data_Remediated_restraints_file_for_PDB_entry_1awx # This BMRB archive file contains, for PDB entry 1awx: # # - 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_1awx _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1awx' _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 1awx' _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 1awx 'Master copy' rr_1awx stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1awx _Assembly.ID 1 _Assembly.Name 1awx _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 7760.5317 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 'BRUTON S TYROSINE KINASE' 1 $BRUTON_S_TYROSINE_KINASE A . no . . . . . . rr_1awx 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BRUTON_S_TYROSINE_KINASE _Entity.Sf_category entity _Entity.Sf_framecode BRUTON_S_TYROSINE_KINASE _Entity.Entry_ID rr_1awx _Entity.ID 1 _Entity.Name BRUTON_S_TYROSINE_KINASE _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ; GSMSTSELKKVVALYDYMPM NANDLQLRKGDEYFILEESN LPWWRARDKNGQEGYIPSNY VTEAEDS ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Number_of_monomers 67 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 7760.5317 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . rr_1awx 1 2 . SER . rr_1awx 1 3 . MET . rr_1awx 1 4 . SER . rr_1awx 1 5 . THR . rr_1awx 1 6 . SER . rr_1awx 1 7 . GLU . rr_1awx 1 8 . LEU . rr_1awx 1 9 . LYS . rr_1awx 1 10 . LYS . rr_1awx 1 11 . VAL . rr_1awx 1 12 . VAL . rr_1awx 1 13 . ALA . rr_1awx 1 14 . LEU . rr_1awx 1 15 . TYR . rr_1awx 1 16 . ASP . rr_1awx 1 17 . TYR . rr_1awx 1 18 . MET . rr_1awx 1 19 . PRO . rr_1awx 1 20 . MET . rr_1awx 1 21 . ASN . rr_1awx 1 22 . ALA . rr_1awx 1 23 . ASN . rr_1awx 1 24 . ASP . rr_1awx 1 25 . LEU . rr_1awx 1 26 . GLN . rr_1awx 1 27 . LEU . rr_1awx 1 28 . ARG . rr_1awx 1 29 . LYS . rr_1awx 1 30 . GLY . rr_1awx 1 31 . ASP . rr_1awx 1 32 . GLU . rr_1awx 1 33 . TYR . rr_1awx 1 34 . PHE . rr_1awx 1 35 . ILE . rr_1awx 1 36 . LEU . rr_1awx 1 37 . GLU . rr_1awx 1 38 . GLU . rr_1awx 1 39 . SER . rr_1awx 1 40 . ASN . rr_1awx 1 41 . LEU . rr_1awx 1 42 . PRO . rr_1awx 1 43 . TRP . rr_1awx 1 44 . TRP . rr_1awx 1 45 . ARG . rr_1awx 1 46 . ALA . rr_1awx 1 47 . ARG . rr_1awx 1 48 . ASP . rr_1awx 1 49 . LYS . rr_1awx 1 50 . ASN . rr_1awx 1 51 . GLY . rr_1awx 1 52 . GLN . rr_1awx 1 53 . GLU . rr_1awx 1 54 . GLY . rr_1awx 1 55 . TYR . rr_1awx 1 56 . ILE . rr_1awx 1 57 . PRO . rr_1awx 1 58 . SER . rr_1awx 1 59 . ASN . rr_1awx 1 60 . TYR . rr_1awx 1 61 . VAL . rr_1awx 1 62 . THR . rr_1awx 1 63 . GLU . rr_1awx 1 64 . ALA . rr_1awx 1 65 . GLU . rr_1awx 1 66 . ASP . rr_1awx 1 67 . SER . rr_1awx 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 rr_1awx 1 . SER 2 2 rr_1awx 1 . MET 3 3 rr_1awx 1 . SER 4 4 rr_1awx 1 . THR 5 5 rr_1awx 1 . SER 6 6 rr_1awx 1 . GLU 7 7 rr_1awx 1 . LEU 8 8 rr_1awx 1 . LYS 9 9 rr_1awx 1 . LYS 10 10 rr_1awx 1 . VAL 11 11 rr_1awx 1 . VAL 12 12 rr_1awx 1 . ALA 13 13 rr_1awx 1 . LEU 14 14 rr_1awx 1 . TYR 15 15 rr_1awx 1 . ASP 16 16 rr_1awx 1 . TYR 17 17 rr_1awx 1 . MET 18 18 rr_1awx 1 . PRO 19 19 rr_1awx 1 . MET 20 20 rr_1awx 1 . ASN 21 21 rr_1awx 1 . ALA 22 22 rr_1awx 1 . ASN 23 23 rr_1awx 1 . ASP 24 24 rr_1awx 1 . LEU 25 25 rr_1awx 1 . GLN 26 26 rr_1awx 1 . LEU 27 27 rr_1awx 1 . ARG 28 28 rr_1awx 1 . LYS 29 29 rr_1awx 1 . GLY 30 30 rr_1awx 1 . ASP 31 31 rr_1awx 1 . GLU 32 32 rr_1awx 1 . TYR 33 33 rr_1awx 1 . PHE 34 34 rr_1awx 1 . ILE 35 35 rr_1awx 1 . LEU 36 36 rr_1awx 1 . GLU 37 37 rr_1awx 1 . GLU 38 38 rr_1awx 1 . SER 39 39 rr_1awx 1 . ASN 40 40 rr_1awx 1 . LEU 41 41 rr_1awx 1 . PRO 42 42 rr_1awx 1 . TRP 43 43 rr_1awx 1 . TRP 44 44 rr_1awx 1 . ARG 45 45 rr_1awx 1 . ALA 46 46 rr_1awx 1 . ARG 47 47 rr_1awx 1 . ASP 48 48 rr_1awx 1 . LYS 49 49 rr_1awx 1 . ASN 50 50 rr_1awx 1 . GLY 51 51 rr_1awx 1 . GLN 52 52 rr_1awx 1 . GLU 53 53 rr_1awx 1 . GLY 54 54 rr_1awx 1 . TYR 55 55 rr_1awx 1 . ILE 56 56 rr_1awx 1 . PRO 57 57 rr_1awx 1 . SER 58 58 rr_1awx 1 . ASN 59 59 rr_1awx 1 . TYR 60 60 rr_1awx 1 . VAL 61 61 rr_1awx 1 . THR 62 62 rr_1awx 1 . GLU 63 63 rr_1awx 1 . ALA 64 64 rr_1awx 1 . GLU 65 65 rr_1awx 1 . ASP 66 66 rr_1awx 1 . SER 67 67 rr_1awx 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1awx _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_1awx _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_1awx 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_1awx 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 GLY C C 49.534 21.047 6.327 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_1awx 1 . 1 . 2 . 1 1 1 GLY CA C 50.808 21.458 7.066 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_1awx 1 . 1 . 3 . 1 1 1 GLY H1 H 51.540 19.511 7.164 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_1awx 1 . 1 . 4 . 1 1 1 GLY H2 H 52.088 20.391 5.817 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_1awx 1 . 1 . 5 . 1 1 1 GLY H3 H 52.727 20.705 7.360 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_1awx 1 . 1 . 6 . 1 1 1 GLY HA2 H 50.605 21.530 8.125 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_1awx 1 . 1 . 7 . 1 1 1 GLY HA3 H 51.141 22.417 6.697 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_1awx 1 . 1 . 8 . 1 1 1 GLY N N 51.871 20.439 6.834 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_1awx 1 . 1 . 9 . 1 1 1 GLY O O 48.672 20.389 6.879 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_1awx 1 . 1 . 10 . 1 1 2 SER C C 48.593 20.369 2.995 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . rr_1awx 1 . 1 . 11 . 1 1 2 SER CA C 48.193 21.069 4.297 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . rr_1awx 1 . 1 . 12 . 1 1 2 SER CB C 47.502 22.399 4.001 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . rr_1awx 1 . 1 . 13 . 1 1 2 SER H H 50.120 21.962 4.663 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . rr_1awx 1 . 1 . 14 . 1 1 2 SER HA H 47.542 20.437 4.881 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . rr_1awx 1 . 1 . 15 . 1 1 2 SER HB2 H 46.631 22.227 3.390 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . rr_1awx 1 . 1 . 16 . 1 1 2 SER HB3 H 47.201 22.862 4.931 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . rr_1awx 1 . 1 . 17 . 1 1 2 SER HG H 48.203 23.186 2.365 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . rr_1awx 1 . 1 . 18 . 1 1 2 SER N N 49.410 21.432 5.082 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . rr_1awx 1 . 1 . 19 . 1 1 2 SER O O 49.761 20.225 2.691 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . rr_1awx 1 . 1 . 20 . 1 1 2 SER OG O 48.402 23.250 3.302 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . rr_1awx 1 . 1 . 21 . 1 1 3 MET C C 48.907 18.074 1.148 . . . 1.0 . . . . . . . . . . . . A . 3 MET C . . . . . . . . . rr_1awx 1 . 1 . 22 . 1 1 3 MET CA C 47.929 19.236 0.927 . . . 1.0 . . . . . . . . . . . . A . 3 MET CA . . . . . . . . . rr_1awx 1 . 1 . 23 . 1 1 3 MET CB C 48.559 20.303 0.025 . . . 1.0 . . . . . . . . . . . . A . 3 MET CB . . . . . . . . . rr_1awx 1 . 1 . 24 . 1 1 3 MET CE C 48.936 23.184 -1.322 . . . 1.0 . . . . . . . . . . . . A . 3 MET CE . . . . . . . . . rr_1awx 1 . 1 . 25 . 1 1 3 MET CG C 47.473 20.946 -0.840 . . . 1.0 . . . . . . . . . . . . A . 3 MET CG . . . . . . . . . rr_1awx 1 . 1 . 26 . 1 1 3 MET H H 46.693 20.063 2.493 . . . 1.0 . . . . . . . . . . . . A . 3 MET H . . . . . . . . . rr_1awx 1 . 1 . 27 . 1 1 3 MET HA H 47.018 18.873 0.478 . . . 1.0 . . . . . . . . . . . . A . 3 MET HA . . . . . . . . . rr_1awx 1 . 1 . 28 . 1 1 3 MET HB2 H 49.028 21.060 0.637 . . . 1.0 . . . . . . . . . . . . A . 3 MET HB2 . . . . . . . . . rr_1awx 1 . 1 . 29 . 1 1 3 MET HB3 H 49.300 19.845 -0.612 . . . 1.0 . . . . . . . . . . . . A . 3 MET HB3 . . . . . . . . . rr_1awx 1 . 1 . 30 . 1 1 3 MET HE1 H 48.617 23.126 -0.291 . . . 1.0 . . . . . . . . . . . . A . 3 MET HE1 . . . . . . . . . rr_1awx 1 . 1 . 31 . 1 1 3 MET HE2 H 50.016 23.146 -1.373 . . . 1.0 . . . . . . . . . . . . A . 3 MET HE2 . . . . . . . . . rr_1awx 1 . 1 . 32 . 1 1 3 MET HE3 H 48.591 24.110 -1.752 . . . 1.0 . . . . . . . . . . . . A . 3 MET HE3 . . . . . . . . . rr_1awx 1 . 1 . 33 . 1 1 3 MET HG2 H 46.802 20.182 -1.203 . . . 1.0 . . . . . . . . . . . . A . 3 MET HG2 . . . . . . . . . rr_1awx 1 . 1 . 34 . 1 1 3 MET HG3 H 46.919 21.661 -0.250 . . . 1.0 . . . . . . . . . . . . A . 3 MET HG3 . . . . . . . . . rr_1awx 1 . 1 . 35 . 1 1 3 MET N N 47.626 19.932 2.222 . . . 1.0 . . . . . . . . . . . . A . 3 MET N . . . . . . . . . rr_1awx 1 . 1 . 36 . 1 1 3 MET O O 50.110 18.247 1.099 . . . 1.0 . . . . . . . . . . . . A . 3 MET O . . . . . . . . . rr_1awx 1 . 1 . 37 . 1 1 3 MET SD S 48.242 21.790 -2.245 . . . 1.0 . . . . . . . . . . . . A . 3 MET SD . . . . . . . . . rr_1awx 1 . 1 . 38 . 1 1 4 SER C C 50.081 15.393 0.344 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . rr_1awx 1 . 1 . 39 . 1 1 4 SER CA C 49.284 15.713 1.615 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . rr_1awx 1 . 1 . 40 . 1 1 4 SER CB C 48.344 14.558 1.959 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . rr_1awx 1 . 1 . 41 . 1 1 4 SER H H 47.418 16.787 1.422 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . rr_1awx 1 . 1 . 42 . 1 1 4 SER HA H 49.953 15.900 2.440 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . rr_1awx 1 . 1 . 43 . 1 1 4 SER HB2 H 47.843 14.763 2.890 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . rr_1awx 1 . 1 . 44 . 1 1 4 SER HB3 H 47.607 14.448 1.174 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . rr_1awx 1 . 1 . 45 . 1 1 4 SER HG H 49.658 13.445 2.865 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . rr_1awx 1 . 1 . 46 . 1 1 4 SER N N 48.393 16.895 1.390 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . rr_1awx 1 . 1 . 47 . 1 1 4 SER O O 51.135 14.789 0.403 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . rr_1awx 1 . 1 . 48 . 1 1 4 SER OG O 49.100 13.361 2.088 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . rr_1awx 1 . 1 . 49 . 1 1 5 THR C C 51.731 16.085 -2.038 . . . 1.0 . . . . . . . . . . . . A . 5 THR C . . . . . . . . . rr_1awx 1 . 1 . 50 . 1 1 5 THR CA C 50.309 15.511 -2.083 . . . 1.0 . . . . . . . . . . . . A . 5 THR CA . . . . . . . . . rr_1awx 1 . 1 . 51 . 1 1 5 THR CB C 49.488 16.206 -3.171 . . . 1.0 . . . . . . . . . . . . A . 5 THR CB . . . . . . . . . rr_1awx 1 . 1 . 52 . 1 1 5 THR CG2 C 48.213 15.405 -3.440 . . . 1.0 . . . . . . . . . . . . A . 5 THR CG2 . . . . . . . . . rr_1awx 1 . 1 . 53 . 1 1 5 THR H H 48.731 16.275 -0.821 . . . 1.0 . . . . . . . . . . . . A . 5 THR H . . . . . . . . . rr_1awx 1 . 1 . 54 . 1 1 5 THR HA H 50.340 14.449 -2.270 . . . 1.0 . . . . . . . . . . . . A . 5 THR HA . . . . . . . . . rr_1awx 1 . 1 . 55 . 1 1 5 THR HB H 50.068 16.267 -4.078 . . . 1.0 . . . . . . . . . . . . A . 5 THR HB . . . . . . . . . rr_1awx 1 . 1 . 56 . 1 1 5 THR HG1 H 49.182 18.099 -3.499 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG1 . . . . . . . . . rr_1awx 1 . 1 . 57 . 1 1 5 THR HG21 H 48.418 14.351 -3.320 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG21 . . . . . . . . . rr_1awx 1 . 1 . 58 . 1 1 5 THR HG22 H 47.446 15.704 -2.741 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG22 . . . . . . . . . rr_1awx 1 . 1 . 59 . 1 1 5 THR HG23 H 47.875 15.594 -4.448 . . . 1.0 . . . . . . . . . . . . A . 5 THR HG23 . . . . . . . . . rr_1awx 1 . 1 . 60 . 1 1 5 THR N N 49.584 15.792 -0.802 . . . 1.0 . . . . . . . . . . . . A . 5 THR N . . . . . . . . . rr_1awx 1 . 1 . 61 . 1 1 5 THR O O 52.615 15.624 -2.736 . . . 1.0 . . . . . . . . . . . . A . 5 THR O . . . . . . . . . rr_1awx 1 . 1 . 62 . 1 1 5 THR OG1 O 49.144 17.515 -2.738 . . . 1.0 . . . . . . . . . . . . A . 5 THR OG1 . . . . . . . . . rr_1awx 1 . 1 . 63 . 1 1 6 SER C C 54.343 16.638 -0.697 . . . 1.0 . . . . . . . . . . . . A . 6 SER C . . . . . . . . . rr_1awx 1 . 1 . 64 . 1 1 6 SER CA C 53.323 17.693 -1.130 . . . 1.0 . . . . . . . . . . . . A . 6 SER CA . . . . . . . . . rr_1awx 1 . 1 . 65 . 1 1 6 SER CB C 53.206 18.792 -0.073 . . . 1.0 . . . . . . . . . . . . A . 6 SER CB . . . . . . . . . rr_1awx 1 . 1 . 66 . 1 1 6 SER H H 51.227 17.439 -0.671 . . . 1.0 . . . . . . . . . . . . A . 6 SER H . . . . . . . . . rr_1awx 1 . 1 . 67 . 1 1 6 SER HA H 53.607 18.122 -2.075 . . . 1.0 . . . . . . . . . . . . A . 6 SER HA . . . . . . . . . rr_1awx 1 . 1 . 68 . 1 1 6 SER HB2 H 52.708 19.649 -0.495 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB2 . . . . . . . . . rr_1awx 1 . 1 . 69 . 1 1 6 SER HB3 H 52.631 18.423 0.767 . . . 1.0 . . . . . . . . . . . . A . 6 SER HB3 . . . . . . . . . rr_1awx 1 . 1 . 70 . 1 1 6 SER HG H 54.866 19.783 -0.289 . . . 1.0 . . . . . . . . . . . . A . 6 SER HG . . . . . . . . . rr_1awx 1 . 1 . 71 . 1 1 6 SER N N 51.956 17.086 -1.222 . . . 1.0 . . . . . . . . . . . . A . 6 SER N . . . . . . . . . rr_1awx 1 . 1 . 72 . 1 1 6 SER O O 55.156 16.187 -1.483 . . . 1.0 . . . . . . . . . . . . A . 6 SER O . . . . . . . . . rr_1awx 1 . 1 . 73 . 1 1 6 SER OG O 54.507 19.171 0.357 . . . 1.0 . . . . . . . . . . . . A . 6 SER OG . . . . . . . . . rr_1awx 1 . 1 . 74 . 1 1 7 GLU C C 54.623 13.824 0.995 . . . 1.0 . . . . . . . . . . . . A . 7 GLU C . . . . . . . . . rr_1awx 1 . 1 . 75 . 1 1 7 GLU CA C 55.263 15.216 1.048 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CA . . . . . . . . . rr_1awx 1 . 1 . 76 . 1 1 7 GLU CB C 55.559 15.622 2.493 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CB . . . . . . . . . rr_1awx 1 . 1 . 77 . 1 1 7 GLU CD C 58.052 15.767 2.396 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CD . . . . . . . . . rr_1awx 1 . 1 . 78 . 1 1 7 GLU CG C 56.757 16.573 2.520 . . . 1.0 . . . . . . . . . . . . A . 7 GLU CG . . . . . . . . . rr_1awx 1 . 1 . 79 . 1 1 7 GLU H H 53.636 16.625 1.154 . . . 1.0 . . . . . . . . . . . . A . 7 GLU H . . . . . . . . . rr_1awx 1 . 1 . 80 . 1 1 7 GLU HA H 56.172 15.235 0.466 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HA . . . . . . . . . rr_1awx 1 . 1 . 81 . 1 1 7 GLU HB2 H 54.695 16.118 2.911 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB2 . . . . . . . . . rr_1awx 1 . 1 . 82 . 1 1 7 GLU HB3 H 55.787 14.742 3.075 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HB3 . . . . . . . . . rr_1awx 1 . 1 . 83 . 1 1 7 GLU HG2 H 56.684 17.268 1.696 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG2 . . . . . . . . . rr_1awx 1 . 1 . 84 . 1 1 7 GLU HG3 H 56.763 17.118 3.452 . . . 1.0 . . . . . . . . . . . . A . 7 GLU HG3 . . . . . . . . . rr_1awx 1 . 1 . 85 . 1 1 7 GLU N N 54.302 16.243 0.548 . . . 1.0 . . . . . . . . . . . . A . 7 GLU N . . . . . . . . . rr_1awx 1 . 1 . 86 . 1 1 7 GLU O O 54.349 13.217 2.014 . . . 1.0 . . . . . . . . . . . . A . 7 GLU O . . . . . . . . . rr_1awx 1 . 1 . 87 . 1 1 7 GLU OE1 O 58.136 14.720 3.016 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE1 . . . . . . . . . rr_1awx 1 . 1 . 88 . 1 1 7 GLU OE2 O 58.936 16.210 1.682 . . . 1.0 . . . . . . . . . . . . A . 7 GLU OE2 . . . . . . . . . rr_1awx 1 . 1 . 89 . 1 1 8 LEU C C 54.004 11.412 -1.729 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . rr_1awx 1 . 1 . 90 . 1 1 8 LEU CA C 53.761 11.968 -0.323 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . rr_1awx 1 . 1 . 91 . 1 1 8 LEU CB C 52.268 12.196 -0.085 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . rr_1awx 1 . 1 . 92 . 1 1 8 LEU CD1 C 51.472 10.397 1.455 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . rr_1awx 1 . 1 . 93 . 1 1 8 LEU CD2 C 50.137 10.988 -0.572 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . rr_1awx 1 . 1 . 94 . 1 1 8 LEU CG C 51.551 10.847 -0.005 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . rr_1awx 1 . 1 . 95 . 1 1 8 LEU H H 54.615 13.831 -0.992 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . rr_1awx 1 . 1 . 96 . 1 1 8 LEU HA H 54.155 11.296 0.423 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . rr_1awx 1 . 1 . 97 . 1 1 8 LEU HB2 H 52.129 12.734 0.842 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . rr_1awx 1 . 1 . 98 . 1 1 8 LEU HB3 H 51.857 12.772 -0.901 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . rr_1awx 1 . 1 . 99 . 1 1 8 LEU HD11 H 52.388 10.659 1.963 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . rr_1awx 1 . 1 . 100 . 1 1 8 LEU HD12 H 50.639 10.887 1.938 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . rr_1awx 1 . 1 . 101 . 1 1 8 LEU HD13 H 51.331 9.327 1.495 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . rr_1awx 1 . 1 . 102 . 1 1 8 LEU HD21 H 49.793 12.003 -0.436 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . rr_1awx 1 . 1 . 103 . 1 1 8 LEU HD22 H 50.145 10.749 -1.625 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . rr_1awx 1 . 1 . 104 . 1 1 8 LEU HD23 H 49.473 10.311 -0.054 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . rr_1awx 1 . 1 . 105 . 1 1 8 LEU HG H 52.100 10.114 -0.578 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . rr_1awx 1 . 1 . 106 . 1 1 8 LEU N N 54.384 13.319 -0.189 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . rr_1awx 1 . 1 . 107 . 1 1 8 LEU O O 53.531 11.957 -2.709 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . rr_1awx 1 . 1 . 108 . 1 1 9 LYS C C 54.735 8.228 -3.144 . . . 1.0 . . . . . . . . . . . . A . 9 LYS C . . . . . . . . . rr_1awx 1 . 1 . 109 . 1 1 9 LYS CA C 55.015 9.733 -3.170 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CA . . . . . . . . . rr_1awx 1 . 1 . 110 . 1 1 9 LYS CB C 56.501 9.999 -3.422 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CB . . . . . . . . . rr_1awx 1 . 1 . 111 . 1 1 9 LYS CD C 57.959 11.943 -4.009 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CD . . . . . . . . . rr_1awx 1 . 1 . 112 . 1 1 9 LYS CE C 58.283 12.946 -5.118 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CE . . . . . . . . . rr_1awx 1 . 1 . 113 . 1 1 9 LYS CG C 56.659 11.210 -4.345 . . . 1.0 . . . . . . . . . . . . A . 9 LYS CG . . . . . . . . . rr_1awx 1 . 1 . 114 . 1 1 9 LYS H H 55.104 9.915 -1.024 . . . 1.0 . . . . . . . . . . . . A . 9 LYS H . . . . . . . . . rr_1awx 1 . 1 . 115 . 1 1 9 LYS HA H 54.419 10.214 -3.930 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HA . . . . . . . . . rr_1awx 1 . 1 . 116 . 1 1 9 LYS HB2 H 56.995 10.195 -2.482 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB2 . . . . . . . . . rr_1awx 1 . 1 . 117 . 1 1 9 LYS HB3 H 56.947 9.133 -3.889 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HB3 . . . . . . . . . rr_1awx 1 . 1 . 118 . 1 1 9 LYS HD2 H 57.844 12.467 -3.071 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD2 . . . . . . . . . rr_1awx 1 . 1 . 119 . 1 1 9 LYS HD3 H 58.764 11.228 -3.926 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HD3 . . . . . . . . . rr_1awx 1 . 1 . 120 . 1 1 9 LYS HE2 H 59.000 12.522 -5.809 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE2 . . . . . . . . . rr_1awx 1 . 1 . 121 . 1 1 9 LYS HE3 H 57.384 13.236 -5.638 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HE3 . . . . . . . . . rr_1awx 1 . 1 . 122 . 1 1 9 LYS HG2 H 56.687 10.878 -5.373 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG2 . . . . . . . . . rr_1awx 1 . 1 . 123 . 1 1 9 LYS HG3 H 55.824 11.880 -4.206 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HG3 . . . . . . . . . rr_1awx 1 . 1 . 124 . 1 1 9 LYS HZ1 H 59.685 13.815 -3.848 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ1 . . . . . . . . . rr_1awx 1 . 1 . 125 . 1 1 9 LYS HZ2 H 59.180 14.824 -5.114 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ2 . . . . . . . . . rr_1awx 1 . 1 . 126 . 1 1 9 LYS HZ3 H 58.151 14.544 -3.792 . . . 1.0 . . . . . . . . . . . . A . 9 LYS HZ3 . . . . . . . . . rr_1awx 1 . 1 . 127 . 1 1 9 LYS N N 54.736 10.333 -1.831 . . . 1.0 . . . . . . . . . . . . A . 9 LYS N . . . . . . . . . rr_1awx 1 . 1 . 128 . 1 1 9 LYS NZ N 58.869 14.121 -4.415 . . . 1.0 . . . . . . . . . . . . A . 9 LYS NZ . . . . . . . . . rr_1awx 1 . 1 . 129 . 1 1 9 LYS O O 54.121 7.720 -2.224 . . . 1.0 . . . . . . . . . . . . A . 9 LYS O . . . . . . . . . rr_1awx 1 . 1 . 130 . 1 1 10 LYS C C 56.197 5.288 -3.732 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . rr_1awx 1 . 1 . 131 . 1 1 10 LYS CA C 54.944 6.041 -4.191 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . rr_1awx 1 . 1 . 132 . 1 1 10 LYS CB C 54.636 5.734 -5.657 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . rr_1awx 1 . 1 . 133 . 1 1 10 LYS CD C 53.150 7.526 -6.572 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . rr_1awx 1 . 1 . 134 . 1 1 10 LYS CE C 53.552 7.460 -8.047 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . rr_1awx 1 . 1 . 135 . 1 1 10 LYS CG C 53.187 6.120 -5.969 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . rr_1awx 1 . 1 . 136 . 1 1 10 LYS H H 55.671 7.952 -4.875 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . rr_1awx 1 . 1 . 137 . 1 1 10 LYS HA H 54.099 5.777 -3.574 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . rr_1awx 1 . 1 . 138 . 1 1 10 LYS HB2 H 55.304 6.301 -6.290 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . rr_1awx 1 . 1 . 139 . 1 1 10 LYS HB3 H 54.773 4.680 -5.841 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . rr_1awx 1 . 1 . 140 . 1 1 10 LYS HD2 H 52.150 7.927 -6.487 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . rr_1awx 1 . 1 . 141 . 1 1 10 LYS HD3 H 53.841 8.164 -6.041 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . rr_1awx 1 . 1 . 142 . 1 1 10 LYS HE2 H 54.625 7.361 -8.139 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . rr_1awx 1 . 1 . 143 . 1 1 10 LYS HE3 H 53.053 6.639 -8.537 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . rr_1awx 1 . 1 . 144 . 1 1 10 LYS HG2 H 52.771 5.414 -6.674 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . rr_1awx 1 . 1 . 145 . 1 1 10 LYS HG3 H 52.606 6.105 -5.059 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . rr_1awx 1 . 1 . 146 . 1 1 10 LYS HZ1 H 52.102 8.918 -8.371 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . rr_1awx 1 . 1 . 147 . 1 1 10 LYS HZ2 H 53.684 9.527 -8.256 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . rr_1awx 1 . 1 . 148 . 1 1 10 LYS HZ3 H 53.182 8.719 -9.663 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ3 . . . . . . . . . rr_1awx 1 . 1 . 149 . 1 1 10 LYS N N 55.181 7.515 -4.147 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . rr_1awx 1 . 1 . 150 . 1 1 10 LYS NZ N 53.096 8.754 -8.628 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . rr_1awx 1 . 1 . 151 . 1 1 10 LYS O O 57.160 5.883 -3.288 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . rr_1awx 1 . 1 . 152 . 1 1 11 VAL C C 57.428 1.863 -4.192 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . rr_1awx 1 . 1 . 153 . 1 1 11 VAL CA C 57.378 3.177 -3.413 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . rr_1awx 1 . 1 . 154 . 1 1 11 VAL CB C 57.202 2.899 -1.914 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . rr_1awx 1 . 1 . 155 . 1 1 11 VAL CG1 C 57.395 4.196 -1.128 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . rr_1awx 1 . 1 . 156 . 1 1 11 VAL CG2 C 55.807 2.327 -1.637 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . rr_1awx 1 . 1 . 157 . 1 1 11 VAL H H 55.402 3.530 -4.205 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . rr_1awx 1 . 1 . 158 . 1 1 11 VAL HA H 58.284 3.739 -3.575 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . rr_1awx 1 . 1 . 159 . 1 1 11 VAL HB H 57.950 2.184 -1.600 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . rr_1awx 1 . 1 . 160 . 1 1 11 VAL HG11 H 58.316 4.670 -1.436 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . rr_1awx 1 . 1 . 161 . 1 1 11 VAL HG12 H 56.569 4.860 -1.320 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . rr_1awx 1 . 1 . 162 . 1 1 11 VAL HG13 H 57.441 3.974 -0.073 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . rr_1awx 1 . 1 . 163 . 1 1 11 VAL HG21 H 55.579 1.568 -2.371 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . rr_1awx 1 . 1 . 164 . 1 1 11 VAL HG22 H 55.787 1.891 -0.650 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . rr_1awx 1 . 1 . 165 . 1 1 11 VAL HG23 H 55.076 3.119 -1.697 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . rr_1awx 1 . 1 . 166 . 1 1 11 VAL N N 56.189 3.983 -3.840 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . rr_1awx 1 . 1 . 167 . 1 1 11 VAL O O 56.432 1.402 -4.708 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . rr_1awx 1 . 1 . 168 . 1 1 12 VAL C C 58.641 -1.195 -4.015 . . . 1.0 . . . . . . . . . . . . A . 12 VAL C . . . . . . . . . rr_1awx 1 . 1 . 169 . 1 1 12 VAL CA C 58.723 -0.024 -5.019 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CA . . . . . . . . . rr_1awx 1 . 1 . 170 . 1 1 12 VAL CB C 60.113 0.112 -5.713 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CB . . . . . . . . . rr_1awx 1 . 1 . 171 . 1 1 12 VAL CG1 C 60.988 -1.148 -5.596 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CG1 . . . . . . . . . rr_1awx 1 . 1 . 172 . 1 1 12 VAL CG2 C 59.905 0.414 -7.195 . . . 1.0 . . . . . . . . . . . . A . 12 VAL CG2 . . . . . . . . . rr_1awx 1 . 1 . 173 . 1 1 12 VAL H H 59.371 1.657 -3.842 . . . 1.0 . . . . . . . . . . . . A . 12 VAL H . . . . . . . . . rr_1awx 1 . 1 . 174 . 1 1 12 VAL HA H 57.941 -0.103 -5.767 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HA . . . . . . . . . rr_1awx 1 . 1 . 175 . 1 1 12 VAL HB H 60.638 0.934 -5.267 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HB . . . . . . . . . rr_1awx 1 . 1 . 176 . 1 1 12 VAL HG11 H 61.035 -1.461 -4.564 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG11 . . . . . . . . . rr_1awx 1 . 1 . 177 . 1 1 12 VAL HG12 H 60.564 -1.938 -6.196 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG12 . . . . . . . . . rr_1awx 1 . 1 . 178 . 1 1 12 VAL HG13 H 61.983 -0.924 -5.948 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG13 . . . . . . . . . rr_1awx 1 . 1 . 179 . 1 1 12 VAL HG21 H 59.141 1.167 -7.302 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG21 . . . . . . . . . rr_1awx 1 . 1 . 180 . 1 1 12 VAL HG22 H 60.829 0.775 -7.620 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG22 . . . . . . . . . rr_1awx 1 . 1 . 181 . 1 1 12 VAL HG23 H 59.602 -0.488 -7.706 . . . 1.0 . . . . . . . . . . . . A . 12 VAL HG23 . . . . . . . . . rr_1awx 1 . 1 . 182 . 1 1 12 VAL N N 58.584 1.262 -4.274 . . . 1.0 . . . . . . . . . . . . A . 12 VAL N . . . . . . . . . rr_1awx 1 . 1 . 183 . 1 1 12 VAL O O 58.502 -0.989 -2.826 . . . 1.0 . . . . . . . . . . . . A . 12 VAL O . . . . . . . . . rr_1awx 1 . 1 . 184 . 1 1 13 ALA C C 59.935 -4.448 -3.758 . . . 1.0 . . . . . . . . . . . . A . 13 ALA C . . . . . . . . . rr_1awx 1 . 1 . 185 . 1 1 13 ALA CA C 58.679 -3.592 -3.577 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CA . . . . . . . . . rr_1awx 1 . 1 . 186 . 1 1 13 ALA CB C 57.439 -4.372 -4.011 . . . 1.0 . . . . . . . . . . . . A . 13 ALA CB . . . . . . . . . rr_1awx 1 . 1 . 187 . 1 1 13 ALA H H 58.851 -2.548 -5.451 . . . 1.0 . . . . . . . . . . . . A . 13 ALA H . . . . . . . . . rr_1awx 1 . 1 . 188 . 1 1 13 ALA HA H 58.579 -3.275 -2.552 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HA . . . . . . . . . rr_1awx 1 . 1 . 189 . 1 1 13 ALA HB1 H 56.674 -3.684 -4.334 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB1 . . . . . . . . . rr_1awx 1 . 1 . 190 . 1 1 13 ALA HB2 H 57.696 -5.033 -4.826 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB2 . . . . . . . . . rr_1awx 1 . 1 . 191 . 1 1 13 ALA HB3 H 57.072 -4.954 -3.178 . . . 1.0 . . . . . . . . . . . . A . 13 ALA HB3 . . . . . . . . . rr_1awx 1 . 1 . 192 . 1 1 13 ALA N N 58.736 -2.411 -4.489 . . . 1.0 . . . . . . . . . . . . A . 13 ALA N . . . . . . . . . rr_1awx 1 . 1 . 193 . 1 1 13 ALA O O 60.336 -4.744 -4.869 . . . 1.0 . . . . . . . . . . . . A . 13 ALA O . . . . . . . . . rr_1awx 1 . 1 . 194 . 1 1 14 LEU C C 61.433 -7.168 -2.758 . . . 1.0 . . . . . . . . . . . . A . 14 LEU C . . . . . . . . . rr_1awx 1 . 1 . 195 . 1 1 14 LEU CA C 61.792 -5.682 -2.787 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CA . . . . . . . . . rr_1awx 1 . 1 . 196 . 1 1 14 LEU CB C 62.637 -5.304 -1.571 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CB . . . . . . . . . rr_1awx 1 . 1 . 197 . 1 1 14 LEU CD1 C 63.514 -3.316 -0.329 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CD1 . . . . . . . . . rr_1awx 1 . 1 . 198 . 1 1 14 LEU CD2 C 64.263 -3.762 -2.674 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CD2 . . . . . . . . . rr_1awx 1 . 1 . 199 . 1 1 14 LEU CG C 63.085 -3.847 -1.699 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CG . . . . . . . . . rr_1awx 1 . 1 . 200 . 1 1 14 LEU H H 60.216 -4.592 -1.796 . . . 1.0 . . . . . . . . . . . . A . 14 LEU H . . . . . . . . . rr_1awx 1 . 1 . 201 . 1 1 14 LEU HA H 62.326 -5.445 -3.690 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HA . . . . . . . . . rr_1awx 1 . 1 . 202 . 1 1 14 LEU HB2 H 62.051 -5.425 -0.672 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HB2 . . . . . . . . . rr_1awx 1 . 1 . 203 . 1 1 14 LEU HB3 H 63.506 -5.943 -1.523 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HB3 . . . . . . . . . rr_1awx 1 . 1 . 204 . 1 1 14 LEU HD11 H 63.774 -4.143 0.315 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD11 . . . . . . . . . rr_1awx 1 . 1 . 205 . 1 1 14 LEU HD12 H 64.370 -2.666 -0.444 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD12 . . . . . . . . . rr_1awx 1 . 1 . 206 . 1 1 14 LEU HD13 H 62.699 -2.760 0.110 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD13 . . . . . . . . . rr_1awx 1 . 1 . 207 . 1 1 14 LEU HD21 H 65.019 -4.479 -2.389 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD21 . . . . . . . . . rr_1awx 1 . 1 . 208 . 1 1 14 LEU HD22 H 63.919 -3.979 -3.674 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD22 . . . . . . . . . rr_1awx 1 . 1 . 209 . 1 1 14 LEU HD23 H 64.683 -2.767 -2.645 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD23 . . . . . . . . . rr_1awx 1 . 1 . 210 . 1 1 14 LEU HG H 62.264 -3.252 -2.073 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HG . . . . . . . . . rr_1awx 1 . 1 . 211 . 1 1 14 LEU N N 60.559 -4.846 -2.678 . . . 1.0 . . . . . . . . . . . . A . 14 LEU N . . . . . . . . . rr_1awx 1 . 1 . 212 . 1 1 14 LEU O O 61.532 -7.856 -3.756 . . . 1.0 . . . . . . . . . . . . A . 14 LEU O . . . . . . . . . rr_1awx 1 . 1 . 213 . 1 1 15 TYR C C 59.134 -9.274 -1.529 . . . 1.0 . . . . . . . . . . . . A . 15 TYR C . . . . . . . . . rr_1awx 1 . 1 . 214 . 1 1 15 TYR CA C 60.655 -9.110 -1.521 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CA . . . . . . . . . rr_1awx 1 . 1 . 215 . 1 1 15 TYR CB C 61.234 -9.581 -0.187 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CB . . . . . . . . . rr_1awx 1 . 1 . 216 . 1 1 15 TYR CD1 C 63.527 -10.266 -0.980 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CD1 . . . . . . . . . rr_1awx 1 . 1 . 217 . 1 1 15 TYR CD2 C 63.336 -8.417 0.578 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CD2 . . . . . . . . . rr_1awx 1 . 1 . 218 . 1 1 15 TYR CE1 C 64.919 -10.114 -0.989 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CE1 . . . . . . . . . rr_1awx 1 . 1 . 219 . 1 1 15 TYR CE2 C 64.728 -8.266 0.569 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CE2 . . . . . . . . . rr_1awx 1 . 1 . 220 . 1 1 15 TYR CG C 62.736 -9.417 -0.197 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CG . . . . . . . . . rr_1awx 1 . 1 . 221 . 1 1 15 TYR CZ C 65.520 -9.114 -0.214 . . . 1.0 . . . . . . . . . . . . A . 15 TYR CZ . . . . . . . . . rr_1awx 1 . 1 . 222 . 1 1 15 TYR H H 60.954 -7.085 -0.837 . . . 1.0 . . . . . . . . . . . . A . 15 TYR H . . . . . . . . . rr_1awx 1 . 1 . 223 . 1 1 15 TYR HA H 61.098 -9.667 -2.331 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HA . . . . . . . . . rr_1awx 1 . 1 . 224 . 1 1 15 TYR HB2 H 60.812 -8.995 0.613 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HB2 . . . . . . . . . rr_1awx 1 . 1 . 225 . 1 1 15 TYR HB3 H 60.988 -10.622 -0.037 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HB3 . . . . . . . . . rr_1awx 1 . 1 . 226 . 1 1 15 TYR HD1 H 63.064 -11.037 -1.577 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HD1 . . . . . . . . . rr_1awx 1 . 1 . 227 . 1 1 15 TYR HD2 H 62.726 -7.763 1.182 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HD2 . . . . . . . . . rr_1awx 1 . 1 . 228 . 1 1 15 TYR HE1 H 65.530 -10.769 -1.593 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HE1 . . . . . . . . . rr_1awx 1 . 1 . 229 . 1 1 15 TYR HE2 H 65.191 -7.494 1.166 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HE2 . . . . . . . . . rr_1awx 1 . 1 . 230 . 1 1 15 TYR HH H 67.132 -8.477 -1.014 . . . 1.0 . . . . . . . . . . . . A . 15 TYR HH . . . . . . . . . rr_1awx 1 . 1 . 231 . 1 1 15 TYR N N 61.021 -7.664 -1.623 . . . 1.0 . . . . . . . . . . . . A . 15 TYR N . . . . . . . . . rr_1awx 1 . 1 . 232 . 1 1 15 TYR O O 58.395 -8.310 -1.467 . . . 1.0 . . . . . . . . . . . . A . 15 TYR O . . . . . . . . . rr_1awx 1 . 1 . 233 . 1 1 15 TYR OH O 66.891 -8.965 -0.223 . . . 1.0 . . . . . . . . . . . . A . 15 TYR OH . . . . . . . . . rr_1awx 1 . 1 . 234 . 1 1 16 ASP C C 56.615 -10.659 -0.209 . . . 1.0 . . . . . . . . . . . . A . 16 ASP C . . . . . . . . . rr_1awx 1 . 1 . 235 . 1 1 16 ASP CA C 57.193 -10.740 -1.626 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CA . . . . . . . . . rr_1awx 1 . 1 . 236 . 1 1 16 ASP CB C 57.033 -12.152 -2.191 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CB . . . . . . . . . rr_1awx 1 . 1 . 237 . 1 1 16 ASP CG C 57.024 -12.092 -3.719 . . . 1.0 . . . . . . . . . . . . A . 16 ASP CG . . . . . . . . . rr_1awx 1 . 1 . 238 . 1 1 16 ASP H H 59.290 -11.246 -1.662 . . . 1.0 . . . . . . . . . . . . A . 16 ASP H . . . . . . . . . rr_1awx 1 . 1 . 239 . 1 1 16 ASP HA H 56.703 -10.030 -2.270 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HA . . . . . . . . . rr_1awx 1 . 1 . 240 . 1 1 16 ASP HB2 H 57.856 -12.768 -1.858 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HB2 . . . . . . . . . rr_1awx 1 . 1 . 241 . 1 1 16 ASP HB3 H 56.102 -12.576 -1.844 . . . 1.0 . . . . . . . . . . . . A . 16 ASP HB3 . . . . . . . . . rr_1awx 1 . 1 . 242 . 1 1 16 ASP N N 58.667 -10.492 -1.609 . . . 1.0 . . . . . . . . . . . . A . 16 ASP N . . . . . . . . . rr_1awx 1 . 1 . 243 . 1 1 16 ASP O O 57.316 -10.834 0.769 . . . 1.0 . . . . . . . . . . . . A . 16 ASP O . . . . . . . . . rr_1awx 1 . 1 . 244 . 1 1 16 ASP OD1 O 57.901 -11.448 -4.272 . . . 1.0 . . . . . . . . . . . . A . 16 ASP OD1 . . . . . . . . . rr_1awx 1 . 1 . 245 . 1 1 16 ASP OD2 O 56.141 -12.691 -4.311 . . . 1.0 . . . . . . . . . . . . A . 16 ASP OD2 . . . . . . . . . rr_1awx 1 . 1 . 246 . 1 1 17 TYR C C 53.165 -10.283 1.073 . . . 1.0 . . . . . . . . . . . . A . 17 TYR C . . . . . . . . . rr_1awx 1 . 1 . 247 . 1 1 17 TYR CA C 54.693 -10.292 1.244 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CA . . . . . . . . . rr_1awx 1 . 1 . 248 . 1 1 17 TYR CB C 55.225 -8.965 1.828 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CB . . . . . . . . . rr_1awx 1 . 1 . 249 . 1 1 17 TYR CD1 C 53.907 -9.381 3.958 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CD1 . . . . . . . . . rr_1awx 1 . 1 . 250 . 1 1 17 TYR CD2 C 54.057 -7.120 3.094 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CD2 . . . . . . . . . rr_1awx 1 . 1 . 251 . 1 1 17 TYR CE1 C 53.122 -8.920 5.022 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CE1 . . . . . . . . . rr_1awx 1 . 1 . 252 . 1 1 17 TYR CE2 C 53.273 -6.660 4.157 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CE2 . . . . . . . . . rr_1awx 1 . 1 . 253 . 1 1 17 TYR CG C 54.375 -8.479 2.992 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CG . . . . . . . . . rr_1awx 1 . 1 . 254 . 1 1 17 TYR CZ C 52.805 -7.560 5.121 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CZ . . . . . . . . . rr_1awx 1 . 1 . 255 . 1 1 17 TYR H H 54.797 -10.253 -0.906 . . . 1.0 . . . . . . . . . . . . A . 17 TYR H . . . . . . . . . rr_1awx 1 . 1 . 256 . 1 1 17 TYR HA H 54.997 -11.119 1.868 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HA . . . . . . . . . rr_1awx 1 . 1 . 257 . 1 1 17 TYR HB2 H 56.237 -9.113 2.172 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HB2 . . . . . . . . . rr_1awx 1 . 1 . 258 . 1 1 17 TYR HB3 H 55.226 -8.215 1.052 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HB3 . . . . . . . . . rr_1awx 1 . 1 . 259 . 1 1 17 TYR HD1 H 54.151 -10.430 3.882 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HD1 . . . . . . . . . rr_1awx 1 . 1 . 260 . 1 1 17 TYR HD2 H 54.420 -6.426 2.351 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HD2 . . . . . . . . . rr_1awx 1 . 1 . 261 . 1 1 17 TYR HE1 H 52.760 -9.613 5.767 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HE1 . . . . . . . . . rr_1awx 1 . 1 . 262 . 1 1 17 TYR HE2 H 53.028 -5.610 4.233 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HE2 . . . . . . . . . rr_1awx 1 . 1 . 263 . 1 1 17 TYR HH H 52.542 -7.197 6.977 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HH . . . . . . . . . rr_1awx 1 . 1 . 264 . 1 1 17 TYR N N 55.337 -10.391 -0.099 . . . 1.0 . . . . . . . . . . . . A . 17 TYR N . . . . . . . . . rr_1awx 1 . 1 . 265 . 1 1 17 TYR O O 52.560 -9.247 0.872 . . . 1.0 . . . . . . . . . . . . A . 17 TYR O . . . . . . . . . rr_1awx 1 . 1 . 266 . 1 1 17 TYR OH O 52.031 -7.106 6.170 . . . 1.0 . . . . . . . . . . . . A . 17 TYR OH . . . . . . . . . rr_1awx 1 . 1 . 267 . 1 1 18 MET C C 50.358 -11.129 2.301 . . . 1.0 . . . . . . . . . . . . A . 18 MET C . . . . . . . . . rr_1awx 1 . 1 . 268 . 1 1 18 MET CA C 51.065 -11.512 0.988 . . . 1.0 . . . . . . . . . . . . A . 18 MET CA . . . . . . . . . rr_1awx 1 . 1 . 269 . 1 1 18 MET CB C 50.777 -12.970 0.630 . . . 1.0 . . . . . . . . . . . . A . 18 MET CB . . . . . . . . . rr_1awx 1 . 1 . 270 . 1 1 18 MET CE C 51.076 -15.905 -0.478 . . . 1.0 . . . . . . . . . . . . A . 18 MET CE . . . . . . . . . rr_1awx 1 . 1 . 271 . 1 1 18 MET CG C 51.131 -13.215 -0.838 . . . 1.0 . . . . . . . . . . . . A . 18 MET CG . . . . . . . . . rr_1awx 1 . 1 . 272 . 1 1 18 MET H H 53.064 -12.253 1.308 . . . 1.0 . . . . . . . . . . . . A . 18 MET H . . . . . . . . . rr_1awx 1 . 1 . 273 . 1 1 18 MET HA H 50.736 -10.864 0.188 . . . 1.0 . . . . . . . . . . . . A . 18 MET HA . . . . . . . . . rr_1awx 1 . 1 . 274 . 1 1 18 MET HB2 H 51.372 -13.619 1.257 . . . 1.0 . . . . . . . . . . . . A . 18 MET HB2 . . . . . . . . . rr_1awx 1 . 1 . 275 . 1 1 18 MET HB3 H 49.730 -13.180 0.785 . . . 1.0 . . . . . . . . . . . . A . 18 MET HB3 . . . . . . . . . rr_1awx 1 . 1 . 276 . 1 1 18 MET HE1 H 52.141 -15.794 -0.610 . . . 1.0 . . . . . . . . . . . . A . 18 MET HE1 . . . . . . . . . rr_1awx 1 . 1 . 277 . 1 1 18 MET HE2 H 50.831 -15.782 0.568 . . . 1.0 . . . . . . . . . . . . A . 18 MET HE2 . . . . . . . . . rr_1awx 1 . 1 . 278 . 1 1 18 MET HE3 H 50.774 -16.888 -0.811 . . . 1.0 . . . . . . . . . . . . A . 18 MET HE3 . . . . . . . . . rr_1awx 1 . 1 . 279 . 1 1 18 MET HG2 H 50.870 -12.344 -1.421 . . . 1.0 . . . . . . . . . . . . A . 18 MET HG2 . . . . . . . . . rr_1awx 1 . 1 . 280 . 1 1 18 MET HG3 H 52.191 -13.403 -0.927 . . . 1.0 . . . . . . . . . . . . A . 18 MET HG3 . . . . . . . . . rr_1awx 1 . 1 . 281 . 1 1 18 MET N N 52.549 -11.435 1.148 . . . 1.0 . . . . . . . . . . . . A . 18 MET N . . . . . . . . . rr_1awx 1 . 1 . 282 . 1 1 18 MET O O 50.983 -11.106 3.342 . . . 1.0 . . . . . . . . . . . . A . 18 MET O . . . . . . . . . rr_1awx 1 . 1 . 283 . 1 1 18 MET SD S 50.210 -14.648 -1.450 . . . 1.0 . . . . . . . . . . . . A . 18 MET SD . . . . . . . . . rr_1awx 1 . 1 . 284 . 1 1 19 PRO C C 48.138 -11.639 4.371 . . . 1.0 . . . . . . . . . . . . A . 19 PRO C . . . . . . . . . rr_1awx 1 . 1 . 285 . 1 1 19 PRO CA C 48.308 -10.442 3.430 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CA . . . . . . . . . rr_1awx 1 . 1 . 286 . 1 1 19 PRO CB C 46.957 -10.004 2.847 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CB . . . . . . . . . rr_1awx 1 . 1 . 287 . 1 1 19 PRO CD C 48.313 -10.858 0.938 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CD . . . . . . . . . rr_1awx 1 . 1 . 288 . 1 1 19 PRO CG C 47.004 -10.167 1.316 . . . 1.0 . . . . . . . . . . . . A . 19 PRO CG . . . . . . . . . rr_1awx 1 . 1 . 289 . 1 1 19 PRO HA H 48.780 -9.616 3.935 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HA . . . . . . . . . rr_1awx 1 . 1 . 290 . 1 1 19 PRO HB2 H 46.167 -10.620 3.255 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HB2 . . . . . . . . . rr_1awx 1 . 1 . 291 . 1 1 19 PRO HB3 H 46.774 -8.969 3.093 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HB3 . . . . . . . . . rr_1awx 1 . 1 . 292 . 1 1 19 PRO HD2 H 48.128 -11.875 0.617 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HD2 . . . . . . . . . rr_1awx 1 . 1 . 293 . 1 1 19 PRO HD3 H 48.836 -10.302 0.180 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HD3 . . . . . . . . . rr_1awx 1 . 1 . 294 . 1 1 19 PRO HG2 H 46.171 -10.767 0.986 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HG2 . . . . . . . . . rr_1awx 1 . 1 . 295 . 1 1 19 PRO HG3 H 46.966 -9.196 0.845 . . . 1.0 . . . . . . . . . . . . A . 19 PRO HG3 . . . . . . . . . rr_1awx 1 . 1 . 296 . 1 1 19 PRO N N 49.072 -10.831 2.219 . . . 1.0 . . . . . . . . . . . . A . 19 PRO N . . . . . . . . . rr_1awx 1 . 1 . 297 . 1 1 19 PRO O O 48.341 -12.776 3.987 . . . 1.0 . . . . . . . . . . . . A . 19 PRO O . . . . . . . . . rr_1awx 1 . 1 . 298 . 1 1 20 MET C C 46.086 -12.579 6.964 . . . 1.0 . . . . . . . . . . . . A . 20 MET C . . . . . . . . . rr_1awx 1 . 1 . 299 . 1 1 20 MET CA C 47.562 -12.499 6.575 . . . 1.0 . . . . . . . . . . . . A . 20 MET CA . . . . . . . . . rr_1awx 1 . 1 . 300 . 1 1 20 MET CB C 48.412 -12.125 7.791 . . . 1.0 . . . . . . . . . . . . A . 20 MET CB . . . . . . . . . rr_1awx 1 . 1 . 301 . 1 1 20 MET CE C 52.274 -13.192 7.764 . . . 1.0 . . . . . . . . . . . . A . 20 MET CE . . . . . . . . . rr_1awx 1 . 1 . 302 . 1 1 20 MET CG C 49.877 -11.979 7.372 . . . 1.0 . . . . . . . . . . . . A . 20 MET CG . . . . . . . . . rr_1awx 1 . 1 . 303 . 1 1 20 MET H H 47.597 -10.461 5.875 . . . 1.0 . . . . . . . . . . . . A . 20 MET H . . . . . . . . . rr_1awx 1 . 1 . 304 . 1 1 20 MET HA H 47.897 -13.435 6.158 . . . 1.0 . . . . . . . . . . . . A . 20 MET HA . . . . . . . . . rr_1awx 1 . 1 . 305 . 1 1 20 MET HB2 H 48.060 -11.190 8.202 . . . 1.0 . . . . . . . . . . . . A . 20 MET HB2 . . . . . . . . . rr_1awx 1 . 1 . 306 . 1 1 20 MET HB3 H 48.329 -12.900 8.539 . . . 1.0 . . . . . . . . . . . . A . 20 MET HB3 . . . . . . . . . rr_1awx 1 . 1 . 307 . 1 1 20 MET HE1 H 51.990 -13.186 6.721 . . . 1.0 . . . . . . . . . . . . A . 20 MET HE1 . . . . . . . . . rr_1awx 1 . 1 . 308 . 1 1 20 MET HE2 H 53.184 -12.628 7.891 . . . 1.0 . . . . . . . . . . . . A . 20 MET HE2 . . . . . . . . . rr_1awx 1 . 1 . 309 . 1 1 20 MET HE3 H 52.435 -14.210 8.093 . . . 1.0 . . . . . . . . . . . . A . 20 MET HE3 . . . . . . . . . rr_1awx 1 . 1 . 310 . 1 1 20 MET HG2 H 50.073 -12.623 6.528 . . . 1.0 . . . . . . . . . . . . A . 20 MET HG2 . . . . . . . . . rr_1awx 1 . 1 . 311 . 1 1 20 MET HG3 H 50.068 -10.953 7.094 . . . 1.0 . . . . . . . . . . . . A . 20 MET HG3 . . . . . . . . . rr_1awx 1 . 1 . 312 . 1 1 20 MET N N 47.759 -11.386 5.597 . . . 1.0 . . . . . . . . . . . . A . 20 MET N . . . . . . . . . rr_1awx 1 . 1 . 313 . 1 1 20 MET O O 45.485 -13.637 6.955 . . . 1.0 . . . . . . . . . . . . A . 20 MET O . . . . . . . . . rr_1awx 1 . 1 . 314 . 1 1 20 MET SD S 50.954 -12.444 8.751 . . . 1.0 . . . . . . . . . . . . A . 20 MET SD . . . . . . . . . rr_1awx 1 . 1 . 315 . 1 1 21 ASN C C 43.301 -10.433 6.825 . . . 1.0 . . . . . . . . . . . . A . 21 ASN C . . . . . . . . . rr_1awx 1 . 1 . 316 . 1 1 21 ASN CA C 44.062 -11.440 7.688 . . . 1.0 . . . . . . . . . . . . A . 21 ASN CA . . . . . . . . . rr_1awx 1 . 1 . 317 . 1 1 21 ASN CB C 44.052 -11.007 9.154 . . . 1.0 . . . . . . . . . . . . A . 21 ASN CB . . . . . . . . . rr_1awx 1 . 1 . 318 . 1 1 21 ASN CG C 44.196 -12.238 10.051 . . . 1.0 . . . . . . . . . . . . A . 21 ASN CG . . . . . . . . . rr_1awx 1 . 1 . 319 . 1 1 21 ASN H H 46.017 -10.624 7.291 . . . 1.0 . . . . . . . . . . . . A . 21 ASN H . . . . . . . . . rr_1awx 1 . 1 . 320 . 1 1 21 ASN HA H 43.632 -12.421 7.589 . . . 1.0 . . . . . . . . . . . . A . 21 ASN HA . . . . . . . . . rr_1awx 1 . 1 . 321 . 1 1 21 ASN HB2 H 44.876 -10.331 9.335 . . . 1.0 . . . . . . . . . . . . A . 21 ASN HB2 . . . . . . . . . rr_1awx 1 . 1 . 322 . 1 1 21 ASN HB3 H 43.121 -10.509 9.377 . . . 1.0 . . . . . . . . . . . . A . 21 ASN HB3 . . . . . . . . . rr_1awx 1 . 1 . 323 . 1 1 21 ASN HD21 H 45.180 -11.262 11.474 . . . 1.0 . . . . . . . . . . . . A . 21 ASN HD21 . . . . . . . . . rr_1awx 1 . 1 . 324 . 1 1 21 ASN HD22 H 44.910 -12.911 11.778 . . . 1.0 . . . . . . . . . . . . A . 21 ASN HD22 . . . . . . . . . rr_1awx 1 . 1 . 325 . 1 1 21 ASN N N 45.503 -11.459 7.299 . . . 1.0 . . . . . . . . . . . . A . 21 ASN N . . . . . . . . . rr_1awx 1 . 1 . 326 . 1 1 21 ASN ND2 N 44.813 -12.128 11.196 . . . 1.0 . . . . . . . . . . . . A . 21 ASN ND2 . . . . . . . . . rr_1awx 1 . 1 . 327 . 1 1 21 ASN O O 42.323 -10.765 6.181 . . . 1.0 . . . . . . . . . . . . A . 21 ASN O . . . . . . . . . rr_1awx 1 . 1 . 328 . 1 1 21 ASN OD1 O 43.742 -13.311 9.707 . . . 1.0 . . . . . . . . . . . . A . 21 ASN OD1 . . . . . . . . . rr_1awx 1 . 1 . 329 . 1 1 22 ALA C C 43.909 -6.878 5.956 . . . 1.0 . . . . . . . . . . . . A . 22 ALA C . . . . . . . . . rr_1awx 1 . 1 . 330 . 1 1 22 ALA CA C 43.068 -8.156 5.989 . . . 1.0 . . . . . . . . . . . . A . 22 ALA CA . . . . . . . . . rr_1awx 1 . 1 . 331 . 1 1 22 ALA CB C 41.734 -7.898 6.693 . . . 1.0 . . . . . . . . . . . . A . 22 ALA CB . . . . . . . . . rr_1awx 1 . 1 . 332 . 1 1 22 ALA H H 44.540 -8.976 7.337 . . . 1.0 . . . . . . . . . . . . A . 22 ALA H . . . . . . . . . rr_1awx 1 . 1 . 333 . 1 1 22 ALA HA H 42.893 -8.516 4.990 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HA . . . . . . . . . rr_1awx 1 . 1 . 334 . 1 1 22 ALA HB1 H 41.837 -8.109 7.747 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HB1 . . . . . . . . . rr_1awx 1 . 1 . 335 . 1 1 22 ALA HB2 H 41.450 -6.865 6.559 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HB2 . . . . . . . . . rr_1awx 1 . 1 . 336 . 1 1 22 ALA HB3 H 40.973 -8.538 6.270 . . . 1.0 . . . . . . . . . . . . A . 22 ALA HB3 . . . . . . . . . rr_1awx 1 . 1 . 337 . 1 1 22 ALA N N 43.749 -9.206 6.809 . . . 1.0 . . . . . . . . . . . . A . 22 ALA N . . . . . . . . . rr_1awx 1 . 1 . 338 . 1 1 22 ALA O O 44.024 -6.225 4.937 . . . 1.0 . . . . . . . . . . . . A . 22 ALA O . . . . . . . . . rr_1awx 1 . 1 . 339 . 1 1 23 ASN C C 46.492 -5.356 6.144 . . . 1.0 . . . . . . . . . . . . A . 23 ASN C . . . . . . . . . rr_1awx 1 . 1 . 340 . 1 1 23 ASN CA C 45.333 -5.282 7.122 . . . 1.0 . . . . . . . . . . . . A . 23 ASN CA . . . . . . . . . rr_1awx 1 . 1 . 341 . 1 1 23 ASN CB C 45.901 -5.229 8.533 . . . 1.0 . . . . . . . . . . . . A . 23 ASN CB . . . . . . . . . rr_1awx 1 . 1 . 342 . 1 1 23 ASN CG C 44.976 -4.412 9.436 . . . 1.0 . . . . . . . . . . . . A . 23 ASN CG . . . . . . . . . rr_1awx 1 . 1 . 343 . 1 1 23 ASN H H 44.379 -7.069 7.872 . . . 1.0 . . . . . . . . . . . . A . 23 ASN H . . . . . . . . . rr_1awx 1 . 1 . 344 . 1 1 23 ASN HA H 44.736 -4.413 6.941 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HA . . . . . . . . . rr_1awx 1 . 1 . 345 . 1 1 23 ASN HB2 H 45.976 -6.232 8.913 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HB2 . . . . . . . . . rr_1awx 1 . 1 . 346 . 1 1 23 ASN HB3 H 46.889 -4.776 8.503 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HB3 . . . . . . . . . rr_1awx 1 . 1 . 347 . 1 1 23 ASN HD21 H 44.913 -5.793 10.860 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HD21 . . . . . . . . . rr_1awx 1 . 1 . 348 . 1 1 23 ASN HD22 H 44.010 -4.390 11.170 . . . 1.0 . . . . . . . . . . . . A . 23 ASN HD22 . . . . . . . . . rr_1awx 1 . 1 . 349 . 1 1 23 ASN N N 44.494 -6.521 7.069 . . . 1.0 . . . . . . . . . . . . A . 23 ASN N . . . . . . . . . rr_1awx 1 . 1 . 350 . 1 1 23 ASN ND2 N 44.602 -4.906 10.584 . . . 1.0 . . . . . . . . . . . . A . 23 ASN ND2 . . . . . . . . . rr_1awx 1 . 1 . 351 . 1 1 23 ASN O O 46.653 -4.513 5.285 . . . 1.0 . . . . . . . . . . . . A . 23 ASN O . . . . . . . . . rr_1awx 1 . 1 . 352 . 1 1 23 ASN OD1 O 44.591 -3.312 9.093 . . . 1.0 . . . . . . . . . . . . A . 23 ASN OD1 . . . . . . . . . rr_1awx 1 . 1 . 353 . 1 1 24 ASP C C 48.202 -6.314 3.962 . . . 1.0 . . . . . . . . . . . . A . 24 ASP C . . . . . . . . . rr_1awx 1 . 1 . 354 . 1 1 24 ASP CA C 48.538 -6.482 5.452 . . . 1.0 . . . . . . . . . . . . A . 24 ASP CA . . . . . . . . . rr_1awx 1 . 1 . 355 . 1 1 24 ASP CB C 49.065 -7.892 5.724 . . . 1.0 . . . . . . . . . . . . A . 24 ASP CB . . . . . . . . . rr_1awx 1 . 1 . 356 . 1 1 24 ASP CG C 49.588 -7.978 7.160 . . . 1.0 . . . . . . . . . . . . A . 24 ASP CG . . . . . . . . . rr_1awx 1 . 1 . 357 . 1 1 24 ASP H H 47.180 -6.975 7.048 . . . 1.0 . . . . . . . . . . . . A . 24 ASP H . . . . . . . . . rr_1awx 1 . 1 . 358 . 1 1 24 ASP HA H 49.270 -5.756 5.757 . . . 1.0 . . . . . . . . . . . . A . 24 ASP HA . . . . . . . . . rr_1awx 1 . 1 . 359 . 1 1 24 ASP HB2 H 48.266 -8.606 5.587 . . . 1.0 . . . . . . . . . . . . A . 24 ASP HB2 . . . . . . . . . rr_1awx 1 . 1 . 360 . 1 1 24 ASP HB3 H 49.868 -8.115 5.038 . . . 1.0 . . . . . . . . . . . . A . 24 ASP HB3 . . . . . . . . . rr_1awx 1 . 1 . 361 . 1 1 24 ASP N N 47.329 -6.341 6.316 . . . 1.0 . . . . . . . . . . . . A . 24 ASP N . . . . . . . . . rr_1awx 1 . 1 . 362 . 1 1 24 ASP O O 47.194 -6.800 3.484 . . . 1.0 . . . . . . . . . . . . A . 24 ASP O . . . . . . . . . rr_1awx 1 . 1 . 363 . 1 1 24 ASP OD1 O 49.021 -7.320 8.018 . . . 1.0 . . . . . . . . . . . . A . 24 ASP OD1 . . . . . . . . . rr_1awx 1 . 1 . 364 . 1 1 24 ASP OD2 O 50.546 -8.701 7.378 . . . 1.0 . . . . . . . . . . . . A . 24 ASP OD2 . . . . . . . . . rr_1awx 1 . 1 . 365 . 1 1 25 LEU C C 49.548 -6.485 0.976 . . . 1.0 . . . . . . . . . . . . A . 25 LEU C . . . . . . . . . rr_1awx 1 . 1 . 366 . 1 1 25 LEU CA C 48.796 -5.420 1.780 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CA . . . . . . . . . rr_1awx 1 . 1 . 367 . 1 1 25 LEU CB C 49.335 -4.016 1.479 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CB . . . . . . . . . rr_1awx 1 . 1 . 368 . 1 1 25 LEU CD1 C 47.468 -2.868 0.259 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD1 . . . . . . . . . rr_1awx 1 . 1 . 369 . 1 1 25 LEU CD2 C 49.825 -2.577 -0.514 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD2 . . . . . . . . . rr_1awx 1 . 1 . 370 . 1 1 25 LEU CG C 48.827 -3.559 0.105 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CG . . . . . . . . . rr_1awx 1 . 1 . 371 . 1 1 25 LEU H H 49.851 -5.253 3.648 . . . 1.0 . . . . . . . . . . . . A . 25 LEU H . . . . . . . . . rr_1awx 1 . 1 . 372 . 1 1 25 LEU HA H 47.739 -5.465 1.570 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HA . . . . . . . . . rr_1awx 1 . 1 . 373 . 1 1 25 LEU HB2 H 48.995 -3.327 2.240 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB2 . . . . . . . . . rr_1awx 1 . 1 . 374 . 1 1 25 LEU HB3 H 50.412 -4.036 1.477 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB3 . . . . . . . . . rr_1awx 1 . 1 . 375 . 1 1 25 LEU HD11 H 46.949 -3.276 1.113 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD11 . . . . . . . . . rr_1awx 1 . 1 . 376 . 1 1 25 LEU HD12 H 47.618 -1.807 0.401 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD12 . . . . . . . . . rr_1awx 1 . 1 . 377 . 1 1 25 LEU HD13 H 46.879 -3.031 -0.632 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD13 . . . . . . . . . rr_1awx 1 . 1 . 378 . 1 1 25 LEU HD21 H 50.808 -2.756 -0.107 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD21 . . . . . . . . . rr_1awx 1 . 1 . 379 . 1 1 25 LEU HD22 H 49.848 -2.715 -1.584 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD22 . . . . . . . . . rr_1awx 1 . 1 . 380 . 1 1 25 LEU HD23 H 49.521 -1.564 -0.290 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD23 . . . . . . . . . rr_1awx 1 . 1 . 381 . 1 1 25 LEU HG H 48.719 -4.419 -0.540 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HG . . . . . . . . . rr_1awx 1 . 1 . 382 . 1 1 25 LEU N N 49.046 -5.629 3.234 . . . 1.0 . . . . . . . . . . . . A . 25 LEU N . . . . . . . . . rr_1awx 1 . 1 . 383 . 1 1 25 LEU O O 50.630 -6.900 1.346 . . . 1.0 . . . . . . . . . . . . A . 25 LEU O . . . . . . . . . rr_1awx 1 . 1 . 384 . 1 1 26 GLN C C 50.808 -7.403 -1.727 . . . 1.0 . . . . . . . . . . . . A . 26 GLN C . . . . . . . . . rr_1awx 1 . 1 . 385 . 1 1 26 GLN CA C 49.647 -7.995 -0.929 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CA . . . . . . . . . rr_1awx 1 . 1 . 386 . 1 1 26 GLN CB C 48.562 -8.522 -1.871 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CB . . . . . . . . . rr_1awx 1 . 1 . 387 . 1 1 26 GLN CD C 47.966 -10.348 -3.468 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CD . . . . . . . . . rr_1awx 1 . 1 . 388 . 1 1 26 GLN CG C 49.096 -9.731 -2.640 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CG . . . . . . . . . rr_1awx 1 . 1 . 389 . 1 1 26 GLN H H 48.096 -6.597 -0.375 . . . 1.0 . . . . . . . . . . . . A . 26 GLN H . . . . . . . . . rr_1awx 1 . 1 . 390 . 1 1 26 GLN HA H 50.003 -8.792 -0.297 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HA . . . . . . . . . rr_1awx 1 . 1 . 391 . 1 1 26 GLN HB2 H 47.697 -8.814 -1.293 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HB2 . . . . . . . . . rr_1awx 1 . 1 . 392 . 1 1 26 GLN HB3 H 48.284 -7.747 -2.569 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HB3 . . . . . . . . . rr_1awx 1 . 1 . 393 . 1 1 26 GLN HE21 H 49.141 -10.783 -5.008 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HE21 . . . . . . . . . rr_1awx 1 . 1 . 394 . 1 1 26 GLN HE22 H 47.511 -11.220 -5.193 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HE22 . . . . . . . . . rr_1awx 1 . 1 . 395 . 1 1 26 GLN HG2 H 49.894 -9.416 -3.296 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HG2 . . . . . . . . . rr_1awx 1 . 1 . 396 . 1 1 26 GLN HG3 H 49.470 -10.465 -1.943 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HG3 . . . . . . . . . rr_1awx 1 . 1 . 397 . 1 1 26 GLN N N 48.975 -6.941 -0.107 . . . 1.0 . . . . . . . . . . . . A . 26 GLN N . . . . . . . . . rr_1awx 1 . 1 . 398 . 1 1 26 GLN NE2 N 48.228 -10.823 -4.655 . . . 1.0 . . . . . . . . . . . . A . 26 GLN NE2 . . . . . . . . . rr_1awx 1 . 1 . 399 . 1 1 26 GLN O O 50.659 -7.036 -2.878 . . . 1.0 . . . . . . . . . . . . A . 26 GLN O . . . . . . . . . rr_1awx 1 . 1 . 400 . 1 1 26 GLN OE1 O 46.834 -10.397 -3.030 . . . 1.0 . . . . . . . . . . . . A . 26 GLN OE1 . . . . . . . . . rr_1awx 1 . 1 . 401 . 1 1 27 LEU C C 53.752 -7.839 -2.757 . . . 1.0 . . . . . . . . . . . . A . 27 LEU C . . . . . . . . . rr_1awx 1 . 1 . 402 . 1 1 27 LEU CA C 53.149 -6.769 -1.839 . . . 1.0 . . . . . . . . . . . . A . 27 LEU CA . . . . . . . . . rr_1awx 1 . 1 . 403 . 1 1 27 LEU CB C 54.130 -6.373 -0.731 . . . 1.0 . . . . . . . . . . . . A . 27 LEU CB . . . . . . . . . rr_1awx 1 . 1 . 404 . 1 1 27 LEU CD1 C 53.050 -4.877 0.969 . . . 1.0 . . . . . . . . . . . . A . 27 LEU CD1 . . . . . . . . . rr_1awx 1 . 1 . 405 . 1 1 27 LEU CD2 C 55.220 -4.212 -0.089 . . . 1.0 . . . . . . . . . . . . A . 27 LEU CD2 . . . . . . . . . rr_1awx 1 . 1 . 406 . 1 1 27 LEU CG C 53.879 -4.918 -0.320 . . . 1.0 . . . . . . . . . . . . A . 27 LEU CG . . . . . . . . . rr_1awx 1 . 1 . 407 . 1 1 27 LEU H H 52.058 -7.630 -0.199 . . . 1.0 . . . . . . . . . . . . A . 27 LEU H . . . . . . . . . rr_1awx 1 . 1 . 408 . 1 1 27 LEU HA H 52.869 -5.898 -2.410 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HA . . . . . . . . . rr_1awx 1 . 1 . 409 . 1 1 27 LEU HB2 H 53.981 -7.014 0.126 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HB2 . . . . . . . . . rr_1awx 1 . 1 . 410 . 1 1 27 LEU HB3 H 55.143 -6.478 -1.090 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HB3 . . . . . . . . . rr_1awx 1 . 1 . 411 . 1 1 27 LEU HD11 H 52.586 -5.838 1.132 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD11 . . . . . . . . . rr_1awx 1 . 1 . 412 . 1 1 27 LEU HD12 H 53.691 -4.642 1.807 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD12 . . . . . . . . . rr_1awx 1 . 1 . 413 . 1 1 27 LEU HD13 H 52.286 -4.121 0.878 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD13 . . . . . . . . . rr_1awx 1 . 1 . 414 . 1 1 27 LEU HD21 H 55.941 -4.562 -0.813 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD21 . . . . . . . . . rr_1awx 1 . 1 . 415 . 1 1 27 LEU HD22 H 55.088 -3.145 -0.198 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD22 . . . . . . . . . rr_1awx 1 . 1 . 416 . 1 1 27 LEU HD23 H 55.575 -4.430 0.908 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD23 . . . . . . . . . rr_1awx 1 . 1 . 417 . 1 1 27 LEU HG H 53.336 -4.414 -1.105 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HG . . . . . . . . . rr_1awx 1 . 1 . 418 . 1 1 27 LEU N N 51.966 -7.321 -1.124 . . . 1.0 . . . . . . . . . . . . A . 27 LEU N . . . . . . . . . rr_1awx 1 . 1 . 419 . 1 1 27 LEU O O 53.158 -8.874 -2.992 . . . 1.0 . . . . . . . . . . . . A . 27 LEU O . . . . . . . . . rr_1awx 1 . 1 . 420 . 1 1 28 ARG C C 57.018 -8.134 -4.468 . . . 1.0 . . . . . . . . . . . . A . 28 ARG C . . . . . . . . . rr_1awx 1 . 1 . 421 . 1 1 28 ARG CA C 55.575 -8.566 -4.203 . . . 1.0 . . . . . . . . . . . . A . 28 ARG CA . . . . . . . . . rr_1awx 1 . 1 . 422 . 1 1 28 ARG CB C 54.751 -8.513 -5.494 . . . 1.0 . . . . . . . . . . . . A . 28 ARG CB . . . . . . . . . rr_1awx 1 . 1 . 423 . 1 1 28 ARG CD C 53.733 -9.873 -7.328 . . . 1.0 . . . . . . . . . . . . A . 28 ARG CD . . . . . . . . . rr_1awx 1 . 1 . 424 . 1 1 28 ARG CG C 54.547 -9.931 -6.033 . . . 1.0 . . . . . . . . . . . . A . 28 ARG CG . . . . . . . . . rr_1awx 1 . 1 . 425 . 1 1 28 ARG CZ C 53.007 -11.687 -8.758 . . . 1.0 . . . . . . . . . . . . A . 28 ARG CZ . . . . . . . . . rr_1awx 1 . 1 . 426 . 1 1 28 ARG H H 55.369 -6.740 -3.083 . . . 1.0 . . . . . . . . . . . . A . 28 ARG H . . . . . . . . . rr_1awx 1 . 1 . 427 . 1 1 28 ARG HA H 55.546 -9.558 -3.786 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HA . . . . . . . . . rr_1awx 1 . 1 . 428 . 1 1 28 ARG HB2 H 53.789 -8.065 -5.288 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HB2 . . . . . . . . . rr_1awx 1 . 1 . 429 . 1 1 28 ARG HB3 H 55.272 -7.921 -6.231 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HB3 . . . . . . . . . rr_1awx 1 . 1 . 430 . 1 1 28 ARG HD2 H 52.689 -9.702 -7.106 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HD2 . . . . . . . . . rr_1awx 1 . 1 . 431 . 1 1 28 ARG HD3 H 54.113 -9.099 -7.977 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HD3 . . . . . . . . . rr_1awx 1 . 1 . 432 . 1 1 28 ARG HE H 54.733 -11.726 -7.777 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HE . . . . . . . . . rr_1awx 1 . 1 . 433 . 1 1 28 ARG HG2 H 55.509 -10.382 -6.231 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HG2 . . . . . . . . . rr_1awx 1 . 1 . 434 . 1 1 28 ARG HG3 H 54.015 -10.521 -5.303 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HG3 . . . . . . . . . rr_1awx 1 . 1 . 435 . 1 1 28 ARG HH11 H 51.695 -12.045 -7.289 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HH11 . . . . . . . . . rr_1awx 1 . 1 . 436 . 1 1 28 ARG HH12 H 51.167 -12.465 -8.884 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HH12 . . . . . . . . . rr_1awx 1 . 1 . 437 . 1 1 28 ARG HH21 H 54.105 -11.441 -10.414 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HH21 . . . . . . . . . rr_1awx 1 . 1 . 438 . 1 1 28 ARG HH22 H 52.531 -12.123 -10.653 . . . 1.0 . . . . . . . . . . . . A . 28 ARG HH22 . . . . . . . . . rr_1awx 1 . 1 . 439 . 1 1 28 ARG N N 54.920 -7.587 -3.285 . . . 1.0 . . . . . . . . . . . . A . 28 ARG N . . . . . . . . . rr_1awx 1 . 1 . 440 . 1 1 28 ARG NE N 53.922 -11.208 -7.960 . . . 1.0 . . . . . . . . . . . . A . 28 ARG NE . . . . . . . . . rr_1awx 1 . 1 . 441 . 1 1 28 ARG NH1 N 51.868 -12.097 -8.273 . . . 1.0 . . . . . . . . . . . . A . 28 ARG NH1 . . . . . . . . . rr_1awx 1 . 1 . 442 . 1 1 28 ARG NH2 N 53.232 -11.755 -10.042 . . . 1.0 . . . . . . . . . . . . A . 28 ARG NH2 . . . . . . . . . rr_1awx 1 . 1 . 443 . 1 1 28 ARG O O 57.600 -7.388 -3.703 . . . 1.0 . . . . . . . . . . . . A . 28 ARG O . . . . . . . . . rr_1awx 1 . 1 . 444 . 1 1 29 LYS C C 59.046 -7.501 -7.227 . . . 1.0 . . . . . . . . . . . . A . 29 LYS C . . . . . . . . . rr_1awx 1 . 1 . 445 . 1 1 29 LYS CA C 58.994 -8.213 -5.872 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CA . . . . . . . . . rr_1awx 1 . 1 . 446 . 1 1 29 LYS CB C 59.770 -9.537 -5.895 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CB . . . . . . . . . rr_1awx 1 . 1 . 447 . 1 1 29 LYS CD C 62.113 -10.405 -5.765 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CD . . . . . . . . . rr_1awx 1 . 1 . 448 . 1 1 29 LYS CE C 63.349 -10.565 -6.655 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CE . . . . . . . . . rr_1awx 1 . 1 . 449 . 1 1 29 LYS CG C 61.222 -9.292 -6.321 . . . 1.0 . . . . . . . . . . . . A . 29 LYS CG . . . . . . . . . rr_1awx 1 . 1 . 450 . 1 1 29 LYS H H 57.106 -9.187 -6.141 . . . 1.0 . . . . . . . . . . . . A . 29 LYS H . . . . . . . . . rr_1awx 1 . 1 . 451 . 1 1 29 LYS HA H 59.379 -7.573 -5.107 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HA . . . . . . . . . rr_1awx 1 . 1 . 452 . 1 1 29 LYS HB2 H 59.757 -9.975 -4.906 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HB2 . . . . . . . . . rr_1awx 1 . 1 . 453 . 1 1 29 LYS HB3 H 59.302 -10.215 -6.592 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HB3 . . . . . . . . . rr_1awx 1 . 1 . 454 . 1 1 29 LYS HD2 H 62.421 -10.151 -4.761 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HD2 . . . . . . . . . rr_1awx 1 . 1 . 455 . 1 1 29 LYS HD3 H 61.561 -11.333 -5.749 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HD3 . . . . . . . . . rr_1awx 1 . 1 . 456 . 1 1 29 LYS HE2 H 63.171 -10.127 -7.628 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HE2 . . . . . . . . . rr_1awx 1 . 1 . 457 . 1 1 29 LYS HE3 H 64.210 -10.111 -6.188 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HE3 . . . . . . . . . rr_1awx 1 . 1 . 458 . 1 1 29 LYS HG2 H 61.283 -9.287 -7.400 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HG2 . . . . . . . . . rr_1awx 1 . 1 . 459 . 1 1 29 LYS HG3 H 61.555 -8.340 -5.937 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HG3 . . . . . . . . . rr_1awx 1 . 1 . 460 . 1 1 29 LYS HZ1 H 62.702 -12.468 -7.195 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ1 . . . . . . . . . rr_1awx 1 . 1 . 461 . 1 1 29 LYS HZ2 H 64.373 -12.226 -7.379 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ2 . . . . . . . . . rr_1awx 1 . 1 . 462 . 1 1 29 LYS HZ3 H 63.714 -12.441 -5.831 . . . 1.0 . . . . . . . . . . . . A . 29 LYS HZ3 . . . . . . . . . rr_1awx 1 . 1 . 463 . 1 1 29 LYS N N 57.594 -8.594 -5.547 . . . 1.0 . . . . . . . . . . . . A . 29 LYS N . . . . . . . . . rr_1awx 1 . 1 . 464 . 1 1 29 LYS NZ N 63.550 -12.036 -6.774 . . . 1.0 . . . . . . . . . . . . A . 29 LYS NZ . . . . . . . . . rr_1awx 1 . 1 . 465 . 1 1 29 LYS O O 58.659 -8.045 -8.244 . . . 1.0 . . . . . . . . . . . . A . 29 LYS O . . . . . . . . . rr_1awx 1 . 1 . 466 . 1 1 30 GLY C C 58.350 -4.626 -8.657 . . . 1.0 . . . . . . . . . . . . A . 30 GLY C . . . . . . . . . rr_1awx 1 . 1 . 467 . 1 1 30 GLY CA C 59.595 -5.505 -8.510 . . . 1.0 . . . . . . . . . . . . A . 30 GLY CA . . . . . . . . . rr_1awx 1 . 1 . 468 . 1 1 30 GLY H H 59.815 -5.866 -6.399 . . . 1.0 . . . . . . . . . . . . A . 30 GLY H . . . . . . . . . rr_1awx 1 . 1 . 469 . 1 1 30 GLY HA2 H 60.476 -4.878 -8.495 . . . 1.0 . . . . . . . . . . . . A . 30 GLY HA2 . . . . . . . . . rr_1awx 1 . 1 . 470 . 1 1 30 GLY HA3 H 59.650 -6.186 -9.344 . . . 1.0 . . . . . . . . . . . . A . 30 GLY HA3 . . . . . . . . . rr_1awx 1 . 1 . 471 . 1 1 30 GLY N N 59.517 -6.279 -7.237 . . . 1.0 . . . . . . . . . . . . A . 30 GLY N . . . . . . . . . rr_1awx 1 . 1 . 472 . 1 1 30 GLY O O 58.366 -3.638 -9.367 . . . 1.0 . . . . . . . . . . . . A . 30 GLY O . . . . . . . . . rr_1awx 1 . 1 . 473 . 1 1 31 ASP C C 56.175 -2.903 -7.214 . . . 1.0 . . . . . . . . . . . . A . 31 ASP C . . . . . . . . . rr_1awx 1 . 1 . 474 . 1 1 31 ASP CA C 56.035 -4.147 -8.090 . . . 1.0 . . . . . . . . . . . . A . 31 ASP CA . . . . . . . . . rr_1awx 1 . 1 . 475 . 1 1 31 ASP CB C 54.909 -5.045 -7.575 . . . 1.0 . . . . . . . . . . . . A . 31 ASP CB . . . . . . . . . rr_1awx 1 . 1 . 476 . 1 1 31 ASP CG C 53.566 -4.533 -8.099 . . . 1.0 . . . . . . . . . . . . A . 31 ASP CG . . . . . . . . . rr_1awx 1 . 1 . 477 . 1 1 31 ASP H H 57.281 -5.765 -7.419 . . . 1.0 . . . . . . . . . . . . A . 31 ASP H . . . . . . . . . rr_1awx 1 . 1 . 478 . 1 1 31 ASP HA H 55.853 -3.874 -9.113 . . . 1.0 . . . . . . . . . . . . A . 31 ASP HA . . . . . . . . . rr_1awx 1 . 1 . 479 . 1 1 31 ASP HB2 H 55.069 -6.057 -7.920 . . . 1.0 . . . . . . . . . . . . A . 31 ASP HB2 . . . . . . . . . rr_1awx 1 . 1 . 480 . 1 1 31 ASP HB3 H 54.901 -5.030 -6.495 . . . 1.0 . . . . . . . . . . . . A . 31 ASP HB3 . . . . . . . . . rr_1awx 1 . 1 . 481 . 1 1 31 ASP N N 57.273 -4.971 -7.989 . . . 1.0 . . . . . . . . . . . . A . 31 ASP N . . . . . . . . . rr_1awx 1 . 1 . 482 . 1 1 31 ASP O O 57.042 -2.836 -6.370 . . . 1.0 . . . . . . . . . . . . A . 31 ASP O . . . . . . . . . rr_1awx 1 . 1 . 483 . 1 1 31 ASP OD1 O 53.248 -4.825 -9.240 . . . 1.0 . . . . . . . . . . . . A . 31 ASP OD1 . . . . . . . . . rr_1awx 1 . 1 . 484 . 1 1 31 ASP OD2 O 52.880 -3.856 -7.351 . . . 1.0 . . . . . . . . . . . . A . 31 ASP OD2 . . . . . . . . . rr_1awx 1 . 1 . 485 . 1 1 32 GLU C C 54.035 -0.336 -6.034 . . . 1.0 . . . . . . . . . . . . A . 32 GLU C . . . . . . . . . rr_1awx 1 . 1 . 486 . 1 1 32 GLU CA C 55.427 -0.679 -6.571 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CA . . . . . . . . . rr_1awx 1 . 1 . 487 . 1 1 32 GLU CB C 55.951 0.434 -7.497 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CB . . . . . . . . . rr_1awx 1 . 1 . 488 . 1 1 32 GLU CD C 56.544 -0.684 -9.658 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CD . . . . . . . . . rr_1awx 1 . 1 . 489 . 1 1 32 GLU CG C 57.106 -0.073 -8.373 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CG . . . . . . . . . rr_1awx 1 . 1 . 490 . 1 1 32 GLU H H 54.641 -1.996 -8.094 . . . 1.0 . . . . . . . . . . . . A . 32 GLU H . . . . . . . . . rr_1awx 1 . 1 . 491 . 1 1 32 GLU HA H 56.112 -0.833 -5.752 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HA . . . . . . . . . rr_1awx 1 . 1 . 492 . 1 1 32 GLU HB2 H 55.155 0.769 -8.123 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HB2 . . . . . . . . . rr_1awx 1 . 1 . 493 . 1 1 32 GLU HB3 H 56.300 1.260 -6.900 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HB3 . . . . . . . . . rr_1awx 1 . 1 . 494 . 1 1 32 GLU HG2 H 57.756 0.752 -8.623 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HG2 . . . . . . . . . rr_1awx 1 . 1 . 495 . 1 1 32 GLU HG3 H 57.663 -0.824 -7.834 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HG3 . . . . . . . . . rr_1awx 1 . 1 . 496 . 1 1 32 GLU N N 55.334 -1.921 -7.405 . . . 1.0 . . . . . . . . . . . . A . 32 GLU N . . . . . . . . . rr_1awx 1 . 1 . 497 . 1 1 32 GLU O O 53.041 -0.852 -6.511 . . . 1.0 . . . . . . . . . . . . A . 32 GLU O . . . . . . . . . rr_1awx 1 . 1 . 498 . 1 1 32 GLU OE1 O 56.023 0.065 -10.468 . . . 1.0 . . . . . . . . . . . . A . 32 GLU OE1 . . . . . . . . . rr_1awx 1 . 1 . 499 . 1 1 32 GLU OE2 O 56.643 -1.890 -9.810 . . . 1.0 . . . . . . . . . . . . A . 32 GLU OE2 . . . . . . . . . rr_1awx 1 . 1 . 500 . 1 1 33 TYR C C 52.444 2.325 -4.251 . . . 1.0 . . . . . . . . . . . . A . 33 TYR C . . . . . . . . . rr_1awx 1 . 1 . 501 . 1 1 33 TYR CA C 52.622 0.816 -4.428 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CA . . . . . . . . . rr_1awx 1 . 1 . 502 . 1 1 33 TYR CB C 52.626 0.144 -3.048 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CB . . . . . . . . . rr_1awx 1 . 1 . 503 . 1 1 33 TYR CD1 C 52.483 -2.277 -3.745 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CD1 . . . . . . . . . rr_1awx 1 . 1 . 504 . 1 1 33 TYR CD2 C 54.481 -1.500 -2.614 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CD2 . . . . . . . . . rr_1awx 1 . 1 . 505 . 1 1 33 TYR CE1 C 53.035 -3.556 -3.841 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CE1 . . . . . . . . . rr_1awx 1 . 1 . 506 . 1 1 33 TYR CE2 C 55.031 -2.779 -2.706 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CE2 . . . . . . . . . rr_1awx 1 . 1 . 507 . 1 1 33 TYR CG C 53.207 -1.250 -3.132 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CG . . . . . . . . . rr_1awx 1 . 1 . 508 . 1 1 33 TYR CZ C 54.309 -3.806 -3.320 . . . 1.0 . . . . . . . . . . . . A . 33 TYR CZ . . . . . . . . . rr_1awx 1 . 1 . 509 . 1 1 33 TYR H H 54.756 0.863 -4.623 . . . 1.0 . . . . . . . . . . . . A . 33 TYR H . . . . . . . . . rr_1awx 1 . 1 . 510 . 1 1 33 TYR HA H 51.827 0.408 -5.031 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HA . . . . . . . . . rr_1awx 1 . 1 . 511 . 1 1 33 TYR HB2 H 53.216 0.736 -2.366 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HB2 . . . . . . . . . rr_1awx 1 . 1 . 512 . 1 1 33 TYR HB3 H 51.624 0.088 -2.687 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HB3 . . . . . . . . . rr_1awx 1 . 1 . 513 . 1 1 33 TYR HD1 H 51.501 -2.082 -4.145 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HD1 . . . . . . . . . rr_1awx 1 . 1 . 514 . 1 1 33 TYR HD2 H 55.038 -0.705 -2.140 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HD2 . . . . . . . . . rr_1awx 1 . 1 . 515 . 1 1 33 TYR HE1 H 52.479 -4.352 -4.315 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HE1 . . . . . . . . . rr_1awx 1 . 1 . 516 . 1 1 33 TYR HE2 H 56.015 -2.975 -2.305 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HE2 . . . . . . . . . rr_1awx 1 . 1 . 517 . 1 1 33 TYR HH H 55.074 -5.219 -4.339 . . . 1.0 . . . . . . . . . . . . A . 33 TYR HH . . . . . . . . . rr_1awx 1 . 1 . 518 . 1 1 33 TYR N N 53.952 0.491 -5.020 . . . 1.0 . . . . . . . . . . . . A . 33 TYR N . . . . . . . . . rr_1awx 1 . 1 . 519 . 1 1 33 TYR O O 53.223 3.123 -4.736 . . . 1.0 . . . . . . . . . . . . A . 33 TYR O . . . . . . . . . rr_1awx 1 . 1 . 520 . 1 1 33 TYR OH O 54.854 -5.062 -3.417 . . . 1.0 . . . . . . . . . . . . A . 33 TYR OH . . . . . . . . . rr_1awx 1 . 1 . 521 . 1 1 34 PHE C C 51.129 4.405 -1.771 . . . 1.0 . . . . . . . . . . . . A . 34 PHE C . . . . . . . . . rr_1awx 1 . 1 . 522 . 1 1 34 PHE CA C 51.154 4.150 -3.278 . . . 1.0 . . . . . . . . . . . . A . 34 PHE CA . . . . . . . . . rr_1awx 1 . 1 . 523 . 1 1 34 PHE CB C 49.780 4.418 -3.879 . . . 1.0 . . . . . . . . . . . . A . 34 PHE CB . . . . . . . . . rr_1awx 1 . 1 . 524 . 1 1 34 PHE CD1 C 50.123 3.889 -6.319 . . . 1.0 . . . . . . . . . . . . A . 34 PHE CD1 . . . . . . . . . rr_1awx 1 . 1 . 525 . 1 1 34 PHE CD2 C 49.879 6.207 -5.652 . . . 1.0 . . . . . . . . . . . . A . 34 PHE CD2 . . . . . . . . . rr_1awx 1 . 1 . 526 . 1 1 34 PHE CE1 C 50.263 4.288 -7.653 . . . 1.0 . . . . . . . . . . . . A . 34 PHE CE1 . . . . . . . . . rr_1awx 1 . 1 . 527 . 1 1 34 PHE CE2 C 50.019 6.606 -6.986 . . . 1.0 . . . . . . . . . . . . A . 34 PHE CE2 . . . . . . . . . rr_1awx 1 . 1 . 528 . 1 1 34 PHE CG C 49.930 4.849 -5.318 . . . 1.0 . . . . . . . . . . . . A . 34 PHE CG . . . . . . . . . rr_1awx 1 . 1 . 529 . 1 1 34 PHE CZ C 50.211 5.646 -7.987 . . . 1.0 . . . . . . . . . . . . A . 34 PHE CZ . . . . . . . . . rr_1awx 1 . 1 . 530 . 1 1 34 PHE H H 50.823 2.028 -3.151 . . . 1.0 . . . . . . . . . . . . A . 34 PHE H . . . . . . . . . rr_1awx 1 . 1 . 531 . 1 1 34 PHE HA H 51.899 4.765 -3.757 . . . 1.0 . . . . . . . . . . . . A . 34 PHE HA . . . . . . . . . rr_1awx 1 . 1 . 532 . 1 1 34 PHE HB2 H 49.185 3.517 -3.831 . . . 1.0 . . . . . . . . . . . . A . 34 PHE HB2 . . . . . . . . . rr_1awx 1 . 1 . 533 . 1 1 34 PHE HB3 H 49.296 5.198 -3.315 . . . 1.0 . . . . . . . . . . . . A . 34 PHE HB3 . . . . . . . . . rr_1awx 1 . 1 . 534 . 1 1 34 PHE HD1 H 50.163 2.841 -6.062 . . . 1.0 . . . . . . . . . . . . A . 34 PHE HD1 . . . . . . . . . rr_1awx 1 . 1 . 535 . 1 1 34 PHE HD2 H 49.730 6.948 -4.879 . . . 1.0 . . . . . . . . . . . . A . 34 PHE HD2 . . . . . . . . . rr_1awx 1 . 1 . 536 . 1 1 34 PHE HE1 H 50.412 3.547 -8.425 . . . 1.0 . . . . . . . . . . . . A . 34 PHE HE1 . . . . . . . . . rr_1awx 1 . 1 . 537 . 1 1 34 PHE HE2 H 49.979 7.654 -7.244 . . . 1.0 . . . . . . . . . . . . A . 34 PHE HE2 . . . . . . . . . rr_1awx 1 . 1 . 538 . 1 1 34 PHE HZ H 50.320 5.954 -9.017 . . . 1.0 . . . . . . . . . . . . A . 34 PHE HZ . . . . . . . . . rr_1awx 1 . 1 . 539 . 1 1 34 PHE N N 51.419 2.705 -3.534 . . . 1.0 . . . . . . . . . . . . A . 34 PHE N . . . . . . . . . rr_1awx 1 . 1 . 540 . 1 1 34 PHE O O 50.378 3.783 -1.044 . . . 1.0 . . . . . . . . . . . . A . 34 PHE O . . . . . . . . . rr_1awx 1 . 1 . 541 . 1 1 35 ILE C C 50.973 6.672 0.553 . . . 1.0 . . . . . . . . . . . . A . 35 ILE C . . . . . . . . . rr_1awx 1 . 1 . 542 . 1 1 35 ILE CA C 51.992 5.599 0.168 . . . 1.0 . . . . . . . . . . . . A . 35 ILE CA . . . . . . . . . rr_1awx 1 . 1 . 543 . 1 1 35 ILE CB C 53.416 6.101 0.438 . . . 1.0 . . . . . . . . . . . . A . 35 ILE CB . . . . . . . . . rr_1awx 1 . 1 . 544 . 1 1 35 ILE CD1 C 54.232 3.729 0.706 . . . 1.0 . . . . . . . . . . . . A . 35 ILE CD1 . . . . . . . . . rr_1awx 1 . 1 . 545 . 1 1 35 ILE CG1 C 54.450 5.061 -0.021 . . . 1.0 . . . . . . . . . . . . A . 35 ILE CG1 . . . . . . . . . rr_1awx 1 . 1 . 546 . 1 1 35 ILE CG2 C 53.595 6.369 1.937 . . . 1.0 . . . . . . . . . . . . A . 35 ILE CG2 . . . . . . . . . rr_1awx 1 . 1 . 547 . 1 1 35 ILE H H 52.540 5.789 -1.911 . . . 1.0 . . . . . . . . . . . . A . 35 ILE H . . . . . . . . . rr_1awx 1 . 1 . 548 . 1 1 35 ILE HA H 51.813 4.701 0.733 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HA . . . . . . . . . rr_1awx 1 . 1 . 549 . 1 1 35 ILE HB H 53.570 7.019 -0.104 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HB . . . . . . . . . rr_1awx 1 . 1 . 550 . 1 1 35 ILE HD11 H 53.640 3.896 1.595 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HD11 . . . . . . . . . rr_1awx 1 . 1 . 551 . 1 1 35 ILE HD12 H 53.715 3.043 0.053 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HD12 . . . . . . . . . rr_1awx 1 . 1 . 552 . 1 1 35 ILE HD13 H 55.187 3.311 0.982 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HD13 . . . . . . . . . rr_1awx 1 . 1 . 553 . 1 1 35 ILE HG12 H 54.354 4.907 -1.086 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HG12 . . . . . . . . . rr_1awx 1 . 1 . 554 . 1 1 35 ILE HG13 H 55.442 5.427 0.199 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HG13 . . . . . . . . . rr_1awx 1 . 1 . 555 . 1 1 35 ILE HG21 H 53.228 5.524 2.500 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HG21 . . . . . . . . . rr_1awx 1 . 1 . 556 . 1 1 35 ILE HG22 H 54.643 6.517 2.153 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HG22 . . . . . . . . . rr_1awx 1 . 1 . 557 . 1 1 35 ILE HG23 H 53.042 7.254 2.213 . . . 1.0 . . . . . . . . . . . . A . 35 ILE HG23 . . . . . . . . . rr_1awx 1 . 1 . 558 . 1 1 35 ILE N N 51.947 5.308 -1.300 . . . 1.0 . . . . . . . . . . . . A . 35 ILE N . . . . . . . . . rr_1awx 1 . 1 . 559 . 1 1 35 ILE O O 50.884 7.715 -0.067 . . . 1.0 . . . . . . . . . . . . A . 35 ILE O . . . . . . . . . rr_1awx 1 . 1 . 560 . 1 1 36 LEU C C 49.609 7.951 3.443 . . . 1.0 . . . . . . . . . . . . A . 36 LEU C . . . . . . . . . rr_1awx 1 . 1 . 561 . 1 1 36 LEU CA C 49.213 7.417 2.059 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CA . . . . . . . . . rr_1awx 1 . 1 . 562 . 1 1 36 LEU CB C 47.894 6.647 2.143 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CB . . . . . . . . . rr_1awx 1 . 1 . 563 . 1 1 36 LEU CD1 C 47.775 5.025 0.244 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CD1 . . . . . . . . . rr_1awx 1 . 1 . 564 . 1 1 36 LEU CD2 C 45.814 6.483 0.766 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CD2 . . . . . . . . . rr_1awx 1 . 1 . 565 . 1 1 36 LEU CG C 47.343 6.409 0.735 . . . 1.0 . . . . . . . . . . . . A . 36 LEU CG . . . . . . . . . rr_1awx 1 . 1 . 566 . 1 1 36 LEU H H 50.328 5.576 2.075 . . . 1.0 . . . . . . . . . . . . A . 36 LEU H . . . . . . . . . rr_1awx 1 . 1 . 567 . 1 1 36 LEU HA H 49.125 8.226 1.352 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HA . . . . . . . . . rr_1awx 1 . 1 . 568 . 1 1 36 LEU HB2 H 48.062 5.699 2.630 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HB2 . . . . . . . . . rr_1awx 1 . 1 . 569 . 1 1 36 LEU HB3 H 47.179 7.222 2.714 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HB3 . . . . . . . . . rr_1awx 1 . 1 . 570 . 1 1 36 LEU HD11 H 47.415 4.272 0.929 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD11 . . . . . . . . . rr_1awx 1 . 1 . 571 . 1 1 36 LEU HD12 H 47.361 4.846 -0.738 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD12 . . . . . . . . . rr_1awx 1 . 1 . 572 . 1 1 36 LEU HD13 H 48.853 4.981 0.194 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD13 . . . . . . . . . rr_1awx 1 . 1 . 573 . 1 1 36 LEU HD21 H 45.506 7.308 1.392 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD21 . . . . . . . . . rr_1awx 1 . 1 . 574 . 1 1 36 LEU HD22 H 45.439 6.632 -0.235 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD22 . . . . . . . . . rr_1awx 1 . 1 . 575 . 1 1 36 LEU HD23 H 45.417 5.561 1.166 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HD23 . . . . . . . . . rr_1awx 1 . 1 . 576 . 1 1 36 LEU HG H 47.729 7.165 0.066 . . . 1.0 . . . . . . . . . . . . A . 36 LEU HG . . . . . . . . . rr_1awx 1 . 1 . 577 . 1 1 36 LEU N N 50.220 6.422 1.591 . . . 1.0 . . . . . . . . . . . . A . 36 LEU N . . . . . . . . . rr_1awx 1 . 1 . 578 . 1 1 36 LEU O O 49.191 9.022 3.843 . . . 1.0 . . . . . . . . . . . . A . 36 LEU O . . . . . . . . . rr_1awx 1 . 1 . 579 . 1 1 37 GLU C C 52.356 7.721 5.646 . . . 1.0 . . . . . . . . . . . . A . 37 GLU C . . . . . . . . . rr_1awx 1 . 1 . 580 . 1 1 37 GLU CA C 50.827 7.671 5.537 . . . 1.0 . . . . . . . . . . . . A . 37 GLU CA . . . . . . . . . rr_1awx 1 . 1 . 581 . 1 1 37 GLU CB C 50.254 6.631 6.501 . . . 1.0 . . . . . . . . . . . . A . 37 GLU CB . . . . . . . . . rr_1awx 1 . 1 . 582 . 1 1 37 GLU CD C 48.445 6.608 8.228 . . . 1.0 . . . . . . . . . . . . A . 37 GLU CD . . . . . . . . . rr_1awx 1 . 1 . 583 . 1 1 37 GLU CG C 49.706 7.331 7.748 . . . 1.0 . . . . . . . . . . . . A . 37 GLU CG . . . . . . . . . rr_1awx 1 . 1 . 584 . 1 1 37 GLU H H 50.731 6.351 3.841 . . . 1.0 . . . . . . . . . . . . A . 37 GLU H . . . . . . . . . rr_1awx 1 . 1 . 585 . 1 1 37 GLU HA H 50.405 8.641 5.749 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HA . . . . . . . . . rr_1awx 1 . 1 . 586 . 1 1 37 GLU HB2 H 49.458 6.089 6.011 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HB2 . . . . . . . . . rr_1awx 1 . 1 . 587 . 1 1 37 GLU HB3 H 51.032 5.942 6.792 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HB3 . . . . . . . . . rr_1awx 1 . 1 . 588 . 1 1 37 GLU HG2 H 50.452 7.311 8.529 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HG2 . . . . . . . . . rr_1awx 1 . 1 . 589 . 1 1 37 GLU HG3 H 49.461 8.355 7.509 . . . 1.0 . . . . . . . . . . . . A . 37 GLU HG3 . . . . . . . . . rr_1awx 1 . 1 . 590 . 1 1 37 GLU N N 50.409 7.211 4.179 . . . 1.0 . . . . . . . . . . . . A . 37 GLU N . . . . . . . . . rr_1awx 1 . 1 . 591 . 1 1 37 GLU O O 53.059 7.727 4.656 . . . 1.0 . . . . . . . . . . . . A . 37 GLU O . . . . . . . . . rr_1awx 1 . 1 . 592 . 1 1 37 GLU OE1 O 47.680 6.171 7.385 . . . 1.0 . . . . . . . . . . . . A . 37 GLU OE1 . . . . . . . . . rr_1awx 1 . 1 . 593 . 1 1 37 GLU OE2 O 48.267 6.505 9.431 . . . 1.0 . . . . . . . . . . . . A . 37 GLU OE2 . . . . . . . . . rr_1awx 1 . 1 . 594 . 1 1 38 GLU C C 54.552 7.891 8.597 . . . 1.0 . . . . . . . . . . . . A . 38 GLU C . . . . . . . . . rr_1awx 1 . 1 . 595 . 1 1 38 GLU CA C 54.338 7.811 7.091 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CA . . . . . . . . . rr_1awx 1 . 1 . 596 . 1 1 38 GLU CB C 54.848 9.092 6.409 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CB . . . . . . . . . rr_1awx 1 . 1 . 597 . 1 1 38 GLU CD C 55.035 11.483 7.137 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CD . . . . . . . . . rr_1awx 1 . 1 . 598 . 1 1 38 GLU CG C 54.072 10.312 6.925 . . . 1.0 . . . . . . . . . . . . A . 38 GLU CG . . . . . . . . . rr_1awx 1 . 1 . 599 . 1 1 38 GLU H H 52.268 7.742 7.630 . . . 1.0 . . . . . . . . . . . . A . 38 GLU H . . . . . . . . . rr_1awx 1 . 1 . 600 . 1 1 38 GLU HA H 54.826 6.939 6.681 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HA . . . . . . . . . rr_1awx 1 . 1 . 601 . 1 1 38 GLU HB2 H 55.900 9.216 6.625 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HB2 . . . . . . . . . rr_1awx 1 . 1 . 602 . 1 1 38 GLU HB3 H 54.711 9.007 5.345 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HB3 . . . . . . . . . rr_1awx 1 . 1 . 603 . 1 1 38 GLU HG2 H 53.321 10.591 6.200 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HG2 . . . . . . . . . rr_1awx 1 . 1 . 604 . 1 1 38 GLU HG3 H 53.594 10.068 7.861 . . . 1.0 . . . . . . . . . . . . A . 38 GLU HG3 . . . . . . . . . rr_1awx 1 . 1 . 605 . 1 1 38 GLU N N 52.864 7.756 6.854 . . . 1.0 . . . . . . . . . . . . A . 38 GLU N . . . . . . . . . rr_1awx 1 . 1 . 606 . 1 1 38 GLU O O 55.340 8.676 9.089 . . . 1.0 . . . . . . . . . . . . A . 38 GLU O . . . . . . . . . rr_1awx 1 . 1 . 607 . 1 1 38 GLU OE1 O 56.038 11.286 7.802 . . . 1.0 . . . . . . . . . . . . A . 38 GLU OE1 . . . . . . . . . rr_1awx 1 . 1 . 608 . 1 1 38 GLU OE2 O 54.752 12.556 6.630 . . . 1.0 . . . . . . . . . . . . A . 38 GLU OE2 . . . . . . . . . rr_1awx 1 . 1 . 609 . 1 1 39 SER C C 55.349 6.899 11.277 . . . 1.0 . . . . . . . . . . . . A . 39 SER C . . . . . . . . . rr_1awx 1 . 1 . 610 . 1 1 39 SER CA C 53.908 7.106 10.815 . . . 1.0 . . . . . . . . . . . . A . 39 SER CA . . . . . . . . . rr_1awx 1 . 1 . 611 . 1 1 39 SER CB C 53.036 5.937 11.269 . . . 1.0 . . . . . . . . . . . . A . 39 SER CB . . . . . . . . . rr_1awx 1 . 1 . 612 . 1 1 39 SER H H 53.174 6.499 8.883 . . . 1.0 . . . . . . . . . . . . A . 39 SER H . . . . . . . . . rr_1awx 1 . 1 . 613 . 1 1 39 SER HA H 53.515 8.029 11.210 . . . 1.0 . . . . . . . . . . . . A . 39 SER HA . . . . . . . . . rr_1awx 1 . 1 . 614 . 1 1 39 SER HB2 H 53.351 5.034 10.765 . . . 1.0 . . . . . . . . . . . . A . 39 SER HB2 . . . . . . . . . rr_1awx 1 . 1 . 615 . 1 1 39 SER HB3 H 53.137 5.808 12.338 . . . 1.0 . . . . . . . . . . . . A . 39 SER HB3 . . . . . . . . . rr_1awx 1 . 1 . 616 . 1 1 39 SER HG H 51.324 5.437 10.489 . . . 1.0 . . . . . . . . . . . . A . 39 SER HG . . . . . . . . . rr_1awx 1 . 1 . 617 . 1 1 39 SER N N 53.814 7.096 9.325 . . . 1.0 . . . . . . . . . . . . A . 39 SER N . . . . . . . . . rr_1awx 1 . 1 . 618 . 1 1 39 SER O O 56.276 6.900 10.488 . . . 1.0 . . . . . . . . . . . . A . 39 SER O . . . . . . . . . rr_1awx 1 . 1 . 619 . 1 1 39 SER OG O 51.680 6.208 10.938 . . . 1.0 . . . . . . . . . . . . A . 39 SER OG . . . . . . . . . rr_1awx 1 . 1 . 620 . 1 1 40 ASN C C 57.281 5.012 13.063 . . . 1.0 . . . . . . . . . . . . A . 40 ASN C . . . . . . . . . rr_1awx 1 . 1 . 621 . 1 1 40 ASN CA C 56.912 6.499 13.085 . . . 1.0 . . . . . . . . . . . . A . 40 ASN CA . . . . . . . . . rr_1awx 1 . 1 . 622 . 1 1 40 ASN CB C 56.861 7.012 14.525 . . . 1.0 . . . . . . . . . . . . A . 40 ASN CB . . . . . . . . . rr_1awx 1 . 1 . 623 . 1 1 40 ASN CG C 56.647 8.527 14.521 . . . 1.0 . . . . . . . . . . . . A . 40 ASN CG . . . . . . . . . rr_1awx 1 . 1 . 624 . 1 1 40 ASN H H 54.773 6.708 13.166 . . . 1.0 . . . . . . . . . . . . A . 40 ASN H . . . . . . . . . rr_1awx 1 . 1 . 625 . 1 1 40 ASN HA H 57.628 7.072 12.518 . . . 1.0 . . . . . . . . . . . . A . 40 ASN HA . . . . . . . . . rr_1awx 1 . 1 . 626 . 1 1 40 ASN HB2 H 56.046 6.534 15.048 . . . 1.0 . . . . . . . . . . . . A . 40 ASN HB2 . . . . . . . . . rr_1awx 1 . 1 . 627 . 1 1 40 ASN HB3 H 57.792 6.784 15.022 . . . 1.0 . . . . . . . . . . . . A . 40 ASN HB3 . . . . . . . . . rr_1awx 1 . 1 . 628 . 1 1 40 ASN HD21 H 55.766 8.550 16.300 . . . 1.0 . . . . . . . . . . . . A . 40 ASN HD21 . . . . . . . . . rr_1awx 1 . 1 . 629 . 1 1 40 ASN HD22 H 55.921 10.064 15.548 . . . 1.0 . . . . . . . . . . . . A . 40 ASN HD22 . . . . . . . . . rr_1awx 1 . 1 . 630 . 1 1 40 ASN N N 55.539 6.711 12.554 . . . 1.0 . . . . . . . . . . . . A . 40 ASN N . . . . . . . . . rr_1awx 1 . 1 . 631 . 1 1 40 ASN ND2 N 56.062 9.094 15.541 . . . 1.0 . . . . . . . . . . . . A . 40 ASN ND2 . . . . . . . . . rr_1awx 1 . 1 . 632 . 1 1 40 ASN O O 58.109 4.573 13.839 . . . 1.0 . . . . . . . . . . . . A . 40 ASN O . . . . . . . . . rr_1awx 1 . 1 . 633 . 1 1 40 ASN OD1 O 57.014 9.203 13.580 . . . 1.0 . . . . . . . . . . . . A . 40 ASN OD1 . . . . . . . . . rr_1awx 1 . 1 . 634 . 1 1 41 LEU C C 57.292 2.302 10.700 . . . 1.0 . . . . . . . . . . . . A . 41 LEU C . . . . . . . . . rr_1awx 1 . 1 . 635 . 1 1 41 LEU CA C 57.046 2.776 12.145 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CA . . . . . . . . . rr_1awx 1 . 1 . 636 . 1 1 41 LEU CB C 55.867 2.022 12.770 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CB . . . . . . . . . rr_1awx 1 . 1 . 637 . 1 1 41 LEU CD1 C 53.678 1.123 11.973 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CD1 . . . . . . . . . rr_1awx 1 . 1 . 638 . 1 1 41 LEU CD2 C 53.830 3.470 12.803 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CD2 . . . . . . . . . rr_1awx 1 . 1 . 639 . 1 1 41 LEU CG C 54.565 2.366 12.040 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CG . . . . . . . . . rr_1awx 1 . 1 . 640 . 1 1 41 LEU H H 56.020 4.594 11.552 . . . 1.0 . . . . . . . . . . . . A . 41 LEU H . . . . . . . . . rr_1awx 1 . 1 . 641 . 1 1 41 LEU HA H 57.931 2.608 12.738 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HA . . . . . . . . . rr_1awx 1 . 1 . 642 . 1 1 41 LEU HB2 H 56.052 0.958 12.694 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HB2 . . . . . . . . . rr_1awx 1 . 1 . 643 . 1 1 41 LEU HB3 H 55.779 2.296 13.811 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HB3 . . . . . . . . . rr_1awx 1 . 1 . 644 . 1 1 41 LEU HD11 H 54.283 0.263 11.729 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD11 . . . . . . . . . rr_1awx 1 . 1 . 645 . 1 1 41 LEU HD12 H 53.205 0.968 12.931 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD12 . . . . . . . . . rr_1awx 1 . 1 . 646 . 1 1 41 LEU HD13 H 52.921 1.259 11.216 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD13 . . . . . . . . . rr_1awx 1 . 1 . 647 . 1 1 41 LEU HD21 H 53.649 3.146 13.818 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD21 . . . . . . . . . rr_1awx 1 . 1 . 648 . 1 1 41 LEU HD22 H 54.433 4.365 12.814 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD22 . . . . . . . . . rr_1awx 1 . 1 . 649 . 1 1 41 LEU HD23 H 52.887 3.677 12.318 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HD23 . . . . . . . . . rr_1awx 1 . 1 . 650 . 1 1 41 LEU HG H 54.790 2.704 11.038 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HG . . . . . . . . . rr_1awx 1 . 1 . 651 . 1 1 41 LEU N N 56.688 4.229 12.183 . . . 1.0 . . . . . . . . . . . . A . 41 LEU N . . . . . . . . . rr_1awx 1 . 1 . 652 . 1 1 41 LEU O O 56.830 2.929 9.767 . . . 1.0 . . . . . . . . . . . . A . 41 LEU O . . . . . . . . . rr_1awx 1 . 1 . 653 . 1 1 42 PRO C C 57.048 0.340 8.432 . . . 1.0 . . . . . . . . . . . . A . 42 PRO C . . . . . . . . . rr_1awx 1 . 1 . 654 . 1 1 42 PRO CA C 58.331 0.677 9.198 . . . 1.0 . . . . . . . . . . . . A . 42 PRO CA . . . . . . . . . rr_1awx 1 . 1 . 655 . 1 1 42 PRO CB C 59.129 -0.597 9.505 . . . 1.0 . . . . . . . . . . . . A . 42 PRO CB . . . . . . . . . rr_1awx 1 . 1 . 656 . 1 1 42 PRO CD C 58.589 0.448 11.704 . . . 1.0 . . . . . . . . . . . . A . 42 PRO CD . . . . . . . . . rr_1awx 1 . 1 . 657 . 1 1 42 PRO CG C 59.245 -0.757 11.031 . . . 1.0 . . . . . . . . . . . . A . 42 PRO CG . . . . . . . . . rr_1awx 1 . 1 . 658 . 1 1 42 PRO HA H 58.941 1.369 8.642 . . . 1.0 . . . . . . . . . . . . A . 42 PRO HA . . . . . . . . . rr_1awx 1 . 1 . 659 . 1 1 42 PRO HB2 H 58.622 -1.456 9.087 . . . 1.0 . . . . . . . . . . . . A . 42 PRO HB2 . . . . . . . . . rr_1awx 1 . 1 . 660 . 1 1 42 PRO HB3 H 60.117 -0.517 9.078 . . . 1.0 . . . . . . . . . . . . A . 42 PRO HB3 . . . . . . . . . rr_1awx 1 . 1 . 661 . 1 1 42 PRO HD2 H 57.806 0.126 12.377 . . . 1.0 . . . . . . . . . . . . A . 42 PRO HD2 . . . . . . . . . rr_1awx 1 . 1 . 662 . 1 1 42 PRO HD3 H 59.323 1.045 12.222 . . . 1.0 . . . . . . . . . . . . A . 42 PRO HD3 . . . . . . . . . rr_1awx 1 . 1 . 663 . 1 1 42 PRO HG2 H 58.739 -1.660 11.340 . . . 1.0 . . . . . . . . . . . . A . 42 PRO HG2 . . . . . . . . . rr_1awx 1 . 1 . 664 . 1 1 42 PRO HG3 H 60.283 -0.804 11.316 . . . 1.0 . . . . . . . . . . . . A . 42 PRO HG3 . . . . . . . . . rr_1awx 1 . 1 . 665 . 1 1 42 PRO N N 58.027 1.208 10.551 . . . 1.0 . . . . . . . . . . . . A . 42 PRO N . . . . . . . . . rr_1awx 1 . 1 . 666 . 1 1 42 PRO O O 56.966 0.538 7.234 . . . 1.0 . . . . . . . . . . . . A . 42 PRO O . . . . . . . . . rr_1awx 1 . 1 . 667 . 1 1 43 TRP C C 53.934 0.697 8.173 . . . 1.0 . . . . . . . . . . . . A . 43 TRP C . . . . . . . . . rr_1awx 1 . 1 . 668 . 1 1 43 TRP CA C 54.787 -0.551 8.411 . . . 1.0 . . . . . . . . . . . . A . 43 TRP CA . . . . . . . . . rr_1awx 1 . 1 . 669 . 1 1 43 TRP CB C 54.063 -1.512 9.360 . . . 1.0 . . . . . . . . . . . . A . 43 TRP CB . . . . . . . . . rr_1awx 1 . 1 . 670 . 1 1 43 TRP CD1 C 55.765 -2.713 10.748 . . . 1.0 . . . . . . . . . . . . A . 43 TRP CD1 . . . . . . . . . rr_1awx 1 . 1 . 671 . 1 1 43 TRP CD2 C 55.063 -3.967 9.025 . . . 1.0 . . . . . . . . . . . . A . 43 TRP CD2 . . . . . . . . . rr_1awx 1 . 1 . 672 . 1 1 43 TRP CE2 C 56.011 -4.745 9.732 . . . 1.0 . . . . . . . . . . . . A . 43 TRP CE2 . . . . . . . . . rr_1awx 1 . 1 . 673 . 1 1 43 TRP CE3 C 54.463 -4.531 7.885 . . . 1.0 . . . . . . . . . . . . A . 43 TRP CE3 . . . . . . . . . rr_1awx 1 . 1 . 674 . 1 1 43 TRP CG C 54.933 -2.679 9.698 . . . 1.0 . . . . . . . . . . . . A . 43 TRP CG . . . . . . . . . rr_1awx 1 . 1 . 675 . 1 1 43 TRP CH2 C 55.742 -6.581 8.191 . . . 1.0 . . . . . . . . . . . . A . 43 TRP CH2 . . . . . . . . . rr_1awx 1 . 1 . 676 . 1 1 43 TRP CZ2 C 56.350 -6.036 9.325 . . . 1.0 . . . . . . . . . . . . A . 43 TRP CZ2 . . . . . . . . . rr_1awx 1 . 1 . 677 . 1 1 43 TRP CZ3 C 54.801 -5.830 7.473 . . . 1.0 . . . . . . . . . . . . A . 43 TRP CZ3 . . . . . . . . . rr_1awx 1 . 1 . 678 . 1 1 43 TRP H H 56.151 -0.344 10.068 . . . 1.0 . . . . . . . . . . . . A . 43 TRP H . . . . . . . . . rr_1awx 1 . 1 . 679 . 1 1 43 TRP HA H 55.001 -1.046 7.477 . . . 1.0 . . . . . . . . . . . . A . 43 TRP HA . . . . . . . . . rr_1awx 1 . 1 . 680 . 1 1 43 TRP HB2 H 53.805 -0.990 10.267 . . . 1.0 . . . . . . . . . . . . A . 43 TRP HB2 . . . . . . . . . rr_1awx 1 . 1 . 681 . 1 1 43 TRP HB3 H 53.170 -1.865 8.893 . . . 1.0 . . . . . . . . . . . . A . 43 TRP HB3 . . . . . . . . . rr_1awx 1 . 1 . 682 . 1 1 43 TRP HD1 H 55.900 -1.911 11.449 . . . 1.0 . . . . . . . . . . . . A . 43 TRP HD1 . . . . . . . . . rr_1awx 1 . 1 . 683 . 1 1 43 TRP HE1 H 57.073 -4.211 11.445 . . . 1.0 . . . . . . . . . . . . A . 43 TRP HE1 . . . . . . . . . rr_1awx 1 . 1 . 684 . 1 1 43 TRP HE3 H 53.739 -3.963 7.321 . . . 1.0 . . . . . . . . . . . . A . 43 TRP HE3 . . . . . . . . . rr_1awx 1 . 1 . 685 . 1 1 43 TRP HH2 H 55.997 -7.579 7.868 . . . 1.0 . . . . . . . . . . . . A . 43 TRP HH2 . . . . . . . . . rr_1awx 1 . 1 . 686 . 1 1 43 TRP HZ2 H 57.075 -6.610 9.882 . . . 1.0 . . . . . . . . . . . . A . 43 TRP HZ2 . . . . . . . . . rr_1awx 1 . 1 . 687 . 1 1 43 TRP HZ3 H 54.333 -6.254 6.597 . . . 1.0 . . . . . . . . . . . . A . 43 TRP HZ3 . . . . . . . . . rr_1awx 1 . 1 . 688 . 1 1 43 TRP N N 56.057 -0.182 9.107 . . . 1.0 . . . . . . . . . . . . A . 43 TRP N . . . . . . . . . rr_1awx 1 . 1 . 689 . 1 1 43 TRP NE1 N 56.411 -3.935 10.776 . . . 1.0 . . . . . . . . . . . . A . 43 TRP NE1 . . . . . . . . . rr_1awx 1 . 1 . 690 . 1 1 43 TRP O O 53.613 1.425 9.093 . . . 1.0 . . . . . . . . . . . . A . 43 TRP O . . . . . . . . . rr_1awx 1 . 1 . 691 . 1 1 44 TRP C C 51.327 1.705 6.218 . . . 1.0 . . . . . . . . . . . . A . 44 TRP C . . . . . . . . . rr_1awx 1 . 1 . 692 . 1 1 44 TRP CA C 52.738 2.141 6.625 . . . 1.0 . . . . . . . . . . . . A . 44 TRP CA . . . . . . . . . rr_1awx 1 . 1 . 693 . 1 1 44 TRP CB C 53.419 2.779 5.412 . . . 1.0 . . . . . . . . . . . . A . 44 TRP CB . . . . . . . . . rr_1awx 1 . 1 . 694 . 1 1 44 TRP CD1 C 55.360 3.523 6.888 . . . 1.0 . . . . . . . . . . . . A . 44 TRP CD1 . . . . . . . . . rr_1awx 1 . 1 . 695 . 1 1 44 TRP CD2 C 55.918 3.205 4.735 . . . 1.0 . . . . . . . . . . . . A . 44 TRP CD2 . . . . . . . . . rr_1awx 1 . 1 . 696 . 1 1 44 TRP CE2 C 57.099 3.605 5.394 . . . 1.0 . . . . . . . . . . . . A . 44 TRP CE2 . . . . . . . . . rr_1awx 1 . 1 . 697 . 1 1 44 TRP CE3 C 55.975 2.937 3.360 . . . 1.0 . . . . . . . . . . . . A . 44 TRP CE3 . . . . . . . . . rr_1awx 1 . 1 . 698 . 1 1 44 TRP CG C 54.837 3.150 5.693 . . . 1.0 . . . . . . . . . . . . A . 44 TRP CG . . . . . . . . . rr_1awx 1 . 1 . 699 . 1 1 44 TRP CH2 C 58.345 3.468 3.328 . . . 1.0 . . . . . . . . . . . . A . 44 TRP CH2 . . . . . . . . . rr_1awx 1 . 1 . 700 . 1 1 44 TRP CZ2 C 58.306 3.738 4.703 . . . 1.0 . . . . . . . . . . . . A . 44 TRP CZ2 . . . . . . . . . rr_1awx 1 . 1 . 701 . 1 1 44 TRP CZ3 C 57.176 3.068 2.659 . . . 1.0 . . . . . . . . . . . . A . 44 TRP CZ3 . . . . . . . . . rr_1awx 1 . 1 . 702 . 1 1 44 TRP H H 53.841 0.346 6.221 . . . 1.0 . . . . . . . . . . . . A . 44 TRP H . . . . . . . . . rr_1awx 1 . 1 . 703 . 1 1 44 TRP HA H 52.712 2.833 7.451 . . . 1.0 . . . . . . . . . . . . A . 44 TRP HA . . . . . . . . . rr_1awx 1 . 1 . 704 . 1 1 44 TRP HB2 H 53.406 2.075 4.586 . . . 1.0 . . . . . . . . . . . . A . 44 TRP HB2 . . . . . . . . . rr_1awx 1 . 1 . 705 . 1 1 44 TRP HB3 H 52.877 3.661 5.126 . . . 1.0 . . . . . . . . . . . . A . 44 TRP HB3 . . . . . . . . . rr_1awx 1 . 1 . 706 . 1 1 44 TRP HD1 H 54.817 3.598 7.823 . . . 1.0 . . . . . . . . . . . . A . 44 TRP HD1 . . . . . . . . . rr_1awx 1 . 1 . 707 . 1 1 44 TRP HE1 H 57.329 4.072 7.417 . . . 1.0 . . . . . . . . . . . . A . 44 TRP HE1 . . . . . . . . . rr_1awx 1 . 1 . 708 . 1 1 44 TRP HE3 H 55.081 2.628 2.839 . . . 1.0 . . . . . . . . . . . . A . 44 TRP HE3 . . . . . . . . . rr_1awx 1 . 1 . 709 . 1 1 44 TRP HH2 H 59.272 3.569 2.783 . . . 1.0 . . . . . . . . . . . . A . 44 TRP HH2 . . . . . . . . . rr_1awx 1 . 1 . 710 . 1 1 44 TRP HZ2 H 59.200 4.046 5.224 . . . 1.0 . . . . . . . . . . . . A . 44 TRP HZ2 . . . . . . . . . rr_1awx 1 . 1 . 711 . 1 1 44 TRP HZ3 H 57.197 2.862 1.599 . . . 1.0 . . . . . . . . . . . . A . 44 TRP HZ3 . . . . . . . . . rr_1awx 1 . 1 . 712 . 1 1 44 TRP N N 53.568 0.946 6.943 . . . 1.0 . . . . . . . . . . . . A . 44 TRP N . . . . . . . . . rr_1awx 1 . 1 . 713 . 1 1 44 TRP NE1 N 56.711 3.788 6.711 . . . 1.0 . . . . . . . . . . . . A . 44 TRP NE1 . . . . . . . . . rr_1awx 1 . 1 . 714 . 1 1 44 TRP O O 50.919 0.587 6.451 . . . 1.0 . . . . . . . . . . . . A . 44 TRP O . . . . . . . . . rr_1awx 1 . 1 . 715 . 1 1 45 ARG C C 49.209 2.625 3.590 . . . 1.0 . . . . . . . . . . . . A . 45 ARG C . . . . . . . . . rr_1awx 1 . 1 . 716 . 1 1 45 ARG CA C 49.247 2.243 5.072 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CA . . . . . . . . . rr_1awx 1 . 1 . 717 . 1 1 45 ARG CB C 48.288 3.109 5.890 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CB . . . . . . . . . rr_1awx 1 . 1 . 718 . 1 1 45 ARG CD C 46.188 3.033 7.242 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CD . . . . . . . . . rr_1awx 1 . 1 . 719 . 1 1 45 ARG CG C 46.987 2.342 6.134 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CG . . . . . . . . . rr_1awx 1 . 1 . 720 . 1 1 45 ARG CZ C 44.039 2.487 8.213 . . . 1.0 . . . . . . . . . . . . A . 45 ARG CZ . . . . . . . . . rr_1awx 1 . 1 . 721 . 1 1 45 ARG H H 50.982 3.460 5.370 . . . 1.0 . . . . . . . . . . . . A . 45 ARG H . . . . . . . . . rr_1awx 1 . 1 . 722 . 1 1 45 ARG HA H 49.038 1.193 5.213 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HA . . . . . . . . . rr_1awx 1 . 1 . 723 . 1 1 45 ARG HB2 H 48.745 3.356 6.837 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HB2 . . . . . . . . . rr_1awx 1 . 1 . 724 . 1 1 45 ARG HB3 H 48.071 4.017 5.347 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HB3 . . . . . . . . . rr_1awx 1 . 1 . 725 . 1 1 45 ARG HD2 H 46.825 3.230 8.094 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HD2 . . . . . . . . . rr_1awx 1 . 1 . 726 . 1 1 45 ARG HD3 H 45.752 3.949 6.876 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HD3 . . . . . . . . . rr_1awx 1 . 1 . 727 . 1 1 45 ARG HE H 45.215 1.116 7.390 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HE . . . . . . . . . rr_1awx 1 . 1 . 728 . 1 1 45 ARG HG2 H 46.403 2.325 5.225 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HG2 . . . . . . . . . rr_1awx 1 . 1 . 729 . 1 1 45 ARG HG3 H 47.216 1.331 6.435 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HG3 . . . . . . . . . rr_1awx 1 . 1 . 730 . 1 1 45 ARG HH11 H 45.022 3.126 9.836 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH11 . . . . . . . . . rr_1awx 1 . 1 . 731 . 1 1 45 ARG HH12 H 43.305 3.354 9.862 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH12 . . . . . . . . . rr_1awx 1 . 1 . 732 . 1 1 45 ARG HH21 H 42.806 1.947 6.732 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH21 . . . . . . . . . rr_1awx 1 . 1 . 733 . 1 1 45 ARG HH22 H 42.050 2.687 8.104 . . . 1.0 . . . . . . . . . . . . A . 45 ARG HH22 . . . . . . . . . rr_1awx 1 . 1 . 734 . 1 1 45 ARG N N 50.608 2.579 5.567 . . . 1.0 . . . . . . . . . . . . A . 45 ARG N . . . . . . . . . rr_1awx 1 . 1 . 735 . 1 1 45 ARG NE N 45.115 2.067 7.606 . . . 1.0 . . . . . . . . . . . . A . 45 ARG NE . . . . . . . . . rr_1awx 1 . 1 . 736 . 1 1 45 ARG NH1 N 44.129 3.032 9.396 . . . 1.0 . . . . . . . . . . . . A . 45 ARG NH1 . . . . . . . . . rr_1awx 1 . 1 . 737 . 1 1 45 ARG NH2 N 42.874 2.364 7.638 . . . 1.0 . . . . . . . . . . . . A . 45 ARG NH2 . . . . . . . . . rr_1awx 1 . 1 . 738 . 1 1 45 ARG O O 48.627 3.620 3.207 . . . 1.0 . . . . . . . . . . . . A . 45 ARG O . . . . . . . . . rr_1awx 1 . 1 . 739 . 1 1 46 ALA C C 49.055 1.226 0.502 . . . 1.0 . . . . . . . . . . . . A . 46 ALA C . . . . . . . . . rr_1awx 1 . 1 . 740 . 1 1 46 ALA CA C 49.943 2.176 1.308 . . . 1.0 . . . . . . . . . . . . A . 46 ALA CA . . . . . . . . . rr_1awx 1 . 1 . 741 . 1 1 46 ALA CB C 51.427 1.980 0.946 . . . 1.0 . . . . . . . . . . . . A . 46 ALA CB . . . . . . . . . rr_1awx 1 . 1 . 742 . 1 1 46 ALA H H 50.352 1.078 3.114 . . . 1.0 . . . . . . . . . . . . A . 46 ALA H . . . . . . . . . rr_1awx 1 . 1 . 743 . 1 1 46 ALA HA H 49.656 3.200 1.133 . . . 1.0 . . . . . . . . . . . . A . 46 ALA HA . . . . . . . . . rr_1awx 1 . 1 . 744 . 1 1 46 ALA HB1 H 52.019 1.944 1.850 . . . 1.0 . . . . . . . . . . . . A . 46 ALA HB1 . . . . . . . . . rr_1awx 1 . 1 . 745 . 1 1 46 ALA HB2 H 51.550 1.059 0.400 . . . 1.0 . . . . . . . . . . . . A . 46 ALA HB2 . . . . . . . . . rr_1awx 1 . 1 . 746 . 1 1 46 ALA HB3 H 51.765 2.801 0.335 . . . 1.0 . . . . . . . . . . . . A . 46 ALA HB3 . . . . . . . . . rr_1awx 1 . 1 . 747 . 1 1 46 ALA N N 49.873 1.856 2.766 . . . 1.0 . . . . . . . . . . . . A . 46 ALA N . . . . . . . . . rr_1awx 1 . 1 . 748 . 1 1 46 ALA O O 48.739 0.137 0.942 . . . 1.0 . . . . . . . . . . . . A . 46 ALA O . . . . . . . . . rr_1awx 1 . 1 . 749 . 1 1 47 ARG C C 48.557 0.230 -2.721 . . . 1.0 . . . . . . . . . . . . A . 47 ARG C . . . . . . . . . rr_1awx 1 . 1 . 750 . 1 1 47 ARG CA C 47.782 0.755 -1.517 . . . 1.0 . . . . . . . . . . . . A . 47 ARG CA . . . . . . . . . rr_1awx 1 . 1 . 751 . 1 1 47 ARG CB C 46.637 1.640 -1.996 . . . 1.0 . . . . . . . . . . . . A . 47 ARG CB . . . . . . . . . rr_1awx 1 . 1 . 752 . 1 1 47 ARG CD C 45.211 3.444 -1.000 . . . 1.0 . . . . . . . . . . . . A . 47 ARG CD . . . . . . . . . rr_1awx 1 . 1 . 753 . 1 1 47 ARG CG C 45.743 2.016 -0.817 . . . 1.0 . . . . . . . . . . . . A . 47 ARG CG . . . . . . . . . rr_1awx 1 . 1 . 754 . 1 1 47 ARG CZ C 43.089 4.079 -1.978 . . . 1.0 . . . . . . . . . . . . A . 47 ARG CZ . . . . . . . . . rr_1awx 1 . 1 . 755 . 1 1 47 ARG H H 48.919 2.518 -1.011 . . . 1.0 . . . . . . . . . . . . A . 47 ARG H . . . . . . . . . rr_1awx 1 . 1 . 756 . 1 1 47 ARG HA H 47.394 -0.064 -0.932 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HA . . . . . . . . . rr_1awx 1 . 1 . 757 . 1 1 47 ARG HB2 H 47.037 2.536 -2.448 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HB2 . . . . . . . . . rr_1awx 1 . 1 . 758 . 1 1 47 ARG HB3 H 46.056 1.096 -2.724 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HB3 . . . . . . . . . rr_1awx 1 . 1 . 759 . 1 1 47 ARG HD2 H 45.432 4.039 -0.125 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HD2 . . . . . . . . . rr_1awx 1 . 1 . 760 . 1 1 47 ARG HD3 H 45.637 3.899 -1.881 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HD3 . . . . . . . . . rr_1awx 1 . 1 . 761 . 1 1 47 ARG HE H 43.259 2.598 -0.667 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HE . . . . . . . . . rr_1awx 1 . 1 . 762 . 1 1 47 ARG HG2 H 44.916 1.323 -0.766 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HG2 . . . . . . . . . rr_1awx 1 . 1 . 763 . 1 1 47 ARG HG3 H 46.314 1.961 0.098 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HG3 . . . . . . . . . rr_1awx 1 . 1 . 764 . 1 1 47 ARG HH11 H 43.996 5.743 -1.333 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HH11 . . . . . . . . . rr_1awx 1 . 1 . 765 . 1 1 47 ARG HH12 H 42.822 5.967 -2.587 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HH12 . . . . . . . . . rr_1awx 1 . 1 . 766 . 1 1 47 ARG HH21 H 42.031 2.598 -2.812 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HH21 . . . . . . . . . rr_1awx 1 . 1 . 767 . 1 1 47 ARG HH22 H 41.709 4.186 -3.425 . . . 1.0 . . . . . . . . . . . . A . 47 ARG HH22 . . . . . . . . . rr_1awx 1 . 1 . 768 . 1 1 47 ARG N N 48.650 1.633 -0.678 . . . 1.0 . . . . . . . . . . . . A . 47 ARG N . . . . . . . . . rr_1awx 1 . 1 . 769 . 1 1 47 ARG NE N 43.739 3.291 -1.167 . . . 1.0 . . . . . . . . . . . . A . 47 ARG NE . . . . . . . . . rr_1awx 1 . 1 . 770 . 1 1 47 ARG NH1 N 43.320 5.363 -1.965 . . . 1.0 . . . . . . . . . . . . A . 47 ARG NH1 . . . . . . . . . rr_1awx 1 . 1 . 771 . 1 1 47 ARG NH2 N 42.208 3.582 -2.803 . . . 1.0 . . . . . . . . . . . . A . 47 ARG NH2 . . . . . . . . . rr_1awx 1 . 1 . 772 . 1 1 47 ARG O O 49.562 0.788 -3.114 . . . 1.0 . . . . . . . . . . . . A . 47 ARG O . . . . . . . . . rr_1awx 1 . 1 . 773 . 1 1 48 ASP C C 48.083 -0.943 -5.787 . . . 1.0 . . . . . . . . . . . . A . 48 ASP C . . . . . . . . . rr_1awx 1 . 1 . 774 . 1 1 48 ASP CA C 48.778 -1.405 -4.497 . . . 1.0 . . . . . . . . . . . . A . 48 ASP CA . . . . . . . . . rr_1awx 1 . 1 . 775 . 1 1 48 ASP CB C 48.671 -2.925 -4.309 . . . 1.0 . . . . . . . . . . . . A . 48 ASP CB . . . . . . . . . rr_1awx 1 . 1 . 776 . 1 1 48 ASP CG C 47.203 -3.377 -4.353 . . . 1.0 . . . . . . . . . . . . A . 48 ASP CG . . . . . . . . . rr_1awx 1 . 1 . 777 . 1 1 48 ASP H H 47.271 -1.257 -2.975 . . . 1.0 . . . . . . . . . . . . A . 48 ASP H . . . . . . . . . rr_1awx 1 . 1 . 778 . 1 1 48 ASP HA H 49.814 -1.104 -4.503 . . . 1.0 . . . . . . . . . . . . A . 48 ASP HA . . . . . . . . . rr_1awx 1 . 1 . 779 . 1 1 48 ASP HB2 H 49.218 -3.418 -5.090 . . . 1.0 . . . . . . . . . . . . A . 48 ASP HB2 . . . . . . . . . rr_1awx 1 . 1 . 780 . 1 1 48 ASP HB3 H 49.095 -3.195 -3.355 . . . 1.0 . . . . . . . . . . . . A . 48 ASP HB3 . . . . . . . . . rr_1awx 1 . 1 . 781 . 1 1 48 ASP N N 48.086 -0.834 -3.311 . . . 1.0 . . . . . . . . . . . . A . 48 ASP N . . . . . . . . . rr_1awx 1 . 1 . 782 . 1 1 48 ASP O O 47.472 0.109 -5.826 . . . 1.0 . . . . . . . . . . . . A . 48 ASP O . . . . . . . . . rr_1awx 1 . 1 . 783 . 1 1 48 ASP OD1 O 46.337 -2.560 -4.084 . . . 1.0 . . . . . . . . . . . . A . 48 ASP OD1 . . . . . . . . . rr_1awx 1 . 1 . 784 . 1 1 48 ASP OD2 O 46.972 -4.536 -4.656 . . . 1.0 . . . . . . . . . . . . A . 48 ASP OD2 . . . . . . . . . rr_1awx 1 . 1 . 785 . 1 1 49 LYS C C 46.141 -1.995 -8.238 . . . 1.0 . . . . . . . . . . . . A . 49 LYS C . . . . . . . . . rr_1awx 1 . 1 . 786 . 1 1 49 LYS CA C 47.516 -1.331 -8.121 . . . 1.0 . . . . . . . . . . . . A . 49 LYS CA . . . . . . . . . rr_1awx 1 . 1 . 787 . 1 1 49 LYS CB C 48.454 -1.842 -9.216 . . . 1.0 . . . . . . . . . . . . A . 49 LYS CB . . . . . . . . . rr_1awx 1 . 1 . 788 . 1 1 49 LYS CD C 50.234 -0.853 -10.668 . . . 1.0 . . . . . . . . . . . . A . 49 LYS CD . . . . . . . . . rr_1awx 1 . 1 . 789 . 1 1 49 LYS CE C 49.687 0.443 -11.269 . . . 1.0 . . . . . . . . . . . . A . 49 LYS CE . . . . . . . . . rr_1awx 1 . 1 . 790 . 1 1 49 LYS CG C 49.732 -1.000 -9.229 . . . 1.0 . . . . . . . . . . . . A . 49 LYS CG . . . . . . . . . rr_1awx 1 . 1 . 791 . 1 1 49 LYS H H 48.668 -2.563 -6.780 . . . 1.0 . . . . . . . . . . . . A . 49 LYS H . . . . . . . . . rr_1awx 1 . 1 . 792 . 1 1 49 LYS HA H 47.424 -0.259 -8.186 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HA . . . . . . . . . rr_1awx 1 . 1 . 793 . 1 1 49 LYS HB2 H 48.704 -2.876 -9.021 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HB2 . . . . . . . . . rr_1awx 1 . 1 . 794 . 1 1 49 LYS HB3 H 47.964 -1.764 -10.174 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HB3 . . . . . . . . . rr_1awx 1 . 1 . 795 . 1 1 49 LYS HD2 H 51.314 -0.826 -10.671 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HD2 . . . . . . . . . rr_1awx 1 . 1 . 796 . 1 1 49 LYS HD3 H 49.893 -1.692 -11.255 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HD3 . . . . . . . . . rr_1awx 1 . 1 . 797 . 1 1 49 LYS HE2 H 48.650 0.576 -10.993 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HE2 . . . . . . . . . rr_1awx 1 . 1 . 798 . 1 1 49 LYS HE3 H 50.275 1.287 -10.944 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HE3 . . . . . . . . . rr_1awx 1 . 1 . 799 . 1 1 49 LYS HG2 H 49.524 -0.023 -8.818 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HG2 . . . . . . . . . rr_1awx 1 . 1 . 800 . 1 1 49 LYS HG3 H 50.491 -1.487 -8.634 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HG3 . . . . . . . . . rr_1awx 1 . 1 . 801 . 1 1 49 LYS HZ1 H 49.292 -0.583 -13.037 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HZ1 . . . . . . . . . rr_1awx 1 . 1 . 802 . 1 1 49 LYS HZ2 H 49.427 1.100 -13.227 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HZ2 . . . . . . . . . rr_1awx 1 . 1 . 803 . 1 1 49 LYS HZ3 H 50.819 0.161 -12.993 . . . 1.0 . . . . . . . . . . . . A . 49 LYS HZ3 . . . . . . . . . rr_1awx 1 . 1 . 804 . 1 1 49 LYS N N 48.171 -1.721 -6.837 . . . 1.0 . . . . . . . . . . . . A . 49 LYS N . . . . . . . . . rr_1awx 1 . 1 . 805 . 1 1 49 LYS NZ N 49.816 0.267 -12.743 . . . 1.0 . . . . . . . . . . . . A . 49 LYS NZ . . . . . . . . . rr_1awx 1 . 1 . 806 . 1 1 49 LYS O O 45.722 -2.384 -9.312 . . . 1.0 . . . . . . . . . . . . A . 49 LYS O . . . . . . . . . rr_1awx 1 . 1 . 807 . 1 1 50 ASN C C 43.090 -1.939 -6.345 . . . 1.0 . . . . . . . . . . . . A . 50 ASN C . . . . . . . . . rr_1awx 1 . 1 . 808 . 1 1 50 ASN CA C 44.091 -2.752 -7.177 . . . 1.0 . . . . . . . . . . . . A . 50 ASN CA . . . . . . . . . rr_1awx 1 . 1 . 809 . 1 1 50 ASN CB C 44.287 -4.143 -6.572 . . . 1.0 . . . . . . . . . . . . A . 50 ASN CB . . . . . . . . . rr_1awx 1 . 1 . 810 . 1 1 50 ASN CG C 44.675 -5.131 -7.674 . . . 1.0 . . . . . . . . . . . . A . 50 ASN CG . . . . . . . . . rr_1awx 1 . 1 . 811 . 1 1 50 ASN H H 45.794 -1.799 -6.296 . . . 1.0 . . . . . . . . . . . . A . 50 ASN H . . . . . . . . . rr_1awx 1 . 1 . 812 . 1 1 50 ASN HA H 43.755 -2.837 -8.190 . . . 1.0 . . . . . . . . . . . . A . 50 ASN HA . . . . . . . . . rr_1awx 1 . 1 . 813 . 1 1 50 ASN HB2 H 45.070 -4.106 -5.829 . . . 1.0 . . . . . . . . . . . . A . 50 ASN HB2 . . . . . . . . . rr_1awx 1 . 1 . 814 . 1 1 50 ASN HB3 H 43.367 -4.467 -6.109 . . . 1.0 . . . . . . . . . . . . A . 50 ASN HB3 . . . . . . . . . rr_1awx 1 . 1 . 815 . 1 1 50 ASN HD21 H 43.959 -6.710 -6.707 . . . 1.0 . . . . . . . . . . . . A . 50 ASN HD21 . . . . . . . . . rr_1awx 1 . 1 . 816 . 1 1 50 ASN HD22 H 44.650 -7.040 -8.222 . . . 1.0 . . . . . . . . . . . . A . 50 ASN HD22 . . . . . . . . . rr_1awx 1 . 1 . 817 . 1 1 50 ASN N N 45.438 -2.122 -7.141 . . . 1.0 . . . . . . . . . . . . A . 50 ASN N . . . . . . . . . rr_1awx 1 . 1 . 818 . 1 1 50 ASN ND2 N 44.406 -6.399 -7.521 . . . 1.0 . . . . . . . . . . . . A . 50 ASN ND2 . . . . . . . . . rr_1awx 1 . 1 . 819 . 1 1 50 ASN O O 42.062 -2.445 -5.937 . . . 1.0 . . . . . . . . . . . . A . 50 ASN O . . . . . . . . . rr_1awx 1 . 1 . 820 . 1 1 50 ASN OD1 O 45.228 -4.745 -8.685 . . . 1.0 . . . . . . . . . . . . A . 50 ASN OD1 . . . . . . . . . rr_1awx 1 . 1 . 821 . 1 1 51 GLY C C 42.279 -0.432 -3.893 . . . 1.0 . . . . . . . . . . . . A . 51 GLY C . . . . . . . . . rr_1awx 1 . 1 . 822 . 1 1 51 GLY CA C 42.446 0.162 -5.294 . . . 1.0 . . . . . . . . . . . . A . 51 GLY CA . . . . . . . . . rr_1awx 1 . 1 . 823 . 1 1 51 GLY H H 44.213 -0.297 -6.436 . . . 1.0 . . . . . . . . . . . . A . 51 GLY H . . . . . . . . . rr_1awx 1 . 1 . 824 . 1 1 51 GLY HA2 H 42.846 1.163 -5.216 . . . 1.0 . . . . . . . . . . . . A . 51 GLY HA2 . . . . . . . . . rr_1awx 1 . 1 . 825 . 1 1 51 GLY HA3 H 41.484 0.197 -5.783 . . . 1.0 . . . . . . . . . . . . A . 51 GLY HA3 . . . . . . . . . rr_1awx 1 . 1 . 826 . 1 1 51 GLY N N 43.381 -0.684 -6.095 . . . 1.0 . . . . . . . . . . . . A . 51 GLY N . . . . . . . . . rr_1awx 1 . 1 . 827 . 1 1 51 GLY O O 41.241 -0.293 -3.272 . . . 1.0 . . . . . . . . . . . . A . 51 GLY O . . . . . . . . . rr_1awx 1 . 1 . 828 . 1 1 52 GLN C C 44.313 -1.156 -1.132 . . . 1.0 . . . . . . . . . . . . A . 52 GLN C . . . . . . . . . rr_1awx 1 . 1 . 829 . 1 1 52 GLN CA C 43.201 -1.700 -2.033 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CA . . . . . . . . . rr_1awx 1 . 1 . 830 . 1 1 52 GLN CB C 43.381 -3.200 -2.260 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CB . . . . . . . . . rr_1awx 1 . 1 . 831 . 1 1 52 GLN CD C 42.018 -5.265 -1.908 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CD . . . . . . . . . rr_1awx 1 . 1 . 832 . 1 1 52 GLN CG C 42.015 -3.850 -2.489 . . . 1.0 . . . . . . . . . . . . A . 52 GLN CG . . . . . . . . . rr_1awx 1 . 1 . 833 . 1 1 52 GLN H H 44.116 -1.190 -3.915 . . . 1.0 . . . . . . . . . . . . A . 52 GLN H . . . . . . . . . rr_1awx 1 . 1 . 834 . 1 1 52 GLN HA H 42.234 -1.506 -1.598 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HA . . . . . . . . . rr_1awx 1 . 1 . 835 . 1 1 52 GLN HB2 H 44.006 -3.360 -3.127 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HB2 . . . . . . . . . rr_1awx 1 . 1 . 836 . 1 1 52 GLN HB3 H 43.847 -3.641 -1.394 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HB3 . . . . . . . . . rr_1awx 1 . 1 . 837 . 1 1 52 GLN HE21 H 40.989 -6.041 -3.418 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HE21 . . . . . . . . . rr_1awx 1 . 1 . 838 . 1 1 52 GLN HE22 H 41.426 -7.138 -2.198 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HE22 . . . . . . . . . rr_1awx 1 . 1 . 839 . 1 1 52 GLN HG2 H 41.250 -3.262 -2.003 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HG2 . . . . . . . . . rr_1awx 1 . 1 . 840 . 1 1 52 GLN HG3 H 41.812 -3.899 -3.549 . . . 1.0 . . . . . . . . . . . . A . 52 GLN HG3 . . . . . . . . . rr_1awx 1 . 1 . 841 . 1 1 52 GLN N N 43.292 -1.092 -3.394 . . . 1.0 . . . . . . . . . . . . A . 52 GLN N . . . . . . . . . rr_1awx 1 . 1 . 842 . 1 1 52 GLN NE2 N 41.429 -6.228 -2.562 . . . 1.0 . . . . . . . . . . . . A . 52 GLN NE2 . . . . . . . . . rr_1awx 1 . 1 . 843 . 1 1 52 GLN O O 45.433 -0.960 -1.565 . . . 1.0 . . . . . . . . . . . . A . 52 GLN O . . . . . . . . . rr_1awx 1 . 1 . 844 . 1 1 52 GLN OE1 O 42.563 -5.497 -0.847 . . . 1.0 . . . . . . . . . . . . A . 52 GLN OE1 . . . . . . . . . rr_1awx 1 . 1 . 845 . 1 1 53 GLU C C 45.436 -1.461 2.073 . . . 1.0 . . . . . . . . . . . . A . 53 GLU C . . . . . . . . . rr_1awx 1 . 1 . 846 . 1 1 53 GLU CA C 45.044 -0.386 1.059 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CA . . . . . . . . . rr_1awx 1 . 1 . 847 . 1 1 53 GLU CB C 44.384 0.808 1.762 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CB . . . . . . . . . rr_1awx 1 . 1 . 848 . 1 1 53 GLU CD C 42.682 1.428 3.487 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CD . . . . . . . . . rr_1awx 1 . 1 . 849 . 1 1 53 GLU CG C 43.109 0.357 2.482 . . . 1.0 . . . . . . . . . . . . A . 53 GLU CG . . . . . . . . . rr_1awx 1 . 1 . 850 . 1 1 53 GLU H H 43.099 -1.084 0.440 . . . 1.0 . . . . . . . . . . . . A . 53 GLU H . . . . . . . . . rr_1awx 1 . 1 . 851 . 1 1 53 GLU HA H 45.912 -0.057 0.513 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HA . . . . . . . . . rr_1awx 1 . 1 . 852 . 1 1 53 GLU HB2 H 45.073 1.225 2.482 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HB2 . . . . . . . . . rr_1awx 1 . 1 . 853 . 1 1 53 GLU HB3 H 44.132 1.562 1.032 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HB3 . . . . . . . . . rr_1awx 1 . 1 . 854 . 1 1 53 GLU HG2 H 42.321 0.207 1.758 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HG2 . . . . . . . . . rr_1awx 1 . 1 . 855 . 1 1 53 GLU HG3 H 43.299 -0.568 3.005 . . . 1.0 . . . . . . . . . . . . A . 53 GLU HG3 . . . . . . . . . rr_1awx 1 . 1 . 856 . 1 1 53 GLU N N 44.009 -0.915 0.118 . . . 1.0 . . . . . . . . . . . . A . 53 GLU N . . . . . . . . . rr_1awx 1 . 1 . 857 . 1 1 53 GLU O O 44.654 -2.337 2.394 . . . 1.0 . . . . . . . . . . . . A . 53 GLU O . . . . . . . . . rr_1awx 1 . 1 . 858 . 1 1 53 GLU OE1 O 42.302 2.502 3.051 . . . 1.0 . . . . . . . . . . . . A . 53 GLU OE1 . . . . . . . . . rr_1awx 1 . 1 . 859 . 1 1 53 GLU OE2 O 42.744 1.157 4.675 . . . 1.0 . . . . . . . . . . . . A . 53 GLU OE2 . . . . . . . . . rr_1awx 1 . 1 . 860 . 1 1 54 GLY C C 48.397 -1.926 4.193 . . . 1.0 . . . . . . . . . . . . A . 54 GLY C . . . . . . . . . rr_1awx 1 . 1 . 861 . 1 1 54 GLY CA C 47.089 -2.405 3.580 . . . 1.0 . . . . . . . . . . . . A . 54 GLY CA . . . . . . . . . rr_1awx 1 . 1 . 862 . 1 1 54 GLY H H 47.253 -0.672 2.310 . . . 1.0 . . . . . . . . . . . . A . 54 GLY H . . . . . . . . . rr_1awx 1 . 1 . 863 . 1 1 54 GLY HA2 H 46.339 -2.505 4.353 . . . 1.0 . . . . . . . . . . . . A . 54 GLY HA2 . . . . . . . . . rr_1awx 1 . 1 . 864 . 1 1 54 GLY HA3 H 47.241 -3.357 3.097 . . . 1.0 . . . . . . . . . . . . A . 54 GLY HA3 . . . . . . . . . rr_1awx 1 . 1 . 865 . 1 1 54 GLY N N 46.639 -1.395 2.582 . . . 1.0 . . . . . . . . . . . . A . 54 GLY N . . . . . . . . . rr_1awx 1 . 1 . 866 . 1 1 54 GLY O O 48.657 -0.741 4.237 . . . 1.0 . . . . . . . . . . . . A . 54 GLY O . . . . . . . . . rr_1awx 1 . 1 . 867 . 1 1 55 TYR C C 51.693 -2.612 4.342 . . . 1.0 . . . . . . . . . . . . A . 55 TYR C . . . . . . . . . rr_1awx 1 . 1 . 868 . 1 1 55 TYR CA C 50.506 -2.381 5.282 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CA . . . . . . . . . rr_1awx 1 . 1 . 869 . 1 1 55 TYR CB C 50.654 -3.197 6.565 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CB . . . . . . . . . rr_1awx 1 . 1 . 870 . 1 1 55 TYR CD1 C 50.396 -1.525 8.433 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CD1 . . . . . . . . . rr_1awx 1 . 1 . 871 . 1 1 55 TYR CD2 C 48.530 -2.976 7.898 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CD2 . . . . . . . . . rr_1awx 1 . 1 . 872 . 1 1 55 TYR CE1 C 49.640 -0.924 9.446 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CE1 . . . . . . . . . rr_1awx 1 . 1 . 873 . 1 1 55 TYR CE2 C 47.773 -2.376 8.911 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CE2 . . . . . . . . . rr_1awx 1 . 1 . 874 . 1 1 55 TYR CG C 49.841 -2.551 7.659 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CG . . . . . . . . . rr_1awx 1 . 1 . 875 . 1 1 55 TYR CZ C 48.328 -1.350 9.685 . . . 1.0 . . . . . . . . . . . . A . 55 TYR CZ . . . . . . . . . rr_1awx 1 . 1 . 876 . 1 1 55 TYR H H 48.995 -3.773 4.632 . . . 1.0 . . . . . . . . . . . . A . 55 TYR H . . . . . . . . . rr_1awx 1 . 1 . 877 . 1 1 55 TYR HA H 50.432 -1.340 5.522 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HA . . . . . . . . . rr_1awx 1 . 1 . 878 . 1 1 55 TYR HB2 H 50.301 -4.202 6.396 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HB2 . . . . . . . . . rr_1awx 1 . 1 . 879 . 1 1 55 TYR HB3 H 51.693 -3.223 6.857 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HB3 . . . . . . . . . rr_1awx 1 . 1 . 880 . 1 1 55 TYR HD1 H 51.408 -1.196 8.248 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HD1 . . . . . . . . . rr_1awx 1 . 1 . 881 . 1 1 55 TYR HD2 H 48.103 -3.767 7.300 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HD2 . . . . . . . . . rr_1awx 1 . 1 . 882 . 1 1 55 TYR HE1 H 50.068 -0.133 10.043 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HE1 . . . . . . . . . rr_1awx 1 . 1 . 883 . 1 1 55 TYR HE2 H 46.761 -2.704 9.094 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HE2 . . . . . . . . . rr_1awx 1 . 1 . 884 . 1 1 55 TYR HH H 47.921 -1.063 11.528 . . . 1.0 . . . . . . . . . . . . A . 55 TYR HH . . . . . . . . . rr_1awx 1 . 1 . 885 . 1 1 55 TYR N N 49.222 -2.824 4.670 . . . 1.0 . . . . . . . . . . . . A . 55 TYR N . . . . . . . . . rr_1awx 1 . 1 . 886 . 1 1 55 TYR O O 51.708 -3.528 3.543 . . . 1.0 . . . . . . . . . . . . A . 55 TYR O . . . . . . . . . rr_1awx 1 . 1 . 887 . 1 1 55 TYR OH O 47.581 -0.758 10.683 . . . 1.0 . . . . . . . . . . . . A . 55 TYR OH . . . . . . . . . rr_1awx 1 . 1 . 888 . 1 1 56 ILE C C 55.162 -1.630 4.428 . . . 1.0 . . . . . . . . . . . . A . 56 ILE C . . . . . . . . . rr_1awx 1 . 1 . 889 . 1 1 56 ILE CA C 53.893 -1.877 3.569 . . . 1.0 . . . . . . . . . . . . A . 56 ILE CA . . . . . . . . . rr_1awx 1 . 1 . 890 . 1 1 56 ILE CB C 53.687 -0.760 2.517 . . . 1.0 . . . . . . . . . . . . A . 56 ILE CB . . . . . . . . . rr_1awx 1 . 1 . 891 . 1 1 56 ILE CD1 C 51.354 -1.186 1.751 . . . 1.0 . . . . . . . . . . . . A . 56 ILE CD1 . . . . . . . . . rr_1awx 1 . 1 . 892 . 1 1 56 ILE CG1 C 52.829 -1.299 1.376 . . . 1.0 . . . . . . . . . . . . A . 56 ILE CG1 . . . . . . . . . rr_1awx 1 . 1 . 893 . 1 1 56 ILE CG2 C 55.015 -0.266 1.932 . . . 1.0 . . . . . . . . . . . . A . 56 ILE CG2 . . . . . . . . . rr_1awx 1 . 1 . 894 . 1 1 56 ILE H H 52.630 -1.034 5.092 . . . 1.0 . . . . . . . . . . . . A . 56 ILE H . . . . . . . . . rr_1awx 1 . 1 . 895 . 1 1 56 ILE HA H 53.925 -2.844 3.082 . . . 1.0 . . . . . . . . . . . . A . 56 ILE HA . . . . . . . . . rr_1awx 1 . 1 . 896 . 1 1 56 ILE HB H 53.176 0.070 2.980 . . . 1.0 . . . . . . . . . . . . A . 56 ILE HB . . . . . . . . . rr_1awx 1 . 1 . 897 . 1 1 56 ILE HD11 H 51.252 -0.605 2.656 . . . 1.0 . . . . . . . . . . . . A . 56 ILE HD11 . . . . . . . . . rr_1awx 1 . 1 . 898 . 1 1 56 ILE HD12 H 50.819 -0.703 0.950 . . . 1.0 . . . . . . . . . . . . A . 56 ILE HD12 . . . . . . . . . rr_1awx 1 . 1 . 899 . 1 1 56 ILE HD13 H 50.952 -2.172 1.911 . . . 1.0 . . . . . . . . . . . . A . 56 ILE HD13 . . . . . . . . . rr_1awx 1 . 1 . 900 . 1 1 56 ILE HG12 H 53.019 -0.726 0.481 . . . 1.0 . . . . . . . . . . . . A . 56 ILE HG12 . . . . . . . . . rr_1awx 1 . 1 . 901 . 1 1 56 ILE HG13 H 53.075 -2.334 1.200 . . . 1.0 . . . . . . . . . . . . A . 56 ILE HG13 . . . . . . . . . rr_1awx 1 . 1 . 902 . 1 1 56 ILE HG21 H 55.681 -1.103 1.795 . . . 1.0 . . . . . . . . . . . . A . 56 ILE HG21 . . . . . . . . . rr_1awx 1 . 1 . 903 . 1 1 56 ILE HG22 H 54.831 0.211 0.980 . . . 1.0 . . . . . . . . . . . . A . 56 ILE HG22 . . . . . . . . . rr_1awx 1 . 1 . 904 . 1 1 56 ILE HG23 H 55.461 0.446 2.611 . . . 1.0 . . . . . . . . . . . . A . 56 ILE HG23 . . . . . . . . . rr_1awx 1 . 1 . 905 . 1 1 56 ILE N N 52.685 -1.763 4.440 . . . 1.0 . . . . . . . . . . . . A . 56 ILE N . . . . . . . . . rr_1awx 1 . 1 . 906 . 1 1 56 ILE O O 55.434 -0.496 4.771 . . . 1.0 . . . . . . . . . . . . A . 56 ILE O . . . . . . . . . rr_1awx 1 . 1 . 907 . 1 1 57 PRO C C 58.120 -1.553 4.815 . . . 1.0 . . . . . . . . . . . . A . 57 PRO C . . . . . . . . . rr_1awx 1 . 1 . 908 . 1 1 57 PRO CA C 57.146 -2.478 5.557 . . . 1.0 . . . . . . . . . . . . A . 57 PRO CA . . . . . . . . . rr_1awx 1 . 1 . 909 . 1 1 57 PRO CB C 57.709 -3.898 5.676 . . . 1.0 . . . . . . . . . . . . A . 57 PRO CB . . . . . . . . . rr_1awx 1 . 1 . 910 . 1 1 57 PRO CD C 55.601 -4.071 4.343 . . . 1.0 . . . . . . . . . . . . A . 57 PRO CD . . . . . . . . . rr_1awx 1 . 1 . 911 . 1 1 57 PRO CG C 56.777 -4.865 4.923 . . . 1.0 . . . . . . . . . . . . A . 57 PRO CG . . . . . . . . . rr_1awx 1 . 1 . 912 . 1 1 57 PRO HA H 56.908 -2.087 6.534 . . . 1.0 . . . . . . . . . . . . A . 57 PRO HA . . . . . . . . . rr_1awx 1 . 1 . 913 . 1 1 57 PRO HB2 H 58.699 -3.933 5.245 . . . 1.0 . . . . . . . . . . . . A . 57 PRO HB2 . . . . . . . . . rr_1awx 1 . 1 . 914 . 1 1 57 PRO HB3 H 57.756 -4.182 6.716 . . . 1.0 . . . . . . . . . . . . A . 57 PRO HB3 . . . . . . . . . rr_1awx 1 . 1 . 915 . 1 1 57 PRO HD2 H 55.573 -4.165 3.265 . . . 1.0 . . . . . . . . . . . . A . 57 PRO HD2 . . . . . . . . . rr_1awx 1 . 1 . 916 . 1 1 57 PRO HD3 H 54.669 -4.388 4.783 . . . 1.0 . . . . . . . . . . . . A . 57 PRO HD3 . . . . . . . . . rr_1awx 1 . 1 . 917 . 1 1 57 PRO HG2 H 57.321 -5.343 4.123 . . . 1.0 . . . . . . . . . . . . A . 57 PRO HG2 . . . . . . . . . rr_1awx 1 . 1 . 918 . 1 1 57 PRO HG3 H 56.404 -5.613 5.604 . . . 1.0 . . . . . . . . . . . . A . 57 PRO HG3 . . . . . . . . . rr_1awx 1 . 1 . 919 . 1 1 57 PRO N N 55.916 -2.674 4.749 . . . 1.0 . . . . . . . . . . . . A . 57 PRO N . . . . . . . . . rr_1awx 1 . 1 . 920 . 1 1 57 PRO O O 58.461 -1.788 3.672 . . . 1.0 . . . . . . . . . . . . A . 57 PRO O . . . . . . . . . rr_1awx 1 . 1 . 921 . 1 1 58 SER C C 60.731 -0.272 4.236 . . . 1.0 . . . . . . . . . . . . A . 58 SER C . . . . . . . . . rr_1awx 1 . 1 . 922 . 1 1 58 SER CA C 59.506 0.460 4.796 . . . 1.0 . . . . . . . . . . . . A . 58 SER CA . . . . . . . . . rr_1awx 1 . 1 . 923 . 1 1 58 SER CB C 59.927 1.430 5.900 . . . 1.0 . . . . . . . . . . . . A . 58 SER CB . . . . . . . . . rr_1awx 1 . 1 . 924 . 1 1 58 SER H H 58.262 -0.335 6.374 . . . 1.0 . . . . . . . . . . . . A . 58 SER H . . . . . . . . . rr_1awx 1 . 1 . 925 . 1 1 58 SER HA H 59.001 0.999 4.010 . . . 1.0 . . . . . . . . . . . . A . 58 SER HA . . . . . . . . . rr_1awx 1 . 1 . 926 . 1 1 58 SER HB2 H 59.055 1.912 6.311 . . . 1.0 . . . . . . . . . . . . A . 58 SER HB2 . . . . . . . . . rr_1awx 1 . 1 . 927 . 1 1 58 SER HB3 H 60.436 0.883 6.683 . . . 1.0 . . . . . . . . . . . . A . 58 SER HB3 . . . . . . . . . rr_1awx 1 . 1 . 928 . 1 1 58 SER HG H 61.588 2.442 5.890 . . . 1.0 . . . . . . . . . . . . A . 58 SER HG . . . . . . . . . rr_1awx 1 . 1 . 929 . 1 1 58 SER N N 58.560 -0.500 5.457 . . . 1.0 . . . . . . . . . . . . A . 58 SER N . . . . . . . . . rr_1awx 1 . 1 . 930 . 1 1 58 SER O O 61.166 -0.011 3.130 . . . 1.0 . . . . . . . . . . . . A . 58 SER O . . . . . . . . . rr_1awx 1 . 1 . 931 . 1 1 58 SER OG O 60.792 2.416 5.354 . . . 1.0 . . . . . . . . . . . . A . 58 SER OG . . . . . . . . . rr_1awx 1 . 1 . 932 . 1 1 59 ASN C C 62.131 -2.744 3.260 . . . 1.0 . . . . . . . . . . . . A . 59 ASN C . . . . . . . . . rr_1awx 1 . 1 . 933 . 1 1 59 ASN CA C 62.485 -1.934 4.511 . . . 1.0 . . . . . . . . . . . . A . 59 ASN CA . . . . . . . . . rr_1awx 1 . 1 . 934 . 1 1 59 ASN CB C 62.877 -2.848 5.686 . . . 1.0 . . . . . . . . . . . . A . 59 ASN CB . . . . . . . . . rr_1awx 1 . 1 . 935 . 1 1 59 ASN CG C 61.871 -3.996 5.864 . . . 1.0 . . . . . . . . . . . . A . 59 ASN CG . . . . . . . . . rr_1awx 1 . 1 . 936 . 1 1 59 ASN H H 60.913 -1.370 5.880 . . . 1.0 . . . . . . . . . . . . A . 59 ASN H . . . . . . . . . rr_1awx 1 . 1 . 937 . 1 1 59 ASN HA H 63.291 -1.250 4.296 . . . 1.0 . . . . . . . . . . . . A . 59 ASN HA . . . . . . . . . rr_1awx 1 . 1 . 938 . 1 1 59 ASN HB2 H 63.859 -3.257 5.511 . . . 1.0 . . . . . . . . . . . . A . 59 ASN HB2 . . . . . . . . . rr_1awx 1 . 1 . 939 . 1 1 59 ASN HB3 H 62.891 -2.261 6.584 . . . 1.0 . . . . . . . . . . . . A . 59 ASN HB3 . . . . . . . . . rr_1awx 1 . 1 . 940 . 1 1 59 ASN HD21 H 60.682 -2.958 7.067 . . . 1.0 . . . . . . . . . . . . A . 59 ASN HD21 . . . . . . . . . rr_1awx 1 . 1 . 941 . 1 1 59 ASN HD22 H 60.176 -4.544 6.739 . . . 1.0 . . . . . . . . . . . . A . 59 ASN HD22 . . . . . . . . . rr_1awx 1 . 1 . 942 . 1 1 59 ASN N N 61.286 -1.182 4.992 . . . 1.0 . . . . . . . . . . . . A . 59 ASN N . . . . . . . . . rr_1awx 1 . 1 . 943 . 1 1 59 ASN ND2 N 60.822 -3.818 6.619 . . . 1.0 . . . . . . . . . . . . A . 59 ASN ND2 . . . . . . . . . rr_1awx 1 . 1 . 944 . 1 1 59 ASN O O 62.906 -2.849 2.329 . . . 1.0 . . . . . . . . . . . . A . 59 ASN O . . . . . . . . . rr_1awx 1 . 1 . 945 . 1 1 59 ASN OD1 O 62.047 -5.063 5.310 . . . 1.0 . . . . . . . . . . . . A . 59 ASN OD1 . . . . . . . . . rr_1awx 1 . 1 . 946 . 1 1 60 TYR C C 60.350 -3.285 0.834 . . . 1.0 . . . . . . . . . . . . A . 60 TYR C . . . . . . . . . rr_1awx 1 . 1 . 947 . 1 1 60 TYR CA C 60.528 -4.151 2.088 . . . 1.0 . . . . . . . . . . . . A . 60 TYR CA . . . . . . . . . rr_1awx 1 . 1 . 948 . 1 1 60 TYR CB C 59.187 -4.763 2.503 . . . 1.0 . . . . . . . . . . . . A . 60 TYR CB . . . . . . . . . rr_1awx 1 . 1 . 949 . 1 1 60 TYR CD1 C 59.755 -6.366 4.368 . . . 1.0 . . . . . . . . . . . . A . 60 TYR CD1 . . . . . . . . . rr_1awx 1 . 1 . 950 . 1 1 60 TYR CD2 C 59.255 -7.263 2.172 . . . 1.0 . . . . . . . . . . . . A . 60 TYR CD2 . . . . . . . . . rr_1awx 1 . 1 . 951 . 1 1 60 TYR CE1 C 59.954 -7.663 4.853 . . . 1.0 . . . . . . . . . . . . A . 60 TYR CE1 . . . . . . . . . rr_1awx 1 . 1 . 952 . 1 1 60 TYR CE2 C 59.453 -8.561 2.658 . . . 1.0 . . . . . . . . . . . . A . 60 TYR CE2 . . . . . . . . . rr_1awx 1 . 1 . 953 . 1 1 60 TYR CG C 59.405 -6.165 3.027 . . . 1.0 . . . . . . . . . . . . A . 60 TYR CG . . . . . . . . . rr_1awx 1 . 1 . 954 . 1 1 60 TYR CZ C 59.803 -8.761 3.998 . . . 1.0 . . . . . . . . . . . . A . 60 TYR CZ . . . . . . . . . rr_1awx 1 . 1 . 955 . 1 1 60 TYR H H 60.379 -3.221 4.037 . . . 1.0 . . . . . . . . . . . . A . 60 TYR H . . . . . . . . . rr_1awx 1 . 1 . 956 . 1 1 60 TYR HA H 61.244 -4.934 1.899 . . . 1.0 . . . . . . . . . . . . A . 60 TYR HA . . . . . . . . . rr_1awx 1 . 1 . 957 . 1 1 60 TYR HB2 H 58.739 -4.156 3.275 . . . 1.0 . . . . . . . . . . . . A . 60 TYR HB2 . . . . . . . . . rr_1awx 1 . 1 . 958 . 1 1 60 TYR HB3 H 58.529 -4.799 1.648 . . . 1.0 . . . . . . . . . . . . A . 60 TYR HB3 . . . . . . . . . rr_1awx 1 . 1 . 959 . 1 1 60 TYR HD1 H 59.871 -5.520 5.028 . . . 1.0 . . . . . . . . . . . . A . 60 TYR HD1 . . . . . . . . . rr_1awx 1 . 1 . 960 . 1 1 60 TYR HD2 H 58.986 -7.109 1.138 . . . 1.0 . . . . . . . . . . . . A . 60 TYR HD2 . . . . . . . . . rr_1awx 1 . 1 . 961 . 1 1 60 TYR HE1 H 60.223 -7.818 5.888 . . . 1.0 . . . . . . . . . . . . A . 60 TYR HE1 . . . . . . . . . rr_1awx 1 . 1 . 962 . 1 1 60 TYR HE2 H 59.337 -9.408 1.998 . . . 1.0 . . . . . . . . . . . . A . 60 TYR HE2 . . . . . . . . . rr_1awx 1 . 1 . 963 . 1 1 60 TYR HH H 60.913 -10.116 4.758 . . . 1.0 . . . . . . . . . . . . A . 60 TYR HH . . . . . . . . . rr_1awx 1 . 1 . 964 . 1 1 60 TYR N N 60.965 -3.323 3.256 . . . 1.0 . . . . . . . . . . . . A . 60 TYR N . . . . . . . . . rr_1awx 1 . 1 . 965 . 1 1 60 TYR O O 60.693 -3.697 -0.259 . . . 1.0 . . . . . . . . . . . . A . 60 TYR O . . . . . . . . . rr_1awx 1 . 1 . 966 . 1 1 60 TYR OH O 59.998 -10.041 4.477 . . . 1.0 . . . . . . . . . . . . A . 60 TYR OH . . . . . . . . . rr_1awx 1 . 1 . 967 . 1 1 61 VAL C C 60.650 -0.105 -0.280 . . . 1.0 . . . . . . . . . . . . A . 61 VAL C . . . . . . . . . rr_1awx 1 . 1 . 968 . 1 1 61 VAL CA C 59.607 -1.224 -0.227 . . . 1.0 . . . . . . . . . . . . A . 61 VAL CA . . . . . . . . . rr_1awx 1 . 1 . 969 . 1 1 61 VAL CB C 58.202 -0.630 -0.093 . . . 1.0 . . . . . . . . . . . . A . 61 VAL CB . . . . . . . . . rr_1awx 1 . 1 . 970 . 1 1 61 VAL CG1 C 57.166 -1.754 -0.142 . . . 1.0 . . . . . . . . . . . . A . 61 VAL CG1 . . . . . . . . . rr_1awx 1 . 1 . 971 . 1 1 61 VAL CG2 C 58.074 0.123 1.233 . . . 1.0 . . . . . . . . . . . . A . 61 VAL CG2 . . . . . . . . . rr_1awx 1 . 1 . 972 . 1 1 61 VAL H H 59.534 -1.787 1.861 . . . 1.0 . . . . . . . . . . . . A . 61 VAL H . . . . . . . . . rr_1awx 1 . 1 . 973 . 1 1 61 VAL HA H 59.659 -1.819 -1.121 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HA . . . . . . . . . rr_1awx 1 . 1 . 974 . 1 1 61 VAL HB H 58.028 0.055 -0.915 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HB . . . . . . . . . rr_1awx 1 . 1 . 975 . 1 1 61 VAL HG11 H 57.398 -2.422 -0.959 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG11 . . . . . . . . . rr_1awx 1 . 1 . 976 . 1 1 61 VAL HG12 H 57.185 -2.302 0.788 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG12 . . . . . . . . . rr_1awx 1 . 1 . 977 . 1 1 61 VAL HG13 H 56.183 -1.332 -0.291 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG13 . . . . . . . . . rr_1awx 1 . 1 . 978 . 1 1 61 VAL HG21 H 59.045 0.484 1.539 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG21 . . . . . . . . . rr_1awx 1 . 1 . 979 . 1 1 61 VAL HG22 H 57.402 0.958 1.107 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG22 . . . . . . . . . rr_1awx 1 . 1 . 980 . 1 1 61 VAL HG23 H 57.683 -0.542 1.988 . . . 1.0 . . . . . . . . . . . . A . 61 VAL HG23 . . . . . . . . . rr_1awx 1 . 1 . 981 . 1 1 61 VAL N N 59.810 -2.098 0.974 . . . 1.0 . . . . . . . . . . . . A . 61 VAL N . . . . . . . . . rr_1awx 1 . 1 . 982 . 1 1 61 VAL O O 61.395 0.115 0.655 . . . 1.0 . . . . . . . . . . . . A . 61 VAL O . . . . . . . . . rr_1awx 1 . 1 . 983 . 1 1 62 THR C C 61.016 2.848 -2.358 . . . 1.0 . . . . . . . . . . . . A . 62 THR C . . . . . . . . . rr_1awx 1 . 1 . 984 . 1 1 62 THR CA C 61.669 1.721 -1.530 . . . 1.0 . . . . . . . . . . . . A . 62 THR CA . . . . . . . . . rr_1awx 1 . 1 . 985 . 1 1 62 THR CB C 62.878 1.092 -2.239 . . . 1.0 . . . . . . . . . . . . A . 62 THR CB . . . . . . . . . rr_1awx 1 . 1 . 986 . 1 1 62 THR CG2 C 62.458 0.534 -3.601 . . . 1.0 . . . . . . . . . . . . A . 62 THR CG2 . . . . . . . . . rr_1awx 1 . 1 . 987 . 1 1 62 THR H H 60.074 0.398 -2.111 . . . 1.0 . . . . . . . . . . . . A . 62 THR H . . . . . . . . . rr_1awx 1 . 1 . 988 . 1 1 62 THR HA H 61.961 2.094 -0.560 . . . 1.0 . . . . . . . . . . . . A . 62 THR HA . . . . . . . . . rr_1awx 1 . 1 . 989 . 1 1 62 THR HB H 63.272 0.290 -1.633 . . . 1.0 . . . . . . . . . . . . A . 62 THR HB . . . . . . . . . rr_1awx 1 . 1 . 990 . 1 1 62 THR HG1 H 64.625 1.857 -1.858 . . . 1.0 . . . . . . . . . . . . A . 62 THR HG1 . . . . . . . . . rr_1awx 1 . 1 . 991 . 1 1 62 THR HG21 H 61.418 0.247 -3.569 . . . 1.0 . . . . . . . . . . . . A . 62 THR HG21 . . . . . . . . . rr_1awx 1 . 1 . 992 . 1 1 62 THR HG22 H 62.599 1.288 -4.360 . . . 1.0 . . . . . . . . . . . . A . 62 THR HG22 . . . . . . . . . rr_1awx 1 . 1 . 993 . 1 1 62 THR HG23 H 63.062 -0.330 -3.837 . . . 1.0 . . . . . . . . . . . . A . 62 THR HG23 . . . . . . . . . rr_1awx 1 . 1 . 994 . 1 1 62 THR N N 60.693 0.603 -1.378 . . . 1.0 . . . . . . . . . . . . A . 62 THR N . . . . . . . . . rr_1awx 1 . 1 . 995 . 1 1 62 THR O O 59.890 3.217 -2.098 . . . 1.0 . . . . . . . . . . . . A . 62 THR O . . . . . . . . . rr_1awx 1 . 1 . 996 . 1 1 62 THR OG1 O 63.882 2.081 -2.423 . . . 1.0 . . . . . . . . . . . . A . 62 THR OG1 . . . . . . . . . rr_1awx 1 . 1 . 997 . 1 1 63 GLU C C 60.338 3.894 -5.362 . . . 1.0 . . . . . . . . . . . . A . 63 GLU C . . . . . . . . . rr_1awx 1 . 1 . 998 . 1 1 63 GLU CA C 61.073 4.488 -4.158 . . . 1.0 . . . . . . . . . . . . A . 63 GLU CA . . . . . . . . . rr_1awx 1 . 1 . 999 . 1 1 63 GLU CB C 62.243 5.360 -4.615 . . . 1.0 . . . . . . . . . . . . A . 63 GLU CB . . . . . . . . . rr_1awx 1 . 1 . 1000 . 1 1 63 GLU CD C 63.612 7.382 -4.082 . . . 1.0 . . . . . . . . . . . . A . 63 GLU CD . . . . . . . . . rr_1awx 1 . 1 . 1001 . 1 1 63 GLU CG C 62.445 6.506 -3.622 . . . 1.0 . . . . . . . . . . . . A . 63 GLU CG . . . . . . . . . rr_1awx 1 . 1 . 1002 . 1 1 63 GLU H H 62.595 3.100 -3.546 . . . 1.0 . . . . . . . . . . . . A . 63 GLU H . . . . . . . . . rr_1awx 1 . 1 . 1003 . 1 1 63 GLU HA H 60.393 5.065 -3.553 . . . 1.0 . . . . . . . . . . . . A . 63 GLU HA . . . . . . . . . rr_1awx 1 . 1 . 1004 . 1 1 63 GLU HB2 H 63.141 4.762 -4.664 . . . 1.0 . . . . . . . . . . . . A . 63 GLU HB2 . . . . . . . . . rr_1awx 1 . 1 . 1005 . 1 1 63 GLU HB3 H 62.028 5.767 -5.592 . . . 1.0 . . . . . . . . . . . . A . 63 GLU HB3 . . . . . . . . . rr_1awx 1 . 1 . 1006 . 1 1 63 GLU HG2 H 61.545 7.102 -3.571 . . . 1.0 . . . . . . . . . . . . A . 63 GLU HG2 . . . . . . . . . rr_1awx 1 . 1 . 1007 . 1 1 63 GLU HG3 H 62.665 6.102 -2.645 . . . 1.0 . . . . . . . . . . . . A . 63 GLU HG3 . . . . . . . . . rr_1awx 1 . 1 . 1008 . 1 1 63 GLU N N 61.692 3.398 -3.343 . . . 1.0 . . . . . . . . . . . . A . 63 GLU N . . . . . . . . . rr_1awx 1 . 1 . 1009 . 1 1 63 GLU O O 60.833 3.005 -6.025 . . . 1.0 . . . . . . . . . . . . A . 63 GLU O . . . . . . . . . rr_1awx 1 . 1 . 1010 . 1 1 63 GLU OE1 O 64.683 6.840 -4.301 . . . 1.0 . . . . . . . . . . . . A . 63 GLU OE1 . . . . . . . . . rr_1awx 1 . 1 . 1011 . 1 1 63 GLU OE2 O 63.414 8.579 -4.208 . . . 1.0 . . . . . . . . . . . . A . 63 GLU OE2 . . . . . . . . . rr_1awx 1 . 1 . 1012 . 1 1 64 ALA C C 59.201 3.793 -8.081 . . . 1.0 . . . . . . . . . . . . A . 64 ALA C . . . . . . . . . rr_1awx 1 . 1 . 1013 . 1 1 64 ALA CA C 58.356 3.848 -6.800 . . . 1.0 . . . . . . . . . . . . A . 64 ALA CA . . . . . . . . . rr_1awx 1 . 1 . 1014 . 1 1 64 ALA CB C 57.198 4.832 -6.972 . . . 1.0 . . . . . . . . . . . . A . 64 ALA CB . . . . . . . . . rr_1awx 1 . 1 . 1015 . 1 1 64 ALA H H 58.781 5.095 -5.084 . . . 1.0 . . . . . . . . . . . . A . 64 ALA H . . . . . . . . . rr_1awx 1 . 1 . 1016 . 1 1 64 ALA HA H 57.966 2.870 -6.564 . . . 1.0 . . . . . . . . . . . . A . 64 ALA HA . . . . . . . . . rr_1awx 1 . 1 . 1017 . 1 1 64 ALA HB1 H 57.076 5.406 -6.066 . . . 1.0 . . . . . . . . . . . . A . 64 ALA HB1 . . . . . . . . . rr_1awx 1 . 1 . 1018 . 1 1 64 ALA HB2 H 57.411 5.500 -7.794 . . . 1.0 . . . . . . . . . . . . A . 64 ALA HB2 . . . . . . . . . rr_1awx 1 . 1 . 1019 . 1 1 64 ALA HB3 H 56.289 4.286 -7.177 . . . 1.0 . . . . . . . . . . . . A . 64 ALA HB3 . . . . . . . . . rr_1awx 1 . 1 . 1020 . 1 1 64 ALA N N 59.153 4.380 -5.643 . . . 1.0 . . . . . . . . . . . . A . 64 ALA N . . . . . . . . . rr_1awx 1 . 1 . 1021 . 1 1 64 ALA O O 59.074 2.880 -8.877 . . . 1.0 . . . . . . . . . . . . A . 64 ALA O . . . . . . . . . rr_1awx 1 . 1 . 1022 . 1 1 65 GLU C C 62.325 5.247 -9.172 . . . 1.0 . . . . . . . . . . . . A . 65 GLU C . . . . . . . . . rr_1awx 1 . 1 . 1023 . 1 1 65 GLU CA C 60.909 4.772 -9.510 . . . 1.0 . . . . . . . . . . . . A . 65 GLU CA . . . . . . . . . rr_1awx 1 . 1 . 1024 . 1 1 65 GLU CB C 60.226 5.757 -10.459 . . . 1.0 . . . . . . . . . . . . A . 65 GLU CB . . . . . . . . . rr_1awx 1 . 1 . 1025 . 1 1 65 GLU CD C 58.700 5.726 -12.438 . . . 1.0 . . . . . . . . . . . . A . 65 GLU CD . . . . . . . . . rr_1awx 1 . 1 . 1026 . 1 1 65 GLU CG C 58.986 5.101 -11.071 . . . 1.0 . . . . . . . . . . . . A . 65 GLU CG . . . . . . . . . rr_1awx 1 . 1 . 1027 . 1 1 65 GLU H H 60.138 5.486 -7.627 . . . 1.0 . . . . . . . . . . . . A . 65 GLU H . . . . . . . . . rr_1awx 1 . 1 . 1028 . 1 1 65 GLU HA H 60.937 3.791 -9.956 . . . 1.0 . . . . . . . . . . . . A . 65 GLU HA . . . . . . . . . rr_1awx 1 . 1 . 1029 . 1 1 65 GLU HB2 H 59.933 6.641 -9.910 . . . 1.0 . . . . . . . . . . . . A . 65 GLU HB2 . . . . . . . . . rr_1awx 1 . 1 . 1030 . 1 1 65 GLU HB3 H 60.910 6.033 -11.246 . . . 1.0 . . . . . . . . . . . . A . 65 GLU HB3 . . . . . . . . . rr_1awx 1 . 1 . 1031 . 1 1 65 GLU HG2 H 59.161 4.041 -11.187 . . . 1.0 . . . . . . . . . . . . A . 65 GLU HG2 . . . . . . . . . rr_1awx 1 . 1 . 1032 . 1 1 65 GLU HG3 H 58.138 5.258 -10.421 . . . 1.0 . . . . . . . . . . . . A . 65 GLU HG3 . . . . . . . . . rr_1awx 1 . 1 . 1033 . 1 1 65 GLU N N 60.057 4.763 -8.283 . . . 1.0 . . . . . . . . . . . . A . 65 GLU N . . . . . . . . . rr_1awx 1 . 1 . 1034 . 1 1 65 GLU O O 62.528 6.015 -8.250 . . . 1.0 . . . . . . . . . . . . A . 65 GLU O . . . . . . . . . rr_1awx 1 . 1 . 1035 . 1 1 65 GLU OE1 O 58.559 6.936 -12.496 . . . 1.0 . . . . . . . . . . . . A . 65 GLU OE1 . . . . . . . . . rr_1awx 1 . 1 . 1036 . 1 1 65 GLU OE2 O 58.626 4.983 -13.402 . . . 1.0 . . . . . . . . . . . . A . 65 GLU OE2 . . . . . . . . . rr_1awx 1 . 1 . 1037 . 1 1 66 ASP C C 65.420 5.546 -10.962 . . . 1.0 . . . . . . . . . . . . A . 66 ASP C . . . . . . . . . rr_1awx 1 . 1 . 1038 . 1 1 66 ASP CA C 64.711 5.210 -9.647 . . . 1.0 . . . . . . . . . . . . A . 66 ASP CA . . . . . . . . . rr_1awx 1 . 1 . 1039 . 1 1 66 ASP CB C 65.365 3.999 -8.981 . . . 1.0 . . . . . . . . . . . . A . 66 ASP CB . . . . . . . . . rr_1awx 1 . 1 . 1040 . 1 1 66 ASP CG C 65.116 4.049 -7.473 . . . 1.0 . . . . . . . . . . . . A . 66 ASP CG . . . . . . . . . rr_1awx 1 . 1 . 1041 . 1 1 66 ASP H H 63.109 4.175 -10.650 . . . 1.0 . . . . . . . . . . . . A . 66 ASP H . . . . . . . . . rr_1awx 1 . 1 . 1042 . 1 1 66 ASP HA H 64.734 6.056 -8.979 . . . 1.0 . . . . . . . . . . . . A . 66 ASP HA . . . . . . . . . rr_1awx 1 . 1 . 1043 . 1 1 66 ASP HB2 H 64.940 3.092 -9.388 . . . 1.0 . . . . . . . . . . . . A . 66 ASP HB2 . . . . . . . . . rr_1awx 1 . 1 . 1044 . 1 1 66 ASP HB3 H 66.428 4.015 -9.169 . . . 1.0 . . . . . . . . . . . . A . 66 ASP HB3 . . . . . . . . . rr_1awx 1 . 1 . 1045 . 1 1 66 ASP N N 63.303 4.792 -9.914 . . . 1.0 . . . . . . . . . . . . A . 66 ASP N . . . . . . . . . rr_1awx 1 . 1 . 1046 . 1 1 66 ASP O O 65.659 4.683 -11.786 . . . 1.0 . . . . . . . . . . . . A . 66 ASP O . . . . . . . . . rr_1awx 1 . 1 . 1047 . 1 1 66 ASP OD1 O 63.988 4.309 -7.087 . . . 1.0 . . . . . . . . . . . . A . 66 ASP OD1 . . . . . . . . . rr_1awx 1 . 1 . 1048 . 1 1 66 ASP OD2 O 66.057 3.827 -6.729 . . . 1.0 . . . . . . . . . . . . A . 66 ASP OD2 . . . . . . . . . rr_1awx 1 . 1 . 1049 . 1 1 67 SER C C 67.964 7.024 -12.270 . . . 1.0 . . . . . . . . . . . . A . 67 SER C . . . . . . . . . rr_1awx 1 . 1 . 1050 . 1 1 67 SER CA C 66.450 7.198 -12.422 . . . 1.0 . . . . . . . . . . . . A . 67 SER CA . . . . . . . . . rr_1awx 1 . 1 . 1051 . 1 1 67 SER CB C 66.096 8.671 -12.615 . . . 1.0 . . . . . . . . . . . . A . 67 SER CB . . . . . . . . . rr_1awx 1 . 1 . 1052 . 1 1 67 SER H H 65.551 7.470 -10.481 . . . 1.0 . . . . . . . . . . . . A . 67 SER H . . . . . . . . . rr_1awx 1 . 1 . 1053 . 1 1 67 SER HA H 66.085 6.618 -13.255 . . . 1.0 . . . . . . . . . . . . A . 67 SER HA . . . . . . . . . rr_1awx 1 . 1 . 1054 . 1 1 67 SER HB2 H 65.187 8.898 -12.083 . . . 1.0 . . . . . . . . . . . . A . 67 SER HB2 . . . . . . . . . rr_1awx 1 . 1 . 1055 . 1 1 67 SER HB3 H 66.899 9.287 -12.231 . . . 1.0 . . . . . . . . . . . . A . 67 SER HB3 . . . . . . . . . rr_1awx 1 . 1 . 1056 . 1 1 67 SER HG H 65.168 9.540 -14.088 . . . 1.0 . . . . . . . . . . . . A . 67 SER HG . . . . . . . . . rr_1awx 1 . 1 . 1057 . 1 1 67 SER N N 65.756 6.795 -11.162 . . . 1.0 . . . . . . . . . . . . A . 67 SER N . . . . . . . . . rr_1awx 1 . 1 . 1058 . 1 1 67 SER O O 68.566 6.445 -13.160 . . . 1.0 . . . . . . . . . . . . A . 67 SER O . . . . . . . . . rr_1awx 1 . 1 . 1059 . 1 1 67 SER OXT O 68.494 7.472 -11.267 . . . 1.0 . . . . . . . . . . . . A . 67 SER OXT . . . . . . . . . rr_1awx 1 . 1 . 1060 . 1 1 67 SER OG O 65.904 8.930 -14.000 . . . 1.0 . . . . . . . . . . . . A . 67 SER OG . . . . . . . . . rr_1awx 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_1awx _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 1awx.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1awx 1 1 1awx.mr . . XPLOR/CNS 2 distance NOE simple 355 rr_1awx 1 1 1awx.mr . . XPLOR/CNS 3 distance NOE simple 299 rr_1awx 1 1 1awx.mr . . XPLOR/CNS 4 distance NOE simple 105 rr_1awx 1 1 1awx.mr . . n/a 5 comment 'Not applicable' 'Not applicable' 0 rr_1awx 1 1 1awx.mr . . XPLOR/CNS 6 'dihedral angle' 'Not applicable' 'Not applicable' 52 rr_1awx 1 1 1awx.mr . . XPLOR/CNS 7 distance 'hydrogen bond' simple 22 rr_1awx 1 1 1awx.mr . . 'MR format' 8 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1awx 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_1awx _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_1awx 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 5 5 THR H H . . . 1 1 5 5 THR MG H . . . . . 5.0 0.0 5.4 . . . . . A . 5 THR H . . A . 5 THR MG . . . 5 . HN . . . . . 5 . HG2# . . rr_1awx 1 2 1 . . 1 1 5 5 THR HA H . . . 1 1 6 6 SER H H . . . . . 5.0 0.0 5.0 . . . . . A . 5 THR HA . . A . 6 SER H . . . 5 . HA . . . . . 6 . HN . . rr_1awx 1 3 1 OR . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 6 SER H . . A . 6 SER HB2 . . . 6 . HN . . . . . 6 . HB# . . rr_1awx 1 3 2 OR . 1 1 6 6 SER H H . . . 1 1 6 6 SER HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 6 SER H . . A . 6 SER HB3 . . . 6 . HN . . . . . 6 . HB# . . rr_1awx 1 4 1 . . 1 1 6 6 SER HA H . . . 1 1 7 7 GLU H H . . . . . 3.5 0.0 3.5 . . . . . A . 6 SER HA . . A . 7 GLU H . . . 6 . HA . . . . . 7 . HN . . rr_1awx 1 5 1 OR . 1 1 7 7 GLU H H . . . 1 1 6 6 SER HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 7 GLU H . . A . 6 SER HB2 . . . 7 . HN . . . . . 6 . HB# . . rr_1awx 1 5 2 OR . 1 1 6 6 SER HB3 H . . . 1 1 7 7 GLU H H . . . . . 5.0 0.0 5.7 . . . . . A . 6 SER HB3 . . A . 7 GLU H . . . 6 . HB# . . . . . 7 . HN . . rr_1awx 1 6 1 . . 1 1 7 7 GLU H H . . . 1 1 7 7 GLU HA H . . . . . 5.0 0.0 5.0 . . . . . A . 7 GLU H . . A . 7 GLU HA . . . 7 . HN . . . . . 7 . HA . . rr_1awx 1 7 1 OR . 1 1 7 7 GLU H H . . . 1 1 7 7 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 7 GLU H . . A . 7 GLU HG2 . . . 7 . HN . . . . . 7 . HG# . . rr_1awx 1 7 2 OR . 1 1 7 7 GLU H H . . . 1 1 7 7 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 7 GLU H . . A . 7 GLU HG3 . . . 7 . HN . . . . . 7 . HG# . . rr_1awx 1 8 1 OR . 1 1 7 7 GLU H H . . . 1 1 7 7 GLU HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 7 GLU H . . A . 7 GLU HB3 . . . 7 . HN . . . . . 7 . HB# . . rr_1awx 1 8 2 OR . 1 1 7 7 GLU H H . . . 1 1 7 7 GLU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 7 GLU H . . A . 7 GLU HB2 . . . 7 . HN . . . . . 7 . HB# . . rr_1awx 1 9 1 . . 1 1 7 7 GLU H H . . . 1 1 8 8 LEU H H . . . . . 5.0 0.0 5.0 . . . . . A . 7 GLU H . . A . 8 LEU H . . . 7 . HN . . . . . 8 . HN . . rr_1awx 1 10 1 . . 1 1 7 7 GLU HA H . . . 1 1 8 8 LEU H H . . . . . 2.8 0.0 2.8 . . . . . A . 7 GLU HA . . A . 8 LEU H . . . 7 . HA . . . . . 8 . HN . . rr_1awx 1 11 1 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 GLU HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 8 LEU H . . A . 7 GLU HB3 . . . 8 . HN . . . . . 7 . HB# . . rr_1awx 1 11 2 OR . 1 1 7 7 GLU HB2 H . . . 1 1 8 8 LEU H H . . . . . 5.0 0.0 5.7 . . . . . A . 7 GLU HB2 . . A . 8 LEU H . . . 7 . HB# . . . . . 8 . HN . . rr_1awx 1 12 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 8 LEU H . . A . 8 LEU HA . . . 8 . HN . . . . . 8 . HA . . rr_1awx 1 13 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 8 LEU H . . A . 8 LEU HB2 . . . 8 . HN . . . . . 8 . HB# . . rr_1awx 1 13 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . . . 8 . HN . . . . . 8 . HB# . . rr_1awx 1 14 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 8 LEU H . . A . 8 LEU MD1 . . . 8 . HN . . . . . 8 . HD# . . rr_1awx 1 14 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 8 LEU H . . A . 8 LEU MD2 . . . 8 . HN . . . . . 8 . HD# . . rr_1awx 1 15 1 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 LEU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 9 LYS H . . A . 8 LEU HB2 . . . 9 . HN . . . . . 8 . HB# . . rr_1awx 1 15 2 OR . 1 1 8 8 LEU HB3 H . . . 1 1 9 9 LYS H H . . . . . 5.0 0.0 5.7 . . . . . A . 8 LEU HB3 . . A . 9 LYS H . . . 8 . HB# . . . . . 9 . HN . . rr_1awx 1 16 1 OR . 1 1 9 9 LYS H H . . . 1 1 8 8 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 9 LYS H . . A . 8 LEU MD1 . . . 9 . HN . . . . . 8 . HD# . . rr_1awx 1 16 2 OR . 1 1 8 8 LEU MD2 H . . . 1 1 9 9 LYS H H . . . . . 5.0 0.0 6.5 . . . . . A . 8 LEU MD2 . . A . 9 LYS H . . . 8 . HD# . . . . . 9 . HN . . rr_1awx 1 17 1 . . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HA H . . . . . 3.5 0.0 6.3 . . . . . A . 9 LYS H . . A . 9 LYS HA . . . 9 . HN . . . . . 9 . HA . . rr_1awx 1 18 1 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 9 LYS H . . A . 9 LYS HB2 . . . 9 . HN . . . . . 9 . HB# . . rr_1awx 1 18 2 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 9 LYS H . . A . 9 LYS HB3 . . . 9 . HN . . . . . 9 . HB# . . rr_1awx 1 19 1 . . 1 1 9 9 LYS HA H . . . 1 1 10 10 LYS H H . . . . . 2.8 0.0 2.8 . . . . . A . 9 LYS HA . . A . 10 LYS H . . . 9 . HA . . . . . 10 . HN . . rr_1awx 1 20 1 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 LYS HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 10 LYS H . . A . 9 LYS HG2 . . . 10 . HN . . . . . 9 . HG# . . rr_1awx 1 20 2 OR . 1 1 10 10 LYS H H . . . 1 1 9 9 LYS HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 10 LYS H . . A . 9 LYS HG3 . . . 10 . HN . . . . . 9 . HG# . . rr_1awx 1 21 1 . . 1 1 9 9 LYS H H . . . 1 1 35 35 ILE H H . . . . . 5.0 0.0 5.0 . . . . . A . 9 LYS H . . A . 35 ILE H . . . 9 . HN . . . . . 35 . HN . . rr_1awx 1 22 1 . . 1 1 9 9 LYS H H . . . 1 1 35 35 ILE HB H . . . . . 3.5 0.0 3.5 . . . . . A . 9 LYS H . . A . 35 ILE HB . . . 9 . HN . . . . . 35 . HB . . rr_1awx 1 23 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HA H . . . . . 3.5 0.0 3.5 . . . . . A . 10 LYS H . . A . 10 LYS HA . . . 10 . HN . . . . . 10 . HA . . rr_1awx 1 24 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 10 LYS H . . A . 10 LYS HG2 . . . 10 . HN . . . . . 10 . HG# . . rr_1awx 1 24 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 10 LYS H . . A . 10 LYS HG3 . . . 10 . HN . . . . . 10 . HG# . . rr_1awx 1 25 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . . . 10 . HN . . . . . 10 . HB# . . rr_1awx 1 25 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . . . 10 . HN . . . . . 10 . HB# . . rr_1awx 1 26 1 . . 1 1 10 10 LYS HA H . . . 1 1 11 11 VAL H H . . . . . 2.8 0.0 2.8 . . . . . A . 10 LYS HA . . A . 11 VAL H . . . 10 . HA . . . . . 11 . HN . . rr_1awx 1 27 1 OR . 1 1 11 11 VAL H H . . . 1 1 10 10 LYS HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 11 VAL H . . A . 10 LYS HB3 . . . 11 . HN . . . . . 10 . HB# . . rr_1awx 1 27 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 11 11 VAL H H . . . . . 5.0 0.0 5.7 . . . . . A . 10 LYS HB2 . . A . 11 VAL H . . . 10 . HB# . . . . . 11 . HN . . rr_1awx 1 28 1 OR . 1 1 11 11 VAL H H . . . 1 1 10 10 LYS HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 11 VAL H . . A . 10 LYS HG2 . . . 11 . HN . . . . . 10 . HG# . . rr_1awx 1 28 2 OR . 1 1 10 10 LYS HG3 H . . . 1 1 11 11 VAL H H . . . . . 3.5 0.0 4.2 . . . . . A . 10 LYS HG3 . . A . 11 VAL H . . . 10 . HG# . . . . . 11 . HN . . rr_1awx 1 29 1 OR . 1 1 33 33 TYR H H . . . 1 1 10 10 LYS HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 33 TYR H . . A . 10 LYS HG2 . . . 33 . HN . . . . . 10 . HG# . . rr_1awx 1 29 2 OR . 1 1 10 10 LYS HG3 H . . . 1 1 33 33 TYR H H . . . . . 5.0 0.0 5.7 . . . . . A . 10 LYS HG3 . . A . 33 TYR H . . . 10 . HG# . . . . . 33 . HN . . rr_1awx 1 30 1 . . 1 1 11 11 VAL H H . . . 1 1 11 11 VAL HA H . . . . . 3.5 0.0 3.5 . . . . . A . 11 VAL H . . A . 11 VAL HA . . . 11 . HN . . . . . 11 . HA . . rr_1awx 1 31 1 . . 1 1 11 11 VAL H H . . . 1 1 11 11 VAL HB H . . . . . 5.0 0.0 5.0 . . . . . A . 11 VAL H . . A . 11 VAL HB . . . 11 . HN . . . . . 11 . HB . . rr_1awx 1 32 1 . . 1 1 11 11 VAL HA H . . . 1 1 12 12 VAL H H . . . . . 2.8 0.0 2.8 . . . . . A . 11 VAL HA . . A . 12 VAL H . . . 11 . HA . . . . . 12 . HN . . rr_1awx 1 33 1 . . 1 1 11 11 VAL HB H . . . 1 1 12 12 VAL H H . . . . . 2.8 0.0 2.8 . . . . . A . 11 VAL HB . . A . 12 VAL H . . . 11 . HB . . . . . 12 . HN . . rr_1awx 1 34 1 OR . 1 1 12 12 VAL H H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 12 VAL H . . A . 11 VAL MG1 . . . 12 . HN . . . . . 11 . HG# . . rr_1awx 1 34 2 OR . 1 1 12 12 VAL H H . . . 1 1 11 11 VAL MG2 H . . . . . 5.0 0.0 6.5 . . . . . A . 12 VAL H . . A . 11 VAL MG2 . . . 12 . HN . . . . . 11 . HG# . . rr_1awx 1 35 1 . . 1 1 11 11 VAL H H . . . 1 1 33 33 TYR H H . . . . . 5.0 0.0 5.0 . . . . . A . 11 VAL H . . A . 33 TYR H . . . 11 . HN . . . . . 33 . HN . . rr_1awx 1 36 1 OR . 1 1 33 33 TYR H H . . . 1 1 11 11 VAL MG1 H . . . . . 3.5 0.0 5.0 . . . . . A . 33 TYR H . . A . 11 VAL MG1 . . . 33 . HN . . . . . 11 . HG# . . rr_1awx 1 36 2 OR . 1 1 33 33 TYR H H . . . 1 1 11 11 VAL MG2 H . . . . . 3.5 0.0 5.0 . . . . . A . 33 TYR H . . A . 11 VAL MG2 . . . 33 . HN . . . . . 11 . HG# . . rr_1awx 1 37 1 . . 1 1 11 11 VAL H H . . . 1 1 34 34 PHE HA H . . . . . 5.0 0.0 5.0 . . . . . A . 11 VAL H . . A . 34 PHE HA . . . 11 . HN . . . . . 34 . HA . . rr_1awx 1 38 1 . . 1 1 11 11 VAL HB H . . . 1 1 62 62 THR H H . . . . . 3.5 0.0 3.5 . . . . . A . 11 VAL HB . . A . 62 THR H . . . 11 . HB . . . . . 62 . HN . . rr_1awx 1 39 1 OR . 1 1 64 64 ALA H H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 64 ALA H . . A . 11 VAL MG1 . . . 64 . HN . . . . . 11 . HG# . . rr_1awx 1 39 2 OR . 1 1 11 11 VAL MG2 H . . . 1 1 64 64 ALA H H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL MG2 . . A . 64 ALA H . . . 11 . HG# . . . . . 64 . HN . . rr_1awx 1 40 1 . . 1 1 12 12 VAL H H . . . 1 1 12 12 VAL HA H . . . . . 3.5 0.0 3.5 . . . . . A . 12 VAL H . . A . 12 VAL HA . . . 12 . HN . . . . . 12 . HA . . rr_1awx 1 41 1 . . 1 1 12 12 VAL H H . . . 1 1 12 12 VAL HB H . . . . . 3.5 0.0 3.5 . . . . . A . 12 VAL H . . A . 12 VAL HB . . . 12 . HN . . . . . 12 . HB . . rr_1awx 1 42 1 . . 1 1 12 12 VAL HA H . . . 1 1 13 13 ALA H H . . . . . 3.5 0.0 3.5 . . . . . A . 12 VAL HA . . A . 13 ALA H . . . 12 . HA . . . . . 13 . HN . . rr_1awx 1 43 1 . . 1 1 12 12 VAL HB H . . . 1 1 13 13 ALA H H . . . . . 5.0 0.0 5.0 . . . . . A . 12 VAL HB . . A . 13 ALA H . . . 12 . HB . . . . . 13 . HN . . rr_1awx 1 44 1 . . 1 1 12 12 VAL MG1 H . . . 1 1 30 30 GLY H H . . . . . 5.0 0.0 5.4 . . . . . A . 12 VAL MG1 . . A . 30 GLY H . . . 12 . HG1# . . . . . 30 . HN . . rr_1awx 1 45 1 . . 1 1 62 62 THR H H . . . 1 1 12 12 VAL MG1 H . . . . . 5.0 0.0 5.4 . . . . . A . 62 THR H . . A . 12 VAL MG1 . . . 62 . HN . . . . . 12 . HG1# . . rr_1awx 1 46 1 . . 1 1 62 62 THR H H . . . 1 1 12 12 VAL MG2 H . . . . . 5.0 0.0 5.4 . . . . . A . 62 THR H . . A . 12 VAL MG2 . . . 62 . HN . . . . . 12 . HG2# . . rr_1awx 1 47 1 . . 1 1 12 12 VAL H H . . . 1 1 64 64 ALA H H . . . . . 5.0 0.0 5.0 . . . . . A . 12 VAL H . . A . 64 ALA H . . . 12 . HN . . . . . 64 . HN . . rr_1awx 1 48 1 . . 1 1 13 13 ALA H H . . . 1 1 13 13 ALA HA H . . . . . 3.5 0.0 3.5 . . . . . A . 13 ALA H . . A . 13 ALA HA . . . 13 . HN . . . . . 13 . HA . . rr_1awx 1 49 1 . . 1 1 13 13 ALA H H . . . 1 1 13 13 ALA MB H . . . . . 3.5 0.0 3.9 . . . . . A . 13 ALA H . . A . 13 ALA MB . . . 13 . HN . . . . . 13 . HB# . . rr_1awx 1 50 1 . . 1 1 13 13 ALA HA H . . . 1 1 14 14 LEU H H . . . . . 2.8 0.0 2.8 . . . . . A . 13 ALA HA . . A . 14 LEU H . . . 13 . HA . . . . . 14 . HN . . rr_1awx 1 51 1 . . 1 1 13 13 ALA MB H . . . 1 1 14 14 LEU H H . . . . . 5.0 0.0 5.4 . . . . . A . 13 ALA MB . . A . 14 LEU H . . . 13 . HB# . . . . . 14 . HN . . rr_1awx 1 52 1 . . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 14 LEU H . . A . 14 LEU HA . . . 14 . HN . . . . . 14 . HA . . rr_1awx 1 53 1 . . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 14 LEU H . . A . 14 LEU HB2 . . . 14 . HN . . . . . 14 . HB2 . . rr_1awx 1 54 1 . . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU HG H . . . . . 3.5 0.0 3.5 . . . . . A . 14 LEU H . . A . 14 LEU HG . . . 14 . HN . . . . . 14 . HG . . rr_1awx 1 55 1 OR . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 14 LEU H . . A . 14 LEU MD1 . . . 14 . HN . . . . . 14 . HD# . . rr_1awx 1 55 2 OR . 1 1 14 14 LEU H H . . . 1 1 14 14 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 14 LEU H . . A . 14 LEU MD2 . . . 14 . HN . . . . . 14 . HD# . . rr_1awx 1 56 1 . . 1 1 14 14 LEU HB2 H . . . 1 1 15 15 TYR H H . . . . . 3.5 0.0 3.5 . . . . . A . 14 LEU HB2 . . A . 15 TYR H . . . 14 . HB2 . . . . . 15 . HN . . rr_1awx 1 57 1 . . 1 1 14 14 LEU HG H . . . 1 1 15 15 TYR H H . . . . . 5.0 0.0 5.0 . . . . . A . 14 LEU HG . . A . 15 TYR H . . . 14 . HG . . . . . 15 . HN . . rr_1awx 1 58 1 OR . 1 1 15 15 TYR H H . . . 1 1 14 14 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 15 TYR H . . A . 14 LEU MD1 . . . 15 . HN . . . . . 14 . HD# . . rr_1awx 1 58 2 OR . 1 1 14 14 LEU MD2 H . . . 1 1 15 15 TYR H H . . . . . 5.0 0.0 6.5 . . . . . A . 14 LEU MD2 . . A . 15 TYR H . . . 14 . HD# . . . . . 15 . HN . . rr_1awx 1 59 1 . . 1 1 14 14 LEU H H . . . 1 1 61 61 VAL HA H . . . . . 3.5 0.0 3.5 . . . . . A . 14 LEU H . . A . 61 VAL HA . . . 14 . HN . . . . . 61 . HA . . rr_1awx 1 60 1 . . 1 1 14 14 LEU HG H . . . 1 1 61 61 VAL H H . . . . . 5.0 0.0 5.0 . . . . . A . 14 LEU HG . . A . 61 VAL H . . . 14 . HG . . . . . 61 . HN . . rr_1awx 1 61 1 . . 1 1 14 14 LEU H H . . . 1 1 15 15 TYR H H . . . . . 2.8 0.0 2.8 . . . . . A . 14 LEU H . . A . 15 TYR H . . . 14 . HN . . . . . 15 . HN . . rr_1awx 1 62 1 . . 1 1 15 15 TYR H H . . . 1 1 15 15 TYR HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 15 TYR H . . A . 15 TYR HB2 . . . 15 . HN . . . . . 15 . HB2 . . rr_1awx 1 63 1 . . 1 1 15 15 TYR H H . . . 1 1 16 16 ASP H H . . . . . 5.0 0.0 5.0 . . . . . A . 15 TYR H . . A . 16 ASP H . . . 15 . HN . . . . . 16 . HN . . rr_1awx 1 64 1 . . 1 1 15 15 TYR HB2 H . . . 1 1 16 16 ASP H H . . . . . 3.5 0.0 3.5 . . . . . A . 15 TYR HB2 . . A . 16 ASP H . . . 15 . HB2 . . . . . 16 . HN . . rr_1awx 1 65 1 . . 1 1 15 15 TYR H H . . . 1 1 29 29 LYS HA H . . . . . 5.0 0.0 5.0 . . . . . A . 15 TYR H . . A . 29 LYS HA . . . 15 . HN . . . . . 29 . HA . . rr_1awx 1 66 1 . . 1 1 16 16 ASP H H . . . 1 1 16 16 ASP HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 16 ASP H . . A . 16 ASP HB3 . . . 16 . HN . . . . . 16 . HB1 . . rr_1awx 1 67 1 . . 1 1 16 16 ASP H H . . . 1 1 16 16 ASP HB2 H . . . . . 2.8 0.0 2.8 . . . . . A . 16 ASP H . . A . 16 ASP HB2 . . . 16 . HN . . . . . 16 . HB2 . . rr_1awx 1 68 1 . . 1 1 16 16 ASP HB3 H . . . 1 1 17 17 TYR H H . . . . . 3.5 0.0 3.5 . . . . . A . 16 ASP HB3 . . A . 17 TYR H . . . 16 . HB1 . . . . . 17 . HN . . rr_1awx 1 69 1 OR . 1 1 16 16 ASP H H . . . 1 1 29 29 LYS HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 16 ASP H . . A . 29 LYS HB2 . . . 16 . HN . . . . . 29 . HB# . . rr_1awx 1 69 2 OR . 1 1 16 16 ASP H H . . . 1 1 29 29 LYS HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 16 ASP H . . A . 29 LYS HB3 . . . 16 . HN . . . . . 29 . HB# . . rr_1awx 1 70 1 OR . 1 1 18 18 MET H H . . . 1 1 17 17 TYR HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 18 MET H . . A . 17 TYR HB2 . . . 18 . HN . . . . . 17 . HB# . . rr_1awx 1 70 2 OR . 1 1 17 17 TYR HB3 H . . . 1 1 18 18 MET H H . . . . . 5.0 0.0 5.7 . . . . . A . 17 TYR HB3 . . A . 18 MET H . . . 17 . HB# . . . . . 18 . HN . . rr_1awx 1 71 1 . . 1 1 18 18 MET H H . . . 1 1 17 17 TYR QD H . . . . . 5.0 0.0 7.0 . . . . . A . 18 MET H . . A . 17 TYR QD . . . 18 . HN . . . . . 17 . HD# . . rr_1awx 1 72 1 . . 1 1 17 17 TYR H H . . . 1 1 26 26 GLN HA H . . . . . 5.0 0.0 5.0 . . . . . A . 17 TYR H . . A . 26 GLN HA . . . 17 . HN . . . . . 26 . HA . . rr_1awx 1 73 1 . . 1 1 17 17 TYR H H . . . 1 1 27 27 LEU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 17 TYR H . . A . 27 LEU HB2 . . . 17 . HN . . . . . 27 . HB2 . . rr_1awx 1 74 1 . . 1 1 18 18 MET H H . . . 1 1 18 18 MET HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 18 MET H . . A . 18 MET HB3 . . . 18 . HN . . . . . 18 . HB1 . . rr_1awx 1 75 1 OR . 1 1 18 18 MET H H . . . 1 1 18 18 MET HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 18 MET H . . A . 18 MET HG2 . . . 18 . HN . . . . . 18 . HG# . . rr_1awx 1 75 2 OR . 1 1 18 18 MET H H . . . 1 1 18 18 MET HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 18 MET H . . A . 18 MET HG3 . . . 18 . HN . . . . . 18 . HG# . . rr_1awx 1 76 1 . . 1 1 19 19 PRO HA H . . . 1 1 20 20 MET H H . . . . . 2.8 0.0 2.8 . . . . . A . 19 PRO HA . . A . 20 MET H . . . 19 . HA . . . . . 20 . HN . . rr_1awx 1 77 1 OR . 1 1 20 20 MET H H . . . 1 1 19 19 PRO HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 20 MET H . . A . 19 PRO HB2 . . . 20 . HN . . . . . 19 . HB# . . rr_1awx 1 77 2 OR . 1 1 20 20 MET H H . . . 1 1 19 19 PRO HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 20 MET H . . A . 19 PRO HB3 . . . 20 . HN . . . . . 19 . HB# . . rr_1awx 1 78 1 . . 1 1 19 19 PRO HA H . . . 1 1 21 21 ASN H H . . . . . 5.0 0.0 5.0 . . . . . A . 19 PRO HA . . A . 21 ASN H . . . 19 . HA . . . . . 21 . HN . . rr_1awx 1 79 1 OR . 1 1 21 21 ASN H H . . . 1 1 19 19 PRO HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 21 ASN H . . A . 19 PRO HB2 . . . 21 . HN . . . . . 19 . HB# . . rr_1awx 1 79 2 OR . 1 1 19 19 PRO HB3 H . . . 1 1 21 21 ASN H H . . . . . 5.0 0.0 5.7 . . . . . A . 19 PRO HB3 . . A . 21 ASN H . . . 19 . HB# . . . . . 21 . HN . . rr_1awx 1 80 1 OR . 1 1 24 24 ASP H H . . . 1 1 19 19 PRO HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 24 ASP H . . A . 19 PRO HB2 . . . 24 . HN . . . . . 19 . HB# . . rr_1awx 1 80 2 OR . 1 1 19 19 PRO HB3 H . . . 1 1 24 24 ASP H H . . . . . 5.0 0.0 5.7 . . . . . A . 19 PRO HB3 . . A . 24 ASP H . . . 19 . HB# . . . . . 24 . HN . . rr_1awx 1 81 1 . . 1 1 20 20 MET H H . . . 1 1 20 20 MET HA H . . . . . 3.5 0.0 3.5 . . . . . A . 20 MET H . . A . 20 MET HA . . . 20 . HN . . . . . 20 . HA . . rr_1awx 1 82 1 OR . 1 1 20 20 MET H H . . . 1 1 20 20 MET HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 20 MET H . . A . 20 MET HG2 . . . 20 . HN . . . . . 20 . HG# . . rr_1awx 1 82 2 OR . 1 1 20 20 MET H H . . . 1 1 20 20 MET HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 20 MET H . . A . 20 MET HG3 . . . 20 . HN . . . . . 20 . HG# . . rr_1awx 1 83 1 . . 1 1 21 21 ASN H H . . . 1 1 20 20 MET HA H . . . . . 5.0 0.0 5.0 . . . . . A . 21 ASN H . . A . 20 MET HA . . . 21 . HN . . . . . 20 . HA . . rr_1awx 1 84 1 OR . 1 1 21 21 ASN H H . . . 1 1 20 20 MET HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 21 ASN H . . A . 20 MET HG2 . . . 21 . HN . . . . . 20 . HG# . . rr_1awx 1 84 2 OR . 1 1 21 21 ASN H H . . . 1 1 20 20 MET HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 21 ASN H . . A . 20 MET HG3 . . . 21 . HN . . . . . 20 . HG# . . rr_1awx 1 85 1 . . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HA H . . . . . 3.5 0.0 3.5 . . . . . A . 21 ASN H . . A . 21 ASN HA . . . 21 . HN . . . . . 21 . HA . . rr_1awx 1 86 1 OR . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 21 ASN H . . A . 21 ASN HB2 . . . 21 . HN . . . . . 21 . HB# . . rr_1awx 1 86 2 OR . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 21 ASN H . . A . 21 ASN HB3 . . . 21 . HN . . . . . 21 . HB# . . rr_1awx 1 87 1 . . 1 1 21 21 ASN HA H . . . 1 1 22 22 ALA H H . . . . . 3.5 0.0 3.5 . . . . . A . 21 ASN HA . . A . 22 ALA H . . . 21 . HA . . . . . 22 . HN . . rr_1awx 1 88 1 OR . 1 1 22 22 ALA H H . . . 1 1 21 21 ASN HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 22 ALA H . . A . 21 ASN HB2 . . . 22 . HN . . . . . 21 . HB# . . rr_1awx 1 88 2 OR . 1 1 21 21 ASN HB3 H . . . 1 1 22 22 ALA H H . . . . . 5.0 0.0 5.7 . . . . . A . 21 ASN HB3 . . A . 22 ALA H . . . 21 . HB# . . . . . 22 . HN . . rr_1awx 1 89 1 OR . 1 1 23 23 ASN H H . . . 1 1 21 21 ASN HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 23 ASN H . . A . 21 ASN HB2 . . . 23 . HN . . . . . 21 . HB# . . rr_1awx 1 89 2 OR . 1 1 21 21 ASN HB3 H . . . 1 1 23 23 ASN H H . . . . . 5.0 0.0 5.7 . . . . . A . 21 ASN HB3 . . A . 23 ASN H . . . 21 . HB# . . . . . 23 . HN . . rr_1awx 1 90 1 OR . 1 1 21 21 ASN H H . . . 1 1 24 24 ASP HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 21 ASN H . . A . 24 ASP HB2 . . . 21 . HN . . . . . 24 . HB# . . rr_1awx 1 90 2 OR . 1 1 21 21 ASN H H . . . 1 1 24 24 ASP HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 21 ASN H . . A . 24 ASP HB3 . . . 21 . HN . . . . . 24 . HB# . . rr_1awx 1 91 1 OR . 1 1 24 24 ASP H H . . . 1 1 21 21 ASN HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 24 ASP H . . A . 21 ASN HB2 . . . 24 . HN . . . . . 21 . HB# . . rr_1awx 1 91 2 OR . 1 1 24 24 ASP H H . . . 1 1 21 21 ASN HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 24 ASP H . . A . 21 ASN HB3 . . . 24 . HN . . . . . 21 . HB# . . rr_1awx 1 92 1 . . 1 1 22 22 ALA H H . . . 1 1 22 22 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 22 ALA H . . A . 22 ALA MB . . . 22 . HN . . . . . 22 . HB# . . rr_1awx 1 93 1 . . 1 1 23 23 ASN H H . . . 1 1 22 22 ALA HA H . . . . . 3.5 0.0 3.5 . . . . . A . 23 ASN H . . A . 22 ALA HA . . . 23 . HN . . . . . 22 . HA . . rr_1awx 1 94 1 . . 1 1 23 23 ASN H H . . . 1 1 22 22 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 23 ASN H . . A . 22 ALA MB . . . 23 . HN . . . . . 22 . HB# . . rr_1awx 1 95 1 . . 1 1 24 24 ASP H H . . . 1 1 22 22 ALA HA H . . . . . 5.0 0.0 5.0 . . . . . A . 24 ASP H . . A . 22 ALA HA . . . 24 . HN . . . . . 22 . HA . . rr_1awx 1 96 1 . . 1 1 23 23 ASN H H . . . 1 1 23 23 ASN HA H . . . . . 3.5 0.0 3.5 . . . . . A . 23 ASN H . . A . 23 ASN HA . . . 23 . HN . . . . . 23 . HA . . rr_1awx 1 97 1 . . 1 1 23 23 ASN H H . . . 1 1 23 23 ASN HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 23 ASN H . . A . 23 ASN HB2 . . . 23 . HN . . . . . 23 . HB2 . . rr_1awx 1 98 1 . . 1 1 24 24 ASP H H . . . 1 1 23 23 ASN HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 24 ASP H . . A . 23 ASN HB3 . . . 24 . HN . . . . . 23 . HB1 . . rr_1awx 1 99 1 . . 1 1 24 24 ASP H H . . . 1 1 24 24 ASP HA H . . . . . 3.5 0.0 3.5 . . . . . A . 24 ASP H . . A . 24 ASP HA . . . 24 . HN . . . . . 24 . HA . . rr_1awx 1 100 1 OR . 1 1 24 24 ASP H H . . . 1 1 24 24 ASP HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 24 ASP H . . A . 24 ASP HB2 . . . 24 . HN . . . . . 24 . HB# . . rr_1awx 1 100 2 OR . 1 1 24 24 ASP H H . . . 1 1 24 24 ASP HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 24 ASP H . . A . 24 ASP HB3 . . . 24 . HN . . . . . 24 . HB# . . rr_1awx 1 101 1 . . 1 1 24 24 ASP H H . . . 1 1 25 25 LEU H H . . . . . 5.0 0.0 5.0 . . . . . A . 24 ASP H . . A . 25 LEU H . . . 24 . HN . . . . . 25 . HN . . rr_1awx 1 102 1 . . 1 1 24 24 ASP HA H . . . 1 1 25 25 LEU H H . . . . . 2.8 0.0 2.8 . . . . . A . 24 ASP HA . . A . 25 LEU H . . . 24 . HA . . . . . 25 . HN . . rr_1awx 1 103 1 OR . 1 1 25 25 LEU H H . . . 1 1 24 24 ASP HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 25 LEU H . . A . 24 ASP HB2 . . . 25 . HN . . . . . 24 . HB# . . rr_1awx 1 103 2 OR . 1 1 24 24 ASP HB3 H . . . 1 1 25 25 LEU H H . . . . . 3.5 0.0 4.2 . . . . . A . 24 ASP HB3 . . A . 25 LEU H . . . 24 . HB# . . . . . 25 . HN . . rr_1awx 1 104 1 . . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 25 LEU H . . A . 25 LEU HA . . . 25 . HN . . . . . 25 . HA . . rr_1awx 1 105 1 OR . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 25 LEU H . . A . 25 LEU HB2 . . . 25 . HN . . . . . 25 . HB# . . rr_1awx 1 105 2 OR . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 25 LEU H . . A . 25 LEU HB3 . . . 25 . HN . . . . . 25 . HB# . . rr_1awx 1 106 1 OR . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU H . . A . 25 LEU MD1 . . . 25 . HN . . . . . 25 . HD# . . rr_1awx 1 106 2 OR . 1 1 25 25 LEU H H . . . 1 1 25 25 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU H . . A . 25 LEU MD2 . . . 25 . HN . . . . . 25 . HD# . . rr_1awx 1 107 1 . . 1 1 25 25 LEU HA H . . . 1 1 26 26 GLN H H . . . . . 3.5 0.0 3.5 . . . . . A . 25 LEU HA . . A . 26 GLN H . . . 25 . HA . . . . . 26 . HN . . rr_1awx 1 108 1 OR . 1 1 26 26 GLN H H . . . 1 1 25 25 LEU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 26 GLN H . . A . 25 LEU HB2 . . . 26 . HN . . . . . 25 . HB# . . rr_1awx 1 108 2 OR . 1 1 25 25 LEU HB3 H . . . 1 1 26 26 GLN H H . . . . . 5.0 0.0 5.7 . . . . . A . 25 LEU HB3 . . A . 26 GLN H . . . 25 . HB# . . . . . 26 . HN . . rr_1awx 1 109 1 OR . 1 1 26 26 GLN H H . . . 1 1 25 25 LEU MD1 H . . . . . 3.5 0.0 5.0 . . . . . A . 26 GLN H . . A . 25 LEU MD1 . . . 26 . HN . . . . . 25 . HD# . . rr_1awx 1 109 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 26 26 GLN H H . . . . . 3.5 0.0 5.0 . . . . . A . 25 LEU MD2 . . A . 26 GLN H . . . 25 . HD# . . . . . 26 . HN . . rr_1awx 1 110 1 OR . 1 1 46 46 ALA H H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 46 ALA H . . A . 25 LEU MD1 . . . 46 . HN . . . . . 25 . HD# . . rr_1awx 1 110 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 46 46 ALA H H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 46 ALA H . . . 25 . HD# . . . . . 46 . HN . . rr_1awx 1 111 1 OR . 1 1 25 25 LEU H H . . . 1 1 54 54 GLY HA2 H . . . . . 5.0 0.0 5.7 . . . . . A . 25 LEU H . . A . 54 GLY HA2 . . . 25 . HN . . . . . 54 . HA# . . rr_1awx 1 111 2 OR . 1 1 25 25 LEU H H . . . 1 1 54 54 GLY HA3 H . . . . . 5.0 0.0 5.7 . . . . . A . 25 LEU H . . A . 54 GLY HA3 . . . 25 . HN . . . . . 54 . HA# . . rr_1awx 1 112 1 OR . 1 1 54 54 GLY H H . . . 1 1 25 25 LEU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 54 GLY H . . A . 25 LEU HB2 . . . 54 . HN . . . . . 25 . HB# . . rr_1awx 1 112 2 OR . 1 1 25 25 LEU HB3 H . . . 1 1 54 54 GLY H H . . . . . 5.0 0.0 5.7 . . . . . A . 25 LEU HB3 . . A . 54 GLY H . . . 25 . HB# . . . . . 54 . HN . . rr_1awx 1 113 1 OR . 1 1 54 54 GLY H H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 54 GLY H . . A . 25 LEU MD1 . . . 54 . HN . . . . . 25 . HD# . . rr_1awx 1 113 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 54 54 GLY H H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 54 GLY H . . . 25 . HD# . . . . . 54 . HN . . rr_1awx 1 114 1 . . 1 1 26 26 GLN HA H . . . 1 1 26 26 GLN H H . . . . . 3.5 0.0 3.5 . . . . . A . 26 GLN HA . . A . 26 GLN H . . . 26 . HA . . . . . 26 . HN . . rr_1awx 1 115 1 OR . 1 1 26 26 GLN H H . . . 1 1 26 26 GLN HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 26 GLN H . . A . 26 GLN HG2 . . . 26 . HN . . . . . 26 . HG# . . rr_1awx 1 115 2 OR . 1 1 26 26 GLN H H . . . 1 1 26 26 GLN HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 26 GLN H . . A . 26 GLN HG3 . . . 26 . HN . . . . . 26 . HG# . . rr_1awx 1 116 1 OR . 1 1 26 26 GLN HE22 H . . . 1 1 26 26 GLN HG2 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HE22 . . A . 26 GLN HG2 . . . 26 . HE2# . . . . . 26 . HG# . . rr_1awx 1 116 2 OR . 1 1 26 26 GLN HE21 H . . . 1 1 26 26 GLN HG2 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HE21 . . A . 26 GLN HG2 . . . 26 . HE2# . . . . . 26 . HG# . . rr_1awx 1 116 3 OR . 1 1 26 26 GLN HG3 H . . . 1 1 26 26 GLN HE22 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HG3 . . A . 26 GLN HE22 . . . 26 . HG# . . . . . 26 . HE2# . . rr_1awx 1 116 4 OR . 1 1 26 26 GLN HG3 H . . . 1 1 26 26 GLN HE21 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HG3 . . A . 26 GLN HE21 . . . 26 . HG# . . . . . 26 . HE2# . . rr_1awx 1 117 1 OR . 1 1 26 26 GLN HB2 H . . . 1 1 26 26 GLN HE22 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HB2 . . A . 26 GLN HE22 . . . 26 . HB# . . . . . 26 . HE2# . . rr_1awx 1 117 2 OR . 1 1 26 26 GLN HB3 H . . . 1 1 26 26 GLN HE22 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HB3 . . A . 26 GLN HE22 . . . 26 . HB# . . . . . 26 . HE2# . . rr_1awx 1 117 3 OR . 1 1 26 26 GLN HE21 H . . . 1 1 26 26 GLN HB3 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HE21 . . A . 26 GLN HB3 . . . 26 . HE2# . . . . . 26 . HB# . . rr_1awx 1 117 4 OR . 1 1 26 26 GLN HE21 H . . . 1 1 26 26 GLN HB2 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HE21 . . A . 26 GLN HB2 . . . 26 . HE2# . . . . . 26 . HB# . . rr_1awx 1 118 1 . . 1 1 26 26 GLN HA H . . . 1 1 27 27 LEU H H . . . . . 2.8 0.0 2.8 . . . . . A . 26 GLN HA . . A . 27 LEU H . . . 26 . HA . . . . . 27 . HN . . rr_1awx 1 119 1 OR . 1 1 27 27 LEU H H . . . 1 1 26 26 GLN HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 27 LEU H . . A . 26 GLN HG2 . . . 27 . HN . . . . . 26 . HG# . . rr_1awx 1 119 2 OR . 1 1 26 26 GLN HG3 H . . . 1 1 27 27 LEU H H . . . . . 5.0 0.0 5.7 . . . . . A . 26 GLN HG3 . . A . 27 LEU H . . . 26 . HG# . . . . . 27 . HN . . rr_1awx 1 120 1 . . 1 1 27 27 LEU H H . . . 1 1 27 27 LEU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 27 LEU H . . A . 27 LEU HA . . . 27 . HN . . . . . 27 . HA . . rr_1awx 1 121 1 . . 1 1 27 27 LEU H H . . . 1 1 27 27 LEU HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 27 LEU H . . A . 27 LEU HB3 . . . 27 . HN . . . . . 27 . HB1 . . rr_1awx 1 122 1 . . 1 1 27 27 LEU H H . . . 1 1 27 27 LEU HG H . . . . . 3.5 0.0 3.5 . . . . . A . 27 LEU H . . A . 27 LEU HG . . . 27 . HN . . . . . 27 . HG . . rr_1awx 1 123 1 OR . 1 1 27 27 LEU H H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 27 LEU H . . A . 27 LEU MD1 . . . 27 . HN . . . . . 27 . HD# . . rr_1awx 1 123 2 OR . 1 1 27 27 LEU H H . . . 1 1 27 27 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 27 LEU H . . A . 27 LEU MD2 . . . 27 . HN . . . . . 27 . HD# . . rr_1awx 1 124 1 . . 1 1 27 27 LEU HA H . . . 1 1 28 28 ARG H H . . . . . 2.8 0.0 2.8 . . . . . A . 27 LEU HA . . A . 28 ARG H . . . 27 . HA . . . . . 28 . HN . . rr_1awx 1 125 1 . . 1 1 27 27 LEU HB2 H . . . 1 1 28 28 ARG H H . . . . . 3.5 0.0 3.5 . . . . . A . 27 LEU HB2 . . A . 28 ARG H . . . 27 . HB2 . . . . . 28 . HN . . rr_1awx 1 126 1 . . 1 1 27 27 LEU HG H . . . 1 1 28 28 ARG H H . . . . . 3.5 0.0 4.2 . . . . . A . 27 LEU HG . . A . 28 ARG H . . . 27 . HG# . . . . . 28 . HN . . rr_1awx 1 127 1 OR . 1 1 28 28 ARG H H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 28 ARG H . . A . 27 LEU MD1 . . . 28 . HN . . . . . 27 . HD# . . rr_1awx 1 127 2 OR . 1 1 27 27 LEU MD2 H . . . 1 1 28 28 ARG H H . . . . . 5.0 0.0 6.5 . . . . . A . 27 LEU MD2 . . A . 28 ARG H . . . 27 . HD# . . . . . 28 . HN . . rr_1awx 1 128 1 . . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HA H . . . . . 3.5 0.0 3.5 . . . . . A . 28 ARG H . . A . 28 ARG HA . . . 28 . HN . . . . . 28 . HA . . rr_1awx 1 129 1 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 28 ARG H . . A . 28 ARG HB2 . . . 28 . HN . . . . . 28 . HB# . . rr_1awx 1 129 2 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 28 ARG H . . A . 28 ARG HB3 . . . 28 . HN . . . . . 28 . HB# . . rr_1awx 1 130 1 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 28 ARG H . . A . 28 ARG HG2 . . . 28 . HN . . . . . 28 . HG# . . rr_1awx 1 130 2 OR . 1 1 28 28 ARG H H . . . 1 1 28 28 ARG HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 28 ARG H . . A . 28 ARG HG3 . . . 28 . HN . . . . . 28 . HG# . . rr_1awx 1 131 1 . . 1 1 28 28 ARG HA H . . . 1 1 29 29 LYS H H . . . . . 2.8 0.0 2.8 . . . . . A . 28 ARG HA . . A . 29 LYS H . . . 28 . HA . . . . . 29 . HN . . rr_1awx 1 132 1 OR . 1 1 29 29 LYS H H . . . 1 1 28 28 ARG HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 29 LYS H . . A . 28 ARG HB2 . . . 29 . HN . . . . . 28 . HB# . . rr_1awx 1 132 2 OR . 1 1 28 28 ARG HB3 H . . . 1 1 29 29 LYS H H . . . . . 3.5 0.0 4.2 . . . . . A . 28 ARG HB3 . . A . 29 LYS H . . . 28 . HB# . . . . . 29 . HN . . rr_1awx 1 133 1 OR . 1 1 28 28 ARG H H . . . 1 1 31 31 ASP HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 28 ARG H . . A . 31 ASP HB2 . . . 28 . HN . . . . . 31 . HB# . . rr_1awx 1 133 2 OR . 1 1 28 28 ARG H H . . . 1 1 31 31 ASP HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 28 ARG H . . A . 31 ASP HB3 . . . 28 . HN . . . . . 31 . HB# . . rr_1awx 1 134 1 . . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS H H . . . . . 2.8 0.0 2.8 . . . . . A . 29 LYS HA . . A . 29 LYS H . . . 29 . HA . . . . . 29 . HN . . rr_1awx 1 135 1 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 29 LYS H . . A . 29 LYS HB2 . . . 29 . HN . . . . . 29 . HB# . . rr_1awx 1 135 2 OR . 1 1 29 29 LYS HB3 H . . . 1 1 29 29 LYS H H . . . . . 3.5 0.0 4.2 . . . . . A . 29 LYS HB3 . . A . 29 LYS H . . . 29 . HB# . . . . . 29 . HN . . rr_1awx 1 136 1 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 29 LYS H . . A . 29 LYS HG2 . . . 29 . HN . . . . . 29 . HG# . . rr_1awx 1 136 2 OR . 1 1 29 29 LYS H H . . . 1 1 29 29 LYS HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 29 LYS H . . A . 29 LYS HG3 . . . 29 . HN . . . . . 29 . HG# . . rr_1awx 1 137 1 . . 1 1 30 30 GLY H H . . . 1 1 29 29 LYS HA H . . . . . 2.8 0.0 2.8 . . . . . A . 30 GLY H . . A . 29 LYS HA . . . 30 . HN . . . . . 29 . HA . . rr_1awx 1 138 1 OR . 1 1 30 30 GLY H H . . . 1 1 29 29 LYS HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 30 GLY H . . A . 29 LYS HB2 . . . 30 . HN . . . . . 29 . HB# . . rr_1awx 1 138 2 OR . 1 1 30 30 GLY H H . . . 1 1 29 29 LYS HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 30 GLY H . . A . 29 LYS HB3 . . . 30 . HN . . . . . 29 . HB# . . rr_1awx 1 139 1 OR . 1 1 30 30 GLY H H . . . 1 1 29 29 LYS HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 30 GLY H . . A . 29 LYS HG2 . . . 30 . HN . . . . . 29 . HG# . . rr_1awx 1 139 2 OR . 1 1 30 30 GLY H H . . . 1 1 29 29 LYS HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 30 GLY H . . A . 29 LYS HG3 . . . 30 . HN . . . . . 29 . HG# . . rr_1awx 1 140 1 . . 1 1 29 29 LYS HA H . . . 1 1 31 31 ASP H H . . . . . 3.5 0.0 3.5 . . . . . A . 29 LYS HA . . A . 31 ASP H . . . 29 . HA . . . . . 31 . HN . . rr_1awx 1 141 1 OR . 1 1 30 30 GLY H H . . . 1 1 30 30 GLY HA2 H . . . . . 3.5 0.0 4.2 . . . . . A . 30 GLY H . . A . 30 GLY HA2 . . . 30 . HN . . . . . 30 . HA# . . rr_1awx 1 141 2 OR . 1 1 30 30 GLY H H . . . 1 1 30 30 GLY HA3 H . . . . . 3.5 0.0 4.2 . . . . . A . 30 GLY H . . A . 30 GLY HA3 . . . 30 . HN . . . . . 30 . HA# . . rr_1awx 1 142 1 . . 1 1 30 30 GLY H H . . . 1 1 31 31 ASP H H . . . . . 3.5 0.0 3.5 . . . . . A . 30 GLY H . . A . 31 ASP H . . . 30 . HN . . . . . 31 . HN . . rr_1awx 1 143 1 OR . 1 1 31 31 ASP H H . . . 1 1 30 30 GLY HA2 H . . . . . 3.5 0.0 4.2 . . . . . A . 31 ASP H . . A . 30 GLY HA2 . . . 31 . HN . . . . . 30 . HA# . . rr_1awx 1 143 2 OR . 1 1 31 31 ASP H H . . . 1 1 30 30 GLY HA3 H . . . . . 3.5 0.0 4.2 . . . . . A . 31 ASP H . . A . 30 GLY HA3 . . . 31 . HN . . . . . 30 . HA# . . rr_1awx 1 144 1 . . 1 1 31 31 ASP H H . . . 1 1 31 31 ASP HA H . . . . . 2.8 0.0 2.8 . . . . . A . 31 ASP H . . A . 31 ASP HA . . . 31 . HN . . . . . 31 . HA . . rr_1awx 1 145 1 OR . 1 1 31 31 ASP H H . . . 1 1 31 31 ASP HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 31 ASP H . . A . 31 ASP HB2 . . . 31 . HN . . . . . 31 . HB# . . rr_1awx 1 145 2 OR . 1 1 31 31 ASP HB3 H . . . 1 1 31 31 ASP H H . . . . . 3.5 0.0 4.2 . . . . . A . 31 ASP HB3 . . A . 31 ASP H . . . 31 . HB# . . . . . 31 . HN . . rr_1awx 1 146 1 . . 1 1 31 31 ASP HA H . . . 1 1 32 32 GLU H H . . . . . 2.8 0.0 2.8 . . . . . A . 31 ASP HA . . A . 32 GLU H . . . 31 . HA . . . . . 32 . HN . . rr_1awx 1 147 1 OR . 1 1 32 32 GLU H H . . . 1 1 31 31 ASP HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 32 GLU H . . A . 31 ASP HB2 . . . 32 . HN . . . . . 31 . HB# . . rr_1awx 1 147 2 OR . 1 1 31 31 ASP HB3 H . . . 1 1 32 32 GLU H H . . . . . 3.5 0.0 4.2 . . . . . A . 31 ASP HB3 . . A . 32 GLU H . . . 31 . HB# . . . . . 32 . HN . . rr_1awx 1 148 1 . . 1 1 32 32 GLU H H . . . 1 1 32 32 GLU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 32 GLU H . . A . 32 GLU HA . . . 32 . HN . . . . . 32 . HA . . rr_1awx 1 149 1 OR . 1 1 32 32 GLU H H . . . 1 1 32 32 GLU HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 32 GLU H . . A . 32 GLU HG2 . . . 32 . HN . . . . . 32 . HG# . . rr_1awx 1 149 2 OR . 1 1 32 32 GLU H H . . . 1 1 32 32 GLU HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 32 GLU H . . A . 32 GLU HG3 . . . 32 . HN . . . . . 32 . HG# . . rr_1awx 1 150 1 . . 1 1 33 33 TYR H H . . . 1 1 32 32 GLU HA H . . . . . 2.8 0.0 2.8 . . . . . A . 33 TYR H . . A . 32 GLU HA . . . 33 . HN . . . . . 32 . HA . . rr_1awx 1 151 1 . . 1 1 33 33 TYR H H . . . 1 1 32 32 GLU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 33 TYR H . . A . 32 GLU HB2 . . . 33 . HN . . . . . 32 . HB2 . . rr_1awx 1 152 1 OR . 1 1 33 33 TYR H H . . . 1 1 32 32 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 33 TYR H . . A . 32 GLU HG2 . . . 33 . HN . . . . . 32 . HG# . . rr_1awx 1 152 2 OR . 1 1 33 33 TYR H H . . . 1 1 32 32 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 33 TYR H . . A . 32 GLU HG3 . . . 33 . HN . . . . . 32 . HG# . . rr_1awx 1 153 1 . . 1 1 33 33 TYR H H . . . 1 1 33 33 TYR HA H . . . . . 3.5 0.0 3.5 . . . . . A . 33 TYR H . . A . 33 TYR HA . . . 33 . HN . . . . . 33 . HA . . rr_1awx 1 154 1 . . 1 1 33 33 TYR H H . . . 1 1 33 33 TYR HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 33 TYR H . . A . 33 TYR HB3 . . . 33 . HN . . . . . 33 . HB1 . . rr_1awx 1 155 1 . . 1 1 33 33 TYR HA H . . . 1 1 34 34 PHE H H . . . . . 2.8 0.0 2.8 . . . . . A . 33 TYR HA . . A . 34 PHE H . . . 33 . HA . . . . . 34 . HN . . rr_1awx 1 156 1 . . 1 1 34 34 PHE H H . . . 1 1 33 33 TYR HB2 H . . . . . 2.8 0.0 2.8 . . . . . A . 34 PHE H . . A . 33 TYR HB2 . . . 34 . HN . . . . . 33 . HB2 . . rr_1awx 1 157 1 . . 1 1 34 34 PHE H H . . . 1 1 33 33 TYR QD H . . . . . 5.0 0.0 7.0 . . . . . A . 34 PHE H . . A . 33 TYR QD . . . 34 . HN . . . . . 33 . HD# . . rr_1awx 1 158 1 . . 1 1 34 34 PHE HA H . . . 1 1 34 34 PHE H H . . . . . 3.5 0.0 3.5 . . . . . A . 34 PHE HA . . A . 34 PHE H . . . 34 . HA . . . . . 34 . HN . . rr_1awx 1 159 1 . . 1 1 34 34 PHE H H . . . 1 1 34 34 PHE HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 34 PHE H . . A . 34 PHE HB3 . . . 34 . HN . . . . . 34 . HB1 . . rr_1awx 1 160 1 . . 1 1 34 34 PHE H H . . . 1 1 34 34 PHE QD H . . . . . 5.0 0.0 7.0 . . . . . A . 34 PHE H . . A . 34 PHE QD . . . 34 . HN . . . . . 34 . HD# . . rr_1awx 1 161 1 . . 1 1 35 35 ILE H H . . . 1 1 34 34 PHE HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 35 ILE H . . A . 34 PHE HB3 . . . 35 . HN . . . . . 34 . HB1 . . rr_1awx 1 162 1 . . 1 1 34 34 PHE H H . . . 1 1 46 46 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 34 PHE H . . A . 46 ALA MB . . . 34 . HN . . . . . 46 . HB# . . rr_1awx 1 163 1 . . 1 1 34 34 PHE H H . . . 1 1 47 47 ARG HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 34 PHE H . . A . 47 ARG HB2 . . . 34 . HN . . . . . 47 . HB2 . . rr_1awx 1 164 1 . . 1 1 34 34 PHE HB2 H . . . 1 1 47 47 ARG H H . . . . . 3.5 0.0 3.5 . . . . . A . 34 PHE HB2 . . A . 47 ARG H . . . 34 . HB2 . . . . . 47 . HN . . rr_1awx 1 165 1 . . 1 1 34 34 PHE H H . . . 1 1 48 48 ASP HA H . . . . . 3.5 0.0 3.5 . . . . . A . 34 PHE H . . A . 48 ASP HA . . . 34 . HN . . . . . 48 . HA . . rr_1awx 1 166 1 . . 1 1 35 35 ILE H H . . . 1 1 35 35 ILE HA H . . . . . 3.5 0.0 3.5 . . . . . A . 35 ILE H . . A . 35 ILE HA . . . 35 . HN . . . . . 35 . HA . . rr_1awx 1 167 1 . . 1 1 35 35 ILE H H . . . 1 1 35 35 ILE HB H . . . . . 2.8 0.0 2.8 . . . . . A . 35 ILE H . . A . 35 ILE HB . . . 35 . HN . . . . . 35 . HB . . rr_1awx 1 168 1 . . 1 1 35 35 ILE H H . . . 1 1 35 35 ILE MG H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE H . . A . 35 ILE MG . . . 35 . HN . . . . . 35 . HG2# . . rr_1awx 1 169 1 . . 1 1 35 35 ILE H H . . . 1 1 35 35 ILE MD H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE H . . A . 35 ILE MD . . . 35 . HN . . . . . 35 . HD1# . . rr_1awx 1 170 1 . . 1 1 35 35 ILE MD H . . . 1 1 36 36 LEU H H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE MD . . A . 36 LEU H . . . 35 . HD1# . . . . . 36 . HN . . rr_1awx 1 171 1 . . 1 1 35 35 ILE H H . . . 1 1 46 46 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE H . . A . 46 ALA MB . . . 35 . HN . . . . . 46 . HB# . . rr_1awx 1 172 1 . . 1 1 47 47 ARG H H . . . 1 1 35 35 ILE HA H . . . . . 5.0 0.0 5.0 . . . . . A . 47 ARG H . . A . 35 ILE HA . . . 47 . HN . . . . . 35 . HA . . rr_1awx 1 173 1 . . 1 1 36 36 LEU H H . . . 1 1 36 36 LEU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 36 LEU H . . A . 36 LEU HA . . . 36 . HN . . . . . 36 . HA . . rr_1awx 1 174 1 OR . 1 1 36 36 LEU H H . . . 1 1 36 36 LEU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 36 LEU H . . A . 36 LEU HB2 . . . 36 . HN . . . . . 36 . HB# . . rr_1awx 1 174 2 OR . 1 1 36 36 LEU H H . . . 1 1 36 36 LEU HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 36 LEU H . . A . 36 LEU HB3 . . . 36 . HN . . . . . 36 . HB# . . rr_1awx 1 175 1 OR . 1 1 36 36 LEU H H . . . 1 1 36 36 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 36 LEU H . . A . 36 LEU MD1 . . . 36 . HN . . . . . 36 . HD# . . rr_1awx 1 175 2 OR . 1 1 36 36 LEU H H . . . 1 1 36 36 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 36 LEU H . . A . 36 LEU MD2 . . . 36 . HN . . . . . 36 . HD# . . rr_1awx 1 176 1 . . 1 1 36 36 LEU H H . . . 1 1 37 37 GLU H H . . . . . 3.5 0.0 3.5 . . . . . A . 36 LEU H . . A . 37 GLU H . . . 36 . HN . . . . . 37 . HN . . rr_1awx 1 177 1 OR . 1 1 37 37 GLU H H . . . 1 1 36 36 LEU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 37 GLU H . . A . 36 LEU HB2 . . . 37 . HN . . . . . 36 . HB# . . rr_1awx 1 177 2 OR . 1 1 36 36 LEU HB3 H . . . 1 1 37 37 GLU H H . . . . . 3.5 0.0 4.2 . . . . . A . 36 LEU HB3 . . A . 37 GLU H . . . 36 . HB# . . . . . 37 . HN . . rr_1awx 1 178 1 OR . 1 1 37 37 GLU H H . . . 1 1 36 36 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 37 GLU H . . A . 36 LEU MD1 . . . 37 . HN . . . . . 36 . HD# . . rr_1awx 1 178 2 OR . 1 1 36 36 LEU MD2 H . . . 1 1 37 37 GLU H H . . . . . 5.0 0.0 6.5 . . . . . A . 36 LEU MD2 . . A . 37 GLU H . . . 36 . HD# . . . . . 37 . HN . . rr_1awx 1 179 1 . . 1 1 36 36 LEU H H . . . 1 1 46 46 ALA HA H . . . . . 3.5 0.0 3.5 . . . . . A . 36 LEU H . . A . 46 ALA HA . . . 36 . HN . . . . . 46 . HA . . rr_1awx 1 180 1 OR . 1 1 46 46 ALA H H . . . 1 1 36 36 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 46 ALA H . . A . 36 LEU MD1 . . . 46 . HN . . . . . 36 . HD# . . rr_1awx 1 180 2 OR . 1 1 46 46 ALA H H . . . 1 1 36 36 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 46 ALA H . . A . 36 LEU MD2 . . . 46 . HN . . . . . 36 . HD# . . rr_1awx 1 181 1 . . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 37 GLU H . . A . 37 GLU HA . . . 37 . HN . . . . . 37 . HA . . rr_1awx 1 182 1 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 37 GLU H . . A . 37 GLU HB2 . . . 37 . HN . . . . . 37 . HB# . . rr_1awx 1 182 2 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 37 GLU H . . A . 37 GLU HB3 . . . 37 . HN . . . . . 37 . HB# . . rr_1awx 1 183 1 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 37 GLU H . . A . 37 GLU HG2 . . . 37 . HN . . . . . 37 . HG# . . rr_1awx 1 183 2 OR . 1 1 37 37 GLU H H . . . 1 1 37 37 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 37 GLU H . . A . 37 GLU HG3 . . . 37 . HN . . . . . 37 . HG# . . rr_1awx 1 184 1 . . 1 1 37 37 GLU HA H . . . 1 1 38 38 GLU H H . . . . . 2.8 0.0 2.8 . . . . . A . 37 GLU HA . . A . 38 GLU H . . . 37 . HA . . . . . 38 . HN . . rr_1awx 1 185 1 OR . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 38 GLU H . . A . 37 GLU HB2 . . . 38 . HN . . . . . 37 . HB# . . rr_1awx 1 185 2 OR . 1 1 37 37 GLU HB3 H . . . 1 1 38 38 GLU H H . . . . . 5.0 0.0 5.7 . . . . . A . 37 GLU HB3 . . A . 38 GLU H . . . 37 . HB# . . . . . 38 . HN . . rr_1awx 1 186 1 OR . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 38 GLU H . . A . 37 GLU HG2 . . . 38 . HN . . . . . 37 . HG# . . rr_1awx 1 186 2 OR . 1 1 37 37 GLU HG3 H . . . 1 1 38 38 GLU H H . . . . . 5.0 0.0 5.7 . . . . . A . 37 GLU HG3 . . A . 38 GLU H . . . 37 . HG# . . . . . 38 . HN . . rr_1awx 1 187 1 OR . 1 1 45 45 ARG H H . . . 1 1 37 37 GLU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 45 ARG H . . A . 37 GLU HB2 . . . 45 . HN . . . . . 37 . HB# . . rr_1awx 1 187 2 OR . 1 1 37 37 GLU HB3 H . . . 1 1 45 45 ARG H H . . . . . 5.0 0.0 5.7 . . . . . A . 37 GLU HB3 . . A . 45 ARG H . . . 37 . HB# . . . . . 45 . HN . . rr_1awx 1 188 1 . . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 38 GLU H . . A . 38 GLU HA . . . 38 . HN . . . . . 38 . HA . . rr_1awx 1 189 1 . . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 38 GLU H . . A . 38 GLU HB3 . . . 38 . HN . . . . . 38 . HB1 . . rr_1awx 1 190 1 OR . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 38 GLU H . . A . 38 GLU HG2 . . . 38 . HN . . . . . 38 . HG# . . rr_1awx 1 190 2 OR . 1 1 38 38 GLU H H . . . 1 1 38 38 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 38 GLU H . . A . 38 GLU HG3 . . . 38 . HN . . . . . 38 . HG# . . rr_1awx 1 191 1 . . 1 1 38 38 GLU HA H . . . 1 1 39 39 SER H H . . . . . 2.8 0.0 2.8 . . . . . A . 38 GLU HA . . A . 39 SER H . . . 38 . HA . . . . . 39 . HN . . rr_1awx 1 192 1 . . 1 1 39 39 SER H H . . . 1 1 38 38 GLU HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 39 SER H . . A . 38 GLU HB2 . . . 39 . HN . . . . . 38 . HB2 . . rr_1awx 1 193 1 OR . 1 1 39 39 SER H H . . . 1 1 38 38 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 39 SER H . . A . 38 GLU HG2 . . . 39 . HN . . . . . 38 . HG# . . rr_1awx 1 193 2 OR . 1 1 38 38 GLU HG3 H . . . 1 1 39 39 SER H H . . . . . 5.0 0.0 5.7 . . . . . A . 38 GLU HG3 . . A . 39 SER H . . . 38 . HG# . . . . . 39 . HN . . rr_1awx 1 194 1 . . 1 1 39 39 SER H H . . . 1 1 39 39 SER HA H . . . . . 3.5 0.0 3.5 . . . . . A . 39 SER H . . A . 39 SER HA . . . 39 . HN . . . . . 39 . HA . . rr_1awx 1 195 1 . . 1 1 39 39 SER H H . . . 1 1 39 39 SER HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 39 SER H . . A . 39 SER HB2 . . . 39 . HN . . . . . 39 . HB2 . . rr_1awx 1 196 1 . . 1 1 39 39 SER HA H . . . 1 1 40 40 ASN H H . . . . . 3.5 0.0 3.5 . . . . . A . 39 SER HA . . A . 40 ASN H . . . 39 . HA . . . . . 40 . HN . . rr_1awx 1 197 1 . . 1 1 39 39 SER HB2 H . . . 1 1 40 40 ASN H H . . . . . 5.0 0.0 5.0 . . . . . A . 39 SER HB2 . . A . 40 ASN H . . . 39 . HB2 . . . . . 40 . HN . . rr_1awx 1 198 1 . . 1 1 39 39 SER HB3 H . . . 1 1 41 41 LEU H H . . . . . 5.0 0.0 5.0 . . . . . A . 39 SER HB3 . . A . 41 LEU H . . . 39 . HB1 . . . . . 41 . HN . . rr_1awx 1 199 1 . . 1 1 40 40 ASN H H . . . 1 1 40 40 ASN HA H . . . . . 5.0 0.0 5.0 . . . . . A . 40 ASN H . . A . 40 ASN HA . . . 40 . HN . . . . . 40 . HA . . rr_1awx 1 200 1 OR . 1 1 40 40 ASN H H . . . 1 1 40 40 ASN HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 40 ASN H . . A . 40 ASN HB2 . . . 40 . HN . . . . . 40 . HB# . . rr_1awx 1 200 2 OR . 1 1 40 40 ASN H H . . . 1 1 40 40 ASN HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 40 ASN H . . A . 40 ASN HB3 . . . 40 . HN . . . . . 40 . HB# . . rr_1awx 1 201 1 OR . 1 1 40 40 ASN HB2 H . . . 1 1 40 40 ASN HD22 H . . . . . 5.0 0.0 6.4 . . . . . A . 40 ASN HB2 . . A . 40 ASN HD22 . . . 40 . HB# . . . . . 40 . HD2# . . rr_1awx 1 201 2 OR . 1 1 40 40 ASN HB3 H . . . 1 1 40 40 ASN HD22 H . . . . . 5.0 0.0 6.4 . . . . . A . 40 ASN HB3 . . A . 40 ASN HD22 . . . 40 . HB# . . . . . 40 . HD2# . . rr_1awx 1 201 3 OR . 1 1 40 40 ASN HD21 H . . . 1 1 40 40 ASN HB2 H . . . . . 5.0 0.0 6.4 . . . . . A . 40 ASN HD21 . . A . 40 ASN HB2 . . . 40 . HD2# . . . . . 40 . HB# . . rr_1awx 1 201 4 OR . 1 1 40 40 ASN HB3 H . . . 1 1 40 40 ASN HD21 H . . . . . 5.0 0.0 6.4 . . . . . A . 40 ASN HB3 . . A . 40 ASN HD21 . . . 40 . HB# . . . . . 40 . HD2# . . rr_1awx 1 202 1 . . 1 1 40 40 ASN H H . . . 1 1 41 41 LEU H H . . . . . 5.0 0.0 5.0 . . . . . A . 40 ASN H . . A . 41 LEU H . . . 40 . HN . . . . . 41 . HN . . rr_1awx 1 203 1 . . 1 1 41 41 LEU H H . . . 1 1 40 40 ASN HA H . . . . . 5.0 0.0 5.0 . . . . . A . 41 LEU H . . A . 40 ASN HA . . . 41 . HN . . . . . 40 . HA . . rr_1awx 1 204 1 OR . 1 1 41 41 LEU H H . . . 1 1 40 40 ASN HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 41 LEU H . . A . 40 ASN HB2 . . . 41 . HN . . . . . 40 . HB# . . rr_1awx 1 204 2 OR . 1 1 41 41 LEU H H . . . 1 1 40 40 ASN HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 41 LEU H . . A . 40 ASN HB3 . . . 41 . HN . . . . . 40 . HB# . . rr_1awx 1 205 1 . . 1 1 41 41 LEU H H . . . 1 1 41 41 LEU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 41 LEU H . . A . 41 LEU HA . . . 41 . HN . . . . . 41 . HA . . rr_1awx 1 206 1 . . 1 1 41 41 LEU H H . . . 1 1 41 41 LEU HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 41 LEU H . . A . 41 LEU HB3 . . . 41 . HN . . . . . 41 . HB1 . . rr_1awx 1 207 1 . . 1 1 41 41 LEU H H . . . 1 1 41 41 LEU HG H . . . . . 3.5 0.0 3.5 . . . . . A . 41 LEU H . . A . 41 LEU HG . . . 41 . HN . . . . . 41 . HG . . rr_1awx 1 208 1 OR . 1 1 41 41 LEU H H . . . 1 1 41 41 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 41 LEU H . . A . 41 LEU MD1 . . . 41 . HN . . . . . 41 . HD# . . rr_1awx 1 208 2 OR . 1 1 41 41 LEU H H . . . 1 1 41 41 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 41 LEU H . . A . 41 LEU MD2 . . . 41 . HN . . . . . 41 . HD# . . rr_1awx 1 209 1 . . 1 1 42 42 PRO HA H . . . 1 1 43 43 TRP H H . . . . . 5.0 0.0 5.0 . . . . . A . 42 PRO HA . . A . 43 TRP H . . . 42 . HA . . . . . 43 . HN . . rr_1awx 1 210 1 OR . 1 1 43 43 TRP H H . . . 1 1 42 42 PRO HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 43 TRP H . . A . 42 PRO HB2 . . . 43 . HN . . . . . 42 . HB# . . rr_1awx 1 210 2 OR . 1 1 43 43 TRP H H . . . 1 1 42 42 PRO HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 43 TRP H . . A . 42 PRO HB3 . . . 43 . HN . . . . . 42 . HB# . . rr_1awx 1 211 1 OR . 1 1 43 43 TRP H H . . . 1 1 42 42 PRO HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 43 TRP H . . A . 42 PRO HG2 . . . 43 . HN . . . . . 42 . HG# . . rr_1awx 1 211 2 OR . 1 1 43 43 TRP H H . . . 1 1 42 42 PRO HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 43 TRP H . . A . 42 PRO HG3 . . . 43 . HN . . . . . 42 . HG# . . rr_1awx 1 212 1 OR . 1 1 43 43 TRP H H . . . 1 1 42 42 PRO HD2 H . . . . . 5.0 0.0 5.7 . . . . . A . 43 TRP H . . A . 42 PRO HD2 . . . 43 . HN . . . . . 42 . HD# . . rr_1awx 1 212 2 OR . 1 1 43 43 TRP H H . . . 1 1 42 42 PRO HD3 H . . . . . 5.0 0.0 5.7 . . . . . A . 43 TRP H . . A . 42 PRO HD3 . . . 43 . HN . . . . . 42 . HD# . . rr_1awx 1 213 1 . . 1 1 42 42 PRO HA H . . . 1 1 58 58 SER H H . . . . . 3.5 0.0 3.5 . . . . . A . 42 PRO HA . . A . 58 SER H . . . 42 . HA . . . . . 58 . HN . . rr_1awx 1 214 1 . . 1 1 43 43 TRP H H . . . 1 1 43 43 TRP HA H . . . . . 3.5 0.0 3.5 . . . . . A . 43 TRP H . . A . 43 TRP HA . . . 43 . HN . . . . . 43 . HA . . rr_1awx 1 215 1 . . 1 1 43 43 TRP H H . . . 1 1 43 43 TRP HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 43 TRP H . . A . 43 TRP HB3 . . . 43 . HN . . . . . 43 . HB1 . . rr_1awx 1 216 1 . . 1 1 43 43 TRP HA H . . . 1 1 44 44 TRP H H . . . . . 2.8 0.0 2.8 . . . . . A . 43 TRP HA . . A . 44 TRP H . . . 43 . HA . . . . . 44 . HN . . rr_1awx 1 217 1 . . 1 1 43 43 TRP HB3 H . . . 1 1 44 44 TRP H H . . . . . 3.5 0.0 3.5 . . . . . A . 43 TRP HB3 . . A . 44 TRP H . . . 43 . HB1 . . . . . 44 . HN . . rr_1awx 1 218 1 . . 1 1 58 58 SER H H . . . 1 1 43 43 TRP HA H . . . . . 5.0 0.0 5.0 . . . . . A . 58 SER H . . A . 43 TRP HA . . . 58 . HN . . . . . 43 . HA . . rr_1awx 1 219 1 . . 1 1 44 44 TRP H H . . . 1 1 44 44 TRP HA H . . . . . 3.5 0.0 3.5 . . . . . A . 44 TRP H . . A . 44 TRP HA . . . 44 . HN . . . . . 44 . HA . . rr_1awx 1 220 1 . . 1 1 44 44 TRP H H . . . 1 1 44 44 TRP HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 44 TRP H . . A . 44 TRP HB3 . . . 44 . HN . . . . . 44 . HB1 . . rr_1awx 1 221 1 . . 1 1 44 44 TRP H H . . . 1 1 44 44 TRP HD1 H . . . . . 5.0 0.0 5.0 . . . . . A . 44 TRP H . . A . 44 TRP HD1 . . . 44 . HN . . . . . 44 . HD1 . . rr_1awx 1 222 1 . . 1 1 45 45 ARG H H . . . 1 1 44 44 TRP HA H . . . . . 2.8 0.0 2.8 . . . . . A . 45 ARG H . . A . 44 TRP HA . . . 45 . HN . . . . . 44 . HA . . rr_1awx 1 223 1 . . 1 1 45 45 ARG H H . . . 1 1 44 44 TRP HB3 H . . . . . 2.8 0.0 2.8 . . . . . A . 45 ARG H . . A . 44 TRP HB3 . . . 45 . HN . . . . . 44 . HB1 . . rr_1awx 1 224 1 . . 1 1 44 44 TRP H H . . . 1 1 56 56 ILE HB H . . . . . 3.5 0.0 3.5 . . . . . A . 44 TRP H . . A . 56 ILE HB . . . 44 . HN . . . . . 56 . HB . . rr_1awx 1 225 1 . . 1 1 44 44 TRP H H . . . 1 1 57 57 PRO HA H . . . . . 5.0 0.0 5.0 . . . . . A . 44 TRP H . . A . 57 PRO HA . . . 44 . HN . . . . . 57 . HA . . rr_1awx 1 226 1 . . 1 1 58 58 SER H H . . . 1 1 44 44 TRP H H . . . . . 5.0 0.0 5.0 . . . . . A . 58 SER H . . A . 44 TRP H . . . 58 . HN . . . . . 44 . HN . . rr_1awx 1 227 1 OR . 1 1 44 44 TRP HE1 H . . . 1 1 58 58 SER HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 44 TRP HE1 . . A . 58 SER HB2 . . . 44 . HE1 . . . . . 58 . HB# . . rr_1awx 1 227 2 OR . 1 1 44 44 TRP HE1 H . . . 1 1 58 58 SER HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 44 TRP HE1 . . A . 58 SER HB3 . . . 44 . HE1 . . . . . 58 . HB# . . rr_1awx 1 228 1 . . 1 1 45 45 ARG H H . . . 1 1 45 45 ARG HA H . . . . . 3.5 0.0 3.5 . . . . . A . 45 ARG H . . A . 45 ARG HA . . . 45 . HN . . . . . 45 . HA . . rr_1awx 1 229 1 OR . 1 1 45 45 ARG H H . . . 1 1 45 45 ARG HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 45 ARG H . . A . 45 ARG HB2 . . . 45 . HN . . . . . 45 . HB# . . rr_1awx 1 229 2 OR . 1 1 45 45 ARG H H . . . 1 1 45 45 ARG HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 45 ARG H . . A . 45 ARG HB3 . . . 45 . HN . . . . . 45 . HB# . . rr_1awx 1 230 1 OR . 1 1 45 45 ARG H H . . . 1 1 45 45 ARG HD2 H . . . . . 5.0 0.0 5.7 . . . . . A . 45 ARG H . . A . 45 ARG HD2 . . . 45 . HN . . . . . 45 . HD# . . rr_1awx 1 230 2 OR . 1 1 45 45 ARG H H . . . 1 1 45 45 ARG HD3 H . . . . . 5.0 0.0 5.7 . . . . . A . 45 ARG H . . A . 45 ARG HD3 . . . 45 . HN . . . . . 45 . HD# . . rr_1awx 1 231 1 . . 1 1 46 46 ALA H H . . . 1 1 45 45 ARG HA H . . . . . 2.8 0.0 2.8 . . . . . A . 46 ALA H . . A . 45 ARG HA . . . 46 . HN . . . . . 45 . HA . . rr_1awx 1 232 1 OR . 1 1 46 46 ALA H H . . . 1 1 45 45 ARG HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 46 ALA H . . A . 45 ARG HB2 . . . 46 . HN . . . . . 45 . HB# . . rr_1awx 1 232 2 OR . 1 1 46 46 ALA H H . . . 1 1 45 45 ARG HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 46 ALA H . . A . 45 ARG HB3 . . . 46 . HN . . . . . 45 . HB# . . rr_1awx 1 233 1 OR . 1 1 46 46 ALA H H . . . 1 1 45 45 ARG HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 46 ALA H . . A . 45 ARG HG2 . . . 46 . HN . . . . . 45 . HG# . . rr_1awx 1 233 2 OR . 1 1 46 46 ALA H H . . . 1 1 45 45 ARG HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 46 ALA H . . A . 45 ARG HG3 . . . 46 . HN . . . . . 45 . HG# . . rr_1awx 1 234 1 . . 1 1 54 54 GLY H H . . . 1 1 45 45 ARG HA H . . . . . 5.0 0.0 5.0 . . . . . A . 54 GLY H . . A . 45 ARG HA . . . 54 . HN . . . . . 45 . HA . . rr_1awx 1 235 1 . . 1 1 45 45 ARG HA H . . . 1 1 56 56 ILE H H . . . . . 5.0 0.0 5.0 . . . . . A . 45 ARG HA . . A . 56 ILE H . . . 45 . HA . . . . . 56 . HN . . rr_1awx 1 236 1 . . 1 1 46 46 ALA H H . . . 1 1 46 46 ALA HA H . . . . . 3.5 0.0 3.5 . . . . . A . 46 ALA H . . A . 46 ALA HA . . . 46 . HN . . . . . 46 . HA . . rr_1awx 1 237 1 . . 1 1 46 46 ALA H H . . . 1 1 46 46 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 46 ALA H . . A . 46 ALA MB . . . 46 . HN . . . . . 46 . HB# . . rr_1awx 1 238 1 . . 1 1 47 47 ARG H H . . . 1 1 46 46 ALA HA H . . . . . 2.8 0.0 2.8 . . . . . A . 47 ARG H . . A . 46 ALA HA . . . 47 . HN . . . . . 46 . HA . . rr_1awx 1 239 1 . . 1 1 46 46 ALA MB H . . . 1 1 47 47 ARG H H . . . . . 3.5 0.0 3.9 . . . . . A . 46 ALA MB . . A . 47 ARG H . . . 46 . HB# . . . . . 47 . HN . . rr_1awx 1 240 1 . . 1 1 46 46 ALA H H . . . 1 1 54 54 GLY H H . . . . . 3.5 0.0 3.5 . . . . . A . 46 ALA H . . A . 54 GLY H . . . 46 . HN . . . . . 54 . HN . . rr_1awx 1 241 1 . . 1 1 54 54 GLY H H . . . 1 1 46 46 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 54 GLY H . . A . 46 ALA MB . . . 54 . HN . . . . . 46 . HB# . . rr_1awx 1 242 1 . . 1 1 46 46 ALA H H . . . 1 1 55 55 TYR HA H . . . . . 5.0 0.0 5.0 . . . . . A . 46 ALA H . . A . 55 TYR HA . . . 46 . HN . . . . . 55 . HA . . rr_1awx 1 243 1 . . 1 1 46 46 ALA H H . . . 1 1 56 56 ILE MD H . . . . . 5.0 0.0 5.4 . . . . . A . 46 ALA H . . A . 56 ILE MD . . . 46 . HN . . . . . 56 . HD1# . . rr_1awx 1 244 1 . . 1 1 47 47 ARG H H . . . 1 1 47 47 ARG HA H . . . . . 3.5 0.0 3.5 . . . . . A . 47 ARG H . . A . 47 ARG HA . . . 47 . HN . . . . . 47 . HA . . rr_1awx 1 245 1 OR . 1 1 47 47 ARG H H . . . 1 1 47 47 ARG HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG H . . A . 47 ARG HG2 . . . 47 . HN . . . . . 47 . HG# . . rr_1awx 1 245 2 OR . 1 1 47 47 ARG H H . . . 1 1 47 47 ARG HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG H . . A . 47 ARG HG3 . . . 47 . HN . . . . . 47 . HG# . . rr_1awx 1 246 1 OR . 1 1 47 47 ARG HE H . . . 1 1 47 47 ARG HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG HE . . A . 47 ARG HG2 . . . 47 . HE . . . . . 47 . HG# . . rr_1awx 1 246 2 OR . 1 1 47 47 ARG HG3 H . . . 1 1 47 47 ARG HE H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG HG3 . . A . 47 ARG HE . . . 47 . HG# . . . . . 47 . HE . . rr_1awx 1 247 1 . . 1 1 47 47 ARG HA H . . . 1 1 48 48 ASP H H . . . . . 2.8 0.0 2.8 . . . . . A . 47 ARG HA . . A . 48 ASP H . . . 47 . HA . . . . . 48 . HN . . rr_1awx 1 248 1 OR . 1 1 48 48 ASP H H . . . 1 1 47 47 ARG HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 48 ASP H . . A . 47 ARG HG2 . . . 48 . HN . . . . . 47 . HG# . . rr_1awx 1 248 2 OR . 1 1 47 47 ARG HG3 H . . . 1 1 48 48 ASP H H . . . . . 3.5 0.0 4.2 . . . . . A . 47 ARG HG3 . . A . 48 ASP H . . . 47 . HG# . . . . . 48 . HN . . rr_1awx 1 249 1 . . 1 1 48 48 ASP HA H . . . 1 1 48 48 ASP H H . . . . . 3.5 0.0 3.5 . . . . . A . 48 ASP HA . . A . 48 ASP H . . . 48 . HA . . . . . 48 . HN . . rr_1awx 1 250 1 . . 1 1 48 48 ASP H H . . . 1 1 48 48 ASP HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 48 ASP H . . A . 48 ASP HB2 . . . 48 . HN . . . . . 48 . HB2 . . rr_1awx 1 251 1 . . 1 1 48 48 ASP HA H . . . 1 1 49 49 LYS H H . . . . . 3.5 0.0 3.5 . . . . . A . 48 ASP HA . . A . 49 LYS H . . . 48 . HA . . . . . 49 . HN . . rr_1awx 1 252 1 . . 1 1 49 49 LYS H H . . . 1 1 48 48 ASP HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 49 LYS H . . A . 48 ASP HB3 . . . 49 . HN . . . . . 48 . HB1 . . rr_1awx 1 253 1 . . 1 1 48 48 ASP HB3 H . . . 1 1 50 50 ASN H H . . . . . 5.0 0.0 5.0 . . . . . A . 48 ASP HB3 . . A . 50 ASN H . . . 48 . HB1 . . . . . 50 . HN . . rr_1awx 1 254 1 . . 1 1 48 48 ASP H H . . . 1 1 52 52 GLN H H . . . . . 5.0 0.0 5.0 . . . . . A . 48 ASP H . . A . 52 GLN H . . . 48 . HN . . . . . 52 . HN . . rr_1awx 1 255 1 . . 1 1 49 49 LYS H H . . . 1 1 49 49 LYS HA H . . . . . 3.5 0.0 3.5 . . . . . A . 49 LYS H . . A . 49 LYS HA . . . 49 . HN . . . . . 49 . HA . . rr_1awx 1 256 1 OR . 1 1 49 49 LYS H H . . . 1 1 49 49 LYS HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 49 LYS H . . A . 49 LYS HG2 . . . 49 . HN . . . . . 49 . HG# . . rr_1awx 1 256 2 OR . 1 1 49 49 LYS H H . . . 1 1 49 49 LYS HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 49 LYS H . . A . 49 LYS HG3 . . . 49 . HN . . . . . 49 . HG# . . rr_1awx 1 257 1 OR . 1 1 49 49 LYS H H . . . 1 1 49 49 LYS HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 49 LYS H . . A . 49 LYS HB2 . . . 49 . HN . . . . . 49 . HB# . . rr_1awx 1 257 2 OR . 1 1 49 49 LYS H H . . . 1 1 49 49 LYS HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 49 LYS H . . A . 49 LYS HB3 . . . 49 . HN . . . . . 49 . HB# . . rr_1awx 1 258 1 . . 1 1 49 49 LYS H H . . . 1 1 50 50 ASN H H . . . . . 5.0 0.0 5.0 . . . . . A . 49 LYS H . . A . 50 ASN H . . . 49 . HN . . . . . 50 . HN . . rr_1awx 1 259 1 . . 1 1 50 50 ASN H H . . . 1 1 49 49 LYS HA H . . . . . 3.5 0.0 3.5 . . . . . A . 50 ASN H . . A . 49 LYS HA . . . 50 . HN . . . . . 49 . HA . . rr_1awx 1 260 1 OR . 1 1 50 50 ASN H H . . . 1 1 49 49 LYS HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 50 ASN H . . A . 49 LYS HG2 . . . 50 . HN . . . . . 49 . HG# . . rr_1awx 1 260 2 OR . 1 1 50 50 ASN H H . . . 1 1 49 49 LYS HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 50 ASN H . . A . 49 LYS HG3 . . . 50 . HN . . . . . 49 . HG# . . rr_1awx 1 261 1 OR . 1 1 50 50 ASN H H . . . 1 1 49 49 LYS HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 50 ASN H . . A . 49 LYS HB2 . . . 50 . HN . . . . . 49 . HB# . . rr_1awx 1 261 2 OR . 1 1 50 50 ASN H H . . . 1 1 49 49 LYS HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 50 ASN H . . A . 49 LYS HB3 . . . 50 . HN . . . . . 49 . HB# . . rr_1awx 1 262 1 . . 1 1 49 49 LYS H H . . . 1 1 51 51 GLY H H . . . . . 5.0 0.0 5.0 . . . . . A . 49 LYS H . . A . 51 GLY H . . . 49 . HN . . . . . 51 . HN . . rr_1awx 1 263 1 . . 1 1 49 49 LYS HA H . . . 1 1 51 51 GLY H H . . . . . 5.0 0.0 5.0 . . . . . A . 49 LYS HA . . A . 51 GLY H . . . 49 . HA . . . . . 51 . HN . . rr_1awx 1 264 1 . . 1 1 50 50 ASN H H . . . 1 1 50 50 ASN HA H . . . . . 2.8 0.0 2.8 . . . . . A . 50 ASN H . . A . 50 ASN HA . . . 50 . HN . . . . . 50 . HA . . rr_1awx 1 265 1 . . 1 1 50 50 ASN H H . . . 1 1 50 50 ASN HB2 H . . . . . 2.8 0.0 2.8 . . . . . A . 50 ASN H . . A . 50 ASN HB2 . . . 50 . HN . . . . . 50 . HB2 . . rr_1awx 1 266 1 . . 1 1 51 51 GLY H H . . . 1 1 50 50 ASN HA H . . . . . 3.5 0.0 3.5 . . . . . A . 51 GLY H . . A . 50 ASN HA . . . 51 . HN . . . . . 50 . HA . . rr_1awx 1 267 1 . . 1 1 51 51 GLY H H . . . 1 1 50 50 ASN HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 51 GLY H . . A . 50 ASN HB3 . . . 51 . HN . . . . . 50 . HB1 . . rr_1awx 1 268 1 . . 1 1 52 52 GLN H H . . . 1 1 50 50 ASN HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 52 GLN H . . A . 50 ASN HB3 . . . 52 . HN . . . . . 50 . HB1 . . rr_1awx 1 269 1 OR . 1 1 51 51 GLY H H . . . 1 1 51 51 GLY HA2 H . . . . . 3.5 0.0 3.5 . . . . . A . 51 GLY H . . A . 51 GLY HA2 . . . 51 . HN . . . . . 51 . HA# . . rr_1awx 1 269 2 OR . 1 1 51 51 GLY H H . . . 1 1 51 51 GLY HA3 H . . . . . 3.5 0.0 3.5 . . . . . A . 51 GLY H . . A . 51 GLY HA3 . . . 51 . HN . . . . . 51 . HA# . . rr_1awx 1 270 1 OR . 1 1 52 52 GLN H H . . . 1 1 51 51 GLY HA2 H . . . . . 5.0 0.0 5.7 . . . . . A . 52 GLN H . . A . 51 GLY HA2 . . . 52 . HN . . . . . 51 . HA# . . rr_1awx 1 270 2 OR . 1 1 52 52 GLN H H . . . 1 1 51 51 GLY HA3 H . . . . . 5.0 0.0 5.7 . . . . . A . 52 GLN H . . A . 51 GLY HA3 . . . 52 . HN . . . . . 51 . HA# . . rr_1awx 1 271 1 . . 1 1 52 52 GLN H H . . . 1 1 52 52 GLN HA H . . . . . 3.5 0.0 3.5 . . . . . A . 52 GLN H . . A . 52 GLN HA . . . 52 . HN . . . . . 52 . HA . . rr_1awx 1 272 1 . . 1 1 52 52 GLN H H . . . 1 1 52 52 GLN HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 52 GLN H . . A . 52 GLN HB3 . . . 52 . HN . . . . . 52 . HB1 . . rr_1awx 1 273 1 OR . 1 1 52 52 GLN H H . . . 1 1 52 52 GLN HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 52 GLN H . . A . 52 GLN HG2 . . . 52 . HN . . . . . 52 . HG# . . rr_1awx 1 273 2 OR . 1 1 52 52 GLN H H . . . 1 1 52 52 GLN HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 52 GLN H . . A . 52 GLN HG3 . . . 52 . HN . . . . . 52 . HG# . . rr_1awx 1 274 1 . . 1 1 52 52 GLN HA H . . . 1 1 53 53 GLU H H . . . . . 2.8 0.0 2.8 . . . . . A . 52 GLN HA . . A . 53 GLU H . . . 52 . HA . . . . . 53 . HN . . rr_1awx 1 275 1 . . 1 1 52 52 GLN HB3 H . . . 1 1 53 53 GLU H H . . . . . 3.5 0.0 3.5 . . . . . A . 52 GLN HB3 . . A . 53 GLU H . . . 52 . HB1 . . . . . 53 . HN . . rr_1awx 1 276 1 OR . 1 1 53 53 GLU H H . . . 1 1 52 52 GLN HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 53 GLU H . . A . 52 GLN HG2 . . . 53 . HN . . . . . 52 . HG# . . rr_1awx 1 276 2 OR . 1 1 52 52 GLN HG3 H . . . 1 1 53 53 GLU H H . . . . . 5.0 0.0 5.7 . . . . . A . 52 GLN HG3 . . A . 53 GLU H . . . 52 . HG# . . . . . 53 . HN . . rr_1awx 1 277 1 . . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 53 GLU H . . A . 53 GLU HA . . . 53 . HN . . . . . 53 . HA . . rr_1awx 1 278 1 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 53 GLU H . . A . 53 GLU HB2 . . . 53 . HN . . . . . 53 . HB# . . rr_1awx 1 278 2 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 53 GLU H . . A . 53 GLU HB3 . . . 53 . HN . . . . . 53 . HB# . . rr_1awx 1 279 1 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 53 GLU H . . A . 53 GLU HG2 . . . 53 . HN . . . . . 53 . HG# . . rr_1awx 1 279 2 OR . 1 1 53 53 GLU H H . . . 1 1 53 53 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 53 GLU H . . A . 53 GLU HG3 . . . 53 . HN . . . . . 53 . HG# . . rr_1awx 1 280 1 . . 1 1 54 54 GLY H H . . . 1 1 53 53 GLU HA H . . . . . 2.8 0.0 2.8 . . . . . A . 54 GLY H . . A . 53 GLU HA . . . 54 . HN . . . . . 53 . HA . . rr_1awx 1 281 1 OR . 1 1 54 54 GLY H H . . . 1 1 53 53 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 54 GLY H . . A . 53 GLU HG2 . . . 54 . HN . . . . . 53 . HG# . . rr_1awx 1 281 2 OR . 1 1 54 54 GLY H H . . . 1 1 53 53 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 54 GLY H . . A . 53 GLU HG3 . . . 54 . HN . . . . . 53 . HG# . . rr_1awx 1 282 1 OR . 1 1 54 54 GLY H H . . . 1 1 53 53 GLU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 54 GLY H . . A . 53 GLU HB2 . . . 54 . HN . . . . . 53 . HB# . . rr_1awx 1 282 2 OR . 1 1 54 54 GLY H H . . . 1 1 53 53 GLU HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 54 GLY H . . A . 53 GLU HB3 . . . 54 . HN . . . . . 53 . HB# . . rr_1awx 1 283 1 OR . 1 1 54 54 GLY H H . . . 1 1 54 54 GLY HA2 H . . . . . 3.5 0.0 4.2 . . . . . A . 54 GLY H . . A . 54 GLY HA2 . . . 54 . HN . . . . . 54 . HA# . . rr_1awx 1 283 2 OR . 1 1 54 54 GLY HA3 H . . . 1 1 54 54 GLY H H . . . . . 3.5 0.0 4.2 . . . . . A . 54 GLY HA3 . . A . 54 GLY H . . . 54 . HA# . . . . . 54 . HN . . rr_1awx 1 284 1 OR . 1 1 55 55 TYR H H . . . 1 1 54 54 GLY HA2 H . . . . . 3.5 0.0 4.2 . . . . . A . 55 TYR H . . A . 54 GLY HA2 . . . 55 . HN . . . . . 54 . HA# . . rr_1awx 1 284 2 OR . 1 1 54 54 GLY HA3 H . . . 1 1 55 55 TYR H H . . . . . 3.5 0.0 4.2 . . . . . A . 54 GLY HA3 . . A . 55 TYR H . . . 54 . HA# . . . . . 55 . HN . . rr_1awx 1 285 1 . . 1 1 54 54 GLY H H . . . 1 1 55 55 TYR H H . . . . . 5.0 0.0 5.0 . . . . . A . 54 GLY H . . A . 55 TYR H . . . 54 . HN . . . . . 55 . HN . . rr_1awx 1 286 1 . . 1 1 55 55 TYR HA H . . . 1 1 55 55 TYR H H . . . . . 3.5 0.0 3.5 . . . . . A . 55 TYR HA . . A . 55 TYR H . . . 55 . HA . . . . . 55 . HN . . rr_1awx 1 287 1 . . 1 1 55 55 TYR H H . . . 1 1 55 55 TYR HB2 H . . . . . 2.8 0.0 2.8 . . . . . A . 55 TYR H . . A . 55 TYR HB2 . . . 55 . HN . . . . . 55 . HB2 . . rr_1awx 1 288 1 . . 1 1 55 55 TYR H H . . . 1 1 55 55 TYR QD H . . . . . 5.0 0.0 7.0 . . . . . A . 55 TYR H . . A . 55 TYR QD . . . 55 . HN . . . . . 55 . HD# . . rr_1awx 1 289 1 . . 1 1 56 56 ILE H H . . . 1 1 55 55 TYR HA H . . . . . 2.8 0.0 2.8 . . . . . A . 56 ILE H . . A . 55 TYR HA . . . 56 . HN . . . . . 55 . HA . . rr_1awx 1 290 1 . . 1 1 56 56 ILE H H . . . 1 1 56 56 ILE HA H . . . . . 3.5 0.0 3.5 . . . . . A . 56 ILE H . . A . 56 ILE HA . . . 56 . HN . . . . . 56 . HA . . rr_1awx 1 291 1 . . 1 1 56 56 ILE H H . . . 1 1 56 56 ILE MG H . . . . . 5.0 0.0 5.4 . . . . . A . 56 ILE H . . A . 56 ILE MG . . . 56 . HN . . . . . 56 . HG2# . . rr_1awx 1 292 1 . . 1 1 56 56 ILE H H . . . 1 1 56 56 ILE MD H . . . . . 5.0 0.0 5.4 . . . . . A . 56 ILE H . . A . 56 ILE MD . . . 56 . HN . . . . . 56 . HD1# . . rr_1awx 1 293 1 . . 1 1 58 58 SER H H . . . 1 1 57 57 PRO HA H . . . . . 2.8 0.0 2.8 . . . . . A . 58 SER H . . A . 57 PRO HA . . . 58 . HN . . . . . 57 . HA . . rr_1awx 1 294 1 OR . 1 1 58 58 SER H H . . . 1 1 57 57 PRO HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 58 SER H . . A . 57 PRO HB2 . . . 58 . HN . . . . . 57 . HB# . . rr_1awx 1 294 2 OR . 1 1 58 58 SER H H . . . 1 1 57 57 PRO HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 58 SER H . . A . 57 PRO HB3 . . . 58 . HN . . . . . 57 . HB# . . rr_1awx 1 295 1 OR . 1 1 59 59 ASN H H . . . 1 1 57 57 PRO HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 59 ASN H . . A . 57 PRO HB2 . . . 59 . HN . . . . . 57 . HB# . . rr_1awx 1 295 2 OR . 1 1 57 57 PRO HB3 H . . . 1 1 59 59 ASN H H . . . . . 5.0 0.0 5.7 . . . . . A . 57 PRO HB3 . . A . 59 ASN H . . . 57 . HB# . . . . . 59 . HN . . rr_1awx 1 296 1 OR . 1 1 60 60 TYR H H . . . 1 1 57 57 PRO HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 60 TYR H . . A . 57 PRO HB2 . . . 60 . HN . . . . . 57 . HB# . . rr_1awx 1 296 2 OR . 1 1 57 57 PRO HB3 H . . . 1 1 60 60 TYR H H . . . . . 5.0 0.0 5.7 . . . . . A . 57 PRO HB3 . . A . 60 TYR H . . . 57 . HB# . . . . . 60 . HN . . rr_1awx 1 297 1 . . 1 1 58 58 SER H H . . . 1 1 58 58 SER HA H . . . . . 3.5 0.0 3.5 . . . . . A . 58 SER H . . A . 58 SER HA . . . 58 . HN . . . . . 58 . HA . . rr_1awx 1 298 1 OR . 1 1 58 58 SER H H . . . 1 1 58 58 SER HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 58 SER H . . A . 58 SER HB2 . . . 58 . HN . . . . . 58 . HB# . . rr_1awx 1 298 2 OR . 1 1 58 58 SER H H . . . 1 1 58 58 SER HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 58 SER H . . A . 58 SER HB3 . . . 58 . HN . . . . . 58 . HB# . . rr_1awx 1 299 1 . . 1 1 59 59 ASN H H . . . 1 1 58 58 SER HA H . . . . . 5.0 0.0 5.0 . . . . . A . 59 ASN H . . A . 58 SER HA . . . 59 . HN . . . . . 58 . HA . . rr_1awx 1 300 1 . . 1 1 60 60 TYR H H . . . 1 1 58 58 SER HA H . . . . . 5.0 0.0 5.0 . . . . . A . 60 TYR H . . A . 58 SER HA . . . 60 . HN . . . . . 58 . HA . . rr_1awx 1 301 1 . . 1 1 59 59 ASN H H . . . 1 1 59 59 ASN HA H . . . . . 3.5 0.0 3.5 . . . . . A . 59 ASN H . . A . 59 ASN HA . . . 59 . HN . . . . . 59 . HA . . rr_1awx 1 302 1 . . 1 1 59 59 ASN H H . . . 1 1 59 59 ASN HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 59 ASN H . . A . 59 ASN HB2 . . . 59 . HN . . . . . 59 . HB2 . . rr_1awx 1 303 1 . . 1 1 59 59 ASN H H . . . 1 1 60 60 TYR H H . . . . . 3.5 0.0 3.5 . . . . . A . 59 ASN H . . A . 60 TYR H . . . 59 . HN . . . . . 60 . HN . . rr_1awx 1 304 1 . . 1 1 60 60 TYR H H . . . 1 1 59 59 ASN HA H . . . . . 5.0 0.0 5.0 . . . . . A . 60 TYR H . . A . 59 ASN HA . . . 60 . HN . . . . . 59 . HA . . rr_1awx 1 305 1 . . 1 1 60 60 TYR H H . . . 1 1 59 59 ASN HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 60 TYR H . . A . 59 ASN HB3 . . . 60 . HN . . . . . 59 . HB1 . . rr_1awx 1 306 1 . . 1 1 61 61 VAL H H . . . 1 1 59 59 ASN HA H . . . . . 5.0 0.0 5.0 . . . . . A . 61 VAL H . . A . 59 ASN HA . . . 61 . HN . . . . . 59 . HA . . rr_1awx 1 307 1 . . 1 1 60 60 TYR H H . . . 1 1 60 60 TYR HA H . . . . . 3.5 0.0 3.5 . . . . . A . 60 TYR H . . A . 60 TYR HA . . . 60 . HN . . . . . 60 . HA . . rr_1awx 1 308 1 . . 1 1 60 60 TYR H H . . . 1 1 60 60 TYR HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 60 TYR H . . A . 60 TYR HB3 . . . 60 . HN . . . . . 60 . HB1 . . rr_1awx 1 309 1 OR . 1 1 60 60 TYR H H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 60 TYR H . . A . 61 VAL MG1 . . . 60 . HN . . . . . 61 . HG# . . rr_1awx 1 309 2 OR . 1 1 60 60 TYR H H . . . 1 1 61 61 VAL MG2 H . . . . . 5.0 0.0 6.5 . . . . . A . 60 TYR H . . A . 61 VAL MG2 . . . 60 . HN . . . . . 61 . HG# . . rr_1awx 1 310 1 . . 1 1 61 61 VAL H H . . . 1 1 60 60 TYR HA H . . . . . 5.0 0.0 5.0 . . . . . A . 61 VAL H . . A . 60 TYR HA . . . 61 . HN . . . . . 60 . HA . . rr_1awx 1 311 1 . . 1 1 61 61 VAL H H . . . 1 1 60 60 TYR HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 61 VAL H . . A . 60 TYR HB2 . . . 61 . HN . . . . . 60 . HB2 . . rr_1awx 1 312 1 . . 1 1 61 61 VAL H H . . . 1 1 61 61 VAL HB H . . . . . 5.0 0.0 5.0 . . . . . A . 61 VAL H . . A . 61 VAL HB . . . 61 . HN . . . . . 61 . HB . . rr_1awx 1 313 1 OR . 1 1 61 61 VAL H H . . . 1 1 61 61 VAL MG1 H . . . . . 3.5 0.0 5.0 . . . . . A . 61 VAL H . . A . 61 VAL MG1 . . . 61 . HN . . . . . 61 . HG# . . rr_1awx 1 313 2 OR . 1 1 61 61 VAL H H . . . 1 1 61 61 VAL MG2 H . . . . . 3.5 0.0 5.0 . . . . . A . 61 VAL H . . A . 61 VAL MG2 . . . 61 . HN . . . . . 61 . HG# . . rr_1awx 1 314 1 . . 1 1 62 62 THR H H . . . 1 1 61 61 VAL H H . . . . . 5.0 0.0 5.0 . . . . . A . 62 THR H . . A . 61 VAL H . . . 62 . HN . . . . . 61 . HN . . rr_1awx 1 315 1 . . 1 1 62 62 THR H H . . . 1 1 61 61 VAL HA H . . . . . 2.8 0.0 2.8 . . . . . A . 62 THR H . . A . 61 VAL HA . . . 62 . HN . . . . . 61 . HA . . rr_1awx 1 316 1 . . 1 1 62 62 THR H H . . . 1 1 61 61 VAL HB H . . . . . 3.5 0.0 3.5 . . . . . A . 62 THR H . . A . 61 VAL HB . . . 62 . HN . . . . . 61 . HB . . rr_1awx 1 317 1 OR . 1 1 62 62 THR H H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 62 THR H . . A . 61 VAL MG1 . . . 62 . HN . . . . . 61 . HG# . . rr_1awx 1 317 2 OR . 1 1 62 62 THR H H . . . 1 1 61 61 VAL MG2 H . . . . . 5.0 0.0 6.5 . . . . . A . 62 THR H . . A . 61 VAL MG2 . . . 62 . HN . . . . . 61 . HG# . . rr_1awx 1 318 1 . . 1 1 62 62 THR H H . . . 1 1 62 62 THR HB H . . . . . 5.0 0.0 5.0 . . . . . A . 62 THR H . . A . 62 THR HB . . . 62 . HN . . . . . 62 . HB . . rr_1awx 1 319 1 . . 1 1 62 62 THR H H . . . 1 1 62 62 THR MG H . . . . . 3.5 0.0 3.9 . . . . . A . 62 THR H . . A . 62 THR MG . . . 62 . HN . . . . . 62 . HG2# . . rr_1awx 1 320 1 . . 1 1 62 62 THR HA H . . . 1 1 63 63 GLU H H . . . . . 5.0 0.0 5.0 . . . . . A . 62 THR HA . . A . 63 GLU H . . . 62 . HA . . . . . 63 . HN . . rr_1awx 1 321 1 . . 1 1 62 62 THR HB H . . . 1 1 63 63 GLU H H . . . . . 5.0 0.0 5.0 . . . . . A . 62 THR HB . . A . 63 GLU H . . . 62 . HB . . . . . 63 . HN . . rr_1awx 1 322 1 . . 1 1 62 62 THR MG H . . . 1 1 63 63 GLU H H . . . . . 5.0 0.0 5.4 . . . . . A . 62 THR MG . . A . 63 GLU H . . . 62 . HG2# . . . . . 63 . HN . . rr_1awx 1 323 1 . . 1 1 63 63 GLU H H . . . 1 1 63 63 GLU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 63 GLU H . . A . 63 GLU HA . . . 63 . HN . . . . . 63 . HA . . rr_1awx 1 324 1 OR . 1 1 63 63 GLU H H . . . 1 1 63 63 GLU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 63 GLU H . . A . 63 GLU HB2 . . . 63 . HN . . . . . 63 . HB# . . rr_1awx 1 324 2 OR . 1 1 63 63 GLU H H . . . 1 1 63 63 GLU HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 63 GLU H . . A . 63 GLU HB3 . . . 63 . HN . . . . . 63 . HB# . . rr_1awx 1 325 1 OR . 1 1 63 63 GLU H H . . . 1 1 63 63 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 63 GLU H . . A . 63 GLU HG2 . . . 63 . HN . . . . . 63 . HG# . . rr_1awx 1 325 2 OR . 1 1 63 63 GLU H H . . . 1 1 63 63 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 63 GLU H . . A . 63 GLU HG3 . . . 63 . HN . . . . . 63 . HG# . . rr_1awx 1 326 1 . . 1 1 64 64 ALA H H . . . 1 1 63 63 GLU HA H . . . . . 5.0 0.0 5.0 . . . . . A . 64 ALA H . . A . 63 GLU HA . . . 64 . HN . . . . . 63 . HA . . rr_1awx 1 327 1 OR . 1 1 64 64 ALA H H . . . 1 1 63 63 GLU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 64 ALA H . . A . 63 GLU HB2 . . . 64 . HN . . . . . 63 . HB# . . rr_1awx 1 327 2 OR . 1 1 64 64 ALA H H . . . 1 1 63 63 GLU HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 64 ALA H . . A . 63 GLU HB3 . . . 64 . HN . . . . . 63 . HB# . . rr_1awx 1 328 1 OR . 1 1 64 64 ALA H H . . . 1 1 63 63 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 64 ALA H . . A . 63 GLU HG2 . . . 64 . HN . . . . . 63 . HG# . . rr_1awx 1 328 2 OR . 1 1 64 64 ALA H H . . . 1 1 63 63 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 64 ALA H . . A . 63 GLU HG3 . . . 64 . HN . . . . . 63 . HG# . . rr_1awx 1 329 1 . . 1 1 64 64 ALA H H . . . 1 1 64 64 ALA HA H . . . . . 5.0 0.0 5.0 . . . . . A . 64 ALA H . . A . 64 ALA HA . . . 64 . HN . . . . . 64 . HA . . rr_1awx 1 330 1 . . 1 1 64 64 ALA H H . . . 1 1 64 64 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 64 ALA H . . A . 64 ALA MB . . . 64 . HN . . . . . 64 . HB# . . rr_1awx 1 331 1 . . 1 1 64 64 ALA HA H . . . 1 1 65 65 GLU H H . . . . . 5.0 0.0 5.0 . . . . . A . 64 ALA HA . . A . 65 GLU H . . . 64 . HA . . . . . 65 . HN . . rr_1awx 1 332 1 . . 1 1 64 64 ALA MB H . . . 1 1 65 65 GLU H H . . . . . 5.0 0.0 5.4 . . . . . A . 64 ALA MB . . A . 65 GLU H . . . 64 . HB# . . . . . 65 . HN . . rr_1awx 1 333 1 . . 1 1 65 65 GLU H H . . . 1 1 65 65 GLU HA H . . . . . 5.0 0.0 5.0 . . . . . A . 65 GLU H . . A . 65 GLU HA . . . 65 . HN . . . . . 65 . HA . . rr_1awx 1 334 1 . . 1 1 65 65 GLU H H . . . 1 1 65 65 GLU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 65 GLU H . . A . 65 GLU HB2 . . . 65 . HN . . . . . 65 . HB2 . . rr_1awx 1 335 1 OR . 1 1 65 65 GLU H H . . . 1 1 65 65 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 65 GLU H . . A . 65 GLU HG2 . . . 65 . HN . . . . . 65 . HG# . . rr_1awx 1 335 2 OR . 1 1 65 65 GLU H H . . . 1 1 65 65 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 65 GLU H . . A . 65 GLU HG3 . . . 65 . HN . . . . . 65 . HG# . . rr_1awx 1 336 1 . . 1 1 35 35 ILE H H . . . 1 1 10 10 LYS HA H . . . . . 5.0 0.0 5.0 . . . . . A . 35 ILE H . . A . 10 LYS HA . . . 35 . HN . . . . . 10 . HA . . rr_1awx 1 337 1 OR . 1 1 34 34 PHE H H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 34 PHE H . . A . 11 VAL MG1 . . . 34 . HN . . . . . 11 . HG# . . rr_1awx 1 337 2 OR . 1 1 11 11 VAL MG2 H . . . 1 1 34 34 PHE H H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL MG2 . . A . 34 PHE H . . . 11 . HG# . . . . . 34 . HN . . rr_1awx 1 338 1 OR . 1 1 63 63 GLU H H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 63 GLU H . . A . 11 VAL MG1 . . . 63 . HN . . . . . 11 . HG# . . rr_1awx 1 338 2 OR . 1 1 11 11 VAL MG2 H . . . 1 1 63 63 GLU H H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL MG2 . . A . 63 GLU H . . . 11 . HG# . . . . . 63 . HN . . rr_1awx 1 339 1 . . 1 1 12 12 VAL MG1 H . . . 1 1 30 30 GLY H H . . . . . 5.0 0.0 5.4 . . . . . A . 12 VAL MG1 . . A . 30 GLY H . . . 12 . HG1# . . . . . 30 . HN . . rr_1awx 1 340 1 . . 1 1 12 12 VAL H H . . . 1 1 61 61 VAL HA H . . . . . 5.0 0.0 5.0 . . . . . A . 12 VAL H . . A . 61 VAL HA . . . 12 . HN . . . . . 61 . HA . . rr_1awx 1 341 1 . . 1 1 12 12 VAL H H . . . 1 1 62 62 THR MG H . . . . . 5.0 0.0 5.4 . . . . . A . 12 VAL H . . A . 62 THR MG . . . 12 . HN . . . . . 62 . HG2# . . rr_1awx 1 342 1 . . 1 1 30 30 GLY H H . . . 1 1 13 13 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 30 GLY H . . A . 13 ALA MB . . . 30 . HN . . . . . 13 . HB# . . rr_1awx 1 343 1 . . 1 1 13 13 ALA H H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 7.0 . . . . . A . 13 ALA H . . A . 33 TYR QE . . . 13 . HN . . . . . 33 . HE# . . rr_1awx 1 344 1 . . 1 1 24 24 ASP HA H . . . 1 1 55 55 TYR H H . . . . . 2.8 0.0 2.8 . . . . . A . 24 ASP HA . . A . 55 TYR H . . . 24 . HA . . . . . 55 . HN . . rr_1awx 1 345 1 OR . 1 1 46 46 ALA H H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 46 ALA H . . A . 25 LEU MD1 . . . 46 . HN . . . . . 25 . HD# . . rr_1awx 1 345 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 46 46 ALA H H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 46 ALA H . . . 25 . HD# . . . . . 46 . HN . . rr_1awx 1 346 1 OR . 1 1 47 47 ARG H H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 47 ARG H . . A . 25 LEU MD1 . . . 47 . HN . . . . . 25 . HD# . . rr_1awx 1 346 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 47 47 ARG H H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 47 ARG H . . . 25 . HD# . . . . . 47 . HN . . rr_1awx 1 347 1 OR . 1 1 48 48 ASP H H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 48 ASP H . . A . 25 LEU MD1 . . . 48 . HN . . . . . 25 . HD# . . rr_1awx 1 347 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 48 48 ASP H H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 48 ASP H . . . 25 . HD# . . . . . 48 . HN . . rr_1awx 1 348 1 OR . 1 1 53 53 GLU H H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 53 GLU H . . A . 25 LEU MD1 . . . 53 . HN . . . . . 25 . HD# . . rr_1awx 1 348 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 53 53 GLU H H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 53 GLU H . . . 25 . HD# . . . . . 53 . HN . . rr_1awx 1 349 1 . . 1 1 28 28 ARG H H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 7.0 . . . . . A . 28 ARG H . . A . 33 TYR QE . . . 28 . HN . . . . . 33 . HE# . . rr_1awx 1 350 1 . . 1 1 13 13 ALA MB H . . . 1 1 31 31 ASP H H . . . . . 5.0 0.0 5.4 . . . . . A . 13 ALA MB . . A . 31 ASP H . . . 13 . HB# . . . . . 31 . HN . . rr_1awx 1 351 1 . . 1 1 31 31 ASP H H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 7.0 . . . . . A . 31 ASP H . . A . 33 TYR QE . . . 31 . HN . . . . . 33 . HE# . . rr_1awx 1 352 1 . . 1 1 35 35 ILE MD H . . . 1 1 37 37 GLU H H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE MD . . A . 37 GLU H . . . 35 . HD1# . . . . . 37 . HN . . rr_1awx 1 353 1 . . 1 1 46 46 ALA MB H . . . 1 1 36 36 LEU H H . . . . . 5.0 0.0 5.4 . . . . . A . 46 ALA MB . . A . 36 LEU H . . . 46 . HB# . . . . . 36 . HN . . rr_1awx 1 354 1 . . 1 1 61 61 VAL H H . . . 1 1 60 60 TYR H H . . . . . 3.5 0.0 3.5 . . . . . A . 61 VAL H . . A . 60 TYR H . . . 61 . HN . . . . . 60 . HN . . rr_1awx 1 355 1 OR . 1 1 66 66 ASP H H . . . 1 1 66 66 ASP HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 66 ASP H . . A . 66 ASP HB2 . . . 66 . HN . . . . . 66 . HB# . . rr_1awx 1 355 2 OR . 1 1 66 66 ASP H H . . . 1 1 66 66 ASP HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 66 ASP H . . A . 66 ASP HB3 . . . 66 . HN . . . . . 66 . HB# . . rr_1awx 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 ; ANSIG v3.2 XPLOR NOE restraints file Pseudo atom corrections according to Fletcher et al., J.Biomol.NMR, 8:292-310(1996) Restraints derived from 15N-Noesy 3D-spectra (75ms mixingtime) residue 5 Thr , intraresidue NOEs ; 2 1 9 39 rr_1awx 1 2 'residue 5 Thr , NOEs forward in sequence' 12 1 12 46 rr_1awx 1 3 'residue 6 Ser , intraresidue NOEs' 15 1 15 39 rr_1awx 1 4 'residue 6 Ser , NOEs forward in sequence' 18 1 18 46 rr_1awx 1 5 'residue 7 Glu , intraresidue NOEs' 22 1 22 39 rr_1awx 1 6 'residue 7 Glu , NOEs forward in sequence' 27 1 27 46 rr_1awx 1 7 'residue 8 Leu , intraresidue NOEs' 32 1 32 39 rr_1awx 1 8 'residue 8 Leu , NOEs forward in sequence' 37 1 37 46 rr_1awx 1 9 'residue 9 Lys , intraresidue NOEs' 42 1 42 39 rr_1awx 1 10 'residue 9 Lys , NOEs forward in sequence' 46 1 46 46 rr_1awx 1 11 'residue 10 Lys , intraresidue NOEs' 52 1 52 39 rr_1awx 1 12 'residue 10 Lys , NOEs forward in sequence' 57 1 57 46 rr_1awx 1 13 ; assi (resi 10 and name HB# ) (resi 35 and name HN ) 5.00 5.00 0.70 residue 11 Val , intraresidue NOEs ; 62 1 64 39 rr_1awx 1 14 'residue 11 Val , NOEs forward in sequence' 68 1 68 46 rr_1awx 1 15 'residue 12 Val , intraresidue NOEs' 78 1 78 39 rr_1awx 1 16 'residue 12 Val , NOEs forward in sequence' 82 1 82 46 rr_1awx 1 17 'residue 13 Ala , intraresidue NOEs' 90 1 90 39 rr_1awx 1 18 'residue 13 Ala , NOEs forward in sequence' 94 1 94 46 rr_1awx 1 19 'residue 14 Leu , intraresidue NOEs' 98 1 98 39 rr_1awx 1 20 'residue 14 Leu , NOEs forward in sequence' 104 1 104 46 rr_1awx 1 21 'residue 15 Tyr , intraresidue NOEs' 112 1 112 39 rr_1awx 1 22 'residue 15 Tyr , NOEs forward in sequence' 115 1 115 46 rr_1awx 1 23 'residue 16 Asp , intraresidue NOEs' 120 1 120 39 rr_1awx 1 24 'residue 16 Asp , NOEs forward in sequence' 124 1 124 46 rr_1awx 1 25 ; residue 17 Tyr , intraresidue NOEs residue 17 Tyr , NOEs forward in sequence ; 128 1 130 46 rr_1awx 1 26 'residue 18 Met , intraresidue NOEs' 136 1 136 39 rr_1awx 1 27 ; residue 18 Met , NOEs forward in sequence residue 19 Pro , intraresidue NOEs residue 19 Pro , NOEs forward in sequence ; 140 1 144 46 rr_1awx 1 28 'residue 20 Met , intraresidue NOEs' 151 1 151 39 rr_1awx 1 29 'residue 20 Met , NOEs forward in sequence' 155 1 155 46 rr_1awx 1 30 'residue 21 Asn , intraresidue NOEs' 159 1 159 39 rr_1awx 1 31 'residue 21 Asn , NOEs forward in sequence' 163 1 163 46 rr_1awx 1 32 'residue 22 Ala , intraresidue NOEs' 170 1 170 39 rr_1awx 1 33 'residue 22 Ala , NOEs forward in sequence' 173 1 173 46 rr_1awx 1 34 'residue 23 Asn , intraresidue NOEs' 178 1 178 39 rr_1awx 1 35 'residue 23 Asn , NOEs forward in sequence' 182 1 182 46 rr_1awx 1 36 'residue 24 Asp , intraresidue NOEs' 185 1 185 39 rr_1awx 1 37 'residue 24 Asp , NOEs forward in sequence' 189 1 189 46 rr_1awx 1 38 'residue 25 Leu , intraresidue NOEs' 194 1 194 39 rr_1awx 1 39 'residue 25 Leu , NOEs forward in sequence' 199 1 199 46 rr_1awx 1 40 'residue 26 Gln , intraresidue NOEs' 208 1 208 39 rr_1awx 1 41 'residue 26 Gln , NOEs forward in sequence' 214 1 214 46 rr_1awx 1 42 'residue 27 Leu , intraresidue NOEs' 218 1 218 39 rr_1awx 1 43 'residue 27 Leu , NOEs forward in sequence' 224 1 224 46 rr_1awx 1 44 'residue 28 Arg , intraresidue NOEs' 230 1 230 39 rr_1awx 1 45 'residue 28 Arg , NOEs forward in sequence' 235 1 235 46 rr_1awx 1 46 'residue 29 Lys , intraresidue NOEs' 240 1 240 39 rr_1awx 1 47 'residue 29 Lys , NOEs forward in sequence' 245 1 245 46 rr_1awx 1 48 'residue 30 Gly , intraresidue NOEs' 251 1 251 39 rr_1awx 1 49 'residue 30 Gly , NOEs forward in sequence' 254 1 254 46 rr_1awx 1 50 'residue 31 Asp , intraresidue NOEs' 258 1 258 39 rr_1awx 1 51 'residue 31 Asp , NOEs forward in sequence' 262 1 262 46 rr_1awx 1 52 'residue 32 Glu , intraresidue NOEs' 266 1 266 39 rr_1awx 1 53 'residue 32 Glu , NOEs forward in sequence' 270 1 270 46 rr_1awx 1 54 'residue 33 Tyr , intraresidue NOEs' 275 1 275 39 rr_1awx 1 55 'residue 33 Tyr , NOEs forward in sequence' 279 1 279 46 rr_1awx 1 56 'residue 34 Phe , intraresidue NOEs' 284 1 284 39 rr_1awx 1 57 'residue 34 Phe , NOEs forward in sequence' 289 1 289 46 rr_1awx 1 58 'residue 35 Ile , intraresidue NOEs' 296 1 296 39 rr_1awx 1 59 'residue 35 Ile , NOEs forward in sequence' 302 1 302 46 rr_1awx 1 60 'residue 36 Leu , intraresidue NOEs' 307 1 307 39 rr_1awx 1 61 'residue 36 Leu , NOEs forward in sequence' 312 1 312 46 rr_1awx 1 62 'residue 37 Glu , intraresidue NOEs' 319 1 319 39 rr_1awx 1 63 'residue 37 Glu , NOEs forward in sequence' 324 1 324 46 rr_1awx 1 64 'residue 38 Glu , intraresidue NOEs' 330 1 330 39 rr_1awx 1 65 'residue 38 Glu , NOEs forward in sequence' 335 1 335 46 rr_1awx 1 66 'residue 39 Ser , intraresidue NOEs' 340 1 340 39 rr_1awx 1 67 'residue 39 Ser , NOEs forward in sequence' 344 1 344 46 rr_1awx 1 68 'residue 40 Asn , intraresidue NOEs' 349 1 349 39 rr_1awx 1 69 'residue 40 Asn , NOEs forward in sequence' 354 1 354 46 rr_1awx 1 70 'residue 41 Leu , intraresidue NOEs' 359 1 359 39 rr_1awx 1 71 ; residue 41 Leu , NOEs forward in sequence residue 42 Pro , intraresidue NOEs residue 42 Pro , NOEs forward in sequence ; 365 1 369 46 rr_1awx 1 72 'residue 43 Trp , intraresidue NOEs' 376 1 376 39 rr_1awx 1 73 'residue 43 Trp , NOEs forward in sequence' 380 1 380 46 rr_1awx 1 74 'residue 44 Trp , intraresidue NOEs' 385 1 385 39 rr_1awx 1 75 'residue 44 Trp , NOEs forward in sequence' 390 1 390 46 rr_1awx 1 76 'residue 45 Arg , intraresidue NOEs' 398 1 398 39 rr_1awx 1 77 'residue 45 Arg , NOEs forward in sequence' 403 1 403 46 rr_1awx 1 78 'residue 46 Ala , intraresidue NOEs' 410 1 410 39 rr_1awx 1 79 'residue 46 Ala , NOEs forward in sequence' 414 1 414 46 rr_1awx 1 80 'residue 47 Arg , intraresidue NOEs' 422 1 422 39 rr_1awx 1 81 'residue 47 Arg , NOEs forward in sequence' 427 1 427 46 rr_1awx 1 82 'residue 48 Asp , intraresidue NOEs' 431 1 431 39 rr_1awx 1 83 'residue 48 Asp , NOEs forward in sequence' 435 1 435 46 rr_1awx 1 84 'residue 49 Lys , intraresidue NOEs' 441 1 441 39 rr_1awx 1 85 'residue 49 Lys , NOEs forward in sequence' 446 1 446 46 rr_1awx 1 86 'residue 50 Asn , intraresidue NOEs' 454 1 454 39 rr_1awx 1 87 'residue 50 Asn , NOEs forward in sequence' 458 1 458 46 rr_1awx 1 88 'residue 51 Gly , intraresidue NOEs' 463 1 463 39 rr_1awx 1 89 'residue 51 Gly , NOEs forward in sequence' 466 1 466 46 rr_1awx 1 90 'residue 52 Gln , intraresidue NOEs' 469 1 469 39 rr_1awx 1 91 'residue 52 Gln , NOEs forward in sequence' 474 1 474 46 rr_1awx 1 92 'residue 53 Glu , intraresidue NOEs' 479 1 479 39 rr_1awx 1 93 'residue 53 Glu , NOEs forward in sequence' 484 1 484 46 rr_1awx 1 94 'residue 54 Gly , intraresidue NOEs' 489 1 489 39 rr_1awx 1 95 'residue 54 Gly , NOEs forward in sequence' 492 1 492 46 rr_1awx 1 96 'residue 55 Tyr , intraresidue NOEs' 496 1 496 39 rr_1awx 1 97 'residue 55 Tyr , NOEs forward in sequence' 501 1 501 46 rr_1awx 1 98 'residue 56 Ile , intraresidue NOEs' 504 1 504 39 rr_1awx 1 99 ; residue 56 Ile , NOEs forward in sequence residue 57 Pro , intraresidue NOEs residue 57 Pro , NOEs forward in sequence ; 509 1 513 46 rr_1awx 1 100 'residue 58 Ser , intraresidue NOEs' 519 1 519 39 rr_1awx 1 101 'residue 58 Ser , NOEs forward in sequence' 523 1 523 46 rr_1awx 1 102 'residue 59 Asn , intraresidue NOEs' 527 1 527 39 rr_1awx 1 103 'residue 59 Asn , NOEs forward in sequence' 531 1 531 46 rr_1awx 1 104 'residue 60 Tyr , intraresidue NOEs' 537 1 537 39 rr_1awx 1 105 'residue 60 Tyr , NOEs forward in sequence' 541 1 541 46 rr_1awx 1 106 'residue 61 Val , intraresidue NOEs' 546 1 546 39 rr_1awx 1 107 'residue 61 Val , NOEs forward in sequence' 550 1 550 46 rr_1awx 1 108 'residue 62 Thr , intraresidue NOEs' 556 1 556 39 rr_1awx 1 109 'residue 62 Thr , NOEs forward in sequence' 560 1 560 46 rr_1awx 1 110 'residue 63 Glu , intraresidue NOEs' 565 1 565 39 rr_1awx 1 111 'residue 63 Glu , NOEs forward in sequence' 570 1 570 46 rr_1awx 1 112 'residue 64 Ala , intraresidue NOEs' 575 1 575 39 rr_1awx 1 113 'residue 64 Ala , NOEs forward in sequence' 579 1 579 46 rr_1awx 1 114 'residue 65 Glu , intraresidue NOEs' 583 1 583 39 rr_1awx 1 115 'new restraints, 970401' 588 1 588 24 rr_1awx 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_1awx _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 3 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1awx 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 5 5 THR H H . . . 1 1 4 4 SER HA H . . . . . 5.0 0.0 5.0 . . . . . A . 5 THR H . . A . 4 SER HA . . . 5 . HN . . . . . 4 . HA . . rr_1awx 2 2 1 . . 1 1 5 5 THR H H . . . 1 1 5 5 THR HA H . . . . . 3.5 0.0 3.5 . . . . . A . 5 THR H . . A . 5 THR HA . . . 5 . HN . . . . . 5 . HA . . rr_1awx 2 3 1 . . 1 1 5 5 THR H H . . . 1 1 5 5 THR HB H . . . . . 5.0 0.0 5.0 . . . . . A . 5 THR H . . A . 5 THR HB . . . 5 . HN . . . . . 5 . HB . . rr_1awx 2 4 1 . . 1 1 5 5 THR HA H . . . 1 1 5 5 THR HB H . . . . . 3.5 0.0 3.5 . . . . . A . 5 THR HA . . A . 5 THR HB . . . 5 . HA . . . . . 5 . HB . . rr_1awx 2 5 1 . . 1 1 5 5 THR MG H . . . 1 1 5 5 THR HA H . . . . . 5.0 0.0 5.4 . . . . . A . 5 THR MG . . A . 5 THR HA . . . 5 . HG2# . . . . . 5 . HA . . rr_1awx 2 6 1 . . 1 1 5 5 THR MG H . . . 1 1 6 6 SER H H . . . . . 5.0 0.0 5.4 . . . . . A . 5 THR MG . . A . 6 SER H . . . 5 . HG2# . . . . . 6 . HN . . rr_1awx 2 7 1 . . 1 1 6 6 SER H H . . . 1 1 6 6 SER HA H . . . . . 5.0 0.0 5.0 . . . . . A . 6 SER H . . A . 6 SER HA . . . 6 . HN . . . . . 6 . HA . . rr_1awx 2 8 1 OR . 1 1 6 6 SER HA H . . . 1 1 6 6 SER HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 6 SER HA . . A . 6 SER HB2 . . . 6 . HA . . . . . 6 . HB# . . rr_1awx 2 8 2 OR . 1 1 6 6 SER HB3 H . . . 1 1 6 6 SER HA H . . . . . 3.5 0.0 4.2 . . . . . A . 6 SER HB3 . . A . 6 SER HA . . . 6 . HB# . . . . . 6 . HA . . rr_1awx 2 9 1 . . 1 1 7 7 GLU H H . . . 1 1 7 7 GLU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 7 GLU H . . A . 7 GLU HB2 . . . 7 . HN . . . . . 7 . HB2 . . rr_1awx 2 10 1 OR . 1 1 8 8 LEU H H . . . 1 1 7 7 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 8 LEU H . . A . 7 GLU HG2 . . . 8 . HN . . . . . 7 . HG# . . rr_1awx 2 10 2 OR . 1 1 7 7 GLU HG3 H . . . 1 1 8 8 LEU H H . . . . . 5.0 0.0 5.7 . . . . . A . 7 GLU HG3 . . A . 8 LEU H . . . 7 . HG# . . . . . 8 . HN . . rr_1awx 2 11 1 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 8 LEU HA . . A . 8 LEU MD1 . . . 8 . HA . . . . . 8 . HD# . . rr_1awx 2 11 2 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 8 LEU HA . . A . 8 LEU MD2 . . . 8 . HA . . . . . 8 . HD# . . rr_1awx 2 12 1 . . 1 1 8 8 LEU H H . . . 1 1 9 9 LYS H H . . . . . 5.0 0.0 5.0 . . . . . A . 8 LEU H . . A . 9 LYS H . . . 8 . HN . . . . . 9 . HN . . rr_1awx 2 13 1 . . 1 1 8 8 LEU HA H . . . 1 1 9 9 LYS H H . . . . . 2.8 0.0 2.8 . . . . . A . 8 LEU HA . . A . 9 LYS H . . . 8 . HA . . . . . 9 . HN . . rr_1awx 2 14 1 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 9 LYS H . . A . 9 LYS HB2 . . . 9 . HN . . . . . 9 . HB# . . rr_1awx 2 14 2 OR . 1 1 9 9 LYS H H . . . 1 1 9 9 LYS HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 9 LYS H . . A . 9 LYS HB3 . . . 9 . HN . . . . . 9 . HB# . . rr_1awx 2 15 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 9 LYS HA . . A . 9 LYS HB2 . . . 9 . HA . . . . . 9 . HB# . . rr_1awx 2 15 2 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 9 LYS HA . . A . 9 LYS HB3 . . . 9 . HA . . . . . 9 . HB# . . rr_1awx 2 16 1 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 9 LYS HA . . A . 9 LYS HG2 . . . 9 . HA . . . . . 9 . HG# . . rr_1awx 2 16 2 OR . 1 1 9 9 LYS HA H . . . 1 1 9 9 LYS HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 9 LYS HA . . A . 9 LYS HG3 . . . 9 . HA . . . . . 9 . HG# . . rr_1awx 2 17 1 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HE2 H . . . . . 3.5 0.0 4.9 . . . . . A . 9 LYS HB3 . . A . 9 LYS HE2 . . . 9 . HB# . . . . . 9 . HE# . . rr_1awx 2 17 2 OR . 1 1 9 9 LYS HB2 H . . . 1 1 9 9 LYS HE2 H . . . . . 3.5 0.0 4.9 . . . . . A . 9 LYS HB2 . . A . 9 LYS HE2 . . . 9 . HB# . . . . . 9 . HE# . . rr_1awx 2 17 3 OR . 1 1 9 9 LYS HE3 H . . . 1 1 9 9 LYS HB2 H . . . . . 3.5 0.0 4.9 . . . . . A . 9 LYS HE3 . . A . 9 LYS HB2 . . . 9 . HE# . . . . . 9 . HB# . . rr_1awx 2 17 4 OR . 1 1 9 9 LYS HB3 H . . . 1 1 9 9 LYS HE3 H . . . . . 3.5 0.0 4.9 . . . . . A . 9 LYS HB3 . . A . 9 LYS HE3 . . . 9 . HB# . . . . . 9 . HE# . . rr_1awx 2 18 1 . . 1 1 9 9 LYS H H . . . 1 1 35 35 ILE MG H . . . . . 5.0 0.0 5.4 . . . . . A . 9 LYS H . . A . 35 ILE MG . . . 9 . HN . . . . . 35 . HG2# . . rr_1awx 2 19 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 10 LYS HA . . A . 10 LYS HB3 . . . 10 . HA . . . . . 10 . HB# . . rr_1awx 2 19 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 10 LYS HA . . A . 10 LYS HB2 . . . 10 . HA . . . . . 10 . HB# . . rr_1awx 2 20 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 10 LYS HA . . A . 10 LYS HG2 . . . 10 . HA . . . . . 10 . HG# . . rr_1awx 2 20 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 10 LYS HA . . A . 10 LYS HG3 . . . 10 . HA . . . . . 10 . HG# . . rr_1awx 2 21 1 OR . 1 1 10 10 LYS HE3 H . . . 1 1 10 10 LYS HG2 H . . . . . 5.0 0.0 6.4 . . . . . A . 10 LYS HE3 . . A . 10 LYS HG2 . . . 10 . HE# . . . . . 10 . HG# . . rr_1awx 2 21 2 OR . 1 1 10 10 LYS HE2 H . . . 1 1 10 10 LYS HG2 H . . . . . 5.0 0.0 6.4 . . . . . A . 10 LYS HE2 . . A . 10 LYS HG2 . . . 10 . HE# . . . . . 10 . HG# . . rr_1awx 2 21 3 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HE2 H . . . . . 5.0 0.0 6.4 . . . . . A . 10 LYS HG3 . . A . 10 LYS HE2 . . . 10 . HG# . . . . . 10 . HE# . . rr_1awx 2 21 4 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HE3 H . . . . . 5.0 0.0 6.4 . . . . . A . 10 LYS HG3 . . A . 10 LYS HE3 . . . 10 . HG# . . . . . 10 . HE# . . rr_1awx 2 22 1 OR . 1 1 10 10 LYS HA H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 10 LYS HA . . A . 11 VAL MG1 . . . 10 . HA . . . . . 11 . HG# . . rr_1awx 2 22 2 OR . 1 1 10 10 LYS HA H . . . 1 1 11 11 VAL MG2 H . . . . . 5.0 0.0 6.5 . . . . . A . 10 LYS HA . . A . 11 VAL MG2 . . . 10 . HA . . . . . 11 . HG# . . rr_1awx 2 23 1 . . 1 1 10 10 LYS HA H . . . 1 1 34 34 PHE HA H . . . . . 3.5 0.0 3.5 . . . . . A . 10 LYS HA . . A . 34 PHE HA . . . 10 . HA . . . . . 34 . HA . . rr_1awx 2 24 1 . . 1 1 10 10 LYS HA H . . . 1 1 34 34 PHE QD H . . . . . 5.0 0.0 7.0 . . . . . A . 10 LYS HA . . A . 34 PHE QD . . . 10 . HA . . . . . 34 . HD# . . rr_1awx 2 25 1 OR . 1 1 34 34 PHE QE H . . . 1 1 10 10 LYS HB3 H . . . . . 5.0 0.0 7.7 . . . . . A . 34 PHE QE . . A . 10 LYS HB3 . . . 34 . HE# . . . . . 10 . HB# . . rr_1awx 2 25 2 OR . 1 1 10 10 LYS HB2 H . . . 1 1 34 34 PHE QE H . . . . . 5.0 0.0 7.7 . . . . . A . 10 LYS HB2 . . A . 34 PHE QE . . . 10 . HB# . . . . . 34 . HE# . . rr_1awx 2 26 1 OR . 1 1 11 11 VAL H H . . . 1 1 11 11 VAL MG1 H . . . . . 3.5 0.0 5.0 . . . . . A . 11 VAL H . . A . 11 VAL MG1 . . . 11 . HN . . . . . 11 . HG# . . rr_1awx 2 26 2 OR . 1 1 11 11 VAL H H . . . 1 1 11 11 VAL MG2 H . . . . . 3.5 0.0 5.0 . . . . . A . 11 VAL H . . A . 11 VAL MG2 . . . 11 . HN . . . . . 11 . HG# . . rr_1awx 2 27 1 . . 1 1 11 11 VAL HA H . . . 1 1 11 11 VAL HB H . . . . . 2.8 0.0 2.8 . . . . . A . 11 VAL HA . . A . 11 VAL HB . . . 11 . HA . . . . . 11 . HB . . rr_1awx 2 28 1 OR . 1 1 11 11 VAL HA H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL HA . . A . 11 VAL MG1 . . . 11 . HA . . . . . 11 . HG# . . rr_1awx 2 28 2 OR . 1 1 11 11 VAL HA H . . . 1 1 11 11 VAL MG2 H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL HA . . A . 11 VAL MG2 . . . 11 . HA . . . . . 11 . HG# . . rr_1awx 2 29 1 . . 1 1 11 11 VAL HA H . . . 1 1 63 63 GLU HA H . . . . . 2.8 0.0 2.8 . . . . . A . 11 VAL HA . . A . 63 GLU HA . . . 11 . HA . . . . . 63 . HA . . rr_1awx 2 30 1 OR . 1 1 11 11 VAL MG2 H . . . 1 1 63 63 GLU HG2 H . . . . . 5.0 0.0 7.2 . . . . . A . 11 VAL MG2 . . A . 63 GLU HG2 . . . 11 . HG# . . . . . 63 . HG# . . rr_1awx 2 30 2 OR . 1 1 11 11 VAL MG1 H . . . 1 1 63 63 GLU HG2 H . . . . . 5.0 0.0 7.2 . . . . . A . 11 VAL MG1 . . A . 63 GLU HG2 . . . 11 . HG# . . . . . 63 . HG# . . rr_1awx 2 30 3 OR . 1 1 63 63 GLU HG3 H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 7.2 . . . . . A . 63 GLU HG3 . . A . 11 VAL MG1 . . . 63 . HG# . . . . . 11 . HG# . . rr_1awx 2 30 4 OR . 1 1 11 11 VAL MG2 H . . . 1 1 63 63 GLU HG3 H . . . . . 5.0 0.0 7.2 . . . . . A . 11 VAL MG2 . . A . 63 GLU HG3 . . . 11 . HG# . . . . . 63 . HG# . . rr_1awx 2 31 1 . . 1 1 11 11 VAL HA H . . . 1 1 64 64 ALA H H . . . . . 2.8 0.0 2.8 . . . . . A . 11 VAL HA . . A . 64 ALA H . . . 11 . HA . . . . . 64 . HN . . rr_1awx 2 32 1 . . 1 1 11 11 VAL HA H . . . 1 1 64 64 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 11 VAL HA . . A . 64 ALA MB . . . 11 . HA . . . . . 64 . HB# . . rr_1awx 2 33 1 . . 1 1 12 12 VAL H H . . . 1 1 12 12 VAL MG2 H . . . . . 3.5 0.0 3.9 . . . . . A . 12 VAL H . . A . 12 VAL MG2 . . . 12 . HN . . . . . 12 . HG2# . . rr_1awx 2 34 1 . . 1 1 12 12 VAL H H . . . 1 1 12 12 VAL MG1 H . . . . . 3.5 0.0 3.9 . . . . . A . 12 VAL H . . A . 12 VAL MG1 . . . 12 . HN . . . . . 12 . HG1# . . rr_1awx 2 35 1 . . 1 1 12 12 VAL HA H . . . 1 1 12 12 VAL HB H . . . . . 2.8 0.0 2.8 . . . . . A . 12 VAL HA . . A . 12 VAL HB . . . 12 . HA . . . . . 12 . HB . . rr_1awx 2 36 1 . . 1 1 12 12 VAL HA H . . . 1 1 12 12 VAL MG1 H . . . . . 3.5 0.0 3.9 . . . . . A . 12 VAL HA . . A . 12 VAL MG1 . . . 12 . HA . . . . . 12 . HG1# . . rr_1awx 2 37 1 . . 1 1 12 12 VAL HA H . . . 1 1 12 12 VAL MG2 H . . . . . 3.5 0.0 3.9 . . . . . A . 12 VAL HA . . A . 12 VAL MG2 . . . 12 . HA . . . . . 12 . HG2# . . rr_1awx 2 38 1 . . 1 1 13 13 ALA H H . . . 1 1 12 12 VAL MG1 H . . . . . 3.5 0.0 3.9 . . . . . A . 13 ALA H . . A . 12 VAL MG1 . . . 13 . HN . . . . . 12 . HG1# . . rr_1awx 2 39 1 . . 1 1 13 13 ALA H H . . . 1 1 12 12 VAL MG2 H . . . . . 3.5 0.0 3.9 . . . . . A . 13 ALA H . . A . 12 VAL MG2 . . . 13 . HN . . . . . 12 . HG2# . . rr_1awx 2 40 1 . . 1 1 12 12 VAL HA H . . . 1 1 32 32 GLU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 12 VAL HA . . A . 32 GLU HB2 . . . 12 . HA . . . . . 32 . HB2 . . rr_1awx 2 41 1 . . 1 1 33 33 TYR H H . . . 1 1 12 12 VAL HA H . . . . . 3.5 0.0 3.5 . . . . . A . 33 TYR H . . A . 12 VAL HA . . . 33 . HN . . . . . 12 . HA . . rr_1awx 2 42 1 . . 1 1 12 12 VAL HA H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 7.0 . . . . . A . 12 VAL HA . . A . 33 TYR QE . . . 12 . HA . . . . . 33 . HE# . . rr_1awx 2 43 1 . . 1 1 12 12 VAL H H . . . 1 1 61 61 VAL HB H . . . . . 3.5 0.0 3.5 . . . . . A . 12 VAL H . . A . 61 VAL HB . . . 12 . HN . . . . . 61 . HB . . rr_1awx 2 44 1 . . 1 1 12 12 VAL H H . . . 1 1 62 62 THR H H . . . . . 3.5 0.0 3.5 . . . . . A . 12 VAL H . . A . 62 THR H . . . 12 . HN . . . . . 62 . HN . . rr_1awx 2 45 1 . . 1 1 12 12 VAL H H . . . 1 1 62 62 THR MG H . . . . . 3.5 0.0 3.9 . . . . . A . 12 VAL H . . A . 62 THR MG . . . 12 . HN . . . . . 62 . HG2# . . rr_1awx 2 46 1 . . 1 1 12 12 VAL H H . . . 1 1 63 63 GLU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 12 VAL H . . A . 63 GLU HA . . . 12 . HN . . . . . 63 . HA . . rr_1awx 2 47 1 . . 1 1 13 13 ALA H H . . . 1 1 33 33 TYR QE H . . . . . 3.5 0.0 5.5 . . . . . A . 13 ALA H . . A . 33 TYR QE . . . 13 . HN . . . . . 33 . HE# . . rr_1awx 2 48 1 . . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 14 LEU HA . . A . 14 LEU HB2 . . . 14 . HA . . . . . 14 . HB2 . . rr_1awx 2 49 1 OR . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU MD1 H . . . . . 3.5 0.0 5.0 . . . . . A . 14 LEU HA . . A . 14 LEU MD1 . . . 14 . HA . . . . . 14 . HD# . . rr_1awx 2 49 2 OR . 1 1 14 14 LEU HA H . . . 1 1 14 14 LEU MD2 H . . . . . 3.5 0.0 5.0 . . . . . A . 14 LEU HA . . A . 14 LEU MD2 . . . 14 . HA . . . . . 14 . HD# . . rr_1awx 2 50 1 . . 1 1 14 14 LEU H H . . . 1 1 15 15 TYR H H . . . . . 3.5 0.0 3.5 . . . . . A . 14 LEU H . . A . 15 TYR H . . . 14 . HN . . . . . 15 . HN . . rr_1awx 2 51 1 . . 1 1 14 14 LEU HA H . . . 1 1 15 15 TYR H H . . . . . 3.5 0.0 3.5 . . . . . A . 14 LEU HA . . A . 15 TYR H . . . 14 . HA . . . . . 15 . HN . . rr_1awx 2 52 1 . . 1 1 30 30 GLY H H . . . 1 1 14 14 LEU HA H . . . . . 5.0 0.0 5.0 . . . . . A . 30 GLY H . . A . 14 LEU HA . . . 30 . HN . . . . . 14 . HA . . rr_1awx 2 53 1 . . 1 1 14 14 LEU HG H . . . 1 1 61 61 VAL HA H . . . . . 3.5 0.0 3.5 . . . . . A . 14 LEU HG . . A . 61 VAL HA . . . 14 . HG . . . . . 61 . HA . . rr_1awx 2 54 1 . . 1 1 62 62 THR H H . . . 1 1 14 14 LEU H H . . . . . 5.0 0.0 5.0 . . . . . A . 62 THR H . . A . 14 LEU H . . . 62 . HN . . . . . 14 . HN . . rr_1awx 2 55 1 . . 1 1 16 16 ASP HB3 H . . . 1 1 17 17 TYR H H . . . . . 3.5 0.0 3.5 . . . . . A . 16 ASP HB3 . . A . 17 TYR H . . . 16 . HB1 . . . . . 17 . HN . . rr_1awx 2 56 1 . . 1 1 17 17 TYR H H . . . 1 1 17 17 TYR HA H . . . . . 3.5 0.0 3.5 . . . . . A . 17 TYR H . . A . 17 TYR HA . . . 17 . HN . . . . . 17 . HA . . rr_1awx 2 57 1 . . 1 1 17 17 TYR H H . . . 1 1 17 17 TYR HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 17 TYR H . . A . 17 TYR HB3 . . . 17 . HN . . . . . 17 . HB1 . . rr_1awx 2 58 1 . . 1 1 18 18 MET H H . . . 1 1 17 17 TYR HA H . . . . . 2.8 0.0 2.8 . . . . . A . 18 MET H . . A . 17 TYR HA . . . 18 . HN . . . . . 17 . HA . . rr_1awx 2 59 1 . . 1 1 17 17 TYR H H . . . 1 1 27 27 LEU H H . . . . . 5.0 0.0 5.0 . . . . . A . 17 TYR H . . A . 27 LEU H . . . 17 . HN . . . . . 27 . HN . . rr_1awx 2 60 1 OR . 1 1 27 27 LEU H H . . . 1 1 17 17 TYR HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 27 LEU H . . A . 17 TYR HB2 . . . 27 . HN . . . . . 17 . HB# . . rr_1awx 2 60 2 OR . 1 1 17 17 TYR HB3 H . . . 1 1 27 27 LEU H H . . . . . 3.5 0.0 4.2 . . . . . A . 17 TYR HB3 . . A . 27 LEU H . . . 17 . HB# . . . . . 27 . HN . . rr_1awx 2 61 1 . . 1 1 17 17 TYR QD H . . . 1 1 27 27 LEU H H . . . . . 5.0 0.0 7.0 . . . . . A . 17 TYR QD . . A . 27 LEU H . . . 17 . HD# . . . . . 27 . HN . . rr_1awx 2 62 1 . . 1 1 17 17 TYR QD H . . . 1 1 27 27 LEU HB2 H . . . . . 5.0 0.0 7.0 . . . . . A . 17 TYR QD . . A . 27 LEU HB2 . . . 17 . HD# . . . . . 27 . HB2 . . rr_1awx 2 63 1 OR . 1 1 17 17 TYR QD H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 8.5 . . . . . A . 17 TYR QD . . A . 27 LEU MD1 . . . 17 . HD# . . . . . 27 . HD# . . rr_1awx 2 63 2 OR . 1 1 17 17 TYR QD H . . . 1 1 27 27 LEU MD2 H . . . . . 5.0 0.0 8.5 . . . . . A . 17 TYR QD . . A . 27 LEU MD2 . . . 17 . HD# . . . . . 27 . HD# . . rr_1awx 2 64 1 . . 1 1 18 18 MET H H . . . 1 1 18 18 MET HA H . . . . . 5.0 0.0 5.0 . . . . . A . 18 MET H . . A . 18 MET HA . . . 18 . HN . . . . . 18 . HA . . rr_1awx 2 65 1 OR . 1 1 18 18 MET HA H . . . 1 1 18 18 MET HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 18 MET HA . . A . 18 MET HB3 . . . 18 . HA . . . . . 18 . HB# . . rr_1awx 2 65 2 OR . 1 1 18 18 MET HA H . . . 1 1 18 18 MET HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 18 MET HA . . A . 18 MET HB2 . . . 18 . HA . . . . . 18 . HB# . . rr_1awx 2 66 1 OR . 1 1 18 18 MET HA H . . . 1 1 19 19 PRO HD2 H . . . . . 3.5 0.0 4.2 . . . . . A . 18 MET HA . . A . 19 PRO HD2 . . . 18 . HA . . . . . 19 . HD# . . rr_1awx 2 66 2 OR . 1 1 18 18 MET HA H . . . 1 1 19 19 PRO HD3 H . . . . . 3.5 0.0 4.2 . . . . . A . 18 MET HA . . A . 19 PRO HD3 . . . 18 . HA . . . . . 19 . HD# . . rr_1awx 2 67 1 . . 1 1 20 20 MET H H . . . 1 1 20 20 MET HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 20 MET H . . A . 20 MET HB2 . . . 20 . HN . . . . . 20 . HB2 . . rr_1awx 2 68 1 . . 1 1 20 20 MET H H . . . 1 1 21 21 ASN H H . . . . . 3.5 0.0 3.5 . . . . . A . 20 MET H . . A . 21 ASN H . . . 20 . HN . . . . . 21 . HN . . rr_1awx 2 69 1 . . 1 1 21 21 ASN H H . . . 1 1 20 20 MET HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 21 ASN H . . A . 20 MET HB2 . . . 21 . HN . . . . . 20 . HB2 . . rr_1awx 2 70 1 OR . 1 1 20 20 MET H H . . . 1 1 24 24 ASP HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 20 MET H . . A . 24 ASP HB2 . . . 20 . HN . . . . . 24 . HB# . . rr_1awx 2 70 2 OR . 1 1 20 20 MET H H . . . 1 1 24 24 ASP HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 20 MET H . . A . 24 ASP HB3 . . . 20 . HN . . . . . 24 . HB# . . rr_1awx 2 71 1 OR . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HD22 H . . . . . 5.0 0.0 5.7 . . . . . A . 21 ASN H . . A . 21 ASN HD22 . . . 21 . HN . . . . . 21 . HD2# . . rr_1awx 2 71 2 OR . 1 1 21 21 ASN H H . . . 1 1 21 21 ASN HD21 H . . . . . 5.0 0.0 5.7 . . . . . A . 21 ASN H . . A . 21 ASN HD21 . . . 21 . HN . . . . . 21 . HD2# . . rr_1awx 2 72 1 OR . 1 1 21 21 ASN HB2 H . . . 1 1 21 21 ASN HD22 H . . . . . 3.5 0.0 4.9 . . . . . A . 21 ASN HB2 . . A . 21 ASN HD22 . . . 21 . HB# . . . . . 21 . HD2# . . rr_1awx 2 72 2 OR . 1 1 21 21 ASN HB3 H . . . 1 1 21 21 ASN HD22 H . . . . . 3.5 0.0 4.9 . . . . . A . 21 ASN HB3 . . A . 21 ASN HD22 . . . 21 . HB# . . . . . 21 . HD2# . . rr_1awx 2 72 3 OR . 1 1 21 21 ASN HD21 H . . . 1 1 21 21 ASN HB2 H . . . . . 3.5 0.0 4.9 . . . . . A . 21 ASN HD21 . . A . 21 ASN HB2 . . . 21 . HD2# . . . . . 21 . HB# . . rr_1awx 2 72 4 OR . 1 1 21 21 ASN HB3 H . . . 1 1 21 21 ASN HD21 H . . . . . 3.5 0.0 4.9 . . . . . A . 21 ASN HB3 . . A . 21 ASN HD21 . . . 21 . HB# . . . . . 21 . HD2# . . rr_1awx 2 73 1 . . 1 1 22 22 ALA H H . . . 1 1 22 22 ALA HA H . . . . . 3.5 0.0 3.5 . . . . . A . 22 ALA H . . A . 22 ALA HA . . . 22 . HN . . . . . 22 . HA . . rr_1awx 2 74 1 OR . 1 1 22 22 ALA MB H . . . 1 1 23 23 ASN HD22 H . . . . . 5.0 0.0 6.1 . . . . . A . 22 ALA MB . . A . 23 ASN HD22 . . . 22 . HB# . . . . . 23 . HD2# . . rr_1awx 2 74 2 OR . 1 1 22 22 ALA MB H . . . 1 1 23 23 ASN HD21 H . . . . . 5.0 0.0 6.1 . . . . . A . 22 ALA MB . . A . 23 ASN HD21 . . . 22 . HB# . . . . . 23 . HD2# . . rr_1awx 2 75 1 OR . 1 1 23 23 ASN HB3 H . . . 1 1 23 23 ASN HD22 H . . . . . 5.0 0.0 5.7 . . . . . A . 23 ASN HB3 . . A . 23 ASN HD22 . . . 23 . HB1 . . . . . 23 . HD2# . . rr_1awx 2 75 2 OR . 1 1 23 23 ASN HB3 H . . . 1 1 23 23 ASN HD21 H . . . . . 5.0 0.0 5.7 . . . . . A . 23 ASN HB3 . . A . 23 ASN HD21 . . . 23 . HB1 . . . . . 23 . HD2# . . rr_1awx 2 76 1 . . 1 1 24 24 ASP H H . . . 1 1 23 23 ASN H H . . . . . 3.5 0.0 3.5 . . . . . A . 24 ASP H . . A . 23 ASN H . . . 24 . HN . . . . . 23 . HN . . rr_1awx 2 77 1 . . 1 1 24 24 ASP H H . . . 1 1 23 23 ASN HA H . . . . . 3.5 0.0 3.5 . . . . . A . 24 ASP H . . A . 23 ASN HA . . . 24 . HN . . . . . 23 . HA . . rr_1awx 2 78 1 OR . 1 1 24 24 ASP HA H . . . 1 1 24 24 ASP HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 24 ASP HA . . A . 24 ASP HB2 . . . 24 . HA . . . . . 24 . HB# . . rr_1awx 2 78 2 OR . 1 1 24 24 ASP HB3 H . . . 1 1 24 24 ASP HA H . . . . . 3.5 0.0 4.2 . . . . . A . 24 ASP HB3 . . A . 24 ASP HA . . . 24 . HB# . . . . . 24 . HA . . rr_1awx 2 79 1 OR . 1 1 24 24 ASP HA H . . . 1 1 54 54 GLY HA2 H . . . . . 5.0 0.0 5.7 . . . . . A . 24 ASP HA . . A . 54 GLY HA2 . . . 24 . HA . . . . . 54 . HA# . . rr_1awx 2 79 2 OR . 1 1 24 24 ASP HA H . . . 1 1 54 54 GLY HA3 H . . . . . 5.0 0.0 5.7 . . . . . A . 24 ASP HA . . A . 54 GLY HA3 . . . 24 . HA . . . . . 54 . HA# . . rr_1awx 2 80 1 . . 1 1 24 24 ASP HA H . . . 1 1 55 55 TYR H H . . . . . 2.8 0.0 2.8 . . . . . A . 24 ASP HA . . A . 55 TYR H . . . 24 . HA . . . . . 55 . HN . . rr_1awx 2 81 1 OR . 1 1 25 25 LEU HB3 H . . . 1 1 27 27 LEU MD1 H . . . . . 3.5 0.0 5.7 . . . . . A . 25 LEU HB3 . . A . 27 LEU MD1 . . . 25 . HB# . . . . . 27 . HD# . . rr_1awx 2 81 2 OR . 1 1 25 25 LEU HB2 H . . . 1 1 27 27 LEU MD1 H . . . . . 3.5 0.0 5.7 . . . . . A . 25 LEU HB2 . . A . 27 LEU MD1 . . . 25 . HB# . . . . . 27 . HD# . . rr_1awx 2 81 3 OR . 1 1 27 27 LEU MD2 H . . . 1 1 25 25 LEU HB2 H . . . . . 3.5 0.0 5.7 . . . . . A . 27 LEU MD2 . . A . 25 LEU HB2 . . . 27 . HD# . . . . . 25 . HB# . . rr_1awx 2 81 4 OR . 1 1 25 25 LEU HB3 H . . . 1 1 27 27 LEU MD2 H . . . . . 3.5 0.0 5.7 . . . . . A . 25 LEU HB3 . . A . 27 LEU MD2 . . . 25 . HB# . . . . . 27 . HD# . . rr_1awx 2 82 1 OR . 1 1 25 25 LEU MD2 H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 8.0 . . . . . A . 25 LEU MD2 . . A . 27 LEU MD1 . . . 25 . HD# . . . . . 27 . HD# . . rr_1awx 2 82 2 OR . 1 1 25 25 LEU MD1 H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 8.0 . . . . . A . 25 LEU MD1 . . A . 27 LEU MD1 . . . 25 . HD# . . . . . 27 . HD# . . rr_1awx 2 82 3 OR . 1 1 27 27 LEU MD2 H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 8.0 . . . . . A . 27 LEU MD2 . . A . 25 LEU MD1 . . . 27 . HD# . . . . . 25 . HD# . . rr_1awx 2 82 4 OR . 1 1 25 25 LEU MD2 H . . . 1 1 27 27 LEU MD2 H . . . . . 5.0 0.0 8.0 . . . . . A . 25 LEU MD2 . . A . 27 LEU MD2 . . . 25 . HD# . . . . . 27 . HD# . . rr_1awx 2 83 1 OR . 1 1 47 47 ARG HA H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 47 ARG HA . . A . 25 LEU MD1 . . . 47 . HA . . . . . 25 . HD# . . rr_1awx 2 83 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 47 47 ARG HA H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 47 ARG HA . . . 25 . HD# . . . . . 47 . HA . . rr_1awx 2 84 1 OR . 1 1 53 53 GLU HA H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 53 GLU HA . . A . 25 LEU MD1 . . . 53 . HA . . . . . 25 . HD# . . rr_1awx 2 84 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 53 53 GLU HA H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 53 GLU HA . . . 25 . HD# . . . . . 53 . HA . . rr_1awx 2 85 1 . . 1 1 25 25 LEU H H . . . 1 1 55 55 TYR H H . . . . . 3.5 0.0 3.5 . . . . . A . 25 LEU H . . A . 55 TYR H . . . 25 . HN . . . . . 55 . HN . . rr_1awx 2 86 1 OR . 1 1 26 26 GLN H H . . . 1 1 26 26 GLN HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 26 GLN H . . A . 26 GLN HB3 . . . 26 . HN . . . . . 26 . HB# . . rr_1awx 2 86 2 OR . 1 1 26 26 GLN H H . . . 1 1 26 26 GLN HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 26 GLN H . . A . 26 GLN HB2 . . . 26 . HN . . . . . 26 . HB# . . rr_1awx 2 87 1 OR . 1 1 27 27 LEU H H . . . 1 1 26 26 GLN HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 27 LEU H . . A . 26 GLN HB3 . . . 27 . HN . . . . . 26 . HB# . . rr_1awx 2 87 2 OR . 1 1 26 26 GLN HB2 H . . . 1 1 27 27 LEU H H . . . . . 5.0 0.0 5.7 . . . . . A . 26 GLN HB2 . . A . 27 LEU H . . . 26 . HB# . . . . . 27 . HN . . rr_1awx 2 88 1 OR . 1 1 27 27 LEU HA H . . . 1 1 27 27 LEU MD1 H . . . . . 3.5 0.0 5.0 . . . . . A . 27 LEU HA . . A . 27 LEU MD1 . . . 27 . HA . . . . . 27 . HD# . . rr_1awx 2 88 2 OR . 1 1 27 27 LEU HA H . . . 1 1 27 27 LEU MD2 H . . . . . 3.5 0.0 5.0 . . . . . A . 27 LEU HA . . A . 27 LEU MD2 . . . 27 . HA . . . . . 27 . HD# . . rr_1awx 2 89 1 OR . 1 1 27 27 LEU MD2 H . . . 1 1 56 56 ILE HG12 H . . . . . 5.0 0.0 7.2 . . . . . A . 27 LEU MD2 . . A . 56 ILE HG12 . . . 27 . HD# . . . . . 56 . HG1# . . rr_1awx 2 89 2 OR . 1 1 27 27 LEU MD1 H . . . 1 1 56 56 ILE HG12 H . . . . . 5.0 0.0 7.2 . . . . . A . 27 LEU MD1 . . A . 56 ILE HG12 . . . 27 . HD# . . . . . 56 . HG1# . . rr_1awx 2 89 3 OR . 1 1 56 56 ILE HG13 H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 56 ILE HG13 . . A . 27 LEU MD1 . . . 56 . HG1# . . . . . 27 . HD# . . rr_1awx 2 89 4 OR . 1 1 27 27 LEU MD2 H . . . 1 1 56 56 ILE HG13 H . . . . . 5.0 0.0 7.2 . . . . . A . 27 LEU MD2 . . A . 56 ILE HG13 . . . 27 . HD# . . . . . 56 . HG1# . . rr_1awx 2 90 1 OR . 1 1 56 56 ILE MG H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 6.9 . . . . . A . 56 ILE MG . . A . 27 LEU MD1 . . . 56 . HG2# . . . . . 27 . HD# . . rr_1awx 2 90 2 OR . 1 1 27 27 LEU MD2 H . . . 1 1 56 56 ILE MG H . . . . . 5.0 0.0 6.9 . . . . . A . 27 LEU MD2 . . A . 56 ILE MG . . . 27 . HD# . . . . . 56 . HG2# . . rr_1awx 2 91 1 OR . 1 1 56 56 ILE MD H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 6.9 . . . . . A . 56 ILE MD . . A . 27 LEU MD1 . . . 56 . HD1# . . . . . 27 . HD# . . rr_1awx 2 91 2 OR . 1 1 27 27 LEU MD2 H . . . 1 1 56 56 ILE MD H . . . . . 5.0 0.0 6.9 . . . . . A . 27 LEU MD2 . . A . 56 ILE MD . . . 27 . HD# . . . . . 56 . HD1# . . rr_1awx 2 92 1 OR . 1 1 60 60 TYR HB3 H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 60 TYR HB3 . . A . 27 LEU MD1 . . . 60 . HB1 . . . . . 27 . HD# . . rr_1awx 2 92 2 OR . 1 1 27 27 LEU MD2 H . . . 1 1 60 60 TYR HB3 H . . . . . 5.0 0.0 6.5 . . . . . A . 27 LEU MD2 . . A . 60 TYR HB3 . . . 27 . HD# . . . . . 60 . HB1 . . rr_1awx 2 93 1 OR . 1 1 27 27 LEU MD2 H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 8.0 . . . . . A . 27 LEU MD2 . . A . 61 VAL MG1 . . . 27 . HD# . . . . . 61 . HG# . . rr_1awx 2 93 2 OR . 1 1 27 27 LEU MD1 H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 8.0 . . . . . A . 27 LEU MD1 . . A . 61 VAL MG1 . . . 27 . HD# . . . . . 61 . HG# . . rr_1awx 2 93 3 OR . 1 1 61 61 VAL MG2 H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 8.0 . . . . . A . 61 VAL MG2 . . A . 27 LEU MD1 . . . 61 . HG# . . . . . 27 . HD# . . rr_1awx 2 93 4 OR . 1 1 27 27 LEU MD2 H . . . 1 1 61 61 VAL MG2 H . . . . . 5.0 0.0 8.0 . . . . . A . 27 LEU MD2 . . A . 61 VAL MG2 . . . 27 . HD# . . . . . 61 . HG# . . rr_1awx 2 94 1 OR . 1 1 28 28 ARG HA H . . . 1 1 28 28 ARG HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 28 ARG HA . . A . 28 ARG HB2 . . . 28 . HA . . . . . 28 . HB# . . rr_1awx 2 94 2 OR . 1 1 28 28 ARG HA H . . . 1 1 28 28 ARG HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 28 ARG HA . . A . 28 ARG HB3 . . . 28 . HA . . . . . 28 . HB# . . rr_1awx 2 95 1 OR . 1 1 28 28 ARG HE H . . . 1 1 28 28 ARG HD2 H . . . . . 5.0 0.0 5.7 . . . . . A . 28 ARG HE . . A . 28 ARG HD2 . . . 28 . HE . . . . . 28 . HD# . . rr_1awx 2 95 2 OR . 1 1 28 28 ARG HE H . . . 1 1 28 28 ARG HD3 H . . . . . 5.0 0.0 5.7 . . . . . A . 28 ARG HE . . A . 28 ARG HD3 . . . 28 . HE . . . . . 28 . HD# . . rr_1awx 2 96 1 OR . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 29 LYS HA . . A . 29 LYS HG2 . . . 29 . HA . . . . . 29 . HG# . . rr_1awx 2 96 2 OR . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 29 LYS HA . . A . 29 LYS HG3 . . . 29 . HA . . . . . 29 . HG# . . rr_1awx 2 97 1 . . 1 1 30 30 GLY H H . . . 1 1 31 31 ASP H H . . . . . 3.5 0.0 3.5 . . . . . A . 30 GLY H . . A . 31 ASP H . . . 30 . HN . . . . . 31 . HN . . rr_1awx 2 98 1 . . 1 1 32 32 GLU H H . . . 1 1 32 32 GLU HB2 H . . . . . 2.8 0.0 2.8 . . . . . A . 32 GLU H . . A . 32 GLU HB2 . . . 32 . HN . . . . . 32 . HB2 . . rr_1awx 2 99 1 . . 1 1 32 32 GLU HA H . . . 1 1 32 32 GLU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 32 GLU HA . . A . 32 GLU HB2 . . . 32 . HA . . . . . 32 . HB2 . . rr_1awx 2 100 1 OR . 1 1 32 32 GLU HA H . . . 1 1 32 32 GLU HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 32 GLU HA . . A . 32 GLU HG2 . . . 32 . HA . . . . . 32 . HG# . . rr_1awx 2 100 2 OR . 1 1 32 32 GLU HA H . . . 1 1 32 32 GLU HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 32 GLU HA . . A . 32 GLU HG3 . . . 32 . HA . . . . . 32 . HG# . . rr_1awx 2 101 1 . . 1 1 33 33 TYR H H . . . 1 1 33 33 TYR QD H . . . . . 3.5 0.0 5.5 . . . . . A . 33 TYR H . . A . 33 TYR QD . . . 33 . HN . . . . . 33 . HD# . . rr_1awx 2 102 1 . . 1 1 34 34 PHE HA H . . . 1 1 34 34 PHE HB3 H . . . . . 2.8 0.0 2.8 . . . . . A . 34 PHE HA . . A . 34 PHE HB3 . . . 34 . HA . . . . . 34 . HB1 . . rr_1awx 2 103 1 . . 1 1 35 35 ILE H H . . . 1 1 34 34 PHE HA H . . . . . 2.8 0.0 2.8 . . . . . A . 35 ILE H . . A . 34 PHE HA . . . 35 . HN . . . . . 34 . HA . . rr_1awx 2 104 1 . . 1 1 35 35 ILE H H . . . 1 1 34 34 PHE QD H . . . . . 5.0 0.0 7.0 . . . . . A . 35 ILE H . . A . 34 PHE QD . . . 35 . HN . . . . . 34 . HD# . . rr_1awx 2 105 1 . . 1 1 34 34 PHE HA H . . . 1 1 46 46 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 34 PHE HA . . A . 46 ALA MB . . . 34 . HA . . . . . 46 . HB# . . rr_1awx 2 106 1 . . 1 1 34 34 PHE H H . . . 1 1 47 47 ARG H H . . . . . 3.5 0.0 3.5 . . . . . A . 34 PHE H . . A . 47 ARG H . . . 34 . HN . . . . . 47 . HN . . rr_1awx 2 107 1 OR . 1 1 34 34 PHE QD H . . . 1 1 47 47 ARG HG2 H . . . . . 5.0 0.0 7.7 . . . . . A . 34 PHE QD . . A . 47 ARG HG2 . . . 34 . HD# . . . . . 47 . HG# . . rr_1awx 2 107 2 OR . 1 1 34 34 PHE QD H . . . 1 1 47 47 ARG HG3 H . . . . . 5.0 0.0 7.7 . . . . . A . 34 PHE QD . . A . 47 ARG HG3 . . . 34 . HD# . . . . . 47 . HG# . . rr_1awx 2 108 1 . . 1 1 35 35 ILE HB H . . . 1 1 35 35 ILE MG H . . . . . 2.8 0.0 3.2 . . . . . A . 35 ILE HB . . A . 35 ILE MG . . . 35 . HB . . . . . 35 . HG2# . . rr_1awx 2 109 1 . . 1 1 35 35 ILE HB H . . . 1 1 35 35 ILE MD H . . . . . 3.5 0.0 3.9 . . . . . A . 35 ILE HB . . A . 35 ILE MD . . . 35 . HB . . . . . 35 . HD1# . . rr_1awx 2 110 1 . . 1 1 35 35 ILE MG H . . . 1 1 36 36 LEU H H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE MG . . A . 36 LEU H . . . 35 . HG2# . . . . . 36 . HN . . rr_1awx 2 111 1 . . 1 1 35 35 ILE MG H . . . 1 1 44 44 TRP HB3 H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE MG . . A . 44 TRP HB3 . . . 35 . HG2# . . . . . 44 . HB1 . . rr_1awx 2 112 1 . . 1 1 35 35 ILE MD H . . . 1 1 44 44 TRP HB3 H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE MD . . A . 44 TRP HB3 . . . 35 . HD1# . . . . . 44 . HB1 . . rr_1awx 2 113 1 . . 1 1 35 35 ILE MG H . . . 1 1 45 45 ARG H H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE MG . . A . 45 ARG H . . . 35 . HG2# . . . . . 45 . HN . . rr_1awx 2 114 1 . . 1 1 35 35 ILE HB H . . . 1 1 46 46 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE HB . . A . 46 ALA MB . . . 35 . HB . . . . . 46 . HB# . . rr_1awx 2 115 1 . . 1 1 35 35 ILE MD H . . . 1 1 46 46 ALA HA H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE MD . . A . 46 ALA HA . . . 35 . HD1# . . . . . 46 . HA . . rr_1awx 2 116 1 OR . 1 1 36 36 LEU H H . . . 1 1 45 45 ARG HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 36 LEU H . . A . 45 ARG HB2 . . . 36 . HN . . . . . 45 . HB# . . rr_1awx 2 116 2 OR . 1 1 36 36 LEU H H . . . 1 1 45 45 ARG HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 36 LEU H . . A . 45 ARG HB3 . . . 36 . HN . . . . . 45 . HB# . . rr_1awx 2 117 1 OR . 1 1 45 45 ARG H H . . . 1 1 36 36 LEU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 45 ARG H . . A . 36 LEU HB2 . . . 45 . HN . . . . . 36 . HB# . . rr_1awx 2 117 2 OR . 1 1 36 36 LEU HB3 H . . . 1 1 45 45 ARG H H . . . . . 5.0 0.0 5.7 . . . . . A . 36 LEU HB3 . . A . 45 ARG H . . . 36 . HB# . . . . . 45 . HN . . rr_1awx 2 118 1 OR . 1 1 46 46 ALA HA H . . . 1 1 36 36 LEU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 46 ALA HA . . A . 36 LEU HB2 . . . 46 . HA . . . . . 36 . HB# . . rr_1awx 2 118 2 OR . 1 1 36 36 LEU HB3 H . . . 1 1 46 46 ALA HA H . . . . . 3.5 0.0 4.2 . . . . . A . 36 LEU HB3 . . A . 46 ALA HA . . . 36 . HB# . . . . . 46 . HA . . rr_1awx 2 119 1 OR . 1 1 47 47 ARG HE H . . . 1 1 36 36 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 47 ARG HE . . A . 36 LEU MD1 . . . 47 . HE . . . . . 36 . HD# . . rr_1awx 2 119 2 OR . 1 1 36 36 LEU MD2 H . . . 1 1 47 47 ARG HE H . . . . . 5.0 0.0 6.5 . . . . . A . 36 LEU MD2 . . A . 47 ARG HE . . . 36 . HD# . . . . . 47 . HE . . rr_1awx 2 120 1 . . 1 1 37 37 GLU H H . . . 1 1 45 45 ARG H H . . . . . 3.5 0.0 3.5 . . . . . A . 37 GLU H . . A . 45 ARG H . . . 37 . HN . . . . . 45 . HN . . rr_1awx 2 121 1 . . 1 1 38 38 GLU HA H . . . 1 1 38 38 GLU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 38 GLU HA . . A . 38 GLU HB2 . . . 38 . HA . . . . . 38 . HB2 . . rr_1awx 2 122 1 OR . 1 1 38 38 GLU HA H . . . 1 1 38 38 GLU HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 38 GLU HA . . A . 38 GLU HG2 . . . 38 . HA . . . . . 38 . HG# . . rr_1awx 2 122 2 OR . 1 1 38 38 GLU HA H . . . 1 1 38 38 GLU HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 38 GLU HA . . A . 38 GLU HG3 . . . 38 . HA . . . . . 38 . HG# . . rr_1awx 2 123 1 . . 1 1 38 38 GLU HA H . . . 1 1 44 44 TRP HD1 H . . . . . 3.5 0.0 3.5 . . . . . A . 38 GLU HA . . A . 44 TRP HD1 . . . 38 . HA . . . . . 44 . HD1 . . rr_1awx 2 124 1 . . 1 1 39 39 SER HB2 H . . . 1 1 44 44 TRP HD1 H . . . . . 3.5 0.0 3.5 . . . . . A . 39 SER HB2 . . A . 44 TRP HD1 . . . 39 . HB2 . . . . . 44 . HD1 . . rr_1awx 2 125 1 OR . 1 1 41 41 LEU HA H . . . 1 1 41 41 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 41 LEU HA . . A . 41 LEU MD1 . . . 41 . HA . . . . . 41 . HD# . . rr_1awx 2 125 2 OR . 1 1 41 41 LEU HA H . . . 1 1 41 41 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 41 LEU HA . . A . 41 LEU MD2 . . . 41 . HA . . . . . 41 . HD# . . rr_1awx 2 126 1 OR . 1 1 41 41 LEU MD2 H . . . 1 1 42 42 PRO HG2 H . . . . . 5.0 0.0 7.2 . . . . . A . 41 LEU MD2 . . A . 42 PRO HG2 . . . 41 . HD# . . . . . 42 . HG# . . rr_1awx 2 126 2 OR . 1 1 41 41 LEU MD1 H . . . 1 1 42 42 PRO HG2 H . . . . . 5.0 0.0 7.2 . . . . . A . 41 LEU MD1 . . A . 42 PRO HG2 . . . 41 . HD# . . . . . 42 . HG# . . rr_1awx 2 126 3 OR . 1 1 42 42 PRO HG3 H . . . 1 1 41 41 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 42 PRO HG3 . . A . 41 LEU MD1 . . . 42 . HG# . . . . . 41 . HD# . . rr_1awx 2 126 4 OR . 1 1 41 41 LEU MD2 H . . . 1 1 42 42 PRO HG3 H . . . . . 5.0 0.0 7.2 . . . . . A . 41 LEU MD2 . . A . 42 PRO HG3 . . . 41 . HD# . . . . . 42 . HG# . . rr_1awx 2 127 1 OR . 1 1 41 41 LEU MD2 H . . . 1 1 42 42 PRO HD2 H . . . . . 5.0 0.0 7.2 . . . . . A . 41 LEU MD2 . . A . 42 PRO HD2 . . . 41 . HD# . . . . . 42 . HD# . . rr_1awx 2 127 2 OR . 1 1 42 42 PRO HD3 H . . . 1 1 41 41 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 42 PRO HD3 . . A . 41 LEU MD1 . . . 42 . HD# . . . . . 41 . HD# . . rr_1awx 2 127 3 OR . 1 1 41 41 LEU MD2 H . . . 1 1 42 42 PRO HD3 H . . . . . 5.0 0.0 7.2 . . . . . A . 41 LEU MD2 . . A . 42 PRO HD3 . . . 41 . HD# . . . . . 42 . HD# . . rr_1awx 2 127 4 OR . 1 1 41 41 LEU MD1 H . . . 1 1 42 42 PRO HD2 H . . . . . 5.0 0.0 7.2 . . . . . A . 41 LEU MD1 . . A . 42 PRO HD2 . . . 41 . HD# . . . . . 42 . HD# . . rr_1awx 2 128 1 OR . 1 1 43 43 TRP H H . . . 1 1 42 42 PRO HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 43 TRP H . . A . 42 PRO HG2 . . . 43 . HN . . . . . 42 . HG# . . rr_1awx 2 128 2 OR . 1 1 43 43 TRP H H . . . 1 1 42 42 PRO HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 43 TRP H . . A . 42 PRO HG3 . . . 43 . HN . . . . . 42 . HG# . . rr_1awx 2 129 1 OR . 1 1 43 43 TRP HD1 H . . . 1 1 42 42 PRO HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 43 TRP HD1 . . A . 42 PRO HG2 . . . 43 . HD1 . . . . . 42 . HG# . . rr_1awx 2 129 2 OR . 1 1 42 42 PRO HG3 H . . . 1 1 43 43 TRP HD1 H . . . . . 5.0 0.0 5.7 . . . . . A . 42 PRO HG3 . . A . 43 TRP HD1 . . . 42 . HG# . . . . . 43 . HD1 . . rr_1awx 2 130 1 . . 1 1 43 43 TRP HA H . . . 1 1 43 43 TRP HB3 H . . . . . 2.8 0.0 2.8 . . . . . A . 43 TRP HA . . A . 43 TRP HB3 . . . 43 . HA . . . . . 43 . HB1 . . rr_1awx 2 131 1 . . 1 1 43 43 TRP HA H . . . 1 1 43 43 TRP HE3 H . . . . . 3.5 0.0 3.5 . . . . . A . 43 TRP HA . . A . 43 TRP HE3 . . . 43 . HA . . . . . 43 . HE3 . . rr_1awx 2 132 1 . . 1 1 43 43 TRP HB3 H . . . 1 1 43 43 TRP HE3 H . . . . . 2.8 0.0 2.8 . . . . . A . 43 TRP HB3 . . A . 43 TRP HE3 . . . 43 . HB1 . . . . . 43 . HE3 . . rr_1awx 2 133 1 . . 1 1 43 43 TRP HA H . . . 1 1 57 57 PRO HA H . . . . . 2.8 0.0 2.8 . . . . . A . 43 TRP HA . . A . 57 PRO HA . . . 43 . HA . . . . . 57 . HA . . rr_1awx 2 134 1 . . 1 1 57 57 PRO HA H . . . 1 1 43 43 TRP HD1 H . . . . . 5.0 0.0 5.0 . . . . . A . 57 PRO HA . . A . 43 TRP HD1 . . . 57 . HA . . . . . 43 . HD1 . . rr_1awx 2 135 1 . . 1 1 57 57 PRO HA H . . . 1 1 43 43 TRP HE3 H . . . . . 5.0 0.0 5.0 . . . . . A . 57 PRO HA . . A . 43 TRP HE3 . . . 57 . HA . . . . . 43 . HE3 . . rr_1awx 2 136 1 OR . 1 1 43 43 TRP HE3 H . . . 1 1 57 57 PRO HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 43 TRP HE3 . . A . 57 PRO HG2 . . . 43 . HE3 . . . . . 57 . HG# . . rr_1awx 2 136 2 OR . 1 1 43 43 TRP HE3 H . . . 1 1 57 57 PRO HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 43 TRP HE3 . . A . 57 PRO HG3 . . . 43 . HE3 . . . . . 57 . HG# . . rr_1awx 2 137 1 . . 1 1 44 44 TRP H H . . . 1 1 56 56 ILE H H . . . . . 3.5 0.0 3.5 . . . . . A . 44 TRP H . . A . 56 ILE H . . . 44 . HN . . . . . 56 . HN . . rr_1awx 2 138 1 . . 1 1 44 44 TRP H H . . . 1 1 56 56 ILE MD H . . . . . 5.0 0.0 5.4 . . . . . A . 44 TRP H . . A . 56 ILE MD . . . 44 . HN . . . . . 56 . HD1# . . rr_1awx 2 139 1 OR . 1 1 45 45 ARG HD2 H . . . 1 1 45 45 ARG HG2 H . . . . . 5.0 0.0 6.4 . . . . . A . 45 ARG HD2 . . A . 45 ARG HG2 . . . 45 . HD# . . . . . 45 . HG# . . rr_1awx 2 139 2 OR . 1 1 45 45 ARG HD3 H . . . 1 1 45 45 ARG HG2 H . . . . . 5.0 0.0 6.4 . . . . . A . 45 ARG HD3 . . A . 45 ARG HG2 . . . 45 . HD# . . . . . 45 . HG# . . rr_1awx 2 139 3 OR . 1 1 45 45 ARG HG3 H . . . 1 1 45 45 ARG HD2 H . . . . . 5.0 0.0 6.4 . . . . . A . 45 ARG HG3 . . A . 45 ARG HD2 . . . 45 . HG# . . . . . 45 . HD# . . rr_1awx 2 139 4 OR . 1 1 45 45 ARG HD3 H . . . 1 1 45 45 ARG HG3 H . . . . . 5.0 0.0 6.4 . . . . . A . 45 ARG HD3 . . A . 45 ARG HG3 . . . 45 . HD# . . . . . 45 . HG# . . rr_1awx 2 140 1 . . 1 1 45 45 ARG HA H . . . 1 1 55 55 TYR HA H . . . . . 2.8 0.0 2.8 . . . . . A . 45 ARG HA . . A . 55 TYR HA . . . 45 . HA . . . . . 55 . HA . . rr_1awx 2 141 1 . . 1 1 46 46 ALA MB H . . . 1 1 46 46 ALA HA H . . . . . 3.5 0.0 3.9 . . . . . A . 46 ALA MB . . A . 46 ALA HA . . . 46 . HB# . . . . . 46 . HA . . rr_1awx 2 142 1 . . 1 1 47 47 ARG HB2 H . . . 1 1 47 47 ARG H H . . . . . 3.5 0.0 3.5 . . . . . A . 47 ARG HB2 . . A . 47 ARG H . . . 47 . HB2 . . . . . 47 . HN . . rr_1awx 2 143 1 . . 1 1 47 47 ARG HA H . . . 1 1 47 47 ARG HB3 H . . . . . 2.8 0.0 2.8 . . . . . A . 47 ARG HA . . A . 47 ARG HB3 . . . 47 . HA . . . . . 47 . HB1 . . rr_1awx 2 144 1 OR . 1 1 47 47 ARG HA H . . . 1 1 47 47 ARG HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 47 ARG HA . . A . 47 ARG HG2 . . . 47 . HA . . . . . 47 . HG# . . rr_1awx 2 144 2 OR . 1 1 47 47 ARG HA H . . . 1 1 47 47 ARG HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 47 ARG HA . . A . 47 ARG HG3 . . . 47 . HA . . . . . 47 . HG# . . rr_1awx 2 145 1 OR . 1 1 47 47 ARG HE H . . . 1 1 47 47 ARG HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG HE . . A . 47 ARG HG2 . . . 47 . HE . . . . . 47 . HG# . . rr_1awx 2 145 2 OR . 1 1 47 47 ARG HG3 H . . . 1 1 47 47 ARG HE H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG HG3 . . A . 47 ARG HE . . . 47 . HG# . . . . . 47 . HE . . rr_1awx 2 146 1 OR . 1 1 47 47 ARG HE H . . . 1 1 47 47 ARG HD2 H . . . . . 3.5 0.0 4.2 . . . . . A . 47 ARG HE . . A . 47 ARG HD2 . . . 47 . HE . . . . . 47 . HD# . . rr_1awx 2 146 2 OR . 1 1 47 47 ARG HE H . . . 1 1 47 47 ARG HD3 H . . . . . 3.5 0.0 4.2 . . . . . A . 47 ARG HE . . A . 47 ARG HD3 . . . 47 . HE . . . . . 47 . HD# . . rr_1awx 2 147 1 . . 1 1 48 48 ASP H H . . . 1 1 47 47 ARG HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 48 ASP H . . A . 47 ARG HB3 . . . 48 . HN . . . . . 47 . HB1 . . rr_1awx 2 148 1 . . 1 1 47 47 ARG HA H . . . 1 1 53 53 GLU HA H . . . . . 2.8 0.0 2.8 . . . . . A . 47 ARG HA . . A . 53 GLU HA . . . 47 . HA . . . . . 53 . HA . . rr_1awx 2 149 1 OR . 1 1 47 47 ARG HA H . . . 1 1 53 53 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG HA . . A . 53 GLU HG2 . . . 47 . HA . . . . . 53 . HG# . . rr_1awx 2 149 2 OR . 1 1 47 47 ARG HA H . . . 1 1 53 53 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG HA . . A . 53 GLU HG3 . . . 47 . HA . . . . . 53 . HG# . . rr_1awx 2 150 1 OR . 1 1 47 47 ARG HE H . . . 1 1 53 53 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG HE . . A . 53 GLU HG2 . . . 47 . HE . . . . . 53 . HG# . . rr_1awx 2 150 2 OR . 1 1 47 47 ARG HE H . . . 1 1 53 53 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG HE . . A . 53 GLU HG3 . . . 47 . HE . . . . . 53 . HG# . . rr_1awx 2 151 1 OR . 1 1 47 47 ARG HE H . . . 1 1 53 53 GLU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG HE . . A . 53 GLU HB2 . . . 47 . HE . . . . . 53 . HB# . . rr_1awx 2 151 2 OR . 1 1 47 47 ARG HE H . . . 1 1 53 53 GLU HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 47 ARG HE . . A . 53 GLU HB3 . . . 47 . HE . . . . . 53 . HB# . . rr_1awx 2 152 1 . . 1 1 54 54 GLY H H . . . 1 1 47 47 ARG HA H . . . . . 3.5 0.0 3.5 . . . . . A . 54 GLY H . . A . 47 ARG HA . . . 54 . HN . . . . . 47 . HA . . rr_1awx 2 153 1 . . 1 1 48 48 ASP HA H . . . 1 1 48 48 ASP HB2 H . . . . . 2.8 0.0 2.8 . . . . . A . 48 ASP HA . . A . 48 ASP HB2 . . . 48 . HA . . . . . 48 . HB2 . . rr_1awx 2 154 1 . . 1 1 48 48 ASP H H . . . 1 1 53 53 GLU HA H . . . . . 5.0 0.0 5.0 . . . . . A . 48 ASP H . . A . 53 GLU HA . . . 48 . HN . . . . . 53 . HA . . rr_1awx 2 155 1 . . 1 1 49 49 LYS H H . . . 1 1 50 50 ASN H H . . . . . 3.5 0.0 3.5 . . . . . A . 49 LYS H . . A . 50 ASN H . . . 49 . HN . . . . . 50 . HN . . rr_1awx 2 156 1 . . 1 1 50 50 ASN HA H . . . 1 1 50 50 ASN HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 50 ASN HA . . A . 50 ASN HB3 . . . 50 . HA . . . . . 50 . HB1 . . rr_1awx 2 157 1 . . 1 1 50 50 ASN H H . . . 1 1 51 51 GLY H H . . . . . 2.8 0.0 2.8 . . . . . A . 50 ASN H . . A . 51 GLY H . . . 50 . HN . . . . . 51 . HN . . rr_1awx 2 158 1 . . 1 1 50 50 ASN H H . . . 1 1 52 52 GLN H H . . . . . 3.5 0.0 3.5 . . . . . A . 50 ASN H . . A . 52 GLN H . . . 50 . HN . . . . . 52 . HN . . rr_1awx 2 159 1 . . 1 1 52 52 GLN H H . . . 1 1 51 51 GLY H H . . . . . 2.8 0.0 2.8 . . . . . A . 52 GLN H . . A . 51 GLY H . . . 52 . HN . . . . . 51 . HN . . rr_1awx 2 160 1 OR . 1 1 53 53 GLU HA H . . . 1 1 53 53 GLU HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 53 GLU HA . . A . 53 GLU HG2 . . . 53 . HA . . . . . 53 . HG# . . rr_1awx 2 160 2 OR . 1 1 53 53 GLU HA H . . . 1 1 53 53 GLU HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 53 GLU HA . . A . 53 GLU HG3 . . . 53 . HA . . . . . 53 . HG# . . rr_1awx 2 161 1 OR . 1 1 53 53 GLU HA H . . . 1 1 53 53 GLU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 53 GLU HA . . A . 53 GLU HB2 . . . 53 . HA . . . . . 53 . HB# . . rr_1awx 2 161 2 OR . 1 1 53 53 GLU HA H . . . 1 1 53 53 GLU HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 53 GLU HA . . A . 53 GLU HB3 . . . 53 . HA . . . . . 53 . HB# . . rr_1awx 2 162 1 . . 1 1 55 55 TYR HA H . . . 1 1 55 55 TYR HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 55 TYR HA . . A . 55 TYR HB2 . . . 55 . HA . . . . . 55 . HB2 . . rr_1awx 2 163 1 . . 1 1 55 55 TYR QD H . . . 1 1 55 55 TYR HB3 H . . . . . 2.8 0.0 4.8 . . . . . A . 55 TYR QD . . A . 55 TYR HB3 . . . 55 . HD# . . . . . 55 . HB1 . . rr_1awx 2 164 1 . . 1 1 56 56 ILE H H . . . 1 1 55 55 TYR HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 56 ILE H . . A . 55 TYR HB3 . . . 56 . HN . . . . . 55 . HB1 . . rr_1awx 2 165 1 . . 1 1 56 56 ILE HB H . . . 1 1 56 56 ILE H H . . . . . 3.5 0.0 3.5 . . . . . A . 56 ILE HB . . A . 56 ILE H . . . 56 . HB . . . . . 56 . HN . . rr_1awx 2 166 1 . . 1 1 56 56 ILE MD H . . . 1 1 56 56 ILE HA H . . . . . 5.0 0.0 5.4 . . . . . A . 56 ILE MD . . A . 56 ILE HA . . . 56 . HD1# . . . . . 56 . HA . . rr_1awx 2 167 1 OR . 1 1 58 58 SER HA H . . . 1 1 58 58 SER HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 58 SER HA . . A . 58 SER HB2 . . . 58 . HA . . . . . 58 . HB# . . rr_1awx 2 167 2 OR . 1 1 58 58 SER HB3 H . . . 1 1 58 58 SER HA H . . . . . 3.5 0.0 4.2 . . . . . A . 58 SER HB3 . . A . 58 SER HA . . . 58 . HB# . . . . . 58 . HA . . rr_1awx 2 168 1 OR . 1 1 59 59 ASN HB3 H . . . 1 1 59 59 ASN HD22 H . . . . . 5.0 0.0 5.7 . . . . . A . 59 ASN HB3 . . A . 59 ASN HD22 . . . 59 . HB1 . . . . . 59 . HD2# . . rr_1awx 2 168 2 OR . 1 1 59 59 ASN HB3 H . . . 1 1 59 59 ASN HD21 H . . . . . 5.0 0.0 5.7 . . . . . A . 59 ASN HB3 . . A . 59 ASN HD21 . . . 59 . HB1 . . . . . 59 . HD2# . . rr_1awx 2 169 1 . . 1 1 61 61 VAL H H . . . 1 1 60 60 TYR H H . . . . . 2.8 0.0 2.8 . . . . . A . 61 VAL H . . A . 60 TYR H . . . 61 . HN . . . . . 60 . HN . . rr_1awx 2 170 1 OR . 1 1 60 60 TYR HB2 H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 60 TYR HB2 . . A . 61 VAL MG1 . . . 60 . HB2 . . . . . 61 . HG# . . rr_1awx 2 170 2 OR . 1 1 61 61 VAL MG2 H . . . 1 1 60 60 TYR HB2 H . . . . . 5.0 0.0 6.5 . . . . . A . 61 VAL MG2 . . A . 60 TYR HB2 . . . 61 . HG# . . . . . 60 . HB2 . . rr_1awx 2 171 1 . . 1 1 61 61 VAL HA H . . . 1 1 61 61 VAL H H . . . . . 3.5 0.0 3.5 . . . . . A . 61 VAL HA . . A . 61 VAL H . . . 61 . HA . . . . . 61 . HN . . rr_1awx 2 172 1 . . 1 1 61 61 VAL HA H . . . 1 1 61 61 VAL HB H . . . . . 2.8 0.0 2.8 . . . . . A . 61 VAL HA . . A . 61 VAL HB . . . 61 . HA . . . . . 61 . HB . . rr_1awx 2 173 1 OR . 1 1 61 61 VAL HA H . . . 1 1 61 61 VAL MG1 H . . . . . 3.5 0.0 5.0 . . . . . A . 61 VAL HA . . A . 61 VAL MG1 . . . 61 . HA . . . . . 61 . HG# . . rr_1awx 2 173 2 OR . 1 1 61 61 VAL HA H . . . 1 1 61 61 VAL MG2 H . . . . . 3.5 0.0 5.0 . . . . . A . 61 VAL HA . . A . 61 VAL MG2 . . . 61 . HA . . . . . 61 . HG# . . rr_1awx 2 174 1 OR . 1 1 61 61 VAL HB H . . . 1 1 61 61 VAL MG1 H . . . . . 2.8 0.0 4.3 . . . . . A . 61 VAL HB . . A . 61 VAL MG1 . . . 61 . HB . . . . . 61 . HG# . . rr_1awx 2 174 2 OR . 1 1 61 61 VAL MG2 H . . . 1 1 61 61 VAL HB H . . . . . 2.8 0.0 4.3 . . . . . A . 61 VAL MG2 . . A . 61 VAL HB . . . 61 . HG# . . . . . 61 . HB . . rr_1awx 2 175 1 . . 1 1 62 62 THR HB H . . . 1 1 62 62 THR MG H . . . . . 2.8 0.0 3.2 . . . . . A . 62 THR HB . . A . 62 THR MG . . . 62 . HB . . . . . 62 . HG2# . . rr_1awx 2 176 1 . . 1 1 64 64 ALA H H . . . 1 1 63 63 GLU H H . . . . . 5.0 0.0 5.0 . . . . . A . 64 ALA H . . A . 63 GLU H . . . 64 . HN . . . . . 63 . HN . . rr_1awx 2 177 1 . . 1 1 64 64 ALA H H . . . 1 1 65 65 GLU H H . . . . . 5.0 0.0 5.0 . . . . . A . 64 ALA H . . A . 65 GLU H . . . 64 . HN . . . . . 65 . HN . . rr_1awx 2 178 1 . . 1 1 65 65 GLU HA H . . . 1 1 66 66 ASP H H . . . . . 5.0 0.0 5.0 . . . . . A . 65 GLU HA . . A . 66 ASP H . . . 65 . HA . . . . . 66 . HN . . rr_1awx 2 179 1 OR . 1 1 66 66 ASP H H . . . 1 1 66 66 ASP HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 66 ASP H . . A . 66 ASP HB2 . . . 66 . HN . . . . . 66 . HB# . . rr_1awx 2 179 2 OR . 1 1 66 66 ASP H H . . . 1 1 66 66 ASP HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 66 ASP H . . A . 66 ASP HB3 . . . 66 . HN . . . . . 66 . HB# . . rr_1awx 2 180 1 . . 1 1 5 5 THR MG H . . . 1 1 5 5 THR HB H . . . . . 5.0 0.0 5.4 . . . . . A . 5 THR MG . . A . 5 THR HB . . . 5 . HG2# . . . . . 5 . HB . . rr_1awx 2 181 1 OR . 1 1 5 5 THR HA H . . . 1 1 8 8 LEU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 5 THR HA . . A . 8 LEU HB2 . . . 5 . HA . . . . . 8 . HB# . . rr_1awx 2 181 2 OR . 1 1 5 5 THR HA H . . . 1 1 8 8 LEU HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 5 THR HA . . A . 8 LEU HB3 . . . 5 . HA . . . . . 8 . HB# . . rr_1awx 2 182 1 OR . 1 1 5 5 THR HA H . . . 1 1 8 8 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 5 THR HA . . A . 8 LEU MD1 . . . 5 . HA . . . . . 8 . HD# . . rr_1awx 2 182 2 OR . 1 1 5 5 THR HA H . . . 1 1 8 8 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 5 THR HA . . A . 8 LEU MD2 . . . 5 . HA . . . . . 8 . HD# . . rr_1awx 2 183 1 . . 1 1 7 7 GLU HA H . . . 1 1 7 7 GLU HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 7 GLU HA . . A . 7 GLU HB2 . . . 7 . HA . . . . . 7 . HB2 . . rr_1awx 2 184 1 OR . 1 1 7 7 GLU HA H . . . 1 1 7 7 GLU HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 7 GLU HA . . A . 7 GLU HG2 . . . 7 . HA . . . . . 7 . HG# . . rr_1awx 2 184 2 OR . 1 1 7 7 GLU HA H . . . 1 1 7 7 GLU HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 7 GLU HA . . A . 7 GLU HG3 . . . 7 . HA . . . . . 7 . HG# . . rr_1awx 2 185 1 OR . 1 1 8 8 LEU HB3 H . . . 1 1 8 8 LEU MD1 H . . . . . 2.8 0.0 5.0 . . . . . A . 8 LEU HB3 . . A . 8 LEU MD1 . . . 8 . HB# . . . . . 8 . HD# . . rr_1awx 2 185 2 OR . 1 1 8 8 LEU HB2 H . . . 1 1 8 8 LEU MD1 H . . . . . 2.8 0.0 5.0 . . . . . A . 8 LEU HB2 . . A . 8 LEU MD1 . . . 8 . HB# . . . . . 8 . HD# . . rr_1awx 2 185 3 OR . 1 1 8 8 LEU MD2 H . . . 1 1 8 8 LEU HB2 H . . . . . 2.8 0.0 5.0 . . . . . A . 8 LEU MD2 . . A . 8 LEU HB2 . . . 8 . HD# . . . . . 8 . HB# . . rr_1awx 2 185 4 OR . 1 1 8 8 LEU HB3 H . . . 1 1 8 8 LEU MD2 H . . . . . 2.8 0.0 5.0 . . . . . A . 8 LEU HB3 . . A . 8 LEU MD2 . . . 8 . HB# . . . . . 8 . HD# . . rr_1awx 2 186 1 OR . 1 1 35 35 ILE H H . . . 1 1 8 8 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 35 ILE H . . A . 8 LEU MD1 . . . 35 . HN . . . . . 8 . HD# . . rr_1awx 2 186 2 OR . 1 1 8 8 LEU MD2 H . . . 1 1 35 35 ILE H H . . . . . 5.0 0.0 6.5 . . . . . A . 8 LEU MD2 . . A . 35 ILE H . . . 8 . HD# . . . . . 35 . HN . . rr_1awx 2 187 1 OR . 1 1 36 36 LEU HA H . . . 1 1 8 8 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 36 LEU HA . . A . 8 LEU MD1 . . . 36 . HA . . . . . 8 . HD# . . rr_1awx 2 187 2 OR . 1 1 8 8 LEU MD2 H . . . 1 1 36 36 LEU HA H . . . . . 5.0 0.0 6.5 . . . . . A . 8 LEU MD2 . . A . 36 LEU HA . . . 8 . HD# . . . . . 36 . HA . . rr_1awx 2 188 1 OR . 1 1 9 9 LYS HE2 H . . . 1 1 9 9 LYS HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 9 LYS HE2 . . A . 9 LYS HG2 . . . 9 . HE# . . . . . 9 . HG# . . rr_1awx 2 188 2 OR . 1 1 9 9 LYS HE3 H . . . 1 1 9 9 LYS HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 9 LYS HE3 . . A . 9 LYS HG2 . . . 9 . HE# . . . . . 9 . HG# . . rr_1awx 2 188 3 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HE2 H . . . . . 3.5 0.0 4.9 . . . . . A . 9 LYS HG3 . . A . 9 LYS HE2 . . . 9 . HG# . . . . . 9 . HE# . . rr_1awx 2 188 4 OR . 1 1 9 9 LYS HG3 H . . . 1 1 9 9 LYS HE3 H . . . . . 3.5 0.0 4.9 . . . . . A . 9 LYS HG3 . . A . 9 LYS HE3 . . . 9 . HG# . . . . . 9 . HE# . . rr_1awx 2 189 1 OR . 1 1 9 9 LYS HG3 H . . . 1 1 10 10 LYS HE2 H . . . . . 5.0 0.0 6.4 . . . . . A . 9 LYS HG3 . . A . 10 LYS HE2 . . . 9 . HG# . . . . . 10 . HE# . . rr_1awx 2 189 2 OR . 1 1 9 9 LYS HG2 H . . . 1 1 10 10 LYS HE2 H . . . . . 5.0 0.0 6.4 . . . . . A . 9 LYS HG2 . . A . 10 LYS HE2 . . . 9 . HG# . . . . . 10 . HE# . . rr_1awx 2 189 3 OR . 1 1 10 10 LYS HE3 H . . . 1 1 9 9 LYS HG2 H . . . . . 5.0 0.0 6.4 . . . . . A . 10 LYS HE3 . . A . 9 LYS HG2 . . . 10 . HE# . . . . . 9 . HG# . . rr_1awx 2 189 4 OR . 1 1 9 9 LYS HG3 H . . . 1 1 10 10 LYS HE3 H . . . . . 5.0 0.0 6.4 . . . . . A . 9 LYS HG3 . . A . 10 LYS HE3 . . . 9 . HG# . . . . . 10 . HE# . . rr_1awx 2 190 1 OR . 1 1 10 10 LYS HE3 H . . . 1 1 10 10 LYS HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 10 LYS HE3 . . A . 10 LYS HG2 . . . 10 . HE# . . . . . 10 . HG# . . rr_1awx 2 190 2 OR . 1 1 10 10 LYS HE2 H . . . 1 1 10 10 LYS HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 10 LYS HE2 . . A . 10 LYS HG2 . . . 10 . HE# . . . . . 10 . HG# . . rr_1awx 2 190 3 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HE2 H . . . . . 3.5 0.0 4.9 . . . . . A . 10 LYS HG3 . . A . 10 LYS HE2 . . . 10 . HG# . . . . . 10 . HE# . . rr_1awx 2 190 4 OR . 1 1 10 10 LYS HG3 H . . . 1 1 10 10 LYS HE3 H . . . . . 3.5 0.0 4.9 . . . . . A . 10 LYS HG3 . . A . 10 LYS HE3 . . . 10 . HG# . . . . . 10 . HE# . . rr_1awx 2 191 1 OR . 1 1 33 33 TYR HB2 H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 33 TYR HB2 . . A . 11 VAL MG1 . . . 33 . HB2 . . . . . 11 . HG# . . rr_1awx 2 191 2 OR . 1 1 11 11 VAL MG2 H . . . 1 1 33 33 TYR HB2 H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL MG2 . . A . 33 TYR HB2 . . . 11 . HG# . . . . . 33 . HB2 . . rr_1awx 2 192 1 OR . 1 1 34 34 PHE HA H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 34 PHE HA . . A . 11 VAL MG1 . . . 34 . HA . . . . . 11 . HG# . . rr_1awx 2 192 2 OR . 1 1 11 11 VAL MG2 H . . . 1 1 34 34 PHE HA H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL MG2 . . A . 34 PHE HA . . . 11 . HG# . . . . . 34 . HA . . rr_1awx 2 193 1 . . 1 1 11 11 VAL HA H . . . 1 1 61 61 VAL HB H . . . . . 5.0 0.0 5.0 . . . . . A . 11 VAL HA . . A . 61 VAL HB . . . 11 . HA . . . . . 61 . HB . . rr_1awx 2 194 1 OR . 1 1 11 11 VAL HA H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL HA . . A . 61 VAL MG1 . . . 11 . HA . . . . . 61 . HG# . . rr_1awx 2 194 2 OR . 1 1 11 11 VAL HA H . . . 1 1 61 61 VAL MG2 H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL HA . . A . 61 VAL MG2 . . . 11 . HA . . . . . 61 . HG# . . rr_1awx 2 195 1 OR . 1 1 62 62 THR H H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 62 THR H . . A . 11 VAL MG1 . . . 62 . HN . . . . . 11 . HG# . . rr_1awx 2 195 2 OR . 1 1 11 11 VAL MG2 H . . . 1 1 62 62 THR H H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL MG2 . . A . 62 THR H . . . 11 . HG# . . . . . 62 . HN . . rr_1awx 2 196 1 OR . 1 1 63 63 GLU H H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 63 GLU H . . A . 11 VAL MG1 . . . 63 . HN . . . . . 11 . HG# . . rr_1awx 2 196 2 OR . 1 1 11 11 VAL MG2 H . . . 1 1 63 63 GLU H H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL MG2 . . A . 63 GLU H . . . 11 . HG# . . . . . 63 . HN . . rr_1awx 2 197 1 OR . 1 1 63 63 GLU HA H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 63 GLU HA . . A . 11 VAL MG1 . . . 63 . HA . . . . . 11 . HG# . . rr_1awx 2 197 2 OR . 1 1 11 11 VAL MG2 H . . . 1 1 63 63 GLU HA H . . . . . 5.0 0.0 6.5 . . . . . A . 11 VAL MG2 . . A . 63 GLU HA . . . 11 . HG# . . . . . 63 . HA . . rr_1awx 2 198 1 . . 1 1 11 11 VAL H H . . . 1 1 64 64 ALA HA H . . . . . 3.5 0.0 3.5 . . . . . A . 11 VAL H . . A . 64 ALA HA . . . 11 . HN . . . . . 64 . HA . . rr_1awx 2 199 1 . . 1 1 12 12 VAL HB H . . . 1 1 12 12 VAL MG1 H . . . . . 3.5 0.0 3.9 . . . . . A . 12 VAL HB . . A . 12 VAL MG1 . . . 12 . HB . . . . . 12 . HG1# . . rr_1awx 2 200 1 . . 1 1 12 12 VAL HB H . . . 1 1 12 12 VAL MG2 H . . . . . 3.5 0.0 3.9 . . . . . A . 12 VAL HB . . A . 12 VAL MG2 . . . 12 . HB . . . . . 12 . HG2# . . rr_1awx 2 201 1 OR . 1 1 12 12 VAL MG1 H . . . 1 1 30 30 GLY HA2 H . . . . . 5.0 0.0 6.1 . . . . . A . 12 VAL MG1 . . A . 30 GLY HA2 . . . 12 . HG1# . . . . . 30 . HA# . . rr_1awx 2 201 2 OR . 1 1 12 12 VAL MG1 H . . . 1 1 30 30 GLY HA3 H . . . . . 5.0 0.0 6.1 . . . . . A . 12 VAL MG1 . . A . 30 GLY HA3 . . . 12 . HG1# . . . . . 30 . HA# . . rr_1awx 2 202 1 OR . 1 1 12 12 VAL MG2 H . . . 1 1 30 30 GLY HA2 H . . . . . 5.0 0.0 6.1 . . . . . A . 12 VAL MG2 . . A . 30 GLY HA2 . . . 12 . HG2# . . . . . 30 . HA# . . rr_1awx 2 202 2 OR . 1 1 12 12 VAL MG2 H . . . 1 1 30 30 GLY HA3 H . . . . . 5.0 0.0 6.1 . . . . . A . 12 VAL MG2 . . A . 30 GLY HA3 . . . 12 . HG2# . . . . . 30 . HA# . . rr_1awx 2 203 1 . . 1 1 12 12 VAL HA H . . . 1 1 32 32 GLU HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 12 VAL HA . . A . 32 GLU HB3 . . . 12 . HA . . . . . 32 . HB1 . . rr_1awx 2 204 1 . . 1 1 12 12 VAL MG1 H . . . 1 1 32 32 GLU HA H . . . . . 5.0 0.0 5.4 . . . . . A . 12 VAL MG1 . . A . 32 GLU HA . . . 12 . HG1# . . . . . 32 . HA . . rr_1awx 2 205 1 . . 1 1 12 12 VAL MG2 H . . . 1 1 32 32 GLU HA H . . . . . 5.0 0.0 5.4 . . . . . A . 12 VAL MG2 . . A . 32 GLU HA . . . 12 . HG2# . . . . . 32 . HA . . rr_1awx 2 206 1 OR . 1 1 12 12 VAL MG1 H . . . 1 1 32 32 GLU HG2 H . . . . . 3.5 0.0 4.6 . . . . . A . 12 VAL MG1 . . A . 32 GLU HG2 . . . 12 . HG1# . . . . . 32 . HG# . . rr_1awx 2 206 2 OR . 1 1 12 12 VAL MG1 H . . . 1 1 32 32 GLU HG3 H . . . . . 3.5 0.0 4.6 . . . . . A . 12 VAL MG1 . . A . 32 GLU HG3 . . . 12 . HG1# . . . . . 32 . HG# . . rr_1awx 2 207 1 OR . 1 1 12 12 VAL MG2 H . . . 1 1 32 32 GLU HG2 H . . . . . 3.5 0.0 4.6 . . . . . A . 12 VAL MG2 . . A . 32 GLU HG2 . . . 12 . HG2# . . . . . 32 . HG# . . rr_1awx 2 207 2 OR . 1 1 12 12 VAL MG2 H . . . 1 1 32 32 GLU HG3 H . . . . . 3.5 0.0 4.6 . . . . . A . 12 VAL MG2 . . A . 32 GLU HG3 . . . 12 . HG2# . . . . . 32 . HG# . . rr_1awx 2 208 1 . . 1 1 12 12 VAL HA H . . . 1 1 33 33 TYR QD H . . . . . 3.5 0.0 5.5 . . . . . A . 12 VAL HA . . A . 33 TYR QD . . . 12 . HA . . . . . 33 . HD# . . rr_1awx 2 209 1 . . 1 1 13 13 ALA H H . . . 1 1 33 33 TYR QD H . . . . . 5.0 0.0 7.0 . . . . . A . 13 ALA H . . A . 33 TYR QD . . . 13 . HN . . . . . 33 . HD# . . rr_1awx 2 210 1 OR . 1 1 13 13 ALA H H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 13 ALA H . . A . 61 VAL MG1 . . . 13 . HN . . . . . 61 . HG# . . rr_1awx 2 210 2 OR . 1 1 13 13 ALA H H . . . 1 1 61 61 VAL MG2 H . . . . . 5.0 0.0 6.5 . . . . . A . 13 ALA H . . A . 61 VAL MG2 . . . 13 . HN . . . . . 61 . HG# . . rr_1awx 2 211 1 . . 1 1 13 13 ALA MB H . . . 1 1 61 61 VAL HA H . . . . . 5.0 0.0 5.4 . . . . . A . 13 ALA MB . . A . 61 VAL HA . . . 13 . HB# . . . . . 61 . HA . . rr_1awx 2 212 1 OR . 1 1 62 62 THR HB H . . . 1 1 14 14 LEU MD1 H . . . . . 3.5 0.0 5.0 . . . . . A . 62 THR HB . . A . 14 LEU MD1 . . . 62 . HB . . . . . 14 . HD# . . rr_1awx 2 212 2 OR . 1 1 14 14 LEU MD2 H . . . 1 1 62 62 THR HB H . . . . . 3.5 0.0 5.0 . . . . . A . 14 LEU MD2 . . A . 62 THR HB . . . 14 . HD# . . . . . 62 . HB . . rr_1awx 2 213 1 OR . 1 1 62 62 THR MG H . . . 1 1 14 14 LEU MD1 H . . . . . 3.5 0.0 5.4 . . . . . A . 62 THR MG . . A . 14 LEU MD1 . . . 62 . HG2# . . . . . 14 . HD# . . rr_1awx 2 213 2 OR . 1 1 14 14 LEU MD2 H . . . 1 1 62 62 THR MG H . . . . . 3.5 0.0 5.4 . . . . . A . 14 LEU MD2 . . A . 62 THR MG . . . 14 . HD# . . . . . 62 . HG2# . . rr_1awx 2 214 1 . . 1 1 17 17 TYR QD H . . . 1 1 17 17 TYR HA H . . . . . 3.5 0.0 5.5 . . . . . A . 17 TYR QD . . A . 17 TYR HA . . . 17 . HD# . . . . . 17 . HA . . rr_1awx 2 215 1 OR . 1 1 27 27 LEU HB2 H . . . 1 1 17 17 TYR HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 27 LEU HB2 . . A . 17 TYR HB2 . . . 27 . HB2 . . . . . 17 . HB# . . rr_1awx 2 215 2 OR . 1 1 17 17 TYR HB3 H . . . 1 1 27 27 LEU HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 17 TYR HB3 . . A . 27 LEU HB2 . . . 17 . HB# . . . . . 27 . HB2 . . rr_1awx 2 216 1 OR . 1 1 17 17 TYR HB2 H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 17 TYR HB2 . . A . 27 LEU MD1 . . . 17 . HB# . . . . . 27 . HD# . . rr_1awx 2 216 2 OR . 1 1 17 17 TYR HB3 H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 17 TYR HB3 . . A . 27 LEU MD1 . . . 17 . HB# . . . . . 27 . HD# . . rr_1awx 2 216 3 OR . 1 1 27 27 LEU MD2 H . . . 1 1 17 17 TYR HB2 H . . . . . 5.0 0.0 7.2 . . . . . A . 27 LEU MD2 . . A . 17 TYR HB2 . . . 27 . HD# . . . . . 17 . HB# . . rr_1awx 2 216 4 OR . 1 1 17 17 TYR HB3 H . . . 1 1 27 27 LEU MD2 H . . . . . 5.0 0.0 7.2 . . . . . A . 17 TYR HB3 . . A . 27 LEU MD2 . . . 17 . HB# . . . . . 27 . HD# . . rr_1awx 2 217 1 OR . 1 1 18 18 MET HA H . . . 1 1 19 19 PRO HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 18 MET HA . . A . 19 PRO HG2 . . . 18 . HA . . . . . 19 . HG# . . rr_1awx 2 217 2 OR . 1 1 18 18 MET HA H . . . 1 1 19 19 PRO HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 18 MET HA . . A . 19 PRO HG3 . . . 18 . HA . . . . . 19 . HG# . . rr_1awx 2 218 1 OR . 1 1 18 18 MET HA H . . . 1 1 26 26 GLN HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 18 MET HA . . A . 26 GLN HG2 . . . 18 . HA . . . . . 26 . HG# . . rr_1awx 2 218 2 OR . 1 1 26 26 GLN HG3 H . . . 1 1 18 18 MET HA H . . . . . 5.0 0.0 5.7 . . . . . A . 26 GLN HG3 . . A . 18 MET HA . . . 26 . HG# . . . . . 18 . HA . . rr_1awx 2 219 1 OR . 1 1 20 20 MET H H . . . 1 1 19 19 PRO HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 20 MET H . . A . 19 PRO HB2 . . . 20 . HN . . . . . 19 . HB# . . rr_1awx 2 219 2 OR . 1 1 20 20 MET H H . . . 1 1 19 19 PRO HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 20 MET H . . A . 19 PRO HB3 . . . 20 . HN . . . . . 19 . HB# . . rr_1awx 2 220 1 OR . 1 1 22 22 ALA HA H . . . 1 1 19 19 PRO HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 22 ALA HA . . A . 19 PRO HB2 . . . 22 . HA . . . . . 19 . HB# . . rr_1awx 2 220 2 OR . 1 1 19 19 PRO HB3 H . . . 1 1 22 22 ALA HA H . . . . . 3.5 0.0 4.2 . . . . . A . 19 PRO HB3 . . A . 22 ALA HA . . . 19 . HB# . . . . . 22 . HA . . rr_1awx 2 221 1 OR . 1 1 22 22 ALA HA H . . . 1 1 19 19 PRO HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 22 ALA HA . . A . 19 PRO HG2 . . . 22 . HA . . . . . 19 . HG# . . rr_1awx 2 221 2 OR . 1 1 22 22 ALA HA H . . . 1 1 19 19 PRO HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 22 ALA HA . . A . 19 PRO HG3 . . . 22 . HA . . . . . 19 . HG# . . rr_1awx 2 222 1 OR . 1 1 19 19 PRO HA H . . . 1 1 24 24 ASP HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 19 PRO HA . . A . 24 ASP HB2 . . . 19 . HA . . . . . 24 . HB# . . rr_1awx 2 222 2 OR . 1 1 19 19 PRO HA H . . . 1 1 24 24 ASP HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 19 PRO HA . . A . 24 ASP HB3 . . . 19 . HA . . . . . 24 . HB# . . rr_1awx 2 223 1 OR . 1 1 19 19 PRO HB3 H . . . 1 1 24 24 ASP HB2 H . . . . . 3.5 0.0 4.9 . . . . . A . 19 PRO HB3 . . A . 24 ASP HB2 . . . 19 . HB# . . . . . 24 . HB# . . rr_1awx 2 223 2 OR . 1 1 19 19 PRO HB2 H . . . 1 1 24 24 ASP HB2 H . . . . . 3.5 0.0 4.9 . . . . . A . 19 PRO HB2 . . A . 24 ASP HB2 . . . 19 . HB# . . . . . 24 . HB# . . rr_1awx 2 223 3 OR . 1 1 24 24 ASP HB3 H . . . 1 1 19 19 PRO HB2 H . . . . . 3.5 0.0 4.9 . . . . . A . 24 ASP HB3 . . A . 19 PRO HB2 . . . 24 . HB# . . . . . 19 . HB# . . rr_1awx 2 223 4 OR . 1 1 19 19 PRO HB3 H . . . 1 1 24 24 ASP HB3 H . . . . . 3.5 0.0 4.9 . . . . . A . 19 PRO HB3 . . A . 24 ASP HB3 . . . 19 . HB# . . . . . 24 . HB# . . rr_1awx 2 224 1 OR . 1 1 22 22 ALA H H . . . 1 1 21 21 ASN HB2 H . . . . . 5.0 0.0 5.7 . . . . . A . 22 ALA H . . A . 21 ASN HB2 . . . 22 . HN . . . . . 21 . HB# . . rr_1awx 2 224 2 OR . 1 1 21 21 ASN HB3 H . . . 1 1 22 22 ALA H H . . . . . 5.0 0.0 5.7 . . . . . A . 21 ASN HB3 . . A . 22 ALA H . . . 21 . HB# . . . . . 22 . HN . . rr_1awx 2 225 1 . . 1 1 23 23 ASN HA H . . . 1 1 23 23 ASN HB2 H . . . . . 2.8 0.0 2.8 . . . . . A . 23 ASN HA . . A . 23 ASN HB2 . . . 23 . HA . . . . . 23 . HB2 . . rr_1awx 2 226 1 . . 1 1 23 23 ASN HB3 H . . . 1 1 24 24 ASP HA H . . . . . 3.5 0.0 3.5 . . . . . A . 23 ASN HB3 . . A . 24 ASP HA . . . 23 . HB1 . . . . . 24 . HA . . rr_1awx 2 227 1 OR . 1 1 24 24 ASP HA H . . . 1 1 55 55 TYR HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 24 ASP HA . . A . 55 TYR HB2 . . . 24 . HA . . . . . 55 . HB# . . rr_1awx 2 227 2 OR . 1 1 24 24 ASP HA H . . . 1 1 55 55 TYR HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 24 ASP HA . . A . 55 TYR HB3 . . . 24 . HA . . . . . 55 . HB# . . rr_1awx 2 228 1 OR . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU HB2 H . . . . . 2.8 0.0 3.5 . . . . . A . 25 LEU HA . . A . 25 LEU HB2 . . . 25 . HA . . . . . 25 . HB# . . rr_1awx 2 228 2 OR . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU HB3 H . . . . . 2.8 0.0 3.5 . . . . . A . 25 LEU HA . . A . 25 LEU HB3 . . . 25 . HA . . . . . 25 . HB# . . rr_1awx 2 229 1 OR . 1 1 46 46 ALA H H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 46 ALA H . . A . 25 LEU MD1 . . . 46 . HN . . . . . 25 . HD# . . rr_1awx 2 229 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 46 46 ALA H H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 46 ALA H . . . 25 . HD# . . . . . 46 . HN . . rr_1awx 2 230 1 OR . 1 1 46 46 ALA HA H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 46 ALA HA . . A . 25 LEU MD1 . . . 46 . HA . . . . . 25 . HD# . . rr_1awx 2 230 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 46 46 ALA HA H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 46 ALA HA . . . 25 . HD# . . . . . 46 . HA . . rr_1awx 2 231 1 OR . 1 1 46 46 ALA MB H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.9 . . . . . A . 46 ALA MB . . A . 25 LEU MD1 . . . 46 . HB# . . . . . 25 . HD# . . rr_1awx 2 231 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 46 46 ALA MB H . . . . . 5.0 0.0 6.9 . . . . . A . 25 LEU MD2 . . A . 46 ALA MB . . . 25 . HD# . . . . . 46 . HB# . . rr_1awx 2 232 1 OR . 1 1 47 47 ARG HA H . . . 1 1 25 25 LEU MD1 H . . . . . 3.5 0.0 5.0 . . . . . A . 47 ARG HA . . A . 25 LEU MD1 . . . 47 . HA . . . . . 25 . HD# . . rr_1awx 2 232 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 47 47 ARG HA H . . . . . 3.5 0.0 5.0 . . . . . A . 25 LEU MD2 . . A . 47 ARG HA . . . 25 . HD# . . . . . 47 . HA . . rr_1awx 2 233 1 OR . 1 1 47 47 ARG HB3 H . . . 1 1 25 25 LEU MD1 H . . . . . 3.5 0.0 5.0 . . . . . A . 47 ARG HB3 . . A . 25 LEU MD1 . . . 47 . HB1 . . . . . 25 . HD# . . rr_1awx 2 233 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 47 47 ARG HB3 H . . . . . 3.5 0.0 5.0 . . . . . A . 25 LEU MD2 . . A . 47 ARG HB3 . . . 25 . HD# . . . . . 47 . HB1 . . rr_1awx 2 234 1 OR . 1 1 48 48 ASP H H . . . 1 1 25 25 LEU MD1 H . . . . . 3.5 0.0 5.0 . . . . . A . 48 ASP H . . A . 25 LEU MD1 . . . 48 . HN . . . . . 25 . HD# . . rr_1awx 2 234 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 48 48 ASP H H . . . . . 3.5 0.0 5.0 . . . . . A . 25 LEU MD2 . . A . 48 ASP H . . . 25 . HD# . . . . . 48 . HN . . rr_1awx 2 235 1 OR . 1 1 48 48 ASP HB2 H . . . 1 1 25 25 LEU MD1 H . . . . . 3.5 0.0 5.0 . . . . . A . 48 ASP HB2 . . A . 25 LEU MD1 . . . 48 . HB2 . . . . . 25 . HD# . . rr_1awx 2 235 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 48 48 ASP HB2 H . . . . . 3.5 0.0 5.0 . . . . . A . 25 LEU MD2 . . A . 48 ASP HB2 . . . 25 . HD# . . . . . 48 . HB2 . . rr_1awx 2 236 1 OR . 1 1 25 25 LEU HB3 H . . . 1 1 54 54 GLY HA2 H . . . . . 3.5 0.0 4.9 . . . . . A . 25 LEU HB3 . . A . 54 GLY HA2 . . . 25 . HB# . . . . . 54 . HA# . . rr_1awx 2 236 2 OR . 1 1 25 25 LEU HB2 H . . . 1 1 54 54 GLY HA2 H . . . . . 3.5 0.0 4.9 . . . . . A . 25 LEU HB2 . . A . 54 GLY HA2 . . . 25 . HB# . . . . . 54 . HA# . . rr_1awx 2 236 3 OR . 1 1 54 54 GLY HA3 H . . . 1 1 25 25 LEU HB2 H . . . . . 3.5 0.0 4.9 . . . . . A . 54 GLY HA3 . . A . 25 LEU HB2 . . . 54 . HA# . . . . . 25 . HB# . . rr_1awx 2 236 4 OR . 1 1 25 25 LEU HB3 H . . . 1 1 54 54 GLY HA3 H . . . . . 3.5 0.0 4.9 . . . . . A . 25 LEU HB3 . . A . 54 GLY HA3 . . . 25 . HB# . . . . . 54 . HA# . . rr_1awx 2 237 1 OR . 1 1 25 25 LEU MD1 H . . . 1 1 54 54 GLY HA2 H . . . . . 5.0 0.0 7.2 . . . . . A . 25 LEU MD1 . . A . 54 GLY HA2 . . . 25 . HD# . . . . . 54 . HA# . . rr_1awx 2 237 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 54 54 GLY HA2 H . . . . . 5.0 0.0 7.2 . . . . . A . 25 LEU MD2 . . A . 54 GLY HA2 . . . 25 . HD# . . . . . 54 . HA# . . rr_1awx 2 237 3 OR . 1 1 54 54 GLY HA3 H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 54 GLY HA3 . . A . 25 LEU MD1 . . . 54 . HA# . . . . . 25 . HD# . . rr_1awx 2 237 4 OR . 1 1 25 25 LEU MD2 H . . . 1 1 54 54 GLY HA3 H . . . . . 5.0 0.0 7.2 . . . . . A . 25 LEU MD2 . . A . 54 GLY HA3 . . . 25 . HD# . . . . . 54 . HA# . . rr_1awx 2 238 1 OR . 1 1 55 55 TYR HA H . . . 1 1 25 25 LEU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 55 TYR HA . . A . 25 LEU HB2 . . . 55 . HA . . . . . 25 . HB# . . rr_1awx 2 238 2 OR . 1 1 25 25 LEU HB3 H . . . 1 1 55 55 TYR HA H . . . . . 3.5 0.0 4.2 . . . . . A . 25 LEU HB3 . . A . 55 TYR HA . . . 25 . HB# . . . . . 55 . HA . . rr_1awx 2 239 1 OR . 1 1 55 55 TYR HA H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 55 TYR HA . . A . 25 LEU MD1 . . . 55 . HA . . . . . 25 . HD# . . rr_1awx 2 239 2 OR . 1 1 25 25 LEU MD2 H . . . 1 1 55 55 TYR HA H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU MD2 . . A . 55 TYR HA . . . 25 . HD# . . . . . 55 . HA . . rr_1awx 2 240 1 OR . 1 1 26 26 GLN HB2 H . . . 1 1 26 26 GLN HE22 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HB2 . . A . 26 GLN HE22 . . . 26 . HB# . . . . . 26 . HE2# . . rr_1awx 2 240 2 OR . 1 1 26 26 GLN HB3 H . . . 1 1 26 26 GLN HE22 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HB3 . . A . 26 GLN HE22 . . . 26 . HB# . . . . . 26 . HE2# . . rr_1awx 2 240 3 OR . 1 1 26 26 GLN HE21 H . . . 1 1 26 26 GLN HB3 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HE21 . . A . 26 GLN HB3 . . . 26 . HE2# . . . . . 26 . HB# . . rr_1awx 2 240 4 OR . 1 1 26 26 GLN HE21 H . . . 1 1 26 26 GLN HB2 H . . . . . 5.0 0.0 6.4 . . . . . A . 26 GLN HE21 . . A . 26 GLN HB2 . . . 26 . HE2# . . . . . 26 . HB# . . rr_1awx 2 241 1 . . 1 1 27 27 LEU HB2 H . . . 1 1 27 27 LEU HA H . . . . . 3.5 0.0 3.5 . . . . . A . 27 LEU HB2 . . A . 27 LEU HA . . . 27 . HB2 . . . . . 27 . HA . . rr_1awx 2 242 1 OR . 1 1 27 27 LEU HB3 H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 27 LEU HB3 . . A . 27 LEU MD1 . . . 27 . HB1 . . . . . 27 . HD# . . rr_1awx 2 242 2 OR . 1 1 27 27 LEU HB3 H . . . 1 1 27 27 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 27 LEU HB3 . . A . 27 LEU MD2 . . . 27 . HB1 . . . . . 27 . HD# . . rr_1awx 2 243 1 OR . 1 1 27 27 LEU MD2 H . . . 1 1 57 57 PRO HD2 H . . . . . 3.5 0.0 5.7 . . . . . A . 27 LEU MD2 . . A . 57 PRO HD2 . . . 27 . HD# . . . . . 57 . HD# . . rr_1awx 2 243 2 OR . 1 1 27 27 LEU MD1 H . . . 1 1 57 57 PRO HD2 H . . . . . 3.5 0.0 5.7 . . . . . A . 27 LEU MD1 . . A . 57 PRO HD2 . . . 27 . HD# . . . . . 57 . HD# . . rr_1awx 2 243 3 OR . 1 1 57 57 PRO HD3 H . . . 1 1 27 27 LEU MD1 H . . . . . 3.5 0.0 5.7 . . . . . A . 57 PRO HD3 . . A . 27 LEU MD1 . . . 57 . HD# . . . . . 27 . HD# . . rr_1awx 2 243 4 OR . 1 1 27 27 LEU MD2 H . . . 1 1 57 57 PRO HD3 H . . . . . 3.5 0.0 5.7 . . . . . A . 27 LEU MD2 . . A . 57 PRO HD3 . . . 27 . HD# . . . . . 57 . HD# . . rr_1awx 2 244 1 OR . 1 1 28 28 ARG HB2 H . . . 1 1 28 28 ARG HD2 H . . . . . 3.5 0.0 4.9 . . . . . A . 28 ARG HB2 . . A . 28 ARG HD2 . . . 28 . HB# . . . . . 28 . HD# . . rr_1awx 2 244 2 OR . 1 1 28 28 ARG HB3 H . . . 1 1 28 28 ARG HD2 H . . . . . 3.5 0.0 4.9 . . . . . A . 28 ARG HB3 . . A . 28 ARG HD2 . . . 28 . HB# . . . . . 28 . HD# . . rr_1awx 2 244 3 OR . 1 1 28 28 ARG HD3 H . . . 1 1 28 28 ARG HB2 H . . . . . 3.5 0.0 4.9 . . . . . A . 28 ARG HD3 . . A . 28 ARG HB2 . . . 28 . HD# . . . . . 28 . HB# . . rr_1awx 2 244 4 OR . 1 1 28 28 ARG HB3 H . . . 1 1 28 28 ARG HD3 H . . . . . 3.5 0.0 4.9 . . . . . A . 28 ARG HB3 . . A . 28 ARG HD3 . . . 28 . HB# . . . . . 28 . HD# . . rr_1awx 2 245 1 OR . 1 1 28 28 ARG HD2 H . . . 1 1 28 28 ARG HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 28 ARG HD2 . . A . 28 ARG HG2 . . . 28 . HD# . . . . . 28 . HG# . . rr_1awx 2 245 2 OR . 1 1 28 28 ARG HD3 H . . . 1 1 28 28 ARG HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 28 ARG HD3 . . A . 28 ARG HG2 . . . 28 . HD# . . . . . 28 . HG# . . rr_1awx 2 245 3 OR . 1 1 28 28 ARG HG3 H . . . 1 1 28 28 ARG HD2 H . . . . . 3.5 0.0 4.9 . . . . . A . 28 ARG HG3 . . A . 28 ARG HD2 . . . 28 . HG# . . . . . 28 . HD# . . rr_1awx 2 245 4 OR . 1 1 28 28 ARG HG3 H . . . 1 1 28 28 ARG HD3 H . . . . . 3.5 0.0 4.9 . . . . . A . 28 ARG HG3 . . A . 28 ARG HD3 . . . 28 . HG# . . . . . 28 . HD# . . rr_1awx 2 246 1 . . 1 1 28 28 ARG H H . . . 1 1 33 33 TYR QE H . . . . . 3.5 0.0 5.5 . . . . . A . 28 ARG H . . A . 33 TYR QE . . . 28 . HN . . . . . 33 . HE# . . rr_1awx 2 247 1 OR . 1 1 29 29 LYS HE3 H . . . 1 1 29 29 LYS HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 29 LYS HE3 . . A . 29 LYS HG2 . . . 29 . HE# . . . . . 29 . HG# . . rr_1awx 2 247 2 OR . 1 1 29 29 LYS HE2 H . . . 1 1 29 29 LYS HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 29 LYS HE2 . . A . 29 LYS HG2 . . . 29 . HE# . . . . . 29 . HG# . . rr_1awx 2 247 3 OR . 1 1 29 29 LYS HG3 H . . . 1 1 29 29 LYS HE2 H . . . . . 3.5 0.0 4.9 . . . . . A . 29 LYS HG3 . . A . 29 LYS HE2 . . . 29 . HG# . . . . . 29 . HE# . . rr_1awx 2 247 4 OR . 1 1 29 29 LYS HG3 H . . . 1 1 29 29 LYS HE3 H . . . . . 3.5 0.0 4.9 . . . . . A . 29 LYS HG3 . . A . 29 LYS HE3 . . . 29 . HG# . . . . . 29 . HE# . . rr_1awx 2 248 1 . . 1 1 31 31 ASP H H . . . 1 1 33 33 TYR QE H . . . . . 3.5 0.0 5.5 . . . . . A . 31 ASP H . . A . 33 TYR QE . . . 31 . HN . . . . . 33 . HE# . . rr_1awx 2 249 1 OR . 1 1 33 33 TYR QE H . . . 1 1 31 31 ASP HB2 H . . . . . 3.5 0.0 6.2 . . . . . A . 33 TYR QE . . A . 31 ASP HB2 . . . 33 . HE# . . . . . 31 . HB# . . rr_1awx 2 249 2 OR . 1 1 31 31 ASP HB3 H . . . 1 1 33 33 TYR QE H . . . . . 3.5 0.0 6.2 . . . . . A . 31 ASP HB3 . . A . 33 TYR QE . . . 31 . HB# . . . . . 33 . HE# . . rr_1awx 2 250 1 . . 1 1 32 32 GLU HA H . . . 1 1 32 32 GLU HB3 H . . . . . 2.8 0.0 2.8 . . . . . A . 32 GLU HA . . A . 32 GLU HB3 . . . 32 . HA . . . . . 32 . HB1 . . rr_1awx 2 251 1 . . 1 1 33 33 TYR H H . . . 1 1 33 33 TYR QD H . . . . . 3.5 0.0 5.5 . . . . . A . 33 TYR H . . A . 33 TYR QD . . . 33 . HN . . . . . 33 . HD# . . rr_1awx 2 252 1 . . 1 1 33 33 TYR QD H . . . 1 1 56 56 ILE MG H . . . . . 5.0 0.0 7.4 . . . . . A . 33 TYR QD . . A . 56 ILE MG . . . 33 . HD# . . . . . 56 . HG2# . . rr_1awx 2 253 1 OR . 1 1 33 33 TYR QD H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 8.5 . . . . . A . 33 TYR QD . . A . 61 VAL MG1 . . . 33 . HD# . . . . . 61 . HG# . . rr_1awx 2 253 2 OR . 1 1 33 33 TYR QD H . . . 1 1 61 61 VAL MG2 H . . . . . 5.0 0.0 8.5 . . . . . A . 33 TYR QD . . A . 61 VAL MG2 . . . 33 . HD# . . . . . 61 . HG# . . rr_1awx 2 254 1 OR . 1 1 33 33 TYR QE H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 8.5 . . . . . A . 33 TYR QE . . A . 61 VAL MG1 . . . 33 . HE# . . . . . 61 . HG# . . rr_1awx 2 254 2 OR . 1 1 61 61 VAL MG2 H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 8.5 . . . . . A . 61 VAL MG2 . . A . 33 TYR QE . . . 61 . HG# . . . . . 33 . HE# . . rr_1awx 2 255 1 . . 1 1 34 34 PHE H H . . . 1 1 34 34 PHE QD H . . . . . 3.5 0.0 5.5 . . . . . A . 34 PHE H . . A . 34 PHE QD . . . 34 . HN . . . . . 34 . HD# . . rr_1awx 2 256 1 . . 1 1 34 34 PHE HB3 H . . . 1 1 47 47 ARG H H . . . . . 3.5 0.0 3.5 . . . . . A . 34 PHE HB3 . . A . 47 ARG H . . . 34 . HB1 . . . . . 47 . HN . . rr_1awx 2 257 1 . . 1 1 35 35 ILE MG H . . . 1 1 37 37 GLU H H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE MG . . A . 37 GLU H . . . 35 . HG2# . . . . . 37 . HN . . rr_1awx 2 258 1 . . 1 1 46 46 ALA MB H . . . 1 1 35 35 ILE MG H . . . . . 5.0 0.0 5.8 . . . . . A . 46 ALA MB . . A . 35 ILE MG . . . 46 . HB# . . . . . 35 . HG2# . . rr_1awx 2 259 1 . . 1 1 46 46 ALA MB H . . . 1 1 35 35 ILE HA H . . . . . 5.0 0.0 5.4 . . . . . A . 46 ALA MB . . A . 35 ILE HA . . . 46 . HB# . . . . . 35 . HA . . rr_1awx 2 260 1 OR . 1 1 36 36 LEU HA H . . . 1 1 36 36 LEU HB2 H . . . . . 2.8 0.0 3.5 . . . . . A . 36 LEU HA . . A . 36 LEU HB2 . . . 36 . HA . . . . . 36 . HB# . . rr_1awx 2 260 2 OR . 1 1 36 36 LEU HA H . . . 1 1 36 36 LEU HB3 H . . . . . 2.8 0.0 3.5 . . . . . A . 36 LEU HA . . A . 36 LEU HB3 . . . 36 . HA . . . . . 36 . HB# . . rr_1awx 2 261 1 . . 1 1 36 36 LEU HA H . . . 1 1 37 37 GLU H H . . . . . 3.5 0.0 3.5 . . . . . A . 36 LEU HA . . A . 37 GLU H . . . 36 . HA . . . . . 37 . HN . . rr_1awx 2 262 1 . . 1 1 46 46 ALA MB H . . . 1 1 36 36 LEU H H . . . . . 5.0 0.0 5.4 . . . . . A . 46 ALA MB . . A . 36 LEU H . . . 46 . HB# . . . . . 36 . HN . . rr_1awx 2 263 1 OR . 1 1 36 36 LEU MD1 H . . . 1 1 53 53 GLU HG2 H . . . . . 5.0 0.0 7.2 . . . . . A . 36 LEU MD1 . . A . 53 GLU HG2 . . . 36 . HD# . . . . . 53 . HG# . . rr_1awx 2 263 2 OR . 1 1 53 53 GLU HG3 H . . . 1 1 36 36 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 53 GLU HG3 . . A . 36 LEU MD1 . . . 53 . HG# . . . . . 36 . HD# . . rr_1awx 2 263 3 OR . 1 1 36 36 LEU MD2 H . . . 1 1 53 53 GLU HG3 H . . . . . 5.0 0.0 7.2 . . . . . A . 36 LEU MD2 . . A . 53 GLU HG3 . . . 36 . HD# . . . . . 53 . HG# . . rr_1awx 2 263 4 OR . 1 1 36 36 LEU MD2 H . . . 1 1 53 53 GLU HG2 H . . . . . 5.0 0.0 7.2 . . . . . A . 36 LEU MD2 . . A . 53 GLU HG2 . . . 36 . HD# . . . . . 53 . HG# . . rr_1awx 2 264 1 OR . 1 1 38 38 GLU H H . . . 1 1 37 37 GLU HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 38 GLU H . . A . 37 GLU HG2 . . . 38 . HN . . . . . 37 . HG# . . rr_1awx 2 264 2 OR . 1 1 37 37 GLU HG3 H . . . 1 1 38 38 GLU H H . . . . . 3.5 0.0 4.2 . . . . . A . 37 GLU HG3 . . A . 38 GLU H . . . 37 . HG# . . . . . 38 . HN . . rr_1awx 2 265 1 OR . 1 1 40 40 ASN HA H . . . 1 1 40 40 ASN HB2 H . . . . . 2.8 0.0 3.5 . . . . . A . 40 ASN HA . . A . 40 ASN HB2 . . . 40 . HA . . . . . 40 . HB# . . rr_1awx 2 265 2 OR . 1 1 40 40 ASN HA H . . . 1 1 40 40 ASN HB3 H . . . . . 2.8 0.0 3.5 . . . . . A . 40 ASN HA . . A . 40 ASN HB3 . . . 40 . HA . . . . . 40 . HB# . . rr_1awx 2 266 1 . . 1 1 41 41 LEU HA H . . . 1 1 41 41 LEU HB3 H . . . . . 5.0 0.0 5.0 . . . . . A . 41 LEU HA . . A . 41 LEU HB3 . . . 41 . HA . . . . . 41 . HB1 . . rr_1awx 2 267 1 . . 1 1 41 41 LEU HA H . . . 1 1 41 41 LEU HG H . . . . . 5.0 0.0 5.0 . . . . . A . 41 LEU HA . . A . 41 LEU HG . . . 41 . HA . . . . . 41 . HG . . rr_1awx 2 268 1 OR . 1 1 41 41 LEU HB2 H . . . 1 1 41 41 LEU MD1 H . . . . . 3.5 0.0 5.0 . . . . . A . 41 LEU HB2 . . A . 41 LEU MD1 . . . 41 . HB2 . . . . . 41 . HD# . . rr_1awx 2 268 2 OR . 1 1 41 41 LEU MD2 H . . . 1 1 41 41 LEU HB2 H . . . . . 3.5 0.0 5.0 . . . . . A . 41 LEU MD2 . . A . 41 LEU HB2 . . . 41 . HD# . . . . . 41 . HB2 . . rr_1awx 2 269 1 OR . 1 1 41 41 LEU HG H . . . 1 1 41 41 LEU MD1 H . . . . . 2.8 0.0 4.3 . . . . . A . 41 LEU HG . . A . 41 LEU MD1 . . . 41 . HG . . . . . 41 . HD# . . rr_1awx 2 269 2 OR . 1 1 41 41 LEU HG H . . . 1 1 41 41 LEU MD2 H . . . . . 2.8 0.0 4.3 . . . . . A . 41 LEU HG . . A . 41 LEU MD2 . . . 41 . HG . . . . . 41 . HD# . . rr_1awx 2 270 1 OR . 1 1 41 41 LEU HB2 H . . . 1 1 42 42 PRO HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 41 LEU HB2 . . A . 42 PRO HG2 . . . 41 . HB2 . . . . . 42 . HG# . . rr_1awx 2 270 2 OR . 1 1 42 42 PRO HG3 H . . . 1 1 41 41 LEU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 42 PRO HG3 . . A . 41 LEU HB2 . . . 42 . HG# . . . . . 41 . HB2 . . rr_1awx 2 271 1 OR . 1 1 41 41 LEU HB2 H . . . 1 1 42 42 PRO HD2 H . . . . . 3.5 0.0 4.2 . . . . . A . 41 LEU HB2 . . A . 42 PRO HD2 . . . 41 . HB2 . . . . . 42 . HD# . . rr_1awx 2 271 2 OR . 1 1 42 42 PRO HD3 H . . . 1 1 41 41 LEU HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 42 PRO HD3 . . A . 41 LEU HB2 . . . 42 . HD# . . . . . 41 . HB2 . . rr_1awx 2 272 1 . . 1 1 58 58 SER H H . . . 1 1 43 43 TRP HA H . . . . . 3.5 0.0 3.5 . . . . . A . 58 SER H . . A . 43 TRP HA . . . 58 . HN . . . . . 43 . HA . . rr_1awx 2 273 1 . . 1 1 44 44 TRP HB3 H . . . 1 1 44 44 TRP HE3 H . . . . . 3.5 0.0 3.5 . . . . . A . 44 TRP HB3 . . A . 44 TRP HE3 . . . 44 . HB1 . . . . . 44 . HE3 . . rr_1awx 2 274 1 . . 1 1 45 45 ARG H H . . . 1 1 44 44 TRP HD1 H . . . . . 5.0 0.0 5.0 . . . . . A . 45 ARG H . . A . 44 TRP HD1 . . . 45 . HN . . . . . 44 . HD1 . . rr_1awx 2 275 1 . . 1 1 46 46 ALA MB H . . . 1 1 44 44 TRP HE3 H . . . . . 3.5 0.0 3.9 . . . . . A . 46 ALA MB . . A . 44 TRP HE3 . . . 46 . HB# . . . . . 44 . HE3 . . rr_1awx 2 276 1 . . 1 1 56 56 ILE MG H . . . 1 1 44 44 TRP HB2 H . . . . . 3.5 0.0 3.9 . . . . . A . 56 ILE MG . . A . 44 TRP HB2 . . . 56 . HG2# . . . . . 44 . HB2 . . rr_1awx 2 277 1 OR . 1 1 45 45 ARG HA H . . . 1 1 45 45 ARG HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 45 ARG HA . . A . 45 ARG HG2 . . . 45 . HA . . . . . 45 . HG# . . rr_1awx 2 277 2 OR . 1 1 45 45 ARG HA H . . . 1 1 45 45 ARG HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 45 ARG HA . . A . 45 ARG HG3 . . . 45 . HA . . . . . 45 . HG# . . rr_1awx 2 278 1 OR . 1 1 45 45 ARG HD2 H . . . 1 1 45 45 ARG HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 45 ARG HD2 . . A . 45 ARG HG2 . . . 45 . HD# . . . . . 45 . HG# . . rr_1awx 2 278 2 OR . 1 1 45 45 ARG HD3 H . . . 1 1 45 45 ARG HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 45 ARG HD3 . . A . 45 ARG HG2 . . . 45 . HD# . . . . . 45 . HG# . . rr_1awx 2 278 3 OR . 1 1 45 45 ARG HG3 H . . . 1 1 45 45 ARG HD2 H . . . . . 3.5 0.0 4.9 . . . . . A . 45 ARG HG3 . . A . 45 ARG HD2 . . . 45 . HG# . . . . . 45 . HD# . . rr_1awx 2 278 4 OR . 1 1 45 45 ARG HD3 H . . . 1 1 45 45 ARG HG3 H . . . . . 3.5 0.0 4.9 . . . . . A . 45 ARG HD3 . . A . 45 ARG HG3 . . . 45 . HD# . . . . . 45 . HG# . . rr_1awx 2 279 1 OR . 1 1 47 47 ARG HB3 H . . . 1 1 47 47 ARG HD2 H . . . . . 3.5 0.0 4.2 . . . . . A . 47 ARG HB3 . . A . 47 ARG HD2 . . . 47 . HB1 . . . . . 47 . HD# . . rr_1awx 2 279 2 OR . 1 1 47 47 ARG HB3 H . . . 1 1 47 47 ARG HD3 H . . . . . 3.5 0.0 4.2 . . . . . A . 47 ARG HB3 . . A . 47 ARG HD3 . . . 47 . HB1 . . . . . 47 . HD# . . rr_1awx 2 280 1 OR . 1 1 47 47 ARG HD2 H . . . 1 1 47 47 ARG HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 47 ARG HD2 . . A . 47 ARG HG2 . . . 47 . HD# . . . . . 47 . HG# . . rr_1awx 2 280 2 OR . 1 1 47 47 ARG HD3 H . . . 1 1 47 47 ARG HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 47 ARG HD3 . . A . 47 ARG HG2 . . . 47 . HD# . . . . . 47 . HG# . . rr_1awx 2 280 3 OR . 1 1 47 47 ARG HG3 H . . . 1 1 47 47 ARG HD2 H . . . . . 3.5 0.0 4.9 . . . . . A . 47 ARG HG3 . . A . 47 ARG HD2 . . . 47 . HG# . . . . . 47 . HD# . . rr_1awx 2 280 4 OR . 1 1 47 47 ARG HG3 H . . . 1 1 47 47 ARG HD3 H . . . . . 3.5 0.0 4.9 . . . . . A . 47 ARG HG3 . . A . 47 ARG HD3 . . . 47 . HG# . . . . . 47 . HD# . . rr_1awx 2 281 1 OR . 1 1 49 49 LYS HA H . . . 1 1 49 49 LYS HE2 H . . . . . 3.5 0.0 4.2 . . . . . A . 49 LYS HA . . A . 49 LYS HE2 . . . 49 . HA . . . . . 49 . HE# . . rr_1awx 2 281 2 OR . 1 1 49 49 LYS HA H . . . 1 1 49 49 LYS HE3 H . . . . . 3.5 0.0 4.2 . . . . . A . 49 LYS HA . . A . 49 LYS HE3 . . . 49 . HA . . . . . 49 . HE# . . rr_1awx 2 282 1 OR . 1 1 49 49 LYS HA H . . . 1 1 49 49 LYS HB2 H . . . . . 2.8 0.0 3.5 . . . . . A . 49 LYS HA . . A . 49 LYS HB2 . . . 49 . HA . . . . . 49 . HB# . . rr_1awx 2 282 2 OR . 1 1 49 49 LYS HA H . . . 1 1 49 49 LYS HB3 H . . . . . 2.8 0.0 3.5 . . . . . A . 49 LYS HA . . A . 49 LYS HB3 . . . 49 . HA . . . . . 49 . HB# . . rr_1awx 2 283 1 OR . 1 1 49 49 LYS HE2 H . . . 1 1 49 49 LYS HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 49 LYS HE2 . . A . 49 LYS HG2 . . . 49 . HE# . . . . . 49 . HG# . . rr_1awx 2 283 2 OR . 1 1 49 49 LYS HE3 H . . . 1 1 49 49 LYS HG2 H . . . . . 3.5 0.0 4.9 . . . . . A . 49 LYS HE3 . . A . 49 LYS HG2 . . . 49 . HE# . . . . . 49 . HG# . . rr_1awx 2 283 3 OR . 1 1 49 49 LYS HG3 H . . . 1 1 49 49 LYS HE2 H . . . . . 3.5 0.0 4.9 . . . . . A . 49 LYS HG3 . . A . 49 LYS HE2 . . . 49 . HG# . . . . . 49 . HE# . . rr_1awx 2 283 4 OR . 1 1 49 49 LYS HG3 H . . . 1 1 49 49 LYS HE3 H . . . . . 3.5 0.0 4.9 . . . . . A . 49 LYS HG3 . . A . 49 LYS HE3 . . . 49 . HG# . . . . . 49 . HE# . . rr_1awx 2 284 1 . . 1 1 56 56 ILE HB H . . . 1 1 56 56 ILE HA H . . . . . 3.5 0.0 3.5 . . . . . A . 56 ILE HB . . A . 56 ILE HA . . . 56 . HB . . . . . 56 . HA . . rr_1awx 2 285 1 OR . 1 1 56 56 ILE HA H . . . 1 1 56 56 ILE HG12 H . . . . . 3.5 0.0 4.2 . . . . . A . 56 ILE HA . . A . 56 ILE HG12 . . . 56 . HA . . . . . 56 . HG1# . . rr_1awx 2 285 2 OR . 1 1 56 56 ILE HA H . . . 1 1 56 56 ILE HG13 H . . . . . 3.5 0.0 4.2 . . . . . A . 56 ILE HA . . A . 56 ILE HG13 . . . 56 . HA . . . . . 56 . HG1# . . rr_1awx 2 286 1 OR . 1 1 56 56 ILE HB H . . . 1 1 56 56 ILE HG12 H . . . . . 2.8 0.0 3.5 . . . . . A . 56 ILE HB . . A . 56 ILE HG12 . . . 56 . HB . . . . . 56 . HG1# . . rr_1awx 2 286 2 OR . 1 1 56 56 ILE HB H . . . 1 1 56 56 ILE HG13 H . . . . . 2.8 0.0 3.5 . . . . . A . 56 ILE HB . . A . 56 ILE HG13 . . . 56 . HB . . . . . 56 . HG1# . . rr_1awx 2 287 1 . . 1 1 56 56 ILE HB H . . . 1 1 56 56 ILE MG H . . . . . 3.5 0.0 3.9 . . . . . A . 56 ILE HB . . A . 56 ILE MG . . . 56 . HB . . . . . 56 . HG2# . . rr_1awx 2 288 1 OR . 1 1 56 56 ILE MG H . . . 1 1 56 56 ILE HG12 H . . . . . 3.5 0.0 4.6 . . . . . A . 56 ILE MG . . A . 56 ILE HG12 . . . 56 . HG2# . . . . . 56 . HG1# . . rr_1awx 2 288 2 OR . 1 1 56 56 ILE MG H . . . 1 1 56 56 ILE HG13 H . . . . . 3.5 0.0 4.6 . . . . . A . 56 ILE MG . . A . 56 ILE HG13 . . . 56 . HG2# . . . . . 56 . HG1# . . rr_1awx 2 289 1 OR . 1 1 56 56 ILE MD H . . . 1 1 56 56 ILE HG12 H . . . . . 2.8 0.0 3.9 . . . . . A . 56 ILE MD . . A . 56 ILE HG12 . . . 56 . HD1# . . . . . 56 . HG1# . . rr_1awx 2 289 2 OR . 1 1 56 56 ILE MD H . . . 1 1 56 56 ILE HG13 H . . . . . 2.8 0.0 3.9 . . . . . A . 56 ILE MD . . A . 56 ILE HG13 . . . 56 . HD1# . . . . . 56 . HG1# . . rr_1awx 2 290 1 . . 1 1 56 56 ILE MD H . . . 1 1 56 56 ILE MG H . . . . . 3.5 0.0 4.3 . . . . . A . 56 ILE MD . . A . 56 ILE MG . . . 56 . HD1# . . . . . 56 . HG2# . . rr_1awx 2 291 1 . . 1 1 56 56 ILE MG H . . . 1 1 58 58 SER HA H . . . . . 5.0 0.0 5.4 . . . . . A . 56 ILE MG . . A . 58 SER HA . . . 56 . HG2# . . . . . 58 . HA . . rr_1awx 2 292 1 OR . 1 1 56 56 ILE HG13 H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 7.2 . . . . . A . 56 ILE HG13 . . A . 61 VAL MG1 . . . 56 . HG1# . . . . . 61 . HG# . . rr_1awx 2 292 2 OR . 1 1 56 56 ILE HG12 H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 7.2 . . . . . A . 56 ILE HG12 . . A . 61 VAL MG1 . . . 56 . HG1# . . . . . 61 . HG# . . rr_1awx 2 292 3 OR . 1 1 61 61 VAL MG2 H . . . 1 1 56 56 ILE HG12 H . . . . . 5.0 0.0 7.2 . . . . . A . 61 VAL MG2 . . A . 56 ILE HG12 . . . 61 . HG# . . . . . 56 . HG1# . . rr_1awx 2 292 4 OR . 1 1 61 61 VAL MG2 H . . . 1 1 56 56 ILE HG13 H . . . . . 5.0 0.0 7.2 . . . . . A . 61 VAL MG2 . . A . 56 ILE HG13 . . . 61 . HG# . . . . . 56 . HG1# . . rr_1awx 2 293 1 OR . 1 1 56 56 ILE MG H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 6.9 . . . . . A . 56 ILE MG . . A . 61 VAL MG1 . . . 56 . HG2# . . . . . 61 . HG# . . rr_1awx 2 293 2 OR . 1 1 56 56 ILE MG H . . . 1 1 61 61 VAL MG2 H . . . . . 5.0 0.0 6.9 . . . . . A . 56 ILE MG . . A . 61 VAL MG2 . . . 56 . HG2# . . . . . 61 . HG# . . rr_1awx 2 294 1 OR . 1 1 58 58 SER HA H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 58 SER HA . . A . 61 VAL MG1 . . . 58 . HA . . . . . 61 . HG# . . rr_1awx 2 294 2 OR . 1 1 58 58 SER HA H . . . 1 1 61 61 VAL MG2 H . . . . . 5.0 0.0 6.5 . . . . . A . 58 SER HA . . A . 61 VAL MG2 . . . 58 . HA . . . . . 61 . HG# . . rr_1awx 2 295 1 . . 1 1 59 59 ASN HA H . . . 1 1 59 59 ASN HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 59 ASN HA . . A . 59 ASN HB2 . . . 59 . HA . . . . . 59 . HB2 . . rr_1awx 2 296 1 . . 1 1 61 61 VAL HA H . . . 1 1 62 62 THR MG H . . . . . 5.0 0.0 5.4 . . . . . A . 61 VAL HA . . A . 62 THR MG . . . 61 . HA . . . . . 62 . HG2# . . rr_1awx 2 297 1 OR . 1 1 63 63 GLU HA H . . . 1 1 63 63 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 63 GLU HA . . A . 63 GLU HG2 . . . 63 . HA . . . . . 63 . HG# . . rr_1awx 2 297 2 OR . 1 1 63 63 GLU HA H . . . 1 1 63 63 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 63 GLU HA . . A . 63 GLU HG3 . . . 63 . HA . . . . . 63 . HG# . . rr_1awx 2 298 1 . . 1 1 64 64 ALA HA H . . . 1 1 64 64 ALA MB H . . . . . 2.8 0.0 3.2 . . . . . A . 64 ALA HA . . A . 64 ALA MB . . . 64 . HA . . . . . 64 . HB# . . rr_1awx 2 299 1 . . 1 1 65 65 GLU HA H . . . 1 1 65 65 GLU HB3 H . . . . . 2.8 0.0 2.8 . . . . . A . 65 GLU HA . . A . 65 GLU HB3 . . . 65 . HA . . . . . 65 . HB1 . . rr_1awx 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; Restraints derived from tnnoesy-spectra (60ms mixingtime) residue 4 Ser , NOEs forward in sequence ; 3 1 5 46 rr_1awx 2 2 'residue 5 Thr , intraresidue NOEs' 8 1 8 39 rr_1awx 2 3 'residue 5 Thr , NOEs forward in sequence' 14 1 14 46 rr_1awx 2 4 'residue 6 Ser , intraresidue NOEs' 17 1 17 39 rr_1awx 2 5 ; residue 6 Ser , NOEs forward in sequence residue 7 Glu , intraresidue NOEs ; 21 1 23 39 rr_1awx 2 6 'residue 7 Glu , NOEs forward in sequence' 26 1 26 46 rr_1awx 2 7 'residue 8 Leu , intraresidue NOEs' 29 1 29 39 rr_1awx 2 8 'residue 8 Leu , NOEs forward in sequence' 32 1 32 46 rr_1awx 2 9 'residue 9 Lys , intraresidue NOEs' 36 1 36 39 rr_1awx 2 10 'residue 9 Lys , NOEs forward in sequence' 42 1 42 46 rr_1awx 2 11 'residue 10 Lys , intraresidue NOEs' 45 1 45 39 rr_1awx 2 12 'residue 10 Lys , NOEs forward in sequence' 50 1 50 46 rr_1awx 2 13 'residue 11 Val , intraresidue NOEs' 56 1 56 39 rr_1awx 2 14 'residue 11 Val , NOEs forward in sequence' 61 1 61 46 rr_1awx 2 15 'residue 12 Val , intraresidue NOEs' 67 1 67 39 rr_1awx 2 16 'residue 12 Val , NOEs forward in sequence' 74 1 74 46 rr_1awx 2 17 ; residue 13 Ala , intraresidue NOEs residue 13 Ala , NOEs forward in sequence ; 85 1 87 46 rr_1awx 2 18 'residue 14 Leu , intraresidue NOEs' 90 1 90 39 rr_1awx 2 19 'residue 14 Leu , NOEs forward in sequence' 94 1 94 46 rr_1awx 2 20 ; residue 15 Tyr , intraresidue NOEs residue 15 Tyr , NOEs forward in sequence residue 16 Asp , intraresidue NOEs residue 16 Asp , NOEs forward in sequence ; 101 1 107 46 rr_1awx 2 21 'residue 17 Tyr , intraresidue NOEs' 110 1 110 39 rr_1awx 2 22 'residue 17 Tyr , NOEs forward in sequence' 114 1 114 46 rr_1awx 2 23 'residue 18 Met , intraresidue NOEs' 122 1 122 39 rr_1awx 2 24 'residue 18 Met , NOEs forward in sequence' 126 1 126 46 rr_1awx 2 25 ; residue 19 Pro , intraresidue NOEs residue 19 Pro , NOEs forward in sequence residue 20 Met , intraresidue NOEs ; 129 1 133 39 rr_1awx 2 26 'residue 20 Met , NOEs forward in sequence' 136 1 136 46 rr_1awx 2 27 'residue 21 Asn , intraresidue NOEs' 141 1 141 39 rr_1awx 2 28 ; residue 21 Asn , NOEs forward in sequence residue 22 Ala , intraresidue NOEs ; 145 1 147 39 rr_1awx 2 29 'residue 22 Ala , NOEs forward in sequence' 150 1 150 46 rr_1awx 2 30 'residue 23 Asn , intraresidue NOEs' 153 1 153 39 rr_1awx 2 31 'residue 23 Asn , NOEs forward in sequence' 156 1 156 46 rr_1awx 2 32 'residue 24 Asp , intraresidue NOEs' 160 1 160 39 rr_1awx 2 33 'residue 24 Asp , NOEs forward in sequence' 163 1 163 46 rr_1awx 2 34 ; residue 25 Leu , intraresidue NOEs residue 25 Leu , NOEs forward in sequence ; 167 1 169 46 rr_1awx 2 35 'residue 26 Gln , intraresidue NOEs' 176 1 176 39 rr_1awx 2 36 'residue 26 Gln , NOEs forward in sequence' 179 1 179 46 rr_1awx 2 37 'residue 27 Leu , intraresidue NOEs' 182 1 182 39 rr_1awx 2 38 'residue 27 Leu , NOEs forward in sequence' 185 1 185 46 rr_1awx 2 39 'residue 28 Arg , intraresidue NOEs' 192 1 192 39 rr_1awx 2 40 ; residue 28 Arg , NOEs forward in sequence residue 29 Lys , intraresidue NOEs ; 196 1 198 39 rr_1awx 2 41 ; residue 29 Lys , NOEs forward in sequence residue 30 Gly , intraresidue NOEs residue 30 Gly , NOEs forward in sequence ; 201 1 205 46 rr_1awx 2 42 ; residue 31 Asp , intraresidue NOEs residue 31 Asp , NOEs forward in sequence residue 32 Glu , intraresidue NOEs ; 208 1 212 39 rr_1awx 2 43 ; residue 32 Glu , NOEs forward in sequence residue 33 Tyr , intraresidue NOEs ; 217 1 219 39 rr_1awx 2 44 ; residue 33 Tyr , NOEs forward in sequence residue 34 Phe , intraresidue NOEs ; 222 1 224 39 rr_1awx 2 45 'residue 34 Phe , NOEs forward in sequence' 227 1 227 46 rr_1awx 2 46 'residue 35 Ile , intraresidue NOEs' 234 1 234 39 rr_1awx 2 47 'residue 35 Ile , NOEs forward in sequence' 238 1 238 46 rr_1awx 2 48 ; residue 36 Leu , intraresidue NOEs residue 36 Leu , NOEs forward in sequence ; 246 1 248 46 rr_1awx 2 49 ; residue 37 Glu , intraresidue NOEs residue 37 Glu , NOEs forward in sequence ; 254 1 256 46 rr_1awx 2 50 'residue 38 Glu , intraresidue NOEs' 259 1 259 39 rr_1awx 2 51 'residue 38 Glu , NOEs forward in sequence' 263 1 263 46 rr_1awx 2 52 ; residue 39 Ser , intraresidue NOEs residue 39 Ser , NOEs forward in sequence ; 266 1 268 46 rr_1awx 2 53 ; residue 40 Asn , intraresidue NOEs residue 40 Asn , NOEs forward in sequence residue 41 Leu , intraresidue NOEs ; 271 1 275 39 rr_1awx 2 54 'residue 41 Leu , NOEs forward in sequence' 278 1 278 46 rr_1awx 2 55 ; residue 42 Pro , intraresidue NOEs residue 42 Pro , NOEs forward in sequence ; 282 1 284 46 rr_1awx 2 56 'residue 43 Trp , intraresidue NOEs' 288 1 288 39 rr_1awx 2 57 'residue 43 Trp , NOEs forward in sequence' 293 1 293 46 rr_1awx 2 58 ; residue 44 Trp , intraresidue NOEs residue 44 Trp , NOEs forward in sequence ; 299 1 301 46 rr_1awx 2 59 'residue 45 Arg , intraresidue NOEs' 305 1 305 39 rr_1awx 2 60 'residue 45 Arg , NOEs forward in sequence' 308 1 308 46 rr_1awx 2 61 'residue 46 Ala , intraresidue NOEs' 311 1 311 39 rr_1awx 2 62 ; residue 46 Ala , NOEs forward in sequence residue 47 Arg , intraresidue NOEs ; 314 1 316 39 rr_1awx 2 63 'residue 47 Arg , NOEs forward in sequence' 323 1 323 46 rr_1awx 2 64 'residue 48 Asp , intraresidue NOEs' 331 1 331 39 rr_1awx 2 65 'residue 48 Asp , NOEs forward in sequence' 334 1 334 46 rr_1awx 2 66 ; residue 49 Lys , intraresidue NOEs residue 49 Lys , NOEs forward in sequence ; 337 1 339 46 rr_1awx 2 67 'residue 50 Asn , intraresidue NOEs' 342 1 342 39 rr_1awx 2 68 'residue 50 Asn , NOEs forward in sequence' 345 1 345 46 rr_1awx 2 69 ; residue 51 Gly , intraresidue NOEs residue 51 Gly , NOEs forward in sequence ; 349 1 351 46 rr_1awx 2 70 ; residue 52 Gln , intraresidue NOEs residue 52 Gln , NOEs forward in sequence residue 53 Glu , intraresidue NOEs ; 354 1 358 39 rr_1awx 2 71 ; residue 53 Glu , NOEs forward in sequence residue 54 Gly , intraresidue NOEs residue 54 Gly , NOEs forward in sequence residue 55 Tyr , intraresidue NOEs ; 362 1 368 39 rr_1awx 2 72 'residue 55 Tyr , NOEs forward in sequence' 372 1 372 46 rr_1awx 2 73 'residue 56 Ile , intraresidue NOEs' 375 1 375 39 rr_1awx 2 74 ; residue 56 Ile , NOEs forward in sequence residue 57 Pro , intraresidue NOEs residue 57 Pro , NOEs forward in sequence residue 58 Ser , intraresidue NOEs ; 379 1 385 39 rr_1awx 2 75 ; residue 58 Ser , NOEs forward in sequence residue 59 Asn , intraresidue NOEs ; 388 1 390 39 rr_1awx 2 76 ; residue 59 Asn , NOEs forward in sequence residue 60 Tyr , intraresidue NOEs residue 60 Tyr , NOEs forward in sequence ; 393 1 397 46 rr_1awx 2 77 'residue 61 Val , intraresidue NOEs' 401 1 401 39 rr_1awx 2 78 ; residue 61 Val , NOEs forward in sequence residue 62 Thr , intraresidue NOEs ; 407 1 409 39 rr_1awx 2 79 ; residue 62 Thr , NOEs forward in sequence residue 63 Glu , intraresidue NOEs residue 63 Glu , NOEs forward in sequence ; 412 1 416 46 rr_1awx 2 80 ; residue 64 Ala , intraresidue NOEs residue 64 Ala , NOEs forward in sequence ; 419 1 421 46 rr_1awx 2 81 ; residue 65 Glu , intraresidue NOEs residue 65 Glu , NOEs forward in sequence ; 424 1 426 46 rr_1awx 2 82 'residue 66 Asp , intraresidue NOEs' 429 1 429 39 rr_1awx 2 83 'additional restraints' 432 1 432 23 rr_1awx 2 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID rr_1awx _Gen_dist_constraint_list.ID 3 _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 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1awx 3 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 OR . 1 1 12 12 VAL HA H . . . 1 1 32 32 GLU HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 12 VAL HA . . A . 32 GLU HG2 . . . 12 . HA . . . . . 32 . HG# . . rr_1awx 3 1 2 OR . 1 1 12 12 VAL HA H . . . 1 1 32 32 GLU HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 12 VAL HA . . A . 32 GLU HG3 . . . 12 . HA . . . . . 32 . HG# . . rr_1awx 3 2 1 . . 1 1 12 12 VAL HA H . . . 1 1 33 33 TYR QD H . . . . . 3.5 0.0 5.5 . . . . . A . 12 VAL HA . . A . 33 TYR QD . . . 12 . HA . . . . . 33 . HD# . . rr_1awx 3 3 1 . . 1 1 14 14 LEU HB2 H . . . 1 1 15 15 TYR QD H . . . . . 3.5 0.0 5.5 . . . . . A . 14 LEU HB2 . . A . 15 TYR QD . . . 14 . HB2 . . . . . 15 . HD# . . rr_1awx 3 4 1 OR . 1 1 15 15 TYR QD H . . . 1 1 14 14 LEU MD1 H . . . . . 5.0 0.0 8.5 . . . . . A . 15 TYR QD . . A . 14 LEU MD1 . . . 15 . HD# . . . . . 14 . HD# . . rr_1awx 3 4 2 OR . 1 1 14 14 LEU MD2 H . . . 1 1 15 15 TYR QD H . . . . . 5.0 0.0 8.5 . . . . . A . 14 LEU MD2 . . A . 15 TYR QD . . . 14 . HD# . . . . . 15 . HD# . . rr_1awx 3 5 1 . . 1 1 15 15 TYR HB2 H . . . 1 1 15 15 TYR QD H . . . . . 3.5 0.0 5.5 . . . . . A . 15 TYR HB2 . . A . 15 TYR QD . . . 15 . HB2 . . . . . 15 . HD# . . rr_1awx 3 6 1 . . 1 1 60 60 TYR HA H . . . 1 1 15 15 TYR QD H . . . . . 5.0 0.0 7.0 . . . . . A . 60 TYR HA . . A . 15 TYR QD . . . 60 . HA . . . . . 15 . HD# . . rr_1awx 3 7 1 . . 1 1 60 60 TYR HB3 H . . . 1 1 15 15 TYR QD H . . . . . 5.0 0.0 7.0 . . . . . A . 60 TYR HB3 . . A . 15 TYR QD . . . 60 . HB1 . . . . . 15 . HD# . . rr_1awx 3 8 1 . . 1 1 15 15 TYR QD H . . . 1 1 60 60 TYR QD H . . . . . 5.0 0.0 9.0 . . . . . A . 15 TYR QD . . A . 60 TYR QD . . . 15 . HD# . . . . . 60 . HD# . . rr_1awx 3 9 1 . . 1 1 15 15 TYR QD H . . . 1 1 60 60 TYR QE H . . . . . 5.0 0.0 9.0 . . . . . A . 15 TYR QD . . A . 60 TYR QE . . . 15 . HD# . . . . . 60 . HE# . . rr_1awx 3 10 1 . . 1 1 16 16 ASP HB3 H . . . 1 1 17 17 TYR HA H . . . . . 5.0 0.0 5.0 . . . . . A . 16 ASP HB3 . . A . 17 TYR HA . . . 16 . HB1 . . . . . 17 . HA . . rr_1awx 3 11 1 OR . 1 1 17 17 TYR HA H . . . 1 1 17 17 TYR HB2 H . . . . . 2.8 0.0 3.5 . . . . . A . 17 TYR HA . . A . 17 TYR HB2 . . . 17 . HA . . . . . 17 . HB# . . rr_1awx 3 11 2 OR . 1 1 17 17 TYR HB3 H . . . 1 1 17 17 TYR HA H . . . . . 2.8 0.0 3.5 . . . . . A . 17 TYR HB3 . . A . 17 TYR HA . . . 17 . HB# . . . . . 17 . HA . . rr_1awx 3 12 1 OR . 1 1 17 17 TYR QD H . . . 1 1 17 17 TYR HB2 H . . . . . 3.5 0.0 6.2 . . . . . A . 17 TYR QD . . A . 17 TYR HB2 . . . 17 . HD# . . . . . 17 . HB# . . rr_1awx 3 12 2 OR . 1 1 17 17 TYR HB3 H . . . 1 1 17 17 TYR QD H . . . . . 3.5 0.0 6.2 . . . . . A . 17 TYR HB3 . . A . 17 TYR QD . . . 17 . HB# . . . . . 17 . HD# . . rr_1awx 3 13 1 . . 1 1 17 17 TYR QD H . . . 1 1 19 19 PRO HA H . . . . . 5.0 0.0 7.0 . . . . . A . 17 TYR QD . . A . 19 PRO HA . . . 17 . HD# . . . . . 19 . HA . . rr_1awx 3 14 1 . . 1 1 17 17 TYR QD H . . . 1 1 26 26 GLN HA H . . . . . 5.0 0.0 7.0 . . . . . A . 17 TYR QD . . A . 26 GLN HA . . . 17 . HD# . . . . . 26 . HA . . rr_1awx 3 15 1 OR . 1 1 17 17 TYR HB2 H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 17 TYR HB2 . . A . 27 LEU MD1 . . . 17 . HB# . . . . . 27 . HD# . . rr_1awx 3 15 2 OR . 1 1 17 17 TYR HB3 H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 17 TYR HB3 . . A . 27 LEU MD1 . . . 17 . HB# . . . . . 27 . HD# . . rr_1awx 3 15 3 OR . 1 1 27 27 LEU MD2 H . . . 1 1 17 17 TYR HB2 H . . . . . 5.0 0.0 7.2 . . . . . A . 27 LEU MD2 . . A . 17 TYR HB2 . . . 27 . HD# . . . . . 17 . HB# . . rr_1awx 3 15 4 OR . 1 1 17 17 TYR HB3 H . . . 1 1 27 27 LEU MD2 H . . . . . 5.0 0.0 7.2 . . . . . A . 17 TYR HB3 . . A . 27 LEU MD2 . . . 17 . HB# . . . . . 27 . HD# . . rr_1awx 3 16 1 . . 1 1 17 17 TYR QD H . . . 1 1 27 27 LEU HG H . . . . . 5.0 0.0 7.0 . . . . . A . 17 TYR QD . . A . 27 LEU HG . . . 17 . HD# . . . . . 27 . HG . . rr_1awx 3 17 1 OR . 1 1 60 60 TYR QD H . . . 1 1 17 17 TYR HB2 H . . . . . 5.0 0.0 7.7 . . . . . A . 60 TYR QD . . A . 17 TYR HB2 . . . 60 . HD# . . . . . 17 . HB# . . rr_1awx 3 17 2 OR . 1 1 17 17 TYR HB3 H . . . 1 1 60 60 TYR QD H . . . . . 5.0 0.0 7.7 . . . . . A . 17 TYR HB3 . . A . 60 TYR QD . . . 17 . HB# . . . . . 60 . HD# . . rr_1awx 3 18 1 OR . 1 1 26 26 GLN HA H . . . 1 1 26 26 GLN HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 26 GLN HA . . A . 26 GLN HG2 . . . 26 . HA . . . . . 26 . HG# . . rr_1awx 3 18 2 OR . 1 1 26 26 GLN HA H . . . 1 1 26 26 GLN HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 26 GLN HA . . A . 26 GLN HG3 . . . 26 . HA . . . . . 26 . HG# . . rr_1awx 3 19 1 OR . 1 1 26 26 GLN HG3 H . . . 1 1 26 26 GLN HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 26 GLN HG3 . . A . 26 GLN HB3 . . . 26 . HG# . . . . . 26 . HB1 . . rr_1awx 3 19 2 OR . 1 1 26 26 GLN HB3 H . . . 1 1 26 26 GLN HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 26 GLN HB3 . . A . 26 GLN HG2 . . . 26 . HB1 . . . . . 26 . HG# . . rr_1awx 3 20 1 OR . 1 1 31 31 ASP HA H . . . 1 1 31 31 ASP HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 31 ASP HA . . A . 31 ASP HB2 . . . 31 . HA . . . . . 31 . HB# . . rr_1awx 3 20 2 OR . 1 1 31 31 ASP HB3 H . . . 1 1 31 31 ASP HA H . . . . . 3.5 0.0 4.2 . . . . . A . 31 ASP HB3 . . A . 31 ASP HA . . . 31 . HB# . . . . . 31 . HA . . rr_1awx 3 21 1 . . 1 1 32 32 GLU HA H . . . 1 1 33 33 TYR QD H . . . . . 5.0 0.0 7.0 . . . . . A . 32 GLU HA . . A . 33 TYR QD . . . 32 . HA . . . . . 33 . HD# . . rr_1awx 3 22 1 . . 1 1 32 32 GLU HA H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 7.0 . . . . . A . 32 GLU HA . . A . 33 TYR QE . . . 32 . HA . . . . . 33 . HE# . . rr_1awx 3 23 1 . . 1 1 33 33 TYR HA H . . . 1 1 33 33 TYR QD H . . . . . 5.0 0.0 7.0 . . . . . A . 33 TYR HA . . A . 33 TYR QD . . . 33 . HA . . . . . 33 . HD# . . rr_1awx 3 24 1 . . 1 1 33 33 TYR HA H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 7.0 . . . . . A . 33 TYR HA . . A . 33 TYR QE . . . 33 . HA . . . . . 33 . HE# . . rr_1awx 3 25 1 . . 1 1 33 33 TYR HB3 H . . . 1 1 33 33 TYR QD H . . . . . 2.8 0.0 4.8 . . . . . A . 33 TYR HB3 . . A . 33 TYR QD . . . 33 . HB1 . . . . . 33 . HD# . . rr_1awx 3 26 1 . . 1 1 33 33 TYR HB3 H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 7.0 . . . . . A . 33 TYR HB3 . . A . 33 TYR QE . . . 33 . HB1 . . . . . 33 . HE# . . rr_1awx 3 27 1 . . 1 1 33 33 TYR HA H . . . 1 1 48 48 ASP HA H . . . . . 3.5 0.0 3.5 . . . . . A . 33 TYR HA . . A . 48 ASP HA . . . 33 . HA . . . . . 48 . HA . . rr_1awx 3 28 1 . . 1 1 33 33 TYR QD H . . . 1 1 48 48 ASP HA H . . . . . 3.5 0.0 5.5 . . . . . A . 33 TYR QD . . A . 48 ASP HA . . . 33 . HD# . . . . . 48 . HA . . rr_1awx 3 29 1 . . 1 1 33 33 TYR QD H . . . 1 1 48 48 ASP HB3 H . . . . . 3.5 0.0 5.5 . . . . . A . 33 TYR QD . . A . 48 ASP HB3 . . . 33 . HD# . . . . . 48 . HB1 . . rr_1awx 3 30 1 . . 1 1 48 48 ASP HA H . . . 1 1 33 33 TYR QE H . . . . . 3.5 0.0 5.5 . . . . . A . 48 ASP HA . . A . 33 TYR QE . . . 48 . HA . . . . . 33 . HE# . . rr_1awx 3 31 1 . . 1 1 48 48 ASP HB3 H . . . 1 1 33 33 TYR QE H . . . . . 3.5 0.0 5.5 . . . . . A . 48 ASP HB3 . . A . 33 TYR QE . . . 48 . HB1 . . . . . 33 . HE# . . rr_1awx 3 32 1 . . 1 1 34 34 PHE HA H . . . 1 1 34 34 PHE HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 34 PHE HA . . A . 34 PHE HB2 . . . 34 . HA . . . . . 34 . HB2 . . rr_1awx 3 33 1 . . 1 1 34 34 PHE QD H . . . 1 1 34 34 PHE HB2 H . . . . . 3.5 0.0 5.5 . . . . . A . 34 PHE QD . . A . 34 PHE HB2 . . . 34 . HD# . . . . . 34 . HB2 . . rr_1awx 3 34 1 . . 1 1 35 35 ILE HA H . . . 1 1 46 46 ALA HA H . . . . . 2.8 0.0 2.8 . . . . . A . 35 ILE HA . . A . 46 ALA HA . . . 35 . HA . . . . . 46 . HA . . rr_1awx 3 35 1 . . 1 1 43 43 TRP HA H . . . 1 1 43 43 TRP HD1 H . . . . . 5.0 0.0 5.0 . . . . . A . 43 TRP HA . . A . 43 TRP HD1 . . . 43 . HA . . . . . 43 . HD1 . . rr_1awx 3 36 1 . . 1 1 43 43 TRP HB3 H . . . 1 1 43 43 TRP HD1 H . . . . . 3.5 0.0 3.5 . . . . . A . 43 TRP HB3 . . A . 43 TRP HD1 . . . 43 . HB1 . . . . . 43 . HD1 . . rr_1awx 3 37 1 . . 1 1 44 44 TRP HB3 H . . . 1 1 44 44 TRP HD1 H . . . . . 3.5 0.0 3.5 . . . . . A . 44 TRP HB3 . . A . 44 TRP HD1 . . . 44 . HB1 . . . . . 44 . HD1 . . rr_1awx 3 38 1 . . 1 1 60 60 TYR HA H . . . 1 1 60 60 TYR HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 60 TYR HA . . A . 60 TYR HB3 . . . 60 . HA . . . . . 60 . HB1 . . rr_1awx 3 39 1 . . 1 1 60 60 TYR HB3 H . . . 1 1 60 60 TYR QD H . . . . . 3.5 0.0 5.5 . . . . . A . 60 TYR HB3 . . A . 60 TYR QD . . . 60 . HB1 . . . . . 60 . HD# . . rr_1awx 3 40 1 . . 1 1 60 60 TYR HB3 H . . . 1 1 60 60 TYR QE H . . . . . 5.0 0.0 7.0 . . . . . A . 60 TYR HB3 . . A . 60 TYR QE . . . 60 . HB1 . . . . . 60 . HE# . . rr_1awx 3 41 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB3 H . . . . . 2.8 0.0 3.5 . . . . . A . 10 LYS HA . . A . 10 LYS HB3 . . . 10 . HA . . . . . 10 . HB# . . rr_1awx 3 41 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB2 H . . . . . 2.8 0.0 3.5 . . . . . A . 10 LYS HA . . A . 10 LYS HB2 . . . 10 . HA . . . . . 10 . HB# . . rr_1awx 3 42 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 10 LYS HA . . A . 10 LYS HG2 . . . 10 . HA . . . . . 10 . HG# . . rr_1awx 3 42 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 10 LYS HA . . A . 10 LYS HG3 . . . 10 . HA . . . . . 10 . HG# . . rr_1awx 3 43 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD2 H . . . . . 5.0 0.0 5.7 . . . . . A . 10 LYS HA . . A . 10 LYS HD2 . . . 10 . HA . . . . . 10 . HD# . . rr_1awx 3 43 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD3 H . . . . . 5.0 0.0 5.7 . . . . . A . 10 LYS HA . . A . 10 LYS HD3 . . . 10 . HA . . . . . 10 . HD# . . rr_1awx 3 44 1 OR . 1 1 10 10 LYS HA H . . . 1 1 11 11 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 10 LYS HA . . A . 11 VAL MG1 . . . 10 . HA . . . . . 11 . HG# . . rr_1awx 3 44 2 OR . 1 1 10 10 LYS HA H . . . 1 1 11 11 VAL MG2 H . . . . . 5.0 0.0 6.5 . . . . . A . 10 LYS HA . . A . 11 VAL MG2 . . . 10 . HA . . . . . 11 . HG# . . rr_1awx 3 45 1 . . 1 1 10 10 LYS HB2 H . . . 1 1 34 34 PHE QE H . . . . . 3.5 0.0 5.5 . . . . . A . 10 LYS HB2 . . A . 34 PHE QE . . . 10 . HB2 . . . . . 34 . HE# . . rr_1awx 3 46 1 OR . 1 1 34 34 PHE HA H . . . 1 1 10 10 LYS HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 34 PHE HA . . A . 10 LYS HG2 . . . 34 . HA . . . . . 10 . HG# . . rr_1awx 3 46 2 OR . 1 1 10 10 LYS HG3 H . . . 1 1 34 34 PHE HA H . . . . . 5.0 0.0 5.7 . . . . . A . 10 LYS HG3 . . A . 34 PHE HA . . . 10 . HG# . . . . . 34 . HA . . rr_1awx 3 47 1 OR . 1 1 11 11 VAL HA H . . . 1 1 11 11 VAL MG1 H . . . . . 3.5 0.0 5.0 . . . . . A . 11 VAL HA . . A . 11 VAL MG1 . . . 11 . HA . . . . . 11 . HG# . . rr_1awx 3 47 2 OR . 1 1 11 11 VAL HA H . . . 1 1 11 11 VAL MG2 H . . . . . 3.5 0.0 5.0 . . . . . A . 11 VAL HA . . A . 11 VAL MG2 . . . 11 . HA . . . . . 11 . HG# . . rr_1awx 3 48 1 . . 1 1 11 11 VAL HB H . . . 1 1 61 61 VAL HA H . . . . . 5.0 0.0 5.0 . . . . . A . 11 VAL HB . . A . 61 VAL HA . . . 11 . HB . . . . . 61 . HA . . rr_1awx 3 49 1 OR . 1 1 11 11 VAL HA H . . . 1 1 63 63 GLU HG2 H . . . . . 5.0 0.0 5.7 . . . . . A . 11 VAL HA . . A . 63 GLU HG2 . . . 11 . HA . . . . . 63 . HG# . . rr_1awx 3 49 2 OR . 1 1 11 11 VAL HA H . . . 1 1 63 63 GLU HG3 H . . . . . 5.0 0.0 5.7 . . . . . A . 11 VAL HA . . A . 63 GLU HG3 . . . 11 . HA . . . . . 63 . HG# . . rr_1awx 3 50 1 . . 1 1 12 12 VAL HB H . . . 1 1 32 32 GLU HA H . . . . . 5.0 0.0 5.0 . . . . . A . 12 VAL HB . . A . 32 GLU HA . . . 12 . HB . . . . . 32 . HA . . rr_1awx 3 51 1 . . 1 1 12 12 VAL HA H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 7.0 . . . . . A . 12 VAL HA . . A . 33 TYR QE . . . 12 . HA . . . . . 33 . HE# . . rr_1awx 3 52 1 . . 1 1 12 12 VAL HA H . . . 1 1 64 64 ALA MB H . . . . . 5.0 0.0 5.4 . . . . . A . 12 VAL HA . . A . 64 ALA MB . . . 12 . HA . . . . . 64 . HB# . . rr_1awx 3 53 1 OR . 1 1 61 61 VAL HA H . . . 1 1 14 14 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 61 VAL HA . . A . 14 LEU MD1 . . . 61 . HA . . . . . 14 . HD# . . rr_1awx 3 53 2 OR . 1 1 14 14 LEU MD2 H . . . 1 1 61 61 VAL HA H . . . . . 5.0 0.0 6.5 . . . . . A . 14 LEU MD2 . . A . 61 VAL HA . . . 14 . HD# . . . . . 61 . HA . . rr_1awx 3 54 1 . . 1 1 19 19 PRO HA H . . . 1 1 17 17 TYR QE H . . . . . 3.5 0.0 5.5 . . . . . A . 19 PRO HA . . A . 17 TYR QE . . . 19 . HA . . . . . 17 . HE# . . rr_1awx 3 55 1 . . 1 1 27 27 LEU HB2 H . . . 1 1 56 56 ILE HA H . . . . . 5.0 0.0 5.0 . . . . . A . 27 LEU HB2 . . A . 56 ILE HA . . . 27 . HB2 . . . . . 56 . HA . . rr_1awx 3 56 1 OR . 1 1 56 56 ILE HA H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 56 ILE HA . . A . 27 LEU MD1 . . . 56 . HA . . . . . 27 . HD# . . rr_1awx 3 56 2 OR . 1 1 27 27 LEU MD2 H . . . 1 1 56 56 ILE HA H . . . . . 5.0 0.0 6.5 . . . . . A . 27 LEU MD2 . . A . 56 ILE HA . . . 27 . HD# . . . . . 56 . HA . . rr_1awx 3 57 1 . . 1 1 26 26 GLN HA H . . . 1 1 18 18 MET HA H . . . . . 5.0 0.0 5.0 . . . . . A . 26 GLN HA . . A . 18 MET HA . . . 26 . HA . . . . . 18 . HA . . rr_1awx 3 58 1 OR . 1 1 18 18 MET HA H . . . 1 1 26 26 GLN HB3 H . . . . . 5.0 0.0 5.7 . . . . . A . 18 MET HA . . A . 26 GLN HB3 . . . 18 . HA . . . . . 26 . HB# . . rr_1awx 3 58 2 OR . 1 1 26 26 GLN HB2 H . . . 1 1 18 18 MET HA H . . . . . 5.0 0.0 5.7 . . . . . A . 26 GLN HB2 . . A . 18 MET HA . . . 26 . HB# . . . . . 18 . HA . . rr_1awx 3 59 1 . . 1 1 27 27 LEU HB2 H . . . 1 1 18 18 MET HA H . . . . . 5.0 0.0 5.0 . . . . . A . 27 LEU HB2 . . A . 18 MET HA . . . 27 . HB2 . . . . . 18 . HA . . rr_1awx 3 60 1 OR . 1 1 20 20 MET HA H . . . 1 1 20 20 MET HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 20 MET HA . . A . 20 MET HG2 . . . 20 . HA . . . . . 20 . HG# . . rr_1awx 3 60 2 OR . 1 1 20 20 MET HA H . . . 1 1 20 20 MET HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 20 MET HA . . A . 20 MET HG3 . . . 20 . HA . . . . . 20 . HG# . . rr_1awx 3 61 1 . . 1 1 23 23 ASN HB3 H . . . 1 1 55 55 TYR HA H . . . . . 5.0 0.0 5.7 . . . . . A . 23 ASN HB3 . . A . 55 TYR HA . . . 23 . HB1 . . . . . 55 . HA . . rr_1awx 3 62 1 OR . 1 1 24 24 ASP HA H . . . 1 1 54 54 GLY HA2 H . . . . . 5.0 0.0 5.7 . . . . . A . 24 ASP HA . . A . 54 GLY HA2 . . . 24 . HA . . . . . 54 . HA# . . rr_1awx 3 62 2 OR . 1 1 24 24 ASP HA H . . . 1 1 54 54 GLY HA3 H . . . . . 5.0 0.0 5.7 . . . . . A . 24 ASP HA . . A . 54 GLY HA3 . . . 24 . HA . . . . . 54 . HA# . . rr_1awx 3 63 1 OR . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU MD1 H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU HA . . A . 25 LEU MD1 . . . 25 . HA . . . . . 25 . HD# . . rr_1awx 3 63 2 OR . 1 1 25 25 LEU HA H . . . 1 1 25 25 LEU MD2 H . . . . . 5.0 0.0 6.5 . . . . . A . 25 LEU HA . . A . 25 LEU MD2 . . . 25 . HA . . . . . 25 . HD# . . rr_1awx 3 64 1 OR . 1 1 28 28 ARG HA H . . . 1 1 28 28 ARG HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 28 ARG HA . . A . 28 ARG HG2 . . . 28 . HA . . . . . 28 . HG# . . rr_1awx 3 64 2 OR . 1 1 28 28 ARG HA H . . . 1 1 28 28 ARG HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 28 ARG HA . . A . 28 ARG HG3 . . . 28 . HA . . . . . 28 . HG# . . rr_1awx 3 65 1 OR . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HB2 H . . . . . 3.5 0.0 4.2 . . . . . A . 29 LYS HA . . A . 29 LYS HB2 . . . 29 . HA . . . . . 29 . HB# . . rr_1awx 3 65 2 OR . 1 1 29 29 LYS HA H . . . 1 1 29 29 LYS HB3 H . . . . . 3.5 0.0 4.2 . . . . . A . 29 LYS HA . . A . 29 LYS HB3 . . . 29 . HA . . . . . 29 . HB# . . rr_1awx 3 66 1 . . 1 1 33 33 TYR HA H . . . 1 1 33 33 TYR HB2 H . . . . . 3.5 0.0 3.5 . . . . . A . 33 TYR HA . . A . 33 TYR HB2 . . . 33 . HA . . . . . 33 . HB2 . . rr_1awx 3 67 1 . . 1 1 33 33 TYR HB3 H . . . 1 1 48 48 ASP HA H . . . . . 5.0 0.0 5.0 . . . . . A . 33 TYR HB3 . . A . 48 ASP HA . . . 33 . HB1 . . . . . 48 . HA . . rr_1awx 3 68 1 . . 1 1 33 33 TYR QD H . . . 1 1 56 56 ILE MG H . . . . . 5.0 0.0 7.4 . . . . . A . 33 TYR QD . . A . 56 ILE MG . . . 33 . HD# . . . . . 56 . HG2# . . rr_1awx 3 69 1 . . 1 1 56 56 ILE MD H . . . 1 1 17 17 TYR QE H . . . . . 5.0 0.0 7.4 . . . . . A . 56 ILE MD . . A . 17 TYR QE . . . 56 . HD1# . . . . . 17 . HE# . . rr_1awx 3 70 1 . . 1 1 34 34 PHE HA H . . . 1 1 34 34 PHE QD H . . . . . 3.5 0.0 5.5 . . . . . A . 34 PHE HA . . A . 34 PHE QD . . . 34 . HA . . . . . 34 . HD# . . rr_1awx 3 71 1 . . 1 1 35 35 ILE HA H . . . 1 1 35 35 ILE MG H . . . . . 3.5 0.0 3.9 . . . . . A . 35 ILE HA . . A . 35 ILE MG . . . 35 . HA . . . . . 35 . HG2# . . rr_1awx 3 72 1 . . 1 1 35 35 ILE HA H . . . 1 1 35 35 ILE MD H . . . . . 3.5 0.0 3.9 . . . . . A . 35 ILE HA . . A . 35 ILE MD . . . 35 . HA . . . . . 35 . HD1# . . rr_1awx 3 73 1 . . 1 1 35 35 ILE MG H . . . 1 1 46 46 ALA HA H . . . . . 5.0 0.0 5.4 . . . . . A . 35 ILE MG . . A . 46 ALA HA . . . 35 . HG2# . . . . . 46 . HA . . rr_1awx 3 74 1 OR . 1 1 36 36 LEU HA H . . . 1 1 36 36 LEU MD1 H . . . . . 3.5 0.0 5.0 . . . . . A . 36 LEU HA . . A . 36 LEU MD1 . . . 36 . HA . . . . . 36 . HD# . . rr_1awx 3 74 2 OR . 1 1 36 36 LEU HA H . . . 1 1 36 36 LEU MD2 H . . . . . 3.5 0.0 5.0 . . . . . A . 36 LEU HA . . A . 36 LEU MD2 . . . 36 . HA . . . . . 36 . HD# . . rr_1awx 3 75 1 OR . 1 1 36 36 LEU HB2 H . . . 1 1 36 36 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 36 LEU HB2 . . A . 36 LEU MD1 . . . 36 . HB# . . . . . 36 . HD# . . rr_1awx 3 75 2 OR . 1 1 36 36 LEU HB3 H . . . 1 1 36 36 LEU MD1 H . . . . . 5.0 0.0 7.2 . . . . . A . 36 LEU HB3 . . A . 36 LEU MD1 . . . 36 . HB# . . . . . 36 . HD# . . rr_1awx 3 75 3 OR . 1 1 36 36 LEU MD2 H . . . 1 1 36 36 LEU HB2 H . . . . . 5.0 0.0 7.2 . . . . . A . 36 LEU MD2 . . A . 36 LEU HB2 . . . 36 . HD# . . . . . 36 . HB# . . rr_1awx 3 75 4 OR . 1 1 36 36 LEU HB3 H . . . 1 1 36 36 LEU MD2 H . . . . . 5.0 0.0 7.2 . . . . . A . 36 LEU HB3 . . A . 36 LEU MD2 . . . 36 . HB# . . . . . 36 . HD# . . rr_1awx 3 76 1 . . 1 1 38 38 GLU HA H . . . 1 1 44 44 TRP HA H . . . . . 5.0 0.0 5.0 . . . . . A . 38 GLU HA . . A . 44 TRP HA . . . 38 . HA . . . . . 44 . HA . . rr_1awx 3 77 1 . . 1 1 39 39 SER HA H . . . 1 1 39 39 SER HB3 H . . . . . 3.5 0.0 3.5 . . . . . A . 39 SER HA . . A . 39 SER HB3 . . . 39 . HA . . . . . 39 . HB1 . . rr_1awx 3 78 1 . . 1 1 44 44 TRP HA H . . . 1 1 44 44 TRP HB2 H . . . . . 5.0 0.0 5.0 . . . . . A . 44 TRP HA . . A . 44 TRP HB2 . . . 44 . HA . . . . . 44 . HB2 . . rr_1awx 3 79 1 . . 1 1 46 46 ALA MB H . . . 1 1 44 44 TRP HZ3 H . . . . . 5.0 0.0 5.4 . . . . . A . 46 ALA MB . . A . 44 TRP HZ3 . . . 46 . HB# . . . . . 44 . HZ3 . . rr_1awx 3 80 1 . . 1 1 56 56 ILE MG H . . . 1 1 44 44 TRP HE3 H . . . . . 5.0 0.0 5.4 . . . . . A . 56 ILE MG . . A . 44 TRP HE3 . . . 56 . HG2# . . . . . 44 . HE3 . . rr_1awx 3 81 1 OR . 1 1 44 44 TRP HE3 H . . . 1 1 61 61 VAL MG1 H . . . . . 5.0 0.0 6.5 . . . . . A . 44 TRP HE3 . . A . 61 VAL MG1 . . . 44 . HE3 . . . . . 61 . HG# . . rr_1awx 3 81 2 OR . 1 1 61 61 VAL MG2 H . . . 1 1 44 44 TRP HE3 H . . . . . 5.0 0.0 6.5 . . . . . A . 61 VAL MG2 . . A . 44 TRP HE3 . . . 61 . HG# . . . . . 44 . HE3 . . rr_1awx 3 82 1 . . 1 1 47 47 ARG HB2 H . . . 1 1 53 53 GLU HA H . . . . . 5.0 0.0 5.0 . . . . . A . 47 ARG HB2 . . A . 53 GLU HA . . . 47 . HB2 . . . . . 53 . HA . . rr_1awx 3 83 1 . . 1 1 48 48 ASP HA H . . . 1 1 49 49 LYS HA H . . . . . 5.0 0.0 5.0 . . . . . A . 48 ASP HA . . A . 49 LYS HA . . . 48 . HA . . . . . 49 . HA . . rr_1awx 3 84 1 OR . 1 1 52 52 GLN HA H . . . 1 1 52 52 GLN HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 52 GLN HA . . A . 52 GLN HG2 . . . 52 . HA . . . . . 52 . HG# . . rr_1awx 3 84 2 OR . 1 1 52 52 GLN HA H . . . 1 1 52 52 GLN HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 52 GLN HA . . A . 52 GLN HG3 . . . 52 . HA . . . . . 52 . HG# . . rr_1awx 3 85 1 . . 1 1 56 56 ILE HA H . . . 1 1 56 56 ILE MG H . . . . . 5.0 0.0 5.4 . . . . . A . 56 ILE HA . . A . 56 ILE MG . . . 56 . HA . . . . . 56 . HG2# . . rr_1awx 3 86 1 OR . 1 1 56 56 ILE HA H . . . 1 1 57 57 PRO HD2 H . . . . . 3.5 0.0 4.2 . . . . . A . 56 ILE HA . . A . 57 PRO HD2 . . . 56 . HA . . . . . 57 . HD# . . rr_1awx 3 86 2 OR . 1 1 56 56 ILE HA H . . . 1 1 57 57 PRO HD3 H . . . . . 3.5 0.0 4.2 . . . . . A . 56 ILE HA . . A . 57 PRO HD3 . . . 56 . HA . . . . . 57 . HD# . . rr_1awx 3 87 1 . . 1 1 61 61 VAL HA H . . . 1 1 56 56 ILE MG H . . . . . 5.0 0.0 5.4 . . . . . A . 61 VAL HA . . A . 56 ILE MG . . . 61 . HA . . . . . 56 . HG2# . . rr_1awx 3 88 1 . . 1 1 62 62 THR HB H . . . 1 1 62 62 THR HA H . . . . . 2.8 0.0 2.8 . . . . . A . 62 THR HB . . A . 62 THR HA . . . 62 . HB . . . . . 62 . HA . . rr_1awx 3 89 1 . . 1 1 62 62 THR MG H . . . 1 1 62 62 THR HA H . . . . . 5.0 0.0 5.4 . . . . . A . 62 THR MG . . A . 62 THR HA . . . 62 . HG2# . . . . . 62 . HA . . rr_1awx 3 90 1 OR . 1 1 65 65 GLU HA H . . . 1 1 65 65 GLU HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 65 GLU HA . . A . 65 GLU HG2 . . . 65 . HA . . . . . 65 . HG# . . rr_1awx 3 90 2 OR . 1 1 65 65 GLU HA H . . . 1 1 65 65 GLU HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 65 GLU HA . . A . 65 GLU HG3 . . . 65 . HA . . . . . 65 . HG# . . rr_1awx 3 91 1 . . 1 1 13 13 ALA MB H . . . 1 1 33 33 TYR QD H . . . . . 5.0 0.0 7.4 . . . . . A . 13 ALA MB . . A . 33 TYR QD . . . 13 . HB# . . . . . 33 . HD# . . rr_1awx 3 92 1 . . 1 1 13 13 ALA MB H . . . 1 1 33 33 TYR QE H . . . . . 3.5 0.0 5.9 . . . . . A . 13 ALA MB . . A . 33 TYR QE . . . 13 . HB# . . . . . 33 . HE# . . rr_1awx 3 93 1 OR . 1 1 33 33 TYR QD H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 8.5 . . . . . A . 33 TYR QD . . A . 27 LEU MD1 . . . 33 . HD# . . . . . 27 . HD# . . rr_1awx 3 93 2 OR . 1 1 27 27 LEU MD2 H . . . 1 1 33 33 TYR QD H . . . . . 5.0 0.0 8.5 . . . . . A . 27 LEU MD2 . . A . 33 TYR QD . . . 27 . HD# . . . . . 33 . HD# . . rr_1awx 3 94 1 OR . 1 1 33 33 TYR QE H . . . 1 1 27 27 LEU MD1 H . . . . . 5.0 0.0 8.5 . . . . . A . 33 TYR QE . . A . 27 LEU MD1 . . . 33 . HE# . . . . . 27 . HD# . . rr_1awx 3 94 2 OR . 1 1 27 27 LEU MD2 H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 8.5 . . . . . A . 27 LEU MD2 . . A . 33 TYR QE . . . 27 . HD# . . . . . 33 . HE# . . rr_1awx 3 95 1 . . 1 1 33 33 TYR QD H . . . 1 1 46 46 ALA MB H . . . . . 5.0 0.0 7.4 . . . . . A . 33 TYR QD . . A . 46 ALA MB . . . 33 . HD# . . . . . 46 . HB# . . rr_1awx 3 96 1 . . 1 1 46 46 ALA MB H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 7.4 . . . . . A . 46 ALA MB . . A . 33 TYR QE . . . 46 . HB# . . . . . 33 . HE# . . rr_1awx 3 97 1 . . 1 1 33 33 TYR QD H . . . 1 1 48 48 ASP H H . . . . . 5.0 0.0 7.0 . . . . . A . 33 TYR QD . . A . 48 ASP H . . . 33 . HD# . . . . . 48 . HN . . rr_1awx 3 98 1 . . 1 1 49 49 LYS H H . . . 1 1 33 33 TYR QE H . . . . . 5.0 0.0 7.0 . . . . . A . 49 LYS H . . A . 33 TYR QE . . . 49 . HN . . . . . 33 . HE# . . rr_1awx 3 99 1 . . 1 1 38 38 GLU H H . . . 1 1 41 41 LEU H H . . . . . 6.0 0.0 6.0 . . . . . A . 38 GLU H . . A . 41 LEU H . . . 38 . HN . . . . . 41 . HN . . rr_1awx 3 100 1 OR . 1 1 41 41 LEU HA H . . . 1 1 42 42 PRO HD2 H . . . . . 5.0 0.0 5.7 . . . . . A . 41 LEU HA . . A . 42 PRO HD2 . . . 41 . HA . . . . . 42 . HD# . . rr_1awx 3 100 2 OR . 1 1 41 41 LEU HA H . . . 1 1 42 42 PRO HD3 H . . . . . 5.0 0.0 5.7 . . . . . A . 41 LEU HA . . A . 42 PRO HD3 . . . 41 . HA . . . . . 42 . HD# . . rr_1awx 3 101 1 . . 1 1 42 42 PRO HA H . . . 1 1 43 43 TRP HD1 H . . . . . 6.0 0.0 6.0 . . . . . A . 42 PRO HA . . A . 43 TRP HD1 . . . 42 . HA . . . . . 43 . HD1 . . rr_1awx 3 102 1 . . 1 1 56 56 ILE HA H . . . 1 1 43 43 TRP HZ3 H . . . . . 5.0 0.0 5.7 . . . . . A . 56 ILE HA . . A . 43 TRP HZ3 . . . 56 . HA . . . . . 43 . HZ3 . . rr_1awx 3 103 1 . . 1 1 44 44 TRP H H . . . 1 1 56 56 ILE MG H . . . . . 5.0 0.0 5.4 . . . . . A . 44 TRP H . . A . 56 ILE MG . . . 44 . HN . . . . . 56 . HG2# . . rr_1awx 3 104 1 OR . 1 1 56 56 ILE HA H . . . 1 1 57 57 PRO HD2 H . . . . . 3.5 0.0 4.2 . . . . . A . 56 ILE HA . . A . 57 PRO HD2 . . . 56 . HA . . . . . 57 . HD# . . rr_1awx 3 104 2 OR . 1 1 56 56 ILE HA H . . . 1 1 57 57 PRO HD3 H . . . . . 3.5 0.0 4.2 . . . . . A . 56 ILE HA . . A . 57 PRO HD3 . . . 56 . HA . . . . . 57 . HD# . . rr_1awx 3 105 1 OR . 1 1 65 65 GLU HA H . . . 1 1 65 65 GLU HG2 H . . . . . 3.5 0.0 4.2 . . . . . A . 65 GLU HA . . A . 65 GLU HG2 . . . 65 . HA . . . . . 65 . HG# . . rr_1awx 3 105 2 OR . 1 1 65 65 GLU HA H . . . 1 1 65 65 GLU HG3 H . . . . . 3.5 0.0 4.2 . . . . . A . 65 GLU HA . . A . 65 GLU HG3 . . . 65 . HA . . . . . 65 . HG# . . rr_1awx 3 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; Restraints derived from tnnoesy-spectra (60ms mixing-time, in D2O) residue 12 Val , NOEs forward in sequence ; 2 1 4 46 rr_1awx 3 2 ; residue 13 Ala , intraresidue NOEs residue 13 Ala , NOEs forward in sequence residue 14 Leu , intraresidue NOEs residue 14 Leu , NOEs forward in sequence ; 8 1 14 46 rr_1awx 3 3 'residue 15 Tyr , intraresidue NOEs' 18 1 18 39 rr_1awx 3 4 'residue 15 Tyr , NOEs forward in sequence' 21 1 21 46 rr_1awx 3 5 ; residue 16 Asp , intraresidue NOEs residue 16 Asp , NOEs forward in sequence ; 27 1 29 46 rr_1awx 3 6 'residue 17 Tyr , intraresidue NOEs' 32 1 32 39 rr_1awx 3 7 'residue 17 Tyr , NOEs forward in sequence' 36 1 36 46 rr_1awx 3 8 ; residue 18 Met , intraresidue NOEs residue 18 Met , NOEs forward in sequence residue 19 Pro , intraresidue NOEs residue 19 Pro , NOEs forward in sequence residue 20 Met , intraresidue NOEs residue 20 Met , NOEs forward in sequence residue 21 Asn , intraresidue NOEs residue 21 Asn , NOEs forward in sequence residue 22 Ala , intraresidue NOEs residue 22 Ala , NOEs forward in sequence residue 23 Asn , intraresidue NOEs residue 23 Asn , NOEs forward in sequence residue 24 Asp , intraresidue NOEs residue 24 Asp , NOEs forward in sequence residue 25 Leu , intraresidue NOEs residue 25 Leu , NOEs forward in sequence residue 26 Gln , intraresidue NOEs ; 43 1 75 39 rr_1awx 3 9 ; residue 26 Gln , NOEs forward in sequence residue 27 Leu , intraresidue NOEs residue 27 Leu , NOEs forward in sequence residue 28 Arg , intraresidue NOEs residue 28 Arg , NOEs forward in sequence residue 29 Lys , intraresidue NOEs residue 29 Lys , NOEs forward in sequence residue 30 Gly , intraresidue NOEs residue 30 Gly , NOEs forward in sequence residue 31 Asp , intraresidue NOEs ; 79 1 97 39 rr_1awx 3 10 ; residue 31 Asp , NOEs forward in sequence residue 32 Glu , intraresidue NOEs residue 32 Glu , NOEs forward in sequence ; 100 1 104 46 rr_1awx 3 11 'residue 33 Tyr , intraresidue NOEs' 108 1 108 39 rr_1awx 3 12 'residue 33 Tyr , NOEs forward in sequence' 114 1 114 46 rr_1awx 3 13 'residue 34 Phe , intraresidue NOEs' 121 1 121 39 rr_1awx 3 14 ; residue 34 Phe , NOEs forward in sequence residue 35 Ile , intraresidue NOEs residue 35 Ile , NOEs forward in sequence ; 125 1 129 46 rr_1awx 3 15 ; residue 36 Leu , intraresidue NOEs residue 36 Leu , NOEs forward in sequence residue 37 Glu , intraresidue NOEs residue 37 Glu , NOEs forward in sequence residue 38 Glu , intraresidue NOEs residue 38 Glu , NOEs forward in sequence residue 39 Ser , intraresidue NOEs residue 39 Ser , NOEs forward in sequence residue 40 Asn , intraresidue NOEs residue 40 Asn , NOEs forward in sequence residue 41 Leu , intraresidue NOEs residue 41 Leu , NOEs forward in sequence residue 42 Pro , intraresidue NOEs residue 42 Pro , NOEs forward in sequence residue 43 Trp , intraresidue NOEs ; 132 1 160 39 rr_1awx 3 16 ; residue 43 Trp , NOEs forward in sequence residue 44 Trp , intraresidue NOEs ; 164 1 166 39 rr_1awx 3 17 ; residue 44 Trp , NOEs forward in sequence residue 45 Arg , intraresidue NOEs residue 45 Arg , NOEs forward in sequence residue 46 Ala , intraresidue NOEs residue 46 Ala , NOEs forward in sequence residue 47 Arg , intraresidue NOEs residue 47 Arg , NOEs forward in sequence residue 48 Asp , intraresidue NOEs residue 48 Asp , NOEs forward in sequence residue 49 Lys , intraresidue NOEs residue 49 Lys , NOEs forward in sequence residue 50 Asn , intraresidue NOEs residue 50 Asn , NOEs forward in sequence residue 51 Gly , intraresidue NOEs residue 51 Gly , NOEs forward in sequence residue 52 Gln , intraresidue NOEs residue 52 Gln , NOEs forward in sequence residue 53 Glu , intraresidue NOEs residue 53 Glu , NOEs forward in sequence residue 54 Gly , intraresidue NOEs residue 54 Gly , NOEs forward in sequence residue 55 Tyr , intraresidue NOEs residue 55 Tyr , NOEs forward in sequence residue 56 Ile , intraresidue NOEs residue 56 Ile , NOEs forward in sequence residue 57 Pro , intraresidue NOEs residue 57 Pro , NOEs forward in sequence residue 58 Ser , intraresidue NOEs residue 58 Ser , NOEs forward in sequence residue 59 Asn , intraresidue NOEs residue 59 Asn , NOEs forward in sequence residue 60 Tyr , intraresidue NOEs ; 169 1 231 39 rr_1awx 3 18 'additional restraints' 237 1 237 23 rr_1awx 3 19 'additional NOE:s 9704' 289 1 289 23 rr_1awx 3 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_7 _Gen_dist_constraint_list.Entry_ID rr_1awx _Gen_dist_constraint_list.ID 4 _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 7 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_1awx 4 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 33 33 TYR H H . . . 1 1 11 11 VAL O O . . . . . 2.0 1.8 2.4 . . . . . A . 33 TYR H . . A . 11 VAL O . . . 33 . HN . . . . . 11 . O . . rr_1awx 4 2 1 . . 1 1 11 11 VAL O O . . . 1 1 33 33 TYR N N . . . . . 2.8 2.6 3.2 . . . . . A . 11 VAL O . . A . 33 TYR N . . . 11 . O . . . . . 33 . N . . rr_1awx 4 3 1 . . 1 1 11 11 VAL H H . . . 1 1 33 33 TYR O O . . . . . 2.0 1.8 2.4 . . . . . A . 11 VAL H . . A . 33 TYR O . . . 11 . HN . . . . . 33 . O . . rr_1awx 4 4 1 . . 1 1 33 33 TYR O O . . . 1 1 11 11 VAL N N . . . . . 2.8 2.6 3.2 . . . . . A . 33 TYR O . . A . 11 VAL N . . . 33 . O . . . . . 11 . N . . rr_1awx 4 5 1 . . 1 1 13 13 ALA H H . . . 1 1 31 31 ASP O O . . . . . 2.0 1.8 2.4 . . . . . A . 13 ALA H . . A . 31 ASP O . . . 13 . HN . . . . . 31 . O . . rr_1awx 4 6 1 . . 1 1 31 31 ASP O O . . . 1 1 13 13 ALA N N . . . . . 2.8 2.6 3.2 . . . . . A . 31 ASP O . . A . 13 ALA N . . . 31 . O . . . . . 13 . N . . rr_1awx 4 7 1 . . 1 1 62 62 THR H H . . . 1 1 12 12 VAL O O . . . . . 2.0 1.8 2.4 . . . . . A . 62 THR H . . A . 12 VAL O . . . 62 . HN . . . . . 12 . O . . rr_1awx 4 8 1 . . 1 1 12 12 VAL O O . . . 1 1 62 62 THR N N . . . . . 2.8 2.6 3.2 . . . . . A . 12 VAL O . . A . 62 THR N . . . 12 . O . . . . . 62 . N . . rr_1awx 4 9 1 . . 1 1 14 14 LEU H H . . . 1 1 60 60 TYR O O . . . . . 2.0 1.8 2.4 . . . . . A . 14 LEU H . . A . 60 TYR O . . . 14 . HN . . . . . 60 . O . . rr_1awx 4 10 1 . . 1 1 60 60 TYR O O . . . 1 1 14 14 LEU N N . . . . . 2.8 2.6 3.2 . . . . . A . 60 TYR O . . A . 14 LEU N . . . 60 . O . . . . . 14 . N . . rr_1awx 4 11 1 . . 1 1 34 34 PHE H H . . . 1 1 47 47 ARG O O . . . . . 2.0 1.8 2.4 . . . . . A . 34 PHE H . . A . 47 ARG O . . . 34 . HN . . . . . 47 . O . . rr_1awx 4 12 1 . . 1 1 47 47 ARG O O . . . 1 1 34 34 PHE N N . . . . . 2.8 2.6 3.2 . . . . . A . 47 ARG O . . A . 34 PHE N . . . 47 . O . . . . . 34 . N . . rr_1awx 4 13 1 . . 1 1 47 47 ARG H H . . . 1 1 34 34 PHE O O . . . . . 2.0 1.8 2.4 . . . . . A . 47 ARG H . . A . 34 PHE O . . . 47 . HN . . . . . 34 . O . . rr_1awx 4 14 1 . . 1 1 34 34 PHE O O . . . 1 1 47 47 ARG N N . . . . . 2.8 2.6 3.2 . . . . . A . 34 PHE O . . A . 47 ARG N . . . 34 . O . . . . . 47 . N . . rr_1awx 4 15 1 . . 1 1 48 48 ASP H H . . . 1 1 52 52 GLN O O . . . . . 2.0 1.8 2.4 . . . . . A . 48 ASP H . . A . 52 GLN O . . . 48 . HN . . . . . 52 . O . . rr_1awx 4 16 1 . . 1 1 52 52 GLN O O . . . 1 1 48 48 ASP N N . . . . . 2.8 2.6 3.2 . . . . . A . 52 GLN O . . A . 48 ASP N . . . 52 . O . . . . . 48 . N . . rr_1awx 4 17 1 . . 1 1 54 54 GLY H H . . . 1 1 46 46 ALA O O . . . . . 2.0 1.8 2.4 . . . . . A . 54 GLY H . . A . 46 ALA O . . . 54 . HN . . . . . 46 . O . . rr_1awx 4 18 1 . . 1 1 46 46 ALA O O . . . 1 1 54 54 GLY N N . . . . . 2.8 2.6 3.2 . . . . . A . 46 ALA O . . A . 54 GLY N . . . 46 . O . . . . . 54 . N . . rr_1awx 4 19 1 . . 1 1 44 44 TRP H H . . . 1 1 56 56 ILE O O . . . . . 2.0 1.8 2.4 . . . . . A . 44 TRP H . . A . 56 ILE O . . . 44 . HN . . . . . 56 . O . . rr_1awx 4 20 1 . . 1 1 56 56 ILE O O . . . 1 1 44 44 TRP N N . . . . . 2.8 2.6 3.2 . . . . . A . 56 ILE O . . A . 44 TRP N . . . 56 . O . . . . . 44 . N . . rr_1awx 4 21 1 . . 1 1 58 58 SER H H . . . 1 1 42 42 PRO O O . . . . . 2.0 1.8 2.4 . . . . . A . 58 SER H . . A . 42 PRO O . . . 58 . HN . . . . . 42 . O . . rr_1awx 4 22 1 . . 1 1 42 42 PRO O O . . . 1 1 58 58 SER N N . . . . . 2.8 2.6 3.2 . . . . . A . 42 PRO O . . A . 58 SER N . . . 42 . O . . . . . 58 . N . . rr_1awx 4 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 ; ============================================================================== Hbonds in beta-sheet used as additional NMR restraints in the last refinement ; 2 1 4 80 rr_1awx 4 2 ; end set message=on echo=on end ; 39 1 41 28 rr_1awx 4 stop_ save_ save_CNS/XPLOR_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_6 _Torsion_angle_constraint_list.Entry_ID rr_1awx _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1awx 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 7 7 GLU N N . . 1 1 7 7 GLU CA C . . 1 1 7 7 GLU CB C . . 1 1 7 7 GLU CG C . -90.0 -30.0 . . . A . 7 GLU N . . A . 7 GLU CA . . A . 7 GLU CB . . A . 7 GLU CG . . . 7 . N . . . . . 7 . CA . . . . . 7 . CB . . . . . 7 . CG . . rr_1awx 1 2 . . 1 1 14 14 LEU N N . . 1 1 14 14 LEU CA C . . 1 1 14 14 LEU CB C . . 1 1 14 14 LEU CG C . -90.0 -30.0 . . . A . 14 LEU N . . A . 14 LEU CA . . A . 14 LEU CB . . A . 14 LEU CG . . . 14 . N . . . . . 14 . CA . . . . . 14 . CB . . . . . 14 . CG . . rr_1awx 1 3 . . 1 1 15 15 TYR N N . . 1 1 15 15 TYR CA C . . 1 1 15 15 TYR CB C . . 1 1 15 15 TYR CG C . -90.0 -30.0 . . . A . 15 TYR N . . A . 15 TYR CA . . A . 15 TYR CB . . A . 15 TYR CG . . . 15 . N . . . . . 15 . CA . . . . . 15 . CB . . . . . 15 . CG . . rr_1awx 1 4 . . 1 1 16 16 ASP N N . . 1 1 16 16 ASP CA C . . 1 1 16 16 ASP CB C . . 1 1 16 16 ASP CG C . -90.0 -30.0 . . . A . 16 ASP N . . A . 16 ASP CA . . A . 16 ASP CB . . A . 16 ASP CG . . . 16 . N . . . . . 16 . CA . . . . . 16 . CB . . . . . 16 . CG . . rr_1awx 1 5 . . 1 1 20 20 MET N N . . 1 1 20 20 MET CA C . . 1 1 20 20 MET CB C . . 1 1 20 20 MET CG C . -90.0 -30.0 . . . A . 20 MET N . . A . 20 MET CA . . A . 20 MET CB . . A . 20 MET CG . . . 20 . N . . . . . 20 . CA . . . . . 20 . CB . . . . . 20 . CG . . rr_1awx 1 6 . . 1 1 23 23 ASN N N . . 1 1 23 23 ASN CA C . . 1 1 23 23 ASN CB C . . 1 1 23 23 ASN CG C . -90.0 -30.0 . . . A . 23 ASN N . . A . 23 ASN CA . . A . 23 ASN CB . . A . 23 ASN CG . . . 23 . N . . . . . 23 . CA . . . . . 23 . CB . . . . . 23 . CG . . rr_1awx 1 7 . . 1 1 27 27 LEU N N . . 1 1 27 27 LEU CA C . . 1 1 27 27 LEU CB C . . 1 1 27 27 LEU CG C . -90.0 -30.0 . . . A . 27 LEU N . . A . 27 LEU CA . . A . 27 LEU CB . . A . 27 LEU CG . . . 27 . N . . . . . 27 . CA . . . . . 27 . CB . . . . . 27 . CG . . rr_1awx 1 8 . . 1 1 32 32 GLU N N . . 1 1 32 32 GLU CA C . . 1 1 32 32 GLU CB C . . 1 1 32 32 GLU CG C . -90.0 -30.0 . . . A . 32 GLU N . . A . 32 GLU CA . . A . 32 GLU CB . . A . 32 GLU CG . . . 32 . N . . . . . 32 . CA . . . . . 32 . CB . . . . . 32 . CG . . rr_1awx 1 9 . . 1 1 33 33 TYR N N . . 1 1 33 33 TYR CA C . . 1 1 33 33 TYR CB C . . 1 1 33 33 TYR CG C . -90.0 -30.0 . . . A . 33 TYR N . . A . 33 TYR CA . . A . 33 TYR CB . . A . 33 TYR CG . . . 33 . N . . . . . 33 . CA . . . . . 33 . CB . . . . . 33 . CG . . rr_1awx 1 10 . . 1 1 34 34 PHE N N . . 1 1 34 34 PHE CA C . . 1 1 34 34 PHE CB C . . 1 1 34 34 PHE CG C . -90.0 -30.0 . . . A . 34 PHE N . . A . 34 PHE CA . . A . 34 PHE CB . . A . 34 PHE CG . . . 34 . N . . . . . 34 . CA . . . . . 34 . CB . . . . . 34 . CG . . rr_1awx 1 11 . . 1 1 38 38 GLU N N . . 1 1 38 38 GLU CA C . . 1 1 38 38 GLU CB C . . 1 1 38 38 GLU CG C . 30.0 90.0 . . . A . 38 GLU N . . A . 38 GLU CA . . A . 38 GLU CB . . A . 38 GLU CG . . . 38 . N . . . . . 38 . CA . . . . . 38 . CB . . . . . 38 . CG . . rr_1awx 1 12 . . 1 1 43 43 TRP N N . . 1 1 43 43 TRP CA C . . 1 1 43 43 TRP CB C . . 1 1 43 43 TRP CG C . -90.0 -30.0 . . . A . 43 TRP N . . A . 43 TRP CA . . A . 43 TRP CB . . A . 43 TRP CG . . . 43 . N . . . . . 43 . CA . . . . . 43 . CB . . . . . 43 . CG . . rr_1awx 1 13 . . 1 1 44 44 TRP N N . . 1 1 44 44 TRP CA C . . 1 1 44 44 TRP CB C . . 1 1 44 44 TRP CG C . -90.0 -30.0 . . . A . 44 TRP N . . A . 44 TRP CA . . A . 44 TRP CB . . A . 44 TRP CG . . . 44 . N . . . . . 44 . CA . . . . . 44 . CB . . . . . 44 . CG . . rr_1awx 1 14 . . 1 1 47 47 ARG N N . . 1 1 47 47 ARG CA C . . 1 1 47 47 ARG CB C . . 1 1 47 47 ARG CG C . -90.0 -30.0 . . . A . 47 ARG N . . A . 47 ARG CA . . A . 47 ARG CB . . A . 47 ARG CG . . . 47 . N . . . . . 47 . CA . . . . . 47 . CB . . . . . 47 . CG . . rr_1awx 1 15 . . 1 1 48 48 ASP N N . . 1 1 48 48 ASP CA C . . 1 1 48 48 ASP CB C . . 1 1 48 48 ASP CG C . 30.0 90.0 . . . A . 48 ASP N . . A . 48 ASP CA . . A . 48 ASP CB . . A . 48 ASP CG . . . 48 . N . . . . . 48 . CA . . . . . 48 . CB . . . . . 48 . CG . . rr_1awx 1 16 . . 1 1 50 50 ASN N N . . 1 1 50 50 ASN CA C . . 1 1 50 50 ASN CB C . . 1 1 50 50 ASN CG C . -90.0 -30.0 . . . A . 50 ASN N . . A . 50 ASN CA . . A . 50 ASN CB . . A . 50 ASN CG . . . 50 . N . . . . . 50 . CA . . . . . 50 . CB . . . . . 50 . CG . . rr_1awx 1 17 . . 1 1 52 52 GLN N N . . 1 1 52 52 GLN CA C . . 1 1 52 52 GLN CB C . . 1 1 52 52 GLN CG C . -90.0 -30.0 . . . A . 52 GLN N . . A . 52 GLN CA . . A . 52 GLN CB . . A . 52 GLN CG . . . 52 . N . . . . . 52 . CA . . . . . 52 . CB . . . . . 52 . CG . . rr_1awx 1 18 . . 1 1 55 55 TYR N N . . 1 1 55 55 TYR CA C . . 1 1 55 55 TYR CB C . . 1 1 55 55 TYR CG C . -90.0 -30.0 . . . A . 55 TYR N . . A . 55 TYR CA . . A . 55 TYR CB . . A . 55 TYR CG . . . 55 . N . . . . . 55 . CA . . . . . 55 . CB . . . . . 55 . CG . . rr_1awx 1 19 . . 1 1 59 59 ASN N N . . 1 1 59 59 ASN CA C . . 1 1 59 59 ASN CB C . . 1 1 59 59 ASN CG C . 30.0 90.0 . . . A . 59 ASN N . . A . 59 ASN CA . . A . 59 ASN CB . . A . 59 ASN CG . . . 59 . N . . . . . 59 . CA . . . . . 59 . CB . . . . . 59 . CG . . rr_1awx 1 20 . . 1 1 60 60 TYR N N . . 1 1 60 60 TYR CA C . . 1 1 60 60 TYR CB C . . 1 1 60 60 TYR CG C . -105.0 -15.0 . . . A . 60 TYR N . . A . 60 TYR CA . . A . 60 TYR CB . . A . 60 TYR CG . . . 60 . N . . . . . 60 . CA . . . . . 60 . CB . . . . . 60 . CG . . rr_1awx 1 21 . . 1 1 65 65 GLU N N . . 1 1 65 65 GLU CA C . . 1 1 65 65 GLU CB C . . 1 1 65 65 GLU CG C . -105.0 -15.0 . . . A . 65 GLU N . . A . 65 GLU CA . . A . 65 GLU CB . . A . 65 GLU CG . . . 65 . N . . . . . 65 . CA . . . . . 65 . CB . . . . . 65 . CG . . rr_1awx 1 22 . . 1 1 12 12 VAL N N . . 1 1 12 12 VAL CA C . . 1 1 12 12 VAL CB C . . 1 1 12 12 VAL CG1 C . -225.0 -135.0 . . . A . 12 VAL N . . A . 12 VAL CA . . A . 12 VAL CB . . A . 12 VAL CG1 . . . 12 . N . . . . . 12 . CA . . . . . 12 . CB . . . . . 12 . CG1 . . rr_1awx 1 23 . . 1 1 9 9 LYS C C . . 1 1 10 10 LYS N N . . 1 1 10 10 LYS CA C . . 1 1 10 10 LYS C C . -180.0 -60.0 . . . A . 9 LYS C . . A . 10 LYS N . . A . 10 LYS CA . . A . 10 LYS C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . rr_1awx 1 24 . . 1 1 10 10 LYS C C . . 1 1 11 11 VAL N N . . 1 1 11 11 VAL CA C . . 1 1 11 11 VAL C C . -180.0 -60.0 . . . A . 10 LYS C . . A . 11 VAL N . . A . 11 VAL CA . . A . 11 VAL C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_1awx 1 25 . . 1 1 11 11 VAL C C . . 1 1 12 12 VAL N N . . 1 1 12 12 VAL CA C . . 1 1 12 12 VAL C C . -160.0 -80.0 . . . A . 11 VAL C . . A . 12 VAL N . . A . 12 VAL CA . . A . 12 VAL C . . . 11 . C . . . . . 12 . N . . . . . 12 . CA . . . . . 12 . C . . rr_1awx 1 26 . . 1 1 17 17 TYR C C . . 1 1 18 18 MET N N . . 1 1 18 18 MET CA C . . 1 1 18 18 MET C C . -180.0 -60.0 . . . A . 17 TYR C . . A . 18 MET N . . A . 18 MET CA . . A . 18 MET C . . . 17 . C . . . . . 18 . N . . . . . 18 . CA . . . . . 18 . C . . rr_1awx 1 27 . . 1 1 19 19 PRO C C . . 1 1 20 20 MET N N . . 1 1 20 20 MET CA C . . 1 1 20 20 MET C C . -180.0 -60.0 . . . A . 19 PRO C . . A . 20 MET N . . A . 20 MET CA . . A . 20 MET C . . . 19 . C . . . . . 20 . N . . . . . 20 . CA . . . . . 20 . C . . rr_1awx 1 28 . . 1 1 20 20 MET C C . . 1 1 21 21 ASN N N . . 1 1 21 21 ASN CA C . . 1 1 21 21 ASN C C . -180.0 -60.0 . . . A . 20 MET C . . A . 21 ASN N . . A . 21 ASN CA . . A . 21 ASN C . . . 20 . C . . . . . 21 . N . . . . . 21 . CA . . . . . 21 . C . . rr_1awx 1 29 . . 1 1 22 22 ALA C C . . 1 1 23 23 ASN N N . . 1 1 23 23 ASN CA C . . 1 1 23 23 ASN C C . -180.0 -60.0 . . . A . 22 ALA C . . A . 23 ASN N . . A . 23 ASN CA . . A . 23 ASN C . . . 22 . C . . . . . 23 . N . . . . . 23 . CA . . . . . 23 . C . . rr_1awx 1 30 . . 1 1 26 26 GLN C C . . 1 1 27 27 LEU N N . . 1 1 27 27 LEU CA C . . 1 1 27 27 LEU C C . -160.0 -80.0 . . . A . 26 GLN C . . A . 27 LEU N . . A . 27 LEU CA . . A . 27 LEU C . . . 26 . C . . . . . 27 . N . . . . . 27 . CA . . . . . 27 . C . . rr_1awx 1 31 . . 1 1 27 27 LEU C C . . 1 1 28 28 ARG N N . . 1 1 28 28 ARG CA C . . 1 1 28 28 ARG C C . -180.0 -60.0 . . . A . 27 LEU C . . A . 28 ARG N . . A . 28 ARG CA . . A . 28 ARG C . . . 27 . C . . . . . 28 . N . . . . . 28 . CA . . . . . 28 . C . . rr_1awx 1 32 . . 1 1 31 31 ASP C C . . 1 1 32 32 GLU N N . . 1 1 32 32 GLU CA C . . 1 1 32 32 GLU C C . -180.0 -60.0 . . . A . 31 ASP C . . A . 32 GLU N . . A . 32 GLU CA . . A . 32 GLU C . . . 31 . C . . . . . 32 . N . . . . . 32 . CA . . . . . 32 . C . . rr_1awx 1 33 . . 1 1 32 32 GLU C C . . 1 1 33 33 TYR N N . . 1 1 33 33 TYR CA C . . 1 1 33 33 TYR C C . -160.0 -80.0 . . . A . 32 GLU C . . A . 33 TYR N . . A . 33 TYR CA . . A . 33 TYR C . . . 32 . C . . . . . 33 . N . . . . . 33 . CA . . . . . 33 . C . . rr_1awx 1 34 . . 1 1 33 33 TYR C C . . 1 1 34 34 PHE N N . . 1 1 34 34 PHE CA C . . 1 1 34 34 PHE C C . -180.0 -60.0 . . . A . 33 TYR C . . A . 34 PHE N . . A . 34 PHE CA . . A . 34 PHE C . . . 33 . C . . . . . 34 . N . . . . . 34 . CA . . . . . 34 . C . . rr_1awx 1 35 . . 1 1 34 34 PHE C C . . 1 1 35 35 ILE N N . . 1 1 35 35 ILE CA C . . 1 1 35 35 ILE C C . -180.0 -60.0 . . . A . 34 PHE C . . A . 35 ILE N . . A . 35 ILE CA . . A . 35 ILE C . . . 34 . C . . . . . 35 . N . . . . . 35 . CA . . . . . 35 . C . . rr_1awx 1 36 . . 1 1 35 35 ILE C C . . 1 1 36 36 LEU N N . . 1 1 36 36 LEU CA C . . 1 1 36 36 LEU C C . -180.0 -60.0 . . . A . 35 ILE C . . A . 36 LEU N . . A . 36 LEU CA . . A . 36 LEU C . . . 35 . C . . . . . 36 . N . . . . . 36 . CA . . . . . 36 . C . . rr_1awx 1 37 . . 1 1 42 42 PRO C C . . 1 1 43 43 TRP N N . . 1 1 43 43 TRP CA C . . 1 1 43 43 TRP C C . -160.0 -80.0 . . . A . 42 PRO C . . A . 43 TRP N . . A . 43 TRP CA . . A . 43 TRP C . . . 42 . C . . . . . 43 . N . . . . . 43 . CA . . . . . 43 . C . . rr_1awx 1 38 . . 1 1 43 43 TRP C C . . 1 1 44 44 TRP N N . . 1 1 44 44 TRP CA C . . 1 1 44 44 TRP C C . -160.0 -80.0 . . . A . 43 TRP C . . A . 44 TRP N . . A . 44 TRP CA . . A . 44 TRP C . . . 43 . C . . . . . 44 . N . . . . . 44 . CA . . . . . 44 . C . . rr_1awx 1 39 . . 1 1 44 44 TRP C C . . 1 1 45 45 ARG N N . . 1 1 45 45 ARG CA C . . 1 1 45 45 ARG C C . -180.0 -60.0 . . . A . 44 TRP C . . A . 45 ARG N . . A . 45 ARG CA . . A . 45 ARG C . . . 44 . C . . . . . 45 . N . . . . . 45 . CA . . . . . 45 . C . . rr_1awx 1 40 . . 1 1 45 45 ARG C C . . 1 1 46 46 ALA N N . . 1 1 46 46 ALA CA C . . 1 1 46 46 ALA C C . -160.0 -80.0 . . . A . 45 ARG C . . A . 46 ALA N . . A . 46 ALA CA . . A . 46 ALA C . . . 45 . C . . . . . 46 . N . . . . . 46 . CA . . . . . 46 . C . . rr_1awx 1 41 . . 1 1 46 46 ALA C C . . 1 1 47 47 ARG N N . . 1 1 47 47 ARG CA C . . 1 1 47 47 ARG C C . -180.0 -60.0 . . . A . 46 ALA C . . A . 47 ARG N . . A . 47 ARG CA . . A . 47 ARG C . . . 46 . C . . . . . 47 . N . . . . . 47 . CA . . . . . 47 . C . . rr_1awx 1 42 . . 1 1 47 47 ARG C C . . 1 1 48 48 ASP N N . . 1 1 48 48 ASP CA C . . 1 1 48 48 ASP C C . -180.0 -60.0 . . . A . 47 ARG C . . A . 48 ASP N . . A . 48 ASP CA . . A . 48 ASP C . . . 47 . C . . . . . 48 . N . . . . . 48 . CA . . . . . 48 . C . . rr_1awx 1 43 . . 1 1 49 49 LYS C C . . 1 1 50 50 ASN N N . . 1 1 50 50 ASN CA C . . 1 1 50 50 ASN C C . -180.0 -60.0 . . . A . 49 LYS C . . A . 50 ASN N . . A . 50 ASN CA . . A . 50 ASN C . . . 49 . C . . . . . 50 . N . . . . . 50 . CA . . . . . 50 . C . . rr_1awx 1 44 . . 1 1 52 52 GLN C C . . 1 1 53 53 GLU N N . . 1 1 53 53 GLU CA C . . 1 1 53 53 GLU C C . -160.0 -80.0 . . . A . 52 GLN C . . A . 53 GLU N . . A . 53 GLU CA . . A . 53 GLU C . . . 52 . C . . . . . 53 . N . . . . . 53 . CA . . . . . 53 . C . . rr_1awx 1 45 . . 1 1 54 54 GLY C C . . 1 1 55 55 TYR N N . . 1 1 55 55 TYR CA C . . 1 1 55 55 TYR C C . -180.0 -60.0 . . . A . 54 GLY C . . A . 55 TYR N . . A . 55 TYR CA . . A . 55 TYR C . . . 54 . C . . . . . 55 . N . . . . . 55 . CA . . . . . 55 . C . . rr_1awx 1 46 . . 1 1 55 55 TYR C C . . 1 1 56 56 ILE N N . . 1 1 56 56 ILE CA C . . 1 1 56 56 ILE C C . -160.0 -80.0 . . . A . 55 TYR C . . A . 56 ILE N . . A . 56 ILE CA . . A . 56 ILE C . . . 55 . C . . . . . 56 . N . . . . . 56 . CA . . . . . 56 . C . . rr_1awx 1 47 . . 1 1 58 58 SER C C . . 1 1 59 59 ASN N N . . 1 1 59 59 ASN CA C . . 1 1 59 59 ASN C C . -180.0 -60.0 . . . A . 58 SER C . . A . 59 ASN N . . A . 59 ASN CA . . A . 59 ASN C . . . 58 . C . . . . . 59 . N . . . . . 59 . CA . . . . . 59 . C . . rr_1awx 1 48 . . 1 1 59 59 ASN C C . . 1 1 60 60 TYR N N . . 1 1 60 60 TYR CA C . . 1 1 60 60 TYR C C . -180.0 -60.0 . . . A . 59 ASN C . . A . 60 TYR N . . A . 60 TYR CA . . A . 60 TYR C . . . 59 . C . . . . . 60 . N . . . . . 60 . CA . . . . . 60 . C . . rr_1awx 1 49 . . 1 1 60 60 TYR C C . . 1 1 61 61 VAL N N . . 1 1 61 61 VAL CA C . . 1 1 61 61 VAL C C . -160.0 -80.0 . . . A . 60 TYR C . . A . 61 VAL N . . A . 61 VAL CA . . A . 61 VAL C . . . 60 . C . . . . . 61 . N . . . . . 61 . CA . . . . . 61 . C . . rr_1awx 1 50 . . 1 1 61 61 VAL C C . . 1 1 62 62 THR N N . . 1 1 62 62 THR CA C . . 1 1 62 62 THR C C . -180.0 -60.0 . . . A . 61 VAL C . . A . 62 THR N . . A . 62 THR CA . . A . 62 THR C . . . 61 . C . . . . . 62 . N . . . . . 62 . CA . . . . . 62 . C . . rr_1awx 1 51 . . 1 1 62 62 THR C C . . 1 1 63 63 GLU N N . . 1 1 63 63 GLU CA C . . 1 1 63 63 GLU C C . -100.0 -20.0 . . . A . 62 THR C . . A . 63 GLU N . . A . 63 GLU CA . . A . 63 GLU C . . . 62 . C . . . . . 63 . N . . . . . 63 . CA . . . . . 63 . C . . rr_1awx 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 'Chi_1 dihedral angles from hnhb-960627, noesy-960624 and tocsy-960701' 2 1 4 2 rr_1awx 1 2 'Not sure' 66 1 66 11 rr_1awx 1 3 'Not sure' 70 1 70 11 rr_1awx 1 4 'Residue 12 Valine in g+ conformation' 75 1 75 39 rr_1awx 1 5 ; Phi dihedral angles from hnha-960624 Phi = -120 +- 30 from 9.0 Hz >= Jhnha >= 8.0 Hz Phi = -120 +- 20 from Jhnha >= 9.0 Hz ; 80 1 84 2 rr_1awx 1 stop_ loop_ _TA_constraint_conv_err.ID _TA_constraint_conv_err.Parse_file_ID _TA_constraint_conv_err.Parse_file_constraint_ID _TA_constraint_conv_err.Conv_error_type _TA_constraint_conv_err.Conv_error_note _TA_constraint_conv_err.Entry_ID _TA_constraint_conv_err.Torsion_angle_constraint_list_ID 1 6 12 1 "Not handling restraint 12, resonance(s) ' .39.CG' (nmrStar names) not linked" rr_1awx 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1awx _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 TRANSFERASE 06-OCT-97 1AWX *TITLE SH3 DOMAIN FROM BRUTON'S TYROSINE KINASE, NMR, MINIMIZED *TITLE 2 AVERAGE STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: BRUTON'S TYROSINE KINASE; *COMPND 3 CHAIN: NULL; *COMPND 4 FRAGMENT: SH3 DOMAIN; *COMPND 5 SYNONYM: ATK, AGMX1, BPK; *COMPND 6 EC: 2.7.1.112; *COMPND 7 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 TISSUE: BLOOD; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM; *SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PGEX-4T-3 *KEYWDS TYROSINE KINASE, X-LINKED AGAMMAGLOBULINEMIA, XLA, BTK, SH3 *KEYWDS 2 DOMAIN, TRANSFERASE *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR H.HANSSON,P.T.MATTSSON,P.ALLARD,P.HAAPANIEMI,M.VIHINEN, *AUTHOR 2 C.I.E.SMITH,T.HARD *REVDAT 1 12-OCT-04 1AWX 0" save_ save_MR_file_comment_5 _Org_constr_file_comment.Sf_framecode MR_file_comment_5 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1awx _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 5 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment ; ! !=========================================================================== ! Dihedral angle restraints for BTK SH3 ! restraints dihedral ; save_