NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
568288 | 2mc7 | 19430 | cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2mc7 # This DOCR archive file contains, for PDB entry <2mc7>: # # - 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 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. save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_2mc7 _Entry.Title "wwPDB remediated NMR restraints for PDB entry 2mc7" _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 2mc7" _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 2mc7 "Master copy" rr_2mc7 stop_ save_ save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_2mc7 _Assembly.ID 1 _Assembly.Name 2mc7 _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state "all free" _Assembly.Molecular_mass 3458.3631 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 "Regulatory peptide" 1 $Regulatory_peptide A . no . . . . . . rr_2mc7 1 stop_ save_ save_Regulatory_peptide _Entity.Sf_category entity _Entity.Sf_framecode Regulatory_peptide _Entity.Entry_ID rr_2mc7 _Entity.ID 1 _Entity.Name Regulatory_peptide _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code ;MNRSPDKIIALIFLLISLLV LCLALWQIVF ; _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 30 _Entity.Paramagnetic no _Entity.Thiol_state "all free" _Entity.Parent_entity_ID 1 _Entity.Formula_weight 3458.3631 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 . MET . rr_2mc7 1 2 . ASN . rr_2mc7 1 3 . ARG . rr_2mc7 1 4 . SER . rr_2mc7 1 5 . PRO . rr_2mc7 1 6 . ASP . rr_2mc7 1 7 . LYS . rr_2mc7 1 8 . ILE . rr_2mc7 1 9 . ILE . rr_2mc7 1 10 . ALA . rr_2mc7 1 11 . LEU . rr_2mc7 1 12 . ILE . rr_2mc7 1 13 . PHE . rr_2mc7 1 14 . LEU . rr_2mc7 1 15 . LEU . rr_2mc7 1 16 . ILE . rr_2mc7 1 17 . SER . rr_2mc7 1 18 . LEU . rr_2mc7 1 19 . LEU . rr_2mc7 1 20 . VAL . rr_2mc7 1 21 . LEU . rr_2mc7 1 22 . CYS . rr_2mc7 1 23 . LEU . rr_2mc7 1 24 . ALA . rr_2mc7 1 25 . LEU . rr_2mc7 1 26 . TRP . rr_2mc7 1 27 . GLN . rr_2mc7 1 28 . ILE . rr_2mc7 1 29 . VAL . rr_2mc7 1 30 . PHE . rr_2mc7 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 . MET 1 1 rr_2mc7 1 . ASN 2 2 rr_2mc7 1 . ARG 3 3 rr_2mc7 1 . SER 4 4 rr_2mc7 1 . PRO 5 5 rr_2mc7 1 . ASP 6 6 rr_2mc7 1 . LYS 7 7 rr_2mc7 1 . ILE 8 8 rr_2mc7 1 . ILE 9 9 rr_2mc7 1 . ALA 10 10 rr_2mc7 1 . LEU 11 11 rr_2mc7 1 . ILE 12 12 rr_2mc7 1 . PHE 13 13 rr_2mc7 1 . LEU 14 14 rr_2mc7 1 . LEU 15 15 rr_2mc7 1 . ILE 16 16 rr_2mc7 1 . SER 17 17 rr_2mc7 1 . LEU 18 18 rr_2mc7 1 . LEU 19 19 rr_2mc7 1 . VAL 20 20 rr_2mc7 1 . LEU 21 21 rr_2mc7 1 . CYS 22 22 rr_2mc7 1 . LEU 23 23 rr_2mc7 1 . ALA 24 24 rr_2mc7 1 . LEU 25 25 rr_2mc7 1 . TRP 26 26 rr_2mc7 1 . GLN 27 27 rr_2mc7 1 . ILE 28 28 rr_2mc7 1 . VAL 29 29 rr_2mc7 1 . PHE 30 30 rr_2mc7 1 stop_ save_ save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_2mc7 _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_ 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_2mc7 _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_2mc7 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_2mc7 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 MET C C 2.592 -0.904 -14.861 . . . 1.0 . . . . . . . . . . . . A . 1 MET C . . . . . . . . . rr_2mc7 1 . 1 . 2 . 1 1 1 MET CA C 3.094 -0.478 -13.446 . . . 1.0 . . . . . . . . . . . . A . 1 MET CA . . . . . . . . . rr_2mc7 1 . 1 . 3 . 1 1 1 MET CB C 2.075 -0.890 -12.296 . . . 1.0 . . . . . . . . . . . . A . 1 MET CB . . . . . . . . . rr_2mc7 1 . 1 . 4 . 1 1 1 MET CE C 0.906 -4.623 -11.034 . . . 1.0 . . . . . . . . . . . . A . 1 MET CE . . . . . . . . . rr_2mc7 1 . 1 . 5 . 1 1 1 MET CG C 1.676 -2.415 -12.325 . . . 1.0 . . . . . . . . . . . . A . 1 MET CG . . . . . . . . . rr_2mc7 1 . 1 . 6 . 1 1 1 MET H1 H 3.903 1.221 -14.261 . . . 1.0 . . . . . . . . . . . . A . 1 MET H1 . . . . . . . . . rr_2mc7 1 . 1 . 7 . 1 1 1 MET H2 H 4.057 1.078 -12.603 . . . 1.0 . . . . . . . . . . . . A . 1 MET H2 . . . . . . . . . rr_2mc7 1 . 1 . 8 . 1 1 1 MET H3 H 2.570 1.592 -13.305 . . . 1.0 . . . . . . . . . . . . A . 1 MET H3 . . . . . . . . . rr_2mc7 1 . 1 . 9 . 1 1 1 MET HA H 4.078 -0.907 -13.324 . . . 1.0 . . . . . . . . . . . . A . 1 MET HA . . . . . . . . . rr_2mc7 1 . 1 . 10 . 1 1 1 MET HB2 H 2.623 -0.713 -11.346 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB2 . . . . . . . . . rr_2mc7 1 . 1 . 11 . 1 1 1 MET HB3 H 1.123 -0.322 -12.370 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB3 . . . . . . . . . rr_2mc7 1 . 1 . 12 . 1 1 1 MET HE1 H 1.824 -4.975 -11.552 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE1 . . . . . . . . . rr_2mc7 1 . 1 . 13 . 1 1 1 MET HE2 H 0.131 -4.916 -11.774 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE2 . . . . . . . . . rr_2mc7 1 . 1 . 14 . 1 1 1 MET HE3 H 0.670 -5.160 -10.090 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE3 . . . . . . . . . rr_2mc7 1 . 1 . 15 . 1 1 1 MET HG2 H 1.056 -2.709 -13.199 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG2 . . . . . . . . . rr_2mc7 1 . 1 . 16 . 1 1 1 MET HG3 H 2.635 -2.975 -12.357 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG3 . . . . . . . . . rr_2mc7 1 . 1 . 17 . 1 1 1 MET N N 3.392 0.961 -13.394 . . . 1.0 . . . . . . . . . . . . A . 1 MET N . . . . . . . . . rr_2mc7 1 . 1 . 18 . 1 1 1 MET O O 1.635 -0.300 -15.403 . . . 1.0 . . . . . . . . . . . . A . 1 MET O . . . . . . . . . rr_2mc7 1 . 1 . 19 . 1 1 1 MET SD S 0.885 -2.891 -10.758 . . . 1.0 . . . . . . . . . . . . A . 1 MET SD . . . . . . . . . rr_2mc7 1 . 1 . 20 . 1 1 2 ASN C C 1.843 -3.762 -16.701 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_2mc7 1 . 1 . 21 . 1 1 2 ASN CA C 2.636 -2.434 -16.729 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_2mc7 1 . 1 . 22 . 1 1 2 ASN CB C 3.866 -2.647 -17.628 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_2mc7 1 . 1 . 23 . 1 1 2 ASN CG C 3.523 -2.531 -19.128 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_2mc7 1 . 1 . 24 . 1 1 2 ASN H H 3.799 -2.547 -14.959 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_2mc7 1 . 1 . 25 . 1 1 2 ASN HA H 1.964 -1.693 -17.138 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_2mc7 1 . 1 . 26 . 1 1 2 ASN HB2 H 4.578 -1.807 -17.482 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_2mc7 1 . 1 . 27 . 1 1 2 ASN HB3 H 4.485 -3.526 -17.348 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_2mc7 1 . 1 . 28 . 1 1 2 ASN HD21 H 4.611 -4.187 -19.330 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_2mc7 1 . 1 . 29 . 1 1 2 ASN HD22 H 4.097 -3.494 -20.838 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_2mc7 1 . 1 . 30 . 1 1 2 ASN N N 3.101 -1.993 -15.404 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_2mc7 1 . 1 . 31 . 1 1 2 ASN ND2 N 4.092 -3.500 -19.838 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_2mc7 1 . 1 . 32 . 1 1 2 ASN O O 1.057 -4.042 -17.588 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_2mc7 1 . 1 . 33 . 1 1 2 ASN OD1 O 2.795 -1.673 -19.555 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_2mc7 1 . 1 . 34 . 1 1 3 ARG C C -0.275 -5.587 -15.374 . . . 1.0 . . . . . . . . . . . . A . 3 ARG C . . . . . . . . . rr_2mc7 1 . 1 . 35 . 1 1 3 ARG CA C 1.237 -5.890 -15.506 . . . 1.0 . . . . . . . . . . . . A . 3 ARG CA . . . . . . . . . rr_2mc7 1 . 1 . 36 . 1 1 3 ARG CB C 1.724 -6.515 -14.184 . . . 1.0 . . . . . . . . . . . . A . 3 ARG CB . . . . . . . . . rr_2mc7 1 . 1 . 37 . 1 1 3 ARG CD C 1.085 -9.022 -14.659 . . . 1.0 . . . . . . . . . . . . A . 3 ARG CD . . . . . . . . . rr_2mc7 1 . 1 . 38 . 1 1 3 ARG CG C 0.941 -7.755 -13.738 . . . 1.0 . . . . . . . . . . . . A . 3 ARG CG . . . . . . . . . rr_2mc7 1 . 1 . 39 . 1 1 3 ARG CZ C -0.482 -10.974 -15.073 . . . 1.0 . . . . . . . . . . . . A . 3 ARG CZ . . . . . . . . . rr_2mc7 1 . 1 . 40 . 1 1 3 ARG H H 2.774 -4.394 -15.065 . . . 1.0 . . . . . . . . . . . . A . 3 ARG H . . . . . . . . . rr_2mc7 1 . 1 . 41 . 1 1 3 ARG HA H 1.255 -6.596 -16.323 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HA . . . . . . . . . rr_2mc7 1 . 1 . 42 . 1 1 3 ARG HB2 H 2.770 -6.873 -14.294 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HB2 . . . . . . . . . rr_2mc7 1 . 1 . 43 . 1 1 3 ARG HB3 H 1.667 -5.792 -13.343 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HB3 . . . . . . . . . rr_2mc7 1 . 1 . 44 . 1 1 3 ARG HD2 H 1.090 -8.584 -15.680 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HD2 . . . . . . . . . rr_2mc7 1 . 1 . 45 . 1 1 3 ARG HD3 H 1.952 -9.490 -14.145 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HD3 . . . . . . . . . rr_2mc7 1 . 1 . 46 . 1 1 3 ARG HE H -0.599 -9.845 -13.471 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HE . . . . . . . . . rr_2mc7 1 . 1 . 47 . 1 1 3 ARG HG2 H 1.355 -7.948 -12.725 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HG2 . . . . . . . . . rr_2mc7 1 . 1 . 48 . 1 1 3 ARG HG3 H -0.131 -7.604 -13.489 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HG3 . . . . . . . . . rr_2mc7 1 . 1 . 49 . 1 1 3 ARG HH11 H 0.752 -10.665 -16.682 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HH11 . . . . . . . . . rr_2mc7 1 . 1 . 50 . 1 1 3 ARG HH12 H -0.471 -11.887 -16.816 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HH12 . . . . . . . . . rr_2mc7 1 . 1 . 51 . 1 1 3 ARG HH21 H -2.153 -11.515 -13.972 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HH21 . . . . . . . . . rr_2mc7 1 . 1 . 52 . 1 1 3 ARG HH22 H -1.820 -12.479 -15.336 . . . 1.0 . . . . . . . . . . . . A . 3 ARG HH22 . . . . . . . . . rr_2mc7 1 . 1 . 53 . 1 1 3 ARG N N 2.039 -4.660 -15.683 . . . 1.0 . . . . . . . . . . . . A . 3 ARG N . . . . . . . . . rr_2mc7 1 . 1 . 54 . 1 1 3 ARG NE N -0.097 -9.977 -14.326 . . . 1.0 . . . . . . . . . . . . A . 3 ARG NE . . . . . . . . . rr_2mc7 1 . 1 . 55 . 1 1 3 ARG NH1 N 0.013 -11.200 -16.274 . . . 1.0 . . . . . . . . . . . . A . 3 ARG NH1 . . . . . . . . . rr_2mc7 1 . 1 . 56 . 1 1 3 ARG NH2 N -1.525 -11.756 -14.712 . . . 1.0 . . . . . . . . . . . . A . 3 ARG NH2 . . . . . . . . . rr_2mc7 1 . 1 . 57 . 1 1 3 ARG O O -0.809 -5.211 -14.311 . . . 1.0 . . . . . . . . . . . . A . 3 ARG O . . . . . . . . . rr_2mc7 1 . 1 . 58 . 1 1 4 SER C C -3.540 -5.538 -15.582 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . rr_2mc7 1 . 1 . 59 . 1 1 4 SER CA C -2.437 -5.258 -16.594 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . rr_2mc7 1 . 1 . 60 . 1 1 4 SER CB C -3.028 -5.550 -18.055 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . rr_2mc7 1 . 1 . 61 . 1 1 4 SER H H -0.715 -6.209 -17.285 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . rr_2mc7 1 . 1 . 62 . 1 1 4 SER HA H -2.410 -4.187 -16.454 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . rr_2mc7 1 . 1 . 63 . 1 1 4 SER HB2 H -2.110 -5.650 -18.673 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . rr_2mc7 1 . 1 . 64 . 1 1 4 SER HB3 H -3.554 -6.524 -17.968 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . rr_2mc7 1 . 1 . 65 . 1 1 4 SER HG H -4.687 -4.982 -18.813 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . rr_2mc7 1 . 1 . 66 . 1 1 4 SER N N -1.079 -5.756 -16.475 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . rr_2mc7 1 . 1 . 67 . 1 1 4 SER O O -4.097 -4.551 -15.199 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . rr_2mc7 1 . 1 . 68 . 1 1 4 SER OG O -3.900 -4.555 -18.466 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . rr_2mc7 1 . 1 . 69 . 1 1 5 PRO C C -4.869 -6.737 -12.888 . . . 1.0 . . . . . . . . . . . . A . 5 PRO C . . . . . . . . . rr_2mc7 1 . 1 . 70 . 1 1 5 PRO CA C -4.992 -7.066 -14.371 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CA . . . . . . . . . rr_2mc7 1 . 1 . 71 . 1 1 5 PRO CB C -5.267 -8.545 -14.603 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CB . . . . . . . . . rr_2mc7 1 . 1 . 72 . 1 1 5 PRO CD C -2.983 -8.003 -15.547 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CD . . . . . . . . . rr_2mc7 1 . 1 . 73 . 1 1 5 PRO CG C -3.798 -9.051 -14.811 . . . 1.0 . . . . . . . . . . . . A . 5 PRO CG . . . . . . . . . rr_2mc7 1 . 1 . 74 . 1 1 5 PRO HA H -5.893 -6.549 -14.666 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HA . . . . . . . . . rr_2mc7 1 . 1 . 75 . 1 1 5 PRO HB2 H -5.768 -9.078 -13.767 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB2 . . . . . . . . . rr_2mc7 1 . 1 . 76 . 1 1 5 PRO HB3 H -5.915 -8.837 -15.457 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HB3 . . . . . . . . . rr_2mc7 1 . 1 . 77 . 1 1 5 PRO HD2 H -2.003 -7.845 -15.048 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD2 . . . . . . . . . rr_2mc7 1 . 1 . 78 . 1 1 5 PRO HD3 H -2.830 -8.344 -16.593 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HD3 . . . . . . . . . rr_2mc7 1 . 1 . 79 . 1 1 5 PRO HG2 H -3.464 -9.330 -13.789 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG2 . . . . . . . . . rr_2mc7 1 . 1 . 80 . 1 1 5 PRO HG3 H -3.640 -10.001 -15.364 . . . 1.0 . . . . . . . . . . . . A . 5 PRO HG3 . . . . . . . . . rr_2mc7 1 . 1 . 81 . 1 1 5 PRO N N -3.831 -6.787 -15.231 . . . 1.0 . . . . . . . . . . . . A . 5 PRO N . . . . . . . . . rr_2mc7 1 . 1 . 82 . 1 1 5 PRO O O -5.867 -6.752 -12.167 . . . 1.0 . . . . . . . . . . . . A . 5 PRO O . . . . . . . . . rr_2mc7 1 . 1 . 83 . 1 1 6 ASP C C -3.216 -4.911 -10.409 . . . 1.0 . . . . . . . . . . . . A . 6 ASP C . . . . . . . . . rr_2mc7 1 . 1 . 84 . 1 1 6 ASP CA C -3.305 -6.324 -11.012 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CA . . . . . . . . . rr_2mc7 1 . 1 . 85 . 1 1 6 ASP CB C -1.956 -7.111 -10.838 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CB . . . . . . . . . rr_2mc7 1 . 1 . 86 . 1 1 6 ASP CG C -2.230 -8.553 -11.304 . . . 1.0 . . . . . . . . . . . . A . 6 ASP CG . . . . . . . . . rr_2mc7 1 . 1 . 87 . 1 1 6 ASP H H -2.995 -6.212 -13.092 . . . 1.0 . . . . . . . . . . . . A . 6 ASP H . . . . . . . . . rr_2mc7 1 . 1 . 88 . 1 1 6 ASP HA H -4.101 -6.853 -10.509 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HA . . . . . . . . . rr_2mc7 1 . 1 . 89 . 1 1 6 ASP HB2 H -1.158 -6.812 -11.550 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB2 . . . . . . . . . rr_2mc7 1 . 1 . 90 . 1 1 6 ASP HB3 H -1.566 -7.026 -9.801 . . . 1.0 . . . . . . . . . . . . A . 6 ASP HB3 . . . . . . . . . rr_2mc7 1 . 1 . 91 . 1 1 6 ASP N N -3.694 -6.415 -12.410 . . . 1.0 . . . . . . . . . . . . A . 6 ASP N . . . . . . . . . rr_2mc7 1 . 1 . 92 . 1 1 6 ASP O O -3.015 -4.730 -9.194 . . . 1.0 . . . . . . . . . . . . A . 6 ASP O . . . . . . . . . rr_2mc7 1 . 1 . 93 . 1 1 6 ASP OD1 O -2.995 -9.281 -10.651 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD1 . . . . . . . . . rr_2mc7 1 . 1 . 94 . 1 1 6 ASP OD2 O -1.580 -9.034 -12.247 . . . 1.0 . . . . . . . . . . . . A . 6 ASP OD2 . . . . . . . . . rr_2mc7 1 . 1 . 95 . 1 1 7 LYS C C -3.991 -1.912 -9.768 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_2mc7 1 . 1 . 96 . 1 1 7 LYS CA C -3.269 -2.552 -10.936 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_2mc7 1 . 1 . 97 . 1 1 7 LYS CB C -3.515 -1.759 -12.312 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_2mc7 1 . 1 . 98 . 1 1 7 LYS CD C -2.347 -0.838 -14.457 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_2mc7 1 . 1 . 99 . 1 1 7 LYS CE C -1.403 -1.164 -15.622 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_2mc7 1 . 1 . 100 . 1 1 7 LYS CG C -2.390 -1.945 -13.316 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_2mc7 1 . 1 . 101 . 1 1 7 LYS H H -3.919 -4.103 -12.186 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_2mc7 1 . 1 . 102 . 1 1 7 LYS HA H -2.206 -2.508 -10.749 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_2mc7 1 . 1 . 103 . 1 1 7 LYS HB2 H -4.505 -1.897 -12.795 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_2mc7 1 . 1 . 104 . 1 1 7 LYS HB3 H -3.544 -0.677 -12.061 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_2mc7 1 . 1 . 105 . 1 1 7 LYS HD2 H -3.367 -0.814 -14.896 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_2mc7 1 . 1 . 106 . 1 1 7 LYS HD3 H -2.022 0.154 -14.077 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_2mc7 1 . 1 . 107 . 1 1 7 LYS HE2 H -0.462 -1.167 -15.032 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_2mc7 1 . 1 . 108 . 1 1 7 LYS HE3 H -1.640 -2.089 -16.190 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_2mc7 1 . 1 . 109 . 1 1 7 LYS HG2 H -1.381 -1.927 -12.852 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_2mc7 1 . 1 . 110 . 1 1 7 LYS HG3 H -2.491 -2.905 -13.866 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_2mc7 1 . 1 . 111 . 1 1 7 LYS HZ1 H -1.058 0.890 -16.030 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_2mc7 1 . 1 . 112 . 1 1 7 LYS HZ2 H -2.257 0.173 -16.935 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_2mc7 1 . 1 . 113 . 1 1 7 LYS HZ3 H -0.625 -0.184 -17.266 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_2mc7 1 . 1 . 114 . 1 1 7 LYS N N -3.537 -3.908 -11.286 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_2mc7 1 . 1 . 115 . 1 1 7 LYS NZ N -1.319 0.009 -16.516 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_2mc7 1 . 1 . 116 . 1 1 7 LYS O O -3.520 -1.022 -9.016 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_2mc7 1 . 1 . 117 . 1 1 8 ILE C C -5.777 -2.441 -7.307 . . . 1.0 . . . . . . . . . . . . A . 8 ILE C . . . . . . . . . rr_2mc7 1 . 1 . 118 . 1 1 8 ILE CA C -6.088 -1.719 -8.640 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CA . . . . . . . . . rr_2mc7 1 . 1 . 119 . 1 1 8 ILE CB C -7.556 -1.802 -8.870 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CB . . . . . . . . . rr_2mc7 1 . 1 . 120 . 1 1 8 ILE CD1 C -9.381 -1.341 -10.566 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CD1 . . . . . . . . . rr_2mc7 1 . 1 . 121 . 1 1 8 ILE CG1 C -7.960 -1.052 -10.125 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG1 . . . . . . . . . rr_2mc7 1 . 1 . 122 . 1 1 8 ILE CG2 C -8.260 -1.211 -7.686 . . . 1.0 . . . . . . . . . . . . A . 8 ILE CG2 . . . . . . . . . rr_2mc7 1 . 1 . 123 . 1 1 8 ILE H H -5.750 -2.921 -10.237 . . . 1.0 . . . . . . . . . . . . A . 8 ILE H . . . . . . . . . rr_2mc7 1 . 1 . 124 . 1 1 8 ILE HA H -5.779 -0.704 -8.436 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HA . . . . . . . . . rr_2mc7 1 . 1 . 125 . 1 1 8 ILE HB H -7.882 -2.861 -8.956 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HB . . . . . . . . . rr_2mc7 1 . 1 . 126 . 1 1 8 ILE HD11 H -9.920 -2.195 -10.101 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD11 . . . . . . . . . rr_2mc7 1 . 1 . 127 . 1 1 8 ILE HD12 H -9.931 -0.462 -10.167 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD12 . . . . . . . . . rr_2mc7 1 . 1 . 128 . 1 1 8 ILE HD13 H -9.516 -1.457 -11.662 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HD13 . . . . . . . . . rr_2mc7 1 . 1 . 129 . 1 1 8 ILE HG12 H -7.834 0.043 -9.983 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG12 . . . . . . . . . rr_2mc7 1 . 1 . 130 . 1 1 8 ILE HG13 H -7.262 -1.290 -10.956 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG13 . . . . . . . . . rr_2mc7 1 . 1 . 131 . 1 1 8 ILE HG21 H -9.353 -1.123 -7.864 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG21 . . . . . . . . . rr_2mc7 1 . 1 . 132 . 1 1 8 ILE HG22 H -7.856 -0.176 -7.684 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG22 . . . . . . . . . rr_2mc7 1 . 1 . 133 . 1 1 8 ILE HG23 H -8.110 -1.767 -6.736 . . . 1.0 . . . . . . . . . . . . A . 8 ILE HG23 . . . . . . . . . rr_2mc7 1 . 1 . 134 . 1 1 8 ILE N N -5.268 -2.285 -9.639 . . . 1.0 . . . . . . . . . . . . A . 8 ILE N . . . . . . . . . rr_2mc7 1 . 1 . 135 . 1 1 8 ILE O O -5.609 -1.795 -6.242 . . . 1.0 . . . . . . . . . . . . A . 8 ILE O . . . . . . . . . rr_2mc7 1 . 1 . 136 . 1 1 9 ILE C C -3.921 -4.212 -5.492 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . rr_2mc7 1 . 1 . 137 . 1 1 9 ILE CA C -5.256 -4.591 -6.140 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . rr_2mc7 1 . 1 . 138 . 1 1 9 ILE CB C -5.505 -6.104 -6.323 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . rr_2mc7 1 . 1 . 139 . 1 1 9 ILE CD1 C -4.722 -8.141 -7.729 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . rr_2mc7 1 . 1 . 140 . 1 1 9 ILE CG1 C -4.843 -6.633 -7.622 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . rr_2mc7 1 . 1 . 141 . 1 1 9 ILE CG2 C -7.025 -6.365 -6.336 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . rr_2mc7 1 . 1 . 142 . 1 1 9 ILE H H -5.392 -4.165 -8.233 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . rr_2mc7 1 . 1 . 143 . 1 1 9 ILE HA H -5.914 -4.389 -5.308 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . rr_2mc7 1 . 1 . 144 . 1 1 9 ILE HB H -5.049 -6.557 -5.417 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . rr_2mc7 1 . 1 . 145 . 1 1 9 ILE HD11 H -4.251 -8.604 -6.835 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . rr_2mc7 1 . 1 . 146 . 1 1 9 ILE HD12 H -5.711 -8.641 -7.803 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . rr_2mc7 1 . 1 . 147 . 1 1 9 ILE HD13 H -4.112 -8.413 -8.617 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . rr_2mc7 1 . 1 . 148 . 1 1 9 ILE HG12 H -5.373 -6.134 -8.461 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . rr_2mc7 1 . 1 . 149 . 1 1 9 ILE HG13 H -3.793 -6.270 -7.656 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . rr_2mc7 1 . 1 . 150 . 1 1 9 ILE HG21 H -7.137 -7.433 -6.048 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . rr_2mc7 1 . 1 . 151 . 1 1 9 ILE HG22 H -7.517 -6.163 -7.312 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . rr_2mc7 1 . 1 . 152 . 1 1 9 ILE HG23 H -7.547 -5.910 -5.467 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . rr_2mc7 1 . 1 . 153 . 1 1 9 ILE N N -5.555 -3.771 -7.332 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . rr_2mc7 1 . 1 . 154 . 1 1 9 ILE O O -3.792 -3.992 -4.300 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . rr_2mc7 1 . 1 . 155 . 1 1 10 ALA C C -1.573 -2.040 -5.331 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_2mc7 1 . 1 . 156 . 1 1 10 ALA CA C -1.597 -3.461 -5.928 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_2mc7 1 . 1 . 157 . 1 1 10 ALA CB C -0.728 -3.541 -7.237 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_2mc7 1 . 1 . 158 . 1 1 10 ALA H H -2.935 -4.256 -7.233 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_2mc7 1 . 1 . 159 . 1 1 10 ALA HA H -1.238 -4.159 -5.185 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_2mc7 1 . 1 . 160 . 1 1 10 ALA HB1 H -1.239 -2.923 -8.006 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_2mc7 1 . 1 . 161 . 1 1 10 ALA HB2 H -0.694 -4.584 -7.616 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_2mc7 1 . 1 . 162 . 1 1 10 ALA HB3 H 0.291 -3.146 -7.033 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_2mc7 1 . 1 . 163 . 1 1 10 ALA N N -2.862 -4.025 -6.266 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_2mc7 1 . 1 . 164 . 1 1 10 ALA O O -0.891 -1.685 -4.371 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_2mc7 1 . 1 . 165 . 1 1 11 LEU C C -3.235 0.217 -4.004 . . . 1.0 . . . . . . . . . . . . A . 11 LEU C . . . . . . . . . rr_2mc7 1 . 1 . 166 . 1 1 11 LEU CA C -2.593 0.186 -5.418 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CA . . . . . . . . . rr_2mc7 1 . 1 . 167 . 1 1 11 LEU CB C -3.411 0.935 -6.436 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CB . . . . . . . . . rr_2mc7 1 . 1 . 168 . 1 1 11 LEU CD1 C -2.334 3.317 -5.926 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CD1 . . . . . . . . . rr_2mc7 1 . 1 . 169 . 1 1 11 LEU CD2 C -4.255 3.170 -7.537 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CD2 . . . . . . . . . rr_2mc7 1 . 1 . 170 . 1 1 11 LEU CG C -3.594 2.495 -6.290 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CG . . . . . . . . . rr_2mc7 1 . 1 . 171 . 1 1 11 LEU H H -2.803 -1.354 -6.785 . . . 1.0 . . . . . . . . . . . . A . 11 LEU H . . . . . . . . . rr_2mc7 1 . 1 . 172 . 1 1 11 LEU HA H -1.618 0.646 -5.359 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HA . . . . . . . . . rr_2mc7 1 . 1 . 173 . 1 1 11 LEU HB2 H -2.926 0.803 -7.426 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HB2 . . . . . . . . . rr_2mc7 1 . 1 . 174 . 1 1 11 LEU HB3 H -4.421 0.473 -6.407 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HB3 . . . . . . . . . rr_2mc7 1 . 1 . 175 . 1 1 11 LEU HD11 H -1.607 3.333 -6.766 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD11 . . . . . . . . . rr_2mc7 1 . 1 . 176 . 1 1 11 LEU HD12 H -1.806 2.976 -5.010 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD12 . . . . . . . . . rr_2mc7 1 . 1 . 177 . 1 1 11 LEU HD13 H -2.688 4.352 -5.732 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD13 . . . . . . . . . rr_2mc7 1 . 1 . 178 . 1 1 11 LEU HD21 H -3.691 2.959 -8.471 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD21 . . . . . . . . . rr_2mc7 1 . 1 . 179 . 1 1 11 LEU HD22 H -4.236 4.267 -7.360 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD22 . . . . . . . . . rr_2mc7 1 . 1 . 180 . 1 1 11 LEU HD23 H -5.332 2.933 -7.668 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD23 . . . . . . . . . rr_2mc7 1 . 1 . 181 . 1 1 11 LEU HG H -4.286 2.710 -5.448 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HG . . . . . . . . . rr_2mc7 1 . 1 . 182 . 1 1 11 LEU N N -2.373 -1.145 -5.910 . . . 1.0 . . . . . . . . . . . . A . 11 LEU N . . . . . . . . . rr_2mc7 1 . 1 . 183 . 1 1 11 LEU O O -2.848 0.953 -3.111 . . . 1.0 . . . . . . . . . . . . A . 11 LEU O . . . . . . . . . rr_2mc7 1 . 1 . 184 . 1 1 12 ILE C C -3.523 -1.560 -1.585 . . . 1.0 . . . . . . . . . . . . A . 12 ILE C . . . . . . . . . rr_2mc7 1 . 1 . 185 . 1 1 12 ILE CA C -4.652 -1.057 -2.569 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CA . . . . . . . . . rr_2mc7 1 . 1 . 186 . 1 1 12 ILE CB C -5.772 -2.162 -2.650 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CB . . . . . . . . . rr_2mc7 1 . 1 . 187 . 1 1 12 ILE CD1 C -8.104 -2.529 -3.586 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CD1 . . . . . . . . . rr_2mc7 1 . 1 . 188 . 1 1 12 ILE CG1 C -7.123 -1.525 -3.118 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CG1 . . . . . . . . . rr_2mc7 1 . 1 . 189 . 1 1 12 ILE CG2 C -5.927 -2.864 -1.259 . . . 1.0 . . . . . . . . . . . . A . 12 ILE CG2 . . . . . . . . . rr_2mc7 1 . 1 . 190 . 1 1 12 ILE H H -4.398 -1.299 -4.661 . . . 1.0 . . . . . . . . . . . . A . 12 ILE H . . . . . . . . . rr_2mc7 1 . 1 . 191 . 1 1 12 ILE HA H -5.048 -0.198 -2.048 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HA . . . . . . . . . rr_2mc7 1 . 1 . 192 . 1 1 12 ILE HB H -5.566 -2.983 -3.369 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HB . . . . . . . . . rr_2mc7 1 . 1 . 193 . 1 1 12 ILE HD11 H -7.876 -2.980 -4.575 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD11 . . . . . . . . . rr_2mc7 1 . 1 . 194 . 1 1 12 ILE HD12 H -8.109 -3.431 -2.938 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD12 . . . . . . . . . rr_2mc7 1 . 1 . 195 . 1 1 12 ILE HD13 H -9.114 -2.078 -3.697 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HD13 . . . . . . . . . rr_2mc7 1 . 1 . 196 . 1 1 12 ILE HG12 H -7.478 -0.881 -2.285 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG12 . . . . . . . . . rr_2mc7 1 . 1 . 197 . 1 1 12 ILE HG13 H -6.889 -0.848 -3.968 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG13 . . . . . . . . . rr_2mc7 1 . 1 . 198 . 1 1 12 ILE HG21 H -6.942 -3.315 -1.229 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG21 . . . . . . . . . rr_2mc7 1 . 1 . 199 . 1 1 12 ILE HG22 H -5.958 -1.975 -0.593 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG22 . . . . . . . . . rr_2mc7 1 . 1 . 200 . 1 1 12 ILE HG23 H -5.170 -3.629 -0.981 . . . 1.0 . . . . . . . . . . . . A . 12 ILE HG23 . . . . . . . . . rr_2mc7 1 . 1 . 201 . 1 1 12 ILE N N -4.190 -0.698 -3.894 . . . 1.0 . . . . . . . . . . . . A . 12 ILE N . . . . . . . . . rr_2mc7 1 . 1 . 202 . 1 1 12 ILE O O -3.510 -1.101 -0.488 . . . 1.0 . . . . . . . . . . . . A . 12 ILE O . . . . . . . . . rr_2mc7 1 . 1 . 203 . 1 1 13 PHE C C -0.558 -1.931 -0.720 . . . 1.0 . . . . . . . . . . . . A . 13 PHE C . . . . . . . . . rr_2mc7 1 . 1 . 204 . 1 1 13 PHE CA C -1.579 -3.050 -1.221 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CA . . . . . . . . . rr_2mc7 1 . 1 . 205 . 1 1 13 PHE CB C -0.975 -4.267 -1.985 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CB . . . . . . . . . rr_2mc7 1 . 1 . 206 . 1 1 13 PHE CD1 C -0.257 -5.441 0.223 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD1 . . . . . . . . . rr_2mc7 1 . 1 . 207 . 1 1 13 PHE CD2 C 1.279 -5.339 -1.622 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD2 . . . . . . . . . rr_2mc7 1 . 1 . 208 . 1 1 13 PHE CE1 C 0.785 -5.752 1.116 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE1 . . . . . . . . . rr_2mc7 1 . 1 . 209 . 1 1 13 PHE CE2 C 2.361 -5.736 -0.735 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE2 . . . . . . . . . rr_2mc7 1 . 1 . 210 . 1 1 13 PHE CG C 0.004 -5.075 -1.161 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CG . . . . . . . . . rr_2mc7 1 . 1 . 211 . 1 1 13 PHE CZ C 2.078 -5.873 0.631 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CZ . . . . . . . . . rr_2mc7 1 . 1 . 212 . 1 1 13 PHE H H -2.678 -2.994 -2.909 . . . 1.0 . . . . . . . . . . . . A . 13 PHE H . . . . . . . . . rr_2mc7 1 . 1 . 213 . 1 1 13 PHE HA H -2.014 -3.449 -0.316 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HA . . . . . . . . . rr_2mc7 1 . 1 . 214 . 1 1 13 PHE HB2 H -1.837 -4.881 -2.325 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB2 . . . . . . . . . rr_2mc7 1 . 1 . 215 . 1 1 13 PHE HB3 H -0.428 -3.994 -2.913 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB3 . . . . . . . . . rr_2mc7 1 . 1 . 216 . 1 1 13 PHE HD1 H -1.202 -5.208 0.691 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD1 . . . . . . . . . rr_2mc7 1 . 1 . 217 . 1 1 13 PHE HD2 H 1.523 -5.167 -2.660 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD2 . . . . . . . . . rr_2mc7 1 . 1 . 218 . 1 1 13 PHE HE1 H 0.580 -6.089 2.121 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE1 . . . . . . . . . rr_2mc7 1 . 1 . 219 . 1 1 13 PHE HE2 H 3.375 -5.813 -1.100 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE2 . . . . . . . . . rr_2mc7 1 . 1 . 220 . 1 1 13 PHE HZ H 2.917 -6.246 1.200 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HZ . . . . . . . . . rr_2mc7 1 . 1 . 221 . 1 1 13 PHE N N -2.621 -2.490 -2.051 . . . 1.0 . . . . . . . . . . . . A . 13 PHE N . . . . . . . . . rr_2mc7 1 . 1 . 222 . 1 1 13 PHE O O -0.124 -1.843 0.441 . . . 1.0 . . . . . . . . . . . . A . 13 PHE O . . . . . . . . . rr_2mc7 1 . 1 . 223 . 1 1 14 LEU C C -0.009 1.063 -0.436 . . . 1.0 . . . . . . . . . . . . A . 14 LEU C . . . . . . . . . rr_2mc7 1 . 1 . 224 . 1 1 14 LEU CA C 0.588 0.147 -1.383 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CA . . . . . . . . . rr_2mc7 1 . 1 . 225 . 1 1 14 LEU CB C 0.774 0.899 -2.718 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CB . . . . . . . . . rr_2mc7 1 . 1 . 226 . 1 1 14 LEU CD1 C 2.926 1.865 -2.036 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CD1 . . . . . . . . . rr_2mc7 1 . 1 . 227 . 1 1 14 LEU CD2 C 1.735 2.688 -4.070 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CD2 . . . . . . . . . rr_2mc7 1 . 1 . 228 . 1 1 14 LEU CG C 1.566 2.131 -2.665 . . . 1.0 . . . . . . . . . . . . A . 14 LEU CG . . . . . . . . . rr_2mc7 1 . 1 . 229 . 1 1 14 LEU H H -0.679 -1.124 -2.527 . . . 1.0 . . . . . . . . . . . . A . 14 LEU H . . . . . . . . . rr_2mc7 1 . 1 . 230 . 1 1 14 LEU HA H 1.511 -0.223 -0.961 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HA . . . . . . . . . rr_2mc7 1 . 1 . 231 . 1 1 14 LEU HB2 H 1.260 0.096 -3.313 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HB2 . . . . . . . . . rr_2mc7 1 . 1 . 232 . 1 1 14 LEU HB3 H -0.182 1.049 -3.264 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HB3 . . . . . . . . . rr_2mc7 1 . 1 . 233 . 1 1 14 LEU HD11 H 3.392 0.958 -2.477 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD11 . . . . . . . . . rr_2mc7 1 . 1 . 234 . 1 1 14 LEU HD12 H 2.813 1.701 -0.943 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD12 . . . . . . . . . rr_2mc7 1 . 1 . 235 . 1 1 14 LEU HD13 H 3.582 2.741 -2.225 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD13 . . . . . . . . . rr_2mc7 1 . 1 . 236 . 1 1 14 LEU HD21 H 2.354 3.610 -4.057 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD21 . . . . . . . . . rr_2mc7 1 . 1 . 237 . 1 1 14 LEU HD22 H 0.764 2.816 -4.594 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD22 . . . . . . . . . rr_2mc7 1 . 1 . 238 . 1 1 14 LEU HD23 H 2.325 1.976 -4.686 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HD23 . . . . . . . . . rr_2mc7 1 . 1 . 239 . 1 1 14 LEU HG H 1.088 2.883 -2.001 . . . 1.0 . . . . . . . . . . . . A . 14 LEU HG . . . . . . . . . rr_2mc7 1 . 1 . 240 . 1 1 14 LEU N N -0.261 -0.978 -1.634 . . . 1.0 . . . . . . . . . . . . A . 14 LEU N . . . . . . . . . rr_2mc7 1 . 1 . 241 . 1 1 14 LEU O O 0.734 1.479 0.500 . . . 1.0 . . . . . . . . . . . . A . 14 LEU O . . . . . . . . . rr_2mc7 1 . 1 . 242 . 1 1 15 LEU C C -2.227 1.970 1.721 . . . 1.0 . . . . . . . . . . . . A . 15 LEU C . . . . . . . . . rr_2mc7 1 . 1 . 243 . 1 1 15 LEU CA C -2.054 2.481 0.270 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CA . . . . . . . . . rr_2mc7 1 . 1 . 244 . 1 1 15 LEU CB C -3.355 3.008 -0.409 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CB . . . . . . . . . rr_2mc7 1 . 1 . 245 . 1 1 15 LEU CD1 C -4.059 3.952 -2.624 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CD1 . . . . . . . . . rr_2mc7 1 . 1 . 246 . 1 1 15 LEU CD2 C -2.611 5.267 -1.018 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CD2 . . . . . . . . . rr_2mc7 1 . 1 . 247 . 1 1 15 LEU CG C -2.983 3.908 -1.584 . . . 1.0 . . . . . . . . . . . . A . 15 LEU CG . . . . . . . . . rr_2mc7 1 . 1 . 248 . 1 1 15 LEU H H -1.850 1.183 -1.306 . . . 1.0 . . . . . . . . . . . . A . 15 LEU H . . . . . . . . . rr_2mc7 1 . 1 . 249 . 1 1 15 LEU HA H -1.344 3.281 0.421 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HA . . . . . . . . . rr_2mc7 1 . 1 . 250 . 1 1 15 LEU HB2 H -3.774 2.171 -1.008 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HB2 . . . . . . . . . rr_2mc7 1 . 1 . 251 . 1 1 15 LEU HB3 H -4.072 3.526 0.262 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HB3 . . . . . . . . . rr_2mc7 1 . 1 . 252 . 1 1 15 LEU HD11 H -3.758 4.586 -3.485 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD11 . . . . . . . . . rr_2mc7 1 . 1 . 253 . 1 1 15 LEU HD12 H -5.081 4.315 -2.383 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD12 . . . . . . . . . rr_2mc7 1 . 1 . 254 . 1 1 15 LEU HD13 H -4.138 2.912 -3.006 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD13 . . . . . . . . . rr_2mc7 1 . 1 . 255 . 1 1 15 LEU HD21 H -1.912 5.218 -0.156 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD21 . . . . . . . . . rr_2mc7 1 . 1 . 256 . 1 1 15 LEU HD22 H -3.517 5.875 -0.807 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD22 . . . . . . . . . rr_2mc7 1 . 1 . 257 . 1 1 15 LEU HD23 H -2.028 5.836 -1.774 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HD23 . . . . . . . . . rr_2mc7 1 . 1 . 258 . 1 1 15 LEU HG H -2.054 3.534 -2.065 . . . 1.0 . . . . . . . . . . . . A . 15 LEU HG . . . . . . . . . rr_2mc7 1 . 1 . 259 . 1 1 15 LEU N N -1.285 1.554 -0.573 . . . 1.0 . . . . . . . . . . . . A . 15 LEU N . . . . . . . . . rr_2mc7 1 . 1 . 260 . 1 1 15 LEU O O -1.947 2.732 2.667 . . . 1.0 . . . . . . . . . . . . A . 15 LEU O . . . . . . . . . rr_2mc7 1 . 1 . 261 . 1 1 16 ILE C C -1.206 -0.159 3.853 . . . 1.0 . . . . . . . . . . . . A . 16 ILE C . . . . . . . . . rr_2mc7 1 . 1 . 262 . 1 1 16 ILE CA C -2.627 0.061 3.194 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CA . . . . . . . . . rr_2mc7 1 . 1 . 263 . 1 1 16 ILE CB C -3.566 -1.230 3.344 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CB . . . . . . . . . rr_2mc7 1 . 1 . 264 . 1 1 16 ILE CD1 C -5.897 -2.383 2.879 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CD1 . . . . . . . . . rr_2mc7 1 . 1 . 265 . 1 1 16 ILE CG1 C -4.946 -1.167 2.629 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG1 . . . . . . . . . rr_2mc7 1 . 1 . 266 . 1 1 16 ILE CG2 C -3.635 -1.442 4.926 . . . 1.0 . . . . . . . . . . . . A . 16 ILE CG2 . . . . . . . . . rr_2mc7 1 . 1 . 267 . 1 1 16 ILE H H -2.796 -0.001 1.182 . . . 1.0 . . . . . . . . . . . . A . 16 ILE H . . . . . . . . . rr_2mc7 1 . 1 . 268 . 1 1 16 ILE HA H -3.027 0.744 3.929 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HA . . . . . . . . . rr_2mc7 1 . 1 . 269 . 1 1 16 ILE HB H -2.982 -2.133 3.065 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HB . . . . . . . . . rr_2mc7 1 . 1 . 270 . 1 1 16 ILE HD11 H -6.794 -2.369 2.225 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD11 . . . . . . . . . rr_2mc7 1 . 1 . 271 . 1 1 16 ILE HD12 H -5.388 -3.345 2.655 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD12 . . . . . . . . . rr_2mc7 1 . 1 . 272 . 1 1 16 ILE HD13 H -6.208 -2.331 3.944 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HD13 . . . . . . . . . rr_2mc7 1 . 1 . 273 . 1 1 16 ILE HG12 H -5.503 -0.221 2.795 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG12 . . . . . . . . . rr_2mc7 1 . 1 . 274 . 1 1 16 ILE HG13 H -4.762 -1.325 1.545 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG13 . . . . . . . . . rr_2mc7 1 . 1 . 275 . 1 1 16 ILE HG21 H -4.149 -0.554 5.351 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG21 . . . . . . . . . rr_2mc7 1 . 1 . 276 . 1 1 16 ILE HG22 H -2.735 -1.384 5.575 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG22 . . . . . . . . . rr_2mc7 1 . 1 . 277 . 1 1 16 ILE HG23 H -4.183 -2.354 5.246 . . . 1.0 . . . . . . . . . . . . A . 16 ILE HG23 . . . . . . . . . rr_2mc7 1 . 1 . 278 . 1 1 16 ILE N N -2.632 0.697 1.875 . . . 1.0 . . . . . . . . . . . . A . 16 ILE N . . . . . . . . . rr_2mc7 1 . 1 . 279 . 1 1 16 ILE O O -1.010 0.200 5.003 . . . 1.0 . . . . . . . . . . . . A . 16 ILE O . . . . . . . . . rr_2mc7 1 . 1 . 280 . 1 1 17 SER C C 1.662 0.827 3.895 . . . 1.0 . . . . . . . . . . . . A . 17 SER C . . . . . . . . . rr_2mc7 1 . 1 . 281 . 1 1 17 SER CA C 1.156 -0.550 3.468 . . . 1.0 . . . . . . . . . . . . A . 17 SER CA . . . . . . . . . rr_2mc7 1 . 1 . 282 . 1 1 17 SER CB C 2.199 -1.000 2.441 . . . 1.0 . . . . . . . . . . . . A . 17 SER CB . . . . . . . . . rr_2mc7 1 . 1 . 283 . 1 1 17 SER H H -0.459 -0.721 2.098 . . . 1.0 . . . . . . . . . . . . A . 17 SER H . . . . . . . . . rr_2mc7 1 . 1 . 284 . 1 1 17 SER HA H 1.171 -1.219 4.315 . . . 1.0 . . . . . . . . . . . . A . 17 SER HA . . . . . . . . . rr_2mc7 1 . 1 . 285 . 1 1 17 SER HB2 H 2.018 -0.427 1.507 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB2 . . . . . . . . . rr_2mc7 1 . 1 . 286 . 1 1 17 SER HB3 H 3.271 -0.896 2.714 . . . 1.0 . . . . . . . . . . . . A . 17 SER HB3 . . . . . . . . . rr_2mc7 1 . 1 . 287 . 1 1 17 SER HG H 1.359 -2.333 1.506 . . . 1.0 . . . . . . . . . . . . A . 17 SER HG . . . . . . . . . rr_2mc7 1 . 1 . 288 . 1 1 17 SER N N -0.193 -0.491 3.031 . . . 1.0 . . . . . . . . . . . . A . 17 SER N . . . . . . . . . rr_2mc7 1 . 1 . 289 . 1 1 17 SER O O 2.250 0.957 4.911 . . . 1.0 . . . . . . . . . . . . A . 17 SER O . . . . . . . . . rr_2mc7 1 . 1 . 290 . 1 1 17 SER OG O 2.137 -2.376 2.067 . . . 1.0 . . . . . . . . . . . . A . 17 SER OG . . . . . . . . . rr_2mc7 1 . 1 . 291 . 1 1 18 LEU C C 1.025 3.769 4.834 . . . 1.0 . . . . . . . . . . . . A . 18 LEU C . . . . . . . . . rr_2mc7 1 . 1 . 292 . 1 1 18 LEU CA C 1.634 3.218 3.468 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CA . . . . . . . . . rr_2mc7 1 . 1 . 293 . 1 1 18 LEU CB C 1.189 4.167 2.295 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CB . . . . . . . . . rr_2mc7 1 . 1 . 294 . 1 1 18 LEU CD1 C 3.109 5.705 2.605 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CD1 . . . . . . . . . rr_2mc7 1 . 1 . 295 . 1 1 18 LEU CD2 C 1.122 6.440 1.179 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CD2 . . . . . . . . . rr_2mc7 1 . 1 . 296 . 1 1 18 LEU CG C 1.582 5.623 2.376 . . . 1.0 . . . . . . . . . . . . A . 18 LEU CG . . . . . . . . . rr_2mc7 1 . 1 . 297 . 1 1 18 LEU H H 0.843 1.755 2.269 . . . 1.0 . . . . . . . . . . . . A . 18 LEU H . . . . . . . . . rr_2mc7 1 . 1 . 298 . 1 1 18 LEU HA H 2.709 3.309 3.513 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HA . . . . . . . . . rr_2mc7 1 . 1 . 299 . 1 1 18 LEU HB2 H 1.700 3.649 1.455 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HB2 . . . . . . . . . rr_2mc7 1 . 1 . 300 . 1 1 18 LEU HB3 H 0.099 4.181 2.085 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HB3 . . . . . . . . . rr_2mc7 1 . 1 . 301 . 1 1 18 LEU HD11 H 3.407 5.300 3.596 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD11 . . . . . . . . . rr_2mc7 1 . 1 . 302 . 1 1 18 LEU HD12 H 3.463 6.723 2.338 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD12 . . . . . . . . . rr_2mc7 1 . 1 . 303 . 1 1 18 LEU HD13 H 3.557 4.938 1.938 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD13 . . . . . . . . . rr_2mc7 1 . 1 . 304 . 1 1 18 LEU HD21 H 1.591 5.946 0.301 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD21 . . . . . . . . . rr_2mc7 1 . 1 . 305 . 1 1 18 LEU HD22 H 1.565 7.448 1.324 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD22 . . . . . . . . . rr_2mc7 1 . 1 . 306 . 1 1 18 LEU HD23 H 0.018 6.435 1.054 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HD23 . . . . . . . . . rr_2mc7 1 . 1 . 307 . 1 1 18 LEU HG H 1.073 5.947 3.309 . . . 1.0 . . . . . . . . . . . . A . 18 LEU HG . . . . . . . . . rr_2mc7 1 . 1 . 308 . 1 1 18 LEU N N 1.333 1.848 3.132 . . . 1.0 . . . . . . . . . . . . A . 18 LEU N . . . . . . . . . rr_2mc7 1 . 1 . 309 . 1 1 18 LEU O O 1.746 4.401 5.648 . . . 1.0 . . . . . . . . . . . . A . 18 LEU O . . . . . . . . . rr_2mc7 1 . 1 . 310 . 1 1 19 LEU C C -0.435 3.007 7.512 . . . 1.0 . . . . . . . . . . . . A . 19 LEU C . . . . . . . . . rr_2mc7 1 . 1 . 311 . 1 1 19 LEU CA C -1.047 3.719 6.265 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CA . . . . . . . . . rr_2mc7 1 . 1 . 312 . 1 1 19 LEU CB C -2.504 3.273 6.034 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CB . . . . . . . . . rr_2mc7 1 . 1 . 313 . 1 1 19 LEU CD1 C -3.449 5.037 7.699 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CD1 . . . . . . . . . rr_2mc7 1 . 1 . 314 . 1 1 19 LEU CD2 C -4.965 3.105 6.731 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CD2 . . . . . . . . . rr_2mc7 1 . 1 . 315 . 1 1 19 LEU CG C -3.532 3.581 7.238 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CG . . . . . . . . . rr_2mc7 1 . 1 . 316 . 1 1 19 LEU H H -0.807 3.250 4.321 . . . 1.0 . . . . . . . . . . . . A . 19 LEU H . . . . . . . . . rr_2mc7 1 . 1 . 317 . 1 1 19 LEU HA H -1.051 4.784 6.444 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HA . . . . . . . . . rr_2mc7 1 . 1 . 318 . 1 1 19 LEU HB2 H -2.923 3.742 5.118 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HB2 . . . . . . . . . rr_2mc7 1 . 1 . 319 . 1 1 19 LEU HB3 H -2.457 2.167 5.936 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HB3 . . . . . . . . . rr_2mc7 1 . 1 . 320 . 1 1 19 LEU HD11 H -2.421 5.363 7.964 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD11 . . . . . . . . . rr_2mc7 1 . 1 . 321 . 1 1 19 LEU HD12 H -4.207 5.279 8.474 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD12 . . . . . . . . . rr_2mc7 1 . 1 . 322 . 1 1 19 LEU HD13 H -3.760 5.723 6.883 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD13 . . . . . . . . . rr_2mc7 1 . 1 . 323 . 1 1 19 LEU HD21 H -4.845 2.070 6.346 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD21 . . . . . . . . . rr_2mc7 1 . 1 . 324 . 1 1 19 LEU HD22 H -5.308 3.755 5.898 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD22 . . . . . . . . . rr_2mc7 1 . 1 . 325 . 1 1 19 LEU HD23 H -5.687 3.084 7.575 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD23 . . . . . . . . . rr_2mc7 1 . 1 . 326 . 1 1 19 LEU HG H -3.370 2.920 8.116 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HG . . . . . . . . . rr_2mc7 1 . 1 . 327 . 1 1 19 LEU N N -0.251 3.624 5.060 . . . 1.0 . . . . . . . . . . . . A . 19 LEU N . . . . . . . . . rr_2mc7 1 . 1 . 328 . 1 1 19 LEU O O -0.110 3.626 8.461 . . . 1.0 . . . . . . . . . . . . A . 19 LEU O . . . . . . . . . rr_2mc7 1 . 1 . 329 . 1 1 20 VAL C C 2.192 1.766 8.590 . . . 1.0 . . . . . . . . . . . . A . 20 VAL C . . . . . . . . . rr_2mc7 1 . 1 . 330 . 1 1 20 VAL CA C 0.823 1.045 8.327 . . . 1.0 . . . . . . . . . . . . A . 20 VAL CA . . . . . . . . . rr_2mc7 1 . 1 . 331 . 1 1 20 VAL CB C 1.036 -0.381 7.845 . . . 1.0 . . . . . . . . . . . . A . 20 VAL CB . . . . . . . . . rr_2mc7 1 . 1 . 332 . 1 1 20 VAL CG1 C 2.055 -1.069 8.739 . . . 1.0 . . . . . . . . . . . . A . 20 VAL CG1 . . . . . . . . . rr_2mc7 1 . 1 . 333 . 1 1 20 VAL CG2 C -0.344 -1.180 7.905 . . . 1.0 . . . . . . . . . . . . A . 20 VAL CG2 . . . . . . . . . rr_2mc7 1 . 1 . 334 . 1 1 20 VAL H H -0.288 1.201 6.581 . . . 1.0 . . . . . . . . . . . . A . 20 VAL H . . . . . . . . . rr_2mc7 1 . 1 . 335 . 1 1 20 VAL HA H 0.366 0.925 9.299 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HA . . . . . . . . . rr_2mc7 1 . 1 . 336 . 1 1 20 VAL HB H 1.378 -0.330 6.789 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HB . . . . . . . . . rr_2mc7 1 . 1 . 337 . 1 1 20 VAL HG11 H 1.722 -0.960 9.793 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG11 . . . . . . . . . rr_2mc7 1 . 1 . 338 . 1 1 20 VAL HG12 H 3.113 -0.737 8.671 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG12 . . . . . . . . . rr_2mc7 1 . 1 . 339 . 1 1 20 VAL HG13 H 2.047 -2.156 8.507 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG13 . . . . . . . . . rr_2mc7 1 . 1 . 340 . 1 1 20 VAL HG21 H -1.139 -0.669 7.320 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG21 . . . . . . . . . rr_2mc7 1 . 1 . 341 . 1 1 20 VAL HG22 H -0.803 -1.125 8.915 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG22 . . . . . . . . . rr_2mc7 1 . 1 . 342 . 1 1 20 VAL HG23 H -0.324 -2.255 7.623 . . . 1.0 . . . . . . . . . . . . A . 20 VAL HG23 . . . . . . . . . rr_2mc7 1 . 1 . 343 . 1 1 20 VAL N N -0.087 1.724 7.406 . . . 1.0 . . . . . . . . . . . . A . 20 VAL N . . . . . . . . . rr_2mc7 1 . 1 . 344 . 1 1 20 VAL O O 2.553 1.913 9.769 . . . 1.0 . . . . . . . . . . . . A . 20 VAL O . . . . . . . . . rr_2mc7 1 . 1 . 345 . 1 1 21 LEU C C 3.922 4.201 8.529 . . . 1.0 . . . . . . . . . . . . A . 21 LEU C . . . . . . . . . rr_2mc7 1 . 1 . 346 . 1 1 21 LEU CA C 4.161 2.933 7.723 . . . 1.0 . . . . . . . . . . . . A . 21 LEU CA . . . . . . . . . rr_2mc7 1 . 1 . 347 . 1 1 21 LEU CB C 4.823 3.204 6.302 . . . 1.0 . . . . . . . . . . . . A . 21 LEU CB . . . . . . . . . rr_2mc7 1 . 1 . 348 . 1 1 21 LEU CD1 C 7.322 3.464 7.047 . . . 1.0 . . . . . . . . . . . . A . 21 LEU CD1 . . . . . . . . . rr_2mc7 1 . 1 . 349 . 1 1 21 LEU CD2 C 6.485 4.115 4.659 . . . 1.0 . . . . . . . . . . . . A . 21 LEU CD2 . . . . . . . . . rr_2mc7 1 . 1 . 350 . 1 1 21 LEU CG C 6.147 4.033 6.195 . . . 1.0 . . . . . . . . . . . . A . 21 LEU CG . . . . . . . . . rr_2mc7 1 . 1 . 351 . 1 1 21 LEU H H 2.719 1.991 6.579 . . . 1.0 . . . . . . . . . . . . A . 21 LEU H . . . . . . . . . rr_2mc7 1 . 1 . 352 . 1 1 21 LEU HA H 4.806 2.342 8.357 . . . 1.0 . . . . . . . . . . . . A . 21 LEU HA . . . . . . . . . rr_2mc7 1 . 1 . 353 . 1 1 21 LEU HB2 H 4.979 2.220 5.811 . . . 1.0 . . . . . . . . . . . . A . 21 LEU HB2 . . . . . . . . . rr_2mc7 1 . 1 . 354 . 1 1 21 LEU HB3 H 4.028 3.729 5.732 . . . 1.0 . . . . . . . . . . . . A . 21 LEU HB3 . . . . . . . . . rr_2mc7 1 . 1 . 355 . 1 1 21 LEU HD11 H 7.235 3.540 8.152 . . . 1.0 . . . . . . . . . . . . A . 21 LEU HD11 . . . . . . . . . rr_2mc7 1 . 1 . 356 . 1 1 21 LEU HD12 H 8.305 3.922 6.804 . . . 1.0 . . . . . . . . . . . . A . 21 LEU HD12 . . . . . . . . . rr_2mc7 1 . 1 . 357 . 1 1 21 LEU HD13 H 7.365 2.359 6.943 . . . 1.0 . . . . . . . . . . . . A . 21 LEU HD13 . . . . . . . . . rr_2mc7 1 . 1 . 358 . 1 1 21 LEU HD21 H 5.768 4.507 3.907 . . . 1.0 . . . . . . . . . . . . A . 21 LEU HD21 . . . . . . . . . rr_2mc7 1 . 1 . 359 . 1 1 21 LEU HD22 H 6.636 3.044 4.405 . . . 1.0 . . . . . . . . . . . . A . 21 LEU HD22 . . . . . . . . . rr_2mc7 1 . 1 . 360 . 1 1 21 LEU HD23 H 7.416 4.672 4.421 . . . 1.0 . . . . . . . . . . . . A . 21 LEU HD23 . . . . . . . . . rr_2mc7 1 . 1 . 361 . 1 1 21 LEU HG H 5.912 5.053 6.568 . . . 1.0 . . . . . . . . . . . . A . 21 LEU HG . . . . . . . . . rr_2mc7 1 . 1 . 362 . 1 1 21 LEU N N 2.932 2.173 7.535 . . . 1.0 . . . . . . . . . . . . A . 21 LEU N . . . . . . . . . rr_2mc7 1 . 1 . 363 . 1 1 21 LEU O O 4.626 4.361 9.500 . . . 1.0 . . . . . . . . . . . . A . 21 LEU O . . . . . . . . . rr_2mc7 1 . 1 . 364 . 1 1 22 CYS C C 2.393 6.084 10.299 . . . 1.0 . . . . . . . . . . . . A . 22 CYS C . . . . . . . . . rr_2mc7 1 . 1 . 365 . 1 1 22 CYS CA C 2.622 6.306 8.831 . . . 1.0 . . . . . . . . . . . . A . 22 CYS CA . . . . . . . . . rr_2mc7 1 . 1 . 366 . 1 1 22 CYS CB C 1.554 7.131 8.129 . . . 1.0 . . . . . . . . . . . . A . 22 CYS CB . . . . . . . . . rr_2mc7 1 . 1 . 367 . 1 1 22 CYS H H 2.440 4.949 7.285 . . . 1.0 . . . . . . . . . . . . A . 22 CYS H . . . . . . . . . rr_2mc7 1 . 1 . 368 . 1 1 22 CYS HA H 3.579 6.787 8.691 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HA . . . . . . . . . rr_2mc7 1 . 1 . 369 . 1 1 22 CYS HB2 H 0.678 6.451 8.051 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HB2 . . . . . . . . . rr_2mc7 1 . 1 . 370 . 1 1 22 CYS HB3 H 1.334 8.020 8.758 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HB3 . . . . . . . . . rr_2mc7 1 . 1 . 371 . 1 1 22 CYS HG H 1.995 6.260 6.127 . . . 1.0 . . . . . . . . . . . . A . 22 CYS HG . . . . . . . . . rr_2mc7 1 . 1 . 372 . 1 1 22 CYS N N 2.828 5.054 8.197 . . . 1.0 . . . . . . . . . . . . A . 22 CYS N . . . . . . . . . rr_2mc7 1 . 1 . 373 . 1 1 22 CYS O O 2.884 6.741 11.203 . . . 1.0 . . . . . . . . . . . . A . 22 CYS O . . . . . . . . . rr_2mc7 1 . 1 . 374 . 1 1 22 CYS SG S 2.118 7.532 6.476 . . . 1.0 . . . . . . . . . . . . A . 22 CYS SG . . . . . . . . . rr_2mc7 1 . 1 . 375 . 1 1 23 LEU C C 2.298 4.301 12.813 . . . 1.0 . . . . . . . . . . . . A . 23 LEU C . . . . . . . . . rr_2mc7 1 . 1 . 376 . 1 1 23 LEU CA C 1.193 4.798 11.942 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CA . . . . . . . . . rr_2mc7 1 . 1 . 377 . 1 1 23 LEU CB C 0.035 3.827 12.026 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CB . . . . . . . . . rr_2mc7 1 . 1 . 378 . 1 1 23 LEU CD1 C -2.290 3.066 10.782 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CD1 . . . . . . . . . rr_2mc7 1 . 1 . 379 . 1 1 23 LEU CD2 C -2.121 5.228 12.196 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CD2 . . . . . . . . . rr_2mc7 1 . 1 . 380 . 1 1 23 LEU CG C -1.326 4.230 11.369 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CG . . . . . . . . . rr_2mc7 1 . 1 . 381 . 1 1 23 LEU H H 1.079 4.547 9.983 . . . 1.0 . . . . . . . . . . . . A . 23 LEU H . . . . . . . . . rr_2mc7 1 . 1 . 382 . 1 1 23 LEU HA H 0.936 5.760 12.361 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HA . . . . . . . . . rr_2mc7 1 . 1 . 383 . 1 1 23 LEU HB2 H 0.299 2.816 11.647 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HB2 . . . . . . . . . rr_2mc7 1 . 1 . 384 . 1 1 23 LEU HB3 H -0.219 3.522 13.064 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HB3 . . . . . . . . . rr_2mc7 1 . 1 . 385 . 1 1 23 LEU HD11 H -3.115 3.562 10.227 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD11 . . . . . . . . . rr_2mc7 1 . 1 . 386 . 1 1 23 LEU HD12 H -2.641 2.349 11.556 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD12 . . . . . . . . . rr_2mc7 1 . 1 . 387 . 1 1 23 LEU HD13 H -1.875 2.448 9.957 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD13 . . . . . . . . . rr_2mc7 1 . 1 . 388 . 1 1 23 LEU HD21 H -2.464 4.732 13.129 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD21 . . . . . . . . . rr_2mc7 1 . 1 . 389 . 1 1 23 LEU HD22 H -3.050 5.544 11.674 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD22 . . . . . . . . . rr_2mc7 1 . 1 . 390 . 1 1 23 LEU HD23 H -1.539 6.038 12.685 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HD23 . . . . . . . . . rr_2mc7 1 . 1 . 391 . 1 1 23 LEU HG H -1.077 4.728 10.408 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HG . . . . . . . . . rr_2mc7 1 . 1 . 392 . 1 1 23 LEU N N 1.610 5.100 10.620 . . . 1.0 . . . . . . . . . . . . A . 23 LEU N . . . . . . . . . rr_2mc7 1 . 1 . 393 . 1 1 23 LEU O O 2.354 4.615 14.043 . . . 1.0 . . . . . . . . . . . . A . 23 LEU O . . . . . . . . . rr_2mc7 1 . 1 . 394 . 1 1 24 ALA C C 5.425 3.835 13.154 . . . 1.0 . . . . . . . . . . . . A . 24 ALA C . . . . . . . . . rr_2mc7 1 . 1 . 395 . 1 1 24 ALA CA C 4.334 2.817 12.922 . . . 1.0 . . . . . . . . . . . . A . 24 ALA CA . . . . . . . . . rr_2mc7 1 . 1 . 396 . 1 1 24 ALA CB C 4.893 1.731 11.976 . . . 1.0 . . . . . . . . . . . . A . 24 ALA CB . . . . . . . . . rr_2mc7 1 . 1 . 397 . 1 1 24 ALA H H 2.984 3.061 11.326 . . . 1.0 . . . . . . . . . . . . A . 24 ALA H . . . . . . . . . rr_2mc7 1 . 1 . 398 . 1 1 24 ALA HA H 4.195 2.517 13.950 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HA . . . . . . . . . rr_2mc7 1 . 1 . 399 . 1 1 24 ALA HB1 H 5.250 2.027 10.966 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HB1 . . . . . . . . . rr_2mc7 1 . 1 . 400 . 1 1 24 ALA HB2 H 4.114 0.964 11.774 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HB2 . . . . . . . . . rr_2mc7 1 . 1 . 401 . 1 1 24 ALA HB3 H 5.820 1.430 12.510 . . . 1.0 . . . . . . . . . . . . A . 24 ALA HB3 . . . . . . . . . rr_2mc7 1 . 1 . 402 . 1 1 24 ALA N N 3.151 3.413 12.243 . . . 1.0 . . . . . . . . . . . . A . 24 ALA N . . . . . . . . . rr_2mc7 1 . 1 . 403 . 1 1 24 ALA O O 6.163 3.745 14.060 . . . 1.0 . . . . . . . . . . . . A . 24 ALA O . . . . . . . . . rr_2mc7 1 . 1 . 404 . 1 1 25 LEU C C 5.855 6.920 13.466 . . . 1.0 . . . . . . . . . . . . A . 25 LEU C . . . . . . . . . rr_2mc7 1 . 1 . 405 . 1 1 25 LEU CA C 6.390 6.019 12.400 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CA . . . . . . . . . rr_2mc7 1 . 1 . 406 . 1 1 25 LEU CB C 6.601 6.735 11.000 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CB . . . . . . . . . rr_2mc7 1 . 1 . 407 . 1 1 25 LEU CD1 C 7.451 6.912 8.740 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD1 . . . . . . . . . rr_2mc7 1 . 1 . 408 . 1 1 25 LEU CD2 C 9.026 6.099 10.661 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CD2 . . . . . . . . . rr_2mc7 1 . 1 . 409 . 1 1 25 LEU CG C 7.541 6.138 10.058 . . . 1.0 . . . . . . . . . . . . A . 25 LEU CG . . . . . . . . . rr_2mc7 1 . 1 . 410 . 1 1 25 LEU H H 4.984 4.821 11.404 . . . 1.0 . . . . . . . . . . . . A . 25 LEU H . . . . . . . . . rr_2mc7 1 . 1 . 411 . 1 1 25 LEU HA H 7.344 5.747 12.826 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HA . . . . . . . . . rr_2mc7 1 . 1 . 412 . 1 1 25 LEU HB2 H 5.572 6.835 10.594 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB2 . . . . . . . . . rr_2mc7 1 . 1 . 413 . 1 1 25 LEU HB3 H 7.004 7.748 11.211 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HB3 . . . . . . . . . rr_2mc7 1 . 1 . 414 . 1 1 25 LEU HD11 H 8.035 6.445 7.918 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD11 . . . . . . . . . rr_2mc7 1 . 1 . 415 . 1 1 25 LEU HD12 H 7.846 7.944 8.847 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD12 . . . . . . . . . rr_2mc7 1 . 1 . 416 . 1 1 25 LEU HD13 H 6.393 7.119 8.469 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD13 . . . . . . . . . rr_2mc7 1 . 1 . 417 . 1 1 25 LEU HD21 H 8.960 5.174 11.273 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD21 . . . . . . . . . rr_2mc7 1 . 1 . 418 . 1 1 25 LEU HD22 H 9.230 7.005 11.272 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD22 . . . . . . . . . rr_2mc7 1 . 1 . 419 . 1 1 25 LEU HD23 H 9.721 5.870 9.825 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HD23 . . . . . . . . . rr_2mc7 1 . 1 . 420 . 1 1 25 LEU HG H 7.257 5.115 9.728 . . . 1.0 . . . . . . . . . . . . A . 25 LEU HG . . . . . . . . . rr_2mc7 1 . 1 . 421 . 1 1 25 LEU N N 5.549 4.841 12.225 . . . 1.0 . . . . . . . . . . . . A . 25 LEU N . . . . . . . . . rr_2mc7 1 . 1 . 422 . 1 1 25 LEU O O 6.577 7.462 14.283 . . . 1.0 . . . . . . . . . . . . A . 25 LEU O . . . . . . . . . rr_2mc7 1 . 1 . 423 . 1 1 26 TRP C C 3.972 7.820 15.865 . . . 1.0 . . . . . . . . . . . . A . 26 TRP C . . . . . . . . . rr_2mc7 1 . 1 . 424 . 1 1 26 TRP CA C 4.033 8.263 14.355 . . . 1.0 . . . . . . . . . . . . A . 26 TRP CA . . . . . . . . . rr_2mc7 1 . 1 . 425 . 1 1 26 TRP CB C 2.561 8.409 13.898 . . . 1.0 . . . . . . . . . . . . A . 26 TRP CB . . . . . . . . . rr_2mc7 1 . 1 . 426 . 1 1 26 TRP CD1 C 2.021 10.663 15.177 . . . 1.0 . . . . . . . . . . . . A . 26 TRP CD1 . . . . . . . . . rr_2mc7 1 . 1 . 427 . 1 1 26 TRP CD2 C 0.218 9.362 14.658 . . . 1.0 . . . . . . . . . . . . A . 26 TRP CD2 . . . . . . . . . rr_2mc7 1 . 1 . 428 . 1 1 26 TRP CE2 C -0.195 10.518 15.257 . . . 1.0 . . . . . . . . . . . . A . 26 TRP CE2 . . . . . . . . . rr_2mc7 1 . 1 . 429 . 1 1 26 TRP CE3 C -0.681 8.394 14.186 . . . 1.0 . . . . . . . . . . . . A . 26 TRP CE3 . . . . . . . . . rr_2mc7 1 . 1 . 430 . 1 1 26 TRP CG C 1.668 9.473 14.599 . . . 1.0 . . . . . . . . . . . . A . 26 TRP CG . . . . . . . . . rr_2mc7 1 . 1 . 431 . 1 1 26 TRP CH2 C -2.448 9.812 14.948 . . . 1.0 . . . . . . . . . . . . A . 26 TRP CH2 . . . . . . . . . rr_2mc7 1 . 1 . 432 . 1 1 26 TRP CZ2 C -1.552 10.757 15.376 . . . 1.0 . . . . . . . . . . . . A . 26 TRP CZ2 . . . . . . . . . rr_2mc7 1 . 1 . 433 . 1 1 26 TRP CZ3 C -2.021 8.620 14.382 . . . 1.0 . . . . . . . . . . . . A . 26 TRP CZ3 . . . . . . . . . rr_2mc7 1 . 1 . 434 . 1 1 26 TRP H H 3.871 6.903 12.836 . . . 1.0 . . . . . . . . . . . . A . 26 TRP H . . . . . . . . . rr_2mc7 1 . 1 . 435 . 1 1 26 TRP HA H 4.580 9.191 14.275 . . . 1.0 . . . . . . . . . . . . A . 26 TRP HA . . . . . . . . . rr_2mc7 1 . 1 . 436 . 1 1 26 TRP HB2 H 2.375 8.581 12.816 . . . 1.0 . . . . . . . . . . . . A . 26 TRP HB2 . . . . . . . . . rr_2mc7 1 . 1 . 437 . 1 1 26 TRP HB3 H 2.100 7.412 14.063 . . . 1.0 . . . . . . . . . . . . A . 26 TRP HB3 . . . . . . . . . rr_2mc7 1 . 1 . 438 . 1 1 26 TRP HD1 H 3.000 10.985 15.497 . . . 1.0 . . . . . . . . . . . . A . 26 TRP HD1 . . . . . . . . . rr_2mc7 1 . 1 . 439 . 1 1 26 TRP HE1 H 0.778 12.071 16.119 . . . 1.0 . . . . . . . . . . . . A . 26 TRP HE1 . . . . . . . . . rr_2mc7 1 . 1 . 440 . 1 1 26 TRP HE3 H -0.281 7.498 13.736 . . . 1.0 . . . . . . . . . . . . A . 26 TRP HE3 . . . . . . . . . rr_2mc7 1 . 1 . 441 . 1 1 26 TRP HH2 H -3.495 9.823 15.212 . . . 1.0 . . . . . . . . . . . . A . 26 TRP HH2 . . . . . . . . . rr_2mc7 1 . 1 . 442 . 1 1 26 TRP HZ2 H -1.946 11.632 15.873 . . . 1.0 . . . . . . . . . . . . A . 26 TRP HZ2 . . . . . . . . . rr_2mc7 1 . 1 . 443 . 1 1 26 TRP HZ3 H -2.783 7.974 13.973 . . . 1.0 . . . . . . . . . . . . A . 26 TRP HZ3 . . . . . . . . . rr_2mc7 1 . 1 . 444 . 1 1 26 TRP N N 4.533 7.255 13.493 . . . 1.0 . . . . . . . . . . . . A . 26 TRP N . . . . . . . . . rr_2mc7 1 . 1 . 445 . 1 1 26 TRP NE1 N 0.902 11.293 15.543 . . . 1.0 . . . . . . . . . . . . A . 26 TRP NE1 . . . . . . . . . rr_2mc7 1 . 1 . 446 . 1 1 26 TRP O O 4.443 8.539 16.754 . . . 1.0 . . . . . . . . . . . . A . 26 TRP O . . . . . . . . . rr_2mc7 1 . 1 . 447 . 1 1 27 GLN C C 3.544 4.651 17.562 . . . 1.0 . . . . . . . . . . . . A . 27 GLN C . . . . . . . . . rr_2mc7 1 . 1 . 448 . 1 1 27 GLN CA C 3.261 6.180 17.422 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CA . . . . . . . . . rr_2mc7 1 . 1 . 449 . 1 1 27 GLN CB C 1.775 6.488 17.785 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CB . . . . . . . . . rr_2mc7 1 . 1 . 450 . 1 1 27 GLN CD C -0.706 6.146 17.512 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CD . . . . . . . . . rr_2mc7 1 . 1 . 451 . 1 1 27 GLN CG C 0.654 5.960 16.824 . . . 1.0 . . . . . . . . . . . . A . 27 GLN CG . . . . . . . . . rr_2mc7 1 . 1 . 452 . 1 1 27 GLN H H 3.254 5.979 15.406 . . . 1.0 . . . . . . . . . . . . A . 27 GLN H . . . . . . . . . rr_2mc7 1 . 1 . 453 . 1 1 27 GLN HA H 3.940 6.690 18.090 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HA . . . . . . . . . rr_2mc7 1 . 1 . 454 . 1 1 27 GLN HB2 H 1.498 6.165 18.811 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HB2 . . . . . . . . . rr_2mc7 1 . 1 . 455 . 1 1 27 GLN HB3 H 1.722 7.597 17.837 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HB3 . . . . . . . . . rr_2mc7 1 . 1 . 456 . 1 1 27 GLN HE21 H -1.359 6.785 15.690 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HE21 . . . . . . . . . rr_2mc7 1 . 1 . 457 . 1 1 27 GLN HE22 H -2.597 6.470 16.935 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HE22 . . . . . . . . . rr_2mc7 1 . 1 . 458 . 1 1 27 GLN HG2 H 0.744 6.543 15.883 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HG2 . . . . . . . . . rr_2mc7 1 . 1 . 459 . 1 1 27 GLN HG3 H 0.794 4.873 16.640 . . . 1.0 . . . . . . . . . . . . A . 27 GLN HG3 . . . . . . . . . rr_2mc7 1 . 1 . 460 . 1 1 27 GLN N N 3.457 6.647 16.117 . . . 1.0 . . . . . . . . . . . . A . 27 GLN N . . . . . . . . . rr_2mc7 1 . 1 . 461 . 1 1 27 GLN NE2 N -1.652 6.570 16.622 . . . 1.0 . . . . . . . . . . . . A . 27 GLN NE2 . . . . . . . . . rr_2mc7 1 . 1 . 462 . 1 1 27 GLN O O 3.589 3.909 16.603 . . . 1.0 . . . . . . . . . . . . A . 27 GLN O . . . . . . . . . rr_2mc7 1 . 1 . 463 . 1 1 27 GLN OE1 O -0.985 5.916 18.700 . . . 1.0 . . . . . . . . . . . . A . 27 GLN OE1 . . . . . . . . . rr_2mc7 1 . 1 . 464 . 1 1 28 ILE C C 5.103 2.207 18.934 . . . 1.0 . . . . . . . . . . . . A . 28 ILE C . . . . . . . . . rr_2mc7 1 . 1 . 465 . 1 1 28 ILE CA C 3.793 2.790 19.234 . . . 1.0 . . . . . . . . . . . . A . 28 ILE CA . . . . . . . . . rr_2mc7 1 . 1 . 466 . 1 1 28 ILE CB C 2.541 1.884 18.988 . . . 1.0 . . . . . . . . . . . . A . 28 ILE CB . . . . . . . . . rr_2mc7 1 . 1 . 467 . 1 1 28 ILE CD1 C -0.002 1.872 18.841 . . . 1.0 . . . . . . . . . . . . A . 28 ILE CD1 . . . . . . . . . rr_2mc7 1 . 1 . 468 . 1 1 28 ILE CG1 C 1.274 2.604 19.329 . . . 1.0 . . . . . . . . . . . . A . 28 ILE CG1 . . . . . . . . . rr_2mc7 1 . 1 . 469 . 1 1 28 ILE CG2 C 2.617 0.556 19.708 . . . 1.0 . . . . . . . . . . . . A . 28 ILE CG2 . . . . . . . . . rr_2mc7 1 . 1 . 470 . 1 1 28 ILE H H 3.436 4.766 19.602 . . . 1.0 . . . . . . . . . . . . A . 28 ILE H . . . . . . . . . rr_2mc7 1 . 1 . 471 . 1 1 28 ILE HA H 3.650 2.714 20.302 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HA . . . . . . . . . rr_2mc7 1 . 1 . 472 . 1 1 28 ILE HB H 2.391 1.672 17.908 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HB . . . . . . . . . rr_2mc7 1 . 1 . 473 . 1 1 28 ILE HD11 H -0.916 2.392 19.198 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HD11 . . . . . . . . . rr_2mc7 1 . 1 . 474 . 1 1 28 ILE HD12 H 0.027 1.836 17.731 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HD12 . . . . . . . . . rr_2mc7 1 . 1 . 475 . 1 1 28 ILE HD13 H -0.050 0.869 19.317 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HD13 . . . . . . . . . rr_2mc7 1 . 1 . 476 . 1 1 28 ILE HG12 H 1.074 2.754 20.411 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HG12 . . . . . . . . . rr_2mc7 1 . 1 . 477 . 1 1 28 ILE HG13 H 1.247 3.569 18.780 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HG13 . . . . . . . . . rr_2mc7 1 . 1 . 478 . 1 1 28 ILE HG21 H 1.783 -0.093 19.366 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HG21 . . . . . . . . . rr_2mc7 1 . 1 . 479 . 1 1 28 ILE HG22 H 2.446 0.628 20.803 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HG22 . . . . . . . . . rr_2mc7 1 . 1 . 480 . 1 1 28 ILE HG23 H 3.614 0.074 19.613 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HG23 . . . . . . . . . rr_2mc7 1 . 1 . 481 . 1 1 28 ILE N N 3.586 4.159 18.826 . . . 1.0 . . . . . . . . . . . . A . 28 ILE N . . . . . . . . . rr_2mc7 1 . 1 . 482 . 1 1 28 ILE O O 5.403 1.781 17.817 . . . 1.0 . . . . . . . . . . . . A . 28 ILE O . . . . . . . . . rr_2mc7 1 . 1 . 483 . 1 1 29 VAL C C 7.252 0.041 20.252 . . . 1.0 . . . . . . . . . . . . A . 29 VAL C . . . . . . . . . rr_2mc7 1 . 1 . 484 . 1 1 29 VAL CA C 7.265 1.563 19.921 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CA . . . . . . . . . rr_2mc7 1 . 1 . 485 . 1 1 29 VAL CB C 8.142 2.234 20.871 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CB . . . . . . . . . rr_2mc7 1 . 1 . 486 . 1 1 29 VAL CG1 C 9.602 1.876 20.725 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CG1 . . . . . . . . . rr_2mc7 1 . 1 . 487 . 1 1 29 VAL CG2 C 8.106 3.761 20.727 . . . 1.0 . . . . . . . . . . . . A . 29 VAL CG2 . . . . . . . . . rr_2mc7 1 . 1 . 488 . 1 1 29 VAL H H 5.575 2.490 20.806 . . . 1.0 . . . . . . . . . . . . A . 29 VAL H . . . . . . . . . rr_2mc7 1 . 1 . 489 . 1 1 29 VAL HA H 7.560 1.742 18.898 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HA . . . . . . . . . rr_2mc7 1 . 1 . 490 . 1 1 29 VAL HB H 7.842 1.950 21.902 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HB . . . . . . . . . rr_2mc7 1 . 1 . 491 . 1 1 29 VAL HG11 H 9.785 0.792 20.889 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG11 . . . . . . . . . rr_2mc7 1 . 1 . 492 . 1 1 29 VAL HG12 H 10.299 2.528 21.293 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG12 . . . . . . . . . rr_2mc7 1 . 1 . 493 . 1 1 29 VAL HG13 H 9.926 1.936 19.664 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG13 . . . . . . . . . rr_2mc7 1 . 1 . 494 . 1 1 29 VAL HG21 H 7.227 4.175 21.266 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG21 . . . . . . . . . rr_2mc7 1 . 1 . 495 . 1 1 29 VAL HG22 H 8.049 4.092 19.668 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG22 . . . . . . . . . rr_2mc7 1 . 1 . 496 . 1 1 29 VAL HG23 H 9.058 4.181 21.115 . . . 1.0 . . . . . . . . . . . . A . 29 VAL HG23 . . . . . . . . . rr_2mc7 1 . 1 . 497 . 1 1 29 VAL N N 5.938 2.098 19.964 . . . 1.0 . . . . . . . . . . . . A . 29 VAL N . . . . . . . . . rr_2mc7 1 . 1 . 498 . 1 1 29 VAL O O 6.630 -0.446 21.213 . . . 1.0 . . . . . . . . . . . . A . 29 VAL O . . . . . . . . . rr_2mc7 1 . 1 . 499 . 1 1 30 PHE C C 9.329 -2.647 20.059 . . . 1.0 . . . . . . . . . . . . A . 30 PHE C . . . . . . . . . rr_2mc7 1 . 1 . 500 . 1 1 30 PHE CA C 7.953 -2.168 19.469 . . . 1.0 . . . . . . . . . . . . A . 30 PHE CA . . . . . . . . . rr_2mc7 1 . 1 . 501 . 1 1 30 PHE CB C 7.772 -2.685 18.105 . . . 1.0 . . . . . . . . . . . . A . 30 PHE CB . . . . . . . . . rr_2mc7 1 . 1 . 502 . 1 1 30 PHE CD1 C 5.155 -2.267 17.946 . . . 1.0 . . . . . . . . . . . . A . 30 PHE CD1 . . . . . . . . . rr_2mc7 1 . 1 . 503 . 1 1 30 PHE CD2 C 6.619 -1.261 16.303 . . . 1.0 . . . . . . . . . . . . A . 30 PHE CD2 . . . . . . . . . rr_2mc7 1 . 1 . 504 . 1 1 30 PHE CE1 C 4.029 -1.868 17.283 . . . 1.0 . . . . . . . . . . . . A . 30 PHE CE1 . . . . . . . . . rr_2mc7 1 . 1 . 505 . 1 1 30 PHE CE2 C 5.501 -0.847 15.574 . . . 1.0 . . . . . . . . . . . . A . 30 PHE CE2 . . . . . . . . . rr_2mc7 1 . 1 . 506 . 1 1 30 PHE CG C 6.490 -2.107 17.389 . . . 1.0 . . . . . . . . . . . . A . 30 PHE CG . . . . . . . . . rr_2mc7 1 . 1 . 507 . 1 1 30 PHE CZ C 4.167 -1.089 16.079 . . . 1.0 . . . . . . . . . . . . A . 30 PHE CZ . . . . . . . . . rr_2mc7 1 . 1 . 508 . 1 1 30 PHE H H 8.374 -0.313 18.652 . . . 1.0 . . . . . . . . . . . . A . 30 PHE H . . . . . . . . . rr_2mc7 1 . 1 . 509 . 1 1 30 PHE HA H 7.150 -2.584 20.059 . . . 1.0 . . . . . . . . . . . . A . 30 PHE HA . . . . . . . . . rr_2mc7 1 . 1 . 510 . 1 1 30 PHE HB2 H 8.617 -2.419 17.434 . . . 1.0 . . . . . . . . . . . . A . 30 PHE HB2 . . . . . . . . . rr_2mc7 1 . 1 . 511 . 1 1 30 PHE HB3 H 7.738 -3.789 18.221 . . . 1.0 . . . . . . . . . . . . A . 30 PHE HB3 . . . . . . . . . rr_2mc7 1 . 1 . 512 . 1 1 30 PHE HD1 H 5.005 -2.787 18.880 . . . 1.0 . . . . . . . . . . . . A . 30 PHE HD1 . . . . . . . . . rr_2mc7 1 . 1 . 513 . 1 1 30 PHE HD2 H 7.529 -1.136 15.736 . . . 1.0 . . . . . . . . . . . . A . 30 PHE HD2 . . . . . . . . . rr_2mc7 1 . 1 . 514 . 1 1 30 PHE HE1 H 3.042 -2.050 17.682 . . . 1.0 . . . . . . . . . . . . A . 30 PHE HE1 . . . . . . . . . rr_2mc7 1 . 1 . 515 . 1 1 30 PHE HE2 H 5.564 -0.210 14.705 . . . 1.0 . . . . . . . . . . . . A . 30 PHE HE2 . . . . . . . . . rr_2mc7 1 . 1 . 516 . 1 1 30 PHE HZ H 3.315 -0.814 15.475 . . . 1.0 . . . . . . . . . . . . A . 30 PHE HZ . . . . . . . . . rr_2mc7 1 . 1 . 517 . 1 1 30 PHE N N 7.898 -0.756 19.408 . . . 1.0 . . . . . . . . . . . . A . 30 PHE N . . . . . . . . . rr_2mc7 1 . 1 . 518 . 1 1 30 PHE O O 9.306 -2.994 21.212 . . . 1.0 . . . . . . . . . . . . A . 30 PHE O . . . . . . . . . rr_2mc7 1 . 1 . 519 . 1 1 30 PHE OXT O 10.382 -2.713 19.378 . . . 1.0 . . . . . . . . . . . . A . 30 PHE OXT . . . . . . . . . rr_2mc7 1 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_framecode global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_2mc7 _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 2mc7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mc7 1 1 2mc7.mr . . n/a 2 "chemical shift" "Not applicable" "Not applicable" 0 rr_2mc7 1 1 2mc7.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 0 rr_2mc7 1 1 2mc7.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mc7 1 stop_ save_ save_constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Entry_ID rr_2mc7 _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 2mc7.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mc7 1 1 2mc7.mr . . n/a 2 "chemical shift" "Not applicable" "Not applicable" 0 rr_2mc7 1 1 2mc7.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 0 rr_2mc7 1 1 2mc7.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mc7 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_2mc7 _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 MEMBRANE PROTEIN 15-AUG-13 2MC7 *TITLE STRUCTURE OF SALMONELLA MGTR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: REGULATORY PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; *SOURCE 4 ORGANISM_TAXID: 90371 *KEYWDS TRANSMEMBRANE HELICAL COMPLEX, MEMBRANE PROTEIN *EXPDTA SOLID-STATE NMR *NUMMDL 1 *AUTHOR F.JEAN-FRANCOIS, J.DAI, L.YU, A.MYRICK, E.RUBIN, P.FAJER, L.SONG, *AUTHOR 2 H.ZHOU, T.CROSS *REVDAT 1 30-OCT-13 2MC7 0" save_
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