' (nmrStar names) not linked" rr_1kqe 2 4 3 4 1 "Not handling restraint 4, item 1, resonance(s) 'B.3.O' (nmrStar names) not linked" rr_1kqe 2 5 3 5 1 "Not handling restraint 5, item 1, resonance(s) 'A.23.O' (nmrStar names) not linked" rr_1kqe 2 6 3 6 1 "Not handling restraint 6, item 1, resonance(s) 'A.23.O' (nmrStar names) not linked" rr_1kqe 2 7 3 7 1 "Not handling restraint 7, item 1, resonance(s) 'B.23.O' (nmrStar names) not linked" rr_1kqe 2 8 3 8 1 "Not handling restraint 8, item 1, resonance(s) 'B.23.O' (nmrStar names) not linked" rr_1kqe 2 9 3 9 1 "Not handling restraint 9, item 1, resonance(s) 'A.5.O' (nmrStar names) not linked" rr_1kqe 2 10 3 10 1 "Not handling restraint 10, item 1, resonance(s) 'A.5.O' (nmrStar names) not linked" rr_1kqe 2 11 3 11 1 "Not handling restraint 11, item 1, resonance(s) 'B.5.O' (nmrStar names) not linked" rr_1kqe 2 12 3 12 1 "Not handling restraint 12, item 1, resonance(s) 'B.5.O' (nmrStar names) not linked" rr_1kqe 2 13 3 13 1 "Not handling restraint 13, item 1, resonance(s) 'A.21.O' (nmrStar names) not linked" rr_1kqe 2 14 3 14 1 "Not handling restraint 14, item 1, resonance(s) 'A.21.O' (nmrStar names) not linked" rr_1kqe 2 15 3 15 1 "Not handling restraint 15, item 1, resonance(s) 'B.21.O' (nmrStar names) not linked" rr_1kqe 2 16 3 16 1 "Not handling restraint 16, item 1, resonance(s) 'B.21.O' (nmrStar names) not linked" rr_1kqe 2 17 3 17 1 "Not handling restraint 17, item 1, resonance(s) 'A.7.O' (nmrStar names) not linked" rr_1kqe 2 18 3 18 1 "Not handling restraint 18, item 1, resonance(s) 'A.7.O' (nmrStar names) not linked" rr_1kqe 2 19 3 19 1 "Not handling restraint 19, item 1, resonance(s) 'B.7.O' (nmrStar names) not linked" rr_1kqe 2 20 3 20 1 "Not handling restraint 20, item 1, resonance(s) 'B.7.O' (nmrStar names) not linked" rr_1kqe 2 21 3 21 1 "Not handling restraint 21, item 1, resonance(s) 'A.19.O' (nmrStar names) not linked" rr_1kqe 2 22 3 22 1 "Not handling restraint 22, item 1, resonance(s) 'A.19.O' (nmrStar names) not linked" rr_1kqe 2 23 3 23 1 "Not handling restraint 23, item 1, resonance(s) 'B.19.O' (nmrStar names) not linked" rr_1kqe 2 24 3 24 1 "Not handling restraint 24, item 1, resonance(s) 'B.19.O' (nmrStar names) not linked" rr_1kqe 2 25 3 25 1 "Not handling restraint 25, item 1, resonance(s) 'A.9.O' (nmrStar names) not linked" rr_1kqe 2 26 3 26 1 "Not handling restraint 26, item 1, resonance(s) 'A.9.O' (nmrStar names) not linked" rr_1kqe 2 27 3 27 1 "Not handling restraint 27, item 1, resonance(s) 'B.9.O' (nmrStar names) not linked" rr_1kqe 2 28 3 28 1 "Not handling restraint 28, item 1, resonance(s) 'B.9.O' (nmrStar names) not linked" rr_1kqe 2 29 3 29 1 "Not handling restraint 29, item 1, resonance(s) 'A.17.O' (nmrStar names) not linked" rr_1kqe 2 30 3 30 1 "Not handling restraint 30, item 1, resonance(s) 'A.17.O' (nmrStar names) not linked" rr_1kqe 2 31 3 31 1 "Not handling restraint 31, item 1, resonance(s) 'B.17.O' (nmrStar names) not linked" rr_1kqe 2 32 3 32 1 "Not handling restraint 32, item 1, resonance(s) 'B.17.O' (nmrStar names) not linked" rr_1kqe 2 33 3 33 1 "Not handling restraint 33, item 1, resonance(s) 'A.11.O' (nmrStar names) not linked" rr_1kqe 2 34 3 34 1 "Not handling restraint 34, item 1, resonance(s) 'A.11.O' (nmrStar names) not linked" rr_1kqe 2 35 3 35 1 "Not handling restraint 35, item 1, resonance(s) 'B.11.O' (nmrStar names) not linked" rr_1kqe 2 36 3 36 1 "Not handling restraint 36, item 1, resonance(s) 'B.11.O' (nmrStar names) not linked" rr_1kqe 2 37 3 37 1 "Not handling restraint 37, item 1, resonance(s) 'A.15.O' (nmrStar names) not linked" rr_1kqe 2 38 3 38 1 "Not handling restraint 38, item 1, resonance(s) 'A.15.O' (nmrStar names) not linked" rr_1kqe 2 39 3 39 1 "Not handling restraint 39, item 1, resonance(s) 'B.15.O' (nmrStar names) not linked" rr_1kqe 2 40 3 40 1 "Not handling restraint 40, item 1, resonance(s) 'B.15.O' (nmrStar names) not linked" rr_1kqe 2 41 3 41 1 "Not handling restraint 41, item 1, resonance(s) 'B.3.N' (nmrStar names) not linked" rr_1kqe 2 42 3 42 1 "Not handling restraint 42, item 1, resonance(s) 'B.3.HN' (nmrStar names) not linked" rr_1kqe 2 43 3 43 1 "Not handling restraint 43, item 1, resonance(s) 'A.3.N' (nmrStar names) not linked" rr_1kqe 2 44 3 44 1 "Not handling restraint 44, item 1, resonance(s) 'A.3.HN' (nmrStar names) not linked" rr_1kqe 2 45 3 45 1 "Not handling restraint 45, item 1, resonance(s) 'B.23.N' (nmrStar names) not linked" rr_1kqe 2 46 3 46 1 "Not handling restraint 46, item 1, resonance(s) 'B.23.HN' (nmrStar names) not linked" rr_1kqe 2 47 3 47 1 "Not handling restraint 47, item 1, resonance(s) 'A.23.N' (nmrStar names) not linked" rr_1kqe 2 48 3 48 1 "Not handling restraint 48, item 1, resonance(s) 'A.23.HN' (nmrStar names) not linked" rr_1kqe 2 49 3 49 1 "Not handling restraint 49, item 1, resonance(s) 'B.5.N' (nmrStar names) not linked" rr_1kqe 2 50 3 50 1 "Not handling restraint 50, item 1, resonance(s) 'B.5.HN' (nmrStar names) not linked" rr_1kqe 2 51 3 51 1 "Not handling restraint 51, item 1, resonance(s) 'A.5.N' (nmrStar names) not linked" rr_1kqe 2 52 3 52 1 "Not handling restraint 52, item 1, resonance(s) 'A.5.HN' (nmrStar names) not linked" rr_1kqe 2 53 3 53 1 "Not handling restraint 53, item 1, resonance(s) 'B.21.N' (nmrStar names) not linked" rr_1kqe 2 54 3 54 1 "Not handling restraint 54, item 1, resonance(s) 'B.21.HN' (nmrStar names) not linked" rr_1kqe 2 55 3 55 1 "Not handling restraint 55, item 1, resonance(s) 'A.21.N' (nmrStar names) not linked" rr_1kqe 2 56 3 56 1 "Not handling restraint 56, item 1, resonance(s) 'A.21.HN' (nmrStar names) not linked" rr_1kqe 2 57 3 57 1 "Not handling restraint 57, item 1, resonance(s) 'B.7.N' (nmrStar names) not linked" rr_1kqe 2 58 3 58 1 "Not handling restraint 58, item 1, resonance(s) 'B.7.HN' (nmrStar names) not linked" rr_1kqe 2 59 3 59 1 "Not handling restraint 59, item 1, resonance(s) 'A.7.N' (nmrStar names) not linked" rr_1kqe 2 60 3 60 1 "Not handling restraint 60, item 1, resonance(s) 'A.7.HN' (nmrStar names) not linked" rr_1kqe 2 61 3 61 1 "Not handling restraint 61, item 1, resonance(s) 'B.19.N' (nmrStar names) not linked" rr_1kqe 2 62 3 62 1 "Not handling restraint 62, item 1, resonance(s) 'B.19.HN' (nmrStar names) not linked" rr_1kqe 2 63 3 63 1 "Not handling restraint 63, item 1, resonance(s) 'A.19.N' (nmrStar names) not linked" rr_1kqe 2 64 3 64 1 "Not handling restraint 64, item 1, resonance(s) 'A.19.HN' (nmrStar names) not linked" rr_1kqe 2 65 3 65 1 "Not handling restraint 65, item 1, resonance(s) 'B.9.N' (nmrStar names) not linked" rr_1kqe 2 66 3 66 1 "Not handling restraint 66, item 1, resonance(s) 'B.9.HN' (nmrStar names) not linked" rr_1kqe 2 67 3 67 1 "Not handling restraint 67, item 1, resonance(s) 'A.9.N' (nmrStar names) not linked" rr_1kqe 2 68 3 68 1 "Not handling restraint 68, item 1, resonance(s) 'A.9.HN' (nmrStar names) not linked" rr_1kqe 2 69 3 69 1 "Not handling restraint 69, item 1, resonance(s) 'B.17.N' (nmrStar names) not linked" rr_1kqe 2 70 3 70 1 "Not handling restraint 70, item 1, resonance(s) 'B.17.HN' (nmrStar names) not linked" rr_1kqe 2 71 3 71 1 "Not handling restraint 71, item 1, resonance(s) 'A.17.N' (nmrStar names) not linked" rr_1kqe 2 72 3 72 1 "Not handling restraint 72, item 1, resonance(s) 'A.17.HN' (nmrStar names) not linked" rr_1kqe 2 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_1kqe _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER METAL TRANSPORT 05-JAN-02 1KQE *TITLE SOLUTION STRUCTURE OF A LINKED SHORTENED GRAMICIDIN A IN *TITLE 2 BENZENE/ACETONE 10:1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: GRAMICIDIN A; *COMPND 3 CHAIN: A, B; *COMPND 4 ENGINEERED: YES; *COMPND 5 OTHER_DETAILS: THIS SEQUENCE IS 4 AA LESS THAN THE THE *COMPND 6 NATURALLY OCCURING GA *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED BY SOLUTION *SOURCE 4 SYNTHESIS. THE NATURALLY OCCURING SEQUENCE IS PRODUCED BY *SOURCE 5 BACILLUS BREVIS *KEYWDS BETA-HELIX *EXPDTA NMR *AUTHOR H.D.ARNDT, D.BOCKELMANN, A.KNOLL, S.LAMBERTH, C.GRIESINGER, *AUTHOR 2 U.KOERT *REVDAT 1 27-NOV-02 1KQE 0' save_