NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
618006 | 5tbq | 30178 | cing | 4-filtered-FRED | STAR | entry | full | 163 |
data_FRED_restraints_with_modified_coordinates_PDB_code_5tbq # This FRED archive file contains, for PDB entry <5tbq>: # # - 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 and the filtering process # used in creating these files, the NMR restraints information in these files # may differ significantly from that in the originally deposited file. Other # 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_Conversion_project_for_entry_Name_1 _Study_list.Sf_category study_list _Study_list.Entry_ID 1 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project for entry 1" NMR . 1 1 stop_ save_ save_originalConstraints_1 _Entry.PDB_coordinate_file_version . _Entry.Sf_category entry_information _Entry.ID 1 _Entry.Title "Data for entry 1" _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Details . save_ save_assembly_5tbq _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 5tbq _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "not present" _Assembly.Molecular_mass 2280.18 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 . 1 $Conantokin A . 1 1 stop_ save_ save_Conantokin _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name Conantokin _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code GEXXLAXKAXFARXLANYX _Entity.Number_of_monomers 19 loop_ _Entity_comp_index.ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 GLY . 1 1 2 GLU . 1 1 3 CGU $CGU 1 1 4 CGU $CGU 1 1 5 LEU . 1 1 6 ALA . 1 1 7 CGU $CGU 1 1 8 LYS . 1 1 9 ALA . 1 1 10 CGU $CGU 1 1 11 PHE . 1 1 12 ALA . 1 1 13 ARG . 1 1 14 CGU $CGU 1 1 15 LEU . 1 1 16 ALA . 1 1 17 ASN . 1 1 18 TYR . 1 1 19 NH2 $NH2 1 1 stop_ loop_ _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 1 1 GLU 2 2 1 1 CGU 3 3 1 1 CGU 4 4 1 1 LEU 5 5 1 1 ALA 6 6 1 1 CGU 7 7 1 1 LYS 8 8 1 1 ALA 9 9 1 1 CGU 10 10 1 1 PHE 11 11 1 1 ALA 12 12 1 1 ARG 13 13 1 1 CGU 14 14 1 1 LEU 15 15 1 1 ALA 16 16 1 1 ASN 17 17 1 1 TYR 18 18 1 1 NH2 19 19 1 1 stop_ save_ save_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID NH2 _Chem_comp.Type non-polymer save_ save_CGU _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID CGU _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_3_1 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID 1 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID . _Distance_constraint_list.Block_ID . loop_ _Dist_constraint_tree.Constraint_ID _Dist_constraint_tree.Node_ID _Dist_constraint_tree.Down_node_ID _Dist_constraint_tree.Right_node_ID _Dist_constraint_tree.Logic_operation _Dist_constraint_tree.Entry_ID _Dist_constraint_tree.Distance_constraint_list_ID 1 1 . . . 1 1 2 1 . . . 1 1 3 1 . . . 1 1 4 1 . . . 1 1 5 1 . . . 1 1 6 1 . . . 1 1 7 1 . . . 1 1 8 1 . . . 1 1 9 1 . . . 1 1 10 1 . . . 1 1 11 1 . . . 1 1 12 1 . . . 1 1 13 1 . . . 1 1 14 1 . . . 1 1 15 1 . . . 1 1 16 1 . . . 1 1 17 1 . . . 1 1 18 1 . . . 1 1 19 1 . . . 1 1 20 1 . . . 1 1 21 1 . . . 1 1 22 1 . . . 1 1 23 1 . . . 1 1 24 1 . . . 1 1 25 1 . . . 1 1 26 1 . . . 1 1 27 1 . . . 1 1 28 1 . . . 1 1 29 1 . . . 1 1 30 1 . . . 1 1 31 1 . . . 1 1 32 1 . . . 1 1 33 1 . . . 1 1 34 1 . . . 1 1 35 1 . . . 1 1 36 1 . . . 1 1 37 1 . . . 1 1 38 1 . . . 1 1 39 1 . . . 1 1 40 1 . . . 1 1 41 1 . . . 1 1 42 1 . . . 1 1 43 1 . . . 1 1 44 1 . . . 1 1 45 1 . . . 1 1 46 1 . . . 1 1 47 1 . . . 1 1 48 1 . . . 1 1 49 1 . . . 1 1 50 1 . . . 1 1 51 1 . . . 1 1 52 1 . . . 1 1 53 1 . . . 1 1 54 1 . . . 1 1 55 1 . . . 1 1 56 1 . . . 1 1 57 1 . . . 1 1 58 1 . . . 1 1 59 1 . . . 1 1 60 1 . . . 1 1 61 1 . . . 1 1 62 1 . . . 1 1 63 1 . . . 1 1 64 1 . . . 1 1 65 1 . . . 1 1 66 1 . . . 1 1 67 1 . . . 1 1 68 1 . . . 1 1 69 1 . . . 1 1 70 1 . . . 1 1 71 1 . . . 1 1 72 1 . . . 1 1 73 1 . . . 1 1 74 1 . . . 1 1 75 1 . . . 1 1 76 1 . . . 1 1 77 1 . . . 1 1 78 1 . . . 1 1 79 1 . . . 1 1 80 1 . . . 1 1 81 1 . . . 1 1 82 1 . . . 1 1 83 1 . . . 1 1 84 1 . . . 1 1 85 1 . . . 1 1 86 1 . . . 1 1 87 1 . . . 1 1 88 1 . . . 1 1 89 1 . . . 1 1 90 1 . . . 1 1 91 1 . . . 1 1 92 1 . . . 1 1 93 1 . . . 1 1 94 1 . . . 1 1 95 1 . . . 1 1 96 1 . . . 1 1 97 1 . . . 1 1 98 1 . . . 1 1 99 1 . . . 1 1 100 1 . . . 1 1 101 1 . . . 1 1 102 1 . . . 1 1 103 1 . . . 1 1 104 1 . . . 1 1 105 1 . . . 1 1 106 1 . . . 1 1 107 1 . . . 1 1 108 1 . . . 1 1 109 1 . . . 1 1 110 1 . . . 1 1 111 1 . . . 1 1 112 1 . . . 1 1 113 1 . . . 1 1 114 1 . . . 1 1 115 1 . . . 1 1 116 1 . . . 1 1 117 1 . . . 1 1 118 1 . . . 1 1 119 1 . . . 1 1 120 1 . . . 1 1 121 1 . . . 1 1 122 1 . . . 1 1 123 1 . . . 1 1 124 1 . . . 1 1 125 1 . . . 1 1 126 1 . . . 1 1 127 1 . . . 1 1 128 1 . . . 1 1 129 1 . . . 1 1 130 1 . . . 1 1 131 1 . . . 1 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 1 1 2 GLU HA . 2 . HA 1 1 1 1 2 1 1 5 LEU MD2 . 5 . HD1# 1 1 2 1 1 1 1 3 CGU HA . 3 . HA 1 1 2 1 2 1 1 3 CGU HB2 . 3 . HB2 1 1 3 1 1 1 1 3 CGU HA . 3 . HA 1 1 3 1 2 1 1 6 ALA H . 6 . HN 1 1 4 1 1 1 1 3 CGU HA . 3 . HA 1 1 4 1 2 1 1 6 ALA MB . 6 . HB# 1 1 5 1 1 1 1 3 CGU HB2 . 3 . HB2 1 1 5 1 2 1 1 3 CGU HG . 3 . HG 1 1 6 1 1 1 1 3 CGU HG . 3 . HG 1 1 6 1 2 1 1 4 CGU HA . 4 . HA 1 1 7 1 1 1 1 3 CGU HG . 3 . HG 1 1 7 1 2 1 1 7 CGU HG . 7 . HG 1 1 8 1 1 1 1 4 CGU HA . 4 . HA 1 1 8 1 2 1 1 4 CGU HB2 . 4 . HB2 1 1 9 1 1 1 1 4 CGU HA . 4 . HA 1 1 9 1 2 1 1 4 CGU HG . 4 . HG 1 1 10 1 1 1 1 4 CGU HA . 4 . HA 1 1 10 1 2 1 1 5 LEU H . 5 . HN 1 1 11 1 1 1 1 4 CGU HA . 4 . HA 1 1 11 1 2 1 1 6 ALA H . 6 . HN 1 1 12 1 1 1 1 4 CGU HA . 4 . HA 1 1 12 1 2 1 1 8 LYS H . 8 . HN 1 1 13 1 1 1 1 4 CGU HB2 . 4 . HB2 1 1 13 1 2 1 1 5 LEU H . 5 . HN 1 1 14 1 1 1 1 5 LEU H . 5 . HN 1 1 14 1 2 1 1 5 LEU HA . 5 . HA 1 1 15 1 1 1 1 5 LEU H . 5 . HN 1 1 15 1 2 1 1 5 LEU HB2 . 5 . HB2 1 1 16 1 1 1 1 5 LEU H . 5 . HN 1 1 16 1 2 1 1 5 LEU HB3 . 5 . HB1 1 1 17 1 1 1 1 5 LEU H . 5 . HN 1 1 17 1 2 1 1 5 LEU MD2 . 5 . HD1# 1 1 18 1 1 1 1 5 LEU H . 5 . HN 1 1 18 1 2 1 1 5 LEU HG . 5 . HG 1 1 19 1 1 1 1 5 LEU H . 5 . HN 1 1 19 1 2 1 1 6 ALA H . 6 . HN 1 1 20 1 1 1 1 5 LEU HA . 5 . HA 1 1 20 1 2 1 1 5 LEU HB3 . 5 . HB1 1 1 21 1 1 1 1 5 LEU HA . 5 . HA 1 1 21 1 2 1 1 5 LEU MD2 . 5 . HD1# 1 1 22 1 1 1 1 5 LEU HA . 5 . HA 1 1 22 1 2 1 1 6 ALA H . 6 . HN 1 1 23 1 1 1 1 5 LEU HA . 5 . HA 1 1 23 1 2 1 1 8 LYS H . 8 . HN 1 1 24 1 1 1 1 5 LEU HA . 5 . HA 1 1 24 1 2 1 1 9 ALA H . 9 . HN 1 1 25 1 1 1 1 5 LEU HB2 . 5 . HB2 1 1 25 1 2 1 1 5 LEU MD2 . 5 . HD1# 1 1 26 1 1 1 1 5 LEU HB2 . 5 . HB2 1 1 26 1 2 1 1 6 ALA H . 6 . HN 1 1 27 1 1 1 1 5 LEU HB3 . 5 . HB1 1 1 27 1 2 1 1 5 LEU MD2 . 5 . HD1# 1 1 28 1 1 1 1 6 ALA H . 6 . HN 1 1 28 1 2 1 1 6 ALA HA . 6 . HA 1 1 29 1 1 1 1 6 ALA H . 6 . HN 1 1 29 1 2 1 1 6 ALA MB . 6 . HB# 1 1 30 1 1 1 1 6 ALA H . 6 . HN 1 1 30 1 2 1 1 9 ALA H . 9 . HN 1 1 31 1 1 1 1 7 CGU HA . 7 . HA 1 1 31 1 2 1 1 7 CGU HB2 . 7 . HB2 1 1 32 1 1 1 1 7 CGU HA . 7 . HA 1 1 32 1 2 1 1 7 CGU HG . 7 . HG 1 1 33 1 1 1 1 7 CGU HA . 7 . HA 1 1 33 1 2 1 1 8 LYS H . 8 . HN 1 1 34 1 1 1 1 7 CGU HA . 7 . HA 1 1 34 1 2 1 1 11 PHE H . 11 . HN 1 1 35 1 1 1 1 7 CGU HB2 . 7 . HB2 1 1 35 1 2 1 1 7 CGU HG . 7 . HG 1 1 36 1 1 1 1 7 CGU HB2 . 7 . HB2 1 1 36 1 2 1 1 8 LYS H . 8 . HN 1 1 37 1 1 1 1 8 LYS H . 8 . HN 1 1 37 1 2 1 1 8 LYS HA . 8 . HA 1 1 38 1 1 1 1 8 LYS H . 8 . HN 1 1 38 1 2 1 1 8 LYS QB . 8 . HB# 1 1 39 1 1 1 1 8 LYS H . 8 . HN 1 1 39 1 2 1 1 8 LYS HD2 . 8 . HD2 1 1 40 1 1 1 1 8 LYS H . 8 . HN 1 1 40 1 2 1 1 9 ALA H . 9 . HN 1 1 41 1 1 1 1 8 LYS HA . 8 . HA 1 1 41 1 2 1 1 8 LYS QB . 8 . HB# 1 1 42 1 1 1 1 8 LYS HA . 8 . HA 1 1 42 1 2 1 1 8 LYS HD2 . 8 . HD2 1 1 43 1 1 1 1 8 LYS HA . 8 . HA 1 1 43 1 2 1 1 9 ALA H . 9 . HN 1 1 44 1 1 1 1 8 LYS HA . 8 . HA 1 1 44 1 2 1 1 11 PHE H . 11 . HN 1 1 45 1 1 1 1 8 LYS HA . 8 . HA 1 1 45 1 2 1 1 11 PHE HB2 . 11 . HB2 1 1 46 1 1 1 1 8 LYS HA . 8 . HA 1 1 46 1 2 1 1 11 PHE HB3 . 11 . HB1 1 1 47 1 1 1 1 8 LYS HA . 8 . HA 1 1 47 1 2 1 1 11 PHE QD . 11 . HD# 1 1 48 1 1 1 1 8 LYS HA . 8 . HA 1 1 48 1 2 1 1 12 ALA H . 12 . HN 1 1 49 1 1 1 1 8 LYS QB . 8 . HB# 1 1 49 1 2 1 1 8 LYS HD2 . 8 . HD2 1 1 50 1 1 1 1 8 LYS QB . 8 . HB# 1 1 50 1 2 1 1 9 ALA H . 9 . HN 1 1 51 1 1 1 1 8 LYS QB . 8 . HB# 1 1 51 1 2 1 1 11 PHE H . 11 . HN 1 1 52 1 1 1 1 8 LYS QB . 8 . HB# 1 1 52 1 2 1 1 11 PHE QD . 11 . HD# 1 1 53 1 1 1 1 8 LYS QG . 8 . HG# 1 1 53 1 2 1 1 11 PHE QD . 11 . HD# 1 1 54 1 1 1 1 9 ALA H . 9 . HN 1 1 54 1 2 1 1 9 ALA HA . 9 . HA 1 1 55 1 1 1 1 9 ALA H . 9 . HN 1 1 55 1 2 1 1 9 ALA MB . 9 . HB# 1 1 56 1 1 1 1 9 ALA H . 9 . HN 1 1 56 1 2 1 1 12 ALA H . 12 . HN 1 1 57 1 1 1 1 9 ALA HA . 9 . HA 1 1 57 1 2 1 1 12 ALA H . 12 . HN 1 1 58 1 1 1 1 9 ALA HA . 9 . HA 1 1 58 1 2 1 1 13 ARG H . 13 . HN 1 1 59 1 1 1 1 10 CGU HA . 10 . HA 1 1 59 1 2 1 1 11 PHE H . 11 . HN 1 1 60 1 1 1 1 10 CGU HA . 10 . HA 1 1 60 1 2 1 1 13 ARG H . 13 . HN 1 1 61 1 1 1 1 10 CGU HB2 . 10 . HB2 1 1 61 1 2 1 1 11 PHE H . 11 . HN 1 1 62 1 1 1 1 10 CGU HG . 10 . HG 1 1 62 1 2 1 1 11 PHE H . 11 . HN 1 1 63 1 1 1 1 10 CGU HG . 10 . HG 1 1 63 1 2 1 1 11 PHE HA . 11 . HA 1 1 64 1 1 1 1 10 CGU HG . 10 . HG 1 1 64 1 2 1 1 13 ARG H . 13 . HN 1 1 65 1 1 1 1 11 PHE H . 11 . HN 1 1 65 1 2 1 1 11 PHE HA . 11 . HA 1 1 66 1 1 1 1 11 PHE H . 11 . HN 1 1 66 1 2 1 1 11 PHE HB2 . 11 . HB2 1 1 67 1 1 1 1 11 PHE H . 11 . HN 1 1 67 1 2 1 1 11 PHE HB3 . 11 . HB1 1 1 68 1 1 1 1 11 PHE H . 11 . HN 1 1 68 1 2 1 1 11 PHE QD . 11 . HD# 1 1 69 1 1 1 1 11 PHE H . 11 . HN 1 1 69 1 2 1 1 12 ALA H . 12 . HN 1 1 70 1 1 1 1 11 PHE H . 11 . HN 1 1 70 1 2 1 1 13 ARG H . 13 . HN 1 1 71 1 1 1 1 11 PHE HA . 11 . HA 1 1 71 1 2 1 1 11 PHE HB2 . 11 . HB2 1 1 72 1 1 1 1 11 PHE HA . 11 . HA 1 1 72 1 2 1 1 11 PHE HB3 . 11 . HB1 1 1 73 1 1 1 1 11 PHE HA . 11 . HA 1 1 73 1 2 1 1 11 PHE QD . 11 . HD# 1 1 74 1 1 1 1 11 PHE HA . 11 . HA 1 1 74 1 2 1 1 12 ALA H . 12 . HN 1 1 75 1 1 1 1 11 PHE HA . 11 . HA 1 1 75 1 2 1 1 14 CGU HB2 . 14 . HB2 1 1 76 1 1 1 1 11 PHE HA . 11 . HA 1 1 76 1 2 1 1 15 LEU H . 15 . HN 1 1 77 1 1 1 1 11 PHE HB2 . 11 . HB2 1 1 77 1 2 1 1 11 PHE QD . 11 . HD# 1 1 78 1 1 1 1 11 PHE HB2 . 11 . HB2 1 1 78 1 2 1 1 12 ALA H . 12 . HN 1 1 79 1 1 1 1 11 PHE HB3 . 11 . HB1 1 1 79 1 2 1 1 11 PHE QD . 11 . HD# 1 1 80 1 1 1 1 11 PHE HB3 . 11 . HB1 1 1 80 1 2 1 1 12 ALA H . 12 . HN 1 1 81 1 1 1 1 11 PHE QD . 11 . HD# 1 1 81 1 2 1 1 12 ALA HA . 12 . HA 1 1 82 1 1 1 1 11 PHE QD . 11 . HD# 1 1 82 1 2 1 1 15 LEU QB . 15 . HB# 1 1 83 1 1 1 1 11 PHE QD . 11 . HD# 1 1 83 1 2 1 1 15 LEU QD . 15 . HD1# 1 1 84 1 1 1 1 12 ALA H . 12 . HN 1 1 84 1 2 1 1 12 ALA HA . 12 . HA 1 1 85 1 1 1 1 12 ALA H . 12 . HN 1 1 85 1 2 1 1 12 ALA MB . 12 . HB# 1 1 86 1 1 1 1 13 ARG H . 13 . HN 1 1 86 1 2 1 1 13 ARG HA . 13 . HA 1 1 87 1 1 1 1 13 ARG H . 13 . HN 1 1 87 1 2 1 1 13 ARG QB . 13 . HB# 1 1 88 1 1 1 1 13 ARG H . 13 . HN 1 1 88 1 2 1 1 13 ARG HG2 . 13 . HG2 1 1 89 1 1 1 1 13 ARG HA . 13 . HA 1 1 89 1 2 1 1 13 ARG QB . 13 . HB# 1 1 90 1 1 1 1 13 ARG HA . 13 . HA 1 1 90 1 2 1 1 13 ARG HG2 . 13 . HG2 1 1 91 1 1 1 1 13 ARG HA . 13 . HA 1 1 91 1 2 1 1 16 ALA H . 16 . HN 1 1 92 1 1 1 1 13 ARG HA . 13 . HA 1 1 92 1 2 1 1 16 ALA MB . 16 . HB# 1 1 93 1 1 1 1 13 ARG QD . 13 . HD# 1 1 93 1 2 1 1 13 ARG HG2 . 13 . HG2 1 1 94 1 1 1 1 14 CGU HA . 14 . HA 1 1 94 1 2 1 1 14 CGU HB2 . 14 . HB2 1 1 95 1 1 1 1 14 CGU HA . 14 . HA 1 1 95 1 2 1 1 14 CGU HG . 14 . HG 1 1 96 1 1 1 1 14 CGU HA . 14 . HA 1 1 96 1 2 1 1 17 ASN H . 17 . HN 1 1 97 1 1 1 1 14 CGU HA . 14 . HA 1 1 97 1 2 1 1 17 ASN HB3 . 17 . HB1 1 1 98 1 1 1 1 14 CGU HB2 . 14 . HB2 1 1 98 1 2 1 1 14 CGU HG . 14 . HG 1 1 99 1 1 1 1 14 CGU HB2 . 14 . HB2 1 1 99 1 2 1 1 15 LEU H . 15 . HN 1 1 100 1 1 1 1 15 LEU H . 15 . HN 1 1 100 1 2 1 1 15 LEU HA . 15 . HA 1 1 101 1 1 1 1 15 LEU H . 15 . HN 1 1 101 1 2 1 1 15 LEU QB . 15 . HB# 1 1 102 1 1 1 1 15 LEU H . 15 . HN 1 1 102 1 2 1 1 15 LEU QD . 15 . HD1# 1 1 103 1 1 1 1 15 LEU H . 15 . HN 1 1 103 1 2 1 1 15 LEU HG . 15 . HG 1 1 104 1 1 1 1 15 LEU H . 15 . HN 1 1 104 1 2 1 1 16 ALA H . 16 . HN 1 1 105 1 1 1 1 15 LEU HA . 15 . HA 1 1 105 1 2 1 1 15 LEU QD . 15 . HD1# 1 1 106 1 1 1 1 15 LEU HA . 15 . HA 1 1 106 1 2 1 1 15 LEU HG . 15 . HG 1 1 107 1 1 1 1 15 LEU HA . 15 . HA 1 1 107 1 2 1 1 16 ALA H . 16 . HN 1 1 108 1 1 1 1 15 LEU HA . 15 . HA 1 1 108 1 2 1 1 18 TYR H . 18 . HN 1 1 109 1 1 1 1 15 LEU HA . 15 . HA 1 1 109 1 2 1 1 18 TYR HB2 . 18 . HB2 1 1 110 1 1 1 1 15 LEU HA . 15 . HA 1 1 110 1 2 1 1 18 TYR HB3 . 18 . HB1 1 1 111 1 1 1 1 15 LEU HA . 15 . HA 1 1 111 1 2 1 1 18 TYR QD . 18 . HD# 1 1 112 1 1 1 1 16 ALA H . 16 . HN 1 1 112 1 2 1 1 16 ALA HA . 16 . HA 1 1 113 1 1 1 1 16 ALA H . 16 . HN 1 1 113 1 2 1 1 16 ALA MB . 16 . HB# 1 1 114 1 1 1 1 16 ALA HA . 16 . HA 1 1 114 1 2 1 1 17 ASN H . 17 . HN 1 1 115 1 1 1 1 16 ALA HA . 16 . HA 1 1 115 1 2 1 1 18 TYR H . 18 . HN 1 1 116 1 1 1 1 16 ALA MB . 16 . HB# 1 1 116 1 2 1 1 17 ASN H . 17 . HN 1 1 117 1 1 1 1 17 ASN H . 17 . HN 1 1 117 1 2 1 1 17 ASN HA . 17 . HA 1 1 118 1 1 1 1 17 ASN H . 17 . HN 1 1 118 1 2 1 1 17 ASN HB2 . 17 . HB2 1 1 119 1 1 1 1 17 ASN H . 17 . HN 1 1 119 1 2 1 1 17 ASN HB3 . 17 . HB1 1 1 120 1 1 1 1 17 ASN HA . 17 . HA 1 1 120 1 2 1 1 18 TYR H . 18 . HN 1 1 121 1 1 1 1 17 ASN HB2 . 17 . HB2 1 1 121 1 2 1 1 18 TYR H . 18 . HN 1 1 122 1 1 1 1 17 ASN HB3 . 17 . HB1 1 1 122 1 2 1 1 17 ASN HD21 . 17 . HD21 1 1 123 1 1 1 1 17 ASN HB3 . 17 . HB1 1 1 123 1 2 1 1 18 TYR H . 18 . HN 1 1 124 1 1 1 1 18 TYR H . 18 . HN 1 1 124 1 2 1 1 18 TYR HA . 18 . HA 1 1 125 1 1 1 1 18 TYR H . 18 . HN 1 1 125 1 2 1 1 18 TYR HB2 . 18 . HB2 1 1 126 1 1 1 1 18 TYR H . 18 . HN 1 1 126 1 2 1 1 18 TYR HB3 . 18 . HB1 1 1 127 1 1 1 1 18 TYR H . 18 . HN 1 1 127 1 2 1 1 18 TYR QD . 18 . HD# 1 1 128 1 1 1 1 18 TYR HA . 18 . HA 1 1 128 1 2 1 1 18 TYR HB3 . 18 . HB1 1 1 129 1 1 1 1 18 TYR HA . 18 . HA 1 1 129 1 2 1 1 18 TYR QD . 18 . HD# 1 1 130 1 1 1 1 18 TYR HB2 . 18 . HB2 1 1 130 1 2 1 1 18 TYR QD . 18 . HD# 1 1 131 1 1 1 1 18 TYR HB3 . 18 . HB1 1 1 131 1 2 1 1 18 TYR QD . 18 . HD# 1 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.5 2.8 5.0 1 1 2 1 . . . . . 3.5 2.8 4.5 1 1 3 1 . . . . . 3.5 2.8 4.0 1 1 4 1 . . . . . 3.5 2.8 4.5 1 1 5 1 . . . . . 3.5 2.8 4.5 1 1 6 1 . . . . . 4.5 1.8 5.5 1 1 7 1 . . . . . 3.5 2.8 5.0 1 1 8 1 . . . . . 2.5 1.8 3.5 1 1 9 1 . . . . . 2.5 1.8 3.0 1 1 10 1 . . . . . 3.5 2.8 4.0 1 1 11 1 . . . . . 4.5 3.8 5.0 1 1 12 1 . . . . . 4.5 3.8 5.0 1 1 13 1 . . . . . 2.5 1.8 3.5 1 1 14 1 . . . . . 2.5 1.8 3.0 1 1 15 1 . . . . . 2.5 1.8 3.5 1 1 16 1 . . . . . 2.5 1.8 3.5 1 1 17 1 . . . . . 3.5 2.8 4.5 1 1 18 1 . . . . . 3.0 2.3 3.5 1 1 19 1 . . . . . 2.5 1.8 3.0 1 1 20 1 . . . . . 2.5 1.8 3.5 1 1 21 1 . . . . . 2.5 1.8 4.0 1 1 22 1 . . . . . 3.5 2.8 4.0 1 1 23 1 . . . . . 3.5 2.8 4.0 1 1 24 1 . . . . . 4.5 1.8 5.5 1 1 25 1 . . . . . 3.5 2.8 5.0 1 1 26 1 . . . . . 2.5 1.8 3.5 1 1 27 1 . . . . . 2.5 1.8 4.0 1 1 28 1 . . . . . 2.5 1.8 3.0 1 1 29 1 . . . . . 2.5 1.8 3.5 1 1 30 1 . . . . . 4.5 1.8 5.5 1 1 31 1 . . . . . 3.5 2.8 4.5 1 1 32 1 . . . . . 3.5 2.8 4.0 1 1 33 1 . . . . . 3.5 2.8 4.0 1 1 34 1 . . . . . 4.5 3.8 5.0 1 1 35 1 . . . . . 3.5 2.8 4.5 1 1 36 1 . . . . . 2.5 1.8 3.5 1 1 37 1 . . . . . 2.5 1.8 3.0 1 1 38 1 . . . . . 2.5 1.8 3.5 1 1 39 1 . . . . . 3.5 2.8 4.5 1 1 40 1 . . . . . 2.5 1.8 3.0 1 1 41 1 . . . . . 2.5 1.8 3.5 1 1 42 1 . . . . . 3.5 2.8 4.5 1 1 43 1 . . . . . 3.5 2.8 4.0 1 1 44 1 . . . . . 3.5 2.8 4.0 1 1 45 1 . . . . . 3.5 2.8 4.5 1 1 46 1 . . . . . 3.5 2.8 4.5 1 1 47 1 . . . . . 3.5 2.8 4.0 1 1 48 1 . . . . . 4.5 1.8 5.5 1 1 49 1 . . . . . 2.5 1.8 4.0 1 1 50 1 . . . . . 2.5 1.8 3.5 1 1 51 1 . . . . . 4.5 1.8 5.5 1 1 52 1 . . . . . 4.0 3.3 5.5 1 1 53 1 . . . . . 4.0 3.3 5.5 1 1 54 1 . . . . . 2.5 1.8 3.0 1 1 55 1 . . . . . 2.5 1.8 3.5 1 1 56 1 . . . . . 3.5 2.8 5.0 1 1 57 1 . . . . . 3.5 2.8 4.0 1 1 58 1 . . . . . 4.5 1.8 5.5 1 1 59 1 . . . . . 3.5 2.8 4.0 1 1 60 1 . . . . . 3.5 2.8 4.0 1 1 61 1 . . . . . 3.5 2.8 4.5 1 1 62 1 . . . . . 3.5 2.8 4.0 1 1 63 1 . . . . . 3.5 2.8 4.0 1 1 64 1 . . . . . 3.5 2.8 4.5 1 1 65 1 . . . . . 2.5 1.8 3.0 1 1 66 1 . . . . . 2.5 1.8 3.5 1 1 67 1 . . . . . 2.5 1.8 3.5 1 1 68 1 . . . . . 4.5 1.8 5.5 1 1 69 1 . . . . . 2.5 1.8 3.0 1 1 70 1 . . . . . 4.5 1.8 5.5 1 1 71 1 . . . . . 2.5 1.8 3.5 1 1 72 1 . . . . . 2.5 1.8 3.5 1 1 73 1 . . . . . 2.5 1.8 3.0 1 1 74 1 . . . . . 3.5 2.8 4.0 1 1 75 1 . . . . . 3.5 2.8 4.5 1 1 76 1 . . . . . 4.5 1.8 5.5 1 1 77 1 . . . . . 2.5 1.8 3.5 1 1 78 1 . . . . . 3.5 2.8 4.5 1 1 79 1 . . . . . 2.5 1.8 3.5 1 1 80 1 . . . . . 3.5 2.8 4.5 1 1 81 1 . . . . . 3.5 2.8 4.0 1 1 82 1 . . . . . 2.5 1.8 4.0 1 1 83 1 . . . . . 2.5 1.8 4.0 1 1 84 1 . . . . . 2.5 1.8 3.0 1 1 85 1 . . . . . 2.5 1.8 3.0 1 1 86 1 . . . . . 2.5 1.8 3.0 1 1 87 1 . . . . . 2.5 1.8 3.0 1 1 88 1 . . . . . 3.5 2.8 4.5 1 1 89 1 . . . . . 2.5 1.8 3.0 1 1 90 1 . . . . . 2.5 1.8 3.0 1 1 91 1 . . . . . 3.5 2.8 4.0 1 1 92 1 . . . . . 3.5 2.8 5.0 1 1 93 1 . . . . . 2.5 1.8 3.0 1 1 94 1 . . . . . 2.5 1.8 3.5 1 1 95 1 . . . . . 2.5 1.8 3.0 1 1 96 1 . . . . . 3.5 2.8 4.0 1 1 97 1 . . . . . 4.5 1.8 5.5 1 1 98 1 . . . . . 3.5 2.8 4.5 1 1 99 1 . . . . . 3.5 2.8 4.5 1 1 100 1 . . . . . 2.5 1.8 3.0 1 1 101 1 . . . . . 2.5 1.8 3.5 1 1 102 1 . . . . . 4.5 1.8 5.5 1 1 103 1 . . . . . 3.0 2.3 3.5 1 1 104 1 . . . . . 2.5 1.8 3.0 1 1 105 1 . . . . . . 2.8 4.0 1 1 106 1 . . . . . 3.0 2.3 3.5 1 1 107 1 . . . . . 3.5 2.8 4.0 1 1 108 1 . . . . . 3.5 2.8 4.0 1 1 109 1 . . . . . 4.5 1.8 5.5 1 1 110 1 . . . . . 4.5 1.8 5.5 1 1 111 1 . . . . . 3.5 2.8 4.0 1 1 112 1 . . . . . 2.5 1.8 3.0 1 1 113 1 . . . . . 2.5 1.8 3.5 1 1 114 1 . . . . . 3.5 2.8 4.0 1 1 115 1 . . . . . 4.5 1.8 5.5 1 1 116 1 . . . . . 2.5 1.8 3.5 1 1 117 1 . . . . . 2.5 1.8 3.0 1 1 118 1 . . . . . 3.5 2.8 4.5 1 1 119 1 . . . . . 2.5 1.8 3.5 1 1 120 1 . . . . . 3.5 2.8 4.0 1 1 121 1 . . . . . 4.5 1.8 5.5 1 1 122 1 . . . . . 3.5 2.8 4.5 1 1 123 1 . . . . . 3.5 2.8 4.5 1 1 124 1 . . . . . 2.5 1.8 3.0 1 1 125 1 . . . . . 2.5 1.8 3.5 1 1 126 1 . . . . . 2.5 1.8 3.5 1 1 127 1 . . . . . 4.5 1.8 5.5 1 1 128 1 . . . . . 2.5 1.8 3.5 1 1 129 1 . . . . . 3.5 2.8 4.0 1 1 130 1 . . . . . 3.0 2.3 4.5 1 1 131 1 . . . . . 3.0 2.3 4.5 1 1 stop_ save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID 1 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID . _Torsion_angle_constraint_list.Block_ID . loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Auth_asym_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_asym_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_asym_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_asym_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.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . 1 1 1 GLY C 1 1 2 GLU N 1 1 2 GLU CA 1 1 2 GLU C -79.4 -39.4 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1 2 . 1 1 2 GLU N 1 1 2 GLU CA 1 1 2 GLU C 1 1 3 CGU N -55.7 -15.699999 . 2 . N . 2 . CA . 2 . C . 3 . N 1 1 3 . 1 1 2 GLU C 1 1 3 CGU N 1 1 3 CGU CA 1 1 3 CGU C -85.9 -45.9 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 4 . 1 1 3 CGU N 1 1 3 CGU CA 1 1 3 CGU C 1 1 4 CGU N -57.699997 -17.7 . 3 . N . 3 . CA . 3 . C . 4 . N 1 1 5 . 1 1 3 CGU C 1 1 4 CGU N 1 1 4 CGU CA 1 1 4 CGU C -88.5 -48.5 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 6 . 1 1 4 CGU N 1 1 4 CGU CA 1 1 4 CGU C 1 1 5 LEU N -59.400005 -19.4 . 4 . N . 4 . CA . 4 . C . 5 . N 1 1 7 . 1 1 4 CGU C 1 1 5 LEU N 1 1 5 LEU CA 1 1 5 LEU C -85.5 -45.5 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1 8 . 1 1 5 LEU N 1 1 5 LEU CA 1 1 5 LEU C 1 1 6 ALA N -60.7 -20.7 . 5 . N . 5 . CA . 5 . C . 6 . N 1 1 9 . 1 1 5 LEU C 1 1 6 ALA N 1 1 6 ALA CA 1 1 6 ALA C -86.19999 -46.2 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1 10 . 1 1 6 ALA N 1 1 6 ALA CA 1 1 6 ALA C 1 1 7 CGU N -59.7 -19.7 . 6 . N . 6 . CA . 6 . C . 7 . N 1 1 11 . 1 1 6 ALA C 1 1 7 CGU N 1 1 7 CGU CA 1 1 7 CGU C -85.8 -45.8 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1 12 . 1 1 7 CGU N 1 1 7 CGU CA 1 1 7 CGU C 1 1 8 LYS N -58.6 -18.6 . 7 . N . 7 . CA . 7 . C . 8 . N 1 1 13 . 1 1 7 CGU C 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C -88.09999 -48.1 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1 14 . 1 1 8 LYS N 1 1 8 LYS CA 1 1 8 LYS C 1 1 9 ALA N -57.899998 -17.9 . 8 . N . 8 . CA . 8 . C . 9 . N 1 1 15 . 1 1 8 LYS C 1 1 9 ALA N 1 1 9 ALA CA 1 1 9 ALA C -87.0 -47.0 . 8 . C . 9 . N . 9 . CA . 9 . C 1 1 16 . 1 1 9 ALA N 1 1 9 ALA CA 1 1 9 ALA C 1 1 10 CGU N -58.0 -18.0 . 9 . N . 9 . CA . 9 . C . 10 . N 1 1 17 . 1 1 9 ALA C 1 1 10 CGU N 1 1 10 CGU CA 1 1 10 CGU C -87.49999 -47.5 . 9 . C . 10 . N . 10 . CA . 10 . C 1 1 18 . 1 1 10 CGU N 1 1 10 CGU CA 1 1 10 CGU C 1 1 11 PHE N -58.300003 -18.3 . 10 . N . 10 . CA . 10 . C . 11 . N 1 1 19 . 1 1 10 CGU C 1 1 11 PHE N 1 1 11 PHE CA 1 1 11 PHE C -83.8 -43.8 . 10 . C . 11 . N . 11 . CA . 11 . C 1 1 20 . 1 1 11 PHE N 1 1 11 PHE CA 1 1 11 PHE C 1 1 12 ALA N -63.2 -23.2 . 11 . N . 11 . CA . 11 . C . 12 . N 1 1 21 . 1 1 11 PHE C 1 1 12 ALA N 1 1 12 ALA CA 1 1 12 ALA C -85.299995 -45.3 . 11 . C . 12 . N . 12 . CA . 12 . C 1 1 22 . 1 1 12 ALA N 1 1 12 ALA CA 1 1 12 ALA C 1 1 13 ARG N -57.4 -17.4 . 12 . N . 12 . CA . 12 . C . 13 . N 1 1 23 . 1 1 12 ALA C 1 1 13 ARG N 1 1 13 ARG CA 1 1 13 ARG C -86.1 -46.099995 . 12 . C . 13 . N . 13 . CA . 13 . C 1 1 24 . 1 1 13 ARG N 1 1 13 ARG CA 1 1 13 ARG C 1 1 14 CGU N -62.4 -22.4 . 13 . N . 13 . CA . 13 . C . 14 . N 1 1 25 . 1 1 13 ARG C 1 1 14 CGU N 1 1 14 CGU CA 1 1 14 CGU C -88.2 -48.2 . 13 . C . 14 . N . 14 . CA . 14 . C 1 1 26 . 1 1 14 CGU N 1 1 14 CGU CA 1 1 14 CGU C 1 1 15 LEU N -58.6 -18.6 . 14 . N . 14 . CA . 14 . C . 15 . N 1 1 27 . 1 1 14 CGU C 1 1 15 LEU N 1 1 15 LEU CA 1 1 15 LEU C -86.5 -46.5 . 14 . C . 15 . N . 15 . CA . 15 . C 1 1 28 . 1 1 15 LEU N 1 1 15 LEU CA 1 1 15 LEU C 1 1 16 ALA N -55.0 -15.0 . 15 . N . 15 . CA . 15 . C . 16 . N 1 1 29 . 1 1 15 LEU C 1 1 16 ALA N 1 1 16 ALA CA 1 1 16 ALA C -87.4 -47.4 . 15 . C . 16 . N . 16 . CA . 16 . C 1 1 30 . 1 1 16 ALA N 1 1 16 ALA CA 1 1 16 ALA C 1 1 17 ASN N -47.999996 -8.0 . 16 . N . 16 . CA . 16 . C . 17 . N 1 1 31 . 1 1 16 ALA C 1 1 17 ASN N 1 1 17 ASN CA 1 1 17 ASN C -96.5 -56.5 . 16 . C . 17 . N . 17 . CA . 17 . C 1 1 32 . 1 1 17 ASN N 1 1 17 ASN CA 1 1 17 ASN C 1 1 18 TYR N -37.9 2.1 . 17 . N . 17 . CA . 17 . C . 18 . N 1 1 stop_ save_ save_conformer_family_coord_set_1 _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Entry_ID 1 _Conformer_family_coord_set.ID 1 loop_ _Atom_site.Model_ID _Atom_site.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.Occupancy _Atom_site.Uncertainty _Atom_site.PDBX_label_asym_ID _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.Entry_ID _Atom_site.Conformer_family_coord_set_ID 1 1 1 1 1 GLY C C 2.927 1.421 0.912 1.00 . A A . 1 GLY C 1 1 1 2 1 1 1 GLY CA C 1.748 2.343 0.587 1.00 . A A . 1 GLY CA 1 1 1 3 1 1 1 GLY H1 H 2.913 3.719 1.637 1.00 . A A . 1 GLY H1 1 1 1 4 1 1 1 GLY H2 H 1.268 4.133 1.548 1.00 . A A . 1 GLY H2 1 1 1 5 1 1 1 GLY H3 H 2.271 4.331 0.186 1.00 . A A . 1 GLY H3 1 1 1 6 1 1 1 GLY HA2 H 0.866 1.997 1.106 1.00 . A A . 1 GLY HA2 1 1 1 7 1 1 1 GLY HA3 H 1.567 2.331 -0.478 1.00 . A A . 1 GLY HA3 1 1 1 8 1 1 1 GLY N N 2.073 3.735 1.024 1.00 . A A . 1 GLY N 1 1 1 9 1 1 1 GLY O O 4.037 1.872 1.091 1.00 . A A . 1 GLY O 1 1 1 10 1 1 2 GLU C C 4.995 -0.596 0.371 1.00 . A A . 2 GLU C 1 1 1 11 1 1 2 GLU CA C 3.803 -0.819 1.317 1.00 . A A . 2 GLU CA 1 1 1 12 1 1 2 GLU CB C 3.284 -2.249 1.152 1.00 . A A . 2 GLU CB 1 1 1 13 1 1 2 GLU CD C 3.910 -4.665 1.262 1.00 . A A . 2 GLU CD 1 1 1 14 1 1 2 GLU CG C 4.360 -3.244 1.598 1.00 . A A . 2 GLU CG 1 1 1 15 1 1 2 GLU H H 1.786 -0.206 0.851 1.00 . A A . 2 GLU H 1 1 1 16 1 1 2 GLU HA H 4.123 -0.670 2.338 1.00 . A A . 2 GLU HA 1 1 1 17 1 1 2 GLU HB2 H 2.398 -2.383 1.757 1.00 . A A . 2 GLU HB2 1 1 1 18 1 1 2 GLU HB3 H 3.040 -2.428 0.115 1.00 . A A . 2 GLU HB3 1 1 1 19 1 1 2 GLU HG2 H 5.286 -3.031 1.083 1.00 . A A . 2 GLU HG2 1 1 1 20 1 1 2 GLU HG3 H 4.511 -3.160 2.663 1.00 . A A . 2 GLU HG3 1 1 1 21 1 1 2 GLU N N 2.694 0.137 0.995 1.00 . A A . 2 GLU N 1 1 1 22 1 1 2 GLU O O 6.120 -0.400 0.803 1.00 . A A . 2 GLU O 1 1 1 23 1 1 2 GLU OE1 O 4.010 -5.035 0.105 1.00 . A A . 2 GLU OE1 1 1 1 24 1 1 2 GLU OE2 O 3.469 -5.355 2.166 1.00 . A A . 2 GLU OE2 1 1 1 25 1 1 3 CGU C C 6.666 0.818 -1.532 1.00 . A A . 3 CGU C 1 1 1 26 1 1 3 CGU CA C 5.855 -0.430 -1.905 1.00 . A A . 3 CGU CA 1 1 1 27 1 1 3 CGU CB C 5.249 -0.246 -3.317 1.00 . A A . 3 CGU CB 1 1 1 28 1 1 3 CGU CD1 C 7.296 -1.232 -4.441 1.00 . A A . 3 CGU CD1 1 1 1 29 1 1 3 CGU CD2 C 5.811 0.283 -5.731 1.00 . A A . 3 CGU CD2 1 1 1 30 1 1 3 CGU CG C 6.379 -0.003 -4.333 1.00 . A A . 3 CGU CG 1 1 1 31 1 1 3 CGU H H 3.841 -0.796 -1.230 1.00 . A A . 3 CGU H 1 1 1 32 1 1 3 CGU HA H 6.513 -1.291 -1.888 1.00 . A A . 3 CGU HA 1 1 1 33 1 1 3 CGU HB2 H 4.593 0.614 -3.309 1.00 . A A . 3 CGU HB2 1 1 1 34 1 1 3 CGU HB3 H 4.677 -1.127 -3.607 1.00 . A A . 3 CGU HB3 1 1 1 35 1 1 3 CGU HG H 6.959 0.846 -4.012 1.00 . A A . 3 CGU HG 1 1 1 36 1 1 3 CGU N N 4.752 -0.631 -0.915 1.00 . A A . 3 CGU N 1 1 1 37 1 1 3 CGU O O 7.881 0.829 -1.628 1.00 . A A . 3 CGU O 1 1 1 38 1 1 3 CGU OE11 O 8.337 -1.107 -5.070 1.00 . A A . 3 CGU OE11 1 1 1 39 1 1 3 CGU OE12 O 6.946 -2.274 -3.914 1.00 . A A . 3 CGU OE12 1 1 1 40 1 1 3 CGU OE21 O 6.610 0.374 -6.656 1.00 . A A . 3 CGU OE21 1 1 1 41 1 1 3 CGU OE22 O 4.604 0.409 -5.860 1.00 . A A . 3 CGU OE22 1 1 1 42 1 1 4 CGU C C 7.719 2.783 0.405 1.00 . A A . 4 CGU C 1 1 1 43 1 1 4 CGU CA C 6.735 3.106 -0.717 1.00 . A A . 4 CGU CA 1 1 1 44 1 1 4 CGU CB C 5.730 4.152 -0.235 1.00 . A A . 4 CGU CB 1 1 1 45 1 1 4 CGU CD1 C 6.332 5.928 -1.916 1.00 . A A . 4 CGU CD1 1 1 1 46 1 1 4 CGU CD2 C 4.001 5.791 -0.999 1.00 . A A . 4 CGU CD2 1 1 1 47 1 1 4 CGU CG C 5.228 4.976 -1.427 1.00 . A A . 4 CGU CG 1 1 1 48 1 1 4 CGU H H 5.032 1.824 -1.025 1.00 . A A . 4 CGU H 1 1 1 49 1 1 4 CGU HA H 7.276 3.487 -1.572 1.00 . A A . 4 CGU HA 1 1 1 50 1 1 4 CGU HB2 H 6.206 4.808 0.478 1.00 . A A . 4 CGU HB2 1 1 1 51 1 1 4 CGU HB3 H 4.895 3.656 0.236 1.00 . A A . 4 CGU HB3 1 1 1 52 1 1 4 CGU HG H 4.949 4.311 -2.232 1.00 . A A . 4 CGU HG 1 1 1 53 1 1 4 CGU N N 6.007 1.862 -1.102 1.00 . A A . 4 CGU N 1 1 1 54 1 1 4 CGU O O 8.838 3.268 0.424 1.00 . A A . 4 CGU O 1 1 1 55 1 1 4 CGU OE11 O 6.319 6.262 -3.087 1.00 . A A . 4 CGU OE11 1 1 1 56 1 1 4 CGU OE12 O 7.177 6.301 -1.111 1.00 . A A . 4 CGU OE12 1 1 1 57 1 1 4 CGU OE21 O 4.107 7.003 -0.922 1.00 . A A . 4 CGU OE21 1 1 1 58 1 1 4 CGU OE22 O 2.972 5.180 -0.746 1.00 . A A . 4 CGU OE22 1 1 1 59 1 1 5 LEU C C 9.162 0.481 1.954 1.00 . A A . 5 LEU C 1 1 1 60 1 1 5 LEU CA C 8.212 1.572 2.448 1.00 . A A . 5 LEU CA 1 1 1 61 1 1 5 LEU CB C 7.376 1.040 3.616 1.00 . A A . 5 LEU CB 1 1 1 62 1 1 5 LEU CD1 C 5.406 2.591 3.824 1.00 . A A . 5 LEU CD1 1 1 1 63 1 1 5 LEU CD2 C 6.606 1.813 5.869 1.00 . A A . 5 LEU CD2 1 1 1 64 1 1 5 LEU CG C 6.773 2.213 4.401 1.00 . A A . 5 LEU CG 1 1 1 65 1 1 5 LEU H H 6.411 1.573 1.284 1.00 . A A . 5 LEU H 1 1 1 66 1 1 5 LEU HA H 8.783 2.431 2.769 1.00 . A A . 5 LEU HA 1 1 1 67 1 1 5 LEU HB2 H 6.583 0.410 3.234 1.00 . A A . 5 LEU HB2 1 1 1 68 1 1 5 LEU HB3 H 8.008 0.460 4.271 1.00 . A A . 5 LEU HB3 1 1 1 69 1 1 5 LEU HD11 H 5.344 2.263 2.800 1.00 . A A . 5 LEU HD11 1 1 1 70 1 1 5 LEU HD12 H 5.283 3.663 3.866 1.00 . A A . 5 LEU HD12 1 1 1 71 1 1 5 LEU HD13 H 4.627 2.117 4.403 1.00 . A A . 5 LEU HD13 1 1 1 72 1 1 5 LEU HD21 H 7.412 2.236 6.450 1.00 . A A . 5 LEU HD21 1 1 1 73 1 1 5 LEU HD22 H 6.625 0.737 5.955 1.00 . A A . 5 LEU HD22 1 1 1 74 1 1 5 LEU HD23 H 5.663 2.186 6.240 1.00 . A A . 5 LEU HD23 1 1 1 75 1 1 5 LEU HG H 7.433 3.064 4.333 1.00 . A A . 5 LEU HG 1 1 1 76 1 1 5 LEU N N 7.312 1.956 1.331 1.00 . A A . 5 LEU N 1 1 1 77 1 1 5 LEU O O 10.350 0.510 2.223 1.00 . A A . 5 LEU O 1 1 1 78 1 1 6 ALA C C 10.701 -0.958 -0.055 1.00 . A A . 6 ALA C 1 1 1 79 1 1 6 ALA CA C 9.511 -1.571 0.695 1.00 . A A . 6 ALA CA 1 1 1 80 1 1 6 ALA CB C 8.699 -2.447 -0.262 1.00 . A A . 6 ALA CB 1 1 1 81 1 1 6 ALA H H 7.680 -0.466 1.015 1.00 . A A . 6 ALA H 1 1 1 82 1 1 6 ALA HA H 9.871 -2.172 1.517 1.00 . A A . 6 ALA HA 1 1 1 83 1 1 6 ALA HB1 H 7.917 -2.950 0.287 1.00 . A A . 6 ALA HB1 1 1 1 84 1 1 6 ALA HB2 H 9.348 -3.182 -0.717 1.00 . A A . 6 ALA HB2 1 1 1 85 1 1 6 ALA HB3 H 8.260 -1.831 -1.031 1.00 . A A . 6 ALA HB3 1 1 1 86 1 1 6 ALA N N 8.645 -0.475 1.223 1.00 . A A . 6 ALA N 1 1 1 87 1 1 6 ALA O O 11.847 -1.291 0.198 1.00 . A A . 6 ALA O 1 1 1 88 1 1 7 CGU C C 12.529 1.205 -0.723 1.00 . A A . 7 CGU C 1 1 1 89 1 1 7 CGU CA C 11.540 0.599 -1.722 1.00 . A A . 7 CGU CA 1 1 1 90 1 1 7 CGU CB C 10.956 1.708 -2.602 1.00 . A A . 7 CGU CB 1 1 1 91 1 1 7 CGU CD1 C 9.130 2.132 -4.305 1.00 . A A . 7 CGU CD1 1 1 1 92 1 1 7 CGU CD2 C 11.050 0.650 -4.905 1.00 . A A . 7 CGU CD2 1 1 1 93 1 1 7 CGU CG C 10.124 1.092 -3.754 1.00 . A A . 7 CGU CG 1 1 1 94 1 1 7 CGU H H 9.505 0.209 -1.141 1.00 . A A . 7 CGU H 1 1 1 95 1 1 7 CGU HA H 12.044 -0.133 -2.338 1.00 . A A . 7 CGU HA 1 1 1 96 1 1 7 CGU HB2 H 11.762 2.289 -3.017 1.00 . A A . 7 CGU HB2 1 1 1 97 1 1 7 CGU HB3 H 10.328 2.354 -1.995 1.00 . A A . 7 CGU HB3 1 1 1 98 1 1 7 CGU HG H 9.574 0.230 -3.392 1.00 . A A . 7 CGU HG 1 1 1 99 1 1 7 CGU N N 10.435 -0.052 -0.965 1.00 . A A . 7 CGU N 1 1 1 100 1 1 7 CGU O O 13.716 0.931 -0.758 1.00 . A A . 7 CGU O 1 1 1 101 1 1 7 CGU OE11 O 8.595 1.898 -5.382 1.00 . A A . 7 CGU OE11 1 1 1 102 1 1 7 CGU OE12 O 8.911 3.135 -3.647 1.00 . A A . 7 CGU OE12 1 1 1 103 1 1 7 CGU OE21 O 10.529 0.214 -5.926 1.00 . A A . 7 CGU OE21 1 1 1 104 1 1 7 CGU OE22 O 12.255 0.751 -4.756 1.00 . A A . 7 CGU OE22 1 1 1 105 1 1 8 LYS C C 13.595 1.526 2.021 1.00 . A A . 8 LYS C 1 1 1 106 1 1 8 LYS CA C 12.931 2.634 1.202 1.00 . A A . 8 LYS CA 1 1 1 107 1 1 8 LYS CB C 12.098 3.535 2.119 1.00 . A A . 8 LYS CB 1 1 1 108 1 1 8 LYS CD C 10.370 5.349 2.024 1.00 . A A . 8 LYS CD 1 1 1 109 1 1 8 LYS CE C 9.641 6.295 1.067 1.00 . A A . 8 LYS CE 1 1 1 110 1 1 8 LYS CG C 11.587 4.738 1.320 1.00 . A A . 8 LYS CG 1 1 1 111 1 1 8 LYS H H 11.077 2.205 0.194 1.00 . A A . 8 LYS H 1 1 1 112 1 1 8 LYS HA H 13.689 3.225 0.711 1.00 . A A . 8 LYS HA 1 1 1 113 1 1 8 LYS HB2 H 11.261 2.975 2.512 1.00 . A A . 8 LYS HB2 1 1 1 114 1 1 8 LYS HB3 H 12.713 3.884 2.937 1.00 . A A . 8 LYS HB3 1 1 1 115 1 1 8 LYS HD2 H 9.699 4.561 2.333 1.00 . A A . 8 LYS HD2 1 1 1 116 1 1 8 LYS HD3 H 10.697 5.902 2.892 1.00 . A A . 8 LYS HD3 1 1 1 117 1 1 8 LYS HE2 H 8.756 6.687 1.551 1.00 . A A . 8 LYS HE2 1 1 1 118 1 1 8 LYS HE3 H 10.295 7.112 0.797 1.00 . A A . 8 LYS HE3 1 1 1 119 1 1 8 LYS HG2 H 12.372 5.479 1.248 1.00 . A A . 8 LYS HG2 1 1 1 120 1 1 8 LYS HG3 H 11.305 4.416 0.328 1.00 . A A . 8 LYS HG3 1 1 1 121 1 1 8 LYS HZ1 H 9.096 4.531 0.083 1.00 . A A . 8 LYS HZ1 1 1 1 122 1 1 8 LYS HZ2 H 10.004 5.616 -0.872 1.00 . A A . 8 LYS HZ2 1 1 1 123 1 1 8 LYS HZ3 H 8.356 5.939 -0.554 1.00 . A A . 8 LYS HZ3 1 1 1 124 1 1 8 LYS N N 12.039 2.015 0.181 1.00 . A A . 8 LYS N 1 1 1 125 1 1 8 LYS NZ N 9.249 5.540 -0.160 1.00 . A A . 8 LYS NZ 1 1 1 126 1 1 8 LYS O O 14.797 1.521 2.223 1.00 . A A . 8 LYS O 1 1 1 127 1 1 9 ALA C C 14.449 -1.292 2.450 1.00 . A A . 9 ALA C 1 1 1 128 1 1 9 ALA CA C 13.401 -0.539 3.283 1.00 . A A . 9 ALA CA 1 1 1 129 1 1 9 ALA CB C 12.281 -1.501 3.692 1.00 . A A . 9 ALA CB 1 1 1 130 1 1 9 ALA H H 11.851 0.599 2.298 1.00 . A A . 9 ALA H 1 1 1 131 1 1 9 ALA HA H 13.871 -0.139 4.170 1.00 . A A . 9 ALA HA 1 1 1 132 1 1 9 ALA HB1 H 12.111 -2.215 2.899 1.00 . A A . 9 ALA HB1 1 1 1 133 1 1 9 ALA HB2 H 11.375 -0.941 3.871 1.00 . A A . 9 ALA HB2 1 1 1 134 1 1 9 ALA HB3 H 12.564 -2.024 4.593 1.00 . A A . 9 ALA HB3 1 1 1 135 1 1 9 ALA N N 12.822 0.578 2.483 1.00 . A A . 9 ALA N 1 1 1 136 1 1 9 ALA O O 15.476 -1.717 2.959 1.00 . A A . 9 ALA O 1 1 1 137 1 1 10 CGU C C 16.381 -1.270 0.036 1.00 . A A . 10 CGU C 1 1 1 138 1 1 10 CGU CA C 15.194 -2.197 0.349 1.00 . A A . 10 CGU CA 1 1 1 139 1 1 10 CGU CB C 14.515 -2.693 -0.938 1.00 . A A . 10 CGU CB 1 1 1 140 1 1 10 CGU CD1 C 15.061 -3.207 -3.355 1.00 . A A . 10 CGU CD1 1 1 1 141 1 1 10 CGU CD2 C 16.180 -4.496 -1.535 1.00 . A A . 10 CGU CD2 1 1 1 142 1 1 10 CGU CG C 15.601 -3.118 -1.921 1.00 . A A . 10 CGU CG 1 1 1 143 1 1 10 CGU H H 13.386 -1.132 0.771 1.00 . A A . 10 CGU H 1 1 1 144 1 1 10 CGU HA H 15.560 -3.047 0.904 1.00 . A A . 10 CGU HA 1 1 1 145 1 1 10 CGU HB2 H 13.922 -1.904 -1.373 1.00 . A A . 10 CGU HB2 1 1 1 146 1 1 10 CGU HB3 H 13.880 -3.537 -0.710 1.00 . A A . 10 CGU HB3 1 1 1 147 1 1 10 CGU HG H 16.377 -2.379 -1.886 1.00 . A A . 10 CGU HG 1 1 1 148 1 1 10 CGU N N 14.210 -1.472 1.178 1.00 . A A . 10 CGU N 1 1 1 149 1 1 10 CGU O O 17.524 -1.657 0.175 1.00 . A A . 10 CGU O 1 1 1 150 1 1 10 CGU OE11 O 15.876 -3.402 -4.251 1.00 . A A . 10 CGU OE11 1 1 1 151 1 1 10 CGU OE12 O 13.861 -3.088 -3.538 1.00 . A A . 10 CGU OE12 1 1 1 152 1 1 10 CGU OE21 O 16.816 -5.109 -2.387 1.00 . A A . 10 CGU OE21 1 1 1 153 1 1 10 CGU OE22 O 15.990 -4.915 -0.403 1.00 . A A . 10 CGU OE22 1 1 1 154 1 1 11 PHE C C 18.024 1.104 0.674 1.00 . A A . 11 PHE C 1 1 1 155 1 1 11 PHE CA C 17.259 0.896 -0.630 1.00 . A A . 11 PHE CA 1 1 1 156 1 1 11 PHE CB C 16.681 2.213 -1.181 1.00 . A A . 11 PHE CB 1 1 1 157 1 1 11 PHE CD1 C 18.133 4.263 -1.422 1.00 . A A . 11 PHE CD1 1 1 1 158 1 1 11 PHE CD2 C 17.210 3.750 0.756 1.00 . A A . 11 PHE CD2 1 1 1 159 1 1 11 PHE CE1 C 18.731 5.414 -0.893 1.00 . A A . 11 PHE CE1 1 1 1 160 1 1 11 PHE CE2 C 17.816 4.893 1.286 1.00 . A A . 11 PHE CE2 1 1 1 161 1 1 11 PHE CG C 17.371 3.430 -0.596 1.00 . A A . 11 PHE CG 1 1 1 162 1 1 11 PHE CZ C 18.574 5.728 0.460 1.00 . A A . 11 PHE CZ 1 1 1 163 1 1 11 PHE H H 15.205 0.272 -0.428 1.00 . A A . 11 PHE H 1 1 1 164 1 1 11 PHE HA H 17.927 0.465 -1.360 1.00 . A A . 11 PHE HA 1 1 1 165 1 1 11 PHE HB2 H 16.803 2.226 -2.253 1.00 . A A . 11 PHE HB2 1 1 1 166 1 1 11 PHE HB3 H 15.630 2.258 -0.951 1.00 . A A . 11 PHE HB3 1 1 1 167 1 1 11 PHE HD1 H 18.273 4.011 -2.467 1.00 . A A . 11 PHE HD1 1 1 1 168 1 1 11 PHE HD2 H 16.633 3.104 1.394 1.00 . A A . 11 PHE HD2 1 1 1 169 1 1 11 PHE HE1 H 19.317 6.060 -1.531 1.00 . A A . 11 PHE HE1 1 1 1 170 1 1 11 PHE HE2 H 17.695 5.134 2.333 1.00 . A A . 11 PHE HE2 1 1 1 171 1 1 11 PHE HZ H 19.036 6.616 0.867 1.00 . A A . 11 PHE HZ 1 1 1 172 1 1 11 PHE N N 16.131 -0.042 -0.350 1.00 . A A . 11 PHE N 1 1 1 173 1 1 11 PHE O O 19.235 1.194 0.689 1.00 . A A . 11 PHE O 1 1 1 174 1 1 12 ALA C C 18.993 0.179 3.294 1.00 . A A . 12 ALA C 1 1 1 175 1 1 12 ALA CA C 18.000 1.323 3.087 1.00 . A A . 12 ALA CA 1 1 1 176 1 1 12 ALA CB C 16.954 1.306 4.205 1.00 . A A . 12 ALA CB 1 1 1 177 1 1 12 ALA H H 16.343 1.050 1.740 1.00 . A A . 12 ALA H 1 1 1 178 1 1 12 ALA HA H 18.528 2.265 3.098 1.00 . A A . 12 ALA HA 1 1 1 179 1 1 12 ALA HB1 H 16.347 0.417 4.117 1.00 . A A . 12 ALA HB1 1 1 1 180 1 1 12 ALA HB2 H 16.325 2.180 4.123 1.00 . A A . 12 ALA HB2 1 1 1 181 1 1 12 ALA HB3 H 17.452 1.309 5.164 1.00 . A A . 12 ALA HB3 1 1 1 182 1 1 12 ALA N N 17.322 1.148 1.776 1.00 . A A . 12 ALA N 1 1 1 183 1 1 12 ALA O O 20.001 0.339 3.945 1.00 . A A . 12 ALA O 1 1 1 184 1 1 13 ARG C C 20.853 -1.988 1.971 1.00 . A A . 13 ARG C 1 1 1 185 1 1 13 ARG CA C 19.653 -2.125 2.922 1.00 . A A . 13 ARG CA 1 1 1 186 1 1 13 ARG CB C 18.904 -3.427 2.623 1.00 . A A . 13 ARG CB 1 1 1 187 1 1 13 ARG CD C 16.942 -4.782 3.381 1.00 . A A . 13 ARG CD 1 1 1 188 1 1 13 ARG CG C 18.032 -3.804 3.824 1.00 . A A . 13 ARG CG 1 1 1 189 1 1 13 ARG CZ C 14.633 -4.637 2.678 1.00 . A A . 13 ARG CZ 1 1 1 190 1 1 13 ARG H H 17.888 -1.088 2.223 1.00 . A A . 13 ARG H 1 1 1 191 1 1 13 ARG HA H 20.009 -2.144 3.942 1.00 . A A . 13 ARG HA 1 1 1 192 1 1 13 ARG HB2 H 18.280 -3.291 1.752 1.00 . A A . 13 ARG HB2 1 1 1 193 1 1 13 ARG HB3 H 19.616 -4.218 2.436 1.00 . A A . 13 ARG HB3 1 1 1 194 1 1 13 ARG HD2 H 17.295 -5.358 2.537 1.00 . A A . 13 ARG HD2 1 1 1 195 1 1 13 ARG HD3 H 16.703 -5.449 4.197 1.00 . A A . 13 ARG HD3 1 1 1 196 1 1 13 ARG HE H 15.744 -3.018 2.974 1.00 . A A . 13 ARG HE 1 1 1 197 1 1 13 ARG HG2 H 18.646 -4.268 4.584 1.00 . A A . 13 ARG HG2 1 1 1 198 1 1 13 ARG HG3 H 17.571 -2.914 4.229 1.00 . A A . 13 ARG HG3 1 1 1 199 1 1 13 ARG HH11 H 15.236 -5.069 0.822 1.00 . A A . 13 ARG HH11 1 1 1 200 1 1 13 ARG HH12 H 13.654 -5.637 1.264 1.00 . A A . 13 ARG HH12 1 1 1 201 1 1 13 ARG HH21 H 13.795 -4.334 4.450 1.00 . A A . 13 ARG HH21 1 1 1 202 1 1 13 ARG HH22 H 12.841 -5.217 3.311 1.00 . A A . 13 ARG HH22 1 1 1 203 1 1 13 ARG N N 18.716 -0.975 2.747 1.00 . A A . 13 ARG N 1 1 1 204 1 1 13 ARG NE N 15.724 -4.014 2.989 1.00 . A A . 13 ARG NE 1 1 1 205 1 1 13 ARG NH1 N 14.494 -5.155 1.502 1.00 . A A . 13 ARG NH1 1 1 1 206 1 1 13 ARG NH2 N 13.683 -4.738 3.545 1.00 . A A . 13 ARG NH2 1 1 1 207 1 1 13 ARG O O 21.986 -1.863 2.401 1.00 . A A . 13 ARG O 1 1 1 208 1 1 14 CGU C C 22.543 -0.637 -0.083 1.00 . A A . 14 CGU C 1 1 1 209 1 1 14 CGU CA C 21.732 -1.920 -0.298 1.00 . A A . 14 CGU CA 1 1 1 210 1 1 14 CGU CB C 21.150 -1.927 -1.717 1.00 . A A . 14 CGU CB 1 1 1 211 1 1 14 CGU CD1 C 19.156 -3.405 -1.642 1.00 . A A . 14 CGU CD1 1 1 1 212 1 1 14 CGU CD2 C 20.726 -3.620 -3.557 1.00 . A A . 14 CGU CD2 1 1 1 213 1 1 14 CGU CG C 20.623 -3.331 -2.045 1.00 . A A . 14 CGU CG 1 1 1 214 1 1 14 CGU H H 19.697 -2.139 0.361 1.00 . A A . 14 CGU H 1 1 1 215 1 1 14 CGU HA H 22.389 -2.769 -0.180 1.00 . A A . 14 CGU HA 1 1 1 216 1 1 14 CGU HB2 H 21.911 -1.651 -2.421 1.00 . A A . 14 CGU HB2 1 1 1 217 1 1 14 CGU HB3 H 20.334 -1.217 -1.773 1.00 . A A . 14 CGU HB3 1 1 1 218 1 1 14 CGU HG H 21.186 -4.067 -1.493 1.00 . A A . 14 CGU HG 1 1 1 219 1 1 14 CGU N N 20.614 -2.025 0.685 1.00 . A A . 14 CGU N 1 1 1 220 1 1 14 CGU O O 23.747 -0.635 -0.227 1.00 . A A . 14 CGU O 1 1 1 221 1 1 14 CGU OE11 O 18.340 -2.903 -2.397 1.00 . A A . 14 CGU OE11 1 1 1 222 1 1 14 CGU OE12 O 18.872 -3.963 -0.600 1.00 . A A . 14 CGU OE12 1 1 1 223 1 1 14 CGU OE21 O 21.749 -3.298 -4.133 1.00 . A A . 14 CGU OE21 1 1 1 224 1 1 14 CGU OE22 O 19.772 -4.167 -4.115 1.00 . A A . 14 CGU OE22 1 1 1 225 1 1 15 LEU C C 23.215 1.822 1.860 1.00 . A A . 15 LEU C 1 1 1 226 1 1 15 LEU CA C 22.668 1.721 0.426 1.00 . A A . 15 LEU CA 1 1 1 227 1 1 15 LEU CB C 21.749 2.908 0.097 1.00 . A A . 15 LEU CB 1 1 1 228 1 1 15 LEU CD1 C 20.472 2.092 -1.904 1.00 . A A . 15 LEU CD1 1 1 1 229 1 1 15 LEU CD2 C 21.249 4.458 -1.801 1.00 . A A . 15 LEU CD2 1 1 1 230 1 1 15 LEU CG C 21.591 3.018 -1.428 1.00 . A A . 15 LEU CG 1 1 1 231 1 1 15 LEU H H 20.931 0.452 0.334 1.00 . A A . 15 LEU H 1 1 1 232 1 1 15 LEU HA H 23.507 1.727 -0.253 1.00 . A A . 15 LEU HA 1 1 1 233 1 1 15 LEU HB2 H 20.776 2.750 0.547 1.00 . A A . 15 LEU HB2 1 1 1 234 1 1 15 LEU HB3 H 22.177 3.821 0.480 1.00 . A A . 15 LEU HB3 1 1 1 235 1 1 15 LEU HD11 H 20.804 1.067 -1.842 1.00 . A A . 15 LEU HD11 1 1 1 236 1 1 15 LEU HD12 H 20.221 2.327 -2.927 1.00 . A A . 15 LEU HD12 1 1 1 237 1 1 15 LEU HD13 H 19.604 2.227 -1.280 1.00 . A A . 15 LEU HD13 1 1 1 238 1 1 15 LEU HD21 H 21.022 5.017 -0.906 1.00 . A A . 15 LEU HD21 1 1 1 239 1 1 15 LEU HD22 H 20.393 4.465 -2.459 1.00 . A A . 15 LEU HD22 1 1 1 240 1 1 15 LEU HD23 H 22.091 4.909 -2.302 1.00 . A A . 15 LEU HD23 1 1 1 241 1 1 15 LEU HG H 22.513 2.733 -1.910 1.00 . A A . 15 LEU HG 1 1 1 242 1 1 15 LEU N N 21.908 0.455 0.236 1.00 . A A . 15 LEU N 1 1 1 243 1 1 15 LEU O O 24.074 2.634 2.142 1.00 . A A . 15 LEU O 1 1 1 244 1 1 16 ALA C C 24.701 0.511 4.220 1.00 . A A . 16 ALA C 1 1 1 245 1 1 16 ALA CA C 23.273 1.069 4.166 1.00 . A A . 16 ALA CA 1 1 1 246 1 1 16 ALA CB C 22.381 0.250 5.101 1.00 . A A . 16 ALA CB 1 1 1 247 1 1 16 ALA H H 22.063 0.340 2.526 1.00 . A A . 16 ALA H 1 1 1 248 1 1 16 ALA HA H 23.284 2.099 4.494 1.00 . A A . 16 ALA HA 1 1 1 249 1 1 16 ALA HB1 H 22.015 -0.622 4.579 1.00 . A A . 16 ALA HB1 1 1 1 250 1 1 16 ALA HB2 H 21.546 0.854 5.423 1.00 . A A . 16 ALA HB2 1 1 1 251 1 1 16 ALA HB3 H 22.952 -0.061 5.964 1.00 . A A . 16 ALA HB3 1 1 1 252 1 1 16 ALA N N 22.747 1.002 2.765 1.00 . A A . 16 ALA N 1 1 1 253 1 1 16 ALA O O 25.535 0.997 4.956 1.00 . A A . 16 ALA O 1 1 1 254 1 1 17 ASN C C 27.389 -0.119 2.903 1.00 . A A . 17 ASN C 1 1 1 255 1 1 17 ASN CA C 26.368 -1.101 3.500 1.00 . A A . 17 ASN CA 1 1 1 256 1 1 17 ASN CB C 26.391 -2.423 2.717 1.00 . A A . 17 ASN CB 1 1 1 257 1 1 17 ASN CG C 26.586 -2.155 1.223 1.00 . A A . 17 ASN CG 1 1 1 258 1 1 17 ASN H H 24.301 -0.908 2.878 1.00 . A A . 17 ASN H 1 1 1 259 1 1 17 ASN HA H 26.636 -1.296 4.528 1.00 . A A . 17 ASN HA 1 1 1 260 1 1 17 ASN HB2 H 27.203 -3.038 3.077 1.00 . A A . 17 ASN HB2 1 1 1 261 1 1 17 ASN HB3 H 25.456 -2.943 2.866 1.00 . A A . 17 ASN HB3 1 1 1 262 1 1 17 ASN HD21 H 28.430 -1.456 1.446 1.00 . A A . 17 ASN HD21 1 1 1 263 1 1 17 ASN HD22 H 27.840 -1.483 -0.156 1.00 . A A . 17 ASN HD22 1 1 1 264 1 1 17 ASN N N 24.990 -0.515 3.461 1.00 . A A . 17 ASN N 1 1 1 265 1 1 17 ASN ND2 N 27.711 -1.658 0.803 1.00 . A A . 17 ASN ND2 1 1 1 266 1 1 17 ASN O O 28.582 -0.347 2.959 1.00 . A A . 17 ASN O 1 1 1 267 1 1 17 ASN OD1 O 25.706 -2.404 0.431 1.00 . A A . 17 ASN OD1 1 1 1 268 1 1 18 TYR C C 28.525 2.796 2.847 1.00 . A A . 18 TYR C 1 1 1 269 1 1 18 TYR CA C 27.887 1.950 1.733 1.00 . A A . 18 TYR CA 1 1 1 270 1 1 18 TYR CB C 27.118 2.861 0.762 1.00 . A A . 18 TYR CB 1 1 1 271 1 1 18 TYR CD1 C 26.239 0.933 -0.629 1.00 . A A . 18 TYR CD1 1 1 1 272 1 1 18 TYR CD2 C 27.395 2.747 -1.749 1.00 . A A . 18 TYR CD2 1 1 1 273 1 1 18 TYR CE1 C 26.053 0.294 -1.862 1.00 . A A . 18 TYR CE1 1 1 1 274 1 1 18 TYR CE2 C 27.205 2.105 -2.980 1.00 . A A . 18 TYR CE2 1 1 1 275 1 1 18 TYR CG C 26.912 2.162 -0.570 1.00 . A A . 18 TYR CG 1 1 1 276 1 1 18 TYR CZ C 26.536 0.880 -3.035 1.00 . A A . 18 TYR CZ 1 1 1 277 1 1 18 TYR H H 25.974 1.135 2.292 1.00 . A A . 18 TYR H 1 1 1 278 1 1 18 TYR HA H 28.667 1.423 1.200 1.00 . A A . 18 TYR HA 1 1 1 279 1 1 18 TYR HB2 H 26.157 3.106 1.189 1.00 . A A . 18 TYR HB2 1 1 1 280 1 1 18 TYR HB3 H 27.679 3.768 0.607 1.00 . A A . 18 TYR HB3 1 1 1 281 1 1 18 TYR HD1 H 25.862 0.478 0.272 1.00 . A A . 18 TYR HD1 1 1 1 282 1 1 18 TYR HD2 H 27.910 3.695 -1.711 1.00 . A A . 18 TYR HD2 1 1 1 283 1 1 18 TYR HE1 H 25.533 -0.653 -1.907 1.00 . A A . 18 TYR HE1 1 1 1 284 1 1 18 TYR HE2 H 27.577 2.557 -3.887 1.00 . A A . 18 TYR HE2 1 1 1 285 1 1 18 TYR HH H 27.205 -0.086 -4.536 1.00 . A A . 18 TYR HH 1 1 1 286 1 1 18 TYR N N 26.938 0.966 2.331 1.00 . A A . 18 TYR N 1 1 1 287 1 1 18 TYR O O 28.765 3.973 2.679 1.00 . A A . 18 TYR O 1 1 1 288 1 1 18 TYR OH O 26.353 0.249 -4.246 1.00 . A A . 18 TYR OH 1 1 1 289 1 1 19 NH2 HN1 H 28.621 1.280 4.127 1.00 . A A . 19 NH2 HN1 1 1 1 290 1 1 19 NH2 HN2 H 29.225 2.776 4.703 1.00 . A A . 19 NH2 HN2 1 1 1 291 1 1 19 NH2 N N 28.814 2.238 3.986 1.00 . A A . 19 NH2 N 1 1 2 292 1 1 1 GLY C C 2.782 1.187 0.630 1.00 . A A . 1 GLY C 1 1 2 293 1 1 1 GLY CA C 1.535 1.949 0.167 1.00 . A A . 1 GLY CA 1 1 2 294 1 1 1 GLY H1 H 1.953 3.943 -0.328 1.00 . A A . 1 GLY H1 1 1 2 295 1 1 1 GLY H2 H 2.414 3.502 1.251 1.00 . A A . 1 GLY H2 1 1 2 296 1 1 1 GLY H3 H 0.773 3.758 0.884 1.00 . A A . 1 GLY H3 1 1 2 297 1 1 1 GLY HA2 H 0.663 1.539 0.656 1.00 . A A . 1 GLY HA2 1 1 2 298 1 1 1 GLY HA3 H 1.428 1.847 -0.904 1.00 . A A . 1 GLY HA3 1 1 2 299 1 1 1 GLY N N 1.678 3.395 0.521 1.00 . A A . 1 GLY N 1 1 2 300 1 1 1 GLY O O 3.795 1.782 0.928 1.00 . A A . 1 GLY O 1 1 2 301 1 1 2 GLU C C 5.104 -0.636 0.235 1.00 . A A . 2 GLU C 1 1 2 302 1 1 2 GLU CA C 3.903 -0.912 1.152 1.00 . A A . 2 GLU CA 1 1 2 303 1 1 2 GLU CB C 3.553 -2.405 1.115 1.00 . A A . 2 GLU CB 1 1 2 304 1 1 2 GLU CD C 5.536 -2.716 2.637 1.00 . A A . 2 GLU CD 1 1 2 305 1 1 2 GLU CG C 4.808 -3.249 1.398 1.00 . A A . 2 GLU CG 1 1 2 306 1 1 2 GLU H H 1.883 -0.580 0.459 1.00 . A A . 2 GLU H 1 1 2 307 1 1 2 GLU HA H 4.157 -0.630 2.164 1.00 . A A . 2 GLU HA 1 1 2 308 1 1 2 GLU HB2 H 2.803 -2.615 1.864 1.00 . A A . 2 GLU HB2 1 1 2 309 1 1 2 GLU HB3 H 3.164 -2.660 0.139 1.00 . A A . 2 GLU HB3 1 1 2 310 1 1 2 GLU HG2 H 4.518 -4.274 1.571 1.00 . A A . 2 GLU HG2 1 1 2 311 1 1 2 GLU HG3 H 5.472 -3.203 0.549 1.00 . A A . 2 GLU HG3 1 1 2 312 1 1 2 GLU N N 2.715 -0.118 0.699 1.00 . A A . 2 GLU N 1 1 2 313 1 1 2 GLU O O 6.183 -0.306 0.693 1.00 . A A . 2 GLU O 1 1 2 314 1 1 2 GLU OE1 O 4.906 -2.621 3.678 1.00 . A A . 2 GLU OE1 1 1 2 315 1 1 2 GLU OE2 O 6.712 -2.414 2.521 1.00 . A A . 2 GLU OE2 1 1 2 316 1 1 3 CGU C C 6.764 0.788 -1.630 1.00 . A A . 3 CGU C 1 1 2 317 1 1 3 CGU CA C 6.051 -0.518 -2.008 1.00 . A A . 3 CGU CA 1 1 2 318 1 1 3 CGU CB C 5.498 -0.405 -3.449 1.00 . A A . 3 CGU CB 1 1 2 319 1 1 3 CGU CD1 C 7.639 -1.315 -4.457 1.00 . A A . 3 CGU CD1 1 1 2 320 1 1 3 CGU CD2 C 6.150 0.101 -5.848 1.00 . A A . 3 CGU CD2 1 1 2 321 1 1 3 CGU CG C 6.660 -0.129 -4.419 1.00 . A A . 3 CGU CG 1 1 2 322 1 1 3 CGU H H 4.047 -1.038 -1.398 1.00 . A A . 3 CGU H 1 1 2 323 1 1 3 CGU HA H 6.765 -1.334 -1.943 1.00 . A A . 3 CGU HA 1 1 2 324 1 1 3 CGU HB2 H 4.799 0.420 -3.494 1.00 . A A . 3 CGU HB2 1 1 2 325 1 1 3 CGU HB3 H 4.986 -1.321 -3.738 1.00 . A A . 3 CGU HB3 1 1 2 326 1 1 3 CGU HG H 7.183 0.753 -4.089 1.00 . A A . 3 CGU HG 1 1 2 327 1 1 3 CGU N N 4.924 -0.770 -1.056 1.00 . A A . 3 CGU N 1 1 2 328 1 1 3 CGU O O 7.975 0.886 -1.713 1.00 . A A . 3 CGU O 1 1 2 329 1 1 3 CGU OE11 O 8.693 -1.157 -5.057 1.00 . A A . 3 CGU OE11 1 1 2 330 1 1 3 CGU OE12 O 7.323 -2.355 -3.908 1.00 . A A . 3 CGU OE12 1 1 2 331 1 1 3 CGU OE21 O 4.947 0.134 -6.045 1.00 . A A . 3 CGU OE21 1 1 2 332 1 1 3 CGU OE22 O 6.992 0.245 -6.729 1.00 . A A . 3 CGU OE22 1 1 2 333 1 1 4 CGU C C 7.612 2.814 0.362 1.00 . A A . 4 CGU C 1 1 2 334 1 1 4 CGU CA C 6.662 3.070 -0.807 1.00 . A A . 4 CGU CA 1 1 2 335 1 1 4 CGU CB C 5.573 4.059 -0.382 1.00 . A A . 4 CGU CB 1 1 2 336 1 1 4 CGU CD1 C 6.120 5.856 -2.061 1.00 . A A . 4 CGU CD1 1 1 2 337 1 1 4 CGU CD2 C 3.762 5.552 -1.255 1.00 . A A . 4 CGU CD2 1 1 2 338 1 1 4 CGU CG C 5.068 4.827 -1.611 1.00 . A A . 4 CGU CG 1 1 2 339 1 1 4 CGU H H 5.058 1.672 -1.132 1.00 . A A . 4 CGU H 1 1 2 340 1 1 4 CGU HA H 7.217 3.474 -1.642 1.00 . A A . 4 CGU HA 1 1 2 341 1 1 4 CGU HB2 H 5.978 4.755 0.336 1.00 . A A . 4 CGU HB2 1 1 2 342 1 1 4 CGU HB3 H 4.753 3.517 0.066 1.00 . A A . 4 CGU HB3 1 1 2 343 1 1 4 CGU HG H 4.882 4.133 -2.417 1.00 . A A . 4 CGU HG 1 1 2 344 1 1 4 CGU N N 6.028 1.780 -1.203 1.00 . A A . 4 CGU N 1 1 2 345 1 1 4 CGU O O 8.681 3.397 0.449 1.00 . A A . 4 CGU O 1 1 2 346 1 1 4 CGU OE11 O 6.125 6.191 -3.233 1.00 . A A . 4 CGU OE11 1 1 2 347 1 1 4 CGU OE12 O 6.906 6.288 -1.227 1.00 . A A . 4 CGU OE12 1 1 2 348 1 1 4 CGU OE21 O 2.751 4.875 -1.129 1.00 . A A . 4 CGU OE21 1 1 2 349 1 1 4 CGU OE22 O 3.792 6.763 -1.110 1.00 . A A . 4 CGU OE22 1 1 2 350 1 1 5 LEU C C 9.115 0.543 1.950 1.00 . A A . 5 LEU C 1 1 2 351 1 1 5 LEU CA C 8.100 1.589 2.403 1.00 . A A . 5 LEU CA 1 1 2 352 1 1 5 LEU CB C 7.239 1.014 3.530 1.00 . A A . 5 LEU CB 1 1 2 353 1 1 5 LEU CD1 C 5.151 2.406 3.476 1.00 . A A . 5 LEU CD1 1 1 2 354 1 1 5 LEU CD2 C 6.147 1.732 5.660 1.00 . A A . 5 LEU CD2 1 1 2 355 1 1 5 LEU CG C 6.461 2.141 4.220 1.00 . A A . 5 LEU CG 1 1 2 356 1 1 5 LEU H H 6.377 1.463 1.137 1.00 . A A . 5 LEU H 1 1 2 357 1 1 5 LEU HA H 8.616 2.473 2.749 1.00 . A A . 5 LEU HA 1 1 2 358 1 1 5 LEU HB2 H 6.545 0.290 3.121 1.00 . A A . 5 LEU HB2 1 1 2 359 1 1 5 LEU HB3 H 7.877 0.527 4.251 1.00 . A A . 5 LEU HB3 1 1 2 360 1 1 5 LEU HD11 H 4.466 2.927 4.131 1.00 . A A . 5 LEU HD11 1 1 2 361 1 1 5 LEU HD12 H 4.712 1.468 3.171 1.00 . A A . 5 LEU HD12 1 1 2 362 1 1 5 LEU HD13 H 5.347 3.013 2.606 1.00 . A A . 5 LEU HD13 1 1 2 363 1 1 5 LEU HD21 H 5.752 0.725 5.670 1.00 . A A . 5 LEU HD21 1 1 2 364 1 1 5 LEU HD22 H 5.417 2.410 6.076 1.00 . A A . 5 LEU HD22 1 1 2 365 1 1 5 LEU HD23 H 7.051 1.768 6.250 1.00 . A A . 5 LEU HD23 1 1 2 366 1 1 5 LEU HG H 7.058 3.039 4.223 1.00 . A A . 5 LEU HG 1 1 2 367 1 1 5 LEU N N 7.234 1.927 1.246 1.00 . A A . 5 LEU N 1 1 2 368 1 1 5 LEU O O 10.299 0.663 2.200 1.00 . A A . 5 LEU O 1 1 2 369 1 1 6 ALA C C 10.775 -0.872 0.074 1.00 . A A . 6 ALA C 1 1 2 370 1 1 6 ALA CA C 9.586 -1.537 0.783 1.00 . A A . 6 ALA CA 1 1 2 371 1 1 6 ALA CB C 8.845 -2.456 -0.193 1.00 . A A . 6 ALA CB 1 1 2 372 1 1 6 ALA H H 7.690 -0.544 1.077 1.00 . A A . 6 ALA H 1 1 2 373 1 1 6 ALA HA H 9.943 -2.117 1.623 1.00 . A A . 6 ALA HA 1 1 2 374 1 1 6 ALA HB1 H 7.781 -2.366 -0.034 1.00 . A A . 6 ALA HB1 1 1 2 375 1 1 6 ALA HB2 H 9.147 -3.480 -0.023 1.00 . A A . 6 ALA HB2 1 1 2 376 1 1 6 ALA HB3 H 9.082 -2.174 -1.209 1.00 . A A . 6 ALA HB3 1 1 2 377 1 1 6 ALA N N 8.656 -0.479 1.271 1.00 . A A . 6 ALA N 1 1 2 378 1 1 6 ALA O O 11.925 -1.183 0.336 1.00 . A A . 6 ALA O 1 1 2 379 1 1 7 CGU C C 12.509 1.452 -0.494 1.00 . A A . 7 CGU C 1 1 2 380 1 1 7 CGU CA C 11.605 0.765 -1.523 1.00 . A A . 7 CGU CA 1 1 2 381 1 1 7 CGU CB C 10.999 1.827 -2.450 1.00 . A A . 7 CGU CB 1 1 2 382 1 1 7 CGU CD1 C 9.250 2.114 -4.258 1.00 . A A . 7 CGU CD1 1 1 2 383 1 1 7 CGU CD2 C 11.304 0.777 -4.739 1.00 . A A . 7 CGU CD2 1 1 2 384 1 1 7 CGU CG C 10.283 1.150 -3.645 1.00 . A A . 7 CGU CG 1 1 2 385 1 1 7 CGU H H 9.572 0.305 -0.990 1.00 . A A . 7 CGU H 1 1 2 386 1 1 7 CGU HA H 12.182 0.057 -2.103 1.00 . A A . 7 CGU HA 1 1 2 387 1 1 7 CGU HB2 H 11.786 2.461 -2.821 1.00 . A A . 7 CGU HB2 1 1 2 388 1 1 7 CGU HB3 H 10.291 2.429 -1.888 1.00 . A A . 7 CGU HB3 1 1 2 389 1 1 7 CGU HG H 9.777 0.250 -3.312 1.00 . A A . 7 CGU HG 1 1 2 390 1 1 7 CGU N N 10.504 0.059 -0.808 1.00 . A A . 7 CGU N 1 1 2 391 1 1 7 CGU O O 13.715 1.290 -0.500 1.00 . A A . 7 CGU O 1 1 2 392 1 1 7 CGU OE11 O 8.800 1.842 -5.364 1.00 . A A . 7 CGU OE11 1 1 2 393 1 1 7 CGU OE12 O 8.919 3.099 -3.619 1.00 . A A . 7 CGU OE12 1 1 2 394 1 1 7 CGU OE21 O 10.880 0.270 -5.772 1.00 . A A . 7 CGU OE21 1 1 2 395 1 1 7 CGU OE22 O 12.484 1.005 -4.537 1.00 . A A . 7 CGU OE22 1 1 2 396 1 1 8 LYS C C 13.404 1.889 2.349 1.00 . A A . 8 LYS C 1 1 2 397 1 1 8 LYS CA C 12.729 2.919 1.440 1.00 . A A . 8 LYS CA 1 1 2 398 1 1 8 LYS CB C 11.803 3.811 2.269 1.00 . A A . 8 LYS CB 1 1 2 399 1 1 8 LYS CD C 10.054 5.593 2.048 1.00 . A A . 8 LYS CD 1 1 2 400 1 1 8 LYS CE C 9.340 6.495 1.038 1.00 . A A . 8 LYS CE 1 1 2 401 1 1 8 LYS CG C 11.284 4.956 1.393 1.00 . A A . 8 LYS CG 1 1 2 402 1 1 8 LYS H H 10.951 2.320 0.380 1.00 . A A . 8 LYS H 1 1 2 403 1 1 8 LYS HA H 13.483 3.531 0.968 1.00 . A A . 8 LYS HA 1 1 2 404 1 1 8 LYS HB2 H 10.971 3.225 2.633 1.00 . A A . 8 LYS HB2 1 1 2 405 1 1 8 LYS HB3 H 12.350 4.220 3.105 1.00 . A A . 8 LYS HB3 1 1 2 406 1 1 8 LYS HD2 H 9.380 4.815 2.377 1.00 . A A . 8 LYS HD2 1 1 2 407 1 1 8 LYS HD3 H 10.364 6.183 2.898 1.00 . A A . 8 LYS HD3 1 1 2 408 1 1 8 LYS HE2 H 8.441 6.897 1.485 1.00 . A A . 8 LYS HE2 1 1 2 409 1 1 8 LYS HE3 H 9.995 7.308 0.755 1.00 . A A . 8 LYS HE3 1 1 2 410 1 1 8 LYS HG2 H 12.060 5.701 1.281 1.00 . A A . 8 LYS HG2 1 1 2 411 1 1 8 LYS HG3 H 11.015 4.570 0.421 1.00 . A A . 8 LYS HG3 1 1 2 412 1 1 8 LYS HZ1 H 8.067 6.025 -0.565 1.00 . A A . 8 LYS HZ1 1 1 2 413 1 1 8 LYS HZ2 H 8.902 4.678 0.099 1.00 . A A . 8 LYS HZ2 1 1 2 414 1 1 8 LYS HZ3 H 9.727 5.798 -0.890 1.00 . A A . 8 LYS HZ3 1 1 2 415 1 1 8 LYS N N 11.926 2.215 0.394 1.00 . A A . 8 LYS N 1 1 2 416 1 1 8 LYS NZ N 8.986 5.691 -0.170 1.00 . A A . 8 LYS NZ 1 1 2 417 1 1 8 LYS O O 14.556 2.027 2.714 1.00 . A A . 8 LYS O 1 1 2 418 1 1 9 ALA C C 14.379 -0.958 2.853 1.00 . A A . 9 ALA C 1 1 2 419 1 1 9 ALA CA C 13.286 -0.184 3.602 1.00 . A A . 9 ALA CA 1 1 2 420 1 1 9 ALA CB C 12.182 -1.155 4.038 1.00 . A A . 9 ALA CB 1 1 2 421 1 1 9 ALA H H 11.761 0.769 2.406 1.00 . A A . 9 ALA H 1 1 2 422 1 1 9 ALA HA H 13.714 0.286 4.475 1.00 . A A . 9 ALA HA 1 1 2 423 1 1 9 ALA HB1 H 12.068 -1.930 3.292 1.00 . A A . 9 ALA HB1 1 1 2 424 1 1 9 ALA HB2 H 11.252 -0.618 4.144 1.00 . A A . 9 ALA HB2 1 1 2 425 1 1 9 ALA HB3 H 12.449 -1.603 4.984 1.00 . A A . 9 ALA HB3 1 1 2 426 1 1 9 ALA N N 12.694 0.858 2.716 1.00 . A A . 9 ALA N 1 1 2 427 1 1 9 ALA O O 15.367 -1.376 3.433 1.00 . A A . 9 ALA O 1 1 2 428 1 1 10 CGU C C 16.385 -1.001 0.391 1.00 . A A . 10 CGU C 1 1 2 429 1 1 10 CGU CA C 15.229 -1.924 0.812 1.00 . A A . 10 CGU CA 1 1 2 430 1 1 10 CGU CB C 14.554 -2.541 -0.411 1.00 . A A . 10 CGU CB 1 1 2 431 1 1 10 CGU CD1 C 15.003 -3.538 -2.674 1.00 . A A . 10 CGU CD1 1 1 2 432 1 1 10 CGU CD2 C 16.294 -4.341 -0.688 1.00 . A A . 10 CGU CD2 1 1 2 433 1 1 10 CGU CG C 15.624 -3.112 -1.333 1.00 . A A . 10 CGU CG 1 1 2 434 1 1 10 CGU H H 13.416 -0.835 1.114 1.00 . A A . 10 CGU H 1 1 2 435 1 1 10 CGU HA H 15.621 -2.714 1.435 1.00 . A A . 10 CGU HA 1 1 2 436 1 1 10 CGU HB2 H 13.994 -1.782 -0.937 1.00 . A A . 10 CGU HB2 1 1 2 437 1 1 10 CGU HB3 H 13.885 -3.329 -0.096 1.00 . A A . 10 CGU HB3 1 1 2 438 1 1 10 CGU HG H 16.363 -2.349 -1.499 1.00 . A A . 10 CGU HG 1 1 2 439 1 1 10 CGU N N 14.214 -1.166 1.574 1.00 . A A . 10 CGU N 1 1 2 440 1 1 10 CGU O O 17.536 -1.398 0.417 1.00 . A A . 10 CGU O 1 1 2 441 1 1 10 CGU OE11 O 13.983 -2.981 -3.044 1.00 . A A . 10 CGU OE11 1 1 2 442 1 1 10 CGU OE12 O 15.568 -4.419 -3.314 1.00 . A A . 10 CGU OE12 1 1 2 443 1 1 10 CGU OE21 O 15.816 -4.804 0.334 1.00 . A A . 10 CGU OE21 1 1 2 444 1 1 10 CGU OE22 O 17.278 -4.805 -1.243 1.00 . A A . 10 CGU OE22 1 1 2 445 1 1 11 PHE C C 18.192 1.214 0.790 1.00 . A A . 11 PHE C 1 1 2 446 1 1 11 PHE CA C 17.205 1.157 -0.369 1.00 . A A . 11 PHE CA 1 1 2 447 1 1 11 PHE CB C 16.611 2.535 -0.699 1.00 . A A . 11 PHE CB 1 1 2 448 1 1 11 PHE CD1 C 18.114 4.563 -0.749 1.00 . A A . 11 PHE CD1 1 1 2 449 1 1 11 PHE CD2 C 17.214 3.837 1.379 1.00 . A A . 11 PHE CD2 1 1 2 450 1 1 11 PHE CE1 C 18.747 5.637 -0.110 1.00 . A A . 11 PHE CE1 1 1 2 451 1 1 11 PHE CE2 C 17.856 4.902 2.018 1.00 . A A . 11 PHE CE2 1 1 2 452 1 1 11 PHE CG C 17.346 3.661 -0.002 1.00 . A A . 11 PHE CG 1 1 2 453 1 1 11 PHE CZ C 18.619 5.806 1.273 1.00 . A A . 11 PHE CZ 1 1 2 454 1 1 11 PHE H H 15.171 0.542 0.024 1.00 . A A . 11 PHE H 1 1 2 455 1 1 11 PHE HA H 17.714 0.776 -1.236 1.00 . A A . 11 PHE HA 1 1 2 456 1 1 11 PHE HB2 H 16.665 2.692 -1.766 1.00 . A A . 11 PHE HB2 1 1 2 457 1 1 11 PHE HB3 H 15.579 2.549 -0.401 1.00 . A A . 11 PHE HB3 1 1 2 458 1 1 11 PHE HD1 H 18.233 4.419 -1.816 1.00 . A A . 11 PHE HD1 1 1 2 459 1 1 11 PHE HD2 H 16.634 3.135 1.953 1.00 . A A . 11 PHE HD2 1 1 2 460 1 1 11 PHE HE1 H 19.337 6.335 -0.684 1.00 . A A . 11 PHE HE1 1 1 2 461 1 1 11 PHE HE2 H 17.757 5.031 3.086 1.00 . A A . 11 PHE HE2 1 1 2 462 1 1 11 PHE HZ H 19.108 6.635 1.765 1.00 . A A . 11 PHE HZ 1 1 2 463 1 1 11 PHE N N 16.102 0.227 0.023 1.00 . A A . 11 PHE N 1 1 2 464 1 1 11 PHE O O 19.392 1.157 0.606 1.00 . A A . 11 PHE O 1 1 2 465 1 1 12 ALA C C 19.404 0.004 3.172 1.00 . A A . 12 ALA C 1 1 2 466 1 1 12 ALA CA C 18.582 1.290 3.174 1.00 . A A . 12 ALA CA 1 1 2 467 1 1 12 ALA CB C 17.733 1.365 4.446 1.00 . A A . 12 ALA CB 1 1 2 468 1 1 12 ALA H H 16.714 1.278 2.112 1.00 . A A . 12 ALA H 1 1 2 469 1 1 12 ALA HA H 19.242 2.145 3.122 1.00 . A A . 12 ALA HA 1 1 2 470 1 1 12 ALA HB1 H 18.381 1.435 5.308 1.00 . A A . 12 ALA HB1 1 1 2 471 1 1 12 ALA HB2 H 17.122 0.477 4.525 1.00 . A A . 12 ALA HB2 1 1 2 472 1 1 12 ALA HB3 H 17.096 2.237 4.405 1.00 . A A . 12 ALA HB3 1 1 2 473 1 1 12 ALA N N 17.688 1.273 1.991 1.00 . A A . 12 ALA N 1 1 2 474 1 1 12 ALA O O 20.596 0.015 3.399 1.00 . A A . 12 ALA O 1 1 2 475 1 1 13 ARG C C 20.575 -2.368 1.761 1.00 . A A . 13 ARG C 1 1 2 476 1 1 13 ARG CA C 19.513 -2.399 2.866 1.00 . A A . 13 ARG CA 1 1 2 477 1 1 13 ARG CB C 18.524 -3.540 2.601 1.00 . A A . 13 ARG CB 1 1 2 478 1 1 13 ARG CD C 16.473 -4.493 3.686 1.00 . A A . 13 ARG CD 1 1 2 479 1 1 13 ARG CG C 17.904 -4.001 3.926 1.00 . A A . 13 ARG CG 1 1 2 480 1 1 13 ARG CZ C 16.892 -6.696 2.774 1.00 . A A . 13 ARG CZ 1 1 2 481 1 1 13 ARG H H 17.808 -1.089 2.695 1.00 . A A . 13 ARG H 1 1 2 482 1 1 13 ARG HA H 19.996 -2.558 3.819 1.00 . A A . 13 ARG HA 1 1 2 483 1 1 13 ARG HB2 H 17.744 -3.193 1.939 1.00 . A A . 13 ARG HB2 1 1 2 484 1 1 13 ARG HB3 H 19.043 -4.366 2.142 1.00 . A A . 13 ARG HB3 1 1 2 485 1 1 13 ARG HD2 H 16.092 -4.951 4.589 1.00 . A A . 13 ARG HD2 1 1 2 486 1 1 13 ARG HD3 H 15.845 -3.653 3.421 1.00 . A A . 13 ARG HD3 1 1 2 487 1 1 13 ARG HE H 16.126 -5.233 1.679 1.00 . A A . 13 ARG HE 1 1 2 488 1 1 13 ARG HG2 H 18.497 -4.804 4.341 1.00 . A A . 13 ARG HG2 1 1 2 489 1 1 13 ARG HG3 H 17.884 -3.175 4.622 1.00 . A A . 13 ARG HG3 1 1 2 490 1 1 13 ARG HH11 H 18.783 -6.245 2.372 1.00 . A A . 13 ARG HH11 1 1 2 491 1 1 13 ARG HH12 H 18.476 -7.894 2.784 1.00 . A A . 13 ARG HH12 1 1 2 492 1 1 13 ARG HH21 H 15.095 -7.409 3.214 1.00 . A A . 13 ARG HH21 1 1 2 493 1 1 13 ARG HH22 H 16.388 -8.554 3.266 1.00 . A A . 13 ARG HH22 1 1 2 494 1 1 13 ARG N N 18.773 -1.107 2.895 1.00 . A A . 13 ARG N 1 1 2 495 1 1 13 ARG NE N 16.463 -5.491 2.575 1.00 . A A . 13 ARG NE 1 1 2 496 1 1 13 ARG NH1 N 18.145 -6.966 2.633 1.00 . A A . 13 ARG NH1 1 1 2 497 1 1 13 ARG NH2 N 16.063 -7.625 3.109 1.00 . A A . 13 ARG NH2 1 1 2 498 1 1 13 ARG O O 21.707 -2.755 1.971 1.00 . A A . 13 ARG O 1 1 2 499 1 1 14 CGU C C 22.197 -0.713 -0.316 1.00 . A A . 14 CGU C 1 1 2 500 1 1 14 CGU CA C 21.216 -1.876 -0.522 1.00 . A A . 14 CGU CA 1 1 2 501 1 1 14 CGU CB C 20.483 -1.711 -1.862 1.00 . A A . 14 CGU CB 1 1 2 502 1 1 14 CGU CD1 C 18.345 -2.372 -3.006 1.00 . A A . 14 CGU CD1 1 1 2 503 1 1 14 CGU CD2 C 20.122 -4.111 -2.598 1.00 . A A . 14 CGU CD2 1 1 2 504 1 1 14 CGU CG C 19.447 -2.839 -2.035 1.00 . A A . 14 CGU CG 1 1 2 505 1 1 14 CGU H H 19.304 -1.611 0.429 1.00 . A A . 14 CGU H 1 1 2 506 1 1 14 CGU HA H 21.770 -2.804 -0.534 1.00 . A A . 14 CGU HA 1 1 2 507 1 1 14 CGU HB2 H 21.198 -1.763 -2.660 1.00 . A A . 14 CGU HB2 1 1 2 508 1 1 14 CGU HB3 H 19.984 -0.750 -1.898 1.00 . A A . 14 CGU HB3 1 1 2 509 1 1 14 CGU HG H 19.001 -3.076 -1.076 1.00 . A A . 14 CGU HG 1 1 2 510 1 1 14 CGU N N 20.222 -1.917 0.586 1.00 . A A . 14 CGU N 1 1 2 511 1 1 14 CGU O O 23.389 -0.870 -0.487 1.00 . A A . 14 CGU O 1 1 2 512 1 1 14 CGU OE11 O 17.930 -3.162 -3.841 1.00 . A A . 14 CGU OE11 1 1 2 513 1 1 14 CGU OE12 O 17.922 -1.237 -2.887 1.00 . A A . 14 CGU OE12 1 1 2 514 1 1 14 CGU OE21 O 19.410 -5.076 -2.847 1.00 . A A . 14 CGU OE21 1 1 2 515 1 1 14 CGU OE22 O 21.327 -4.105 -2.767 1.00 . A A . 14 CGU OE22 1 1 2 516 1 1 15 LEU C C 23.458 1.421 1.517 1.00 . A A . 15 LEU C 1 1 2 517 1 1 15 LEU CA C 22.640 1.599 0.233 1.00 . A A . 15 LEU CA 1 1 2 518 1 1 15 LEU CB C 21.808 2.892 0.251 1.00 . A A . 15 LEU CB 1 1 2 519 1 1 15 LEU CD1 C 20.366 2.541 -1.774 1.00 . A A . 15 LEU CD1 1 1 2 520 1 1 15 LEU CD2 C 21.208 4.821 -1.221 1.00 . A A . 15 LEU CD2 1 1 2 521 1 1 15 LEU CG C 21.540 3.333 -1.196 1.00 . A A . 15 LEU CG 1 1 2 522 1 1 15 LEU H H 20.755 0.581 0.183 1.00 . A A . 15 LEU H 1 1 2 523 1 1 15 LEU HA H 23.327 1.630 -0.598 1.00 . A A . 15 LEU HA 1 1 2 524 1 1 15 LEU HB2 H 20.862 2.711 0.750 1.00 . A A . 15 LEU HB2 1 1 2 525 1 1 15 LEU HB3 H 22.342 3.670 0.769 1.00 . A A . 15 LEU HB3 1 1 2 526 1 1 15 LEU HD11 H 20.656 1.511 -1.905 1.00 . A A . 15 LEU HD11 1 1 2 527 1 1 15 LEU HD12 H 20.087 2.961 -2.729 1.00 . A A . 15 LEU HD12 1 1 2 528 1 1 15 LEU HD13 H 19.528 2.597 -1.099 1.00 . A A . 15 LEU HD13 1 1 2 529 1 1 15 LEU HD21 H 20.345 4.984 -1.849 1.00 . A A . 15 LEU HD21 1 1 2 530 1 1 15 LEU HD22 H 22.048 5.368 -1.615 1.00 . A A . 15 LEU HD22 1 1 2 531 1 1 15 LEU HD23 H 20.996 5.158 -0.219 1.00 . A A . 15 LEU HD23 1 1 2 532 1 1 15 LEU HG H 22.412 3.151 -1.797 1.00 . A A . 15 LEU HG 1 1 2 533 1 1 15 LEU N N 21.720 0.453 0.044 1.00 . A A . 15 LEU N 1 1 2 534 1 1 15 LEU O O 24.635 1.734 1.552 1.00 . A A . 15 LEU O 1 1 2 535 1 1 16 ALA C C 24.653 -0.478 3.564 1.00 . A A . 16 ALA C 1 1 2 536 1 1 16 ALA CA C 23.673 0.675 3.808 1.00 . A A . 16 ALA CA 1 1 2 537 1 1 16 ALA CB C 22.742 0.326 4.972 1.00 . A A . 16 ALA CB 1 1 2 538 1 1 16 ALA H H 21.932 0.611 2.522 1.00 . A A . 16 ALA H 1 1 2 539 1 1 16 ALA HA H 24.228 1.574 4.042 1.00 . A A . 16 ALA HA 1 1 2 540 1 1 16 ALA HB1 H 21.953 1.060 5.034 1.00 . A A . 16 ALA HB1 1 1 2 541 1 1 16 ALA HB2 H 23.304 0.324 5.894 1.00 . A A . 16 ALA HB2 1 1 2 542 1 1 16 ALA HB3 H 22.313 -0.651 4.809 1.00 . A A . 16 ALA HB3 1 1 2 543 1 1 16 ALA N N 22.876 0.890 2.562 1.00 . A A . 16 ALA N 1 1 2 544 1 1 16 ALA O O 25.707 -0.554 4.166 1.00 . A A . 16 ALA O 1 1 2 545 1 1 17 ASN C C 26.269 -2.068 1.342 1.00 . A A . 17 ASN C 1 1 2 546 1 1 17 ASN CA C 25.213 -2.520 2.359 1.00 . A A . 17 ASN CA 1 1 2 547 1 1 17 ASN CB C 24.384 -3.690 1.793 1.00 . A A . 17 ASN CB 1 1 2 548 1 1 17 ASN CG C 25.271 -4.912 1.521 1.00 . A A . 17 ASN CG 1 1 2 549 1 1 17 ASN H H 23.454 -1.273 2.195 1.00 . A A . 17 ASN H 1 1 2 550 1 1 17 ASN HA H 25.709 -2.838 3.266 1.00 . A A . 17 ASN HA 1 1 2 551 1 1 17 ASN HB2 H 23.624 -3.968 2.509 1.00 . A A . 17 ASN HB2 1 1 2 552 1 1 17 ASN HB3 H 23.911 -3.384 0.873 1.00 . A A . 17 ASN HB3 1 1 2 553 1 1 17 ASN HD21 H 26.989 -3.913 1.654 1.00 . A A . 17 ASN HD21 1 1 2 554 1 1 17 ASN HD22 H 27.123 -5.582 1.323 1.00 . A A . 17 ASN HD22 1 1 2 555 1 1 17 ASN N N 24.309 -1.369 2.669 1.00 . A A . 17 ASN N 1 1 2 556 1 1 17 ASN ND2 N 26.566 -4.793 1.497 1.00 . A A . 17 ASN ND2 1 1 2 557 1 1 17 ASN O O 27.408 -2.487 1.403 1.00 . A A . 17 ASN O 1 1 2 558 1 1 17 ASN OD1 O 24.768 -5.996 1.318 1.00 . A A . 17 ASN OD1 1 1 2 559 1 1 18 TYR C C 27.922 0.181 0.077 1.00 . A A . 18 TYR C 1 1 2 560 1 1 18 TYR CA C 26.899 -0.745 -0.598 1.00 . A A . 18 TYR CA 1 1 2 561 1 1 18 TYR CB C 26.165 0.022 -1.703 1.00 . A A . 18 TYR CB 1 1 2 562 1 1 18 TYR CD1 C 24.390 -0.361 -3.455 1.00 . A A . 18 TYR CD1 1 1 2 563 1 1 18 TYR CD2 C 25.247 -2.287 -2.253 1.00 . A A . 18 TYR CD2 1 1 2 564 1 1 18 TYR CE1 C 23.534 -1.198 -4.181 1.00 . A A . 18 TYR CE1 1 1 2 565 1 1 18 TYR CE2 C 24.390 -3.119 -2.984 1.00 . A A . 18 TYR CE2 1 1 2 566 1 1 18 TYR CG C 25.249 -0.902 -2.488 1.00 . A A . 18 TYR CG 1 1 2 567 1 1 18 TYR CZ C 23.535 -2.574 -3.944 1.00 . A A . 18 TYR CZ 1 1 2 568 1 1 18 TYR H H 24.983 -0.894 0.373 1.00 . A A . 18 TYR H 1 1 2 569 1 1 18 TYR HA H 27.416 -1.591 -1.026 1.00 . A A . 18 TYR HA 1 1 2 570 1 1 18 TYR HB2 H 25.576 0.810 -1.257 1.00 . A A . 18 TYR HB2 1 1 2 571 1 1 18 TYR HB3 H 26.888 0.457 -2.370 1.00 . A A . 18 TYR HB3 1 1 2 572 1 1 18 TYR HD1 H 24.388 0.702 -3.641 1.00 . A A . 18 TYR HD1 1 1 2 573 1 1 18 TYR HD2 H 25.904 -2.713 -1.513 1.00 . A A . 18 TYR HD2 1 1 2 574 1 1 18 TYR HE1 H 22.873 -0.780 -4.925 1.00 . A A . 18 TYR HE1 1 1 2 575 1 1 18 TYR HE2 H 24.388 -4.183 -2.803 1.00 . A A . 18 TYR HE2 1 1 2 576 1 1 18 TYR HH H 22.085 -3.812 -4.012 1.00 . A A . 18 TYR HH 1 1 2 577 1 1 18 TYR N N 25.907 -1.221 0.411 1.00 . A A . 18 TYR N 1 1 2 578 1 1 18 TYR O O 29.111 0.034 -0.108 1.00 . A A . 18 TYR O 1 1 2 579 1 1 18 TYR OH O 22.684 -3.394 -4.651 1.00 . A A . 18 TYR OH 1 1 2 580 1 1 19 NH2 HN1 H 26.544 1.271 1.017 1.00 . A A . 19 NH2 HN1 1 1 2 581 1 1 19 NH2 HN2 H 28.171 1.734 1.289 1.00 . A A . 19 NH2 HN2 1 1 2 582 1 1 19 NH2 N N 27.511 1.141 0.859 1.00 . A A . 19 NH2 N 1 1 3 583 1 1 1 GLY C C 2.795 1.608 1.159 1.00 . A A . 1 GLY C 1 1 3 584 1 1 1 GLY CA C 1.921 2.817 0.821 1.00 . A A . 1 GLY CA 1 1 3 585 1 1 1 GLY H1 H 1.595 4.411 2.128 1.00 . A A . 1 GLY H1 1 1 3 586 1 1 1 GLY H2 H 2.791 4.713 0.951 1.00 . A A . 1 GLY H2 1 1 3 587 1 1 1 GLY H3 H 3.128 3.696 2.276 1.00 . A A . 1 GLY H3 1 1 3 588 1 1 1 GLY HA2 H 0.894 2.599 1.076 1.00 . A A . 1 GLY HA2 1 1 3 589 1 1 1 GLY HA3 H 1.993 3.029 -0.235 1.00 . A A . 1 GLY HA3 1 1 3 590 1 1 1 GLY N N 2.392 3.997 1.604 1.00 . A A . 1 GLY N 1 1 3 591 1 1 1 GLY O O 3.781 1.726 1.861 1.00 . A A . 1 GLY O 1 1 3 592 1 1 2 GLU C C 4.493 -0.790 0.029 1.00 . A A . 2 GLU C 1 1 3 593 1 1 2 GLU CA C 3.255 -0.771 0.932 1.00 . A A . 2 GLU CA 1 1 3 594 1 1 2 GLU CB C 2.404 -2.026 0.668 1.00 . A A . 2 GLU CB 1 1 3 595 1 1 2 GLU CD C 1.704 -1.208 -1.615 1.00 . A A . 2 GLU CD 1 1 3 596 1 1 2 GLU CG C 1.210 -1.698 -0.250 1.00 . A A . 2 GLU CG 1 1 3 597 1 1 2 GLU H H 1.659 0.395 0.079 1.00 . A A . 2 GLU H 1 1 3 598 1 1 2 GLU HA H 3.571 -0.766 1.966 1.00 . A A . 2 GLU HA 1 1 3 599 1 1 2 GLU HB2 H 3.017 -2.781 0.196 1.00 . A A . 2 GLU HB2 1 1 3 600 1 1 2 GLU HB3 H 2.033 -2.409 1.608 1.00 . A A . 2 GLU HB3 1 1 3 601 1 1 2 GLU HG2 H 0.614 -2.588 -0.389 1.00 . A A . 2 GLU HG2 1 1 3 602 1 1 2 GLU HG3 H 0.602 -0.933 0.208 1.00 . A A . 2 GLU HG3 1 1 3 603 1 1 2 GLU N N 2.450 0.456 0.656 1.00 . A A . 2 GLU N 1 1 3 604 1 1 2 GLU O O 5.562 -1.206 0.429 1.00 . A A . 2 GLU O 1 1 3 605 1 1 2 GLU OE1 O 1.961 -0.019 -1.740 1.00 . A A . 2 GLU OE1 1 1 3 606 1 1 2 GLU OE2 O 1.818 -2.026 -2.508 1.00 . A A . 2 GLU OE2 1 1 3 607 1 1 3 CGU C C 6.582 0.650 -1.620 1.00 . A A . 3 CGU C 1 1 3 608 1 1 3 CGU CA C 5.523 -0.346 -2.116 1.00 . A A . 3 CGU CA 1 1 3 609 1 1 3 CGU CB C 5.052 0.068 -3.526 1.00 . A A . 3 CGU CB 1 1 3 610 1 1 3 CGU CD1 C 6.866 -1.336 -4.577 1.00 . A A . 3 CGU CD1 1 1 3 611 1 1 3 CGU CD2 C 5.849 0.507 -5.889 1.00 . A A . 3 CGU CD2 1 1 3 612 1 1 3 CGU CG C 6.257 0.068 -4.478 1.00 . A A . 3 CGU CG 1 1 3 613 1 1 3 CGU H H 3.475 -0.023 -1.498 1.00 . A A . 3 CGU H 1 1 3 614 1 1 3 CGU HA H 5.964 -1.338 -2.145 1.00 . A A . 3 CGU HA 1 1 3 615 1 1 3 CGU HB2 H 4.639 1.066 -3.481 1.00 . A A . 3 CGU HB2 1 1 3 616 1 1 3 CGU HB3 H 4.289 -0.617 -3.894 1.00 . A A . 3 CGU HB3 1 1 3 617 1 1 3 CGU HG H 7.000 0.749 -4.099 1.00 . A A . 3 CGU HG 1 1 3 618 1 1 3 CGU N N 4.358 -0.349 -1.188 1.00 . A A . 3 CGU N 1 1 3 619 1 1 3 CGU O O 7.769 0.434 -1.780 1.00 . A A . 3 CGU O 1 1 3 620 1 1 3 CGU OE11 O 6.142 -2.301 -4.405 1.00 . A A . 3 CGU OE11 1 1 3 621 1 1 3 CGU OE12 O 8.054 -1.415 -4.853 1.00 . A A . 3 CGU OE12 1 1 3 622 1 1 3 CGU OE21 O 6.665 0.338 -6.788 1.00 . A A . 3 CGU OE21 1 1 3 623 1 1 3 CGU OE22 O 4.749 1.005 -6.053 1.00 . A A . 3 CGU OE22 1 1 3 624 1 1 4 CGU C C 8.133 2.110 0.442 1.00 . A A . 4 CGU C 1 1 3 625 1 1 4 CGU CA C 7.142 2.752 -0.534 1.00 . A A . 4 CGU CA 1 1 3 626 1 1 4 CGU CB C 6.390 3.868 0.186 1.00 . A A . 4 CGU CB 1 1 3 627 1 1 4 CGU CD1 C 6.289 6.280 -0.541 1.00 . A A . 4 CGU CD1 1 1 3 628 1 1 4 CGU CD2 C 4.279 4.811 -0.766 1.00 . A A . 4 CGU CD2 1 1 3 629 1 1 4 CGU CG C 5.808 4.850 -0.841 1.00 . A A . 4 CGU CG 1 1 3 630 1 1 4 CGU H H 5.206 1.896 -0.916 1.00 . A A . 4 CGU H 1 1 3 631 1 1 4 CGU HA H 7.679 3.169 -1.373 1.00 . A A . 4 CGU HA 1 1 3 632 1 1 4 CGU HB2 H 7.069 4.390 0.839 1.00 . A A . 4 CGU HB2 1 1 3 633 1 1 4 CGU HB3 H 5.587 3.439 0.771 1.00 . A A . 4 CGU HB3 1 1 3 634 1 1 4 CGU HG H 6.125 4.565 -1.833 1.00 . A A . 4 CGU HG 1 1 3 635 1 1 4 CGU N N 6.164 1.740 -1.028 1.00 . A A . 4 CGU N 1 1 3 636 1 1 4 CGU O O 9.331 2.125 0.224 1.00 . A A . 4 CGU O 1 1 3 637 1 1 4 CGU OE11 O 6.457 6.603 0.627 1.00 . A A . 4 CGU OE11 1 1 3 638 1 1 4 CGU OE12 O 6.488 7.028 -1.484 1.00 . A A . 4 CGU OE12 1 1 3 639 1 1 4 CGU OE21 O 3.732 5.416 0.141 1.00 . A A . 4 CGU OE21 1 1 3 640 1 1 4 CGU OE22 O 3.680 4.159 -1.603 1.00 . A A . 4 CGU OE22 1 1 3 641 1 1 5 LEU C C 9.409 -0.140 1.827 1.00 . A A . 5 LEU C 1 1 3 642 1 1 5 LEU CA C 8.554 0.922 2.517 1.00 . A A . 5 LEU CA 1 1 3 643 1 1 5 LEU CB C 7.725 0.321 3.654 1.00 . A A . 5 LEU CB 1 1 3 644 1 1 5 LEU CD1 C 7.814 -2.128 3.209 1.00 . A A . 5 LEU CD1 1 1 3 645 1 1 5 LEU CD2 C 5.718 -1.096 4.083 1.00 . A A . 5 LEU CD2 1 1 3 646 1 1 5 LEU CG C 6.927 -0.885 3.169 1.00 . A A . 5 LEU CG 1 1 3 647 1 1 5 LEU H H 6.679 1.559 1.683 1.00 . A A . 5 LEU H 1 1 3 648 1 1 5 LEU HA H 9.207 1.667 2.924 1.00 . A A . 5 LEU HA 1 1 3 649 1 1 5 LEU HB2 H 8.388 0.012 4.437 1.00 . A A . 5 LEU HB2 1 1 3 650 1 1 5 LEU HB3 H 7.044 1.071 4.034 1.00 . A A . 5 LEU HB3 1 1 3 651 1 1 5 LEU HD11 H 7.463 -2.794 3.978 1.00 . A A . 5 LEU HD11 1 1 3 652 1 1 5 LEU HD12 H 8.833 -1.836 3.423 1.00 . A A . 5 LEU HD12 1 1 3 653 1 1 5 LEU HD13 H 7.776 -2.625 2.252 1.00 . A A . 5 LEU HD13 1 1 3 654 1 1 5 LEU HD21 H 5.004 -0.302 3.927 1.00 . A A . 5 LEU HD21 1 1 3 655 1 1 5 LEU HD22 H 6.041 -1.092 5.114 1.00 . A A . 5 LEU HD22 1 1 3 656 1 1 5 LEU HD23 H 5.257 -2.046 3.855 1.00 . A A . 5 LEU HD23 1 1 3 657 1 1 5 LEU HG H 6.590 -0.711 2.162 1.00 . A A . 5 LEU HG 1 1 3 658 1 1 5 LEU N N 7.645 1.554 1.523 1.00 . A A . 5 LEU N 1 1 3 659 1 1 5 LEU O O 10.613 -0.180 1.989 1.00 . A A . 5 LEU O 1 1 3 660 1 1 6 ALA C C 10.766 -1.382 -0.372 1.00 . A A . 6 ALA C 1 1 3 661 1 1 6 ALA CA C 9.572 -2.038 0.330 1.00 . A A . 6 ALA CA 1 1 3 662 1 1 6 ALA CB C 8.666 -2.714 -0.707 1.00 . A A . 6 ALA CB 1 1 3 663 1 1 6 ALA H H 7.829 -0.922 0.935 1.00 . A A . 6 ALA H 1 1 3 664 1 1 6 ALA HA H 9.928 -2.775 1.036 1.00 . A A . 6 ALA HA 1 1 3 665 1 1 6 ALA HB1 H 8.313 -3.656 -0.316 1.00 . A A . 6 ALA HB1 1 1 3 666 1 1 6 ALA HB2 H 9.223 -2.888 -1.616 1.00 . A A . 6 ALA HB2 1 1 3 667 1 1 6 ALA HB3 H 7.823 -2.074 -0.919 1.00 . A A . 6 ALA HB3 1 1 3 668 1 1 6 ALA N N 8.799 -0.986 1.049 1.00 . A A . 6 ALA N 1 1 3 669 1 1 6 ALA O O 11.877 -1.869 -0.322 1.00 . A A . 6 ALA O 1 1 3 670 1 1 7 CGU C C 12.520 1.168 -0.688 1.00 . A A . 7 CGU C 1 1 3 671 1 1 7 CGU CA C 11.634 0.447 -1.714 1.00 . A A . 7 CGU CA 1 1 3 672 1 1 7 CGU CB C 11.027 1.484 -2.658 1.00 . A A . 7 CGU CB 1 1 3 673 1 1 7 CGU CD1 C 9.138 1.792 -4.300 1.00 . A A . 7 CGU CD1 1 1 3 674 1 1 7 CGU CD2 C 11.002 0.206 -4.844 1.00 . A A . 7 CGU CD2 1 1 3 675 1 1 7 CGU CG C 10.136 0.781 -3.704 1.00 . A A . 7 CGU CG 1 1 3 676 1 1 7 CGU H H 9.630 0.109 -1.028 1.00 . A A . 7 CGU H 1 1 3 677 1 1 7 CGU HA H 12.223 -0.258 -2.282 1.00 . A A . 7 CGU HA 1 1 3 678 1 1 7 CGU HB2 H 11.819 2.011 -3.161 1.00 . A A . 7 CGU HB2 1 1 3 679 1 1 7 CGU HB3 H 10.437 2.193 -2.082 1.00 . A A . 7 CGU HB3 1 1 3 680 1 1 7 CGU HG H 9.588 -0.030 -3.238 1.00 . A A . 7 CGU HG 1 1 3 681 1 1 7 CGU N N 10.534 -0.266 -1.014 1.00 . A A . 7 CGU N 1 1 3 682 1 1 7 CGU O O 13.722 0.985 -0.650 1.00 . A A . 7 CGU O 1 1 3 683 1 1 7 CGU OE11 O 8.792 1.645 -5.464 1.00 . A A . 7 CGU OE11 1 1 3 684 1 1 7 CGU OE12 O 8.721 2.684 -3.582 1.00 . A A . 7 CGU OE12 1 1 3 685 1 1 7 CGU OE21 O 10.432 -0.394 -5.748 1.00 . A A . 7 CGU OE21 1 1 3 686 1 1 7 CGU OE22 O 12.209 0.370 -4.799 1.00 . A A . 7 CGU OE22 1 1 3 687 1 1 8 LYS C C 13.449 1.794 2.099 1.00 . A A . 8 LYS C 1 1 3 688 1 1 8 LYS CA C 12.708 2.754 1.158 1.00 . A A . 8 LYS CA 1 1 3 689 1 1 8 LYS CB C 11.746 3.632 1.961 1.00 . A A . 8 LYS CB 1 1 3 690 1 1 8 LYS CD C 10.052 5.465 1.709 1.00 . A A . 8 LYS CD 1 1 3 691 1 1 8 LYS CE C 9.669 6.708 0.898 1.00 . A A . 8 LYS CE 1 1 3 692 1 1 8 LYS CG C 11.300 4.818 1.097 1.00 . A A . 8 LYS CG 1 1 3 693 1 1 8 LYS H H 10.954 2.123 0.077 1.00 . A A . 8 LYS H 1 1 3 694 1 1 8 LYS HA H 13.429 3.386 0.658 1.00 . A A . 8 LYS HA 1 1 3 695 1 1 8 LYS HB2 H 10.886 3.047 2.251 1.00 . A A . 8 LYS HB2 1 1 3 696 1 1 8 LYS HB3 H 12.247 4.001 2.845 1.00 . A A . 8 LYS HB3 1 1 3 697 1 1 8 LYS HD2 H 9.237 4.757 1.691 1.00 . A A . 8 LYS HD2 1 1 3 698 1 1 8 LYS HD3 H 10.258 5.752 2.729 1.00 . A A . 8 LYS HD3 1 1 3 699 1 1 8 LYS HE2 H 10.516 7.379 0.846 1.00 . A A . 8 LYS HE2 1 1 3 700 1 1 8 LYS HE3 H 9.385 6.412 -0.103 1.00 . A A . 8 LYS HE3 1 1 3 701 1 1 8 LYS HG2 H 12.098 5.546 1.049 1.00 . A A . 8 LYS HG2 1 1 3 702 1 1 8 LYS HG3 H 11.071 4.469 0.101 1.00 . A A . 8 LYS HG3 1 1 3 703 1 1 8 LYS HZ1 H 7.614 7.011 1.189 1.00 . A A . 8 LYS HZ1 1 1 3 704 1 1 8 LYS HZ2 H 8.567 8.420 1.352 1.00 . A A . 8 LYS HZ2 1 1 3 705 1 1 8 LYS HZ3 H 8.565 7.251 2.584 1.00 . A A . 8 LYS HZ3 1 1 3 706 1 1 8 LYS N N 11.926 1.994 0.136 1.00 . A A . 8 LYS N 1 1 3 707 1 1 8 LYS NZ N 8.522 7.400 1.557 1.00 . A A . 8 LYS NZ 1 1 3 708 1 1 8 LYS O O 14.598 2.009 2.434 1.00 . A A . 8 LYS O 1 1 3 709 1 1 9 ALA C C 14.560 -0.999 2.665 1.00 . A A . 9 ALA C 1 1 3 710 1 1 9 ALA CA C 13.488 -0.225 3.439 1.00 . A A . 9 ALA CA 1 1 3 711 1 1 9 ALA CB C 12.457 -1.203 4.008 1.00 . A A . 9 ALA CB 1 1 3 712 1 1 9 ALA H H 11.878 0.574 2.238 1.00 . A A . 9 ALA H 1 1 3 713 1 1 9 ALA HA H 13.955 0.317 4.249 1.00 . A A . 9 ALA HA 1 1 3 714 1 1 9 ALA HB1 H 11.672 -0.651 4.504 1.00 . A A . 9 ALA HB1 1 1 3 715 1 1 9 ALA HB2 H 12.936 -1.862 4.717 1.00 . A A . 9 ALA HB2 1 1 3 716 1 1 9 ALA HB3 H 12.032 -1.787 3.204 1.00 . A A . 9 ALA HB3 1 1 3 717 1 1 9 ALA N N 12.809 0.738 2.523 1.00 . A A . 9 ALA N 1 1 3 718 1 1 9 ALA O O 15.658 -1.215 3.147 1.00 . A A . 9 ALA O 1 1 3 719 1 1 10 CGU C C 16.415 -1.228 0.301 1.00 . A A . 10 CGU C 1 1 3 720 1 1 10 CGU CA C 15.251 -2.166 0.675 1.00 . A A . 10 CGU CA 1 1 3 721 1 1 10 CGU CB C 14.567 -2.733 -0.576 1.00 . A A . 10 CGU CB 1 1 3 722 1 1 10 CGU CD1 C 15.084 -3.348 -2.969 1.00 . A A . 10 CGU CD1 1 1 3 723 1 1 10 CGU CD2 C 16.219 -4.564 -1.108 1.00 . A A . 10 CGU CD2 1 1 3 724 1 1 10 CGU CG C 15.639 -3.201 -1.547 1.00 . A A . 10 CGU CG 1 1 3 725 1 1 10 CGU H H 13.378 -1.231 1.083 1.00 . A A . 10 CGU H 1 1 3 726 1 1 10 CGU HA H 15.634 -2.980 1.273 1.00 . A A . 10 CGU HA 1 1 3 727 1 1 10 CGU HB2 H 13.968 -1.968 -1.044 1.00 . A A . 10 CGU HB2 1 1 3 728 1 1 10 CGU HB3 H 13.936 -3.566 -0.299 1.00 . A A . 10 CGU HB3 1 1 3 729 1 1 10 CGU HG H 16.416 -2.464 -1.552 1.00 . A A . 10 CGU HG 1 1 3 730 1 1 10 CGU N N 14.256 -1.415 1.465 1.00 . A A . 10 CGU N 1 1 3 731 1 1 10 CGU O O 17.570 -1.601 0.384 1.00 . A A . 10 CGU O 1 1 3 732 1 1 10 CGU OE11 O 15.897 -3.524 -3.872 1.00 . A A . 10 CGU OE11 1 1 3 733 1 1 10 CGU OE12 O 13.878 -3.292 -3.138 1.00 . A A . 10 CGU OE12 1 1 3 734 1 1 10 CGU OE21 O 16.064 -4.925 0.047 1.00 . A A . 10 CGU OE21 1 1 3 735 1 1 10 CGU OE22 O 16.823 -5.222 -1.948 1.00 . A A . 10 CGU OE22 1 1 3 736 1 1 11 PHE C C 18.030 1.221 0.836 1.00 . A A . 11 PHE C 1 1 3 737 1 1 11 PHE CA C 17.217 0.954 -0.428 1.00 . A A . 11 PHE CA 1 1 3 738 1 1 11 PHE CB C 16.579 2.242 -0.983 1.00 . A A . 11 PHE CB 1 1 3 739 1 1 11 PHE CD1 C 17.160 3.826 0.902 1.00 . A A . 11 PHE CD1 1 1 3 740 1 1 11 PHE CD2 C 17.940 4.339 -1.331 1.00 . A A . 11 PHE CD2 1 1 3 741 1 1 11 PHE CE1 C 17.747 5.001 1.382 1.00 . A A . 11 PHE CE1 1 1 3 742 1 1 11 PHE CE2 C 18.532 5.514 -0.849 1.00 . A A . 11 PHE CE2 1 1 3 743 1 1 11 PHE CG C 17.255 3.492 -0.453 1.00 . A A . 11 PHE CG 1 1 3 744 1 1 11 PHE CZ C 18.433 5.846 0.506 1.00 . A A . 11 PHE CZ 1 1 3 745 1 1 11 PHE H H 15.188 0.288 -0.115 1.00 . A A . 11 PHE H 1 1 3 746 1 1 11 PHE HA H 17.865 0.526 -1.178 1.00 . A A . 11 PHE HA 1 1 3 747 1 1 11 PHE HB2 H 16.653 2.235 -2.060 1.00 . A A . 11 PHE HB2 1 1 3 748 1 1 11 PHE HB3 H 15.538 2.263 -0.708 1.00 . A A . 11 PHE HB3 1 1 3 749 1 1 11 PHE HD1 H 16.639 3.171 1.579 1.00 . A A . 11 PHE HD1 1 1 3 750 1 1 11 PHE HD2 H 18.031 4.077 -2.378 1.00 . A A . 11 PHE HD2 1 1 3 751 1 1 11 PHE HE1 H 17.672 5.253 2.429 1.00 . A A . 11 PHE HE1 1 1 3 752 1 1 11 PHE HE2 H 19.061 6.169 -1.527 1.00 . A A . 11 PHE HE2 1 1 3 753 1 1 11 PHE HZ H 18.887 6.754 0.875 1.00 . A A . 11 PHE HZ 1 1 3 754 1 1 11 PHE N N 16.125 -0.008 -0.081 1.00 . A A . 11 PHE N 1 1 3 755 1 1 11 PHE O O 19.232 1.387 0.793 1.00 . A A . 11 PHE O 1 1 3 756 1 1 12 ALA C C 19.126 0.378 3.469 1.00 . A A . 12 ALA C 1 1 3 757 1 1 12 ALA CA C 18.091 1.482 3.244 1.00 . A A . 12 ALA CA 1 1 3 758 1 1 12 ALA CB C 17.079 1.490 4.394 1.00 . A A . 12 ALA CB 1 1 3 759 1 1 12 ALA H H 16.405 1.089 1.969 1.00 . A A . 12 ALA H 1 1 3 760 1 1 12 ALA HA H 18.593 2.438 3.201 1.00 . A A . 12 ALA HA 1 1 3 761 1 1 12 ALA HB1 H 17.604 1.476 5.338 1.00 . A A . 12 ALA HB1 1 1 3 762 1 1 12 ALA HB2 H 16.445 0.620 4.322 1.00 . A A . 12 ALA HB2 1 1 3 763 1 1 12 ALA HB3 H 16.472 2.382 4.333 1.00 . A A . 12 ALA HB3 1 1 3 764 1 1 12 ALA N N 17.376 1.241 1.964 1.00 . A A . 12 ALA N 1 1 3 765 1 1 12 ALA O O 20.117 0.580 4.130 1.00 . A A . 12 ALA O 1 1 3 766 1 1 13 ARG C C 21.041 -1.762 2.115 1.00 . A A . 13 ARG C 1 1 3 767 1 1 13 ARG CA C 19.892 -1.893 3.125 1.00 . A A . 13 ARG CA 1 1 3 768 1 1 13 ARG CB C 19.184 -3.237 2.927 1.00 . A A . 13 ARG CB 1 1 3 769 1 1 13 ARG CD C 17.174 -4.507 3.721 1.00 . A A . 13 ARG CD 1 1 3 770 1 1 13 ARG CG C 18.268 -3.516 4.125 1.00 . A A . 13 ARG CG 1 1 3 771 1 1 13 ARG CZ C 17.085 -6.708 2.722 1.00 . A A . 13 ARG CZ 1 1 3 772 1 1 13 ARG H H 18.093 -0.941 2.391 1.00 . A A . 13 ARG H 1 1 3 773 1 1 13 ARG HA H 20.292 -1.842 4.128 1.00 . A A . 13 ARG HA 1 1 3 774 1 1 13 ARG HB2 H 18.595 -3.203 2.022 1.00 . A A . 13 ARG HB2 1 1 3 775 1 1 13 ARG HB3 H 19.920 -4.023 2.849 1.00 . A A . 13 ARG HB3 1 1 3 776 1 1 13 ARG HD2 H 16.672 -4.870 4.608 1.00 . A A . 13 ARG HD2 1 1 3 777 1 1 13 ARG HD3 H 16.458 -4.011 3.080 1.00 . A A . 13 ARG HD3 1 1 3 778 1 1 13 ARG HE H 18.726 -5.609 2.708 1.00 . A A . 13 ARG HE 1 1 3 779 1 1 13 ARG HG2 H 18.851 -3.931 4.934 1.00 . A A . 13 ARG HG2 1 1 3 780 1 1 13 ARG HG3 H 17.811 -2.592 4.450 1.00 . A A . 13 ARG HG3 1 1 3 781 1 1 13 ARG HH11 H 17.664 -7.676 4.355 1.00 . A A . 13 ARG HH11 1 1 3 782 1 1 13 ARG HH12 H 16.565 -8.529 3.329 1.00 . A A . 13 ARG HH12 1 1 3 783 1 1 13 ARG HH21 H 16.352 -5.953 1.026 1.00 . A A . 13 ARG HH21 1 1 3 784 1 1 13 ARG HH22 H 15.821 -7.555 1.442 1.00 . A A . 13 ARG HH22 1 1 3 785 1 1 13 ARG N N 18.906 -0.789 2.926 1.00 . A A . 13 ARG N 1 1 3 786 1 1 13 ARG NE N 17.789 -5.654 2.990 1.00 . A A . 13 ARG NE 1 1 3 787 1 1 13 ARG NH1 N 17.106 -7.716 3.530 1.00 . A A . 13 ARG NH1 1 1 3 788 1 1 13 ARG NH2 N 16.365 -6.746 1.651 1.00 . A A . 13 ARG NH2 1 1 3 789 1 1 13 ARG O O 22.188 -1.556 2.483 1.00 . A A . 13 ARG O 1 1 3 790 1 1 14 CGU C C 22.587 -0.483 -0.073 1.00 . A A . 14 CGU C 1 1 3 791 1 1 14 CGU CA C 21.798 -1.791 -0.195 1.00 . A A . 14 CGU CA 1 1 3 792 1 1 14 CGU CB C 21.136 -1.886 -1.571 1.00 . A A . 14 CGU CB 1 1 3 793 1 1 14 CGU CD1 C 19.334 -3.565 -1.256 1.00 . A A . 14 CGU CD1 1 1 3 794 1 1 14 CGU CD2 C 20.716 -3.656 -3.327 1.00 . A A . 14 CGU CD2 1 1 3 795 1 1 14 CGU CG C 20.732 -3.342 -1.818 1.00 . A A . 14 CGU CG 1 1 3 796 1 1 14 CGU H H 19.820 -2.065 0.579 1.00 . A A . 14 CGU H 1 1 3 797 1 1 14 CGU HA H 22.479 -2.619 -0.080 1.00 . A A . 14 CGU HA 1 1 3 798 1 1 14 CGU HB2 H 21.823 -1.565 -2.331 1.00 . A A . 14 CGU HB2 1 1 3 799 1 1 14 CGU HB3 H 20.252 -1.262 -1.595 1.00 . A A . 14 CGU HB3 1 1 3 800 1 1 14 CGU HG H 21.426 -3.995 -1.315 1.00 . A A . 14 CGU HG 1 1 3 801 1 1 14 CGU N N 20.743 -1.888 0.848 1.00 . A A . 14 CGU N 1 1 3 802 1 1 14 CGU O O 23.798 -0.486 -0.146 1.00 . A A . 14 CGU O 1 1 3 803 1 1 14 CGU OE11 O 18.406 -3.045 -1.845 1.00 . A A . 14 CGU OE11 1 1 3 804 1 1 14 CGU OE12 O 19.211 -4.253 -0.258 1.00 . A A . 14 CGU OE12 1 1 3 805 1 1 14 CGU OE21 O 19.701 -4.159 -3.808 1.00 . A A . 14 CGU OE21 1 1 3 806 1 1 14 CGU OE22 O 21.712 -3.396 -3.977 1.00 . A A . 14 CGU OE22 1 1 3 807 1 1 15 LEU C C 23.362 2.021 1.581 1.00 . A A . 15 LEU C 1 1 3 808 1 1 15 LEU CA C 22.681 1.917 0.209 1.00 . A A . 15 LEU CA 1 1 3 809 1 1 15 LEU CB C 21.713 3.087 -0.033 1.00 . A A . 15 LEU CB 1 1 3 810 1 1 15 LEU CD1 C 20.359 2.278 -1.982 1.00 . A A . 15 LEU CD1 1 1 3 811 1 1 15 LEU CD2 C 21.040 4.670 -1.843 1.00 . A A . 15 LEU CD2 1 1 3 812 1 1 15 LEU CG C 21.464 3.238 -1.541 1.00 . A A . 15 LEU CG 1 1 3 813 1 1 15 LEU H H 20.954 0.637 0.160 1.00 . A A . 15 LEU H 1 1 3 814 1 1 15 LEU HA H 23.454 1.931 -0.548 1.00 . A A . 15 LEU HA 1 1 3 815 1 1 15 LEU HB2 H 20.770 2.890 0.466 1.00 . A A . 15 LEU HB2 1 1 3 816 1 1 15 LEU HB3 H 22.136 4.001 0.353 1.00 . A A . 15 LEU HB3 1 1 3 817 1 1 15 LEU HD11 H 19.526 2.350 -1.301 1.00 . A A . 15 LEU HD11 1 1 3 818 1 1 15 LEU HD12 H 20.739 1.268 -1.983 1.00 . A A . 15 LEU HD12 1 1 3 819 1 1 15 LEU HD13 H 20.033 2.541 -2.978 1.00 . A A . 15 LEU HD13 1 1 3 820 1 1 15 LEU HD21 H 21.837 5.180 -2.360 1.00 . A A . 15 LEU HD21 1 1 3 821 1 1 15 LEU HD22 H 20.825 5.183 -0.917 1.00 . A A . 15 LEU HD22 1 1 3 822 1 1 15 LEU HD23 H 20.157 4.660 -2.464 1.00 . A A . 15 LEU HD23 1 1 3 823 1 1 15 LEU HG H 22.368 3.011 -2.086 1.00 . A A . 15 LEU HG 1 1 3 824 1 1 15 LEU N N 21.931 0.635 0.104 1.00 . A A . 15 LEU N 1 1 3 825 1 1 15 LEU O O 24.387 2.661 1.717 1.00 . A A . 15 LEU O 1 1 3 826 1 1 16 ALA C C 24.694 0.466 3.919 1.00 . A A . 16 ALA C 1 1 3 827 1 1 16 ALA CA C 23.507 1.431 3.923 1.00 . A A . 16 ALA CA 1 1 3 828 1 1 16 ALA CB C 22.529 1.030 5.027 1.00 . A A . 16 ALA CB 1 1 3 829 1 1 16 ALA H H 22.024 0.836 2.467 1.00 . A A . 16 ALA H 1 1 3 830 1 1 16 ALA HA H 23.865 2.435 4.104 1.00 . A A . 16 ALA HA 1 1 3 831 1 1 16 ALA HB1 H 23.043 1.020 5.977 1.00 . A A . 16 ALA HB1 1 1 3 832 1 1 16 ALA HB2 H 22.136 0.046 4.821 1.00 . A A . 16 ALA HB2 1 1 3 833 1 1 16 ALA HB3 H 21.718 1.743 5.065 1.00 . A A . 16 ALA HB3 1 1 3 834 1 1 16 ALA N N 22.835 1.374 2.590 1.00 . A A . 16 ALA N 1 1 3 835 1 1 16 ALA O O 25.762 0.778 4.405 1.00 . A A . 16 ALA O 1 1 3 836 1 1 17 ASN C C 26.604 -1.295 2.191 1.00 . A A . 17 ASN C 1 1 3 837 1 1 17 ASN CA C 25.646 -1.684 3.323 1.00 . A A . 17 ASN CA 1 1 3 838 1 1 17 ASN CB C 25.095 -3.104 3.101 1.00 . A A . 17 ASN CB 1 1 3 839 1 1 17 ASN CG C 25.044 -3.436 1.607 1.00 . A A . 17 ASN CG 1 1 3 840 1 1 17 ASN H H 23.644 -0.943 2.969 1.00 . A A . 17 ASN H 1 1 3 841 1 1 17 ASN HA H 26.180 -1.651 4.263 1.00 . A A . 17 ASN HA 1 1 3 842 1 1 17 ASN HB2 H 25.733 -3.817 3.601 1.00 . A A . 17 ASN HB2 1 1 3 843 1 1 17 ASN HB3 H 24.099 -3.167 3.512 1.00 . A A . 17 ASN HB3 1 1 3 844 1 1 17 ASN HD21 H 27.015 -3.386 1.384 1.00 . A A . 17 ASN HD21 1 1 3 845 1 1 17 ASN HD22 H 26.122 -3.744 -0.026 1.00 . A A . 17 ASN HD22 1 1 3 846 1 1 17 ASN N N 24.518 -0.708 3.364 1.00 . A A . 17 ASN N 1 1 3 847 1 1 17 ASN ND2 N 26.150 -3.531 0.932 1.00 . A A . 17 ASN ND2 1 1 3 848 1 1 17 ASN O O 27.709 -1.794 2.101 1.00 . A A . 17 ASN O 1 1 3 849 1 1 17 ASN OD1 O 23.984 -3.617 1.051 1.00 . A A . 17 ASN OD1 1 1 3 850 1 1 18 TYR C C 28.209 0.881 0.714 1.00 . A A . 18 TYR C 1 1 3 851 1 1 18 TYR CA C 27.052 0.016 0.189 1.00 . A A . 18 TYR CA 1 1 3 852 1 1 18 TYR CB C 26.215 0.823 -0.812 1.00 . A A . 18 TYR CB 1 1 3 853 1 1 18 TYR CD1 C 27.760 0.515 -2.781 1.00 . A A . 18 TYR CD1 1 1 3 854 1 1 18 TYR CD2 C 27.300 2.766 -2.003 1.00 . A A . 18 TYR CD2 1 1 3 855 1 1 18 TYR CE1 C 28.594 1.031 -3.781 1.00 . A A . 18 TYR CE1 1 1 3 856 1 1 18 TYR CE2 C 28.135 3.279 -3.004 1.00 . A A . 18 TYR CE2 1 1 3 857 1 1 18 TYR CG C 27.113 1.384 -1.892 1.00 . A A . 18 TYR CG 1 1 3 858 1 1 18 TYR CZ C 28.779 2.411 -3.891 1.00 . A A . 18 TYR CZ 1 1 3 859 1 1 18 TYR H H 25.278 -0.039 1.416 1.00 . A A . 18 TYR H 1 1 3 860 1 1 18 TYR HA H 27.453 -0.857 -0.303 1.00 . A A . 18 TYR HA 1 1 3 861 1 1 18 TYR HB2 H 25.476 0.178 -1.263 1.00 . A A . 18 TYR HB2 1 1 3 862 1 1 18 TYR HB3 H 25.720 1.634 -0.295 1.00 . A A . 18 TYR HB3 1 1 3 863 1 1 18 TYR HD1 H 27.615 -0.550 -2.695 1.00 . A A . 18 TYR HD1 1 1 3 864 1 1 18 TYR HD2 H 26.802 3.436 -1.319 1.00 . A A . 18 TYR HD2 1 1 3 865 1 1 18 TYR HE1 H 29.093 0.362 -4.466 1.00 . A A . 18 TYR HE1 1 1 3 866 1 1 18 TYR HE2 H 28.280 4.345 -3.093 1.00 . A A . 18 TYR HE2 1 1 3 867 1 1 18 TYR HH H 29.118 2.880 -5.705 1.00 . A A . 18 TYR HH 1 1 3 868 1 1 18 TYR N N 26.179 -0.413 1.324 1.00 . A A . 18 TYR N 1 1 3 869 1 1 18 TYR O O 29.349 0.684 0.348 1.00 . A A . 18 TYR O 1 1 3 870 1 1 18 TYR OH O 29.598 2.919 -4.875 1.00 . A A . 18 TYR OH 1 1 3 871 1 1 19 NH2 HN1 H 27.044 2.015 1.862 1.00 . A A . 19 NH2 HN1 1 1 3 872 1 1 19 NH2 HN2 H 28.710 2.403 1.888 1.00 . A A . 19 NH2 HN2 1 1 3 873 1 1 19 NH2 N N 27.966 1.846 1.558 1.00 . A A . 19 NH2 N 1 1 4 874 1 1 1 GLY C C 3.706 1.869 1.197 1.00 . A A . 1 GLY C 1 1 4 875 1 1 1 GLY CA C 3.023 3.245 1.222 1.00 . A A . 1 GLY CA 1 1 4 876 1 1 1 GLY H1 H 1.541 3.200 -0.249 1.00 . A A . 1 GLY H1 1 1 4 877 1 1 1 GLY H2 H 3.132 3.192 -0.865 1.00 . A A . 1 GLY H2 1 1 4 878 1 1 1 GLY H3 H 2.463 4.628 -0.237 1.00 . A A . 1 GLY H3 1 1 4 879 1 1 1 GLY HA2 H 3.741 3.993 1.529 1.00 . A A . 1 GLY HA2 1 1 4 880 1 1 1 GLY HA3 H 2.207 3.224 1.930 1.00 . A A . 1 GLY HA3 1 1 4 881 1 1 1 GLY N N 2.498 3.590 -0.132 1.00 . A A . 1 GLY N 1 1 4 882 1 1 1 GLY O O 4.896 1.759 1.417 1.00 . A A . 1 GLY O 1 1 4 883 1 1 2 GLU C C 4.765 -0.634 0.010 1.00 . A A . 2 GLU C 1 1 4 884 1 1 2 GLU CA C 3.541 -0.559 0.936 1.00 . A A . 2 GLU CA 1 1 4 885 1 1 2 GLU CB C 2.474 -1.547 0.455 1.00 . A A . 2 GLU CB 1 1 4 886 1 1 2 GLU CD C 1.953 -3.969 0.080 1.00 . A A . 2 GLU CD 1 1 4 887 1 1 2 GLU CG C 2.997 -2.981 0.604 1.00 . A A . 2 GLU CG 1 1 4 888 1 1 2 GLU H H 1.994 0.940 0.795 1.00 . A A . 2 GLU H 1 1 4 889 1 1 2 GLU HA H 3.841 -0.826 1.939 1.00 . A A . 2 GLU HA 1 1 4 890 1 1 2 GLU HB2 H 1.579 -1.426 1.048 1.00 . A A . 2 GLU HB2 1 1 4 891 1 1 2 GLU HB3 H 2.247 -1.356 -0.583 1.00 . A A . 2 GLU HB3 1 1 4 892 1 1 2 GLU HG2 H 3.910 -3.094 0.038 1.00 . A A . 2 GLU HG2 1 1 4 893 1 1 2 GLU HG3 H 3.192 -3.189 1.646 1.00 . A A . 2 GLU HG3 1 1 4 894 1 1 2 GLU N N 2.954 0.822 0.951 1.00 . A A . 2 GLU N 1 1 4 895 1 1 2 GLU O O 5.846 -1.008 0.427 1.00 . A A . 2 GLU O 1 1 4 896 1 1 2 GLU OE1 O 1.710 -3.962 -1.117 1.00 . A A . 2 GLU OE1 1 1 4 897 1 1 2 GLU OE2 O 1.414 -4.712 0.882 1.00 . A A . 2 GLU OE2 1 1 4 898 1 1 3 CGU C C 6.813 0.704 -1.736 1.00 . A A . 3 CGU C 1 1 4 899 1 1 3 CGU CA C 5.790 -0.355 -2.162 1.00 . A A . 3 CGU CA 1 1 4 900 1 1 3 CGU CB C 5.329 -0.078 -3.613 1.00 . A A . 3 CGU CB 1 1 4 901 1 1 3 CGU CD1 C 7.263 -1.445 -4.503 1.00 . A A . 3 CGU CD1 1 1 4 902 1 1 3 CGU CD2 C 6.157 0.200 -5.993 1.00 . A A . 3 CGU CD2 1 1 4 903 1 1 3 CGU CG C 6.555 -0.082 -4.539 1.00 . A A . 3 CGU CG 1 1 4 904 1 1 3 CGU H H 3.746 0.006 -1.569 1.00 . A A . 3 CGU H 1 1 4 905 1 1 3 CGU HA H 6.251 -1.335 -2.092 1.00 . A A . 3 CGU HA 1 1 4 906 1 1 3 CGU HB2 H 4.861 0.897 -3.654 1.00 . A A . 3 CGU HB2 1 1 4 907 1 1 3 CGU HB3 H 4.615 -0.831 -3.941 1.00 . A A . 3 CGU HB3 1 1 4 908 1 1 3 CGU HG H 7.238 0.682 -4.211 1.00 . A A . 3 CGU HG 1 1 4 909 1 1 3 CGU N N 4.618 -0.290 -1.240 1.00 . A A . 3 CGU N 1 1 4 910 1 1 3 CGU O O 8.009 0.485 -1.778 1.00 . A A . 3 CGU O 1 1 4 911 1 1 3 CGU OE11 O 8.412 -1.494 -4.914 1.00 . A A . 3 CGU OE11 1 1 4 912 1 1 3 CGU OE12 O 6.649 -2.414 -4.093 1.00 . A A . 3 CGU OE12 1 1 4 913 1 1 3 CGU OE21 O 7.017 0.038 -6.853 1.00 . A A . 3 CGU OE21 1 1 4 914 1 1 3 CGU OE22 O 5.020 0.572 -6.229 1.00 . A A . 3 CGU OE22 1 1 4 915 1 1 4 CGU C C 8.094 2.476 0.291 1.00 . A A . 4 CGU C 1 1 4 916 1 1 4 CGU CA C 7.239 2.945 -0.888 1.00 . A A . 4 CGU CA 1 1 4 917 1 1 4 CGU CB C 6.375 4.128 -0.456 1.00 . A A . 4 CGU CB 1 1 4 918 1 1 4 CGU CD1 C 4.818 5.935 -1.233 1.00 . A A . 4 CGU CD1 1 1 4 919 1 1 4 CGU CD2 C 4.834 3.745 -2.428 1.00 . A A . 4 CGU CD2 1 1 4 920 1 1 4 CGU CG C 5.709 4.777 -1.694 1.00 . A A . 4 CGU CG 1 1 4 921 1 1 4 CGU H H 5.368 1.983 -1.305 1.00 . A A . 4 CGU H 1 1 4 922 1 1 4 CGU HA H 7.877 3.241 -1.706 1.00 . A A . 4 CGU HA 1 1 4 923 1 1 4 CGU HB2 H 6.988 4.855 0.064 1.00 . A A . 4 CGU HB2 1 1 4 924 1 1 4 CGU HB3 H 5.605 3.771 0.217 1.00 . A A . 4 CGU HB3 1 1 4 925 1 1 4 CGU HG H 6.464 5.151 -2.381 1.00 . A A . 4 CGU HG 1 1 4 926 1 1 4 CGU N N 6.338 1.845 -1.325 1.00 . A A . 4 CGU N 1 1 4 927 1 1 4 CGU O O 9.312 2.511 0.237 1.00 . A A . 4 CGU O 1 1 4 928 1 1 4 CGU OE11 O 3.710 5.669 -0.791 1.00 . A A . 4 CGU OE11 1 1 4 929 1 1 4 CGU OE12 O 5.263 7.066 -1.317 1.00 . A A . 4 CGU OE12 1 1 4 930 1 1 4 CGU OE21 O 4.860 3.738 -3.647 1.00 . A A . 4 CGU OE21 1 1 4 931 1 1 4 CGU OE22 O 4.154 2.976 -1.761 1.00 . A A . 4 CGU OE22 1 1 4 932 1 1 5 LEU C C 9.154 0.398 2.089 1.00 . A A . 5 LEU C 1 1 4 933 1 1 5 LEU CA C 8.258 1.559 2.524 1.00 . A A . 5 LEU CA 1 1 4 934 1 1 5 LEU CB C 7.298 1.149 3.646 1.00 . A A . 5 LEU CB 1 1 4 935 1 1 5 LEU CD1 C 7.389 -1.337 3.578 1.00 . A A . 5 LEU CD1 1 1 4 936 1 1 5 LEU CD2 C 5.242 -0.181 4.107 1.00 . A A . 5 LEU CD2 1 1 4 937 1 1 5 LEU CG C 6.526 -0.114 3.277 1.00 . A A . 5 LEU CG 1 1 4 938 1 1 5 LEU H H 6.490 2.006 1.378 1.00 . A A . 5 LEU H 1 1 4 939 1 1 5 LEU HA H 8.883 2.354 2.878 1.00 . A A . 5 LEU HA 1 1 4 940 1 1 5 LEU HB2 H 7.866 0.963 4.533 1.00 . A A . 5 LEU HB2 1 1 4 941 1 1 5 LEU HB3 H 6.598 1.953 3.829 1.00 . A A . 5 LEU HB3 1 1 4 942 1 1 5 LEU HD11 H 8.387 -1.018 3.840 1.00 . A A . 5 LEU HD11 1 1 4 943 1 1 5 LEU HD12 H 7.429 -1.968 2.705 1.00 . A A . 5 LEU HD12 1 1 4 944 1 1 5 LEU HD13 H 6.960 -1.884 4.400 1.00 . A A . 5 LEU HD13 1 1 4 945 1 1 5 LEU HD21 H 4.528 0.531 3.723 1.00 . A A . 5 LEU HD21 1 1 4 946 1 1 5 LEU HD22 H 5.467 0.054 5.137 1.00 . A A . 5 LEU HD22 1 1 4 947 1 1 5 LEU HD23 H 4.828 -1.176 4.047 1.00 . A A . 5 LEU HD23 1 1 4 948 1 1 5 LEU HG H 6.278 -0.092 2.231 1.00 . A A . 5 LEU HG 1 1 4 949 1 1 5 LEU N N 7.473 2.032 1.354 1.00 . A A . 5 LEU N 1 1 4 950 1 1 5 LEU O O 10.334 0.367 2.387 1.00 . A A . 5 LEU O 1 1 4 951 1 1 6 ALA C C 10.651 -1.146 0.140 1.00 . A A . 6 ALA C 1 1 4 952 1 1 6 ALA CA C 9.428 -1.693 0.883 1.00 . A A . 6 ALA CA 1 1 4 953 1 1 6 ALA CB C 8.590 -2.556 -0.067 1.00 . A A . 6 ALA CB 1 1 4 954 1 1 6 ALA H H 7.658 -0.480 1.136 1.00 . A A . 6 ALA H 1 1 4 955 1 1 6 ALA HA H 9.753 -2.287 1.725 1.00 . A A . 6 ALA HA 1 1 4 956 1 1 6 ALA HB1 H 8.080 -3.321 0.499 1.00 . A A . 6 ALA HB1 1 1 4 957 1 1 6 ALA HB2 H 9.235 -3.022 -0.797 1.00 . A A . 6 ALA HB2 1 1 4 958 1 1 6 ALA HB3 H 7.864 -1.938 -0.571 1.00 . A A . 6 ALA HB3 1 1 4 959 1 1 6 ALA N N 8.607 -0.541 1.367 1.00 . A A . 6 ALA N 1 1 4 960 1 1 6 ALA O O 11.779 -1.504 0.434 1.00 . A A . 6 ALA O 1 1 4 961 1 1 7 CGU C C 12.504 1.018 -0.528 1.00 . A A . 7 CGU C 1 1 4 962 1 1 7 CGU CA C 11.584 0.330 -1.541 1.00 . A A . 7 CGU CA 1 1 4 963 1 1 7 CGU CB C 11.064 1.366 -2.541 1.00 . A A . 7 CGU CB 1 1 4 964 1 1 7 CGU CD1 C 9.369 1.673 -4.393 1.00 . A A . 7 CGU CD1 1 1 4 965 1 1 7 CGU CD2 C 11.275 0.089 -4.719 1.00 . A A . 7 CGU CD2 1 1 4 966 1 1 7 CGU CG C 10.291 0.663 -3.681 1.00 . A A . 7 CGU CG 1 1 4 967 1 1 7 CGU H H 9.522 0.029 -1.009 1.00 . A A . 7 CGU H 1 1 4 968 1 1 7 CGU HA H 12.126 -0.449 -2.063 1.00 . A A . 7 CGU HA 1 1 4 969 1 1 7 CGU HB2 H 11.900 1.902 -2.957 1.00 . A A . 7 CGU HB2 1 1 4 970 1 1 7 CGU HB3 H 10.414 2.068 -2.026 1.00 . A A . 7 CGU HB3 1 1 4 971 1 1 7 CGU HG H 9.693 -0.147 -3.277 1.00 . A A . 7 CGU HG 1 1 4 972 1 1 7 CGU N N 10.438 -0.261 -0.802 1.00 . A A . 7 CGU N 1 1 4 973 1 1 7 CGU O O 13.696 0.779 -0.486 1.00 . A A . 7 CGU O 1 1 4 974 1 1 7 CGU OE11 O 8.957 2.629 -3.759 1.00 . A A . 7 CGU OE11 1 1 4 975 1 1 7 CGU OE12 O 9.077 1.462 -5.564 1.00 . A A . 7 CGU OE12 1 1 4 976 1 1 7 CGU OE21 O 10.807 -0.507 -5.684 1.00 . A A . 7 CGU OE21 1 1 4 977 1 1 7 CGU OE22 O 12.470 0.253 -4.543 1.00 . A A . 7 CGU OE22 1 1 4 978 1 1 8 LYS C C 13.501 1.528 2.180 1.00 . A A . 8 LYS C 1 1 4 979 1 1 8 LYS CA C 12.751 2.566 1.340 1.00 . A A . 8 LYS CA 1 1 4 980 1 1 8 LYS CB C 11.813 3.371 2.243 1.00 . A A . 8 LYS CB 1 1 4 981 1 1 8 LYS CD C 12.890 5.645 2.406 1.00 . A A . 8 LYS CD 1 1 4 982 1 1 8 LYS CE C 14.361 5.737 1.978 1.00 . A A . 8 LYS CE 1 1 4 983 1 1 8 LYS CG C 12.628 4.317 3.139 1.00 . A A . 8 LYS CG 1 1 4 984 1 1 8 LYS H H 10.971 2.016 0.253 1.00 . A A . 8 LYS H 1 1 4 985 1 1 8 LYS HA H 13.452 3.230 0.867 1.00 . A A . 8 LYS HA 1 1 4 986 1 1 8 LYS HB2 H 11.137 3.946 1.629 1.00 . A A . 8 LYS HB2 1 1 4 987 1 1 8 LYS HB3 H 11.244 2.693 2.863 1.00 . A A . 8 LYS HB3 1 1 4 988 1 1 8 LYS HD2 H 12.258 5.705 1.532 1.00 . A A . 8 LYS HD2 1 1 4 989 1 1 8 LYS HD3 H 12.658 6.468 3.066 1.00 . A A . 8 LYS HD3 1 1 4 990 1 1 8 LYS HE2 H 14.737 6.729 2.194 1.00 . A A . 8 LYS HE2 1 1 4 991 1 1 8 LYS HE3 H 14.946 5.009 2.525 1.00 . A A . 8 LYS HE3 1 1 4 992 1 1 8 LYS HG2 H 12.072 4.514 4.047 1.00 . A A . 8 LYS HG2 1 1 4 993 1 1 8 LYS HG3 H 13.571 3.852 3.393 1.00 . A A . 8 LYS HG3 1 1 4 994 1 1 8 LYS HZ1 H 14.869 6.297 0.031 1.00 . A A . 8 LYS HZ1 1 1 4 995 1 1 8 LYS HZ2 H 13.524 5.267 0.126 1.00 . A A . 8 LYS HZ2 1 1 4 996 1 1 8 LYS HZ3 H 15.092 4.645 0.350 1.00 . A A . 8 LYS HZ3 1 1 4 997 1 1 8 LYS N N 11.940 1.859 0.304 1.00 . A A . 8 LYS N 1 1 4 998 1 1 8 LYS NZ N 14.469 5.466 0.511 1.00 . A A . 8 LYS NZ 1 1 4 999 1 1 8 LYS O O 14.696 1.631 2.404 1.00 . A A . 8 LYS O 1 1 4 1000 1 1 9 ALA C C 14.564 -1.214 2.688 1.00 . A A . 9 ALA C 1 1 4 1001 1 1 9 ALA CA C 13.434 -0.533 3.468 1.00 . A A . 9 ALA CA 1 1 4 1002 1 1 9 ALA CB C 12.373 -1.573 3.844 1.00 . A A . 9 ALA CB 1 1 4 1003 1 1 9 ALA H H 11.831 0.478 2.436 1.00 . A A . 9 ALA H 1 1 4 1004 1 1 9 ALA HA H 13.836 -0.092 4.368 1.00 . A A . 9 ALA HA 1 1 4 1005 1 1 9 ALA HB1 H 11.423 -1.082 3.989 1.00 . A A . 9 ALA HB1 1 1 4 1006 1 1 9 ALA HB2 H 12.662 -2.071 4.758 1.00 . A A . 9 ALA HB2 1 1 4 1007 1 1 9 ALA HB3 H 12.284 -2.301 3.051 1.00 . A A . 9 ALA HB3 1 1 4 1008 1 1 9 ALA N N 12.798 0.529 2.639 1.00 . A A . 9 ALA N 1 1 4 1009 1 1 9 ALA O O 15.663 -1.376 3.187 1.00 . A A . 9 ALA O 1 1 4 1010 1 1 10 CGU C C 16.466 -1.301 0.316 1.00 . A A . 10 CGU C 1 1 4 1011 1 1 10 CGU CA C 15.363 -2.305 0.685 1.00 . A A . 10 CGU CA 1 1 4 1012 1 1 10 CGU CB C 14.730 -2.917 -0.569 1.00 . A A . 10 CGU CB 1 1 4 1013 1 1 10 CGU CD1 C 15.221 -3.822 -2.874 1.00 . A A . 10 CGU CD1 1 1 4 1014 1 1 10 CGU CD2 C 16.713 -4.429 -0.963 1.00 . A A . 10 CGU CD2 1 1 4 1015 1 1 10 CGU CG C 15.830 -3.311 -1.553 1.00 . A A . 10 CGU CG 1 1 4 1016 1 1 10 CGU H H 13.421 -1.496 1.079 1.00 . A A . 10 CGU H 1 1 4 1017 1 1 10 CGU HA H 15.793 -3.091 1.288 1.00 . A A . 10 CGU HA 1 1 4 1018 1 1 10 CGU HB2 H 14.074 -2.195 -1.033 1.00 . A A . 10 CGU HB2 1 1 4 1019 1 1 10 CGU HB3 H 14.161 -3.794 -0.294 1.00 . A A . 10 CGU HB3 1 1 4 1020 1 1 10 CGU HG H 16.432 -2.442 -1.747 1.00 . A A . 10 CGU HG 1 1 4 1021 1 1 10 CGU N N 14.309 -1.625 1.472 1.00 . A A . 10 CGU N 1 1 4 1022 1 1 10 CGU O O 17.640 -1.620 0.358 1.00 . A A . 10 CGU O 1 1 4 1023 1 1 10 CGU OE11 O 14.074 -3.510 -3.144 1.00 . A A . 10 CGU OE11 1 1 4 1024 1 1 10 CGU OE12 O 15.924 -4.521 -3.596 1.00 . A A . 10 CGU OE12 1 1 4 1025 1 1 10 CGU OE21 O 17.688 -4.780 -1.605 1.00 . A A . 10 CGU OE21 1 1 4 1026 1 1 10 CGU OE22 O 16.399 -4.923 0.106 1.00 . A A . 10 CGU OE22 1 1 4 1027 1 1 11 PHE C C 17.987 1.164 0.898 1.00 . A A . 11 PHE C 1 1 4 1028 1 1 11 PHE CA C 17.148 0.933 -0.353 1.00 . A A . 11 PHE CA 1 1 4 1029 1 1 11 PHE CB C 16.455 2.213 -0.848 1.00 . A A . 11 PHE CB 1 1 4 1030 1 1 11 PHE CD1 C 16.946 3.743 1.113 1.00 . A A . 11 PHE CD1 1 1 4 1031 1 1 11 PHE CD2 C 17.679 4.406 -1.098 1.00 . A A . 11 PHE CD2 1 1 4 1032 1 1 11 PHE CE1 C 17.454 4.934 1.641 1.00 . A A . 11 PHE CE1 1 1 4 1033 1 1 11 PHE CE2 C 18.193 5.596 -0.566 1.00 . A A . 11 PHE CE2 1 1 4 1034 1 1 11 PHE CG C 17.056 3.475 -0.257 1.00 . A A . 11 PHE CG 1 1 4 1035 1 1 11 PHE CZ C 18.076 5.862 0.802 1.00 . A A . 11 PHE CZ 1 1 4 1036 1 1 11 PHE H H 15.156 0.165 -0.020 1.00 . A A . 11 PHE H 1 1 4 1037 1 1 11 PHE HA H 17.786 0.557 -1.131 1.00 . A A . 11 PHE HA 1 1 4 1038 1 1 11 PHE HB2 H 16.543 2.259 -1.923 1.00 . A A . 11 PHE HB2 1 1 4 1039 1 1 11 PHE HB3 H 15.414 2.163 -0.592 1.00 . A A . 11 PHE HB3 1 1 4 1040 1 1 11 PHE HD1 H 16.478 3.026 1.763 1.00 . A A . 11 PHE HD1 1 1 4 1041 1 1 11 PHE HD2 H 17.788 4.194 -2.155 1.00 . A A . 11 PHE HD2 1 1 4 1042 1 1 11 PHE HE1 H 17.369 5.136 2.700 1.00 . A A . 11 PHE HE1 1 1 4 1043 1 1 11 PHE HE2 H 18.672 6.315 -1.214 1.00 . A A . 11 PHE HE2 1 1 4 1044 1 1 11 PHE HZ H 18.468 6.782 1.209 1.00 . A A . 11 PHE HZ 1 1 4 1045 1 1 11 PHE N N 16.108 -0.086 -0.017 1.00 . A A . 11 PHE N 1 1 4 1046 1 1 11 PHE O O 19.196 1.258 0.837 1.00 . A A . 11 PHE O 1 1 4 1047 1 1 12 ALA C C 19.101 0.217 3.423 1.00 . A A . 12 ALA C 1 1 4 1048 1 1 12 ALA CA C 18.120 1.378 3.304 1.00 . A A . 12 ALA CA 1 1 4 1049 1 1 12 ALA CB C 17.156 1.372 4.496 1.00 . A A . 12 ALA CB 1 1 4 1050 1 1 12 ALA H H 16.382 1.080 2.071 1.00 . A A . 12 ALA H 1 1 4 1051 1 1 12 ALA HA H 18.663 2.311 3.273 1.00 . A A . 12 ALA HA 1 1 4 1052 1 1 12 ALA HB1 H 16.206 1.782 4.193 1.00 . A A . 12 ALA HB1 1 1 4 1053 1 1 12 ALA HB2 H 17.568 1.973 5.293 1.00 . A A . 12 ALA HB2 1 1 4 1054 1 1 12 ALA HB3 H 17.018 0.361 4.844 1.00 . A A . 12 ALA HB3 1 1 4 1055 1 1 12 ALA N N 17.356 1.199 2.043 1.00 . A A . 12 ALA N 1 1 4 1056 1 1 12 ALA O O 20.119 0.313 4.070 1.00 . A A . 12 ALA O 1 1 4 1057 1 1 13 ARG C C 20.809 -1.873 1.770 1.00 . A A . 13 ARG C 1 1 4 1058 1 1 13 ARG CA C 19.713 -2.052 2.828 1.00 . A A . 13 ARG CA 1 1 4 1059 1 1 13 ARG CB C 18.905 -3.324 2.534 1.00 . A A . 13 ARG CB 1 1 4 1060 1 1 13 ARG CD C 20.601 -5.183 2.438 1.00 . A A . 13 ARG CD 1 1 4 1061 1 1 13 ARG CG C 19.501 -4.524 3.283 1.00 . A A . 13 ARG CG 1 1 4 1062 1 1 13 ARG CZ C 22.307 -4.094 3.770 1.00 . A A . 13 ARG CZ 1 1 4 1063 1 1 13 ARG H H 17.972 -0.926 2.252 1.00 . A A . 13 ARG H 1 1 4 1064 1 1 13 ARG HA H 20.162 -2.123 3.808 1.00 . A A . 13 ARG HA 1 1 4 1065 1 1 13 ARG HB2 H 17.883 -3.178 2.853 1.00 . A A . 13 ARG HB2 1 1 4 1066 1 1 13 ARG HB3 H 18.919 -3.523 1.471 1.00 . A A . 13 ARG HB3 1 1 4 1067 1 1 13 ARG HD2 H 20.739 -6.204 2.764 1.00 . A A . 13 ARG HD2 1 1 4 1068 1 1 13 ARG HD3 H 20.306 -5.179 1.398 1.00 . A A . 13 ARG HD3 1 1 4 1069 1 1 13 ARG HE H 22.415 -4.174 1.792 1.00 . A A . 13 ARG HE 1 1 4 1070 1 1 13 ARG HG2 H 19.919 -4.190 4.223 1.00 . A A . 13 ARG HG2 1 1 4 1071 1 1 13 ARG HG3 H 18.722 -5.246 3.478 1.00 . A A . 13 ARG HG3 1 1 4 1072 1 1 13 ARG HH11 H 22.245 -5.942 4.493 1.00 . A A . 13 ARG HH11 1 1 4 1073 1 1 13 ARG HH12 H 22.781 -4.724 5.596 1.00 . A A . 13 ARG HH12 1 1 4 1074 1 1 13 ARG HH21 H 22.449 -2.175 3.276 1.00 . A A . 13 ARG HH21 1 1 4 1075 1 1 13 ARG HH22 H 22.907 -2.577 4.907 1.00 . A A . 13 ARG HH22 1 1 4 1076 1 1 13 ARG N N 18.801 -0.879 2.779 1.00 . A A . 13 ARG N 1 1 4 1077 1 1 13 ARG NE N 21.884 -4.431 2.596 1.00 . A A . 13 ARG NE 1 1 4 1078 1 1 13 ARG NH1 N 22.457 -4.988 4.691 1.00 . A A . 13 ARG NH1 1 1 4 1079 1 1 13 ARG NH2 N 22.576 -2.858 4.009 1.00 . A A . 13 ARG NH2 1 1 4 1080 1 1 13 ARG O O 21.983 -1.759 2.092 1.00 . A A . 13 ARG O 1 1 4 1081 1 1 14 CGU C C 22.281 -0.416 -0.348 1.00 . A A . 14 CGU C 1 1 4 1082 1 1 14 CGU CA C 21.434 -1.673 -0.580 1.00 . A A . 14 CGU CA 1 1 4 1083 1 1 14 CGU CB C 20.713 -1.559 -1.933 1.00 . A A . 14 CGU CB 1 1 4 1084 1 1 14 CGU CD1 C 18.593 -2.306 -3.056 1.00 . A A . 14 CGU CD1 1 1 4 1085 1 1 14 CGU CD2 C 20.489 -3.946 -2.762 1.00 . A A . 14 CGU CD2 1 1 4 1086 1 1 14 CGU CG C 19.746 -2.746 -2.130 1.00 . A A . 14 CGU CG 1 1 4 1087 1 1 14 CGU H H 19.482 -1.921 0.287 1.00 . A A . 14 CGU H 1 1 4 1088 1 1 14 CGU HA H 22.083 -2.535 -0.598 1.00 . A A . 14 CGU HA 1 1 4 1089 1 1 14 CGU HB2 H 21.446 -1.570 -2.721 1.00 . A A . 14 CGU HB2 1 1 4 1090 1 1 14 CGU HB3 H 20.161 -0.629 -1.980 1.00 . A A . 14 CGU HB3 1 1 4 1091 1 1 14 CGU HG H 19.340 -3.049 -1.172 1.00 . A A . 14 CGU HG 1 1 4 1092 1 1 14 CGU N N 20.432 -1.837 0.513 1.00 . A A . 14 CGU N 1 1 4 1093 1 1 14 CGU O O 23.474 -0.420 -0.576 1.00 . A A . 14 CGU O 1 1 4 1094 1 1 14 CGU OE11 O 18.229 -3.065 -3.945 1.00 . A A . 14 CGU OE11 1 1 4 1095 1 1 14 CGU OE12 O 18.079 -1.221 -2.851 1.00 . A A . 14 CGU OE12 1 1 4 1096 1 1 14 CGU OE21 O 19.824 -4.908 -3.137 1.00 . A A . 14 CGU OE21 1 1 4 1097 1 1 14 CGU OE22 O 21.703 -3.894 -2.855 1.00 . A A . 14 CGU OE22 1 1 4 1098 1 1 15 LEU C C 23.210 1.827 1.654 1.00 . A A . 15 LEU C 1 1 4 1099 1 1 15 LEU CA C 22.464 1.904 0.315 1.00 . A A . 15 LEU CA 1 1 4 1100 1 1 15 LEU CB C 21.508 3.106 0.262 1.00 . A A . 15 LEU CB 1 1 4 1101 1 1 15 LEU CD1 C 20.124 2.596 -1.767 1.00 . A A . 15 LEU CD1 1 1 4 1102 1 1 15 LEU CD2 C 20.835 4.940 -1.293 1.00 . A A . 15 LEU CD2 1 1 4 1103 1 1 15 LEU CG C 21.243 3.473 -1.205 1.00 . A A . 15 LEU CG 1 1 4 1104 1 1 15 LEU H H 20.717 0.663 0.268 1.00 . A A . 15 LEU H 1 1 4 1105 1 1 15 LEU HA H 23.198 1.997 -0.470 1.00 . A A . 15 LEU HA 1 1 4 1106 1 1 15 LEU HB2 H 20.571 2.848 0.739 1.00 . A A . 15 LEU HB2 1 1 4 1107 1 1 15 LEU HB3 H 21.945 3.950 0.767 1.00 . A A . 15 LEU HB3 1 1 4 1108 1 1 15 LEU HD11 H 20.509 1.609 -1.972 1.00 . A A . 15 LEU HD11 1 1 4 1109 1 1 15 LEU HD12 H 19.749 3.032 -2.681 1.00 . A A . 15 LEU HD12 1 1 4 1110 1 1 15 LEU HD13 H 19.324 2.527 -1.047 1.00 . A A . 15 LEU HD13 1 1 4 1111 1 1 15 LEU HD21 H 21.691 5.535 -1.567 1.00 . A A . 15 LEU HD21 1 1 4 1112 1 1 15 LEU HD22 H 20.463 5.266 -0.334 1.00 . A A . 15 LEU HD22 1 1 4 1113 1 1 15 LEU HD23 H 20.063 5.054 -2.039 1.00 . A A . 15 LEU HD23 1 1 4 1114 1 1 15 LEU HG H 22.134 3.314 -1.785 1.00 . A A . 15 LEU HG 1 1 4 1115 1 1 15 LEU N N 21.682 0.663 0.092 1.00 . A A . 15 LEU N 1 1 4 1116 1 1 15 LEU O O 24.216 2.485 1.846 1.00 . A A . 15 LEU O 1 1 4 1117 1 1 16 ALA C C 24.750 0.019 3.625 1.00 . A A . 16 ALA C 1 1 4 1118 1 1 16 ALA CA C 23.499 0.873 3.861 1.00 . A A . 16 ALA CA 1 1 4 1119 1 1 16 ALA CB C 22.611 0.205 4.915 1.00 . A A . 16 ALA CB 1 1 4 1120 1 1 16 ALA H H 21.972 0.450 2.390 1.00 . A A . 16 ALA H 1 1 4 1121 1 1 16 ALA HA H 23.796 1.853 4.207 1.00 . A A . 16 ALA HA 1 1 4 1122 1 1 16 ALA HB1 H 23.225 -0.152 5.730 1.00 . A A . 16 ALA HB1 1 1 4 1123 1 1 16 ALA HB2 H 22.085 -0.625 4.472 1.00 . A A . 16 ALA HB2 1 1 4 1124 1 1 16 ALA HB3 H 21.899 0.923 5.292 1.00 . A A . 16 ALA HB3 1 1 4 1125 1 1 16 ALA N N 22.764 1.000 2.566 1.00 . A A . 16 ALA N 1 1 4 1126 1 1 16 ALA O O 25.786 0.246 4.212 1.00 . A A . 16 ALA O 1 1 4 1127 1 1 17 ASN C C 26.612 -1.225 1.263 1.00 . A A . 17 ASN C 1 1 4 1128 1 1 17 ASN CA C 25.853 -1.809 2.458 1.00 . A A . 17 ASN CA 1 1 4 1129 1 1 17 ASN CB C 25.414 -3.250 2.150 1.00 . A A . 17 ASN CB 1 1 4 1130 1 1 17 ASN CG C 24.509 -3.283 0.918 1.00 . A A . 17 ASN CG 1 1 4 1131 1 1 17 ASN H H 23.815 -1.109 2.274 1.00 . A A . 17 ASN H 1 1 4 1132 1 1 17 ASN HA H 26.506 -1.812 3.320 1.00 . A A . 17 ASN HA 1 1 4 1133 1 1 17 ASN HB2 H 26.289 -3.856 1.964 1.00 . A A . 17 ASN HB2 1 1 4 1134 1 1 17 ASN HB3 H 24.877 -3.650 2.997 1.00 . A A . 17 ASN HB3 1 1 4 1135 1 1 17 ASN HD21 H 25.918 -2.618 -0.309 1.00 . A A . 17 ASN HD21 1 1 4 1136 1 1 17 ASN HD22 H 24.403 -2.927 -1.027 1.00 . A A . 17 ASN HD22 1 1 4 1137 1 1 17 ASN N N 24.661 -0.954 2.750 1.00 . A A . 17 ASN N 1 1 4 1138 1 1 17 ASN ND2 N 24.983 -2.913 -0.235 1.00 . A A . 17 ASN ND2 1 1 4 1139 1 1 17 ASN O O 27.572 -1.795 0.786 1.00 . A A . 17 ASN O 1 1 4 1140 1 1 17 ASN OD1 O 23.359 -3.664 1.006 1.00 . A A . 17 ASN OD1 1 1 4 1141 1 1 18 TYR C C 28.198 1.143 0.016 1.00 . A A . 18 TYR C 1 1 4 1142 1 1 18 TYR CA C 26.854 0.528 -0.410 1.00 . A A . 18 TYR CA 1 1 4 1143 1 1 18 TYR CB C 25.948 1.621 -0.985 1.00 . A A . 18 TYR CB 1 1 4 1144 1 1 18 TYR CD1 C 27.410 3.211 -2.300 1.00 . A A . 18 TYR CD1 1 1 4 1145 1 1 18 TYR CD2 C 26.159 1.509 -3.498 1.00 . A A . 18 TYR CD2 1 1 4 1146 1 1 18 TYR CE1 C 27.937 3.674 -3.514 1.00 . A A . 18 TYR CE1 1 1 4 1147 1 1 18 TYR CE2 C 26.687 1.976 -4.710 1.00 . A A . 18 TYR CE2 1 1 4 1148 1 1 18 TYR CG C 26.520 2.126 -2.292 1.00 . A A . 18 TYR CG 1 1 4 1149 1 1 18 TYR CZ C 27.574 3.056 -4.716 1.00 . A A . 18 TYR CZ 1 1 4 1150 1 1 18 TYR H H 25.386 0.331 1.159 1.00 . A A . 18 TYR H 1 1 4 1151 1 1 18 TYR HA H 27.030 -0.226 -1.164 1.00 . A A . 18 TYR HA 1 1 4 1152 1 1 18 TYR HB2 H 24.963 1.214 -1.157 1.00 . A A . 18 TYR HB2 1 1 4 1153 1 1 18 TYR HB3 H 25.878 2.439 -0.282 1.00 . A A . 18 TYR HB3 1 1 4 1154 1 1 18 TYR HD1 H 27.691 3.690 -1.373 1.00 . A A . 18 TYR HD1 1 1 4 1155 1 1 18 TYR HD2 H 25.472 0.674 -3.497 1.00 . A A . 18 TYR HD2 1 1 4 1156 1 1 18 TYR HE1 H 28.622 4.509 -3.522 1.00 . A A . 18 TYR HE1 1 1 4 1157 1 1 18 TYR HE2 H 26.408 1.501 -5.640 1.00 . A A . 18 TYR HE2 1 1 4 1158 1 1 18 TYR HH H 28.909 3.031 -6.078 1.00 . A A . 18 TYR HH 1 1 4 1159 1 1 18 TYR N N 26.175 -0.099 0.765 1.00 . A A . 18 TYR N 1 1 4 1160 1 1 18 TYR O O 29.209 0.929 -0.619 1.00 . A A . 18 TYR O 1 1 4 1161 1 1 18 TYR OH O 28.094 3.511 -5.908 1.00 . A A . 18 TYR OH 1 1 4 1162 1 1 19 NH2 HN1 H 27.439 2.101 1.588 1.00 . A A . 19 NH2 HN1 1 1 4 1163 1 1 19 NH2 HN2 H 29.113 2.323 1.326 1.00 . A A . 19 NH2 HN2 1 1 4 1164 1 1 19 NH2 N N 28.254 1.919 1.064 1.00 . A A . 19 NH2 N 1 1 5 1165 1 1 1 GLY C C 3.495 2.346 1.032 1.00 . A A . 1 GLY C 1 1 5 1166 1 1 1 GLY CA C 2.700 3.645 0.860 1.00 . A A . 1 GLY CA 1 1 5 1167 1 1 1 GLY H1 H 1.210 4.330 -0.435 1.00 . A A . 1 GLY H1 1 1 5 1168 1 1 1 GLY H2 H 1.511 2.653 -0.559 1.00 . A A . 1 GLY H2 1 1 5 1169 1 1 1 GLY H3 H 2.608 3.781 -1.223 1.00 . A A . 1 GLY H3 1 1 5 1170 1 1 1 GLY HA2 H 3.380 4.485 0.859 1.00 . A A . 1 GLY HA2 1 1 5 1171 1 1 1 GLY HA3 H 2.002 3.749 1.676 1.00 . A A . 1 GLY HA3 1 1 5 1172 1 1 1 GLY N N 1.952 3.603 -0.437 1.00 . A A . 1 GLY N 1 1 5 1173 1 1 1 GLY O O 4.709 2.353 1.075 1.00 . A A . 1 GLY O 1 1 5 1174 1 1 2 GLU C C 4.686 -0.191 0.321 1.00 . A A . 2 GLU C 1 1 5 1175 1 1 2 GLU CA C 3.489 -0.086 1.278 1.00 . A A . 2 GLU CA 1 1 5 1176 1 1 2 GLU CB C 2.494 -1.218 0.953 1.00 . A A . 2 GLU CB 1 1 5 1177 1 1 2 GLU CD C 1.456 0.320 -0.777 1.00 . A A . 2 GLU CD 1 1 5 1178 1 1 2 GLU CG C 1.178 -0.652 0.377 1.00 . A A . 2 GLU CG 1 1 5 1179 1 1 2 GLU H H 1.828 1.273 1.072 1.00 . A A . 2 GLU H 1 1 5 1180 1 1 2 GLU HA H 3.833 -0.195 2.296 1.00 . A A . 2 GLU HA 1 1 5 1181 1 1 2 GLU HB2 H 2.939 -1.886 0.228 1.00 . A A . 2 GLU HB2 1 1 5 1182 1 1 2 GLU HB3 H 2.277 -1.770 1.856 1.00 . A A . 2 GLU HB3 1 1 5 1183 1 1 2 GLU HG2 H 0.573 -1.468 0.011 1.00 . A A . 2 GLU HG2 1 1 5 1184 1 1 2 GLU HG3 H 0.640 -0.135 1.156 1.00 . A A . 2 GLU HG3 1 1 5 1185 1 1 2 GLU N N 2.809 1.238 1.119 1.00 . A A . 2 GLU N 1 1 5 1186 1 1 2 GLU O O 5.810 -0.410 0.740 1.00 . A A . 2 GLU O 1 1 5 1187 1 1 2 GLU OE1 O 1.002 1.452 -0.691 1.00 . A A . 2 GLU OE1 1 1 5 1188 1 1 2 GLU OE2 O 2.131 -0.069 -1.711 1.00 . A A . 2 GLU OE2 1 1 5 1189 1 1 3 CGU C C 6.669 0.852 -1.576 1.00 . A A . 3 CGU C 1 1 5 1190 1 1 3 CGU CA C 5.565 -0.145 -1.946 1.00 . A A . 3 CGU CA 1 1 5 1191 1 1 3 CGU CB C 5.034 0.165 -3.366 1.00 . A A . 3 CGU CB 1 1 5 1192 1 1 3 CGU CD1 C 6.859 -1.270 -4.378 1.00 . A A . 3 CGU CD1 1 1 5 1193 1 1 3 CGU CD2 C 5.731 0.421 -5.793 1.00 . A A . 3 CGU CD2 1 1 5 1194 1 1 3 CGU CG C 6.203 0.119 -4.365 1.00 . A A . 3 CGU CG 1 1 5 1195 1 1 3 CGU H H 3.527 0.118 -1.272 1.00 . A A . 3 CGU H 1 1 5 1196 1 1 3 CGU HA H 5.981 -1.147 -1.911 1.00 . A A . 3 CGU HA 1 1 5 1197 1 1 3 CGU HB2 H 4.605 1.157 -3.373 1.00 . A A . 3 CGU HB2 1 1 5 1198 1 1 3 CGU HB3 H 4.270 -0.555 -3.656 1.00 . A A . 3 CGU HB3 1 1 5 1199 1 1 3 CGU HG H 6.935 0.854 -4.076 1.00 . A A . 3 CGU HG 1 1 5 1200 1 1 3 CGU N N 4.451 -0.046 -0.958 1.00 . A A . 3 CGU N 1 1 5 1201 1 1 3 CGU O O 7.843 0.543 -1.663 1.00 . A A . 3 CGU O 1 1 5 1202 1 1 3 CGU OE11 O 6.234 -2.219 -3.937 1.00 . A A . 3 CGU OE11 1 1 5 1203 1 1 3 CGU OE12 O 7.980 -1.359 -4.858 1.00 . A A . 3 CGU OE12 1 1 5 1204 1 1 3 CGU OE21 O 6.547 0.267 -6.699 1.00 . A A . 3 CGU OE21 1 1 5 1205 1 1 3 CGU OE22 O 4.585 0.798 -5.965 1.00 . A A . 3 CGU OE22 1 1 5 1206 1 1 4 CGU C C 8.174 2.449 0.383 1.00 . A A . 4 CGU C 1 1 5 1207 1 1 4 CGU CA C 7.359 3.027 -0.772 1.00 . A A . 4 CGU CA 1 1 5 1208 1 1 4 CGU CB C 6.711 4.345 -0.330 1.00 . A A . 4 CGU CB 1 1 5 1209 1 1 4 CGU CD1 C 8.372 5.460 -1.884 1.00 . A A . 4 CGU CD1 1 1 5 1210 1 1 4 CGU CD2 C 6.545 6.792 -0.822 1.00 . A A . 4 CGU CD2 1 1 5 1211 1 1 4 CGU CG C 6.909 5.422 -1.409 1.00 . A A . 4 CGU CG 1 1 5 1212 1 1 4 CGU H H 5.363 2.267 -1.077 1.00 . A A . 4 CGU H 1 1 5 1213 1 1 4 CGU HA H 8.005 3.203 -1.617 1.00 . A A . 4 CGU HA 1 1 5 1214 1 1 4 CGU HB2 H 7.163 4.677 0.592 1.00 . A A . 4 CGU HB2 1 1 5 1215 1 1 4 CGU HB3 H 5.652 4.188 -0.175 1.00 . A A . 4 CGU HB3 1 1 5 1216 1 1 4 CGU HG H 6.265 5.209 -2.249 1.00 . A A . 4 CGU HG 1 1 5 1217 1 1 4 CGU N N 6.311 2.038 -1.154 1.00 . A A . 4 CGU N 1 1 5 1218 1 1 4 CGU O O 9.386 2.351 0.315 1.00 . A A . 4 CGU O 1 1 5 1219 1 1 4 CGU OE11 O 8.583 5.719 -3.055 1.00 . A A . 4 CGU OE11 1 1 5 1220 1 1 4 CGU OE12 O 9.255 5.231 -1.071 1.00 . A A . 4 CGU OE12 1 1 5 1221 1 1 4 CGU OE21 O 5.426 7.222 -1.035 1.00 . A A . 4 CGU OE21 1 1 5 1222 1 1 4 CGU OE22 O 7.389 7.382 -0.159 1.00 . A A . 4 CGU OE22 1 1 5 1223 1 1 5 LEU C C 9.095 0.284 2.071 1.00 . A A . 5 LEU C 1 1 5 1224 1 1 5 LEU CA C 8.244 1.444 2.587 1.00 . A A . 5 LEU CA 1 1 5 1225 1 1 5 LEU CB C 7.237 0.928 3.620 1.00 . A A . 5 LEU CB 1 1 5 1226 1 1 5 LEU CD1 C 5.704 2.885 3.970 1.00 . A A . 5 LEU CD1 1 1 5 1227 1 1 5 LEU CD2 C 6.383 1.472 5.909 1.00 . A A . 5 LEU CD2 1 1 5 1228 1 1 5 LEU CG C 6.843 2.063 4.575 1.00 . A A . 5 LEU CG 1 1 5 1229 1 1 5 LEU H H 6.534 2.110 1.462 1.00 . A A . 5 LEU H 1 1 5 1230 1 1 5 LEU HA H 8.883 2.189 3.038 1.00 . A A . 5 LEU HA 1 1 5 1231 1 1 5 LEU HB2 H 6.356 0.560 3.111 1.00 . A A . 5 LEU HB2 1 1 5 1232 1 1 5 LEU HB3 H 7.685 0.126 4.185 1.00 . A A . 5 LEU HB3 1 1 5 1233 1 1 5 LEU HD11 H 5.018 2.229 3.457 1.00 . A A . 5 LEU HD11 1 1 5 1234 1 1 5 LEU HD12 H 6.108 3.603 3.272 1.00 . A A . 5 LEU HD12 1 1 5 1235 1 1 5 LEU HD13 H 5.180 3.407 4.758 1.00 . A A . 5 LEU HD13 1 1 5 1236 1 1 5 LEU HD21 H 5.467 0.920 5.761 1.00 . A A . 5 LEU HD21 1 1 5 1237 1 1 5 LEU HD22 H 6.212 2.270 6.615 1.00 . A A . 5 LEU HD22 1 1 5 1238 1 1 5 LEU HD23 H 7.145 0.809 6.291 1.00 . A A . 5 LEU HD23 1 1 5 1239 1 1 5 LEU HG H 7.697 2.704 4.740 1.00 . A A . 5 LEU HG 1 1 5 1240 1 1 5 LEU N N 7.514 2.040 1.437 1.00 . A A . 5 LEU N 1 1 5 1241 1 1 5 LEU O O 10.277 0.190 2.352 1.00 . A A . 5 LEU O 1 1 5 1242 1 1 6 ALA C C 10.487 -1.230 -0.020 1.00 . A A . 6 ALA C 1 1 5 1243 1 1 6 ALA CA C 9.260 -1.747 0.738 1.00 . A A . 6 ALA CA 1 1 5 1244 1 1 6 ALA CB C 8.354 -2.525 -0.221 1.00 . A A . 6 ALA CB 1 1 5 1245 1 1 6 ALA H H 7.547 -0.480 1.079 1.00 . A A . 6 ALA H 1 1 5 1246 1 1 6 ALA HA H 9.579 -2.396 1.540 1.00 . A A . 6 ALA HA 1 1 5 1247 1 1 6 ALA HB1 H 8.846 -3.438 -0.522 1.00 . A A . 6 ALA HB1 1 1 5 1248 1 1 6 ALA HB2 H 8.148 -1.922 -1.093 1.00 . A A . 6 ALA HB2 1 1 5 1249 1 1 6 ALA HB3 H 7.425 -2.766 0.276 1.00 . A A . 6 ALA HB3 1 1 5 1250 1 1 6 ALA N N 8.501 -0.592 1.299 1.00 . A A . 6 ALA N 1 1 5 1251 1 1 6 ALA O O 11.601 -1.671 0.206 1.00 . A A . 6 ALA O 1 1 5 1252 1 1 7 CGU C C 12.453 0.861 -0.692 1.00 . A A . 7 CGU C 1 1 5 1253 1 1 7 CGU CA C 11.441 0.269 -1.674 1.00 . A A . 7 CGU CA 1 1 5 1254 1 1 7 CGU CB C 10.934 1.366 -2.610 1.00 . A A . 7 CGU CB 1 1 5 1255 1 1 7 CGU CD1 C 9.173 1.824 -4.367 1.00 . A A . 7 CGU CD1 1 1 5 1256 1 1 7 CGU CD2 C 10.945 0.121 -4.818 1.00 . A A . 7 CGU CD2 1 1 5 1257 1 1 7 CGU CG C 10.058 0.743 -3.721 1.00 . A A . 7 CGU CG 1 1 5 1258 1 1 7 CGU H H 9.388 0.060 -1.067 1.00 . A A . 7 CGU H 1 1 5 1259 1 1 7 CGU HA H 11.911 -0.515 -2.251 1.00 . A A . 7 CGU HA 1 1 5 1260 1 1 7 CGU HB2 H 11.775 1.866 -3.058 1.00 . A A . 7 CGU HB2 1 1 5 1261 1 1 7 CGU HB3 H 10.354 2.086 -2.038 1.00 . A A . 7 CGU HB3 1 1 5 1262 1 1 7 CGU HG H 9.426 -0.033 -3.301 1.00 . A A . 7 CGU HG 1 1 5 1263 1 1 7 CGU N N 10.293 -0.289 -0.909 1.00 . A A . 7 CGU N 1 1 5 1264 1 1 7 CGU O O 13.627 0.538 -0.719 1.00 . A A . 7 CGU O 1 1 5 1265 1 1 7 CGU OE11 O 8.716 1.601 -5.480 1.00 . A A . 7 CGU OE11 1 1 5 1266 1 1 7 CGU OE12 O 8.953 2.846 -3.742 1.00 . A A . 7 CGU OE12 1 1 5 1267 1 1 7 CGU OE21 O 10.386 -0.420 -5.764 1.00 . A A . 7 CGU OE21 1 1 5 1268 1 1 7 CGU OE22 O 12.158 0.194 -4.701 1.00 . A A . 7 CGU OE22 1 1 5 1269 1 1 8 LYS C C 13.571 1.212 2.004 1.00 . A A . 8 LYS C 1 1 5 1270 1 1 8 LYS CA C 12.910 2.327 1.189 1.00 . A A . 8 LYS CA 1 1 5 1271 1 1 8 LYS CB C 12.106 3.238 2.118 1.00 . A A . 8 LYS CB 1 1 5 1272 1 1 8 LYS CD C 11.370 5.635 2.219 1.00 . A A . 8 LYS CD 1 1 5 1273 1 1 8 LYS CE C 10.691 6.767 1.445 1.00 . A A . 8 LYS CE 1 1 5 1274 1 1 8 LYS CG C 11.524 4.408 1.312 1.00 . A A . 8 LYS CG 1 1 5 1275 1 1 8 LYS H H 11.042 1.946 0.193 1.00 . A A . 8 LYS H 1 1 5 1276 1 1 8 LYS HA H 13.667 2.908 0.689 1.00 . A A . 8 LYS HA 1 1 5 1277 1 1 8 LYS HB2 H 11.304 2.669 2.567 1.00 . A A . 8 LYS HB2 1 1 5 1278 1 1 8 LYS HB3 H 12.755 3.618 2.891 1.00 . A A . 8 LYS HB3 1 1 5 1279 1 1 8 LYS HD2 H 10.768 5.374 3.078 1.00 . A A . 8 LYS HD2 1 1 5 1280 1 1 8 LYS HD3 H 12.344 5.962 2.549 1.00 . A A . 8 LYS HD3 1 1 5 1281 1 1 8 LYS HE2 H 10.612 7.642 2.078 1.00 . A A . 8 LYS HE2 1 1 5 1282 1 1 8 LYS HE3 H 11.279 7.007 0.570 1.00 . A A . 8 LYS HE3 1 1 5 1283 1 1 8 LYS HG2 H 12.190 4.647 0.494 1.00 . A A . 8 LYS HG2 1 1 5 1284 1 1 8 LYS HG3 H 10.559 4.130 0.919 1.00 . A A . 8 LYS HG3 1 1 5 1285 1 1 8 LYS HZ1 H 8.916 5.737 1.780 1.00 . A A . 8 LYS HZ1 1 1 5 1286 1 1 8 LYS HZ2 H 9.402 5.758 0.144 1.00 . A A . 8 LYS HZ2 1 1 5 1287 1 1 8 LYS HZ3 H 8.720 7.152 0.857 1.00 . A A . 8 LYS HZ3 1 1 5 1288 1 1 8 LYS N N 11.997 1.716 0.187 1.00 . A A . 8 LYS N 1 1 5 1289 1 1 8 LYS NZ N 9.332 6.322 1.032 1.00 . A A . 8 LYS NZ 1 1 5 1290 1 1 8 LYS O O 14.765 1.224 2.251 1.00 . A A . 8 LYS O 1 1 5 1291 1 1 9 ALA C C 14.487 -1.581 2.460 1.00 . A A . 9 ALA C 1 1 5 1292 1 1 9 ALA CA C 13.353 -0.879 3.224 1.00 . A A . 9 ALA CA 1 1 5 1293 1 1 9 ALA CB C 12.236 -1.883 3.526 1.00 . A A . 9 ALA CB 1 1 5 1294 1 1 9 ALA H H 11.832 0.265 2.205 1.00 . A A . 9 ALA H 1 1 5 1295 1 1 9 ALA HA H 13.741 -0.490 4.155 1.00 . A A . 9 ALA HA 1 1 5 1296 1 1 9 ALA HB1 H 11.296 -1.359 3.615 1.00 . A A . 9 ALA HB1 1 1 5 1297 1 1 9 ALA HB2 H 12.451 -2.391 4.454 1.00 . A A . 9 ALA HB2 1 1 5 1298 1 1 9 ALA HB3 H 12.171 -2.604 2.725 1.00 . A A . 9 ALA HB3 1 1 5 1299 1 1 9 ALA N N 12.795 0.247 2.421 1.00 . A A . 9 ALA N 1 1 5 1300 1 1 9 ALA O O 15.521 -1.907 3.030 1.00 . A A . 9 ALA O 1 1 5 1301 1 1 10 CGU C C 16.506 -1.522 0.087 1.00 . A A . 10 CGU C 1 1 5 1302 1 1 10 CGU CA C 15.405 -2.529 0.446 1.00 . A A . 10 CGU CA 1 1 5 1303 1 1 10 CGU CB C 14.849 -3.191 -0.826 1.00 . A A . 10 CGU CB 1 1 5 1304 1 1 10 CGU CD1 C 15.564 -3.767 -3.199 1.00 . A A . 10 CGU CD1 1 1 5 1305 1 1 10 CGU CD2 C 16.808 -4.732 -1.268 1.00 . A A . 10 CGU CD2 1 1 5 1306 1 1 10 CGU CG C 16.026 -3.497 -1.759 1.00 . A A . 10 CGU CG 1 1 5 1307 1 1 10 CGU H H 13.492 -1.590 0.728 1.00 . A A . 10 CGU H 1 1 5 1308 1 1 10 CGU HA H 15.828 -3.290 1.083 1.00 . A A . 10 CGU HA 1 1 5 1309 1 1 10 CGU HB2 H 14.160 -2.523 -1.320 1.00 . A A . 10 CGU HB2 1 1 5 1310 1 1 10 CGU HB3 H 14.340 -4.109 -0.565 1.00 . A A . 10 CGU HB3 1 1 5 1311 1 1 10 CGU HG H 16.676 -2.642 -1.758 1.00 . A A . 10 CGU HG 1 1 5 1312 1 1 10 CGU N N 14.320 -1.839 1.187 1.00 . A A . 10 CGU N 1 1 5 1313 1 1 10 CGU O O 17.678 -1.799 0.251 1.00 . A A . 10 CGU O 1 1 5 1314 1 1 10 CGU OE11 O 16.435 -3.859 -4.060 1.00 . A A . 10 CGU OE11 1 1 5 1315 1 1 10 CGU OE12 O 14.371 -3.889 -3.419 1.00 . A A . 10 CGU OE12 1 1 5 1316 1 1 10 CGU OE21 O 16.749 -5.030 -0.086 1.00 . A A . 10 CGU OE21 1 1 5 1317 1 1 10 CGU OE22 O 17.473 -5.352 -2.091 1.00 . A A . 10 CGU OE22 1 1 5 1318 1 1 11 PHE C C 18.002 0.942 0.528 1.00 . A A . 11 PHE C 1 1 5 1319 1 1 11 PHE CA C 17.195 0.659 -0.731 1.00 . A A . 11 PHE CA 1 1 5 1320 1 1 11 PHE CB C 16.496 1.913 -1.287 1.00 . A A . 11 PHE CB 1 1 5 1321 1 1 11 PHE CD1 C 17.160 3.594 0.506 1.00 . A A . 11 PHE CD1 1 1 5 1322 1 1 11 PHE CD2 C 17.699 4.070 -1.812 1.00 . A A . 11 PHE CD2 1 1 5 1323 1 1 11 PHE CE1 C 17.709 4.825 0.885 1.00 . A A . 11 PHE CE1 1 1 5 1324 1 1 11 PHE CE2 C 18.256 5.295 -1.428 1.00 . A A . 11 PHE CE2 1 1 5 1325 1 1 11 PHE CG C 17.151 3.212 -0.846 1.00 . A A . 11 PHE CG 1 1 5 1326 1 1 11 PHE CZ C 18.255 5.675 -0.080 1.00 . A A . 11 PHE CZ 1 1 5 1327 1 1 11 PHE H H 15.197 -0.132 -0.495 1.00 . A A . 11 PHE H 1 1 5 1328 1 1 11 PHE HA H 17.860 0.260 -1.483 1.00 . A A . 11 PHE HA 1 1 5 1329 1 1 11 PHE HB2 H 16.517 1.868 -2.365 1.00 . A A . 11 PHE HB2 1 1 5 1330 1 1 11 PHE HB3 H 15.471 1.908 -0.966 1.00 . A A . 11 PHE HB3 1 1 5 1331 1 1 11 PHE HD1 H 16.753 2.939 1.256 1.00 . A A . 11 PHE HD1 1 1 5 1332 1 1 11 PHE HD2 H 17.723 3.771 -2.849 1.00 . A A . 11 PHE HD2 1 1 5 1333 1 1 11 PHE HE1 H 17.713 5.115 1.925 1.00 . A A . 11 PHE HE1 1 1 5 1334 1 1 11 PHE HE2 H 18.678 5.954 -2.172 1.00 . A A . 11 PHE HE2 1 1 5 1335 1 1 11 PHE HZ H 18.678 6.624 0.214 1.00 . A A . 11 PHE HZ 1 1 5 1336 1 1 11 PHE N N 16.150 -0.353 -0.385 1.00 . A A . 11 PHE N 1 1 5 1337 1 1 11 PHE O O 19.208 1.066 0.484 1.00 . A A . 11 PHE O 1 1 5 1338 1 1 12 ALA C C 19.192 0.179 3.065 1.00 . A A . 12 ALA C 1 1 5 1339 1 1 12 ALA CA C 18.098 1.240 2.920 1.00 . A A . 12 ALA CA 1 1 5 1340 1 1 12 ALA CB C 17.132 1.154 4.106 1.00 . A A . 12 ALA CB 1 1 5 1341 1 1 12 ALA H H 16.379 0.863 1.678 1.00 . A A . 12 ALA H 1 1 5 1342 1 1 12 ALA HA H 18.547 2.222 2.888 1.00 . A A . 12 ALA HA 1 1 5 1343 1 1 12 ALA HB1 H 17.686 1.240 5.030 1.00 . A A . 12 ALA HB1 1 1 5 1344 1 1 12 ALA HB2 H 16.616 0.206 4.082 1.00 . A A . 12 ALA HB2 1 1 5 1345 1 1 12 ALA HB3 H 16.411 1.956 4.043 1.00 . A A . 12 ALA HB3 1 1 5 1346 1 1 12 ALA N N 17.354 0.999 1.659 1.00 . A A . 12 ALA N 1 1 5 1347 1 1 12 ALA O O 20.306 0.477 3.447 1.00 . A A . 12 ALA O 1 1 5 1348 1 1 13 ARG C C 21.099 -1.834 1.940 1.00 . A A . 13 ARG C 1 1 5 1349 1 1 13 ARG CA C 19.925 -2.129 2.879 1.00 . A A . 13 ARG CA 1 1 5 1350 1 1 13 ARG CB C 19.311 -3.480 2.509 1.00 . A A . 13 ARG CB 1 1 5 1351 1 1 13 ARG CD C 17.964 -5.409 3.327 1.00 . A A . 13 ARG CD 1 1 5 1352 1 1 13 ARG CG C 18.522 -4.034 3.695 1.00 . A A . 13 ARG CG 1 1 5 1353 1 1 13 ARG CZ C 15.608 -5.271 2.810 1.00 . A A . 13 ARG CZ 1 1 5 1354 1 1 13 ARG H H 17.980 -1.283 2.437 1.00 . A A . 13 ARG H 1 1 5 1355 1 1 13 ARG HA H 20.284 -2.164 3.897 1.00 . A A . 13 ARG HA 1 1 5 1356 1 1 13 ARG HB2 H 18.650 -3.354 1.665 1.00 . A A . 13 ARG HB2 1 1 5 1357 1 1 13 ARG HB3 H 20.099 -4.174 2.248 1.00 . A A . 13 ARG HB3 1 1 5 1358 1 1 13 ARG HD2 H 18.743 -5.999 2.861 1.00 . A A . 13 ARG HD2 1 1 5 1359 1 1 13 ARG HD3 H 17.621 -5.910 4.221 1.00 . A A . 13 ARG HD3 1 1 5 1360 1 1 13 ARG HE H 16.999 -5.111 1.408 1.00 . A A . 13 ARG HE 1 1 5 1361 1 1 13 ARG HG2 H 19.174 -4.125 4.553 1.00 . A A . 13 ARG HG2 1 1 5 1362 1 1 13 ARG HG3 H 17.706 -3.367 3.930 1.00 . A A . 13 ARG HG3 1 1 5 1363 1 1 13 ARG HH11 H 15.409 -7.222 2.502 1.00 . A A . 13 ARG HH11 1 1 5 1364 1 1 13 ARG HH12 H 14.024 -6.420 3.156 1.00 . A A . 13 ARG HH12 1 1 5 1365 1 1 13 ARG HH21 H 15.532 -3.311 3.204 1.00 . A A . 13 ARG HH21 1 1 5 1366 1 1 13 ARG HH22 H 14.098 -4.220 3.563 1.00 . A A . 13 ARG HH22 1 1 5 1367 1 1 13 ARG N N 18.888 -1.059 2.754 1.00 . A A . 13 ARG N 1 1 5 1368 1 1 13 ARG NE N 16.827 -5.240 2.375 1.00 . A A . 13 ARG NE 1 1 5 1369 1 1 13 ARG NH1 N 14.964 -6.389 2.824 1.00 . A A . 13 ARG NH1 1 1 5 1370 1 1 13 ARG NH2 N 15.033 -4.189 3.222 1.00 . A A . 13 ARG NH2 1 1 5 1371 1 1 13 ARG O O 22.210 -1.602 2.377 1.00 . A A . 13 ARG O 1 1 5 1372 1 1 14 CGU C C 22.561 -0.189 -0.021 1.00 . A A . 14 CGU C 1 1 5 1373 1 1 14 CGU CA C 21.968 -1.567 -0.305 1.00 . A A . 14 CGU CA 1 1 5 1374 1 1 14 CGU CB C 21.416 -1.631 -1.731 1.00 . A A . 14 CGU CB 1 1 5 1375 1 1 14 CGU CD1 C 19.645 -3.359 -1.588 1.00 . A A . 14 CGU CD1 1 1 5 1376 1 1 14 CGU CD2 C 21.149 -3.354 -3.570 1.00 . A A . 14 CGU CD2 1 1 5 1377 1 1 14 CGU CG C 21.069 -3.086 -2.055 1.00 . A A . 14 CGU CG 1 1 5 1378 1 1 14 CGU H H 19.968 -2.037 0.318 1.00 . A A . 14 CGU H 1 1 5 1379 1 1 14 CGU HA H 22.739 -2.315 -0.187 1.00 . A A . 14 CGU HA 1 1 5 1380 1 1 14 CGU HB2 H 22.150 -1.270 -2.422 1.00 . A A . 14 CGU HB2 1 1 5 1381 1 1 14 CGU HB3 H 20.523 -1.024 -1.804 1.00 . A A . 14 CGU HB3 1 1 5 1382 1 1 14 CGU HG H 21.749 -3.742 -1.533 1.00 . A A . 14 CGU HG 1 1 5 1383 1 1 14 CGU N N 20.867 -1.844 0.654 1.00 . A A . 14 CGU N 1 1 5 1384 1 1 14 CGU O O 23.758 -0.002 -0.073 1.00 . A A . 14 CGU O 1 1 5 1385 1 1 14 CGU OE11 O 19.487 -3.985 -0.557 1.00 . A A . 14 CGU OE11 1 1 5 1386 1 1 14 CGU OE12 O 18.735 -2.938 -2.279 1.00 . A A . 14 CGU OE12 1 1 5 1387 1 1 14 CGU OE21 O 20.283 -4.063 -4.078 1.00 . A A . 14 CGU OE21 1 1 5 1388 1 1 14 CGU OE22 O 22.070 -2.861 -4.196 1.00 . A A . 14 CGU OE22 1 1 5 1389 1 1 15 LEU C C 23.073 2.059 1.897 1.00 . A A . 15 LEU C 1 1 5 1390 1 1 15 LEU CA C 22.269 2.126 0.598 1.00 . A A . 15 LEU CA 1 1 5 1391 1 1 15 LEU CB C 21.096 3.093 0.723 1.00 . A A . 15 LEU CB 1 1 5 1392 1 1 15 LEU CD1 C 20.999 4.679 -1.209 1.00 . A A . 15 LEU CD1 1 1 5 1393 1 1 15 LEU CD2 C 20.782 2.249 -1.669 1.00 . A A . 15 LEU CD2 1 1 5 1394 1 1 15 LEU CG C 20.474 3.363 -0.656 1.00 . A A . 15 LEU CG 1 1 5 1395 1 1 15 LEU H H 20.773 0.602 0.356 1.00 . A A . 15 LEU H 1 1 5 1396 1 1 15 LEU HA H 22.915 2.450 -0.202 1.00 . A A . 15 LEU HA 1 1 5 1397 1 1 15 LEU HB2 H 20.345 2.665 1.370 1.00 . A A . 15 LEU HB2 1 1 5 1398 1 1 15 LEU HB3 H 21.438 4.026 1.144 1.00 . A A . 15 LEU HB3 1 1 5 1399 1 1 15 LEU HD11 H 22.074 4.651 -1.243 1.00 . A A . 15 LEU HD11 1 1 5 1400 1 1 15 LEU HD12 H 20.675 5.487 -0.571 1.00 . A A . 15 LEU HD12 1 1 5 1401 1 1 15 LEU HD13 H 20.607 4.826 -2.204 1.00 . A A . 15 LEU HD13 1 1 5 1402 1 1 15 LEU HD21 H 20.359 2.514 -2.627 1.00 . A A . 15 LEU HD21 1 1 5 1403 1 1 15 LEU HD22 H 20.346 1.322 -1.334 1.00 . A A . 15 LEU HD22 1 1 5 1404 1 1 15 LEU HD23 H 21.848 2.131 -1.771 1.00 . A A . 15 LEU HD23 1 1 5 1405 1 1 15 LEU HG H 19.419 3.437 -0.531 1.00 . A A . 15 LEU HG 1 1 5 1406 1 1 15 LEU N N 21.741 0.771 0.298 1.00 . A A . 15 LEU N 1 1 5 1407 1 1 15 LEU O O 24.197 2.530 1.965 1.00 . A A . 15 LEU O 1 1 5 1408 1 1 16 ALA C C 24.500 0.415 3.929 1.00 . A A . 16 ALA C 1 1 5 1409 1 1 16 ALA CA C 23.286 1.309 4.192 1.00 . A A . 16 ALA CA 1 1 5 1410 1 1 16 ALA CB C 22.391 0.673 5.260 1.00 . A A . 16 ALA CB 1 1 5 1411 1 1 16 ALA H H 21.632 1.041 2.832 1.00 . A A . 16 ALA H 1 1 5 1412 1 1 16 ALA HA H 23.619 2.283 4.523 1.00 . A A . 16 ALA HA 1 1 5 1413 1 1 16 ALA HB1 H 22.102 -0.318 4.945 1.00 . A A . 16 ALA HB1 1 1 5 1414 1 1 16 ALA HB2 H 21.506 1.279 5.395 1.00 . A A . 16 ALA HB2 1 1 5 1415 1 1 16 ALA HB3 H 22.930 0.611 6.193 1.00 . A A . 16 ALA HB3 1 1 5 1416 1 1 16 ALA N N 22.530 1.442 2.915 1.00 . A A . 16 ALA N 1 1 5 1417 1 1 16 ALA O O 25.577 0.641 4.445 1.00 . A A . 16 ALA O 1 1 5 1418 1 1 17 ASN C C 26.463 -0.712 1.904 1.00 . A A . 17 ASN C 1 1 5 1419 1 1 17 ASN CA C 25.476 -1.491 2.783 1.00 . A A . 17 ASN CA 1 1 5 1420 1 1 17 ASN CB C 24.947 -2.740 2.050 1.00 . A A . 17 ASN CB 1 1 5 1421 1 1 17 ASN CG C 26.096 -3.598 1.508 1.00 . A A . 17 ASN CG 1 1 5 1422 1 1 17 ASN H H 23.450 -0.745 2.694 1.00 . A A . 17 ASN H 1 1 5 1423 1 1 17 ASN HA H 25.970 -1.790 3.698 1.00 . A A . 17 ASN HA 1 1 5 1424 1 1 17 ASN HB2 H 24.367 -3.336 2.741 1.00 . A A . 17 ASN HB2 1 1 5 1425 1 1 17 ASN HB3 H 24.315 -2.438 1.231 1.00 . A A . 17 ASN HB3 1 1 5 1426 1 1 17 ASN HD21 H 27.540 -2.405 2.179 1.00 . A A . 17 ASN HD21 1 1 5 1427 1 1 17 ASN HD22 H 28.060 -3.795 1.339 1.00 . A A . 17 ASN HD22 1 1 5 1428 1 1 17 ASN N N 24.333 -0.592 3.109 1.00 . A A . 17 ASN N 1 1 5 1429 1 1 17 ASN ND2 N 27.333 -3.236 1.691 1.00 . A A . 17 ASN ND2 1 1 5 1430 1 1 17 ASN O O 27.663 -0.831 2.060 1.00 . A A . 17 ASN O 1 1 5 1431 1 1 17 ASN OD1 O 25.857 -4.619 0.902 1.00 . A A . 17 ASN OD1 1 1 5 1432 1 1 18 TYR C C 27.458 2.068 0.942 1.00 . A A . 18 TYR C 1 1 5 1433 1 1 18 TYR CA C 26.880 0.899 0.131 1.00 . A A . 18 TYR CA 1 1 5 1434 1 1 18 TYR CB C 26.092 1.454 -1.062 1.00 . A A . 18 TYR CB 1 1 5 1435 1 1 18 TYR CD1 C 26.291 -0.916 -1.980 1.00 . A A . 18 TYR CD1 1 1 5 1436 1 1 18 TYR CD2 C 24.647 0.590 -2.937 1.00 . A A . 18 TYR CD2 1 1 5 1437 1 1 18 TYR CE1 C 25.884 -1.919 -2.869 1.00 . A A . 18 TYR CE1 1 1 5 1438 1 1 18 TYR CE2 C 24.244 -0.416 -3.823 1.00 . A A . 18 TYR CE2 1 1 5 1439 1 1 18 TYR CG C 25.669 0.345 -2.011 1.00 . A A . 18 TYR CG 1 1 5 1440 1 1 18 TYR CZ C 24.862 -1.669 -3.788 1.00 . A A . 18 TYR CZ 1 1 5 1441 1 1 18 TYR H H 24.997 0.183 0.891 1.00 . A A . 18 TYR H 1 1 5 1442 1 1 18 TYR HA H 27.689 0.279 -0.223 1.00 . A A . 18 TYR HA 1 1 5 1443 1 1 18 TYR HB2 H 25.212 1.961 -0.697 1.00 . A A . 18 TYR HB2 1 1 5 1444 1 1 18 TYR HB3 H 26.709 2.159 -1.592 1.00 . A A . 18 TYR HB3 1 1 5 1445 1 1 18 TYR HD1 H 27.079 -1.117 -1.272 1.00 . A A . 18 TYR HD1 1 1 5 1446 1 1 18 TYR HD2 H 24.167 1.556 -2.966 1.00 . A A . 18 TYR HD2 1 1 5 1447 1 1 18 TYR HE1 H 26.361 -2.888 -2.846 1.00 . A A . 18 TYR HE1 1 1 5 1448 1 1 18 TYR HE2 H 23.455 -0.225 -4.536 1.00 . A A . 18 TYR HE2 1 1 5 1449 1 1 18 TYR HH H 23.510 -2.797 -4.532 1.00 . A A . 18 TYR HH 1 1 5 1450 1 1 18 TYR N N 25.969 0.096 0.997 1.00 . A A . 18 TYR N 1 1 5 1451 1 1 18 TYR O O 28.651 2.283 0.957 1.00 . A A . 18 TYR O 1 1 5 1452 1 1 18 TYR OH O 24.462 -2.658 -4.659 1.00 . A A . 18 TYR OH 1 1 5 1453 1 1 19 NH2 HN1 H 25.681 2.686 1.622 1.00 . A A . 19 NH2 HN1 1 1 5 1454 1 1 19 NH2 HN2 H 27.038 3.599 2.137 1.00 . A A . 19 NH2 HN2 1 1 5 1455 1 1 19 NH2 N N 26.660 2.849 1.622 1.00 . A A . 19 NH2 N 1 1 6 1456 1 1 1 GLY C C 2.684 1.858 0.954 1.00 . A A . 1 GLY C 1 1 6 1457 1 1 1 GLY CA C 1.633 2.798 0.366 1.00 . A A . 1 GLY CA 1 1 6 1458 1 1 1 GLY H1 H 1.112 4.677 1.109 1.00 . A A . 1 GLY H1 1 1 6 1459 1 1 1 GLY H2 H 2.327 4.719 -0.086 1.00 . A A . 1 GLY H2 1 1 6 1460 1 1 1 GLY H3 H 2.694 4.193 1.493 1.00 . A A . 1 GLY H3 1 1 6 1461 1 1 1 GLY HA2 H 0.659 2.535 0.754 1.00 . A A . 1 GLY HA2 1 1 6 1462 1 1 1 GLY HA3 H 1.630 2.705 -0.710 1.00 . A A . 1 GLY HA3 1 1 6 1463 1 1 1 GLY N N 1.964 4.202 0.751 1.00 . A A . 1 GLY N 1 1 6 1464 1 1 1 GLY O O 3.610 2.290 1.608 1.00 . A A . 1 GLY O 1 1 6 1465 1 1 2 GLU C C 4.806 -0.392 0.363 1.00 . A A . 2 GLU C 1 1 6 1466 1 1 2 GLU CA C 3.557 -0.391 1.252 1.00 . A A . 2 GLU CA 1 1 6 1467 1 1 2 GLU CB C 2.944 -1.802 1.288 1.00 . A A . 2 GLU CB 1 1 6 1468 1 1 2 GLU CD C 2.206 -1.591 -1.104 1.00 . A A . 2 GLU CD 1 1 6 1469 1 1 2 GLU CG C 1.752 -1.907 0.321 1.00 . A A . 2 GLU CG 1 1 6 1470 1 1 2 GLU H H 1.811 0.257 0.165 1.00 . A A . 2 GLU H 1 1 6 1471 1 1 2 GLU HA H 3.836 -0.099 2.255 1.00 . A A . 2 GLU HA 1 1 6 1472 1 1 2 GLU HB2 H 3.696 -2.524 1.004 1.00 . A A . 2 GLU HB2 1 1 6 1473 1 1 2 GLU HB3 H 2.607 -2.019 2.291 1.00 . A A . 2 GLU HB3 1 1 6 1474 1 1 2 GLU HG2 H 1.354 -2.910 0.352 1.00 . A A . 2 GLU HG2 1 1 6 1475 1 1 2 GLU HG3 H 0.984 -1.209 0.616 1.00 . A A . 2 GLU HG3 1 1 6 1476 1 1 2 GLU N N 2.559 0.582 0.715 1.00 . A A . 2 GLU N 1 1 6 1477 1 1 2 GLU O O 5.927 -0.394 0.846 1.00 . A A . 2 GLU O 1 1 6 1478 1 1 2 GLU OE1 O 2.084 -0.442 -1.502 1.00 . A A . 2 GLU OE1 1 1 6 1479 1 1 2 GLU OE2 O 2.692 -2.490 -1.765 1.00 . A A . 2 GLU OE2 1 1 6 1480 1 1 3 CGU C C 6.685 0.811 -1.517 1.00 . A A . 3 CGU C 1 1 6 1481 1 1 3 CGU CA C 5.780 -0.373 -1.866 1.00 . A A . 3 CGU CA 1 1 6 1482 1 1 3 CGU CB C 5.254 -0.228 -3.314 1.00 . A A . 3 CGU CB 1 1 6 1483 1 1 3 CGU CD1 C 7.302 -1.349 -4.298 1.00 . A A . 3 CGU CD1 1 1 6 1484 1 1 3 CGU CD2 C 5.936 0.159 -5.719 1.00 . A A . 3 CGU CD2 1 1 6 1485 1 1 3 CGU CG C 6.436 -0.080 -4.287 1.00 . A A . 3 CGU CG 1 1 6 1486 1 1 3 CGU H H 3.704 -0.367 -1.292 1.00 . A A . 3 CGU H 1 1 6 1487 1 1 3 CGU HA H 6.345 -1.293 -1.754 1.00 . A A . 3 CGU HA 1 1 6 1488 1 1 3 CGU HB2 H 4.637 0.658 -3.374 1.00 . A A . 3 CGU HB2 1 1 6 1489 1 1 3 CGU HB3 H 4.656 -1.095 -3.593 1.00 . A A . 3 CGU HB3 1 1 6 1490 1 1 3 CGU HG H 7.037 0.760 -3.981 1.00 . A A . 3 CGU HG 1 1 6 1491 1 1 3 CGU N N 4.620 -0.379 -0.931 1.00 . A A . 3 CGU N 1 1 6 1492 1 1 3 CGU O O 7.895 0.742 -1.641 1.00 . A A . 3 CGU O 1 1 6 1493 1 1 3 CGU OE11 O 8.364 -1.301 -4.900 1.00 . A A . 3 CGU OE11 1 1 6 1494 1 1 3 CGU OE12 O 6.893 -2.345 -3.726 1.00 . A A . 3 CGU OE12 1 1 6 1495 1 1 3 CGU OE21 O 4.740 0.296 -5.908 1.00 . A A . 3 CGU OE21 1 1 6 1496 1 1 3 CGU OE22 O 6.777 0.200 -6.610 1.00 . A A . 3 CGU OE22 1 1 6 1497 1 1 4 CGU C C 7.865 2.691 0.444 1.00 . A A . 4 CGU C 1 1 6 1498 1 1 4 CGU CA C 6.908 3.077 -0.686 1.00 . A A . 4 CGU CA 1 1 6 1499 1 1 4 CGU CB C 5.966 4.186 -0.217 1.00 . A A . 4 CGU CB 1 1 6 1500 1 1 4 CGU CD1 C 6.702 5.917 -1.894 1.00 . A A . 4 CGU CD1 1 1 6 1501 1 1 4 CGU CD2 C 4.356 5.930 -1.015 1.00 . A A . 4 CGU CD2 1 1 6 1502 1 1 4 CGU CG C 5.533 5.035 -1.421 1.00 . A A . 4 CGU CG 1 1 6 1503 1 1 4 CGU H H 5.129 1.905 -0.964 1.00 . A A . 4 CGU H 1 1 6 1504 1 1 4 CGU HA H 7.477 3.417 -1.540 1.00 . A A . 4 CGU HA 1 1 6 1505 1 1 4 CGU HB2 H 6.473 4.813 0.501 1.00 . A A . 4 CGU HB2 1 1 6 1506 1 1 4 CGU HB3 H 5.093 3.743 0.243 1.00 . A A . 4 CGU HB3 1 1 6 1507 1 1 4 CGU HG H 5.226 4.386 -2.228 1.00 . A A . 4 CGU HG 1 1 6 1508 1 1 4 CGU N N 6.103 1.887 -1.065 1.00 . A A . 4 CGU N 1 1 6 1509 1 1 4 CGU O O 9.009 3.104 0.468 1.00 . A A . 4 CGU O 1 1 6 1510 1 1 4 CGU OE11 O 7.523 6.287 -1.064 1.00 . A A . 4 CGU OE11 1 1 6 1511 1 1 4 CGU OE12 O 6.758 6.206 -3.077 1.00 . A A . 4 CGU OE12 1 1 6 1512 1 1 4 CGU OE21 O 3.243 5.425 -0.973 1.00 . A A . 4 CGU OE21 1 1 6 1513 1 1 4 CGU OE22 O 4.584 7.097 -0.741 1.00 . A A . 4 CGU OE22 1 1 6 1514 1 1 5 LEU C C 9.191 0.326 1.986 1.00 . A A . 5 LEU C 1 1 6 1515 1 1 5 LEU CA C 8.289 1.452 2.485 1.00 . A A . 5 LEU CA 1 1 6 1516 1 1 5 LEU CB C 7.431 0.946 3.646 1.00 . A A . 5 LEU CB 1 1 6 1517 1 1 5 LEU CD1 C 5.511 2.557 3.752 1.00 . A A . 5 LEU CD1 1 1 6 1518 1 1 5 LEU CD2 C 6.562 1.734 5.855 1.00 . A A . 5 LEU CD2 1 1 6 1519 1 1 5 LEU CG C 6.828 2.135 4.403 1.00 . A A . 5 LEU CG 1 1 6 1520 1 1 5 LEU H H 6.488 1.554 1.321 1.00 . A A . 5 LEU H 1 1 6 1521 1 1 5 LEU HA H 8.896 2.283 2.815 1.00 . A A . 5 LEU HA 1 1 6 1522 1 1 5 LEU HB2 H 6.637 0.318 3.262 1.00 . A A . 5 LEU HB2 1 1 6 1523 1 1 5 LEU HB3 H 8.048 0.370 4.318 1.00 . A A . 5 LEU HB3 1 1 6 1524 1 1 5 LEU HD11 H 5.713 3.227 2.930 1.00 . A A . 5 LEU HD11 1 1 6 1525 1 1 5 LEU HD12 H 4.894 3.060 4.483 1.00 . A A . 5 LEU HD12 1 1 6 1526 1 1 5 LEU HD13 H 4.992 1.683 3.386 1.00 . A A . 5 LEU HD13 1 1 6 1527 1 1 5 LEU HD21 H 6.565 0.657 5.938 1.00 . A A . 5 LEU HD21 1 1 6 1528 1 1 5 LEU HD22 H 5.600 2.117 6.164 1.00 . A A . 5 LEU HD22 1 1 6 1529 1 1 5 LEU HD23 H 7.333 2.146 6.487 1.00 . A A . 5 LEU HD23 1 1 6 1530 1 1 5 LEU HG H 7.520 2.964 4.378 1.00 . A A . 5 LEU HG 1 1 6 1531 1 1 5 LEU N N 7.409 1.887 1.370 1.00 . A A . 5 LEU N 1 1 6 1532 1 1 5 LEU O O 10.386 0.328 2.216 1.00 . A A . 5 LEU O 1 1 6 1533 1 1 6 ALA C C 10.658 -1.202 0.020 1.00 . A A . 6 ALA C 1 1 6 1534 1 1 6 ALA CA C 9.440 -1.763 0.760 1.00 . A A . 6 ALA CA 1 1 6 1535 1 1 6 ALA CB C 8.587 -2.591 -0.206 1.00 . A A . 6 ALA CB 1 1 6 1536 1 1 6 ALA H H 7.657 -0.598 1.117 1.00 . A A . 6 ALA H 1 1 6 1537 1 1 6 ALA HA H 9.771 -2.387 1.578 1.00 . A A . 6 ALA HA 1 1 6 1538 1 1 6 ALA HB1 H 7.638 -2.819 0.257 1.00 . A A . 6 ALA HB1 1 1 6 1539 1 1 6 ALA HB2 H 9.100 -3.512 -0.442 1.00 . A A . 6 ALA HB2 1 1 6 1540 1 1 6 ALA HB3 H 8.419 -2.029 -1.113 1.00 . A A . 6 ALA HB3 1 1 6 1541 1 1 6 ALA N N 8.624 -0.631 1.293 1.00 . A A . 6 ALA N 1 1 6 1542 1 1 6 ALA O O 11.785 -1.602 0.261 1.00 . A A . 6 ALA O 1 1 6 1543 1 1 7 CGU C C 12.572 0.911 -0.597 1.00 . A A . 7 CGU C 1 1 6 1544 1 1 7 CGU CA C 11.575 0.342 -1.608 1.00 . A A . 7 CGU CA 1 1 6 1545 1 1 7 CGU CB C 11.043 1.467 -2.497 1.00 . A A . 7 CGU CB 1 1 6 1546 1 1 7 CGU CD1 C 9.292 1.942 -4.266 1.00 . A A . 7 CGU CD1 1 1 6 1547 1 1 7 CGU CD2 C 11.149 0.349 -4.766 1.00 . A A . 7 CGU CD2 1 1 6 1548 1 1 7 CGU CG C 10.214 0.869 -3.659 1.00 . A A . 7 CGU CG 1 1 6 1549 1 1 7 CGU H H 9.526 0.053 -1.029 1.00 . A A . 7 CGU H 1 1 6 1550 1 1 7 CGU HA H 12.058 -0.411 -2.216 1.00 . A A . 7 CGU HA 1 1 6 1551 1 1 7 CGU HB2 H 11.874 2.022 -2.902 1.00 . A A . 7 CGU HB2 1 1 6 1552 1 1 7 CGU HB3 H 10.424 2.135 -1.903 1.00 . A A . 7 CGU HB3 1 1 6 1553 1 1 7 CGU HG H 9.609 0.045 -3.293 1.00 . A A . 7 CGU HG 1 1 6 1554 1 1 7 CGU N N 10.440 -0.264 -0.865 1.00 . A A . 7 CGU N 1 1 6 1555 1 1 7 CGU O O 13.751 0.610 -0.626 1.00 . A A . 7 CGU O 1 1 6 1556 1 1 7 CGU OE11 O 9.103 2.970 -3.638 1.00 . A A . 7 CGU OE11 1 1 6 1557 1 1 7 CGU OE12 O 8.782 1.708 -5.354 1.00 . A A . 7 CGU OE12 1 1 6 1558 1 1 7 CGU OE21 O 12.354 0.425 -4.596 1.00 . A A . 7 CGU OE21 1 1 6 1559 1 1 7 CGU OE22 O 10.637 -0.120 -5.777 1.00 . A A . 7 CGU OE22 1 1 6 1560 1 1 8 LYS C C 13.631 1.166 2.153 1.00 . A A . 8 LYS C 1 1 6 1561 1 1 8 LYS CA C 12.987 2.301 1.355 1.00 . A A . 8 LYS CA 1 1 6 1562 1 1 8 LYS CB C 12.161 3.192 2.287 1.00 . A A . 8 LYS CB 1 1 6 1563 1 1 8 LYS CD C 10.498 5.067 2.219 1.00 . A A . 8 LYS CD 1 1 6 1564 1 1 8 LYS CE C 9.822 6.064 1.274 1.00 . A A . 8 LYS CE 1 1 6 1565 1 1 8 LYS CG C 11.717 4.446 1.527 1.00 . A A . 8 LYS CG 1 1 6 1566 1 1 8 LYS H H 11.133 1.926 0.326 1.00 . A A . 8 LYS H 1 1 6 1567 1 1 8 LYS HA H 13.756 2.893 0.882 1.00 . A A . 8 LYS HA 1 1 6 1568 1 1 8 LYS HB2 H 11.295 2.646 2.630 1.00 . A A . 8 LYS HB2 1 1 6 1569 1 1 8 LYS HB3 H 12.765 3.481 3.135 1.00 . A A . 8 LYS HB3 1 1 6 1570 1 1 8 LYS HD2 H 9.796 4.289 2.483 1.00 . A A . 8 LYS HD2 1 1 6 1571 1 1 8 LYS HD3 H 10.815 5.582 3.114 1.00 . A A . 8 LYS HD3 1 1 6 1572 1 1 8 LYS HE2 H 8.927 6.455 1.742 1.00 . A A . 8 LYS HE2 1 1 6 1573 1 1 8 LYS HE3 H 10.501 6.878 1.063 1.00 . A A . 8 LYS HE3 1 1 6 1574 1 1 8 LYS HG2 H 12.528 5.163 1.515 1.00 . A A . 8 LYS HG2 1 1 6 1575 1 1 8 LYS HG3 H 11.459 4.179 0.514 1.00 . A A . 8 LYS HG3 1 1 6 1576 1 1 8 LYS HZ1 H 9.258 4.358 0.204 1.00 . A A . 8 LYS HZ1 1 1 6 1577 1 1 8 LYS HZ2 H 10.256 5.433 -0.666 1.00 . A A . 8 LYS HZ2 1 1 6 1578 1 1 8 LYS HZ3 H 8.607 5.815 -0.420 1.00 . A A . 8 LYS HZ3 1 1 6 1579 1 1 8 LYS N N 12.091 1.718 0.317 1.00 . A A . 8 LYS N 1 1 6 1580 1 1 8 LYS NZ N 9.462 5.367 0.004 1.00 . A A . 8 LYS NZ 1 1 6 1581 1 1 8 LYS O O 14.821 1.166 2.405 1.00 . A A . 8 LYS O 1 1 6 1582 1 1 9 ALA C C 14.548 -1.609 2.519 1.00 . A A . 9 ALA C 1 1 6 1583 1 1 9 ALA CA C 13.411 -0.951 3.313 1.00 . A A . 9 ALA CA 1 1 6 1584 1 1 9 ALA CB C 12.304 -1.979 3.576 1.00 . A A . 9 ALA CB 1 1 6 1585 1 1 9 ALA H H 11.889 0.213 2.315 1.00 . A A . 9 ALA H 1 1 6 1586 1 1 9 ALA HA H 13.796 -0.592 4.257 1.00 . A A . 9 ALA HA 1 1 6 1587 1 1 9 ALA HB1 H 11.378 -1.632 3.141 1.00 . A A . 9 ALA HB1 1 1 6 1588 1 1 9 ALA HB2 H 12.174 -2.104 4.641 1.00 . A A . 9 ALA HB2 1 1 6 1589 1 1 9 ALA HB3 H 12.576 -2.926 3.134 1.00 . A A . 9 ALA HB3 1 1 6 1590 1 1 9 ALA N N 12.851 0.193 2.539 1.00 . A A . 9 ALA N 1 1 6 1591 1 1 9 ALA O O 15.596 -1.916 3.060 1.00 . A A . 9 ALA O 1 1 6 1592 1 1 10 CGU C C 16.542 -1.449 0.131 1.00 . A A . 10 CGU C 1 1 6 1593 1 1 10 CGU CA C 15.431 -2.471 0.444 1.00 . A A . 10 CGU CA 1 1 6 1594 1 1 10 CGU CB C 14.837 -3.036 -0.860 1.00 . A A . 10 CGU CB 1 1 6 1595 1 1 10 CGU CD1 C 15.513 -3.278 -3.296 1.00 . A A . 10 CGU CD1 1 1 6 1596 1 1 10 CGU CD2 C 16.618 -4.688 -1.565 1.00 . A A . 10 CGU CD2 1 1 6 1597 1 1 10 CGU CG C 15.985 -3.310 -1.836 1.00 . A A . 10 CGU CG 1 1 6 1598 1 1 10 CGU H H 13.514 -1.581 0.815 1.00 . A A . 10 CGU H 1 1 6 1599 1 1 10 CGU HA H 15.856 -3.283 1.016 1.00 . A A . 10 CGU HA 1 1 6 1600 1 1 10 CGU HB2 H 14.154 -2.323 -1.296 1.00 . A A . 10 CGU HB2 1 1 6 1601 1 1 10 CGU HB3 H 14.311 -3.956 -0.648 1.00 . A A . 10 CGU HB3 1 1 6 1602 1 1 10 CGU HG H 16.722 -2.547 -1.694 1.00 . A A . 10 CGU HG 1 1 6 1603 1 1 10 CGU N N 14.359 -1.831 1.243 1.00 . A A . 10 CGU N 1 1 6 1604 1 1 10 CGU O O 17.713 -1.742 0.278 1.00 . A A . 10 CGU O 1 1 6 1605 1 1 10 CGU OE11 O 14.316 -3.217 -3.525 1.00 . A A . 10 CGU OE11 1 1 6 1606 1 1 10 CGU OE12 O 16.377 -3.323 -4.167 1.00 . A A . 10 CGU OE12 1 1 6 1607 1 1 10 CGU OE21 O 17.321 -5.177 -2.445 1.00 . A A . 10 CGU OE21 1 1 6 1608 1 1 10 CGU OE22 O 16.405 -5.229 -0.492 1.00 . A A . 10 CGU OE22 1 1 6 1609 1 1 11 PHE C C 18.076 1.000 0.654 1.00 . A A . 11 PHE C 1 1 6 1610 1 1 11 PHE CA C 17.254 0.760 -0.604 1.00 . A A . 11 PHE CA 1 1 6 1611 1 1 11 PHE CB C 16.585 2.044 -1.122 1.00 . A A . 11 PHE CB 1 1 6 1612 1 1 11 PHE CD1 C 17.810 4.250 -1.160 1.00 . A A . 11 PHE CD1 1 1 6 1613 1 1 11 PHE CD2 C 16.855 3.490 0.931 1.00 . A A . 11 PHE CD2 1 1 6 1614 1 1 11 PHE CE1 C 18.248 5.421 -0.530 1.00 . A A . 11 PHE CE1 1 1 6 1615 1 1 11 PHE CE2 C 17.304 4.654 1.563 1.00 . A A . 11 PHE CE2 1 1 6 1616 1 1 11 PHE CG C 17.111 3.284 -0.428 1.00 . A A . 11 PHE CG 1 1 6 1617 1 1 11 PHE CZ C 17.997 5.622 0.831 1.00 . A A . 11 PHE CZ 1 1 6 1618 1 1 11 PHE H H 15.250 -0.019 -0.399 1.00 . A A . 11 PHE H 1 1 6 1619 1 1 11 PHE HA H 17.910 0.377 -1.369 1.00 . A A . 11 PHE HA 1 1 6 1620 1 1 11 PHE HB2 H 16.773 2.133 -2.180 1.00 . A A . 11 PHE HB2 1 1 6 1621 1 1 11 PHE HB3 H 15.522 1.974 -0.964 1.00 . A A . 11 PHE HB3 1 1 6 1622 1 1 11 PHE HD1 H 18.024 4.084 -2.210 1.00 . A A . 11 PHE HD1 1 1 6 1623 1 1 11 PHE HD2 H 16.331 2.740 1.495 1.00 . A A . 11 PHE HD2 1 1 6 1624 1 1 11 PHE HE1 H 18.785 6.170 -1.095 1.00 . A A . 11 PHE HE1 1 1 6 1625 1 1 11 PHE HE2 H 17.109 4.807 2.615 1.00 . A A . 11 PHE HE2 1 1 6 1626 1 1 11 PHE HZ H 18.336 6.526 1.315 1.00 . A A . 11 PHE HZ 1 1 6 1627 1 1 11 PHE N N 16.198 -0.253 -0.293 1.00 . A A . 11 PHE N 1 1 6 1628 1 1 11 PHE O O 19.274 1.196 0.594 1.00 . A A . 11 PHE O 1 1 6 1629 1 1 12 ALA C C 19.300 0.068 3.145 1.00 . A A . 12 ALA C 1 1 6 1630 1 1 12 ALA CA C 18.210 1.140 3.056 1.00 . A A . 12 ALA CA 1 1 6 1631 1 1 12 ALA CB C 17.257 1.011 4.246 1.00 . A A . 12 ALA CB 1 1 6 1632 1 1 12 ALA H H 16.488 0.758 1.825 1.00 . A A . 12 ALA H 1 1 6 1633 1 1 12 ALA HA H 18.668 2.120 3.059 1.00 . A A . 12 ALA HA 1 1 6 1634 1 1 12 ALA HB1 H 17.824 1.003 5.165 1.00 . A A . 12 ALA HB1 1 1 6 1635 1 1 12 ALA HB2 H 16.696 0.091 4.160 1.00 . A A . 12 ALA HB2 1 1 6 1636 1 1 12 ALA HB3 H 16.573 1.848 4.252 1.00 . A A . 12 ALA HB3 1 1 6 1637 1 1 12 ALA N N 17.454 0.946 1.797 1.00 . A A . 12 ALA N 1 1 6 1638 1 1 12 ALA O O 20.428 0.348 3.487 1.00 . A A . 12 ALA O 1 1 6 1639 1 1 13 ARG C C 21.155 -1.952 1.942 1.00 . A A . 13 ARG C 1 1 6 1640 1 1 13 ARG CA C 19.991 -2.247 2.897 1.00 . A A . 13 ARG CA 1 1 6 1641 1 1 13 ARG CB C 19.340 -3.576 2.499 1.00 . A A . 13 ARG CB 1 1 6 1642 1 1 13 ARG CD C 17.415 -5.114 2.908 1.00 . A A . 13 ARG CD 1 1 6 1643 1 1 13 ARG CG C 18.162 -3.881 3.426 1.00 . A A . 13 ARG CG 1 1 6 1644 1 1 13 ARG CZ C 18.393 -6.698 4.453 1.00 . A A . 13 ARG CZ 1 1 6 1645 1 1 13 ARG H H 18.050 -1.363 2.540 1.00 . A A . 13 ARG H 1 1 6 1646 1 1 13 ARG HA H 20.368 -2.322 3.907 1.00 . A A . 13 ARG HA 1 1 6 1647 1 1 13 ARG HB2 H 18.986 -3.508 1.482 1.00 . A A . 13 ARG HB2 1 1 6 1648 1 1 13 ARG HB3 H 20.070 -4.370 2.573 1.00 . A A . 13 ARG HB3 1 1 6 1649 1 1 13 ARG HD2 H 16.446 -5.173 3.383 1.00 . A A . 13 ARG HD2 1 1 6 1650 1 1 13 ARG HD3 H 17.285 -5.030 1.836 1.00 . A A . 13 ARG HD3 1 1 6 1651 1 1 13 ARG HE H 18.574 -6.891 2.494 1.00 . A A . 13 ARG HE 1 1 6 1652 1 1 13 ARG HG2 H 18.527 -4.070 4.425 1.00 . A A . 13 ARG HG2 1 1 6 1653 1 1 13 ARG HG3 H 17.490 -3.037 3.443 1.00 . A A . 13 ARG HG3 1 1 6 1654 1 1 13 ARG HH11 H 16.718 -7.758 4.552 1.00 . A A . 13 ARG HH11 1 1 6 1655 1 1 13 ARG HH12 H 17.665 -7.720 5.996 1.00 . A A . 13 ARG HH12 1 1 6 1656 1 1 13 ARG HH21 H 20.109 -5.713 4.621 1.00 . A A . 13 ARG HH21 1 1 6 1657 1 1 13 ARG HH22 H 19.592 -6.565 6.036 1.00 . A A . 13 ARG HH22 1 1 6 1658 1 1 13 ARG N N 18.971 -1.158 2.827 1.00 . A A . 13 ARG N 1 1 6 1659 1 1 13 ARG NE N 18.204 -6.346 3.221 1.00 . A A . 13 ARG NE 1 1 6 1660 1 1 13 ARG NH1 N 17.527 -7.451 5.046 1.00 . A A . 13 ARG NH1 1 1 6 1661 1 1 13 ARG NH2 N 19.444 -6.296 5.086 1.00 . A A . 13 ARG NH2 1 1 6 1662 1 1 13 ARG O O 22.289 -1.789 2.358 1.00 . A A . 13 ARG O 1 1 6 1663 1 1 14 CGU C C 22.659 -0.303 -0.053 1.00 . A A . 14 CGU C 1 1 6 1664 1 1 14 CGU CA C 21.972 -1.647 -0.321 1.00 . A A . 14 CGU CA 1 1 6 1665 1 1 14 CGU CB C 21.377 -1.664 -1.736 1.00 . A A . 14 CGU CB 1 1 6 1666 1 1 14 CGU CD1 C 19.570 -3.363 -1.702 1.00 . A A . 14 CGU CD1 1 1 6 1667 1 1 14 CGU CD2 C 21.150 -3.332 -3.626 1.00 . A A . 14 CGU CD2 1 1 6 1668 1 1 14 CGU CG C 21.016 -3.106 -2.107 1.00 . A A . 14 CGU CG 1 1 6 1669 1 1 14 CGU H H 19.975 -2.055 0.347 1.00 . A A . 14 CGU H 1 1 6 1670 1 1 14 CGU HA H 22.708 -2.432 -0.244 1.00 . A A . 14 CGU HA 1 1 6 1671 1 1 14 CGU HB2 H 22.094 -1.279 -2.436 1.00 . A A . 14 CGU HB2 1 1 6 1672 1 1 14 CGU HB3 H 20.484 -1.055 -1.764 1.00 . A A . 14 CGU HB3 1 1 6 1673 1 1 14 CGU HG H 21.663 -3.787 -1.578 1.00 . A A . 14 CGU HG 1 1 6 1674 1 1 14 CGU N N 20.889 -1.903 0.663 1.00 . A A . 14 CGU N 1 1 6 1675 1 1 14 CGU O O 23.867 -0.216 -0.085 1.00 . A A . 14 CGU O 1 1 6 1676 1 1 14 CGU OE11 O 19.358 -4.099 -0.759 1.00 . A A . 14 CGU OE11 1 1 6 1677 1 1 14 CGU OE12 O 18.698 -2.821 -2.357 1.00 . A A . 14 CGU OE12 1 1 6 1678 1 1 14 CGU OE21 O 20.206 -3.846 -4.227 1.00 . A A . 14 CGU OE21 1 1 6 1679 1 1 14 CGU OE22 O 22.189 -2.997 -4.166 1.00 . A A . 14 CGU OE22 1 1 6 1680 1 1 15 LEU C C 23.212 2.108 1.837 1.00 . A A . 15 LEU C 1 1 6 1681 1 1 15 LEU CA C 22.581 2.061 0.438 1.00 . A A . 15 LEU CA 1 1 6 1682 1 1 15 LEU CB C 21.549 3.181 0.240 1.00 . A A . 15 LEU CB 1 1 6 1683 1 1 15 LEU CD1 C 20.385 2.438 -1.854 1.00 . A A . 15 LEU CD1 1 1 6 1684 1 1 15 LEU CD2 C 20.860 4.858 -1.482 1.00 . A A . 15 LEU CD2 1 1 6 1685 1 1 15 LEU CG C 21.378 3.440 -1.264 1.00 . A A . 15 LEU CG 1 1 6 1686 1 1 15 LEU H H 20.943 0.683 0.219 1.00 . A A . 15 LEU H 1 1 6 1687 1 1 15 LEU HA H 23.375 2.181 -0.284 1.00 . A A . 15 LEU HA 1 1 6 1688 1 1 15 LEU HB2 H 20.598 2.881 0.663 1.00 . A A . 15 LEU HB2 1 1 6 1689 1 1 15 LEU HB3 H 21.887 4.085 0.722 1.00 . A A . 15 LEU HB3 1 1 6 1690 1 1 15 LEU HD11 H 20.829 1.453 -1.860 1.00 . A A . 15 LEU HD11 1 1 6 1691 1 1 15 LEU HD12 H 20.139 2.727 -2.864 1.00 . A A . 15 LEU HD12 1 1 6 1692 1 1 15 LEU HD13 H 19.490 2.426 -1.255 1.00 . A A . 15 LEU HD13 1 1 6 1693 1 1 15 LEU HD21 H 20.010 4.832 -2.147 1.00 . A A . 15 LEU HD21 1 1 6 1694 1 1 15 LEU HD22 H 21.639 5.462 -1.918 1.00 . A A . 15 LEU HD22 1 1 6 1695 1 1 15 LEU HD23 H 20.566 5.282 -0.533 1.00 . A A . 15 LEU HD23 1 1 6 1696 1 1 15 LEU HG H 22.327 3.328 -1.765 1.00 . A A . 15 LEU HG 1 1 6 1697 1 1 15 LEU N N 21.923 0.749 0.199 1.00 . A A . 15 LEU N 1 1 6 1698 1 1 15 LEU O O 24.319 2.592 1.996 1.00 . A A . 15 LEU O 1 1 6 1699 1 1 16 ALA C C 24.457 0.749 4.162 1.00 . A A . 16 ALA C 1 1 6 1700 1 1 16 ALA CA C 23.193 1.614 4.204 1.00 . A A . 16 ALA CA 1 1 6 1701 1 1 16 ALA CB C 22.222 1.062 5.254 1.00 . A A . 16 ALA CB 1 1 6 1702 1 1 16 ALA H H 21.675 1.180 2.720 1.00 . A A . 16 ALA H 1 1 6 1703 1 1 16 ALA HA H 23.463 2.629 4.459 1.00 . A A . 16 ALA HA 1 1 6 1704 1 1 16 ALA HB1 H 22.656 1.168 6.238 1.00 . A A . 16 ALA HB1 1 1 6 1705 1 1 16 ALA HB2 H 22.029 0.017 5.056 1.00 . A A . 16 ALA HB2 1 1 6 1706 1 1 16 ALA HB3 H 21.293 1.614 5.210 1.00 . A A . 16 ALA HB3 1 1 6 1707 1 1 16 ALA N N 22.559 1.594 2.849 1.00 . A A . 16 ALA N 1 1 6 1708 1 1 16 ALA O O 25.421 1.003 4.858 1.00 . A A . 16 ALA O 1 1 6 1709 1 1 17 ASN C C 26.594 -0.595 2.129 1.00 . A A . 17 ASN C 1 1 6 1710 1 1 17 ASN CA C 25.672 -1.143 3.224 1.00 . A A . 17 ASN CA 1 1 6 1711 1 1 17 ASN CB C 25.249 -2.580 2.881 1.00 . A A . 17 ASN CB 1 1 6 1712 1 1 17 ASN CG C 26.430 -3.537 3.069 1.00 . A A . 17 ASN CG 1 1 6 1713 1 1 17 ASN H H 23.676 -0.437 2.770 1.00 . A A . 17 ASN H 1 1 6 1714 1 1 17 ASN HA H 26.201 -1.140 4.167 1.00 . A A . 17 ASN HA 1 1 6 1715 1 1 17 ASN HB2 H 24.445 -2.886 3.536 1.00 . A A . 17 ASN HB2 1 1 6 1716 1 1 17 ASN HB3 H 24.916 -2.622 1.857 1.00 . A A . 17 ASN HB3 1 1 6 1717 1 1 17 ASN HD21 H 27.817 -2.167 2.656 1.00 . A A . 17 ASN HD21 1 1 6 1718 1 1 17 ASN HD22 H 28.403 -3.729 3.028 1.00 . A A . 17 ASN HD22 1 1 6 1719 1 1 17 ASN N N 24.464 -0.265 3.330 1.00 . A A . 17 ASN N 1 1 6 1720 1 1 17 ASN ND2 N 27.650 -3.110 2.903 1.00 . A A . 17 ASN ND2 1 1 6 1721 1 1 17 ASN O O 27.798 -0.759 2.188 1.00 . A A . 17 ASN O 1 1 6 1722 1 1 17 ASN OD1 O 26.237 -4.696 3.364 1.00 . A A . 17 ASN OD1 1 1 6 1723 1 1 18 TYR C C 27.808 1.707 0.629 1.00 . A A . 18 TYR C 1 1 6 1724 1 1 18 TYR CA C 26.899 0.618 0.047 1.00 . A A . 18 TYR CA 1 1 6 1725 1 1 18 TYR CB C 26.005 1.230 -1.035 1.00 . A A . 18 TYR CB 1 1 6 1726 1 1 18 TYR CD1 C 27.711 1.227 -2.897 1.00 . A A . 18 TYR CD1 1 1 6 1727 1 1 18 TYR CD2 C 26.812 3.346 -2.141 1.00 . A A . 18 TYR CD2 1 1 6 1728 1 1 18 TYR CE1 C 28.505 1.898 -3.835 1.00 . A A . 18 TYR CE1 1 1 6 1729 1 1 18 TYR CE2 C 27.606 4.015 -3.079 1.00 . A A . 18 TYR CE2 1 1 6 1730 1 1 18 TYR CG C 26.864 1.952 -2.048 1.00 . A A . 18 TYR CG 1 1 6 1731 1 1 18 TYR CZ C 28.449 3.291 -3.926 1.00 . A A . 18 TYR CZ 1 1 6 1732 1 1 18 TYR H H 25.070 0.173 1.105 1.00 . A A . 18 TYR H 1 1 6 1733 1 1 18 TYR HA H 27.505 -0.167 -0.384 1.00 . A A . 18 TYR HA 1 1 6 1734 1 1 18 TYR HB2 H 25.445 0.447 -1.529 1.00 . A A . 18 TYR HB2 1 1 6 1735 1 1 18 TYR HB3 H 25.321 1.931 -0.580 1.00 . A A . 18 TYR HB3 1 1 6 1736 1 1 18 TYR HD1 H 27.752 0.150 -2.828 1.00 . A A . 18 TYR HD1 1 1 6 1737 1 1 18 TYR HD2 H 26.162 3.905 -1.486 1.00 . A A . 18 TYR HD2 1 1 6 1738 1 1 18 TYR HE1 H 29.159 1.341 -4.492 1.00 . A A . 18 TYR HE1 1 1 6 1739 1 1 18 TYR HE2 H 27.565 5.091 -3.151 1.00 . A A . 18 TYR HE2 1 1 6 1740 1 1 18 TYR HH H 30.055 4.183 -4.422 1.00 . A A . 18 TYR HH 1 1 6 1741 1 1 18 TYR N N 26.045 0.053 1.136 1.00 . A A . 18 TYR N 1 1 6 1742 1 1 18 TYR O O 28.989 1.746 0.359 1.00 . A A . 18 TYR O 1 1 6 1743 1 1 18 TYR OH O 29.228 3.951 -4.848 1.00 . A A . 18 TYR OH 1 1 6 1744 1 1 19 NH2 HN1 H 26.332 2.575 1.641 1.00 . A A . 19 NH2 HN1 1 1 6 1745 1 1 19 NH2 HN2 H 27.869 3.313 1.794 1.00 . A A . 19 NH2 HN2 1 1 6 1746 1 1 19 NH2 N N 27.294 2.606 1.420 1.00 . A A . 19 NH2 N 1 1 7 1747 1 1 1 GLY C C 3.721 2.498 1.351 1.00 . A A . 1 GLY C 1 1 7 1748 1 1 1 GLY CA C 2.962 3.829 1.242 1.00 . A A . 1 GLY CA 1 1 7 1749 1 1 1 GLY H1 H 3.444 5.308 -0.153 1.00 . A A . 1 GLY H1 1 1 7 1750 1 1 1 GLY H2 H 2.065 4.394 -0.556 1.00 . A A . 1 GLY H2 1 1 7 1751 1 1 1 GLY H3 H 3.619 3.720 -0.742 1.00 . A A . 1 GLY H3 1 1 7 1752 1 1 1 GLY HA2 H 3.410 4.550 1.912 1.00 . A A . 1 GLY HA2 1 1 7 1753 1 1 1 GLY HA3 H 1.930 3.675 1.523 1.00 . A A . 1 GLY HA3 1 1 7 1754 1 1 1 GLY N N 3.023 4.350 -0.155 1.00 . A A . 1 GLY N 1 1 7 1755 1 1 1 GLY O O 4.928 2.474 1.493 1.00 . A A . 1 GLY O 1 1 7 1756 1 1 2 GLU C C 4.841 -0.099 0.450 1.00 . A A . 2 GLU C 1 1 7 1757 1 1 2 GLU CA C 3.672 0.054 1.439 1.00 . A A . 2 GLU CA 1 1 7 1758 1 1 2 GLU CB C 2.627 -1.032 1.159 1.00 . A A . 2 GLU CB 1 1 7 1759 1 1 2 GLU CD C 2.196 -3.497 1.109 1.00 . A A . 2 GLU CD 1 1 7 1760 1 1 2 GLU CG C 3.226 -2.415 1.440 1.00 . A A . 2 GLU CG 1 1 7 1761 1 1 2 GLU H H 2.041 1.447 1.213 1.00 . A A . 2 GLU H 1 1 7 1762 1 1 2 GLU HA H 4.042 -0.065 2.446 1.00 . A A . 2 GLU HA 1 1 7 1763 1 1 2 GLU HB2 H 1.768 -0.877 1.796 1.00 . A A . 2 GLU HB2 1 1 7 1764 1 1 2 GLU HB3 H 2.320 -0.980 0.125 1.00 . A A . 2 GLU HB3 1 1 7 1765 1 1 2 GLU HG2 H 4.106 -2.560 0.830 1.00 . A A . 2 GLU HG2 1 1 7 1766 1 1 2 GLU HG3 H 3.495 -2.488 2.483 1.00 . A A . 2 GLU HG3 1 1 7 1767 1 1 2 GLU N N 3.014 1.396 1.309 1.00 . A A . 2 GLU N 1 1 7 1768 1 1 2 GLU O O 5.968 -0.347 0.844 1.00 . A A . 2 GLU O 1 1 7 1769 1 1 2 GLU OE1 O 1.946 -3.706 -0.068 1.00 . A A . 2 GLU OE1 1 1 7 1770 1 1 2 GLU OE2 O 1.675 -4.093 2.036 1.00 . A A . 2 GLU OE2 1 1 7 1771 1 1 3 CGU C C 6.825 0.858 -1.479 1.00 . A A . 3 CGU C 1 1 7 1772 1 1 3 CGU CA C 5.688 -0.110 -1.826 1.00 . A A . 3 CGU CA 1 1 7 1773 1 1 3 CGU CB C 5.154 0.207 -3.243 1.00 . A A . 3 CGU CB 1 1 7 1774 1 1 3 CGU CD1 C 6.943 -1.287 -4.235 1.00 . A A . 3 CGU CD1 1 1 7 1775 1 1 3 CGU CD2 C 5.829 0.391 -5.679 1.00 . A A . 3 CGU CD2 1 1 7 1776 1 1 3 CGU CG C 6.311 0.114 -4.250 1.00 . A A . 3 CGU CG 1 1 7 1777 1 1 3 CGU H H 3.677 0.236 -1.124 1.00 . A A . 3 CGU H 1 1 7 1778 1 1 3 CGU HA H 6.071 -1.123 -1.785 1.00 . A A . 3 CGU HA 1 1 7 1779 1 1 3 CGU HB2 H 4.758 1.213 -3.254 1.00 . A A . 3 CGU HB2 1 1 7 1780 1 1 3 CGU HB3 H 4.364 -0.489 -3.522 1.00 . A A . 3 CGU HB3 1 1 7 1781 1 1 3 CGU HG H 7.056 0.846 -3.987 1.00 . A A . 3 CGU HG 1 1 7 1782 1 1 3 CGU N N 4.588 0.042 -0.826 1.00 . A A . 3 CGU N 1 1 7 1783 1 1 3 CGU O O 7.982 0.479 -1.418 1.00 . A A . 3 CGU O 1 1 7 1784 1 1 3 CGU OE11 O 8.044 -1.413 -4.748 1.00 . A A . 3 CGU OE11 1 1 7 1785 1 1 3 CGU OE12 O 6.318 -2.208 -3.742 1.00 . A A . 3 CGU OE12 1 1 7 1786 1 1 3 CGU OE21 O 6.626 0.191 -6.589 1.00 . A A . 3 CGU OE21 1 1 7 1787 1 1 3 CGU OE22 O 4.690 0.795 -5.846 1.00 . A A . 3 CGU OE22 1 1 7 1788 1 1 4 CGU C C 8.363 2.573 0.261 1.00 . A A . 4 CGU C 1 1 7 1789 1 1 4 CGU CA C 7.525 3.109 -0.895 1.00 . A A . 4 CGU CA 1 1 7 1790 1 1 4 CGU CB C 6.812 4.395 -0.477 1.00 . A A . 4 CGU CB 1 1 7 1791 1 1 4 CGU CD1 C 5.410 6.317 -1.288 1.00 . A A . 4 CGU CD1 1 1 7 1792 1 1 4 CGU CD2 C 5.257 4.125 -2.457 1.00 . A A . 4 CGU CD2 1 1 7 1793 1 1 4 CGU CG C 6.209 5.085 -1.725 1.00 . A A . 4 CGU CG 1 1 7 1794 1 1 4 CGU H H 5.555 2.368 -1.304 1.00 . A A . 4 CGU H 1 1 7 1795 1 1 4 CGU HA H 8.159 3.303 -1.747 1.00 . A A . 4 CGU HA 1 1 7 1796 1 1 4 CGU HB2 H 7.513 5.056 0.017 1.00 . A A . 4 CGU HB2 1 1 7 1797 1 1 4 CGU HB3 H 6.015 4.143 0.213 1.00 . A A . 4 CGU HB3 1 1 7 1798 1 1 4 CGU HG H 6.996 5.388 -2.412 1.00 . A A . 4 CGU HG 1 1 7 1799 1 1 4 CGU N N 6.496 2.098 -1.249 1.00 . A A . 4 CGU N 1 1 7 1800 1 1 4 CGU O O 9.580 2.560 0.209 1.00 . A A . 4 CGU O 1 1 7 1801 1 1 4 CGU OE11 O 5.635 7.374 -1.849 1.00 . A A . 4 CGU OE11 1 1 7 1802 1 1 4 CGU OE12 O 4.587 6.181 -0.397 1.00 . A A . 4 CGU OE12 1 1 7 1803 1 1 4 CGU OE21 O 5.311 4.083 -3.673 1.00 . A A . 4 CGU OE21 1 1 7 1804 1 1 4 CGU OE22 O 4.492 3.441 -1.789 1.00 . A A . 4 CGU OE22 1 1 7 1805 1 1 5 LEU C C 9.233 0.306 1.966 1.00 . A A . 5 LEU C 1 1 7 1806 1 1 5 LEU CA C 8.464 1.534 2.447 1.00 . A A . 5 LEU CA 1 1 7 1807 1 1 5 LEU CB C 7.485 1.140 3.554 1.00 . A A . 5 LEU CB 1 1 7 1808 1 1 5 LEU CD1 C 5.893 2.896 4.415 1.00 . A A . 5 LEU CD1 1 1 7 1809 1 1 5 LEU CD2 C 7.551 1.842 5.950 1.00 . A A . 5 LEU CD2 1 1 7 1810 1 1 5 LEU CG C 7.309 2.322 4.521 1.00 . A A . 5 LEU CG 1 1 7 1811 1 1 5 LEU H H 6.731 2.105 1.303 1.00 . A A . 5 LEU H 1 1 7 1812 1 1 5 LEU HA H 9.162 2.267 2.823 1.00 . A A . 5 LEU HA 1 1 7 1813 1 1 5 LEU HB2 H 6.531 0.874 3.114 1.00 . A A . 5 LEU HB2 1 1 7 1814 1 1 5 LEU HB3 H 7.878 0.291 4.094 1.00 . A A . 5 LEU HB3 1 1 7 1815 1 1 5 LEU HD11 H 5.172 2.096 4.483 1.00 . A A . 5 LEU HD11 1 1 7 1816 1 1 5 LEU HD12 H 5.779 3.404 3.470 1.00 . A A . 5 LEU HD12 1 1 7 1817 1 1 5 LEU HD13 H 5.729 3.597 5.222 1.00 . A A . 5 LEU HD13 1 1 7 1818 1 1 5 LEU HD21 H 7.502 2.682 6.625 1.00 . A A . 5 LEU HD21 1 1 7 1819 1 1 5 LEU HD22 H 8.526 1.382 6.018 1.00 . A A . 5 LEU HD22 1 1 7 1820 1 1 5 LEU HD23 H 6.795 1.121 6.218 1.00 . A A . 5 LEU HD23 1 1 7 1821 1 1 5 LEU HG H 8.024 3.094 4.276 1.00 . A A . 5 LEU HG 1 1 7 1822 1 1 5 LEU N N 7.715 2.102 1.296 1.00 . A A . 5 LEU N 1 1 7 1823 1 1 5 LEU O O 10.417 0.171 2.212 1.00 . A A . 5 LEU O 1 1 7 1824 1 1 6 ALA C C 10.520 -1.319 -0.036 1.00 . A A . 6 ALA C 1 1 7 1825 1 1 6 ALA CA C 9.279 -1.784 0.733 1.00 . A A . 6 ALA CA 1 1 7 1826 1 1 6 ALA CB C 8.342 -2.555 -0.201 1.00 . A A . 6 ALA CB 1 1 7 1827 1 1 6 ALA H H 7.621 -0.436 1.055 1.00 . A A . 6 ALA H 1 1 7 1828 1 1 6 ALA HA H 9.579 -2.418 1.555 1.00 . A A . 6 ALA HA 1 1 7 1829 1 1 6 ALA HB1 H 7.704 -1.861 -0.726 1.00 . A A . 6 ALA HB1 1 1 7 1830 1 1 6 ALA HB2 H 7.733 -3.233 0.379 1.00 . A A . 6 ALA HB2 1 1 7 1831 1 1 6 ALA HB3 H 8.924 -3.118 -0.916 1.00 . A A . 6 ALA HB3 1 1 7 1832 1 1 6 ALA N N 8.575 -0.579 1.257 1.00 . A A . 6 ALA N 1 1 7 1833 1 1 6 ALA O O 11.621 -1.786 0.197 1.00 . A A . 6 ALA O 1 1 7 1834 1 1 7 CGU C C 12.503 0.750 -0.679 1.00 . A A . 7 CGU C 1 1 7 1835 1 1 7 CGU CA C 11.514 0.155 -1.684 1.00 . A A . 7 CGU CA 1 1 7 1836 1 1 7 CGU CB C 11.032 1.249 -2.638 1.00 . A A . 7 CGU CB 1 1 7 1837 1 1 7 CGU CD1 C 9.286 1.711 -4.410 1.00 . A A . 7 CGU CD1 1 1 7 1838 1 1 7 CGU CD2 C 11.025 -0.020 -4.830 1.00 . A A . 7 CGU CD2 1 1 7 1839 1 1 7 CGU CG C 10.149 0.626 -3.743 1.00 . A A . 7 CGU CG 1 1 7 1840 1 1 7 CGU H H 9.457 0.004 -1.078 1.00 . A A . 7 CGU H 1 1 7 1841 1 1 7 CGU HA H 11.985 -0.642 -2.243 1.00 . A A . 7 CGU HA 1 1 7 1842 1 1 7 CGU HB2 H 11.884 1.727 -3.089 1.00 . A A . 7 CGU HB2 1 1 7 1843 1 1 7 CGU HB3 H 10.463 1.988 -2.078 1.00 . A A . 7 CGU HB3 1 1 7 1844 1 1 7 CGU HG H 9.506 -0.133 -3.312 1.00 . A A . 7 CGU HG 1 1 7 1845 1 1 7 CGU N N 10.352 -0.375 -0.927 1.00 . A A . 7 CGU N 1 1 7 1846 1 1 7 CGU O O 13.678 0.434 -0.676 1.00 . A A . 7 CGU O 1 1 7 1847 1 1 7 CGU OE11 O 8.819 1.468 -5.515 1.00 . A A . 7 CGU OE11 1 1 7 1848 1 1 7 CGU OE12 O 9.098 2.756 -3.813 1.00 . A A . 7 CGU OE12 1 1 7 1849 1 1 7 CGU OE21 O 12.236 0.111 -4.759 1.00 . A A . 7 CGU OE21 1 1 7 1850 1 1 7 CGU OE22 O 10.459 -0.633 -5.727 1.00 . A A . 7 CGU OE22 1 1 7 1851 1 1 8 LYS C C 13.613 1.091 1.987 1.00 . A A . 8 LYS C 1 1 7 1852 1 1 8 LYS CA C 12.883 2.207 1.238 1.00 . A A . 8 LYS CA 1 1 7 1853 1 1 8 LYS CB C 12.005 2.979 2.228 1.00 . A A . 8 LYS CB 1 1 7 1854 1 1 8 LYS CD C 11.448 5.215 1.218 1.00 . A A . 8 LYS CD 1 1 7 1855 1 1 8 LYS CE C 11.930 4.987 -0.217 1.00 . A A . 8 LYS CE 1 1 7 1856 1 1 8 LYS CG C 12.360 4.471 2.207 1.00 . A A . 8 LYS CG 1 1 7 1857 1 1 8 LYS H H 11.051 1.807 0.177 1.00 . A A . 8 LYS H 1 1 7 1858 1 1 8 LYS HA H 13.593 2.875 0.784 1.00 . A A . 8 LYS HA 1 1 7 1859 1 1 8 LYS HB2 H 10.968 2.852 1.957 1.00 . A A . 8 LYS HB2 1 1 7 1860 1 1 8 LYS HB3 H 12.163 2.589 3.222 1.00 . A A . 8 LYS HB3 1 1 7 1861 1 1 8 LYS HD2 H 10.436 4.850 1.318 1.00 . A A . 8 LYS HD2 1 1 7 1862 1 1 8 LYS HD3 H 11.469 6.274 1.436 1.00 . A A . 8 LYS HD3 1 1 7 1863 1 1 8 LYS HE2 H 11.883 3.932 -0.450 1.00 . A A . 8 LYS HE2 1 1 7 1864 1 1 8 LYS HE3 H 11.296 5.535 -0.901 1.00 . A A . 8 LYS HE3 1 1 7 1865 1 1 8 LYS HG2 H 12.224 4.883 3.198 1.00 . A A . 8 LYS HG2 1 1 7 1866 1 1 8 LYS HG3 H 13.390 4.591 1.911 1.00 . A A . 8 LYS HG3 1 1 7 1867 1 1 8 LYS HZ1 H 13.356 6.351 -0.896 1.00 . A A . 8 LYS HZ1 1 1 7 1868 1 1 8 LYS HZ2 H 13.912 4.748 -0.820 1.00 . A A . 8 LYS HZ2 1 1 7 1869 1 1 8 LYS HZ3 H 13.723 5.656 0.605 1.00 . A A . 8 LYS HZ3 1 1 7 1870 1 1 8 LYS N N 12.011 1.593 0.195 1.00 . A A . 8 LYS N 1 1 7 1871 1 1 8 LYS NZ N 13.335 5.471 -0.343 1.00 . A A . 8 LYS NZ 1 1 7 1872 1 1 8 LYS O O 14.813 1.139 2.198 1.00 . A A . 8 LYS O 1 1 7 1873 1 1 9 ALA C C 14.627 -1.673 2.338 1.00 . A A . 9 ALA C 1 1 7 1874 1 1 9 ALA CA C 13.474 -1.052 3.136 1.00 . A A . 9 ALA CA 1 1 7 1875 1 1 9 ALA CB C 12.390 -2.107 3.390 1.00 . A A . 9 ALA CB 1 1 7 1876 1 1 9 ALA H H 11.909 0.093 2.199 1.00 . A A . 9 ALA H 1 1 7 1877 1 1 9 ALA HA H 13.851 -0.696 4.084 1.00 . A A . 9 ALA HA 1 1 7 1878 1 1 9 ALA HB1 H 12.333 -2.318 4.446 1.00 . A A . 9 ALA HB1 1 1 7 1879 1 1 9 ALA HB2 H 12.632 -3.012 2.854 1.00 . A A . 9 ALA HB2 1 1 7 1880 1 1 9 ALA HB3 H 11.436 -1.733 3.048 1.00 . A A . 9 ALA HB3 1 1 7 1881 1 1 9 ALA N N 12.877 0.089 2.389 1.00 . A A . 9 ALA N 1 1 7 1882 1 1 9 ALA O O 15.720 -1.840 2.848 1.00 . A A . 9 ALA O 1 1 7 1883 1 1 10 CGU C C 16.569 -1.577 -0.005 1.00 . A A . 10 CGU C 1 1 7 1884 1 1 10 CGU CA C 15.498 -2.636 0.310 1.00 . A A . 10 CGU CA 1 1 7 1885 1 1 10 CGU CB C 14.943 -3.236 -0.995 1.00 . A A . 10 CGU CB 1 1 7 1886 1 1 10 CGU CD1 C 15.706 -3.634 -3.389 1.00 . A A . 10 CGU CD1 1 1 7 1887 1 1 10 CGU CD2 C 16.817 -4.843 -1.526 1.00 . A A . 10 CGU CD2 1 1 7 1888 1 1 10 CGU CG C 16.126 -3.525 -1.919 1.00 . A A . 10 CGU CG 1 1 7 1889 1 1 10 CGU H H 13.525 -1.890 0.689 1.00 . A A . 10 CGU H 1 1 7 1890 1 1 10 CGU HA H 15.951 -3.425 0.895 1.00 . A A . 10 CGU HA 1 1 7 1891 1 1 10 CGU HB2 H 14.274 -2.536 -1.470 1.00 . A A . 10 CGU HB2 1 1 7 1892 1 1 10 CGU HB3 H 14.414 -4.153 -0.776 1.00 . A A . 10 CGU HB3 1 1 7 1893 1 1 10 CGU HG H 16.822 -2.716 -1.816 1.00 . A A . 10 CGU HG 1 1 7 1894 1 1 10 CGU N N 14.404 -2.024 1.097 1.00 . A A . 10 CGU N 1 1 7 1895 1 1 10 CGU O O 17.752 -1.831 0.123 1.00 . A A . 10 CGU O 1 1 7 1896 1 1 10 CGU OE11 O 14.520 -3.708 -3.658 1.00 . A A . 10 CGU OE11 1 1 7 1897 1 1 10 CGU OE12 O 16.605 -3.656 -4.227 1.00 . A A . 10 CGU OE12 1 1 7 1898 1 1 10 CGU OE21 O 16.558 -5.339 -0.442 1.00 . A A . 10 CGU OE21 1 1 7 1899 1 1 10 CGU OE22 O 17.605 -5.335 -2.328 1.00 . A A . 10 CGU OE22 1 1 7 1900 1 1 11 PHE C C 17.968 0.937 0.568 1.00 . A A . 11 PHE C 1 1 7 1901 1 1 11 PHE CA C 17.183 0.666 -0.705 1.00 . A A . 11 PHE CA 1 1 7 1902 1 1 11 PHE CB C 16.445 1.910 -1.230 1.00 . A A . 11 PHE CB 1 1 7 1903 1 1 11 PHE CD1 C 17.081 3.609 0.551 1.00 . A A . 11 PHE CD1 1 1 7 1904 1 1 11 PHE CD2 C 17.646 4.068 -1.765 1.00 . A A . 11 PHE CD2 1 1 7 1905 1 1 11 PHE CE1 C 17.622 4.844 0.925 1.00 . A A . 11 PHE CE1 1 1 7 1906 1 1 11 PHE CE2 C 18.195 5.299 -1.383 1.00 . A A . 11 PHE CE2 1 1 7 1907 1 1 11 PHE CG C 17.089 3.217 -0.797 1.00 . A A . 11 PHE CG 1 1 7 1908 1 1 11 PHE CZ C 18.177 5.689 -0.040 1.00 . A A . 11 PHE CZ 1 1 7 1909 1 1 11 PHE H H 15.214 -0.190 -0.481 1.00 . A A . 11 PHE H 1 1 7 1910 1 1 11 PHE HA H 17.867 0.313 -1.464 1.00 . A A . 11 PHE HA 1 1 7 1911 1 1 11 PHE HB2 H 16.434 1.875 -2.309 1.00 . A A . 11 PHE HB2 1 1 7 1912 1 1 11 PHE HB3 H 15.430 1.884 -0.878 1.00 . A A . 11 PHE HB3 1 1 7 1913 1 1 11 PHE HD1 H 16.669 2.959 1.302 1.00 . A A . 11 PHE HD1 1 1 7 1914 1 1 11 PHE HD2 H 17.681 3.762 -2.799 1.00 . A A . 11 PHE HD2 1 1 7 1915 1 1 11 PHE HE1 H 17.615 5.144 1.964 1.00 . A A . 11 PHE HE1 1 1 7 1916 1 1 11 PHE HE2 H 18.624 5.953 -2.130 1.00 . A A . 11 PHE HE2 1 1 7 1917 1 1 11 PHE HZ H 18.595 6.642 0.251 1.00 . A A . 11 PHE HZ 1 1 7 1918 1 1 11 PHE N N 16.173 -0.392 -0.401 1.00 . A A . 11 PHE N 1 1 7 1919 1 1 11 PHE O O 19.174 1.034 0.545 1.00 . A A . 11 PHE O 1 1 7 1920 1 1 12 ALA C C 19.084 0.141 3.138 1.00 . A A . 12 ALA C 1 1 7 1921 1 1 12 ALA CA C 18.034 1.244 2.958 1.00 . A A . 12 ALA CA 1 1 7 1922 1 1 12 ALA CB C 17.050 1.217 4.128 1.00 . A A . 12 ALA CB 1 1 7 1923 1 1 12 ALA H H 16.325 0.895 1.694 1.00 . A A . 12 ALA H 1 1 7 1924 1 1 12 ALA HA H 18.526 2.206 2.917 1.00 . A A . 12 ALA HA 1 1 7 1925 1 1 12 ALA HB1 H 16.308 1.990 3.992 1.00 . A A . 12 ALA HB1 1 1 7 1926 1 1 12 ALA HB2 H 17.583 1.387 5.052 1.00 . A A . 12 ALA HB2 1 1 7 1927 1 1 12 ALA HB3 H 16.563 0.254 4.167 1.00 . A A . 12 ALA HB3 1 1 7 1928 1 1 12 ALA N N 17.304 1.013 1.687 1.00 . A A . 12 ALA N 1 1 7 1929 1 1 12 ALA O O 20.186 0.393 3.577 1.00 . A A . 12 ALA O 1 1 7 1930 1 1 13 ARG C C 20.965 -1.902 2.067 1.00 . A A . 13 ARG C 1 1 7 1931 1 1 13 ARG CA C 19.743 -2.189 2.945 1.00 . A A . 13 ARG CA 1 1 7 1932 1 1 13 ARG CB C 19.092 -3.509 2.524 1.00 . A A . 13 ARG CB 1 1 7 1933 1 1 13 ARG CD C 19.395 -5.992 2.449 1.00 . A A . 13 ARG CD 1 1 7 1934 1 1 13 ARG CG C 20.072 -4.658 2.772 1.00 . A A . 13 ARG CG 1 1 7 1935 1 1 13 ARG CZ C 18.924 -7.277 0.456 1.00 . A A . 13 ARG CZ 1 1 7 1936 1 1 13 ARG H H 17.858 -1.265 2.428 1.00 . A A . 13 ARG H 1 1 7 1937 1 1 13 ARG HA H 20.055 -2.256 3.976 1.00 . A A . 13 ARG HA 1 1 7 1938 1 1 13 ARG HB2 H 18.193 -3.667 3.103 1.00 . A A . 13 ARG HB2 1 1 7 1939 1 1 13 ARG HB3 H 18.842 -3.470 1.475 1.00 . A A . 13 ARG HB3 1 1 7 1940 1 1 13 ARG HD2 H 19.993 -6.802 2.843 1.00 . A A . 13 ARG HD2 1 1 7 1941 1 1 13 ARG HD3 H 18.414 -6.016 2.903 1.00 . A A . 13 ARG HD3 1 1 7 1942 1 1 13 ARG HE H 19.437 -5.363 0.376 1.00 . A A . 13 ARG HE 1 1 7 1943 1 1 13 ARG HG2 H 20.941 -4.531 2.144 1.00 . A A . 13 ARG HG2 1 1 7 1944 1 1 13 ARG HG3 H 20.375 -4.654 3.809 1.00 . A A . 13 ARG HG3 1 1 7 1945 1 1 13 ARG HH11 H 20.620 -8.176 0.962 1.00 . A A . 13 ARG HH11 1 1 7 1946 1 1 13 ARG HH12 H 19.472 -9.160 0.126 1.00 . A A . 13 ARG HH12 1 1 7 1947 1 1 13 ARG HH21 H 17.157 -6.605 -0.171 1.00 . A A . 13 ARG HH21 1 1 7 1948 1 1 13 ARG HH22 H 17.507 -8.273 -0.516 1.00 . A A . 13 ARG HH22 1 1 7 1949 1 1 13 ARG N N 18.753 -1.080 2.793 1.00 . A A . 13 ARG N 1 1 7 1950 1 1 13 ARG NE N 19.265 -6.138 0.969 1.00 . A A . 13 ARG NE 1 1 7 1951 1 1 13 ARG NH1 N 19.733 -8.282 0.519 1.00 . A A . 13 ARG NH1 1 1 7 1952 1 1 13 ARG NH2 N 17.778 -7.400 -0.121 1.00 . A A . 13 ARG NH2 1 1 7 1953 1 1 13 ARG O O 22.062 -1.707 2.557 1.00 . A A . 13 ARG O 1 1 7 1954 1 1 14 CGU C C 22.492 -0.194 0.187 1.00 . A A . 14 CGU C 1 1 7 1955 1 1 14 CGU CA C 21.928 -1.577 -0.126 1.00 . A A . 14 CGU CA 1 1 7 1956 1 1 14 CGU CB C 21.442 -1.634 -1.573 1.00 . A A . 14 CGU CB 1 1 7 1957 1 1 14 CGU CD1 C 19.809 -3.506 -1.556 1.00 . A A . 14 CGU CD1 1 1 7 1958 1 1 14 CGU CD2 C 21.388 -3.296 -3.469 1.00 . A A . 14 CGU CD2 1 1 7 1959 1 1 14 CGU CG C 21.222 -3.099 -1.951 1.00 . A A . 14 CGU CG 1 1 7 1960 1 1 14 CGU H H 19.901 -2.020 0.391 1.00 . A A . 14 CGU H 1 1 7 1961 1 1 14 CGU HA H 22.700 -2.319 0.023 1.00 . A A . 14 CGU HA 1 1 7 1962 1 1 14 CGU HB2 H 22.176 -1.196 -2.224 1.00 . A A . 14 CGU HB2 1 1 7 1963 1 1 14 CGU HB3 H 20.509 -1.093 -1.665 1.00 . A A . 14 CGU HB3 1 1 7 1964 1 1 14 CGU HG H 21.928 -3.711 -1.419 1.00 . A A . 14 CGU HG 1 1 7 1965 1 1 14 CGU N N 20.787 -1.863 0.773 1.00 . A A . 14 CGU N 1 1 7 1966 1 1 14 CGU O O 23.685 0.006 0.182 1.00 . A A . 14 CGU O 1 1 7 1967 1 1 14 CGU OE11 O 19.670 -4.325 -0.663 1.00 . A A . 14 CGU OE11 1 1 7 1968 1 1 14 CGU OE12 O 18.888 -3.000 -2.170 1.00 . A A . 14 CGU OE12 1 1 7 1969 1 1 14 CGU OE21 O 20.487 -3.865 -4.083 1.00 . A A . 14 CGU OE21 1 1 7 1970 1 1 14 CGU OE22 O 22.406 -2.881 -3.994 1.00 . A A . 14 CGU OE22 1 1 7 1971 1 1 15 LEU C C 22.913 2.071 2.117 1.00 . A A . 15 LEU C 1 1 7 1972 1 1 15 LEU CA C 22.145 2.121 0.797 1.00 . A A . 15 LEU CA 1 1 7 1973 1 1 15 LEU CB C 20.959 3.077 0.895 1.00 . A A . 15 LEU CB 1 1 7 1974 1 1 15 LEU CD1 C 20.938 4.722 -0.987 1.00 . A A . 15 LEU CD1 1 1 7 1975 1 1 15 LEU CD2 C 20.757 2.307 -1.534 1.00 . A A . 15 LEU CD2 1 1 7 1976 1 1 15 LEU CG C 20.396 3.386 -0.501 1.00 . A A . 15 LEU CG 1 1 7 1977 1 1 15 LEU H H 20.678 0.578 0.487 1.00 . A A . 15 LEU H 1 1 7 1978 1 1 15 LEU HA H 22.807 2.459 0.018 1.00 . A A . 15 LEU HA 1 1 7 1979 1 1 15 LEU HB2 H 20.182 2.626 1.497 1.00 . A A . 15 LEU HB2 1 1 7 1980 1 1 15 LEU HB3 H 21.275 3.997 1.359 1.00 . A A . 15 LEU HB3 1 1 7 1981 1 1 15 LEU HD11 H 20.546 4.926 -1.972 1.00 . A A . 15 LEU HD11 1 1 7 1982 1 1 15 LEU HD12 H 22.013 4.680 -1.026 1.00 . A A . 15 LEU HD12 1 1 7 1983 1 1 15 LEU HD13 H 20.628 5.500 -0.308 1.00 . A A . 15 LEU HD13 1 1 7 1984 1 1 15 LEU HD21 H 20.363 1.354 -1.219 1.00 . A A . 15 LEU HD21 1 1 7 1985 1 1 15 LEU HD22 H 21.828 2.239 -1.636 1.00 . A A . 15 LEU HD22 1 1 7 1986 1 1 15 LEU HD23 H 20.325 2.571 -2.488 1.00 . A A . 15 LEU HD23 1 1 7 1987 1 1 15 LEU HG H 19.336 3.451 -0.422 1.00 . A A . 15 LEU HG 1 1 7 1988 1 1 15 LEU N N 21.647 0.758 0.474 1.00 . A A . 15 LEU N 1 1 7 1989 1 1 15 LEU O O 23.988 2.630 2.235 1.00 . A A . 15 LEU O 1 1 7 1990 1 1 16 ALA C C 24.520 0.726 4.134 1.00 . A A . 16 ALA C 1 1 7 1991 1 1 16 ALA CA C 23.116 1.277 4.401 1.00 . A A . 16 ALA CA 1 1 7 1992 1 1 16 ALA CB C 22.361 0.335 5.344 1.00 . A A . 16 ALA CB 1 1 7 1993 1 1 16 ALA H H 21.527 0.920 2.982 1.00 . A A . 16 ALA H 1 1 7 1994 1 1 16 ALA HA H 23.196 2.257 4.852 1.00 . A A . 16 ALA HA 1 1 7 1995 1 1 16 ALA HB1 H 22.956 0.158 6.227 1.00 . A A . 16 ALA HB1 1 1 7 1996 1 1 16 ALA HB2 H 22.172 -0.602 4.842 1.00 . A A . 16 ALA HB2 1 1 7 1997 1 1 16 ALA HB3 H 21.423 0.788 5.628 1.00 . A A . 16 ALA HB3 1 1 7 1998 1 1 16 ALA N N 22.390 1.383 3.102 1.00 . A A . 16 ALA N 1 1 7 1999 1 1 16 ALA O O 25.494 1.194 4.687 1.00 . A A . 16 ALA O 1 1 7 2000 1 1 17 ASN C C 26.626 0.071 1.873 1.00 . A A . 17 ASN C 1 1 7 2001 1 1 17 ASN CA C 25.987 -0.801 2.955 1.00 . A A . 17 ASN CA 1 1 7 2002 1 1 17 ASN CB C 25.899 -2.259 2.470 1.00 . A A . 17 ASN CB 1 1 7 2003 1 1 17 ASN CG C 27.308 -2.865 2.393 1.00 . A A . 17 ASN CG 1 1 7 2004 1 1 17 ASN H H 23.832 -0.603 2.817 1.00 . A A . 17 ASN H 1 1 7 2005 1 1 17 ASN HA H 26.600 -0.759 3.846 1.00 . A A . 17 ASN HA 1 1 7 2006 1 1 17 ASN HB2 H 25.304 -2.839 3.163 1.00 . A A . 17 ASN HB2 1 1 7 2007 1 1 17 ASN HB3 H 25.445 -2.291 1.492 1.00 . A A . 17 ASN HB3 1 1 7 2008 1 1 17 ASN HD21 H 28.225 -1.114 2.135 1.00 . A A . 17 ASN HD21 1 1 7 2009 1 1 17 ASN HD22 H 29.242 -2.484 2.175 1.00 . A A . 17 ASN HD22 1 1 7 2010 1 1 17 ASN N N 24.633 -0.252 3.269 1.00 . A A . 17 ASN N 1 1 7 2011 1 1 17 ASN ND2 N 28.344 -2.091 2.219 1.00 . A A . 17 ASN ND2 1 1 7 2012 1 1 17 ASN O O 27.817 0.311 1.891 1.00 . A A . 17 ASN O 1 1 7 2013 1 1 17 ASN OD1 O 27.468 -4.063 2.488 1.00 . A A . 17 ASN OD1 1 1 7 2014 1 1 18 TYR C C 26.882 2.747 0.479 1.00 . A A . 18 TYR C 1 1 7 2015 1 1 18 TYR CA C 26.422 1.416 -0.135 1.00 . A A . 18 TYR CA 1 1 7 2016 1 1 18 TYR CB C 25.359 1.680 -1.210 1.00 . A A . 18 TYR CB 1 1 7 2017 1 1 18 TYR CD1 C 26.075 3.934 -2.091 1.00 . A A . 18 TYR CD1 1 1 7 2018 1 1 18 TYR CD2 C 26.369 1.988 -3.503 1.00 . A A . 18 TYR CD2 1 1 7 2019 1 1 18 TYR CE1 C 26.632 4.742 -3.089 1.00 . A A . 18 TYR CE1 1 1 7 2020 1 1 18 TYR CE2 C 26.922 2.799 -4.502 1.00 . A A . 18 TYR CE2 1 1 7 2021 1 1 18 TYR CG C 25.944 2.556 -2.297 1.00 . A A . 18 TYR CG 1 1 7 2022 1 1 18 TYR CZ C 27.054 4.175 -4.293 1.00 . A A . 18 TYR CZ 1 1 7 2023 1 1 18 TYR H H 24.886 0.341 0.936 1.00 . A A . 18 TYR H 1 1 7 2024 1 1 18 TYR HA H 27.270 0.920 -0.585 1.00 . A A . 18 TYR HA 1 1 7 2025 1 1 18 TYR HB2 H 25.036 0.740 -1.637 1.00 . A A . 18 TYR HB2 1 1 7 2026 1 1 18 TYR HB3 H 24.513 2.179 -0.764 1.00 . A A . 18 TYR HB3 1 1 7 2027 1 1 18 TYR HD1 H 25.745 4.374 -1.162 1.00 . A A . 18 TYR HD1 1 1 7 2028 1 1 18 TYR HD2 H 26.267 0.925 -3.667 1.00 . A A . 18 TYR HD2 1 1 7 2029 1 1 18 TYR HE1 H 26.732 5.805 -2.931 1.00 . A A . 18 TYR HE1 1 1 7 2030 1 1 18 TYR HE2 H 27.249 2.362 -5.434 1.00 . A A . 18 TYR HE2 1 1 7 2031 1 1 18 TYR HH H 28.549 4.778 -5.303 1.00 . A A . 18 TYR HH 1 1 7 2032 1 1 18 TYR N N 25.850 0.549 0.935 1.00 . A A . 18 TYR N 1 1 7 2033 1 1 18 TYR O O 27.935 3.249 0.154 1.00 . A A . 18 TYR O 1 1 7 2034 1 1 18 TYR OH O 27.608 4.968 -5.272 1.00 . A A . 18 TYR OH 1 1 7 2035 1 1 19 NH2 HN1 H 25.267 2.950 1.640 1.00 . A A . 19 NH2 HN1 1 1 7 2036 1 1 19 NH2 HN2 H 26.435 4.199 1.756 1.00 . A A . 19 NH2 HN2 1 1 7 2037 1 1 19 NH2 N N 26.134 3.348 1.363 1.00 . A A . 19 NH2 N 1 1 8 2038 1 1 1 GLY C C 3.699 2.468 1.329 1.00 . A A . 1 GLY C 1 1 8 2039 1 1 1 GLY CA C 2.937 3.795 1.239 1.00 . A A . 1 GLY CA 1 1 8 2040 1 1 1 GLY H1 H 1.272 3.480 0.013 1.00 . A A . 1 GLY H1 1 1 8 2041 1 1 1 GLY H2 H 2.769 3.353 -0.796 1.00 . A A . 1 GLY H2 1 1 8 2042 1 1 1 GLY H3 H 2.158 4.881 -0.363 1.00 . A A . 1 GLY H3 1 1 8 2043 1 1 1 GLY HA2 H 3.636 4.615 1.326 1.00 . A A . 1 GLY HA2 1 1 8 2044 1 1 1 GLY HA3 H 2.217 3.850 2.042 1.00 . A A . 1 GLY HA3 1 1 8 2045 1 1 1 GLY N N 2.228 3.882 -0.073 1.00 . A A . 1 GLY N 1 1 8 2046 1 1 1 GLY O O 4.912 2.443 1.394 1.00 . A A . 1 GLY O 1 1 8 2047 1 1 2 GLU C C 4.817 -0.082 0.444 1.00 . A A . 2 GLU C 1 1 8 2048 1 1 2 GLU CA C 3.653 0.029 1.442 1.00 . A A . 2 GLU CA 1 1 8 2049 1 1 2 GLU CB C 2.614 -1.056 1.142 1.00 . A A . 2 GLU CB 1 1 8 2050 1 1 2 GLU CD C 2.200 -3.519 1.026 1.00 . A A . 2 GLU CD 1 1 8 2051 1 1 2 GLU CG C 3.213 -2.440 1.413 1.00 . A A . 2 GLU CG 1 1 8 2052 1 1 2 GLU H H 2.013 1.419 1.297 1.00 . A A . 2 GLU H 1 1 8 2053 1 1 2 GLU HA H 4.030 -0.109 2.445 1.00 . A A . 2 GLU HA 1 1 8 2054 1 1 2 GLU HB2 H 1.749 -0.910 1.773 1.00 . A A . 2 GLU HB2 1 1 8 2055 1 1 2 GLU HB3 H 2.316 -0.993 0.106 1.00 . A A . 2 GLU HB3 1 1 8 2056 1 1 2 GLU HG2 H 4.113 -2.566 0.828 1.00 . A A . 2 GLU HG2 1 1 8 2057 1 1 2 GLU HG3 H 3.449 -2.533 2.463 1.00 . A A . 2 GLU HG3 1 1 8 2058 1 1 2 GLU N N 2.991 1.369 1.342 1.00 . A A . 2 GLU N 1 1 8 2059 1 1 2 GLU O O 5.946 -0.344 0.822 1.00 . A A . 2 GLU O 1 1 8 2060 1 1 2 GLU OE1 O 1.991 -3.704 -0.162 1.00 . A A . 2 GLU OE1 1 1 8 2061 1 1 2 GLU OE2 O 1.651 -4.138 1.922 1.00 . A A . 2 GLU OE2 1 1 8 2062 1 1 3 CGU C C 6.777 0.976 -1.479 1.00 . A A . 3 CGU C 1 1 8 2063 1 1 3 CGU CA C 5.649 0.003 -1.837 1.00 . A A . 3 CGU CA 1 1 8 2064 1 1 3 CGU CB C 5.105 0.338 -3.246 1.00 . A A . 3 CGU CB 1 1 8 2065 1 1 3 CGU CD1 C 6.836 -1.179 -4.299 1.00 . A A . 3 CGU CD1 1 1 8 2066 1 1 3 CGU CD2 C 5.791 0.595 -5.680 1.00 . A A . 3 CGU CD2 1 1 8 2067 1 1 3 CGU CG C 6.257 0.244 -4.261 1.00 . A A . 3 CGU CG 1 1 8 2068 1 1 3 CGU H H 3.642 0.314 -1.110 1.00 . A A . 3 CGU H 1 1 8 2069 1 1 3 CGU HA H 6.048 -1.006 -1.821 1.00 . A A . 3 CGU HA 1 1 8 2070 1 1 3 CGU HB2 H 4.717 1.347 -3.246 1.00 . A A . 3 CGU HB2 1 1 8 2071 1 1 3 CGU HB3 H 4.309 -0.350 -3.526 1.00 . A A . 3 CGU HB3 1 1 8 2072 1 1 3 CGU HG H 7.030 0.935 -3.970 1.00 . A A . 3 CGU HG 1 1 8 2073 1 1 3 CGU N N 4.555 0.109 -0.825 1.00 . A A . 3 CGU N 1 1 8 2074 1 1 3 CGU O O 7.943 0.624 -1.515 1.00 . A A . 3 CGU O 1 1 8 2075 1 1 3 CGU OE11 O 6.181 -2.091 -3.826 1.00 . A A . 3 CGU OE11 1 1 8 2076 1 1 3 CGU OE12 O 7.927 -1.330 -4.827 1.00 . A A . 3 CGU OE12 1 1 8 2077 1 1 3 CGU OE21 O 6.566 0.356 -6.602 1.00 . A A . 3 CGU OE21 1 1 8 2078 1 1 3 CGU OE22 O 4.689 1.095 -5.829 1.00 . A A . 3 CGU OE22 1 1 8 2079 1 1 4 CGU C C 8.313 2.606 0.400 1.00 . A A . 4 CGU C 1 1 8 2080 1 1 4 CGU CA C 7.499 3.174 -0.764 1.00 . A A . 4 CGU CA 1 1 8 2081 1 1 4 CGU CB C 6.842 4.494 -0.357 1.00 . A A . 4 CGU CB 1 1 8 2082 1 1 4 CGU CD1 C 6.114 6.591 -1.556 1.00 . A A . 4 CGU CD1 1 1 8 2083 1 1 4 CGU CD2 C 4.564 4.637 -1.418 1.00 . A A . 4 CGU CD2 1 1 8 2084 1 1 4 CGU CG C 6.036 5.057 -1.546 1.00 . A A . 4 CGU CG 1 1 8 2085 1 1 4 CGU H H 5.503 2.457 -1.101 1.00 . A A . 4 CGU H 1 1 8 2086 1 1 4 CGU HA H 8.149 3.340 -1.611 1.00 . A A . 4 CGU HA 1 1 8 2087 1 1 4 CGU HB2 H 7.604 5.201 -0.071 1.00 . A A . 4 CGU HB2 1 1 8 2088 1 1 4 CGU HB3 H 6.178 4.321 0.480 1.00 . A A . 4 CGU HB3 1 1 8 2089 1 1 4 CGU HG H 6.439 4.673 -2.474 1.00 . A A . 4 CGU HG 1 1 8 2090 1 1 4 CGU N N 6.446 2.192 -1.129 1.00 . A A . 4 CGU N 1 1 8 2091 1 1 4 CGU O O 9.531 2.560 0.356 1.00 . A A . 4 CGU O 1 1 8 2092 1 1 4 CGU OE11 O 6.071 7.158 -2.636 1.00 . A A . 4 CGU OE11 1 1 8 2093 1 1 4 CGU OE12 O 6.206 7.174 -0.485 1.00 . A A . 4 CGU OE12 1 1 8 2094 1 1 4 CGU OE21 O 3.732 5.503 -1.190 1.00 . A A . 4 CGU OE21 1 1 8 2095 1 1 4 CGU OE22 O 4.288 3.451 -1.541 1.00 . A A . 4 CGU OE22 1 1 8 2096 1 1 5 LEU C C 9.167 0.326 2.069 1.00 . A A . 5 LEU C 1 1 8 2097 1 1 5 LEU CA C 8.384 1.542 2.576 1.00 . A A . 5 LEU CA 1 1 8 2098 1 1 5 LEU CB C 7.383 1.103 3.650 1.00 . A A . 5 LEU CB 1 1 8 2099 1 1 5 LEU CD1 C 5.909 3.101 4.022 1.00 . A A . 5 LEU CD1 1 1 8 2100 1 1 5 LEU CD2 C 6.695 1.751 5.967 1.00 . A A . 5 LEU CD2 1 1 8 2101 1 1 5 LEU CG C 7.073 2.281 4.582 1.00 . A A . 5 LEU CG 1 1 8 2102 1 1 5 LEU H H 6.668 2.166 1.436 1.00 . A A . 5 LEU H 1 1 8 2103 1 1 5 LEU HA H 9.070 2.267 2.988 1.00 . A A . 5 LEU HA 1 1 8 2104 1 1 5 LEU HB2 H 6.471 0.763 3.175 1.00 . A A . 5 LEU HB2 1 1 8 2105 1 1 5 LEU HB3 H 7.809 0.295 4.225 1.00 . A A . 5 LEU HB3 1 1 8 2106 1 1 5 LEU HD11 H 6.219 3.597 3.115 1.00 . A A . 5 LEU HD11 1 1 8 2107 1 1 5 LEU HD12 H 5.609 3.840 4.752 1.00 . A A . 5 LEU HD12 1 1 8 2108 1 1 5 LEU HD13 H 5.077 2.447 3.811 1.00 . A A . 5 LEU HD13 1 1 8 2109 1 1 5 LEU HD21 H 7.580 1.392 6.470 1.00 . A A . 5 LEU HD21 1 1 8 2110 1 1 5 LEU HD22 H 5.988 0.941 5.862 1.00 . A A . 5 LEU HD22 1 1 8 2111 1 1 5 LEU HD23 H 6.249 2.545 6.546 1.00 . A A . 5 LEU HD23 1 1 8 2112 1 1 5 LEU HG H 7.945 2.912 4.663 1.00 . A A . 5 LEU HG 1 1 8 2113 1 1 5 LEU N N 7.651 2.141 1.429 1.00 . A A . 5 LEU N 1 1 8 2114 1 1 5 LEU O O 10.337 0.156 2.366 1.00 . A A . 5 LEU O 1 1 8 2115 1 1 6 ALA C C 10.466 -1.254 -0.033 1.00 . A A . 6 ALA C 1 1 8 2116 1 1 6 ALA CA C 9.218 -1.709 0.729 1.00 . A A . 6 ALA CA 1 1 8 2117 1 1 6 ALA CB C 8.268 -2.447 -0.221 1.00 . A A . 6 ALA CB 1 1 8 2118 1 1 6 ALA H H 7.585 -0.334 1.053 1.00 . A A . 6 ALA H 1 1 8 2119 1 1 6 ALA HA H 9.509 -2.366 1.536 1.00 . A A . 6 ALA HA 1 1 8 2120 1 1 6 ALA HB1 H 7.353 -2.690 0.300 1.00 . A A . 6 ALA HB1 1 1 8 2121 1 1 6 ALA HB2 H 8.735 -3.358 -0.567 1.00 . A A . 6 ALA HB2 1 1 8 2122 1 1 6 ALA HB3 H 8.041 -1.815 -1.067 1.00 . A A . 6 ALA HB3 1 1 8 2123 1 1 6 ALA N N 8.526 -0.508 1.286 1.00 . A A . 6 ALA N 1 1 8 2124 1 1 6 ALA O O 11.568 -1.704 0.232 1.00 . A A . 6 ALA O 1 1 8 2125 1 1 7 CGU C C 12.493 0.725 -0.728 1.00 . A A . 7 CGU C 1 1 8 2126 1 1 7 CGU CA C 11.485 0.150 -1.723 1.00 . A A . 7 CGU CA 1 1 8 2127 1 1 7 CGU CB C 11.034 1.246 -2.688 1.00 . A A . 7 CGU CB 1 1 8 2128 1 1 7 CGU CD1 C 9.275 1.745 -4.431 1.00 . A A . 7 CGU CD1 1 1 8 2129 1 1 7 CGU CD2 C 10.961 -0.048 -4.865 1.00 . A A . 7 CGU CD2 1 1 8 2130 1 1 7 CGU CG C 10.117 0.638 -3.772 1.00 . A A . 7 CGU CG 1 1 8 2131 1 1 7 CGU H H 9.415 0.016 -1.152 1.00 . A A . 7 CGU H 1 1 8 2132 1 1 7 CGU HA H 11.937 -0.664 -2.273 1.00 . A A . 7 CGU HA 1 1 8 2133 1 1 7 CGU HB2 H 11.900 1.680 -3.157 1.00 . A A . 7 CGU HB2 1 1 8 2134 1 1 7 CGU HB3 H 10.502 2.015 -2.135 1.00 . A A . 7 CGU HB3 1 1 8 2135 1 1 7 CGU HG H 9.458 -0.098 -3.326 1.00 . A A . 7 CGU HG 1 1 8 2136 1 1 7 CGU N N 10.308 -0.349 -0.964 1.00 . A A . 7 CGU N 1 1 8 2137 1 1 7 CGU O O 13.672 0.427 -0.772 1.00 . A A . 7 CGU O 1 1 8 2138 1 1 7 CGU OE11 O 9.063 2.767 -3.802 1.00 . A A . 7 CGU OE11 1 1 8 2139 1 1 7 CGU OE12 O 8.844 1.546 -5.560 1.00 . A A . 7 CGU OE12 1 1 8 2140 1 1 7 CGU OE21 O 10.365 -0.594 -5.788 1.00 . A A . 7 CGU OE21 1 1 8 2141 1 1 7 CGU OE22 O 12.175 -0.020 -4.768 1.00 . A A . 7 CGU OE22 1 1 8 2142 1 1 8 LYS C C 13.627 1.002 1.964 1.00 . A A . 8 LYS C 1 1 8 2143 1 1 8 LYS CA C 12.924 2.132 1.208 1.00 . A A . 8 LYS CA 1 1 8 2144 1 1 8 LYS CB C 12.088 2.966 2.179 1.00 . A A . 8 LYS CB 1 1 8 2145 1 1 8 LYS CD C 12.495 5.247 3.139 1.00 . A A . 8 LYS CD 1 1 8 2146 1 1 8 LYS CE C 13.391 6.156 2.295 1.00 . A A . 8 LYS CE 1 1 8 2147 1 1 8 LYS CG C 13.011 3.803 3.072 1.00 . A A . 8 LYS CG 1 1 8 2148 1 1 8 LYS H H 11.061 1.745 0.201 1.00 . A A . 8 LYS H 1 1 8 2149 1 1 8 LYS HA H 13.655 2.763 0.731 1.00 . A A . 8 LYS HA 1 1 8 2150 1 1 8 LYS HB2 H 11.438 3.617 1.614 1.00 . A A . 8 LYS HB2 1 1 8 2151 1 1 8 LYS HB3 H 11.492 2.308 2.794 1.00 . A A . 8 LYS HB3 1 1 8 2152 1 1 8 LYS HD2 H 11.482 5.288 2.762 1.00 . A A . 8 LYS HD2 1 1 8 2153 1 1 8 LYS HD3 H 12.509 5.585 4.165 1.00 . A A . 8 LYS HD3 1 1 8 2154 1 1 8 LYS HE2 H 13.505 5.734 1.305 1.00 . A A . 8 LYS HE2 1 1 8 2155 1 1 8 LYS HE3 H 12.942 7.137 2.217 1.00 . A A . 8 LYS HE3 1 1 8 2156 1 1 8 LYS HG2 H 13.028 3.378 4.067 1.00 . A A . 8 LYS HG2 1 1 8 2157 1 1 8 LYS HG3 H 14.010 3.794 2.661 1.00 . A A . 8 LYS HG3 1 1 8 2158 1 1 8 LYS HZ1 H 15.413 6.669 2.289 1.00 . A A . 8 LYS HZ1 1 1 8 2159 1 1 8 LYS HZ2 H 15.044 5.318 3.250 1.00 . A A . 8 LYS HZ2 1 1 8 2160 1 1 8 LYS HZ3 H 14.654 6.877 3.789 1.00 . A A . 8 LYS HZ3 1 1 8 2161 1 1 8 LYS N N 12.021 1.536 0.183 1.00 . A A . 8 LYS N 1 1 8 2162 1 1 8 LYS NZ N 14.727 6.263 2.955 1.00 . A A . 8 LYS NZ 1 1 8 2163 1 1 8 LYS O O 14.827 1.023 2.166 1.00 . A A . 8 LYS O 1 1 8 2164 1 1 9 ALA C C 14.598 -1.772 2.284 1.00 . A A . 9 ALA C 1 1 8 2165 1 1 9 ALA CA C 13.469 -1.139 3.110 1.00 . A A . 9 ALA CA 1 1 8 2166 1 1 9 ALA CB C 12.374 -2.177 3.370 1.00 . A A . 9 ALA CB 1 1 8 2167 1 1 9 ALA H H 11.909 0.028 2.186 1.00 . A A . 9 ALA H 1 1 8 2168 1 1 9 ALA HA H 13.868 -0.794 4.052 1.00 . A A . 9 ALA HA 1 1 8 2169 1 1 9 ALA HB1 H 12.310 -2.853 2.530 1.00 . A A . 9 ALA HB1 1 1 8 2170 1 1 9 ALA HB2 H 11.426 -1.674 3.499 1.00 . A A . 9 ALA HB2 1 1 8 2171 1 1 9 ALA HB3 H 12.610 -2.735 4.265 1.00 . A A . 9 ALA HB3 1 1 8 2172 1 1 9 ALA N N 12.877 0.014 2.371 1.00 . A A . 9 ALA N 1 1 8 2173 1 1 9 ALA O O 15.678 -2.021 2.788 1.00 . A A . 9 ALA O 1 1 8 2174 1 1 10 CGU C C 16.527 -1.602 -0.088 1.00 . A A . 10 CGU C 1 1 8 2175 1 1 10 CGU CA C 15.437 -2.652 0.200 1.00 . A A . 10 CGU CA 1 1 8 2176 1 1 10 CGU CB C 14.841 -3.196 -1.113 1.00 . A A . 10 CGU CB 1 1 8 2177 1 1 10 CGU CD1 C 15.517 -3.578 -3.534 1.00 . A A . 10 CGU CD1 1 1 8 2178 1 1 10 CGU CD2 C 16.685 -4.814 -1.721 1.00 . A A . 10 CGU CD2 1 1 8 2179 1 1 10 CGU CG C 15.992 -3.485 -2.078 1.00 . A A . 10 CGU CG 1 1 8 2180 1 1 10 CGU H H 13.500 -1.834 0.619 1.00 . A A . 10 CGU H 1 1 8 2181 1 1 10 CGU HA H 15.877 -3.469 0.755 1.00 . A A . 10 CGU HA 1 1 8 2182 1 1 10 CGU HB2 H 14.178 -2.466 -1.549 1.00 . A A . 10 CGU HB2 1 1 8 2183 1 1 10 CGU HB3 H 14.295 -4.107 -0.914 1.00 . A A . 10 CGU HB3 1 1 8 2184 1 1 10 CGU HG H 16.694 -2.680 -1.991 1.00 . A A . 10 CGU HG 1 1 8 2185 1 1 10 CGU N N 14.368 -2.037 1.021 1.00 . A A . 10 CGU N 1 1 8 2186 1 1 10 CGU O O 17.706 -1.881 0.029 1.00 . A A . 10 CGU O 1 1 8 2187 1 1 10 CGU OE11 O 16.382 -3.624 -4.406 1.00 . A A . 10 CGU OE11 1 1 8 2188 1 1 10 CGU OE12 O 14.319 -3.615 -3.761 1.00 . A A . 10 CGU OE12 1 1 8 2189 1 1 10 CGU OE21 O 17.389 -5.341 -2.578 1.00 . A A . 10 CGU OE21 1 1 8 2190 1 1 10 CGU OE22 O 16.517 -5.283 -0.607 1.00 . A A . 10 CGU OE22 1 1 8 2191 1 1 11 PHE C C 17.946 0.917 0.586 1.00 . A A . 11 PHE C 1 1 8 2192 1 1 11 PHE CA C 17.183 0.657 -0.710 1.00 . A A . 11 PHE CA 1 1 8 2193 1 1 11 PHE CB C 16.481 1.921 -1.246 1.00 . A A . 11 PHE CB 1 1 8 2194 1 1 11 PHE CD1 C 17.678 4.139 -1.399 1.00 . A A . 11 PHE CD1 1 1 8 2195 1 1 11 PHE CD2 C 16.804 3.446 0.749 1.00 . A A . 11 PHE CD2 1 1 8 2196 1 1 11 PHE CE1 C 18.131 5.335 -0.825 1.00 . A A . 11 PHE CE1 1 1 8 2197 1 1 11 PHE CE2 C 17.265 4.634 1.324 1.00 . A A . 11 PHE CE2 1 1 8 2198 1 1 11 PHE CG C 17.013 3.193 -0.611 1.00 . A A . 11 PHE CG 1 1 8 2199 1 1 11 PHE CZ C 17.927 5.580 0.537 1.00 . A A . 11 PHE CZ 1 1 8 2200 1 1 11 PHE H H 15.195 -0.170 -0.508 1.00 . A A . 11 PHE H 1 1 8 2201 1 1 11 PHE HA H 17.880 0.302 -1.451 1.00 . A A . 11 PHE HA 1 1 8 2202 1 1 11 PHE HB2 H 16.636 1.977 -2.313 1.00 . A A . 11 PHE HB2 1 1 8 2203 1 1 11 PHE HB3 H 15.426 1.844 -1.056 1.00 . A A . 11 PHE HB3 1 1 8 2204 1 1 11 PHE HD1 H 17.855 3.941 -2.450 1.00 . A A . 11 PHE HD1 1 1 8 2205 1 1 11 PHE HD2 H 16.300 2.716 1.356 1.00 . A A . 11 PHE HD2 1 1 8 2206 1 1 11 PHE HE1 H 18.642 6.067 -1.434 1.00 . A A . 11 PHE HE1 1 1 8 2207 1 1 11 PHE HE2 H 17.110 4.820 2.377 1.00 . A A . 11 PHE HE2 1 1 8 2208 1 1 11 PHE HZ H 18.278 6.502 0.978 1.00 . A A . 11 PHE HZ 1 1 8 2209 1 1 11 PHE N N 16.152 -0.394 -0.440 1.00 . A A . 11 PHE N 1 1 8 2210 1 1 11 PHE O O 19.150 1.077 0.586 1.00 . A A . 11 PHE O 1 1 8 2211 1 1 12 ALA C C 18.996 0.046 3.186 1.00 . A A . 12 ALA C 1 1 8 2212 1 1 12 ALA CA C 17.951 1.141 2.993 1.00 . A A . 12 ALA CA 1 1 8 2213 1 1 12 ALA CB C 16.931 1.088 4.132 1.00 . A A . 12 ALA CB 1 1 8 2214 1 1 12 ALA H H 16.287 0.762 1.679 1.00 . A A . 12 ALA H 1 1 8 2215 1 1 12 ALA HA H 18.437 2.105 2.985 1.00 . A A . 12 ALA HA 1 1 8 2216 1 1 12 ALA HB1 H 17.449 1.086 5.080 1.00 . A A . 12 ALA HB1 1 1 8 2217 1 1 12 ALA HB2 H 16.339 0.188 4.045 1.00 . A A . 12 ALA HB2 1 1 8 2218 1 1 12 ALA HB3 H 16.284 1.950 4.077 1.00 . A A . 12 ALA HB3 1 1 8 2219 1 1 12 ALA N N 17.260 0.921 1.698 1.00 . A A . 12 ALA N 1 1 8 2220 1 1 12 ALA O O 20.030 0.268 3.773 1.00 . A A . 12 ALA O 1 1 8 2221 1 1 13 ARG C C 20.944 -1.962 1.945 1.00 . A A . 13 ARG C 1 1 8 2222 1 1 13 ARG CA C 19.733 -2.232 2.846 1.00 . A A . 13 ARG CA 1 1 8 2223 1 1 13 ARG CB C 19.081 -3.564 2.460 1.00 . A A . 13 ARG CB 1 1 8 2224 1 1 13 ARG CD C 19.429 -6.042 2.326 1.00 . A A . 13 ARG CD 1 1 8 2225 1 1 13 ARG CG C 20.075 -4.705 2.697 1.00 . A A . 13 ARG CG 1 1 8 2226 1 1 13 ARG CZ C 18.932 -7.246 0.288 1.00 . A A . 13 ARG CZ 1 1 8 2227 1 1 13 ARG H H 17.899 -1.295 2.203 1.00 . A A . 13 ARG H 1 1 8 2228 1 1 13 ARG HA H 20.059 -2.277 3.874 1.00 . A A . 13 ARG HA 1 1 8 2229 1 1 13 ARG HB2 H 18.199 -3.719 3.067 1.00 . A A . 13 ARG HB2 1 1 8 2230 1 1 13 ARG HB3 H 18.800 -3.541 1.419 1.00 . A A . 13 ARG HB3 1 1 8 2231 1 1 13 ARG HD2 H 20.054 -6.852 2.675 1.00 . A A . 13 ARG HD2 1 1 8 2232 1 1 13 ARG HD3 H 18.456 -6.114 2.794 1.00 . A A . 13 ARG HD3 1 1 8 2233 1 1 13 ARG HE H 19.433 -5.327 0.281 1.00 . A A . 13 ARG HE 1 1 8 2234 1 1 13 ARG HG2 H 20.953 -4.548 2.088 1.00 . A A . 13 ARG HG2 1 1 8 2235 1 1 13 ARG HG3 H 20.360 -4.724 3.739 1.00 . A A . 13 ARG HG3 1 1 8 2236 1 1 13 ARG HH11 H 17.175 -6.539 -0.330 1.00 . A A . 13 ARG HH11 1 1 8 2237 1 1 13 ARG HH12 H 17.518 -8.194 -0.730 1.00 . A A . 13 ARG HH12 1 1 8 2238 1 1 13 ARG HH21 H 20.614 -8.185 0.776 1.00 . A A . 13 ARG HH21 1 1 8 2239 1 1 13 ARG HH22 H 19.461 -9.123 -0.106 1.00 . A A . 13 ARG HH22 1 1 8 2240 1 1 13 ARG N N 18.740 -1.134 2.686 1.00 . A A . 13 ARG N 1 1 8 2241 1 1 13 ARG NE N 19.279 -6.128 0.843 1.00 . A A . 13 ARG NE 1 1 8 2242 1 1 13 ARG NH1 N 17.791 -7.337 -0.302 1.00 . A A . 13 ARG NH1 1 1 8 2243 1 1 13 ARG NH2 N 19.729 -8.262 0.321 1.00 . A A . 13 ARG NH2 1 1 8 2244 1 1 13 ARG O O 22.046 -1.771 2.420 1.00 . A A . 13 ARG O 1 1 8 2245 1 1 14 CGU C C 22.539 -0.342 -0.007 1.00 . A A . 14 CGU C 1 1 8 2246 1 1 14 CGU CA C 21.884 -1.701 -0.281 1.00 . A A . 14 CGU CA 1 1 8 2247 1 1 14 CGU CB C 21.355 -1.742 -1.718 1.00 . A A . 14 CGU CB 1 1 8 2248 1 1 14 CGU CD1 C 19.618 -3.523 -1.716 1.00 . A A . 14 CGU CD1 1 1 8 2249 1 1 14 CGU CD2 C 21.213 -3.408 -3.621 1.00 . A A . 14 CGU CD2 1 1 8 2250 1 1 14 CGU CG C 21.054 -3.196 -2.100 1.00 . A A . 14 CGU CG 1 1 8 2251 1 1 14 CGU H H 19.857 -2.112 0.288 1.00 . A A . 14 CGU H 1 1 8 2252 1 1 14 CGU HA H 22.624 -2.477 -0.152 1.00 . A A . 14 CGU HA 1 1 8 2253 1 1 14 CGU HB2 H 22.092 -1.335 -2.387 1.00 . A A . 14 CGU HB2 1 1 8 2254 1 1 14 CGU HB3 H 20.447 -1.157 -1.784 1.00 . A A . 14 CGU HB3 1 1 8 2255 1 1 14 CGU HG H 21.722 -3.850 -1.566 1.00 . A A . 14 CGU HG 1 1 8 2256 1 1 14 CGU N N 20.750 -1.948 0.651 1.00 . A A . 14 CGU N 1 1 8 2257 1 1 14 CGU O O 23.744 -0.208 -0.090 1.00 . A A . 14 CGU O 1 1 8 2258 1 1 14 CGU OE11 O 18.731 -3.044 -2.401 1.00 . A A . 14 CGU OE11 1 1 8 2259 1 1 14 CGU OE12 O 19.427 -4.254 -0.761 1.00 . A A . 14 CGU OE12 1 1 8 2260 1 1 14 CGU OE21 O 22.234 -3.006 -4.151 1.00 . A A . 14 CGU OE21 1 1 8 2261 1 1 14 CGU OE22 O 20.305 -3.977 -4.230 1.00 . A A . 14 CGU OE22 1 1 8 2262 1 1 15 LEU C C 22.905 2.105 1.994 1.00 . A A . 15 LEU C 1 1 8 2263 1 1 15 LEU CA C 22.391 2.003 0.549 1.00 . A A . 15 LEU CA 1 1 8 2264 1 1 15 LEU CB C 21.365 3.106 0.236 1.00 . A A . 15 LEU CB 1 1 8 2265 1 1 15 LEU CD1 C 20.276 2.265 -1.863 1.00 . A A . 15 LEU CD1 1 1 8 2266 1 1 15 LEU CD2 C 20.779 4.693 -1.605 1.00 . A A . 15 LEU CD2 1 1 8 2267 1 1 15 LEU CG C 21.262 3.281 -1.287 1.00 . A A . 15 LEU CG 1 1 8 2268 1 1 15 LEU H H 20.797 0.566 0.349 1.00 . A A . 15 LEU H 1 1 8 2269 1 1 15 LEU HA H 23.235 2.115 -0.111 1.00 . A A . 15 LEU HA 1 1 8 2270 1 1 15 LEU HB2 H 20.397 2.828 0.633 1.00 . A A . 15 LEU HB2 1 1 8 2271 1 1 15 LEU HB3 H 21.681 4.036 0.682 1.00 . A A . 15 LEU HB3 1 1 8 2272 1 1 15 LEU HD11 H 19.349 2.315 -1.317 1.00 . A A . 15 LEU HD11 1 1 8 2273 1 1 15 LEU HD12 H 20.690 1.272 -1.779 1.00 . A A . 15 LEU HD12 1 1 8 2274 1 1 15 LEU HD13 H 20.094 2.491 -2.903 1.00 . A A . 15 LEU HD13 1 1 8 2275 1 1 15 LEU HD21 H 19.960 4.643 -2.306 1.00 . A A . 15 LEU HD21 1 1 8 2276 1 1 15 LEU HD22 H 21.588 5.260 -2.039 1.00 . A A . 15 LEU HD22 1 1 8 2277 1 1 15 LEU HD23 H 20.450 5.173 -0.696 1.00 . A A . 15 LEU HD23 1 1 8 2278 1 1 15 LEU HG H 22.229 3.123 -1.737 1.00 . A A . 15 LEU HG 1 1 8 2279 1 1 15 LEU N N 21.773 0.672 0.300 1.00 . A A . 15 LEU N 1 1 8 2280 1 1 15 LEU O O 23.729 2.949 2.300 1.00 . A A . 15 LEU O 1 1 8 2281 1 1 16 ALA C C 24.479 0.951 4.258 1.00 . A A . 16 ALA C 1 1 8 2282 1 1 16 ALA CA C 22.989 1.296 4.282 1.00 . A A . 16 ALA CA 1 1 8 2283 1 1 16 ALA CB C 22.245 0.293 5.168 1.00 . A A . 16 ALA CB 1 1 8 2284 1 1 16 ALA H H 21.828 0.544 2.618 1.00 . A A . 16 ALA H 1 1 8 2285 1 1 16 ALA HA H 22.859 2.294 4.674 1.00 . A A . 16 ALA HA 1 1 8 2286 1 1 16 ALA HB1 H 22.010 -0.591 4.596 1.00 . A A . 16 ALA HB1 1 1 8 2287 1 1 16 ALA HB2 H 21.331 0.742 5.529 1.00 . A A . 16 ALA HB2 1 1 8 2288 1 1 16 ALA HB3 H 22.867 0.023 6.009 1.00 . A A . 16 ALA HB3 1 1 8 2289 1 1 16 ALA N N 22.468 1.238 2.879 1.00 . A A . 16 ALA N 1 1 8 2290 1 1 16 ALA O O 25.296 1.649 4.825 1.00 . A A . 16 ALA O 1 1 8 2291 1 1 17 ASN C C 26.998 0.573 2.644 1.00 . A A . 17 ASN C 1 1 8 2292 1 1 17 ASN CA C 26.287 -0.478 3.501 1.00 . A A . 17 ASN CA 1 1 8 2293 1 1 17 ASN CB C 26.432 -1.864 2.860 1.00 . A A . 17 ASN CB 1 1 8 2294 1 1 17 ASN CG C 25.681 -1.902 1.530 1.00 . A A . 17 ASN CG 1 1 8 2295 1 1 17 ASN H H 24.169 -0.652 3.117 1.00 . A A . 17 ASN H 1 1 8 2296 1 1 17 ASN HA H 26.718 -0.486 4.493 1.00 . A A . 17 ASN HA 1 1 8 2297 1 1 17 ASN HB2 H 27.478 -2.074 2.688 1.00 . A A . 17 ASN HB2 1 1 8 2298 1 1 17 ASN HB3 H 26.021 -2.611 3.523 1.00 . A A . 17 ASN HB3 1 1 8 2299 1 1 17 ASN HD21 H 27.083 -0.903 0.549 1.00 . A A . 17 ASN HD21 1 1 8 2300 1 1 17 ASN HD22 H 25.722 -1.358 -0.373 1.00 . A A . 17 ASN HD22 1 1 8 2301 1 1 17 ASN N N 24.843 -0.110 3.584 1.00 . A A . 17 ASN N 1 1 8 2302 1 1 17 ASN ND2 N 26.207 -1.343 0.483 1.00 . A A . 17 ASN ND2 1 1 8 2303 1 1 17 ASN O O 28.174 0.831 2.798 1.00 . A A . 17 ASN O 1 1 8 2304 1 1 17 ASN OD1 O 24.603 -2.447 1.442 1.00 . A A . 17 ASN OD1 1 1 8 2305 1 1 18 TYR C C 26.992 3.546 1.637 1.00 . A A . 18 TYR C 1 1 8 2306 1 1 18 TYR CA C 26.866 2.224 0.860 1.00 . A A . 18 TYR CA 1 1 8 2307 1 1 18 TYR CB C 25.956 2.428 -0.355 1.00 . A A . 18 TYR CB 1 1 8 2308 1 1 18 TYR CD1 C 27.735 2.984 -2.059 1.00 . A A . 18 TYR CD1 1 1 8 2309 1 1 18 TYR CD2 C 26.076 4.665 -1.517 1.00 . A A . 18 TYR CD2 1 1 8 2310 1 1 18 TYR CE1 C 28.333 3.870 -2.964 1.00 . A A . 18 TYR CE1 1 1 8 2311 1 1 18 TYR CE2 C 26.676 5.547 -2.422 1.00 . A A . 18 TYR CE2 1 1 8 2312 1 1 18 TYR CG C 26.604 3.381 -1.335 1.00 . A A . 18 TYR CG 1 1 8 2313 1 1 18 TYR CZ C 27.803 5.148 -3.143 1.00 . A A . 18 TYR CZ 1 1 8 2314 1 1 18 TYR H H 25.327 0.939 1.646 1.00 . A A . 18 TYR H 1 1 8 2315 1 1 18 TYR HA H 27.845 1.907 0.531 1.00 . A A . 18 TYR HA 1 1 8 2316 1 1 18 TYR HB2 H 25.784 1.476 -0.839 1.00 . A A . 18 TYR HB2 1 1 8 2317 1 1 18 TYR HB3 H 25.013 2.839 -0.027 1.00 . A A . 18 TYR HB3 1 1 8 2318 1 1 18 TYR HD1 H 28.146 1.996 -1.922 1.00 . A A . 18 TYR HD1 1 1 8 2319 1 1 18 TYR HD2 H 25.207 4.974 -0.959 1.00 . A A . 18 TYR HD2 1 1 8 2320 1 1 18 TYR HE1 H 29.206 3.565 -3.524 1.00 . A A . 18 TYR HE1 1 1 8 2321 1 1 18 TYR HE2 H 26.268 6.536 -2.565 1.00 . A A . 18 TYR HE2 1 1 8 2322 1 1 18 TYR HH H 29.005 6.572 -3.536 1.00 . A A . 18 TYR HH 1 1 8 2323 1 1 18 TYR N N 26.273 1.178 1.742 1.00 . A A . 18 TYR N 1 1 8 2324 1 1 18 TYR O O 28.051 4.132 1.698 1.00 . A A . 18 TYR O 1 1 8 2325 1 1 18 TYR OH O 28.394 6.019 -4.030 1.00 . A A . 18 TYR OH 1 1 8 2326 1 1 19 NH2 HN1 H 25.074 3.580 2.196 1.00 . A A . 19 NH2 HN1 1 1 8 2327 1 1 19 NH2 HN2 H 26.032 4.895 2.734 1.00 . A A . 19 NH2 HN2 1 1 8 2328 1 1 19 NH2 N N 25.947 4.048 2.238 1.00 . A A . 19 NH2 N 1 1 9 2329 1 1 1 GLY C C 3.154 1.480 0.780 1.00 . A A . 1 GLY C 1 1 9 2330 1 1 1 GLY CA C 2.094 2.541 0.499 1.00 . A A . 1 GLY CA 1 1 9 2331 1 1 1 GLY H1 H 0.319 1.779 -0.306 1.00 . A A . 1 GLY H1 1 1 9 2332 1 1 1 GLY H2 H 1.721 1.267 -1.127 1.00 . A A . 1 GLY H2 1 1 9 2333 1 1 1 GLY H3 H 1.135 2.857 -1.333 1.00 . A A . 1 GLY H3 1 1 9 2334 1 1 1 GLY HA2 H 2.574 3.476 0.249 1.00 . A A . 1 GLY HA2 1 1 9 2335 1 1 1 GLY HA3 H 1.475 2.673 1.375 1.00 . A A . 1 GLY HA3 1 1 9 2336 1 1 1 GLY N N 1.253 2.080 -0.652 1.00 . A A . 1 GLY N 1 1 9 2337 1 1 1 GLY O O 4.338 1.746 0.770 1.00 . A A . 1 GLY O 1 1 9 2338 1 1 2 GLU C C 4.884 -0.737 0.308 1.00 . A A . 2 GLU C 1 1 9 2339 1 1 2 GLU CA C 3.655 -0.862 1.227 1.00 . A A . 2 GLU CA 1 1 9 2340 1 1 2 GLU CB C 2.903 -2.163 0.906 1.00 . A A . 2 GLU CB 1 1 9 2341 1 1 2 GLU CD C 1.732 -0.828 -0.903 1.00 . A A . 2 GLU CD 1 1 9 2342 1 1 2 GLU CG C 2.420 -2.159 -0.564 1.00 . A A . 2 GLU CG 1 1 9 2343 1 1 2 GLU H H 1.753 0.096 0.958 1.00 . A A . 2 GLU H 1 1 9 2344 1 1 2 GLU HA H 3.969 -0.870 2.260 1.00 . A A . 2 GLU HA 1 1 9 2345 1 1 2 GLU HB2 H 3.560 -3.006 1.065 1.00 . A A . 2 GLU HB2 1 1 9 2346 1 1 2 GLU HB3 H 2.047 -2.250 1.560 1.00 . A A . 2 GLU HB3 1 1 9 2347 1 1 2 GLU HG2 H 3.264 -2.303 -1.221 1.00 . A A . 2 GLU HG2 1 1 9 2348 1 1 2 GLU HG3 H 1.718 -2.967 -0.709 1.00 . A A . 2 GLU HG3 1 1 9 2349 1 1 2 GLU N N 2.720 0.273 0.990 1.00 . A A . 2 GLU N 1 1 9 2350 1 1 2 GLU O O 6.019 -0.831 0.747 1.00 . A A . 2 GLU O 1 1 9 2351 1 1 2 GLU OE1 O 0.662 -0.582 -0.379 1.00 . A A . 2 GLU OE1 1 1 9 2352 1 1 2 GLU OE2 O 2.309 -0.049 -1.647 1.00 . A A . 2 GLU OE2 1 1 9 2353 1 1 3 CGU C C 6.629 0.835 -1.551 1.00 . A A . 3 CGU C 1 1 9 2354 1 1 3 CGU CA C 5.784 -0.387 -1.925 1.00 . A A . 3 CGU CA 1 1 9 2355 1 1 3 CGU CB C 5.207 -0.212 -3.349 1.00 . A A . 3 CGU CB 1 1 9 2356 1 1 3 CGU CD1 C 7.224 -1.319 -4.405 1.00 . A A . 3 CGU CD1 1 1 9 2357 1 1 3 CGU CD2 C 5.815 0.201 -5.771 1.00 . A A . 3 CGU CD2 1 1 9 2358 1 1 3 CGU CG C 6.356 -0.052 -4.357 1.00 . A A . 3 CGU CG 1 1 9 2359 1 1 3 CGU H H 3.727 -0.443 -1.285 1.00 . A A . 3 CGU H 1 1 9 2360 1 1 3 CGU HA H 6.409 -1.273 -1.876 1.00 . A A . 3 CGU HA 1 1 9 2361 1 1 3 CGU HB2 H 4.594 0.680 -3.372 1.00 . A A . 3 CGU HB2 1 1 9 2362 1 1 3 CGU HB3 H 4.596 -1.069 -3.623 1.00 . A A . 3 CGU HB3 1 1 9 2363 1 1 3 CGU HG H 6.963 0.787 -4.060 1.00 . A A . 3 CGU HG 1 1 9 2364 1 1 3 CGU N N 4.657 -0.521 -0.961 1.00 . A A . 3 CGU N 1 1 9 2365 1 1 3 CGU O O 7.844 0.803 -1.613 1.00 . A A . 3 CGU O 1 1 9 2366 1 1 3 CGU OE11 O 8.276 -1.258 -5.025 1.00 . A A . 3 CGU OE11 1 1 9 2367 1 1 3 CGU OE12 O 6.826 -2.327 -3.846 1.00 . A A . 3 CGU OE12 1 1 9 2368 1 1 3 CGU OE21 O 6.629 0.237 -6.688 1.00 . A A . 3 CGU OE21 1 1 9 2369 1 1 3 CGU OE22 O 4.615 0.355 -5.921 1.00 . A A . 3 CGU OE22 1 1 9 2370 1 1 4 CGU C C 7.642 2.792 0.440 1.00 . A A . 4 CGU C 1 1 9 2371 1 1 4 CGU CA C 6.749 3.124 -0.754 1.00 . A A . 4 CGU CA 1 1 9 2372 1 1 4 CGU CB C 5.757 4.224 -0.372 1.00 . A A . 4 CGU CB 1 1 9 2373 1 1 4 CGU CD1 C 6.593 6.000 -1.957 1.00 . A A . 4 CGU CD1 1 1 9 2374 1 1 4 CGU CD2 C 4.178 5.911 -1.316 1.00 . A A . 4 CGU CD2 1 1 9 2375 1 1 4 CGU CG C 5.421 5.066 -1.607 1.00 . A A . 4 CGU CG 1 1 9 2376 1 1 4 CGU H H 5.016 1.894 -1.094 1.00 . A A . 4 CGU H 1 1 9 2377 1 1 4 CGU HA H 7.360 3.456 -1.581 1.00 . A A . 4 CGU HA 1 1 9 2378 1 1 4 CGU HB2 H 6.190 4.855 0.387 1.00 . A A . 4 CGU HB2 1 1 9 2379 1 1 4 CGU HB3 H 4.852 3.771 0.011 1.00 . A A . 4 CGU HB3 1 1 9 2380 1 1 4 CGU HG H 5.221 4.412 -2.444 1.00 . A A . 4 CGU HG 1 1 9 2381 1 1 4 CGU N N 5.994 1.902 -1.150 1.00 . A A . 4 CGU N 1 1 9 2382 1 1 4 CGU O O 8.727 3.326 0.587 1.00 . A A . 4 CGU O 1 1 9 2383 1 1 4 CGU OE11 O 7.394 6.286 -1.077 1.00 . A A . 4 CGU OE11 1 1 9 2384 1 1 4 CGU OE12 O 6.669 6.416 -3.101 1.00 . A A . 4 CGU OE12 1 1 9 2385 1 1 4 CGU OE21 O 3.085 5.417 -1.545 1.00 . A A . 4 CGU OE21 1 1 9 2386 1 1 4 CGU OE22 O 4.337 7.029 -0.856 1.00 . A A . 4 CGU OE22 1 1 9 2387 1 1 5 LEU C C 9.003 0.431 2.022 1.00 . A A . 5 LEU C 1 1 9 2388 1 1 5 LEU CA C 8.013 1.510 2.461 1.00 . A A . 5 LEU CA 1 1 9 2389 1 1 5 LEU CB C 7.094 0.959 3.553 1.00 . A A . 5 LEU CB 1 1 9 2390 1 1 5 LEU CD1 C 5.102 2.488 3.637 1.00 . A A . 5 LEU CD1 1 1 9 2391 1 1 5 LEU CD2 C 6.169 1.711 5.752 1.00 . A A . 5 LEU CD2 1 1 9 2392 1 1 5 LEU CG C 6.429 2.121 4.302 1.00 . A A . 5 LEU CG 1 1 9 2393 1 1 5 LEU H H 6.321 1.486 1.143 1.00 . A A . 5 LEU H 1 1 9 2394 1 1 5 LEU HA H 8.554 2.367 2.836 1.00 . A A . 5 LEU HA 1 1 9 2395 1 1 5 LEU HB2 H 6.335 0.333 3.104 1.00 . A A . 5 LEU HB2 1 1 9 2396 1 1 5 LEU HB3 H 7.676 0.374 4.248 1.00 . A A . 5 LEU HB3 1 1 9 2397 1 1 5 LEU HD11 H 5.286 2.841 2.634 1.00 . A A . 5 LEU HD11 1 1 9 2398 1 1 5 LEU HD12 H 4.618 3.268 4.208 1.00 . A A . 5 LEU HD12 1 1 9 2399 1 1 5 LEU HD13 H 4.464 1.618 3.602 1.00 . A A . 5 LEU HD13 1 1 9 2400 1 1 5 LEU HD21 H 5.631 0.776 5.769 1.00 . A A . 5 LEU HD21 1 1 9 2401 1 1 5 LEU HD22 H 5.582 2.474 6.242 1.00 . A A . 5 LEU HD22 1 1 9 2402 1 1 5 LEU HD23 H 7.111 1.595 6.267 1.00 . A A . 5 LEU HD23 1 1 9 2403 1 1 5 LEU HG H 7.084 2.979 4.282 1.00 . A A . 5 LEU HG 1 1 9 2404 1 1 5 LEU N N 7.196 1.905 1.287 1.00 . A A . 5 LEU N 1 1 9 2405 1 1 5 LEU O O 10.184 0.496 2.318 1.00 . A A . 5 LEU O 1 1 9 2406 1 1 6 ALA C C 10.619 -1.025 0.073 1.00 . A A . 6 ALA C 1 1 9 2407 1 1 6 ALA CA C 9.435 -1.645 0.825 1.00 . A A . 6 ALA CA 1 1 9 2408 1 1 6 ALA CB C 8.662 -2.582 -0.110 1.00 . A A . 6 ALA CB 1 1 9 2409 1 1 6 ALA H H 7.571 -0.581 1.070 1.00 . A A . 6 ALA H 1 1 9 2410 1 1 6 ALA HA H 9.800 -2.205 1.675 1.00 . A A . 6 ALA HA 1 1 9 2411 1 1 6 ALA HB1 H 9.003 -2.442 -1.126 1.00 . A A . 6 ALA HB1 1 1 9 2412 1 1 6 ALA HB2 H 7.607 -2.362 -0.050 1.00 . A A . 6 ALA HB2 1 1 9 2413 1 1 6 ALA HB3 H 8.831 -3.607 0.187 1.00 . A A . 6 ALA HB3 1 1 9 2414 1 1 6 ALA N N 8.529 -0.559 1.303 1.00 . A A . 6 ALA N 1 1 9 2415 1 1 6 ALA O O 11.768 -1.334 0.336 1.00 . A A . 6 ALA O 1 1 9 2416 1 1 7 CGU C C 12.408 1.170 -0.628 1.00 . A A . 7 CGU C 1 1 9 2417 1 1 7 CGU CA C 11.439 0.519 -1.617 1.00 . A A . 7 CGU CA 1 1 9 2418 1 1 7 CGU CB C 10.840 1.594 -2.529 1.00 . A A . 7 CGU CB 1 1 9 2419 1 1 7 CGU CD1 C 9.053 1.944 -4.286 1.00 . A A . 7 CGU CD1 1 1 9 2420 1 1 7 CGU CD2 C 11.001 0.456 -4.789 1.00 . A A . 7 CGU CD2 1 1 9 2421 1 1 7 CGU CG C 10.043 0.930 -3.679 1.00 . A A . 7 CGU CG 1 1 9 2422 1 1 7 CGU H H 9.409 0.105 -1.038 1.00 . A A . 7 CGU H 1 1 9 2423 1 1 7 CGU HA H 11.964 -0.217 -2.211 1.00 . A A . 7 CGU HA 1 1 9 2424 1 1 7 CGU HB2 H 11.638 2.186 -2.946 1.00 . A A . 7 CGU HB2 1 1 9 2425 1 1 7 CGU HB3 H 10.186 2.236 -1.946 1.00 . A A . 7 CGU HB3 1 1 9 2426 1 1 7 CGU HG H 9.493 0.074 -3.300 1.00 . A A . 7 CGU HG 1 1 9 2427 1 1 7 CGU N N 10.343 -0.138 -0.854 1.00 . A A . 7 CGU N 1 1 9 2428 1 1 7 CGU O O 13.595 0.896 -0.630 1.00 . A A . 7 CGU O 1 1 9 2429 1 1 7 CGU OE11 O 8.638 1.736 -5.420 1.00 . A A . 7 CGU OE11 1 1 9 2430 1 1 7 CGU OE12 O 8.716 2.901 -3.611 1.00 . A A . 7 CGU OE12 1 1 9 2431 1 1 7 CGU OE21 O 12.203 0.565 -4.608 1.00 . A A . 7 CGU OE21 1 1 9 2432 1 1 7 CGU OE22 O 10.510 -0.013 -5.811 1.00 . A A . 7 CGU OE22 1 1 9 2433 1 1 8 LYS C C 13.463 1.604 2.087 1.00 . A A . 8 LYS C 1 1 9 2434 1 1 8 LYS CA C 12.776 2.678 1.241 1.00 . A A . 8 LYS CA 1 1 9 2435 1 1 8 LYS CB C 11.926 3.563 2.150 1.00 . A A . 8 LYS CB 1 1 9 2436 1 1 8 LYS CD C 10.496 5.607 2.273 1.00 . A A . 8 LYS CD 1 1 9 2437 1 1 8 LYS CE C 9.553 6.476 1.439 1.00 . A A . 8 LYS CE 1 1 9 2438 1 1 8 LYS CG C 11.362 4.740 1.351 1.00 . A A . 8 LYS CG 1 1 9 2439 1 1 8 LYS H H 10.939 2.207 0.220 1.00 . A A . 8 LYS H 1 1 9 2440 1 1 8 LYS HA H 13.519 3.281 0.744 1.00 . A A . 8 LYS HA 1 1 9 2441 1 1 8 LYS HB2 H 11.115 2.978 2.558 1.00 . A A . 8 LYS HB2 1 1 9 2442 1 1 8 LYS HB3 H 12.539 3.938 2.956 1.00 . A A . 8 LYS HB3 1 1 9 2443 1 1 8 LYS HD2 H 9.918 4.969 2.923 1.00 . A A . 8 LYS HD2 1 1 9 2444 1 1 8 LYS HD3 H 11.134 6.243 2.870 1.00 . A A . 8 LYS HD3 1 1 9 2445 1 1 8 LYS HE2 H 9.206 7.307 2.036 1.00 . A A . 8 LYS HE2 1 1 9 2446 1 1 8 LYS HE3 H 10.079 6.850 0.571 1.00 . A A . 8 LYS HE3 1 1 9 2447 1 1 8 LYS HG2 H 12.177 5.333 0.958 1.00 . A A . 8 LYS HG2 1 1 9 2448 1 1 8 LYS HG3 H 10.760 4.370 0.535 1.00 . A A . 8 LYS HG3 1 1 9 2449 1 1 8 LYS HZ1 H 8.021 6.011 0.081 1.00 . A A . 8 LYS HZ1 1 1 9 2450 1 1 8 LYS HZ2 H 7.638 5.703 1.720 1.00 . A A . 8 LYS HZ2 1 1 9 2451 1 1 8 LYS HZ3 H 8.690 4.652 0.881 1.00 . A A . 8 LYS HZ3 1 1 9 2452 1 1 8 LYS N N 11.901 2.017 0.232 1.00 . A A . 8 LYS N 1 1 9 2453 1 1 8 LYS NZ N 8.389 5.650 1.002 1.00 . A A . 8 LYS NZ 1 1 9 2454 1 1 8 LYS O O 14.640 1.688 2.384 1.00 . A A . 8 LYS O 1 1 9 2455 1 1 9 ALA C C 14.420 -1.231 2.524 1.00 . A A . 9 ALA C 1 1 9 2456 1 1 9 ALA CA C 13.324 -0.494 3.309 1.00 . A A . 9 ALA CA 1 1 9 2457 1 1 9 ALA CB C 12.223 -1.484 3.700 1.00 . A A . 9 ALA CB 1 1 9 2458 1 1 9 ALA H H 11.775 0.554 2.225 1.00 . A A . 9 ALA H 1 1 9 2459 1 1 9 ALA HA H 13.752 -0.066 4.203 1.00 . A A . 9 ALA HA 1 1 9 2460 1 1 9 ALA HB1 H 11.312 -0.944 3.910 1.00 . A A . 9 ALA HB1 1 1 9 2461 1 1 9 ALA HB2 H 12.527 -2.032 4.580 1.00 . A A . 9 ALA HB2 1 1 9 2462 1 1 9 ALA HB3 H 12.052 -2.175 2.888 1.00 . A A . 9 ALA HB3 1 1 9 2463 1 1 9 ALA N N 12.728 0.594 2.477 1.00 . A A . 9 ALA N 1 1 9 2464 1 1 9 ALA O O 15.473 -1.542 3.056 1.00 . A A . 9 ALA O 1 1 9 2465 1 1 10 CGU C C 16.377 -1.306 0.139 1.00 . A A . 10 CGU C 1 1 9 2466 1 1 10 CGU CA C 15.212 -2.252 0.486 1.00 . A A . 10 CGU CA 1 1 9 2467 1 1 10 CGU CB C 14.571 -2.810 -0.794 1.00 . A A . 10 CGU CB 1 1 9 2468 1 1 10 CGU CD1 C 15.153 -3.207 -3.225 1.00 . A A . 10 CGU CD1 1 1 9 2469 1 1 10 CGU CD2 C 16.297 -4.536 -1.457 1.00 . A A . 10 CGU CD2 1 1 9 2470 1 1 10 CGU CG C 15.680 -3.162 -1.785 1.00 . A A . 10 CGU CG 1 1 9 2471 1 1 10 CGU H H 13.338 -1.277 0.851 1.00 . A A . 10 CGU H 1 1 9 2472 1 1 10 CGU HA H 15.593 -3.072 1.078 1.00 . A A . 10 CGU HA 1 1 9 2473 1 1 10 CGU HB2 H 13.917 -2.071 -1.229 1.00 . A A . 10 CGU HB2 1 1 9 2474 1 1 10 CGU HB3 H 14.002 -3.698 -0.554 1.00 . A A . 10 CGU HB3 1 1 9 2475 1 1 10 CGU HG H 16.436 -2.405 -1.714 1.00 . A A . 10 CGU HG 1 1 9 2476 1 1 10 CGU N N 14.187 -1.526 1.272 1.00 . A A . 10 CGU N 1 1 9 2477 1 1 10 CGU O O 17.531 -1.675 0.250 1.00 . A A . 10 CGU O 1 1 9 2478 1 1 10 CGU OE11 O 13.949 -3.162 -3.411 1.00 . A A . 10 CGU OE11 1 1 9 2479 1 1 10 CGU OE12 O 15.983 -3.298 -4.126 1.00 . A A . 10 CGU OE12 1 1 9 2480 1 1 10 CGU OE21 O 16.168 -4.979 -0.329 1.00 . A A . 10 CGU OE21 1 1 9 2481 1 1 10 CGU OE22 O 16.906 -5.118 -2.352 1.00 . A A . 10 CGU OE22 1 1 9 2482 1 1 11 PHE C C 18.084 1.015 0.628 1.00 . A A . 11 PHE C 1 1 9 2483 1 1 11 PHE CA C 17.197 0.861 -0.603 1.00 . A A . 11 PHE CA 1 1 9 2484 1 1 11 PHE CB C 16.576 2.197 -1.042 1.00 . A A . 11 PHE CB 1 1 9 2485 1 1 11 PHE CD1 C 17.237 3.638 0.929 1.00 . A A . 11 PHE CD1 1 1 9 2486 1 1 11 PHE CD2 C 17.994 4.271 -1.283 1.00 . A A . 11 PHE CD2 1 1 9 2487 1 1 11 PHE CE1 C 17.867 4.764 1.469 1.00 . A A . 11 PHE CE1 1 1 9 2488 1 1 11 PHE CE2 C 18.630 5.394 -0.741 1.00 . A A . 11 PHE CE2 1 1 9 2489 1 1 11 PHE CG C 17.298 3.390 -0.448 1.00 . A A . 11 PHE CG 1 1 9 2490 1 1 11 PHE CZ C 18.565 5.642 0.634 1.00 . A A . 11 PHE CZ 1 1 9 2491 1 1 11 PHE H H 15.156 0.201 -0.335 1.00 . A A . 11 PHE H 1 1 9 2492 1 1 11 PHE HA H 17.793 0.464 -1.410 1.00 . A A . 11 PHE HA 1 1 9 2493 1 1 11 PHE HB2 H 16.619 2.265 -2.118 1.00 . A A . 11 PHE HB2 1 1 9 2494 1 1 11 PHE HB3 H 15.544 2.220 -0.734 1.00 . A A . 11 PHE HB3 1 1 9 2495 1 1 11 PHE HD1 H 16.709 2.957 1.573 1.00 . A A . 11 PHE HD1 1 1 9 2496 1 1 11 PHE HD2 H 18.059 4.072 -2.346 1.00 . A A . 11 PHE HD2 1 1 9 2497 1 1 11 PHE HE1 H 17.819 4.952 2.531 1.00 . A A . 11 PHE HE1 1 1 9 2498 1 1 11 PHE HE2 H 19.167 6.074 -1.386 1.00 . A A . 11 PHE HE2 1 1 9 2499 1 1 11 PHE HZ H 19.052 6.512 1.050 1.00 . A A . 11 PHE HZ 1 1 9 2500 1 1 11 PHE N N 16.092 -0.091 -0.266 1.00 . A A . 11 PHE N 1 1 9 2501 1 1 11 PHE O O 19.291 1.123 0.530 1.00 . A A . 11 PHE O 1 1 9 2502 1 1 12 ALA C C 19.317 -0.021 3.084 1.00 . A A . 12 ALA C 1 1 9 2503 1 1 12 ALA CA C 18.297 1.119 3.029 1.00 . A A . 12 ALA CA 1 1 9 2504 1 1 12 ALA CB C 17.363 1.044 4.240 1.00 . A A . 12 ALA CB 1 1 9 2505 1 1 12 ALA H H 16.521 0.884 1.841 1.00 . A A . 12 ALA H 1 1 9 2506 1 1 12 ALA HA H 18.816 2.065 3.031 1.00 . A A . 12 ALA HA 1 1 9 2507 1 1 12 ALA HB1 H 16.656 1.859 4.201 1.00 . A A . 12 ALA HB1 1 1 9 2508 1 1 12 ALA HB2 H 17.944 1.114 5.148 1.00 . A A . 12 ALA HB2 1 1 9 2509 1 1 12 ALA HB3 H 16.830 0.104 4.227 1.00 . A A . 12 ALA HB3 1 1 9 2510 1 1 12 ALA N N 17.494 0.995 1.788 1.00 . A A . 12 ALA N 1 1 9 2511 1 1 12 ALA O O 20.466 0.184 3.409 1.00 . A A . 12 ALA O 1 1 9 2512 1 1 13 ARG C C 21.036 -2.126 1.824 1.00 . A A . 13 ARG C 1 1 9 2513 1 1 13 ARG CA C 19.876 -2.364 2.803 1.00 . A A . 13 ARG CA 1 1 9 2514 1 1 13 ARG CB C 19.145 -3.657 2.424 1.00 . A A . 13 ARG CB 1 1 9 2515 1 1 13 ARG CD C 17.359 -5.274 3.090 1.00 . A A . 13 ARG CD 1 1 9 2516 1 1 13 ARG CG C 18.055 -3.961 3.456 1.00 . A A . 13 ARG CG 1 1 9 2517 1 1 13 ARG CZ C 18.718 -6.861 4.315 1.00 . A A . 13 ARG CZ 1 1 9 2518 1 1 13 ARG H H 17.976 -1.371 2.488 1.00 . A A . 13 ARG H 1 1 9 2519 1 1 13 ARG HA H 20.271 -2.459 3.804 1.00 . A A . 13 ARG HA 1 1 9 2520 1 1 13 ARG HB2 H 18.693 -3.540 1.451 1.00 . A A . 13 ARG HB2 1 1 9 2521 1 1 13 ARG HB3 H 19.851 -4.475 2.397 1.00 . A A . 13 ARG HB3 1 1 9 2522 1 1 13 ARG HD2 H 16.547 -5.456 3.781 1.00 . A A . 13 ARG HD2 1 1 9 2523 1 1 13 ARG HD3 H 16.966 -5.205 2.085 1.00 . A A . 13 ARG HD3 1 1 9 2524 1 1 13 ARG HE H 18.710 -6.784 2.342 1.00 . A A . 13 ARG HE 1 1 9 2525 1 1 13 ARG HG2 H 18.500 -4.047 4.438 1.00 . A A . 13 ARG HG2 1 1 9 2526 1 1 13 ARG HG3 H 17.329 -3.160 3.460 1.00 . A A . 13 ARG HG3 1 1 9 2527 1 1 13 ARG HH11 H 20.264 -5.625 4.477 1.00 . A A . 13 ARG HH11 1 1 9 2528 1 1 13 ARG HH12 H 20.042 -6.723 5.796 1.00 . A A . 13 ARG HH12 1 1 9 2529 1 1 13 ARG HH21 H 17.253 -8.197 4.403 1.00 . A A . 13 ARG HH21 1 1 9 2530 1 1 13 ARG HH22 H 18.334 -8.180 5.752 1.00 . A A . 13 ARG HH22 1 1 9 2531 1 1 13 ARG N N 18.913 -1.221 2.760 1.00 . A A . 13 ARG N 1 1 9 2532 1 1 13 ARG NE N 18.343 -6.397 3.165 1.00 . A A . 13 ARG NE 1 1 9 2533 1 1 13 ARG NH1 N 19.753 -6.366 4.908 1.00 . A A . 13 ARG NH1 1 1 9 2534 1 1 13 ARG NH2 N 18.052 -7.819 4.866 1.00 . A A . 13 ARG NH2 1 1 9 2535 1 1 13 ARG O O 22.186 -2.031 2.219 1.00 . A A . 13 ARG O 1 1 9 2536 1 1 14 CGU C C 22.606 -0.556 -0.199 1.00 . A A . 14 CGU C 1 1 9 2537 1 1 14 CGU CA C 21.817 -1.843 -0.464 1.00 . A A . 14 CGU CA 1 1 9 2538 1 1 14 CGU CB C 21.166 -1.773 -1.849 1.00 . A A . 14 CGU CB 1 1 9 2539 1 1 14 CGU CD1 C 19.246 -3.348 -1.792 1.00 . A A . 14 CGU CD1 1 1 9 2540 1 1 14 CGU CD2 C 20.744 -3.368 -3.777 1.00 . A A . 14 CGU CD2 1 1 9 2541 1 1 14 CGU CG C 20.689 -3.176 -2.248 1.00 . A A . 14 CGU CG 1 1 9 2542 1 1 14 CGU H H 19.817 -2.146 0.260 1.00 . A A . 14 CGU H 1 1 9 2543 1 1 14 CGU HA H 22.495 -2.683 -0.438 1.00 . A A . 14 CGU HA 1 1 9 2544 1 1 14 CGU HB2 H 21.876 -1.411 -2.568 1.00 . A A . 14 CGU HB2 1 1 9 2545 1 1 14 CGU HB3 H 20.316 -1.103 -1.814 1.00 . A A . 14 CGU HB3 1 1 9 2546 1 1 14 CGU HG H 21.308 -3.916 -1.765 1.00 . A A . 14 CGU HG 1 1 9 2547 1 1 14 CGU N N 20.746 -2.049 0.554 1.00 . A A . 14 CGU N 1 1 9 2548 1 1 14 CGU O O 23.804 -0.513 -0.397 1.00 . A A . 14 CGU O 1 1 9 2549 1 1 14 CGU OE11 O 18.375 -2.823 -2.465 1.00 . A A . 14 CGU OE11 1 1 9 2550 1 1 14 CGU OE12 O 19.032 -4.006 -0.794 1.00 . A A . 14 CGU OE12 1 1 9 2551 1 1 14 CGU OE21 O 21.720 -2.949 -4.374 1.00 . A A . 14 CGU OE21 1 1 9 2552 1 1 14 CGU OE22 O 19.803 -3.943 -4.324 1.00 . A A . 14 CGU OE22 1 1 9 2553 1 1 15 LEU C C 23.274 1.840 1.869 1.00 . A A . 15 LEU C 1 1 9 2554 1 1 15 LEU CA C 22.690 1.778 0.446 1.00 . A A . 15 LEU CA 1 1 9 2555 1 1 15 LEU CB C 21.730 2.946 0.176 1.00 . A A . 15 LEU CB 1 1 9 2556 1 1 15 LEU CD1 C 20.473 2.155 -1.848 1.00 . A A . 15 LEU CD1 1 1 9 2557 1 1 15 LEU CD2 C 21.151 4.544 -1.660 1.00 . A A . 15 LEU CD2 1 1 9 2558 1 1 15 LEU CG C 21.555 3.108 -1.342 1.00 . A A . 15 LEU CG 1 1 9 2559 1 1 15 LEU H H 20.984 0.465 0.346 1.00 . A A . 15 LEU H 1 1 9 2560 1 1 15 LEU HA H 23.512 1.833 -0.252 1.00 . A A . 15 LEU HA 1 1 9 2561 1 1 15 LEU HB2 H 20.768 2.739 0.630 1.00 . A A . 15 LEU HB2 1 1 9 2562 1 1 15 LEU HB3 H 22.132 3.857 0.590 1.00 . A A . 15 LEU HB3 1 1 9 2563 1 1 15 LEU HD11 H 19.558 2.328 -1.305 1.00 . A A . 15 LEU HD11 1 1 9 2564 1 1 15 LEU HD12 H 20.793 1.136 -1.700 1.00 . A A . 15 LEU HD12 1 1 9 2565 1 1 15 LEU HD13 H 20.304 2.331 -2.900 1.00 . A A . 15 LEU HD13 1 1 9 2566 1 1 15 LEU HD21 H 20.277 4.539 -2.294 1.00 . A A . 15 LEU HD21 1 1 9 2567 1 1 15 LEU HD22 H 21.961 5.041 -2.168 1.00 . A A . 15 LEU HD22 1 1 9 2568 1 1 15 LEU HD23 H 20.927 5.065 -0.741 1.00 . A A . 15 LEU HD23 1 1 9 2569 1 1 15 LEU HG H 22.483 2.880 -1.841 1.00 . A A . 15 LEU HG 1 1 9 2570 1 1 15 LEU N N 21.956 0.501 0.213 1.00 . A A . 15 LEU N 1 1 9 2571 1 1 15 LEU O O 24.374 2.324 2.062 1.00 . A A . 15 LEU O 1 1 9 2572 1 1 16 ALA C C 24.260 0.323 4.363 1.00 . A A . 16 ALA C 1 1 9 2573 1 1 16 ALA CA C 23.156 1.379 4.247 1.00 . A A . 16 ALA CA 1 1 9 2574 1 1 16 ALA CB C 22.062 1.088 5.278 1.00 . A A . 16 ALA CB 1 1 9 2575 1 1 16 ALA H H 21.701 0.934 2.703 1.00 . A A . 16 ALA H 1 1 9 2576 1 1 16 ALA HA H 23.578 2.356 4.435 1.00 . A A . 16 ALA HA 1 1 9 2577 1 1 16 ALA HB1 H 21.189 1.683 5.055 1.00 . A A . 16 ALA HB1 1 1 9 2578 1 1 16 ALA HB2 H 22.424 1.335 6.266 1.00 . A A . 16 ALA HB2 1 1 9 2579 1 1 16 ALA HB3 H 21.803 0.040 5.243 1.00 . A A . 16 ALA HB3 1 1 9 2580 1 1 16 ALA N N 22.583 1.342 2.863 1.00 . A A . 16 ALA N 1 1 9 2581 1 1 16 ALA O O 25.203 0.475 5.114 1.00 . A A . 16 ALA O 1 1 9 2582 1 1 17 ASN C C 26.242 -1.519 2.563 1.00 . A A . 17 ASN C 1 1 9 2583 1 1 17 ASN CA C 25.208 -1.804 3.660 1.00 . A A . 17 ASN CA 1 1 9 2584 1 1 17 ASN CB C 24.560 -3.186 3.441 1.00 . A A . 17 ASN CB 1 1 9 2585 1 1 17 ASN CG C 25.522 -4.297 3.871 1.00 . A A . 17 ASN CG 1 1 9 2586 1 1 17 ASN H H 23.389 -0.829 2.998 1.00 . A A . 17 ASN H 1 1 9 2587 1 1 17 ASN HA H 25.696 -1.783 4.625 1.00 . A A . 17 ASN HA 1 1 9 2588 1 1 17 ASN HB2 H 23.658 -3.261 4.032 1.00 . A A . 17 ASN HB2 1 1 9 2589 1 1 17 ASN HB3 H 24.318 -3.309 2.396 1.00 . A A . 17 ASN HB3 1 1 9 2590 1 1 17 ASN HD21 H 27.084 -3.512 2.926 1.00 . A A . 17 ASN HD21 1 1 9 2591 1 1 17 ASN HD22 H 27.378 -4.974 3.768 1.00 . A A . 17 ASN HD22 1 1 9 2592 1 1 17 ASN N N 24.155 -0.739 3.609 1.00 . A A . 17 ASN N 1 1 9 2593 1 1 17 ASN ND2 N 26.762 -4.260 3.493 1.00 . A A . 17 ASN ND2 1 1 9 2594 1 1 17 ASN O O 27.182 -2.265 2.364 1.00 . A A . 17 ASN O 1 1 9 2595 1 1 17 ASN OD1 O 25.133 -5.213 4.561 1.00 . A A . 17 ASN OD1 1 1 9 2596 1 1 18 TYR C C 28.407 0.238 1.363 1.00 . A A . 18 TYR C 1 1 9 2597 1 1 18 TYR CA C 27.028 -0.082 0.763 1.00 . A A . 18 TYR CA 1 1 9 2598 1 1 18 TYR CB C 26.492 1.146 0.013 1.00 . A A . 18 TYR CB 1 1 9 2599 1 1 18 TYR CD1 C 28.485 1.739 -1.422 1.00 . A A . 18 TYR CD1 1 1 9 2600 1 1 18 TYR CD2 C 26.471 0.929 -2.504 1.00 . A A . 18 TYR CD2 1 1 9 2601 1 1 18 TYR CE1 C 29.106 1.855 -2.671 1.00 . A A . 18 TYR CE1 1 1 9 2602 1 1 18 TYR CE2 C 27.096 1.048 -3.751 1.00 . A A . 18 TYR CE2 1 1 9 2603 1 1 18 TYR CG C 27.165 1.273 -1.337 1.00 . A A . 18 TYR CG 1 1 9 2604 1 1 18 TYR CZ C 28.411 1.510 -3.834 1.00 . A A . 18 TYR CZ 1 1 9 2605 1 1 18 TYR H H 25.304 0.146 2.034 1.00 . A A . 18 TYR H 1 1 9 2606 1 1 18 TYR HA H 27.119 -0.916 0.082 1.00 . A A . 18 TYR HA 1 1 9 2607 1 1 18 TYR HB2 H 25.427 1.042 -0.126 1.00 . A A . 18 TYR HB2 1 1 9 2608 1 1 18 TYR HB3 H 26.687 2.035 0.597 1.00 . A A . 18 TYR HB3 1 1 9 2609 1 1 18 TYR HD1 H 29.022 2.007 -0.528 1.00 . A A . 18 TYR HD1 1 1 9 2610 1 1 18 TYR HD2 H 25.455 0.574 -2.444 1.00 . A A . 18 TYR HD2 1 1 9 2611 1 1 18 TYR HE1 H 30.122 2.214 -2.737 1.00 . A A . 18 TYR HE1 1 1 9 2612 1 1 18 TYR HE2 H 26.562 0.784 -4.651 1.00 . A A . 18 TYR HE2 1 1 9 2613 1 1 18 TYR HH H 29.174 2.559 -5.233 1.00 . A A . 18 TYR HH 1 1 9 2614 1 1 18 TYR N N 26.070 -0.436 1.852 1.00 . A A . 18 TYR N 1 1 9 2615 1 1 18 TYR O O 29.421 -0.192 0.859 1.00 . A A . 18 TYR O 1 1 9 2616 1 1 18 TYR OH O 29.022 1.626 -5.063 1.00 . A A . 18 TYR OH 1 1 9 2617 1 1 19 NH2 HN1 H 27.669 1.343 2.841 1.00 . A A . 19 NH2 HN1 1 1 9 2618 1 1 19 NH2 HN2 H 29.374 1.203 2.803 1.00 . A A . 19 NH2 HN2 1 1 9 2619 1 1 19 NH2 N N 28.489 0.990 2.424 1.00 . A A . 19 NH2 N 1 1 10 2620 1 1 1 GLY C C 2.891 2.128 1.014 1.00 . A A . 1 GLY C 1 1 10 2621 1 1 1 GLY CA C 1.815 3.136 0.591 1.00 . A A . 1 GLY CA 1 1 10 2622 1 1 1 GLY H1 H 1.716 4.766 -0.706 1.00 . A A . 1 GLY H1 1 1 10 2623 1 1 1 GLY H2 H 3.164 3.876 -0.822 1.00 . A A . 1 GLY H2 1 1 10 2624 1 1 1 GLY H3 H 2.901 4.918 0.500 1.00 . A A . 1 GLY H3 1 1 10 2625 1 1 1 GLY HA2 H 1.323 3.524 1.472 1.00 . A A . 1 GLY HA2 1 1 10 2626 1 1 1 GLY HA3 H 1.088 2.641 -0.036 1.00 . A A . 1 GLY HA3 1 1 10 2627 1 1 1 GLY N N 2.443 4.259 -0.164 1.00 . A A . 1 GLY N 1 1 10 2628 1 1 1 GLY O O 3.979 2.501 1.401 1.00 . A A . 1 GLY O 1 1 10 2629 1 1 2 GLU C C 4.801 -0.188 0.427 1.00 . A A . 2 GLU C 1 1 10 2630 1 1 2 GLU CA C 3.576 -0.190 1.359 1.00 . A A . 2 GLU CA 1 1 10 2631 1 1 2 GLU CB C 2.894 -1.559 1.294 1.00 . A A . 2 GLU CB 1 1 10 2632 1 1 2 GLU CD C 3.260 -4.029 1.456 1.00 . A A . 2 GLU CD 1 1 10 2633 1 1 2 GLU CG C 3.883 -2.655 1.709 1.00 . A A . 2 GLU CG 1 1 10 2634 1 1 2 GLU H H 1.696 0.586 0.642 1.00 . A A . 2 GLU H 1 1 10 2635 1 1 2 GLU HA H 3.899 -0.002 2.373 1.00 . A A . 2 GLU HA 1 1 10 2636 1 1 2 GLU HB2 H 2.045 -1.569 1.964 1.00 . A A . 2 GLU HB2 1 1 10 2637 1 1 2 GLU HB3 H 2.555 -1.746 0.285 1.00 . A A . 2 GLU HB3 1 1 10 2638 1 1 2 GLU HG2 H 4.791 -2.562 1.130 1.00 . A A . 2 GLU HG2 1 1 10 2639 1 1 2 GLU HG3 H 4.112 -2.556 2.758 1.00 . A A . 2 GLU HG3 1 1 10 2640 1 1 2 GLU N N 2.587 0.858 0.951 1.00 . A A . 2 GLU N 1 1 10 2641 1 1 2 GLU O O 5.934 -0.175 0.877 1.00 . A A . 2 GLU O 1 1 10 2642 1 1 2 GLU OE1 O 2.258 -4.330 2.084 1.00 . A A . 2 GLU OE1 1 1 10 2643 1 1 2 GLU OE2 O 3.797 -4.753 0.635 1.00 . A A . 2 GLU OE2 1 1 10 2644 1 1 3 CGU C C 6.785 0.785 -1.436 1.00 . A A . 3 CGU C 1 1 10 2645 1 1 3 CGU CA C 5.723 -0.248 -1.836 1.00 . A A . 3 CGU CA 1 1 10 2646 1 1 3 CGU CB C 5.196 0.079 -3.255 1.00 . A A . 3 CGU CB 1 1 10 2647 1 1 3 CGU CD1 C 7.074 -1.275 -4.289 1.00 . A A . 3 CGU CD1 1 1 10 2648 1 1 3 CGU CD2 C 5.894 0.411 -5.671 1.00 . A A . 3 CGU CD2 1 1 10 2649 1 1 3 CGU CG C 6.372 0.092 -4.248 1.00 . A A . 3 CGU CG 1 1 10 2650 1 1 3 CGU H H 3.660 -0.248 -1.195 1.00 . A A . 3 CGU H 1 1 10 2651 1 1 3 CGU HA H 6.179 -1.233 -1.823 1.00 . A A . 3 CGU HA 1 1 10 2652 1 1 3 CGU HB2 H 4.738 1.059 -3.243 1.00 . A A . 3 CGU HB2 1 1 10 2653 1 1 3 CGU HB3 H 4.457 -0.656 -3.570 1.00 . A A . 3 CGU HB3 1 1 10 2654 1 1 3 CGU HG H 7.076 0.848 -3.942 1.00 . A A . 3 CGU HG 1 1 10 2655 1 1 3 CGU N N 4.581 -0.221 -0.864 1.00 . A A . 3 CGU N 1 1 10 2656 1 1 3 CGU O O 7.971 0.502 -1.450 1.00 . A A . 3 CGU O 1 1 10 2657 1 1 3 CGU OE11 O 6.506 -2.241 -3.813 1.00 . A A . 3 CGU OE11 1 1 10 2658 1 1 3 CGU OE12 O 8.169 -1.330 -4.828 1.00 . A A . 3 CGU OE12 1 1 10 2659 1 1 3 CGU OE21 O 4.753 0.808 -5.832 1.00 . A A . 3 CGU OE21 1 1 10 2660 1 1 3 CGU OE22 O 6.699 0.248 -6.584 1.00 . A A . 3 CGU OE22 1 1 10 2661 1 1 4 CGU C C 8.210 2.489 0.475 1.00 . A A . 4 CGU C 1 1 10 2662 1 1 4 CGU CA C 7.350 3.016 -0.674 1.00 . A A . 4 CGU CA 1 1 10 2663 1 1 4 CGU CB C 6.575 4.251 -0.220 1.00 . A A . 4 CGU CB 1 1 10 2664 1 1 4 CGU CD1 C 5.223 6.218 -0.985 1.00 . A A . 4 CGU CD1 1 1 10 2665 1 1 4 CGU CD2 C 5.014 4.055 -2.195 1.00 . A A . 4 CGU CD2 1 1 10 2666 1 1 4 CGU CG C 5.990 4.980 -1.452 1.00 . A A . 4 CGU CG 1 1 10 2667 1 1 4 CGU H H 5.414 2.172 -1.073 1.00 . A A . 4 CGU H 1 1 10 2668 1 1 4 CGU HA H 7.981 3.271 -1.513 1.00 . A A . 4 CGU HA 1 1 10 2669 1 1 4 CGU HB2 H 7.233 4.913 0.329 1.00 . A A . 4 CGU HB2 1 1 10 2670 1 1 4 CGU HB3 H 5.765 3.938 0.427 1.00 . A A . 4 CGU HB3 1 1 10 2671 1 1 4 CGU HG H 6.784 5.276 -2.133 1.00 . A A . 4 CGU HG 1 1 10 2672 1 1 4 CGU N N 6.374 1.968 -1.078 1.00 . A A . 4 CGU N 1 1 10 2673 1 1 4 CGU O O 9.422 2.609 0.465 1.00 . A A . 4 CGU O 1 1 10 2674 1 1 4 CGU OE11 O 5.632 7.312 -1.334 1.00 . A A . 4 CGU OE11 1 1 10 2675 1 1 4 CGU OE12 O 4.240 6.050 -0.279 1.00 . A A . 4 CGU OE12 1 1 10 2676 1 1 4 CGU OE21 O 4.239 3.377 -1.535 1.00 . A A . 4 CGU OE21 1 1 10 2677 1 1 4 CGU OE22 O 5.058 4.040 -3.413 1.00 . A A . 4 CGU OE22 1 1 10 2678 1 1 5 LEU C C 9.201 0.151 2.057 1.00 . A A . 5 LEU C 1 1 10 2679 1 1 5 LEU CA C 8.367 1.317 2.588 1.00 . A A . 5 LEU CA 1 1 10 2680 1 1 5 LEU CB C 7.402 0.816 3.669 1.00 . A A . 5 LEU CB 1 1 10 2681 1 1 5 LEU CD1 C 5.735 2.685 3.851 1.00 . A A . 5 LEU CD1 1 1 10 2682 1 1 5 LEU CD2 C 6.481 1.475 5.899 1.00 . A A . 5 LEU CD2 1 1 10 2683 1 1 5 LEU CG C 6.919 1.993 4.527 1.00 . A A . 5 LEU CG 1 1 10 2684 1 1 5 LEU H H 6.619 1.775 1.428 1.00 . A A . 5 LEU H 1 1 10 2685 1 1 5 LEU HA H 9.019 2.074 2.998 1.00 . A A . 5 LEU HA 1 1 10 2686 1 1 5 LEU HB2 H 6.552 0.339 3.200 1.00 . A A . 5 LEU HB2 1 1 10 2687 1 1 5 LEU HB3 H 7.911 0.103 4.297 1.00 . A A . 5 LEU HB3 1 1 10 2688 1 1 5 LEU HD11 H 5.030 1.941 3.509 1.00 . A A . 5 LEU HD11 1 1 10 2689 1 1 5 LEU HD12 H 6.085 3.262 3.009 1.00 . A A . 5 LEU HD12 1 1 10 2690 1 1 5 LEU HD13 H 5.250 3.341 4.560 1.00 . A A . 5 LEU HD13 1 1 10 2691 1 1 5 LEU HD21 H 5.985 2.268 6.441 1.00 . A A . 5 LEU HD21 1 1 10 2692 1 1 5 LEU HD22 H 7.348 1.148 6.453 1.00 . A A . 5 LEU HD22 1 1 10 2693 1 1 5 LEU HD23 H 5.801 0.647 5.770 1.00 . A A . 5 LEU HD23 1 1 10 2694 1 1 5 LEU HG H 7.724 2.703 4.650 1.00 . A A . 5 LEU HG 1 1 10 2695 1 1 5 LEU N N 7.592 1.880 1.453 1.00 . A A . 5 LEU N 1 1 10 2696 1 1 5 LEU O O 10.379 0.040 2.333 1.00 . A A . 5 LEU O 1 1 10 2697 1 1 6 ALA C C 10.562 -1.351 -0.053 1.00 . A A . 6 ALA C 1 1 10 2698 1 1 6 ALA CA C 9.329 -1.866 0.699 1.00 . A A . 6 ALA CA 1 1 10 2699 1 1 6 ALA CB C 8.407 -2.618 -0.267 1.00 . A A . 6 ALA CB 1 1 10 2700 1 1 6 ALA H H 7.638 -0.576 1.064 1.00 . A A . 6 ALA H 1 1 10 2701 1 1 6 ALA HA H 9.643 -2.529 1.492 1.00 . A A . 6 ALA HA 1 1 10 2702 1 1 6 ALA HB1 H 8.799 -3.610 -0.442 1.00 . A A . 6 ALA HB1 1 1 10 2703 1 1 6 ALA HB2 H 8.350 -2.083 -1.203 1.00 . A A . 6 ALA HB2 1 1 10 2704 1 1 6 ALA HB3 H 7.419 -2.693 0.164 1.00 . A A . 6 ALA HB3 1 1 10 2705 1 1 6 ALA N N 8.589 -0.706 1.279 1.00 . A A . 6 ALA N 1 1 10 2706 1 1 6 ALA O O 11.672 -1.801 0.169 1.00 . A A . 6 ALA O 1 1 10 2707 1 1 7 CGU C C 12.534 0.724 -0.664 1.00 . A A . 7 CGU C 1 1 10 2708 1 1 7 CGU CA C 11.533 0.165 -1.675 1.00 . A A . 7 CGU CA 1 1 10 2709 1 1 7 CGU CB C 11.041 1.283 -2.594 1.00 . A A . 7 CGU CB 1 1 10 2710 1 1 7 CGU CD1 C 9.317 1.768 -4.384 1.00 . A A . 7 CGU CD1 1 1 10 2711 1 1 7 CGU CD2 C 11.101 0.072 -4.820 1.00 . A A . 7 CGU CD2 1 1 10 2712 1 1 7 CGU CG C 10.190 0.678 -3.736 1.00 . A A . 7 CGU CG 1 1 10 2713 1 1 7 CGU H H 9.475 -0.034 -1.079 1.00 . A A . 7 CGU H 1 1 10 2714 1 1 7 CGU HA H 12.001 -0.615 -2.260 1.00 . A A . 7 CGU HA 1 1 10 2715 1 1 7 CGU HB2 H 11.889 1.795 -3.016 1.00 . A A . 7 CGU HB2 1 1 10 2716 1 1 7 CGU HB3 H 10.448 1.989 -2.018 1.00 . A A . 7 CGU HB3 1 1 10 2717 1 1 7 CGU HG H 9.551 -0.105 -3.340 1.00 . A A . 7 CGU HG 1 1 10 2718 1 1 7 CGU N N 10.376 -0.394 -0.928 1.00 . A A . 7 CGU N 1 1 10 2719 1 1 7 CGU O O 13.699 0.365 -0.660 1.00 . A A . 7 CGU O 1 1 10 2720 1 1 7 CGU OE11 O 9.073 2.775 -3.742 1.00 . A A . 7 CGU OE11 1 1 10 2721 1 1 7 CGU OE12 O 8.894 1.567 -5.516 1.00 . A A . 7 CGU OE12 1 1 10 2722 1 1 7 CGU OE21 O 10.566 -0.448 -5.794 1.00 . A A . 7 CGU OE21 1 1 10 2723 1 1 7 CGU OE22 O 12.310 0.134 -4.668 1.00 . A A . 7 CGU OE22 1 1 10 2724 1 1 8 LYS C C 13.632 1.001 2.023 1.00 . A A . 8 LYS C 1 1 10 2725 1 1 8 LYS CA C 12.982 2.153 1.251 1.00 . A A . 8 LYS CA 1 1 10 2726 1 1 8 LYS CB C 12.172 3.025 2.209 1.00 . A A . 8 LYS CB 1 1 10 2727 1 1 8 LYS CD C 11.116 5.270 2.524 1.00 . A A . 8 LYS CD 1 1 10 2728 1 1 8 LYS CE C 10.970 6.676 1.936 1.00 . A A . 8 LYS CE 1 1 10 2729 1 1 8 LYS CG C 11.949 4.401 1.576 1.00 . A A . 8 LYS CG 1 1 10 2730 1 1 8 LYS H H 11.128 1.838 0.200 1.00 . A A . 8 LYS H 1 1 10 2731 1 1 8 LYS HA H 13.743 2.751 0.781 1.00 . A A . 8 LYS HA 1 1 10 2732 1 1 8 LYS HB2 H 11.218 2.555 2.401 1.00 . A A . 8 LYS HB2 1 1 10 2733 1 1 8 LYS HB3 H 12.712 3.139 3.136 1.00 . A A . 8 LYS HB3 1 1 10 2734 1 1 8 LYS HD2 H 10.140 4.825 2.647 1.00 . A A . 8 LYS HD2 1 1 10 2735 1 1 8 LYS HD3 H 11.609 5.330 3.483 1.00 . A A . 8 LYS HD3 1 1 10 2736 1 1 8 LYS HE2 H 11.951 7.113 1.798 1.00 . A A . 8 LYS HE2 1 1 10 2737 1 1 8 LYS HE3 H 10.466 6.618 0.981 1.00 . A A . 8 LYS HE3 1 1 10 2738 1 1 8 LYS HG2 H 12.906 4.874 1.398 1.00 . A A . 8 LYS HG2 1 1 10 2739 1 1 8 LYS HG3 H 11.423 4.287 0.639 1.00 . A A . 8 LYS HG3 1 1 10 2740 1 1 8 LYS HZ1 H 10.577 8.482 2.910 1.00 . A A . 8 LYS HZ1 1 1 10 2741 1 1 8 LYS HZ2 H 10.189 7.104 3.825 1.00 . A A . 8 LYS HZ2 1 1 10 2742 1 1 8 LYS HZ3 H 9.189 7.580 2.538 1.00 . A A . 8 LYS HZ3 1 1 10 2743 1 1 8 LYS N N 12.076 1.583 0.214 1.00 . A A . 8 LYS N 1 1 10 2744 1 1 8 LYS NZ N 10.171 7.524 2.873 1.00 . A A . 8 LYS NZ 1 1 10 2745 1 1 8 LYS O O 14.825 0.993 2.265 1.00 . A A . 8 LYS O 1 1 10 2746 1 1 9 ALA C C 14.566 -1.769 2.372 1.00 . A A . 9 ALA C 1 1 10 2747 1 1 9 ALA CA C 13.402 -1.140 3.152 1.00 . A A . 9 ALA CA 1 1 10 2748 1 1 9 ALA CB C 12.296 -2.182 3.350 1.00 . A A . 9 ALA CB 1 1 10 2749 1 1 9 ALA H H 11.885 0.059 2.187 1.00 . A A . 9 ALA H 1 1 10 2750 1 1 9 ALA HA H 13.758 -0.808 4.117 1.00 . A A . 9 ALA HA 1 1 10 2751 1 1 9 ALA HB1 H 12.596 -2.886 4.112 1.00 . A A . 9 ALA HB1 1 1 10 2752 1 1 9 ALA HB2 H 12.124 -2.707 2.422 1.00 . A A . 9 ALA HB2 1 1 10 2753 1 1 9 ALA HB3 H 11.386 -1.686 3.657 1.00 . A A . 9 ALA HB3 1 1 10 2754 1 1 9 ALA N N 12.849 0.025 2.401 1.00 . A A . 9 ALA N 1 1 10 2755 1 1 9 ALA O O 15.630 -2.003 2.917 1.00 . A A . 9 ALA O 1 1 10 2756 1 1 10 CGU C C 16.565 -1.627 0.020 1.00 . A A . 10 CGU C 1 1 10 2757 1 1 10 CGU CA C 15.481 -2.675 0.326 1.00 . A A . 10 CGU CA 1 1 10 2758 1 1 10 CGU CB C 14.921 -3.266 -0.983 1.00 . A A . 10 CGU CB 1 1 10 2759 1 1 10 CGU CD1 C 15.616 -3.535 -3.413 1.00 . A A . 10 CGU CD1 1 1 10 2760 1 1 10 CGU CD2 C 16.796 -4.828 -1.646 1.00 . A A . 10 CGU CD2 1 1 10 2761 1 1 10 CGU CG C 16.086 -3.497 -1.951 1.00 . A A . 10 CGU CG 1 1 10 2762 1 1 10 CGU H H 13.522 -1.867 0.676 1.00 . A A . 10 CGU H 1 1 10 2763 1 1 10 CGU HA H 15.920 -3.470 0.910 1.00 . A A . 10 CGU HA 1 1 10 2764 1 1 10 CGU HB2 H 14.214 -2.579 -1.424 1.00 . A A . 10 CGU HB2 1 1 10 2765 1 1 10 CGU HB3 H 14.428 -4.204 -0.773 1.00 . A A . 10 CGU HB3 1 1 10 2766 1 1 10 CGU HG H 16.778 -2.688 -1.830 1.00 . A A . 10 CGU HG 1 1 10 2767 1 1 10 CGU N N 14.380 -2.055 1.107 1.00 . A A . 10 CGU N 1 1 10 2768 1 1 10 CGU O O 17.744 -1.890 0.163 1.00 . A A . 10 CGU O 1 1 10 2769 1 1 10 CGU OE11 O 14.421 -3.583 -3.644 1.00 . A A . 10 CGU OE11 1 1 10 2770 1 1 10 CGU OE12 O 16.484 -3.529 -4.282 1.00 . A A . 10 CGU OE12 1 1 10 2771 1 1 10 CGU OE21 O 17.530 -5.296 -2.514 1.00 . A A . 10 CGU OE21 1 1 10 2772 1 1 10 CGU OE22 O 16.608 -5.356 -0.562 1.00 . A A . 10 CGU OE22 1 1 10 2773 1 1 11 PHE C C 18.023 0.867 0.561 1.00 . A A . 11 PHE C 1 1 10 2774 1 1 11 PHE CA C 17.210 0.604 -0.701 1.00 . A A . 11 PHE CA 1 1 10 2775 1 1 11 PHE CB C 16.496 1.863 -1.222 1.00 . A A . 11 PHE CB 1 1 10 2776 1 1 11 PHE CD1 C 16.713 3.308 0.838 1.00 . A A . 11 PHE CD1 1 1 10 2777 1 1 11 PHE CD2 C 17.607 4.122 -1.258 1.00 . A A . 11 PHE CD2 1 1 10 2778 1 1 11 PHE CE1 C 17.105 4.492 1.471 1.00 . A A . 11 PHE CE1 1 1 10 2779 1 1 11 PHE CE2 C 18.006 5.305 -0.624 1.00 . A A . 11 PHE CE2 1 1 10 2780 1 1 11 PHE CG C 16.962 3.123 -0.524 1.00 . A A . 11 PHE CG 1 1 10 2781 1 1 11 PHE CZ C 17.752 5.492 0.738 1.00 . A A . 11 PHE CZ 1 1 10 2782 1 1 11 PHE H H 15.233 -0.234 -0.495 1.00 . A A . 11 PHE H 1 1 10 2783 1 1 11 PHE HA H 17.879 0.244 -1.465 1.00 . A A . 11 PHE HA 1 1 10 2784 1 1 11 PHE HB2 H 16.690 1.961 -2.279 1.00 . A A . 11 PHE HB2 1 1 10 2785 1 1 11 PHE HB3 H 15.434 1.748 -1.078 1.00 . A A . 11 PHE HB3 1 1 10 2786 1 1 11 PHE HD1 H 16.223 2.534 1.402 1.00 . A A . 11 PHE HD1 1 1 10 2787 1 1 11 PHE HD2 H 17.817 3.971 -2.311 1.00 . A A . 11 PHE HD2 1 1 10 2788 1 1 11 PHE HE1 H 16.912 4.633 2.524 1.00 . A A . 11 PHE HE1 1 1 10 2789 1 1 11 PHE HE2 H 18.504 6.079 -1.190 1.00 . A A . 11 PHE HE2 1 1 10 2790 1 1 11 PHE HZ H 18.057 6.406 1.225 1.00 . A A . 11 PHE HZ 1 1 10 2791 1 1 11 PHE N N 16.187 -0.441 -0.395 1.00 . A A . 11 PHE N 1 1 10 2792 1 1 11 PHE O O 19.215 1.093 0.504 1.00 . A A . 11 PHE O 1 1 10 2793 1 1 12 ALA C C 19.266 -0.033 3.052 1.00 . A A . 12 ALA C 1 1 10 2794 1 1 12 ALA CA C 18.151 1.011 2.963 1.00 . A A . 12 ALA CA 1 1 10 2795 1 1 12 ALA CB C 17.201 0.860 4.153 1.00 . A A . 12 ALA CB 1 1 10 2796 1 1 12 ALA H H 16.440 0.583 1.730 1.00 . A A . 12 ALA H 1 1 10 2797 1 1 12 ALA HA H 18.584 2.002 2.965 1.00 . A A . 12 ALA HA 1 1 10 2798 1 1 12 ALA HB1 H 17.768 0.885 5.073 1.00 . A A . 12 ALA HB1 1 1 10 2799 1 1 12 ALA HB2 H 16.676 -0.081 4.078 1.00 . A A . 12 ALA HB2 1 1 10 2800 1 1 12 ALA HB3 H 16.486 1.671 4.149 1.00 . A A . 12 ALA HB3 1 1 10 2801 1 1 12 ALA N N 17.400 0.797 1.703 1.00 . A A . 12 ALA N 1 1 10 2802 1 1 12 ALA O O 20.380 0.270 3.415 1.00 . A A . 12 ALA O 1 1 10 2803 1 1 13 ARG C C 21.186 -1.973 1.839 1.00 . A A . 13 ARG C 1 1 10 2804 1 1 13 ARG CA C 20.019 -2.323 2.775 1.00 . A A . 13 ARG CA 1 1 10 2805 1 1 13 ARG CB C 19.404 -3.663 2.356 1.00 . A A . 13 ARG CB 1 1 10 2806 1 1 13 ARG CD C 17.591 -5.324 2.839 1.00 . A A . 13 ARG CD 1 1 10 2807 1 1 13 ARG CG C 18.262 -4.031 3.311 1.00 . A A . 13 ARG CG 1 1 10 2808 1 1 13 ARG CZ C 18.764 -6.882 4.276 1.00 . A A . 13 ARG CZ 1 1 10 2809 1 1 13 ARG H H 18.063 -1.482 2.405 1.00 . A A . 13 ARG H 1 1 10 2810 1 1 13 ARG HA H 20.388 -2.401 3.788 1.00 . A A . 13 ARG HA 1 1 10 2811 1 1 13 ARG HB2 H 19.016 -3.581 1.352 1.00 . A A . 13 ARG HB2 1 1 10 2812 1 1 13 ARG HB3 H 20.160 -4.435 2.388 1.00 . A A . 13 ARG HB3 1 1 10 2813 1 1 13 ARG HD2 H 16.672 -5.474 3.389 1.00 . A A . 13 ARG HD2 1 1 10 2814 1 1 13 ARG HD3 H 17.367 -5.246 1.783 1.00 . A A . 13 ARG HD3 1 1 10 2815 1 1 13 ARG HE H 18.915 -6.945 2.308 1.00 . A A . 13 ARG HE 1 1 10 2816 1 1 13 ARG HG2 H 18.655 -4.169 4.307 1.00 . A A . 13 ARG HG2 1 1 10 2817 1 1 13 ARG HG3 H 17.534 -3.234 3.323 1.00 . A A . 13 ARG HG3 1 1 10 2818 1 1 13 ARG HH11 H 17.494 -8.404 4.185 1.00 . A A . 13 ARG HH11 1 1 10 2819 1 1 13 ARG HH12 H 18.348 -8.230 5.678 1.00 . A A . 13 ARG HH12 1 1 10 2820 1 1 13 ARG HH21 H 20.091 -5.448 4.625 1.00 . A A . 13 ARG HH21 1 1 10 2821 1 1 13 ARG HH22 H 19.821 -6.552 5.930 1.00 . A A . 13 ARG HH22 1 1 10 2822 1 1 13 ARG N N 18.973 -1.259 2.711 1.00 . A A . 13 ARG N 1 1 10 2823 1 1 13 ARG NE N 18.508 -6.482 3.070 1.00 . A A . 13 ARG NE 1 1 10 2824 1 1 13 ARG NH1 N 18.157 -7.919 4.751 1.00 . A A . 13 ARG NH1 1 1 10 2825 1 1 13 ARG NH2 N 19.625 -6.246 5.000 1.00 . A A . 13 ARG NH2 1 1 10 2826 1 1 13 ARG O O 22.309 -1.790 2.273 1.00 . A A . 13 ARG O 1 1 10 2827 1 1 14 CGU C C 22.639 -0.203 -0.117 1.00 . A A . 14 CGU C 1 1 10 2828 1 1 14 CGU CA C 22.015 -1.575 -0.410 1.00 . A A . 14 CGU CA 1 1 10 2829 1 1 14 CGU CB C 21.429 -1.586 -1.827 1.00 . A A . 14 CGU CB 1 1 10 2830 1 1 14 CGU CD1 C 19.666 -3.342 -1.831 1.00 . A A . 14 CGU CD1 1 1 10 2831 1 1 14 CGU CD2 C 21.245 -3.228 -3.750 1.00 . A A . 14 CGU CD2 1 1 10 2832 1 1 14 CGU CG C 21.105 -3.032 -2.226 1.00 . A A . 14 CGU CG 1 1 10 2833 1 1 14 CGU H H 20.024 -2.059 0.231 1.00 . A A . 14 CGU H 1 1 10 2834 1 1 14 CGU HA H 22.784 -2.331 -0.342 1.00 . A A . 14 CGU HA 1 1 10 2835 1 1 14 CGU HB2 H 22.138 -1.169 -2.516 1.00 . A A . 14 CGU HB2 1 1 10 2836 1 1 14 CGU HB3 H 20.520 -0.998 -1.845 1.00 . A A . 14 CGU HB3 1 1 10 2837 1 1 14 CGU HG H 21.772 -3.704 -1.710 1.00 . A A . 14 CGU HG 1 1 10 2838 1 1 14 CGU N N 20.931 -1.894 0.560 1.00 . A A . 14 CGU N 1 1 10 2839 1 1 14 CGU O O 23.833 -0.027 -0.249 1.00 . A A . 14 CGU O 1 1 10 2840 1 1 14 CGU OE11 O 18.778 -2.869 -2.519 1.00 . A A . 14 CGU OE11 1 1 10 2841 1 1 14 CGU OE12 O 19.477 -4.052 -0.864 1.00 . A A . 14 CGU OE12 1 1 10 2842 1 1 14 CGU OE21 O 20.357 -3.842 -4.343 1.00 . A A . 14 CGU OE21 1 1 10 2843 1 1 14 CGU OE22 O 22.234 -2.773 -4.298 1.00 . A A . 14 CGU OE22 1 1 10 2844 1 1 15 LEU C C 22.987 2.244 1.936 1.00 . A A . 15 LEU C 1 1 10 2845 1 1 15 LEU CA C 22.431 2.130 0.505 1.00 . A A . 15 LEU CA 1 1 10 2846 1 1 15 LEU CB C 21.352 3.189 0.235 1.00 . A A . 15 LEU CB 1 1 10 2847 1 1 15 LEU CD1 C 20.247 2.324 -1.848 1.00 . A A . 15 LEU CD1 1 1 10 2848 1 1 15 LEU CD2 C 20.653 4.769 -1.574 1.00 . A A . 15 LEU CD2 1 1 10 2849 1 1 15 LEU CG C 21.203 3.376 -1.284 1.00 . A A . 15 LEU CG 1 1 10 2850 1 1 15 LEU H H 20.885 0.638 0.332 1.00 . A A . 15 LEU H 1 1 10 2851 1 1 15 LEU HA H 23.253 2.285 -0.178 1.00 . A A . 15 LEU HA 1 1 10 2852 1 1 15 LEU HB2 H 20.408 2.863 0.652 1.00 . A A . 15 LEU HB2 1 1 10 2853 1 1 15 LEU HB3 H 21.637 4.127 0.684 1.00 . A A . 15 LEU HB3 1 1 10 2854 1 1 15 LEU HD11 H 20.674 1.342 -1.714 1.00 . A A . 15 LEU HD11 1 1 10 2855 1 1 15 LEU HD12 H 20.092 2.507 -2.900 1.00 . A A . 15 LEU HD12 1 1 10 2856 1 1 15 LEU HD13 H 19.305 2.381 -1.330 1.00 . A A . 15 LEU HD13 1 1 10 2857 1 1 15 LEU HD21 H 20.346 5.234 -0.649 1.00 . A A . 15 LEU HD21 1 1 10 2858 1 1 15 LEU HD22 H 19.806 4.690 -2.239 1.00 . A A . 15 LEU HD22 1 1 10 2859 1 1 15 LEU HD23 H 21.420 5.368 -2.039 1.00 . A A . 15 LEU HD23 1 1 10 2860 1 1 15 LEU HG H 22.163 3.265 -1.759 1.00 . A A . 15 LEU HG 1 1 10 2861 1 1 15 LEU N N 21.853 0.778 0.249 1.00 . A A . 15 LEU N 1 1 10 2862 1 1 15 LEU O O 24.048 2.805 2.138 1.00 . A A . 15 LEU O 1 1 10 2863 1 1 16 ALA C C 24.206 1.027 4.359 1.00 . A A . 16 ALA C 1 1 10 2864 1 1 16 ALA CA C 22.884 1.798 4.315 1.00 . A A . 16 ALA CA 1 1 10 2865 1 1 16 ALA CB C 21.903 1.196 5.326 1.00 . A A . 16 ALA CB 1 1 10 2866 1 1 16 ALA H H 21.473 1.230 2.766 1.00 . A A . 16 ALA H 1 1 10 2867 1 1 16 ALA HA H 23.068 2.835 4.561 1.00 . A A . 16 ALA HA 1 1 10 2868 1 1 16 ALA HB1 H 20.928 1.642 5.193 1.00 . A A . 16 ALA HB1 1 1 10 2869 1 1 16 ALA HB2 H 22.254 1.392 6.328 1.00 . A A . 16 ALA HB2 1 1 10 2870 1 1 16 ALA HB3 H 21.835 0.129 5.171 1.00 . A A . 16 ALA HB3 1 1 10 2871 1 1 16 ALA N N 22.322 1.706 2.928 1.00 . A A . 16 ALA N 1 1 10 2872 1 1 16 ALA O O 25.091 1.329 5.133 1.00 . A A . 16 ALA O 1 1 10 2873 1 1 17 ASN C C 26.571 -0.105 2.469 1.00 . A A . 17 ASN C 1 1 10 2874 1 1 17 ASN CA C 25.614 -0.752 3.481 1.00 . A A . 17 ASN CA 1 1 10 2875 1 1 17 ASN CB C 25.314 -2.204 3.066 1.00 . A A . 17 ASN CB 1 1 10 2876 1 1 17 ASN CG C 26.519 -3.106 3.354 1.00 . A A . 17 ASN CG 1 1 10 2877 1 1 17 ASN H H 23.614 -0.168 2.888 1.00 . A A . 17 ASN H 1 1 10 2878 1 1 17 ASN HA H 26.071 -0.741 4.461 1.00 . A A . 17 ASN HA 1 1 10 2879 1 1 17 ASN HB2 H 24.466 -2.574 3.626 1.00 . A A . 17 ASN HB2 1 1 10 2880 1 1 17 ASN HB3 H 25.090 -2.237 2.011 1.00 . A A . 17 ASN HB3 1 1 10 2881 1 1 17 ASN HD21 H 27.869 -1.756 2.788 1.00 . A A . 17 ASN HD21 1 1 10 2882 1 1 17 ASN HD22 H 28.494 -3.256 3.322 1.00 . A A . 17 ASN HD22 1 1 10 2883 1 1 17 ASN N N 24.344 0.040 3.514 1.00 . A A . 17 ASN N 1 1 10 2884 1 1 17 ASN ND2 N 27.727 -2.671 3.139 1.00 . A A . 17 ASN ND2 1 1 10 2885 1 1 17 ASN O O 27.740 -0.429 2.410 1.00 . A A . 17 ASN O 1 1 10 2886 1 1 17 ASN OD1 O 26.357 -4.229 3.778 1.00 . A A . 17 ASN OD1 1 1 10 2887 1 1 18 TYR C C 27.852 2.514 1.370 1.00 . A A . 18 TYR C 1 1 10 2888 1 1 18 TYR CA C 26.948 1.488 0.669 1.00 . A A . 18 TYR CA 1 1 10 2889 1 1 18 TYR CB C 26.065 2.194 -0.369 1.00 . A A . 18 TYR CB 1 1 10 2890 1 1 18 TYR CD1 C 27.872 2.586 -2.091 1.00 . A A . 18 TYR CD1 1 1 10 2891 1 1 18 TYR CD2 C 26.733 4.504 -1.138 1.00 . A A . 18 TYR CD2 1 1 10 2892 1 1 18 TYR CE1 C 28.655 3.443 -2.876 1.00 . A A . 18 TYR CE1 1 1 10 2893 1 1 18 TYR CE2 C 27.517 5.359 -1.924 1.00 . A A . 18 TYR CE2 1 1 10 2894 1 1 18 TYR CG C 26.911 3.117 -1.221 1.00 . A A . 18 TYR CG 1 1 10 2895 1 1 18 TYR CZ C 28.476 4.827 -2.792 1.00 . A A . 18 TYR CZ 1 1 10 2896 1 1 18 TYR H H 25.130 1.055 1.747 1.00 . A A . 18 TYR H 1 1 10 2897 1 1 18 TYR HA H 27.562 0.750 0.174 1.00 . A A . 18 TYR HA 1 1 10 2898 1 1 18 TYR HB2 H 25.593 1.455 -0.999 1.00 . A A . 18 TYR HB2 1 1 10 2899 1 1 18 TYR HB3 H 25.305 2.771 0.141 1.00 . A A . 18 TYR HB3 1 1 10 2900 1 1 18 TYR HD1 H 28.011 1.518 -2.157 1.00 . A A . 18 TYR HD1 1 1 10 2901 1 1 18 TYR HD2 H 25.992 4.916 -0.467 1.00 . A A . 18 TYR HD2 1 1 10 2902 1 1 18 TYR HE1 H 29.396 3.036 -3.548 1.00 . A A . 18 TYR HE1 1 1 10 2903 1 1 18 TYR HE2 H 27.382 6.428 -1.860 1.00 . A A . 18 TYR HE2 1 1 10 2904 1 1 18 TYR HH H 28.770 5.833 -4.384 1.00 . A A . 18 TYR HH 1 1 10 2905 1 1 18 TYR N N 26.077 0.811 1.677 1.00 . A A . 18 TYR N 1 1 10 2906 1 1 18 TYR O O 29.056 2.480 1.233 1.00 . A A . 18 TYR O 1 1 10 2907 1 1 18 TYR OH O 29.245 5.669 -3.567 1.00 . A A . 18 TYR OH 1 1 10 2908 1 1 19 NH2 HN1 H 26.340 3.476 2.236 1.00 . A A . 19 NH2 HN1 1 1 10 2909 1 1 19 NH2 HN2 H 27.898 4.102 2.562 1.00 . A A . 19 NH2 HN2 1 1 10 2910 1 1 19 NH2 N N 27.318 3.440 2.118 1.00 . A A . 19 NH2 N 1 1 11 2911 1 1 1 GLY C C 2.672 2.020 0.927 1.00 . A A . 1 GLY C 1 1 11 2912 1 1 1 GLY CA C 1.724 3.086 0.374 1.00 . A A . 1 GLY CA 1 1 11 2913 1 1 1 GLY H1 H 2.532 4.243 1.909 1.00 . A A . 1 GLY H1 1 1 11 2914 1 1 1 GLY H2 H 1.157 4.926 1.177 1.00 . A A . 1 GLY H2 1 1 11 2915 1 1 1 GLY H3 H 2.659 4.954 0.369 1.00 . A A . 1 GLY H3 1 1 11 2916 1 1 1 GLY HA2 H 0.705 2.808 0.600 1.00 . A A . 1 GLY HA2 1 1 11 2917 1 1 1 GLY HA3 H 1.849 3.158 -0.696 1.00 . A A . 1 GLY HA3 1 1 11 2918 1 1 1 GLY N N 2.039 4.401 1.006 1.00 . A A . 1 GLY N 1 1 11 2919 1 1 1 GLY O O 3.683 2.327 1.528 1.00 . A A . 1 GLY O 1 1 11 2920 1 1 2 GLU C C 4.403 -0.545 0.286 1.00 . A A . 2 GLU C 1 1 11 2921 1 1 2 GLU CA C 3.214 -0.335 1.229 1.00 . A A . 2 GLU CA 1 1 11 2922 1 1 2 GLU CB C 2.391 -1.630 1.329 1.00 . A A . 2 GLU CB 1 1 11 2923 1 1 2 GLU CD C 0.397 -0.943 -0.031 1.00 . A A . 2 GLU CD 1 1 11 2924 1 1 2 GLU CG C 1.611 -1.872 0.027 1.00 . A A . 2 GLU CG 1 1 11 2925 1 1 2 GLU H H 1.522 0.564 0.226 1.00 . A A . 2 GLU H 1 1 11 2926 1 1 2 GLU HA H 3.585 -0.076 2.210 1.00 . A A . 2 GLU HA 1 1 11 2927 1 1 2 GLU HB2 H 3.057 -2.463 1.507 1.00 . A A . 2 GLU HB2 1 1 11 2928 1 1 2 GLU HB3 H 1.695 -1.548 2.152 1.00 . A A . 2 GLU HB3 1 1 11 2929 1 1 2 GLU HG2 H 2.251 -1.679 -0.821 1.00 . A A . 2 GLU HG2 1 1 11 2930 1 1 2 GLU HG3 H 1.274 -2.897 -0.004 1.00 . A A . 2 GLU HG3 1 1 11 2931 1 1 2 GLU N N 2.350 0.775 0.724 1.00 . A A . 2 GLU N 1 1 11 2932 1 1 2 GLU O O 5.397 -1.141 0.650 1.00 . A A . 2 GLU O 1 1 11 2933 1 1 2 GLU OE1 O -0.609 -1.275 0.567 1.00 . A A . 2 GLU OE1 1 1 11 2934 1 1 2 GLU OE2 O 0.511 0.104 -0.654 1.00 . A A . 2 GLU OE2 1 1 11 2935 1 1 3 CGU C C 6.601 0.690 -1.452 1.00 . A A . 3 CGU C 1 1 11 2936 1 1 3 CGU CA C 5.452 -0.235 -1.874 1.00 . A A . 3 CGU CA 1 1 11 2937 1 1 3 CGU CB C 4.997 0.129 -3.307 1.00 . A A . 3 CGU CB 1 1 11 2938 1 1 3 CGU CD1 C 6.742 -1.407 -4.310 1.00 . A A . 3 CGU CD1 1 1 11 2939 1 1 3 CGU CD2 C 5.807 0.424 -5.692 1.00 . A A . 3 CGU CD2 1 1 11 2940 1 1 3 CGU CG C 6.199 0.027 -4.262 1.00 . A A . 3 CGU CG 1 1 11 2941 1 1 3 CGU H H 3.508 0.417 -1.202 1.00 . A A . 3 CGU H 1 1 11 2942 1 1 3 CGU HA H 5.802 -1.264 -1.837 1.00 . A A . 3 CGU HA 1 1 11 2943 1 1 3 CGU HB2 H 4.627 1.144 -3.313 1.00 . A A . 3 CGU HB2 1 1 11 2944 1 1 3 CGU HB3 H 4.205 -0.541 -3.640 1.00 . A A . 3 CGU HB3 1 1 11 2945 1 1 3 CGU HG H 6.977 0.688 -3.916 1.00 . A A . 3 CGU HG 1 1 11 2946 1 1 3 CGU N N 4.316 -0.062 -0.923 1.00 . A A . 3 CGU N 1 1 11 2947 1 1 3 CGU O O 7.762 0.350 -1.581 1.00 . A A . 3 CGU O 1 1 11 2948 1 1 3 CGU OE11 O 7.892 -1.560 -4.692 1.00 . A A . 3 CGU OE11 1 1 11 2949 1 1 3 CGU OE12 O 6.003 -2.323 -3.992 1.00 . A A . 3 CGU OE12 1 1 11 2950 1 1 3 CGU OE21 O 4.722 0.948 -5.879 1.00 . A A . 3 CGU OE21 1 1 11 2951 1 1 3 CGU OE22 O 6.619 0.190 -6.583 1.00 . A A . 3 CGU OE22 1 1 11 2952 1 1 4 CGU C C 8.263 2.157 0.507 1.00 . A A . 4 CGU C 1 1 11 2953 1 1 4 CGU CA C 7.347 2.810 -0.530 1.00 . A A . 4 CGU CA 1 1 11 2954 1 1 4 CGU CB C 6.699 4.039 0.096 1.00 . A A . 4 CGU CB 1 1 11 2955 1 1 4 CGU CD1 C 6.208 6.366 -0.728 1.00 . A A . 4 CGU CD1 1 1 11 2956 1 1 4 CGU CD2 C 4.493 4.553 -0.954 1.00 . A A . 4 CGU CD2 1 1 11 2957 1 1 4 CGU CG C 5.994 4.865 -0.987 1.00 . A A . 4 CGU CG 1 1 11 2958 1 1 4 CGU H H 5.343 2.114 -0.865 1.00 . A A . 4 CGU H 1 1 11 2959 1 1 4 CGU HA H 7.926 3.109 -1.392 1.00 . A A . 4 CGU HA 1 1 11 2960 1 1 4 CGU HB2 H 7.460 4.636 0.569 1.00 . A A . 4 CGU HB2 1 1 11 2961 1 1 4 CGU HB3 H 5.975 3.723 0.836 1.00 . A A . 4 CGU HB3 1 1 11 2962 1 1 4 CGU HG H 6.393 4.607 -1.961 1.00 . A A . 4 CGU HG 1 1 11 2963 1 1 4 CGU N N 6.284 1.858 -0.955 1.00 . A A . 4 CGU N 1 1 11 2964 1 1 4 CGU O O 9.457 2.038 0.307 1.00 . A A . 4 CGU O 1 1 11 2965 1 1 4 CGU OE11 O 6.074 7.133 -1.665 1.00 . A A . 4 CGU OE11 1 1 11 2966 1 1 4 CGU OE12 O 6.509 6.722 0.404 1.00 . A A . 4 CGU OE12 1 1 11 2967 1 1 4 CGU OE21 O 4.122 3.482 -1.408 1.00 . A A . 4 CGU OE21 1 1 11 2968 1 1 4 CGU OE22 O 3.739 5.377 -0.461 1.00 . A A . 4 CGU OE22 1 1 11 2969 1 1 5 LEU C C 9.357 -0.035 2.074 1.00 . A A . 5 LEU C 1 1 11 2970 1 1 5 LEU CA C 8.543 1.107 2.678 1.00 . A A . 5 LEU CA 1 1 11 2971 1 1 5 LEU CB C 7.633 0.609 3.805 1.00 . A A . 5 LEU CB 1 1 11 2972 1 1 5 LEU CD1 C 7.573 -1.855 3.463 1.00 . A A . 5 LEU CD1 1 1 11 2973 1 1 5 LEU CD2 C 5.520 -0.654 4.202 1.00 . A A . 5 LEU CD2 1 1 11 2974 1 1 5 LEU CG C 6.775 -0.561 3.333 1.00 . A A . 5 LEU CG 1 1 11 2975 1 1 5 LEU H H 6.749 1.854 1.763 1.00 . A A . 5 LEU H 1 1 11 2976 1 1 5 LEU HA H 9.222 1.830 3.080 1.00 . A A . 5 LEU HA 1 1 11 2977 1 1 5 LEU HB2 H 8.245 0.288 4.626 1.00 . A A . 5 LEU HB2 1 1 11 2978 1 1 5 LEU HB3 H 6.992 1.416 4.130 1.00 . A A . 5 LEU HB3 1 1 11 2979 1 1 5 LEU HD11 H 8.600 -1.624 3.706 1.00 . A A . 5 LEU HD11 1 1 11 2980 1 1 5 LEU HD12 H 7.537 -2.393 2.528 1.00 . A A . 5 LEU HD12 1 1 11 2981 1 1 5 LEU HD13 H 7.147 -2.462 4.245 1.00 . A A . 5 LEU HD13 1 1 11 2982 1 1 5 LEU HD21 H 4.871 -1.425 3.813 1.00 . A A . 5 LEU HD21 1 1 11 2983 1 1 5 LEU HD22 H 5.002 0.293 4.191 1.00 . A A . 5 LEU HD22 1 1 11 2984 1 1 5 LEU HD23 H 5.802 -0.899 5.216 1.00 . A A . 5 LEU HD23 1 1 11 2985 1 1 5 LEU HG H 6.493 -0.409 2.304 1.00 . A A . 5 LEU HG 1 1 11 2986 1 1 5 LEU N N 7.711 1.742 1.621 1.00 . A A . 5 LEU N 1 1 11 2987 1 1 5 LEU O O 10.546 -0.144 2.297 1.00 . A A . 5 LEU O 1 1 11 2988 1 1 6 ALA C C 10.675 -1.453 -0.102 1.00 . A A . 6 ALA C 1 1 11 2989 1 1 6 ALA CA C 9.464 -2.004 0.661 1.00 . A A . 6 ALA CA 1 1 11 2990 1 1 6 ALA CB C 8.524 -2.730 -0.309 1.00 . A A . 6 ALA CB 1 1 11 2991 1 1 6 ALA H H 7.775 -0.751 1.137 1.00 . A A . 6 ALA H 1 1 11 2992 1 1 6 ALA HA H 9.802 -2.693 1.422 1.00 . A A . 6 ALA HA 1 1 11 2993 1 1 6 ALA HB1 H 8.479 -2.186 -1.243 1.00 . A A . 6 ALA HB1 1 1 11 2994 1 1 6 ALA HB2 H 7.535 -2.785 0.122 1.00 . A A . 6 ALA HB2 1 1 11 2995 1 1 6 ALA HB3 H 8.894 -3.728 -0.491 1.00 . A A . 6 ALA HB3 1 1 11 2996 1 1 6 ALA N N 8.731 -0.873 1.301 1.00 . A A . 6 ALA N 1 1 11 2997 1 1 6 ALA O O 11.792 -1.908 0.068 1.00 . A A . 6 ALA O 1 1 11 2998 1 1 7 CGU C C 12.549 0.820 -0.720 1.00 . A A . 7 CGU C 1 1 11 2999 1 1 7 CGU CA C 11.586 0.137 -1.695 1.00 . A A . 7 CGU CA 1 1 11 3000 1 1 7 CGU CB C 11.027 1.173 -2.667 1.00 . A A . 7 CGU CB 1 1 11 3001 1 1 7 CGU CD1 C 9.168 1.510 -4.338 1.00 . A A . 7 CGU CD1 1 1 11 3002 1 1 7 CGU CD2 C 10.951 -0.186 -4.803 1.00 . A A . 7 CGU CD2 1 1 11 3003 1 1 7 CGU CG C 10.108 0.477 -3.694 1.00 . A A . 7 CGU CG 1 1 11 3004 1 1 7 CGU H H 9.554 -0.104 -1.039 1.00 . A A . 7 CGU H 1 1 11 3005 1 1 7 CGU HA H 12.105 -0.636 -2.244 1.00 . A A . 7 CGU HA 1 1 11 3006 1 1 7 CGU HB2 H 11.843 1.649 -3.184 1.00 . A A . 7 CGU HB2 1 1 11 3007 1 1 7 CGU HB3 H 10.468 1.923 -2.114 1.00 . A A . 7 CGU HB3 1 1 11 3008 1 1 7 CGU HG H 9.516 -0.286 -3.201 1.00 . A A . 7 CGU HG 1 1 11 3009 1 1 7 CGU N N 10.460 -0.462 -0.928 1.00 . A A . 7 CGU N 1 1 11 3010 1 1 7 CGU O O 13.745 0.587 -0.738 1.00 . A A . 7 CGU O 1 1 11 3011 1 1 7 CGU OE11 O 8.756 2.426 -3.647 1.00 . A A . 7 CGU OE11 1 1 11 3012 1 1 7 CGU OE12 O 8.859 1.354 -5.511 1.00 . A A . 7 CGU OE12 1 1 11 3013 1 1 7 CGU OE21 O 10.360 -0.835 -5.658 1.00 . A A . 7 CGU OE21 1 1 11 3014 1 1 7 CGU OE22 O 12.161 -0.036 -4.788 1.00 . A A . 7 CGU OE22 1 1 11 3015 1 1 8 LYS C C 13.642 1.323 1.968 1.00 . A A . 8 LYS C 1 1 11 3016 1 1 8 LYS CA C 12.881 2.361 1.136 1.00 . A A . 8 LYS CA 1 1 11 3017 1 1 8 LYS CB C 11.987 3.205 2.046 1.00 . A A . 8 LYS CB 1 1 11 3018 1 1 8 LYS CD C 10.178 4.946 1.925 1.00 . A A . 8 LYS CD 1 1 11 3019 1 1 8 LYS CE C 9.661 6.160 1.146 1.00 . A A . 8 LYS CE 1 1 11 3020 1 1 8 LYS CG C 11.453 4.412 1.260 1.00 . A A . 8 LYS CG 1 1 11 3021 1 1 8 LYS H H 11.055 1.811 0.137 1.00 . A A . 8 LYS H 1 1 11 3022 1 1 8 LYS HA H 13.581 3.005 0.627 1.00 . A A . 8 LYS HA 1 1 11 3023 1 1 8 LYS HB2 H 11.160 2.603 2.393 1.00 . A A . 8 LYS HB2 1 1 11 3024 1 1 8 LYS HB3 H 12.562 3.552 2.891 1.00 . A A . 8 LYS HB3 1 1 11 3025 1 1 8 LYS HD2 H 9.424 4.170 1.927 1.00 . A A . 8 LYS HD2 1 1 11 3026 1 1 8 LYS HD3 H 10.396 5.238 2.941 1.00 . A A . 8 LYS HD3 1 1 11 3027 1 1 8 LYS HE2 H 10.436 6.913 1.097 1.00 . A A . 8 LYS HE2 1 1 11 3028 1 1 8 LYS HE3 H 9.392 5.856 0.143 1.00 . A A . 8 LYS HE3 1 1 11 3029 1 1 8 LYS HG2 H 12.205 5.191 1.248 1.00 . A A . 8 LYS HG2 1 1 11 3030 1 1 8 LYS HG3 H 11.231 4.112 0.247 1.00 . A A . 8 LYS HG3 1 1 11 3031 1 1 8 LYS HZ1 H 8.257 6.163 2.690 1.00 . A A . 8 LYS HZ1 1 1 11 3032 1 1 8 LYS HZ2 H 7.628 6.687 1.189 1.00 . A A . 8 LYS HZ2 1 1 11 3033 1 1 8 LYS HZ3 H 8.645 7.707 2.107 1.00 . A A . 8 LYS HZ3 1 1 11 3034 1 1 8 LYS N N 12.024 1.656 0.140 1.00 . A A . 8 LYS N 1 1 11 3035 1 1 8 LYS NZ N 8.462 6.720 1.837 1.00 . A A . 8 LYS NZ 1 1 11 3036 1 1 8 LYS O O 14.833 1.446 2.204 1.00 . A A . 8 LYS O 1 1 11 3037 1 1 9 ALA C C 14.733 -1.433 2.403 1.00 . A A . 9 ALA C 1 1 11 3038 1 1 9 ALA CA C 13.622 -0.761 3.217 1.00 . A A . 9 ALA CA 1 1 11 3039 1 1 9 ALA CB C 12.585 -1.809 3.632 1.00 . A A . 9 ALA CB 1 1 11 3040 1 1 9 ALA H H 11.996 0.222 2.194 1.00 . A A . 9 ALA H 1 1 11 3041 1 1 9 ALA HA H 14.052 -0.314 4.103 1.00 . A A . 9 ALA HA 1 1 11 3042 1 1 9 ALA HB1 H 12.291 -2.388 2.769 1.00 . A A . 9 ALA HB1 1 1 11 3043 1 1 9 ALA HB2 H 11.718 -1.313 4.045 1.00 . A A . 9 ALA HB2 1 1 11 3044 1 1 9 ALA HB3 H 13.013 -2.464 4.376 1.00 . A A . 9 ALA HB3 1 1 11 3045 1 1 9 ALA N N 12.959 0.297 2.403 1.00 . A A . 9 ALA N 1 1 11 3046 1 1 9 ALA O O 15.843 -1.592 2.877 1.00 . A A . 9 ALA O 1 1 11 3047 1 1 10 CGU C C 16.621 -1.469 0.051 1.00 . A A . 10 CGU C 1 1 11 3048 1 1 10 CGU CA C 15.520 -2.492 0.384 1.00 . A A . 10 CGU CA 1 1 11 3049 1 1 10 CGU CB C 14.925 -3.081 -0.909 1.00 . A A . 10 CGU CB 1 1 11 3050 1 1 10 CGU CD1 C 15.640 -3.425 -3.328 1.00 . A A . 10 CGU CD1 1 1 11 3051 1 1 10 CGU CD2 C 16.716 -4.760 -1.527 1.00 . A A . 10 CGU CD2 1 1 11 3052 1 1 10 CGU CG C 16.082 -3.396 -1.859 1.00 . A A . 10 CGU CG 1 1 11 3053 1 1 10 CGU H H 13.569 -1.705 0.802 1.00 . A A . 10 CGU H 1 1 11 3054 1 1 10 CGU HA H 15.954 -3.291 0.969 1.00 . A A . 10 CGU HA 1 1 11 3055 1 1 10 CGU HB2 H 14.259 -2.370 -1.370 1.00 . A A . 10 CGU HB2 1 1 11 3056 1 1 10 CGU HB3 H 14.382 -3.988 -0.678 1.00 . A A . 10 CGU HB3 1 1 11 3057 1 1 10 CGU HG H 16.815 -2.627 -1.734 1.00 . A A . 10 CGU HG 1 1 11 3058 1 1 10 CGU N N 14.460 -1.834 1.184 1.00 . A A . 10 CGU N 1 1 11 3059 1 1 10 CGU O O 17.796 -1.755 0.179 1.00 . A A . 10 CGU O 1 1 11 3060 1 1 10 CGU OE11 O 14.449 -3.392 -3.586 1.00 . A A . 10 CGU OE11 1 1 11 3061 1 1 10 CGU OE12 O 16.526 -3.495 -4.177 1.00 . A A . 10 CGU OE12 1 1 11 3062 1 1 10 CGU OE21 O 16.421 -5.302 -0.477 1.00 . A A . 10 CGU OE21 1 1 11 3063 1 1 10 CGU OE22 O 17.501 -5.234 -2.344 1.00 . A A . 10 CGU OE22 1 1 11 3064 1 1 11 PHE C C 18.130 0.994 0.569 1.00 . A A . 11 PHE C 1 1 11 3065 1 1 11 PHE CA C 17.301 0.747 -0.685 1.00 . A A . 11 PHE CA 1 1 11 3066 1 1 11 PHE CB C 16.580 2.014 -1.181 1.00 . A A . 11 PHE CB 1 1 11 3067 1 1 11 PHE CD1 C 17.354 3.711 0.547 1.00 . A A . 11 PHE CD1 1 1 11 3068 1 1 11 PHE CD2 C 17.819 4.125 -1.798 1.00 . A A . 11 PHE CD2 1 1 11 3069 1 1 11 PHE CE1 C 17.948 4.934 0.880 1.00 . A A . 11 PHE CE1 1 1 11 3070 1 1 11 PHE CE2 C 18.422 5.344 -1.461 1.00 . A A . 11 PHE CE2 1 1 11 3071 1 1 11 PHE CG C 17.285 3.302 -0.794 1.00 . A A . 11 PHE CG 1 1 11 3072 1 1 11 PHE CZ C 18.481 5.750 -0.123 1.00 . A A . 11 PHE CZ 1 1 11 3073 1 1 11 PHE H H 15.308 -0.049 -0.442 1.00 . A A . 11 PHE H 1 1 11 3074 1 1 11 PHE HA H 17.952 0.378 -1.464 1.00 . A A . 11 PHE HA 1 1 11 3075 1 1 11 PHE HB2 H 16.510 1.970 -2.257 1.00 . A A . 11 PHE HB2 1 1 11 3076 1 1 11 PHE HB3 H 15.587 2.022 -0.776 1.00 . A A . 11 PHE HB3 1 1 11 3077 1 1 11 PHE HD1 H 16.957 3.082 1.326 1.00 . A A . 11 PHE HD1 1 1 11 3078 1 1 11 PHE HD2 H 17.793 3.806 -2.828 1.00 . A A . 11 PHE HD2 1 1 11 3079 1 1 11 PHE HE1 H 17.998 5.247 1.913 1.00 . A A . 11 PHE HE1 1 1 11 3080 1 1 11 PHE HE2 H 18.835 5.975 -2.235 1.00 . A A . 11 PHE HE2 1 1 11 3081 1 1 11 PHE HZ H 18.939 6.694 0.136 1.00 . A A . 11 PHE HZ 1 1 11 3082 1 1 11 PHE N N 16.261 -0.278 -0.362 1.00 . A A . 11 PHE N 1 1 11 3083 1 1 11 PHE O O 19.340 1.056 0.518 1.00 . A A . 11 PHE O 1 1 11 3084 1 1 12 ALA C C 19.279 0.173 3.130 1.00 . A A . 12 ALA C 1 1 11 3085 1 1 12 ALA CA C 18.261 1.311 2.954 1.00 . A A . 12 ALA CA 1 1 11 3086 1 1 12 ALA CB C 17.293 1.331 4.140 1.00 . A A . 12 ALA CB 1 1 11 3087 1 1 12 ALA H H 16.515 1.014 1.728 1.00 . A A . 12 ALA H 1 1 11 3088 1 1 12 ALA HA H 18.783 2.256 2.895 1.00 . A A . 12 ALA HA 1 1 11 3089 1 1 12 ALA HB1 H 17.851 1.423 5.060 1.00 . A A . 12 ALA HB1 1 1 11 3090 1 1 12 ALA HB2 H 16.722 0.412 4.155 1.00 . A A . 12 ALA HB2 1 1 11 3091 1 1 12 ALA HB3 H 16.620 2.170 4.041 1.00 . A A . 12 ALA HB3 1 1 11 3092 1 1 12 ALA N N 17.496 1.096 1.701 1.00 . A A . 12 ALA N 1 1 11 3093 1 1 12 ALA O O 20.405 0.396 3.531 1.00 . A A . 12 ALA O 1 1 11 3094 1 1 13 ARG C C 21.050 -1.983 2.061 1.00 . A A . 13 ARG C 1 1 11 3095 1 1 13 ARG CA C 19.833 -2.196 2.968 1.00 . A A . 13 ARG CA 1 1 11 3096 1 1 13 ARG CB C 19.108 -3.492 2.584 1.00 . A A . 13 ARG CB 1 1 11 3097 1 1 13 ARG CD C 21.147 -4.937 2.265 1.00 . A A . 13 ARG CD 1 1 11 3098 1 1 13 ARG CG C 19.885 -4.709 3.107 1.00 . A A . 13 ARG CG 1 1 11 3099 1 1 13 ARG CZ C 23.030 -5.129 3.784 1.00 . A A . 13 ARG CZ 1 1 11 3100 1 1 13 ARG H H 17.978 -1.196 2.487 1.00 . A A . 13 ARG H 1 1 11 3101 1 1 13 ARG HA H 20.163 -2.260 3.995 1.00 . A A . 13 ARG HA 1 1 11 3102 1 1 13 ARG HB2 H 18.117 -3.487 3.016 1.00 . A A . 13 ARG HB2 1 1 11 3103 1 1 13 ARG HB3 H 19.026 -3.553 1.511 1.00 . A A . 13 ARG HB3 1 1 11 3104 1 1 13 ARG HD2 H 21.288 -5.998 2.108 1.00 . A A . 13 ARG HD2 1 1 11 3105 1 1 13 ARG HD3 H 21.038 -4.446 1.307 1.00 . A A . 13 ARG HD3 1 1 11 3106 1 1 13 ARG HE H 22.570 -3.420 2.867 1.00 . A A . 13 ARG HE 1 1 11 3107 1 1 13 ARG HG2 H 20.164 -4.539 4.135 1.00 . A A . 13 ARG HG2 1 1 11 3108 1 1 13 ARG HG3 H 19.255 -5.586 3.049 1.00 . A A . 13 ARG HG3 1 1 11 3109 1 1 13 ARG HH11 H 24.712 -5.016 2.696 1.00 . A A . 13 ARG HH11 1 1 11 3110 1 1 13 ARG HH12 H 24.798 -5.970 4.144 1.00 . A A . 13 ARG HH12 1 1 11 3111 1 1 13 ARG HH21 H 21.523 -5.423 5.043 1.00 . A A . 13 ARG HH21 1 1 11 3112 1 1 13 ARG HH22 H 23.008 -6.205 5.456 1.00 . A A . 13 ARG HH22 1 1 11 3113 1 1 13 ARG N N 18.891 -1.043 2.822 1.00 . A A . 13 ARG N 1 1 11 3114 1 1 13 ARG NE N 22.331 -4.374 2.985 1.00 . A A . 13 ARG NE 1 1 11 3115 1 1 13 ARG NH1 N 24.271 -5.393 3.523 1.00 . A A . 13 ARG NH1 1 1 11 3116 1 1 13 ARG NH2 N 22.479 -5.623 4.843 1.00 . A A . 13 ARG NH2 1 1 11 3117 1 1 13 ARG O O 22.185 -2.020 2.508 1.00 . A A . 13 ARG O 1 1 11 3118 1 1 14 CGU C C 22.591 -0.185 0.118 1.00 . A A . 14 CGU C 1 1 11 3119 1 1 14 CGU CA C 21.964 -1.554 -0.143 1.00 . A A . 14 CGU CA 1 1 11 3120 1 1 14 CGU CB C 21.447 -1.621 -1.581 1.00 . A A . 14 CGU CB 1 1 11 3121 1 1 14 CGU CD1 C 19.597 -3.271 -1.624 1.00 . A A . 14 CGU CD1 1 1 11 3122 1 1 14 CGU CD2 C 21.344 -3.393 -3.382 1.00 . A A . 14 CGU CD2 1 1 11 3123 1 1 14 CGU CG C 21.078 -3.070 -1.900 1.00 . A A . 14 CGU CG 1 1 11 3124 1 1 14 CGU H H 19.911 -1.757 0.446 1.00 . A A . 14 CGU H 1 1 11 3125 1 1 14 CGU HA H 22.707 -2.323 0.009 1.00 . A A . 14 CGU HA 1 1 11 3126 1 1 14 CGU HB2 H 22.206 -1.280 -2.258 1.00 . A A . 14 CGU HB2 1 1 11 3127 1 1 14 CGU HB3 H 20.569 -0.996 -1.679 1.00 . A A . 14 CGU HB3 1 1 11 3128 1 1 14 CGU HG H 21.650 -3.732 -1.271 1.00 . A A . 14 CGU HG 1 1 11 3129 1 1 14 CGU N N 20.827 -1.770 0.790 1.00 . A A . 14 CGU N 1 1 11 3130 1 1 14 CGU O O 23.786 -0.025 0.040 1.00 . A A . 14 CGU O 1 1 11 3131 1 1 14 CGU OE11 O 19.281 -3.954 -0.673 1.00 . A A . 14 CGU OE11 1 1 11 3132 1 1 14 CGU OE12 O 18.804 -2.748 -2.387 1.00 . A A . 14 CGU OE12 1 1 11 3133 1 1 14 CGU OE21 O 22.415 -3.063 -3.859 1.00 . A A . 14 CGU OE21 1 1 11 3134 1 1 14 CGU OE22 O 20.464 -3.978 -4.015 1.00 . A A . 14 CGU OE22 1 1 11 3135 1 1 15 LEU C C 23.127 2.145 2.006 1.00 . A A . 15 LEU C 1 1 11 3136 1 1 15 LEU CA C 22.346 2.158 0.691 1.00 . A A . 15 LEU CA 1 1 11 3137 1 1 15 LEU CB C 21.192 3.153 0.762 1.00 . A A . 15 LEU CB 1 1 11 3138 1 1 15 LEU CD1 C 21.160 4.707 -1.199 1.00 . A A . 15 LEU CD1 1 1 11 3139 1 1 15 LEU CD2 C 20.917 2.273 -1.624 1.00 . A A . 15 LEU CD2 1 1 11 3140 1 1 15 LEU CG C 20.606 3.409 -0.637 1.00 . A A . 15 LEU CG 1 1 11 3141 1 1 15 LEU H H 20.821 0.651 0.491 1.00 . A A . 15 LEU H 1 1 11 3142 1 1 15 LEU HA H 23.011 2.441 -0.111 1.00 . A A . 15 LEU HA 1 1 11 3143 1 1 15 LEU HB2 H 20.416 2.758 1.400 1.00 . A A . 15 LEU HB2 1 1 11 3144 1 1 15 LEU HB3 H 21.545 4.087 1.171 1.00 . A A . 15 LEU HB3 1 1 11 3145 1 1 15 LEU HD11 H 20.757 4.867 -2.188 1.00 . A A . 15 LEU HD11 1 1 11 3146 1 1 15 LEU HD12 H 22.235 4.647 -1.251 1.00 . A A . 15 LEU HD12 1 1 11 3147 1 1 15 LEU HD13 H 20.873 5.526 -0.557 1.00 . A A . 15 LEU HD13 1 1 11 3148 1 1 15 LEU HD21 H 20.461 1.358 -1.283 1.00 . A A . 15 LEU HD21 1 1 11 3149 1 1 15 LEU HD22 H 21.983 2.137 -1.705 1.00 . A A . 15 LEU HD22 1 1 11 3150 1 1 15 LEU HD23 H 20.517 2.529 -2.595 1.00 . A A . 15 LEU HD23 1 1 11 3151 1 1 15 LEU HG H 19.550 3.499 -0.537 1.00 . A A . 15 LEU HG 1 1 11 3152 1 1 15 LEU N N 21.794 0.800 0.429 1.00 . A A . 15 LEU N 1 1 11 3153 1 1 15 LEU O O 24.270 2.565 2.056 1.00 . A A . 15 LEU O 1 1 11 3154 1 1 16 ALA C C 24.497 0.680 4.171 1.00 . A A . 16 ALA C 1 1 11 3155 1 1 16 ALA CA C 23.277 1.583 4.359 1.00 . A A . 16 ALA CA 1 1 11 3156 1 1 16 ALA CB C 22.365 1.008 5.447 1.00 . A A . 16 ALA CB 1 1 11 3157 1 1 16 ALA H H 21.623 1.284 3.001 1.00 . A A . 16 ALA H 1 1 11 3158 1 1 16 ALA HA H 23.601 2.575 4.640 1.00 . A A . 16 ALA HA 1 1 11 3159 1 1 16 ALA HB1 H 22.883 1.023 6.394 1.00 . A A . 16 ALA HB1 1 1 11 3160 1 1 16 ALA HB2 H 22.103 -0.010 5.195 1.00 . A A . 16 ALA HB2 1 1 11 3161 1 1 16 ALA HB3 H 21.467 1.604 5.516 1.00 . A A . 16 ALA HB3 1 1 11 3162 1 1 16 ALA N N 22.539 1.642 3.063 1.00 . A A . 16 ALA N 1 1 11 3163 1 1 16 ALA O O 25.512 0.836 4.820 1.00 . A A . 16 ALA O 1 1 11 3164 1 1 17 ASN C C 26.469 -0.473 1.976 1.00 . A A . 17 ASN C 1 1 11 3165 1 1 17 ASN CA C 25.548 -1.162 2.984 1.00 . A A . 17 ASN CA 1 1 11 3166 1 1 17 ASN CB C 25.015 -2.485 2.416 1.00 . A A . 17 ASN CB 1 1 11 3167 1 1 17 ASN CG C 26.150 -3.480 2.167 1.00 . A A . 17 ASN CG 1 1 11 3168 1 1 17 ASN H H 23.571 -0.335 2.740 1.00 . A A . 17 ASN H 1 1 11 3169 1 1 17 ASN HA H 26.091 -1.350 3.901 1.00 . A A . 17 ASN HA 1 1 11 3170 1 1 17 ASN HB2 H 24.326 -2.919 3.124 1.00 . A A . 17 ASN HB2 1 1 11 3171 1 1 17 ASN HB3 H 24.499 -2.296 1.487 1.00 . A A . 17 ASN HB3 1 1 11 3172 1 1 17 ASN HD21 H 27.596 -2.108 2.138 1.00 . A A . 17 ASN HD21 1 1 11 3173 1 1 17 ASN HD22 H 28.098 -3.722 1.899 1.00 . A A . 17 ASN HD22 1 1 11 3174 1 1 17 ASN N N 24.400 -0.251 3.260 1.00 . A A . 17 ASN N 1 1 11 3175 1 1 17 ASN ND2 N 27.382 -3.070 2.060 1.00 . A A . 17 ASN ND2 1 1 11 3176 1 1 17 ASN O O 27.674 -0.624 2.020 1.00 . A A . 17 ASN O 1 1 11 3177 1 1 17 ASN OD1 O 25.898 -4.661 2.059 1.00 . A A . 17 ASN OD1 1 1 11 3178 1 1 18 TYR C C 27.397 2.219 0.715 1.00 . A A . 18 TYR C 1 1 11 3179 1 1 18 TYR CA C 26.726 1.003 0.058 1.00 . A A . 18 TYR CA 1 1 11 3180 1 1 18 TYR CB C 25.818 1.462 -1.090 1.00 . A A . 18 TYR CB 1 1 11 3181 1 1 18 TYR CD1 C 27.647 2.255 -2.639 1.00 . A A . 18 TYR CD1 1 1 11 3182 1 1 18 TYR CD2 C 25.996 3.855 -1.870 1.00 . A A . 18 TYR CD2 1 1 11 3183 1 1 18 TYR CE1 C 28.282 3.264 -3.373 1.00 . A A . 18 TYR CE1 1 1 11 3184 1 1 18 TYR CE2 C 26.633 4.862 -2.606 1.00 . A A . 18 TYR CE2 1 1 11 3185 1 1 18 TYR CG C 26.505 2.550 -1.886 1.00 . A A . 18 TYR CG 1 1 11 3186 1 1 18 TYR CZ C 27.774 4.566 -3.355 1.00 . A A . 18 TYR CZ 1 1 11 3187 1 1 18 TYR H H 24.926 0.380 1.062 1.00 . A A . 18 TYR H 1 1 11 3188 1 1 18 TYR HA H 27.487 0.338 -0.327 1.00 . A A . 18 TYR HA 1 1 11 3189 1 1 18 TYR HB2 H 25.603 0.623 -1.735 1.00 . A A . 18 TYR HB2 1 1 11 3190 1 1 18 TYR HB3 H 24.893 1.845 -0.682 1.00 . A A . 18 TYR HB3 1 1 11 3191 1 1 18 TYR HD1 H 28.040 1.249 -2.652 1.00 . A A . 18 TYR HD1 1 1 11 3192 1 1 18 TYR HD2 H 25.114 4.085 -1.292 1.00 . A A . 18 TYR HD2 1 1 11 3193 1 1 18 TYR HE1 H 29.165 3.038 -3.952 1.00 . A A . 18 TYR HE1 1 1 11 3194 1 1 18 TYR HE2 H 26.243 5.868 -2.593 1.00 . A A . 18 TYR HE2 1 1 11 3195 1 1 18 TYR HH H 28.060 5.525 -4.975 1.00 . A A . 18 TYR HH 1 1 11 3196 1 1 18 TYR N N 25.903 0.283 1.072 1.00 . A A . 18 TYR N 1 1 11 3197 1 1 18 TYR O O 28.589 2.402 0.608 1.00 . A A . 18 TYR O 1 1 11 3198 1 1 18 TYR OH O 28.398 5.557 -4.078 1.00 . A A . 18 TYR OH 1 1 11 3199 1 1 19 NH2 HN1 H 25.699 2.932 1.490 1.00 . A A . 19 NH2 HN1 1 1 11 3200 1 1 19 NH2 HN2 H 27.111 3.850 1.810 1.00 . A A . 19 NH2 HN2 1 1 11 3201 1 1 19 NH2 N N 26.677 3.070 1.394 1.00 . A A . 19 NH2 N 1 1 12 3202 1 1 1 GLY C C 2.829 1.613 0.643 1.00 . A A . 1 GLY C 1 1 12 3203 1 1 1 GLY CA C 1.603 2.409 0.203 1.00 . A A . 1 GLY CA 1 1 12 3204 1 1 1 GLY H1 H 1.197 1.090 -1.373 1.00 . A A . 1 GLY H1 1 1 12 3205 1 1 1 GLY H2 H -0.138 2.032 -0.901 1.00 . A A . 1 GLY H2 1 1 12 3206 1 1 1 GLY H3 H 0.364 0.719 0.058 1.00 . A A . 1 GLY H3 1 1 12 3207 1 1 1 GLY HA2 H 1.912 3.228 -0.430 1.00 . A A . 1 GLY HA2 1 1 12 3208 1 1 1 GLY HA3 H 1.092 2.795 1.072 1.00 . A A . 1 GLY HA3 1 1 12 3209 1 1 1 GLY N N 0.686 1.498 -0.561 1.00 . A A . 1 GLY N 1 1 12 3210 1 1 1 GLY O O 3.957 2.026 0.458 1.00 . A A . 1 GLY O 1 1 12 3211 1 1 2 GLU C C 4.875 -0.400 0.644 1.00 . A A . 2 GLU C 1 1 12 3212 1 1 2 GLU CA C 3.700 -0.447 1.636 1.00 . A A . 2 GLU CA 1 1 12 3213 1 1 2 GLU CB C 3.138 -1.876 1.696 1.00 . A A . 2 GLU CB 1 1 12 3214 1 1 2 GLU CD C 1.758 -1.190 -0.327 1.00 . A A . 2 GLU CD 1 1 12 3215 1 1 2 GLU CG C 2.599 -2.309 0.310 1.00 . A A . 2 GLU CG 1 1 12 3216 1 1 2 GLU H H 1.668 0.151 1.294 1.00 . A A . 2 GLU H 1 1 12 3217 1 1 2 GLU HA H 4.041 -0.153 2.616 1.00 . A A . 2 GLU HA 1 1 12 3218 1 1 2 GLU HB2 H 3.921 -2.555 2.003 1.00 . A A . 2 GLU HB2 1 1 12 3219 1 1 2 GLU HB3 H 2.333 -1.912 2.416 1.00 . A A . 2 GLU HB3 1 1 12 3220 1 1 2 GLU HG2 H 3.429 -2.542 -0.339 1.00 . A A . 2 GLU HG2 1 1 12 3221 1 1 2 GLU HG3 H 1.984 -3.190 0.427 1.00 . A A . 2 GLU HG3 1 1 12 3222 1 1 2 GLU N N 2.598 0.455 1.193 1.00 . A A . 2 GLU N 1 1 12 3223 1 1 2 GLU O O 6.029 -0.340 1.035 1.00 . A A . 2 GLU O 1 1 12 3224 1 1 2 GLU OE1 O 2.214 -0.607 -1.299 1.00 . A A . 2 GLU OE1 1 1 12 3225 1 1 2 GLU OE2 O 0.690 -0.898 0.191 1.00 . A A . 2 GLU OE2 1 1 12 3226 1 1 3 CGU C C 6.609 0.793 -1.383 1.00 . A A . 3 CGU C 1 1 12 3227 1 1 3 CGU CA C 5.677 -0.395 -1.653 1.00 . A A . 3 CGU CA 1 1 12 3228 1 1 3 CGU CB C 5.054 -0.248 -3.062 1.00 . A A . 3 CGU CB 1 1 12 3229 1 1 3 CGU CD1 C 7.034 -1.381 -4.168 1.00 . A A . 3 CGU CD1 1 1 12 3230 1 1 3 CGU CD2 C 5.599 0.132 -5.509 1.00 . A A . 3 CGU CD2 1 1 12 3231 1 1 3 CGU CG C 6.176 -0.108 -4.106 1.00 . A A . 3 CGU CG 1 1 12 3232 1 1 3 CGU H H 3.646 -0.484 -0.922 1.00 . A A . 3 CGU H 1 1 12 3233 1 1 3 CGU HA H 6.258 -1.309 -1.592 1.00 . A A . 3 CGU HA 1 1 12 3234 1 1 3 CGU HB2 H 4.440 0.642 -3.084 1.00 . A A . 3 CGU HB2 1 1 12 3235 1 1 3 CGU HB3 H 4.434 -1.113 -3.300 1.00 . A A . 3 CGU HB3 1 1 12 3236 1 1 3 CGU HG H 6.801 0.727 -3.838 1.00 . A A . 3 CGU HG 1 1 12 3237 1 1 3 CGU N N 4.590 -0.431 -0.632 1.00 . A A . 3 CGU N 1 1 12 3238 1 1 3 CGU O O 7.807 0.706 -1.588 1.00 . A A . 3 CGU O 1 1 12 3239 1 1 3 CGU OE11 O 8.056 -1.336 -4.837 1.00 . A A . 3 CGU OE11 1 1 12 3240 1 1 3 CGU OE12 O 6.660 -2.374 -3.568 1.00 . A A . 3 CGU OE12 1 1 12 3241 1 1 3 CGU OE21 O 6.398 0.226 -6.436 1.00 . A A . 3 CGU OE21 1 1 12 3242 1 1 3 CGU OE22 O 4.390 0.216 -5.642 1.00 . A A . 3 CGU OE22 1 1 12 3243 1 1 4 CGU C C 7.910 2.726 0.495 1.00 . A A . 4 CGU C 1 1 12 3244 1 1 4 CGU CA C 6.948 3.072 -0.640 1.00 . A A . 4 CGU CA 1 1 12 3245 1 1 4 CGU CB C 6.078 4.270 -0.247 1.00 . A A . 4 CGU CB 1 1 12 3246 1 1 4 CGU CD1 C 6.923 5.706 -2.132 1.00 . A A . 4 CGU CD1 1 1 12 3247 1 1 4 CGU CD2 C 4.680 6.148 -1.140 1.00 . A A . 4 CGU CD2 1 1 12 3248 1 1 4 CGU CG C 5.683 5.051 -1.508 1.00 . A A . 4 CGU CG 1 1 12 3249 1 1 4 CGU H H 5.113 1.946 -0.750 1.00 . A A . 4 CGU H 1 1 12 3250 1 1 4 CGU HA H 7.517 3.315 -1.527 1.00 . A A . 4 CGU HA 1 1 12 3251 1 1 4 CGU HB2 H 6.633 4.918 0.416 1.00 . A A . 4 CGU HB2 1 1 12 3252 1 1 4 CGU HB3 H 5.187 3.920 0.254 1.00 . A A . 4 CGU HB3 1 1 12 3253 1 1 4 CGU HG H 5.231 4.378 -2.222 1.00 . A A . 4 CGU HG 1 1 12 3254 1 1 4 CGU N N 6.080 1.896 -0.920 1.00 . A A . 4 CGU N 1 1 12 3255 1 1 4 CGU O O 9.043 3.171 0.516 1.00 . A A . 4 CGU O 1 1 12 3256 1 1 4 CGU OE11 O 7.054 5.645 -3.342 1.00 . A A . 4 CGU OE11 1 1 12 3257 1 1 4 CGU OE12 O 7.726 6.256 -1.389 1.00 . A A . 4 CGU OE12 1 1 12 3258 1 1 4 CGU OE21 O 5.063 7.060 -0.424 1.00 . A A . 4 CGU OE21 1 1 12 3259 1 1 4 CGU OE22 O 3.543 6.056 -1.575 1.00 . A A . 4 CGU OE22 1 1 12 3260 1 1 5 LEU C C 9.281 0.397 2.061 1.00 . A A . 5 LEU C 1 1 12 3261 1 1 5 LEU CA C 8.360 1.517 2.547 1.00 . A A . 5 LEU CA 1 1 12 3262 1 1 5 LEU CB C 7.508 1.022 3.718 1.00 . A A . 5 LEU CB 1 1 12 3263 1 1 5 LEU CD1 C 5.574 2.622 3.795 1.00 . A A . 5 LEU CD1 1 1 12 3264 1 1 5 LEU CD2 C 6.635 1.849 5.912 1.00 . A A . 5 LEU CD2 1 1 12 3265 1 1 5 LEU CG C 6.895 2.221 4.452 1.00 . A A . 5 LEU CG 1 1 12 3266 1 1 5 LEU H H 6.563 1.560 1.376 1.00 . A A . 5 LEU H 1 1 12 3267 1 1 5 LEU HA H 8.955 2.362 2.861 1.00 . A A . 5 LEU HA 1 1 12 3268 1 1 5 LEU HB2 H 6.718 0.382 3.343 1.00 . A A . 5 LEU HB2 1 1 12 3269 1 1 5 LEU HB3 H 8.128 0.464 4.400 1.00 . A A . 5 LEU HB3 1 1 12 3270 1 1 5 LEU HD11 H 4.905 1.772 3.782 1.00 . A A . 5 LEU HD11 1 1 12 3271 1 1 5 LEU HD12 H 5.758 2.952 2.784 1.00 . A A . 5 LEU HD12 1 1 12 3272 1 1 5 LEU HD13 H 5.122 3.425 4.358 1.00 . A A . 5 LEU HD13 1 1 12 3273 1 1 5 LEU HD21 H 6.480 2.747 6.490 1.00 . A A . 5 LEU HD21 1 1 12 3274 1 1 5 LEU HD22 H 7.486 1.311 6.303 1.00 . A A . 5 LEU HD22 1 1 12 3275 1 1 5 LEU HD23 H 5.755 1.226 5.974 1.00 . A A . 5 LEU HD23 1 1 12 3276 1 1 5 LEU HG H 7.580 3.054 4.410 1.00 . A A . 5 LEU HG 1 1 12 3277 1 1 5 LEU N N 7.473 1.918 1.425 1.00 . A A . 5 LEU N 1 1 12 3278 1 1 5 LEU O O 10.475 0.415 2.299 1.00 . A A . 5 LEU O 1 1 12 3279 1 1 6 ALA C C 10.732 -1.104 0.028 1.00 . A A . 6 ALA C 1 1 12 3280 1 1 6 ALA CA C 9.574 -1.689 0.842 1.00 . A A . 6 ALA CA 1 1 12 3281 1 1 6 ALA CB C 8.722 -2.597 -0.051 1.00 . A A . 6 ALA CB 1 1 12 3282 1 1 6 ALA H H 7.767 -0.550 1.179 1.00 . A A . 6 ALA H 1 1 12 3283 1 1 6 ALA HA H 9.968 -2.262 1.669 1.00 . A A . 6 ALA HA 1 1 12 3284 1 1 6 ALA HB1 H 7.906 -2.026 -0.471 1.00 . A A . 6 ALA HB1 1 1 12 3285 1 1 6 ALA HB2 H 8.325 -3.410 0.537 1.00 . A A . 6 ALA HB2 1 1 12 3286 1 1 6 ALA HB3 H 9.332 -2.995 -0.849 1.00 . A A . 6 ALA HB3 1 1 12 3287 1 1 6 ALA N N 8.733 -0.569 1.366 1.00 . A A . 6 ALA N 1 1 12 3288 1 1 6 ALA O O 11.883 -1.453 0.226 1.00 . A A . 6 ALA O 1 1 12 3289 1 1 7 CGU C C 12.552 1.017 -0.741 1.00 . A A . 7 CGU C 1 1 12 3290 1 1 7 CGU CA C 11.507 0.428 -1.692 1.00 . A A . 7 CGU CA 1 1 12 3291 1 1 7 CGU CB C 10.892 1.542 -2.545 1.00 . A A . 7 CGU CB 1 1 12 3292 1 1 7 CGU CD1 C 9.028 1.978 -4.206 1.00 . A A . 7 CGU CD1 1 1 12 3293 1 1 7 CGU CD2 C 10.877 0.427 -4.821 1.00 . A A . 7 CGU CD2 1 1 12 3294 1 1 7 CGU CG C 10.005 0.926 -3.655 1.00 . A A . 7 CGU CG 1 1 12 3295 1 1 7 CGU H H 9.500 0.073 -1.005 1.00 . A A . 7 CGU H 1 1 12 3296 1 1 7 CGU HA H 11.967 -0.315 -2.330 1.00 . A A . 7 CGU HA 1 1 12 3297 1 1 7 CGU HB2 H 11.681 2.117 -2.998 1.00 . A A . 7 CGU HB2 1 1 12 3298 1 1 7 CGU HB3 H 10.296 2.193 -1.911 1.00 . A A . 7 CGU HB3 1 1 12 3299 1 1 7 CGU HG H 9.439 0.090 -3.257 1.00 . A A . 7 CGU HG 1 1 12 3300 1 1 7 CGU N N 10.433 -0.202 -0.876 1.00 . A A . 7 CGU N 1 1 12 3301 1 1 7 CGU O O 13.732 0.725 -0.830 1.00 . A A . 7 CGU O 1 1 12 3302 1 1 7 CGU OE11 O 8.444 1.721 -5.250 1.00 . A A . 7 CGU OE11 1 1 12 3303 1 1 7 CGU OE12 O 8.873 3.014 -3.581 1.00 . A A . 7 CGU OE12 1 1 12 3304 1 1 7 CGU OE21 O 12.082 0.607 -4.770 1.00 . A A . 7 CGU OE21 1 1 12 3305 1 1 7 CGU OE22 O 10.315 -0.128 -5.758 1.00 . A A . 7 CGU OE22 1 1 12 3306 1 1 8 LYS C C 13.722 1.283 1.960 1.00 . A A . 8 LYS C 1 1 12 3307 1 1 8 LYS CA C 13.050 2.417 1.186 1.00 . A A . 8 LYS CA 1 1 12 3308 1 1 8 LYS CB C 12.260 3.308 2.149 1.00 . A A . 8 LYS CB 1 1 12 3309 1 1 8 LYS CD C 10.595 5.183 2.091 1.00 . A A . 8 LYS CD 1 1 12 3310 1 1 8 LYS CE C 9.891 6.132 1.118 1.00 . A A . 8 LYS CE 1 1 12 3311 1 1 8 LYS CG C 11.837 4.587 1.419 1.00 . A A . 8 LYS CG 1 1 12 3312 1 1 8 LYS H H 11.154 2.016 0.254 1.00 . A A . 8 LYS H 1 1 12 3313 1 1 8 LYS HA H 13.795 3.007 0.680 1.00 . A A . 8 LYS HA 1 1 12 3314 1 1 8 LYS HB2 H 11.385 2.777 2.493 1.00 . A A . 8 LYS HB2 1 1 12 3315 1 1 8 LYS HB3 H 12.884 3.565 2.992 1.00 . A A . 8 LYS HB3 1 1 12 3316 1 1 8 LYS HD2 H 9.918 4.389 2.372 1.00 . A A . 8 LYS HD2 1 1 12 3317 1 1 8 LYS HD3 H 10.891 5.731 2.973 1.00 . A A . 8 LYS HD3 1 1 12 3318 1 1 8 LYS HE2 H 8.981 6.501 1.570 1.00 . A A . 8 LYS HE2 1 1 12 3319 1 1 8 LYS HE3 H 10.543 6.964 0.888 1.00 . A A . 8 LYS HE3 1 1 12 3320 1 1 8 LYS HG2 H 12.646 5.304 1.457 1.00 . A A . 8 LYS HG2 1 1 12 3321 1 1 8 LYS HG3 H 11.614 4.354 0.389 1.00 . A A . 8 LYS HG3 1 1 12 3322 1 1 8 LYS HZ1 H 8.756 5.852 -0.626 1.00 . A A . 8 LYS HZ1 1 1 12 3323 1 1 8 LYS HZ2 H 9.309 4.398 0.105 1.00 . A A . 8 LYS HZ2 1 1 12 3324 1 1 8 LYS HZ3 H 10.391 5.387 -0.764 1.00 . A A . 8 LYS HZ3 1 1 12 3325 1 1 8 LYS N N 12.113 1.822 0.193 1.00 . A A . 8 LYS N 1 1 12 3326 1 1 8 LYS NZ N 9.566 5.388 -0.135 1.00 . A A . 8 LYS NZ 1 1 12 3327 1 1 8 LYS O O 14.927 1.259 2.128 1.00 . A A . 8 LYS O 1 1 12 3328 1 1 9 ALA C C 14.604 -1.505 2.343 1.00 . A A . 9 ALA C 1 1 12 3329 1 1 9 ALA CA C 13.517 -0.813 3.177 1.00 . A A . 9 ALA CA 1 1 12 3330 1 1 9 ALA CB C 12.401 -1.814 3.497 1.00 . A A . 9 ALA CB 1 1 12 3331 1 1 9 ALA H H 11.970 0.381 2.258 1.00 . A A . 9 ALA H 1 1 12 3332 1 1 9 ALA HA H 13.950 -0.453 4.100 1.00 . A A . 9 ALA HA 1 1 12 3333 1 1 9 ALA HB1 H 12.650 -2.358 4.397 1.00 . A A . 9 ALA HB1 1 1 12 3334 1 1 9 ALA HB2 H 12.291 -2.507 2.677 1.00 . A A . 9 ALA HB2 1 1 12 3335 1 1 9 ALA HB3 H 11.472 -1.282 3.644 1.00 . A A . 9 ALA HB3 1 1 12 3336 1 1 9 ALA N N 12.945 0.336 2.419 1.00 . A A . 9 ALA N 1 1 12 3337 1 1 9 ALA O O 15.657 -1.858 2.849 1.00 . A A . 9 ALA O 1 1 12 3338 1 1 10 CGU C C 16.513 -1.392 -0.107 1.00 . A A . 10 CGU C 1 1 12 3339 1 1 10 CGU CA C 15.393 -2.387 0.245 1.00 . A A . 10 CGU CA 1 1 12 3340 1 1 10 CGU CB C 14.749 -2.960 -1.029 1.00 . A A . 10 CGU CB 1 1 12 3341 1 1 10 CGU CD1 C 15.374 -3.430 -3.444 1.00 . A A . 10 CGU CD1 1 1 12 3342 1 1 10 CGU CD2 C 16.503 -4.682 -1.606 1.00 . A A . 10 CGU CD2 1 1 12 3343 1 1 10 CGU CG C 15.871 -3.331 -1.995 1.00 . A A . 10 CGU CG 1 1 12 3344 1 1 10 CGU H H 13.519 -1.433 0.669 1.00 . A A . 10 CGU H 1 1 12 3345 1 1 10 CGU HA H 15.822 -3.196 0.815 1.00 . A A . 10 CGU HA 1 1 12 3346 1 1 10 CGU HB2 H 14.105 -2.224 -1.484 1.00 . A A . 10 CGU HB2 1 1 12 3347 1 1 10 CGU HB3 H 14.173 -3.840 -0.780 1.00 . A A . 10 CGU HB3 1 1 12 3348 1 1 10 CGU HG H 16.614 -2.560 -1.936 1.00 . A A . 10 CGU HG 1 1 12 3349 1 1 10 CGU N N 14.367 -1.713 1.073 1.00 . A A . 10 CGU N 1 1 12 3350 1 1 10 CGU O O 17.680 -1.702 0.030 1.00 . A A . 10 CGU O 1 1 12 3351 1 1 10 CGU OE11 O 14.177 -3.344 -3.660 1.00 . A A . 10 CGU OE11 1 1 12 3352 1 1 10 CGU OE12 O 16.219 -3.600 -4.320 1.00 . A A . 10 CGU OE12 1 1 12 3353 1 1 10 CGU OE21 O 17.194 -5.253 -2.444 1.00 . A A . 10 CGU OE21 1 1 12 3354 1 1 10 CGU OE22 O 16.299 -5.121 -0.484 1.00 . A A . 10 CGU OE22 1 1 12 3355 1 1 11 PHE C C 18.048 1.050 0.404 1.00 . A A . 11 PHE C 1 1 12 3356 1 1 11 PHE CA C 17.253 0.790 -0.865 1.00 . A A . 11 PHE CA 1 1 12 3357 1 1 11 PHE CB C 16.595 2.067 -1.416 1.00 . A A . 11 PHE CB 1 1 12 3358 1 1 11 PHE CD1 C 17.961 4.104 -2.028 1.00 . A A . 11 PHE CD1 1 1 12 3359 1 1 11 PHE CD2 C 17.374 3.771 0.303 1.00 . A A . 11 PHE CD2 1 1 12 3360 1 1 11 PHE CE1 C 18.596 5.306 -1.694 1.00 . A A . 11 PHE CE1 1 1 12 3361 1 1 11 PHE CE2 C 18.023 4.965 0.636 1.00 . A A . 11 PHE CE2 1 1 12 3362 1 1 11 PHE CG C 17.345 3.333 -1.031 1.00 . A A . 11 PHE CG 1 1 12 3363 1 1 11 PHE CZ C 18.628 5.736 -0.362 1.00 . A A . 11 PHE CZ 1 1 12 3364 1 1 11 PHE H H 15.240 0.057 -0.620 1.00 . A A . 11 PHE H 1 1 12 3365 1 1 11 PHE HA H 17.914 0.380 -1.613 1.00 . A A . 11 PHE HA 1 1 12 3366 1 1 11 PHE HB2 H 16.562 2.002 -2.493 1.00 . A A . 11 PHE HB2 1 1 12 3367 1 1 11 PHE HB3 H 15.589 2.127 -1.047 1.00 . A A . 11 PHE HB3 1 1 12 3368 1 1 11 PHE HD1 H 17.961 3.764 -3.051 1.00 . A A . 11 PHE HD1 1 1 12 3369 1 1 11 PHE HD2 H 16.923 3.177 1.078 1.00 . A A . 11 PHE HD2 1 1 12 3370 1 1 11 PHE HE1 H 19.069 5.900 -2.463 1.00 . A A . 11 PHE HE1 1 1 12 3371 1 1 11 PHE HE2 H 18.049 5.297 1.664 1.00 . A A . 11 PHE HE2 1 1 12 3372 1 1 11 PHE HZ H 19.119 6.664 -0.105 1.00 . A A . 11 PHE HZ 1 1 12 3373 1 1 11 PHE N N 16.183 -0.198 -0.536 1.00 . A A . 11 PHE N 1 1 12 3374 1 1 11 PHE O O 19.257 1.104 0.383 1.00 . A A . 11 PHE O 1 1 12 3375 1 1 12 ALA C C 19.186 0.309 2.957 1.00 . A A . 12 ALA C 1 1 12 3376 1 1 12 ALA CA C 18.121 1.399 2.788 1.00 . A A . 12 ALA CA 1 1 12 3377 1 1 12 ALA CB C 17.141 1.344 3.962 1.00 . A A . 12 ALA CB 1 1 12 3378 1 1 12 ALA H H 16.403 1.095 1.523 1.00 . A A . 12 ALA H 1 1 12 3379 1 1 12 ALA HA H 18.597 2.368 2.756 1.00 . A A . 12 ALA HA 1 1 12 3380 1 1 12 ALA HB1 H 17.689 1.398 4.891 1.00 . A A . 12 ALA HB1 1 1 12 3381 1 1 12 ALA HB2 H 16.586 0.418 3.924 1.00 . A A . 12 ALA HB2 1 1 12 3382 1 1 12 ALA HB3 H 16.456 2.177 3.898 1.00 . A A . 12 ALA HB3 1 1 12 3383 1 1 12 ALA N N 17.386 1.171 1.519 1.00 . A A . 12 ALA N 1 1 12 3384 1 1 12 ALA O O 20.274 0.567 3.424 1.00 . A A . 12 ALA O 1 1 12 3385 1 1 13 ARG C C 21.051 -1.786 1.751 1.00 . A A . 13 ARG C 1 1 12 3386 1 1 13 ARG CA C 19.885 -2.004 2.723 1.00 . A A . 13 ARG CA 1 1 12 3387 1 1 13 ARG CB C 19.210 -3.348 2.437 1.00 . A A . 13 ARG CB 1 1 12 3388 1 1 13 ARG CD C 17.358 -4.817 3.249 1.00 . A A . 13 ARG CD 1 1 12 3389 1 1 13 ARG CG C 18.409 -3.787 3.664 1.00 . A A . 13 ARG CG 1 1 12 3390 1 1 13 ARG CZ C 15.020 -4.789 2.638 1.00 . A A . 13 ARG CZ 1 1 12 3391 1 1 13 ARG H H 17.994 -1.098 2.193 1.00 . A A . 13 ARG H 1 1 12 3392 1 1 13 ARG HA H 20.265 -2.004 3.734 1.00 . A A . 13 ARG HA 1 1 12 3393 1 1 13 ARG HB2 H 18.547 -3.244 1.589 1.00 . A A . 13 ARG HB2 1 1 12 3394 1 1 13 ARG HB3 H 19.963 -4.090 2.215 1.00 . A A . 13 ARG HB3 1 1 12 3395 1 1 13 ARG HD2 H 17.715 -5.373 2.393 1.00 . A A . 13 ARG HD2 1 1 12 3396 1 1 13 ARG HD3 H 17.176 -5.498 4.069 1.00 . A A . 13 ARG HD3 1 1 12 3397 1 1 13 ARG HE H 16.067 -3.116 2.863 1.00 . A A . 13 ARG HE 1 1 12 3398 1 1 13 ARG HG2 H 19.077 -4.228 4.392 1.00 . A A . 13 ARG HG2 1 1 12 3399 1 1 13 ARG HG3 H 17.917 -2.930 4.102 1.00 . A A . 13 ARG HG3 1 1 12 3400 1 1 13 ARG HH11 H 15.584 -5.263 0.781 1.00 . A A . 13 ARG HH11 1 1 12 3401 1 1 13 ARG HH12 H 14.040 -5.871 1.290 1.00 . A A . 13 ARG HH12 1 1 12 3402 1 1 13 ARG HH21 H 14.221 -4.454 4.424 1.00 . A A . 13 ARG HH21 1 1 12 3403 1 1 13 ARG HH22 H 13.273 -5.420 3.348 1.00 . A A . 13 ARG HH22 1 1 12 3404 1 1 13 ARG N N 18.881 -0.907 2.576 1.00 . A A . 13 ARG N 1 1 12 3405 1 1 13 ARG NE N 16.092 -4.111 2.895 1.00 . A A . 13 ARG NE 1 1 12 3406 1 1 13 ARG NH1 N 14.867 -5.352 1.485 1.00 . A A . 13 ARG NH1 1 1 12 3407 1 1 13 ARG NH2 N 14.100 -4.896 3.537 1.00 . A A . 13 ARG NH2 1 1 12 3408 1 1 13 ARG O O 22.177 -1.573 2.164 1.00 . A A . 13 ARG O 1 1 12 3409 1 1 14 CGU C C 22.539 -0.253 -0.278 1.00 . A A . 14 CGU C 1 1 12 3410 1 1 14 CGU CA C 21.884 -1.615 -0.525 1.00 . A A . 14 CGU CA 1 1 12 3411 1 1 14 CGU CB C 21.297 -1.666 -1.940 1.00 . A A . 14 CGU CB 1 1 12 3412 1 1 14 CGU CD1 C 19.412 -3.293 -1.859 1.00 . A A . 14 CGU CD1 1 1 12 3413 1 1 14 CGU CD2 C 20.994 -3.399 -3.771 1.00 . A A . 14 CGU CD2 1 1 12 3414 1 1 14 CGU CG C 20.870 -3.108 -2.260 1.00 . A A . 14 CGU CG 1 1 12 3415 1 1 14 CGU H H 19.878 -1.995 0.153 1.00 . A A . 14 CGU H 1 1 12 3416 1 1 14 CGU HA H 22.626 -2.393 -0.416 1.00 . A A . 14 CGU HA 1 1 12 3417 1 1 14 CGU HB2 H 22.034 -1.338 -2.647 1.00 . A A . 14 CGU HB2 1 1 12 3418 1 1 14 CGU HB3 H 20.433 -1.014 -1.990 1.00 . A A . 14 CGU HB3 1 1 12 3419 1 1 14 CGU HG H 21.488 -3.798 -1.707 1.00 . A A . 14 CGU HG 1 1 12 3420 1 1 14 CGU N N 20.792 -1.827 0.466 1.00 . A A . 14 CGU N 1 1 12 3421 1 1 14 CGU O O 23.670 -0.018 -0.651 1.00 . A A . 14 CGU O 1 1 12 3422 1 1 14 CGU OE11 O 18.560 -2.881 -2.628 1.00 . A A . 14 CGU OE11 1 1 12 3423 1 1 14 CGU OE12 O 19.169 -3.850 -0.806 1.00 . A A . 14 CGU OE12 1 1 12 3424 1 1 14 CGU OE21 O 21.956 -2.951 -4.366 1.00 . A A . 14 CGU OE21 1 1 12 3425 1 1 14 CGU OE22 O 20.115 -4.078 -4.306 1.00 . A A . 14 CGU OE22 1 1 12 3426 1 1 15 LEU C C 23.120 1.991 1.972 1.00 . A A . 15 LEU C 1 1 12 3427 1 1 15 LEU CA C 22.378 1.995 0.625 1.00 . A A . 15 LEU CA 1 1 12 3428 1 1 15 LEU CB C 21.225 2.999 0.666 1.00 . A A . 15 LEU CB 1 1 12 3429 1 1 15 LEU CD1 C 21.292 4.538 -1.300 1.00 . A A . 15 LEU CD1 1 1 12 3430 1 1 15 LEU CD2 C 20.981 2.113 -1.711 1.00 . A A . 15 LEU CD2 1 1 12 3431 1 1 15 LEU CG C 20.679 3.264 -0.744 1.00 . A A . 15 LEU CG 1 1 12 3432 1 1 15 LEU H H 20.907 0.426 0.623 1.00 . A A . 15 LEU H 1 1 12 3433 1 1 15 LEU HA H 23.062 2.277 -0.157 1.00 . A A . 15 LEU HA 1 1 12 3434 1 1 15 LEU HB2 H 20.430 2.609 1.283 1.00 . A A . 15 LEU HB2 1 1 12 3435 1 1 15 LEU HB3 H 21.573 3.929 1.088 1.00 . A A . 15 LEU HB3 1 1 12 3436 1 1 15 LEU HD11 H 20.896 4.721 -2.288 1.00 . A A . 15 LEU HD11 1 1 12 3437 1 1 15 LEU HD12 H 22.362 4.428 -1.353 1.00 . A A . 15 LEU HD12 1 1 12 3438 1 1 15 LEU HD13 H 21.042 5.366 -0.654 1.00 . A A . 15 LEU HD13 1 1 12 3439 1 1 15 LEU HD21 H 20.566 2.346 -2.680 1.00 . A A . 15 LEU HD21 1 1 12 3440 1 1 15 LEU HD22 H 20.534 1.205 -1.343 1.00 . A A . 15 LEU HD22 1 1 12 3441 1 1 15 LEU HD23 H 22.046 1.984 -1.801 1.00 . A A . 15 LEU HD23 1 1 12 3442 1 1 15 LEU HG H 19.623 3.389 -0.671 1.00 . A A . 15 LEU HG 1 1 12 3443 1 1 15 LEU N N 21.824 0.643 0.343 1.00 . A A . 15 LEU N 1 1 12 3444 1 1 15 LEU O O 24.208 2.520 2.091 1.00 . A A . 15 LEU O 1 1 12 3445 1 1 16 ALA C C 24.509 0.614 4.304 1.00 . A A . 16 ALA C 1 1 12 3446 1 1 16 ALA CA C 23.189 1.398 4.337 1.00 . A A . 16 ALA CA 1 1 12 3447 1 1 16 ALA CB C 22.243 0.759 5.357 1.00 . A A . 16 ALA CB 1 1 12 3448 1 1 16 ALA H H 21.641 1.006 2.877 1.00 . A A . 16 ALA H 1 1 12 3449 1 1 16 ALA HA H 23.396 2.412 4.640 1.00 . A A . 16 ALA HA 1 1 12 3450 1 1 16 ALA HB1 H 21.349 1.360 5.447 1.00 . A A . 16 ALA HB1 1 1 12 3451 1 1 16 ALA HB2 H 22.735 0.699 6.317 1.00 . A A . 16 ALA HB2 1 1 12 3452 1 1 16 ALA HB3 H 21.977 -0.235 5.028 1.00 . A A . 16 ALA HB3 1 1 12 3453 1 1 16 ALA N N 22.531 1.416 2.991 1.00 . A A . 16 ALA N 1 1 12 3454 1 1 16 ALA O O 25.456 0.964 4.982 1.00 . A A . 16 ALA O 1 1 12 3455 1 1 17 ASN C C 27.029 -0.373 2.994 1.00 . A A . 17 ASN C 1 1 12 3456 1 1 17 ASN CA C 25.869 -1.235 3.512 1.00 . A A . 17 ASN CA 1 1 12 3457 1 1 17 ASN CB C 25.710 -2.479 2.624 1.00 . A A . 17 ASN CB 1 1 12 3458 1 1 17 ASN CG C 25.117 -2.107 1.263 1.00 . A A . 17 ASN CG 1 1 12 3459 1 1 17 ASN H H 23.819 -0.733 3.008 1.00 . A A . 17 ASN H 1 1 12 3460 1 1 17 ASN HA H 26.103 -1.555 4.517 1.00 . A A . 17 ASN HA 1 1 12 3461 1 1 17 ASN HB2 H 26.676 -2.938 2.477 1.00 . A A . 17 ASN HB2 1 1 12 3462 1 1 17 ASN HB3 H 25.056 -3.184 3.113 1.00 . A A . 17 ASN HB3 1 1 12 3463 1 1 17 ASN HD21 H 26.034 -0.353 1.157 1.00 . A A . 17 ASN HD21 1 1 12 3464 1 1 17 ASN HD22 H 25.012 -0.728 -0.157 1.00 . A A . 17 ASN HD22 1 1 12 3465 1 1 17 ASN N N 24.591 -0.448 3.543 1.00 . A A . 17 ASN N 1 1 12 3466 1 1 17 ASN ND2 N 25.419 -0.972 0.710 1.00 . A A . 17 ASN ND2 1 1 12 3467 1 1 17 ASN O O 28.171 -0.777 3.049 1.00 . A A . 17 ASN O 1 1 12 3468 1 1 17 ASN OD1 O 24.387 -2.878 0.685 1.00 . A A . 17 ASN OD1 1 1 12 3469 1 1 18 TYR C C 28.550 2.375 3.177 1.00 . A A . 18 TYR C 1 1 12 3470 1 1 18 TYR CA C 27.864 1.671 1.996 1.00 . A A . 18 TYR CA 1 1 12 3471 1 1 18 TYR CB C 27.289 2.710 1.021 1.00 . A A . 18 TYR CB 1 1 12 3472 1 1 18 TYR CD1 C 28.016 1.290 -0.941 1.00 . A A . 18 TYR CD1 1 1 12 3473 1 1 18 TYR CD2 C 25.790 2.257 -0.974 1.00 . A A . 18 TYR CD2 1 1 12 3474 1 1 18 TYR CE1 C 27.777 0.705 -2.189 1.00 . A A . 18 TYR CE1 1 1 12 3475 1 1 18 TYR CE2 C 25.557 1.666 -2.224 1.00 . A A . 18 TYR CE2 1 1 12 3476 1 1 18 TYR CG C 27.023 2.068 -0.328 1.00 . A A . 18 TYR CG 1 1 12 3477 1 1 18 TYR CZ C 26.551 0.892 -2.828 1.00 . A A . 18 TYR CZ 1 1 12 3478 1 1 18 TYR H H 25.833 1.128 2.467 1.00 . A A . 18 TYR H 1 1 12 3479 1 1 18 TYR HA H 28.591 1.056 1.487 1.00 . A A . 18 TYR HA 1 1 12 3480 1 1 18 TYR HB2 H 26.366 3.105 1.421 1.00 . A A . 18 TYR HB2 1 1 12 3481 1 1 18 TYR HB3 H 27.997 3.513 0.902 1.00 . A A . 18 TYR HB3 1 1 12 3482 1 1 18 TYR HD1 H 28.963 1.144 -0.453 1.00 . A A . 18 TYR HD1 1 1 12 3483 1 1 18 TYR HD2 H 25.021 2.857 -0.509 1.00 . A A . 18 TYR HD2 1 1 12 3484 1 1 18 TYR HE1 H 28.541 0.106 -2.659 1.00 . A A . 18 TYR HE1 1 1 12 3485 1 1 18 TYR HE2 H 24.608 1.807 -2.721 1.00 . A A . 18 TYR HE2 1 1 12 3486 1 1 18 TYR HH H 26.921 0.737 -4.691 1.00 . A A . 18 TYR HH 1 1 12 3487 1 1 18 TYR N N 26.758 0.807 2.501 1.00 . A A . 18 TYR N 1 1 12 3488 1 1 18 TYR O O 28.918 3.528 3.091 1.00 . A A . 18 TYR O 1 1 12 3489 1 1 18 TYR OH O 26.326 0.322 -4.061 1.00 . A A . 18 TYR OH 1 1 12 3490 1 1 19 NH2 HN1 H 28.448 0.778 4.354 1.00 . A A . 19 NH2 HN1 1 1 12 3491 1 1 19 NH2 HN2 H 29.196 2.158 5.041 1.00 . A A . 19 NH2 HN2 1 1 12 3492 1 1 19 NH2 N N 28.748 1.716 4.281 1.00 . A A . 19 NH2 N 1 1 13 3493 1 1 1 GLY C C 2.790 2.167 1.059 1.00 . A A . 1 GLY C 1 1 13 3494 1 1 1 GLY CA C 1.813 3.249 0.599 1.00 . A A . 1 GLY CA 1 1 13 3495 1 1 1 GLY H1 H 3.201 4.447 1.586 1.00 . A A . 1 GLY H1 1 1 13 3496 1 1 1 GLY H2 H 1.631 5.104 1.544 1.00 . A A . 1 GLY H2 1 1 13 3497 1 1 1 GLY H3 H 2.611 5.130 0.146 1.00 . A A . 1 GLY H3 1 1 13 3498 1 1 1 GLY HA2 H 0.852 3.088 1.065 1.00 . A A . 1 GLY HA2 1 1 13 3499 1 1 1 GLY HA3 H 1.706 3.207 -0.474 1.00 . A A . 1 GLY HA3 1 1 13 3500 1 1 1 GLY N N 2.352 4.583 0.999 1.00 . A A . 1 GLY N 1 1 13 3501 1 1 1 GLY O O 3.854 2.465 1.556 1.00 . A A . 1 GLY O 1 1 13 3502 1 1 2 GLU C C 4.608 -0.229 0.474 1.00 . A A . 2 GLU C 1 1 13 3503 1 1 2 GLU CA C 3.346 -0.181 1.351 1.00 . A A . 2 GLU CA 1 1 13 3504 1 1 2 GLU CB C 2.595 -1.508 1.240 1.00 . A A . 2 GLU CB 1 1 13 3505 1 1 2 GLU CD C 2.785 -3.984 1.478 1.00 . A A . 2 GLU CD 1 1 13 3506 1 1 2 GLU CG C 3.484 -2.651 1.739 1.00 . A A . 2 GLU CG 1 1 13 3507 1 1 2 GLU H H 1.569 0.702 0.509 1.00 . A A . 2 GLU H 1 1 13 3508 1 1 2 GLU HA H 3.631 -0.018 2.379 1.00 . A A . 2 GLU HA 1 1 13 3509 1 1 2 GLU HB2 H 1.697 -1.463 1.841 1.00 . A A . 2 GLU HB2 1 1 13 3510 1 1 2 GLU HB3 H 2.329 -1.687 0.208 1.00 . A A . 2 GLU HB3 1 1 13 3511 1 1 2 GLU HG2 H 4.429 -2.632 1.215 1.00 . A A . 2 GLU HG2 1 1 13 3512 1 1 2 GLU HG3 H 3.656 -2.540 2.798 1.00 . A A . 2 GLU HG3 1 1 13 3513 1 1 2 GLU N N 2.437 0.920 0.906 1.00 . A A . 2 GLU N 1 1 13 3514 1 1 2 GLU O O 5.721 -0.145 0.965 1.00 . A A . 2 GLU O 1 1 13 3515 1 1 2 GLU OE1 O 2.786 -4.411 0.335 1.00 . A A . 2 GLU OE1 1 1 13 3516 1 1 2 GLU OE2 O 2.254 -4.548 2.420 1.00 . A A . 2 GLU OE2 1 1 13 3517 1 1 3 CGU C C 6.598 0.713 -1.406 1.00 . A A . 3 CGU C 1 1 13 3518 1 1 3 CGU CA C 5.622 -0.423 -1.740 1.00 . A A . 3 CGU CA 1 1 13 3519 1 1 3 CGU CB C 5.123 -0.278 -3.198 1.00 . A A . 3 CGU CB 1 1 13 3520 1 1 3 CGU CD1 C 7.105 -1.582 -4.105 1.00 . A A . 3 CGU CD1 1 1 13 3521 1 1 3 CGU CD2 C 5.831 -0.086 -5.620 1.00 . A A . 3 CGU CD2 1 1 13 3522 1 1 3 CGU CG C 6.317 -0.264 -4.173 1.00 . A A . 3 CGU CG 1 1 13 3523 1 1 3 CGU H H 3.538 -0.429 -1.183 1.00 . A A . 3 CGU H 1 1 13 3524 1 1 3 CGU HA H 6.133 -1.372 -1.607 1.00 . A A . 3 CGU HA 1 1 13 3525 1 1 3 CGU HB2 H 4.586 0.656 -3.292 1.00 . A A . 3 CGU HB2 1 1 13 3526 1 1 3 CGU HB3 H 4.454 -1.097 -3.457 1.00 . A A . 3 CGU HB3 1 1 13 3527 1 1 3 CGU HG H 6.970 0.556 -3.918 1.00 . A A . 3 CGU HG 1 1 13 3528 1 1 3 CGU N N 4.443 -0.362 -0.817 1.00 . A A . 3 CGU N 1 1 13 3529 1 1 3 CGU O O 7.800 0.572 -1.546 1.00 . A A . 3 CGU O 1 1 13 3530 1 1 3 CGU OE11 O 8.170 -1.631 -4.702 1.00 . A A . 3 CGU OE11 1 1 13 3531 1 1 3 CGU OE12 O 6.634 -2.518 -3.484 1.00 . A A . 3 CGU OE12 1 1 13 3532 1 1 3 CGU OE21 O 4.661 0.199 -5.815 1.00 . A A . 3 CGU OE21 1 1 13 3533 1 1 3 CGU OE22 O 6.651 -0.238 -6.518 1.00 . A A . 3 CGU OE22 1 1 13 3534 1 1 4 CGU C C 7.928 2.558 0.526 1.00 . A A . 4 CGU C 1 1 13 3535 1 1 4 CGU CA C 6.978 2.972 -0.599 1.00 . A A . 4 CGU CA 1 1 13 3536 1 1 4 CGU CB C 6.116 4.146 -0.140 1.00 . A A . 4 CGU CB 1 1 13 3537 1 1 4 CGU CD1 C 7.289 5.908 -1.476 1.00 . A A . 4 CGU CD1 1 1 13 3538 1 1 4 CGU CD2 C 4.842 6.138 -0.968 1.00 . A A . 4 CGU CD2 1 1 13 3539 1 1 4 CGU CG C 5.968 5.146 -1.290 1.00 . A A . 4 CGU CG 1 1 13 3540 1 1 4 CGU H H 5.122 1.908 -0.844 1.00 . A A . 4 CGU H 1 1 13 3541 1 1 4 CGU HA H 7.554 3.263 -1.465 1.00 . A A . 4 CGU HA 1 1 13 3542 1 1 4 CGU HB2 H 6.585 4.633 0.703 1.00 . A A . 4 CGU HB2 1 1 13 3543 1 1 4 CGU HB3 H 5.139 3.781 0.153 1.00 . A A . 4 CGU HB3 1 1 13 3544 1 1 4 CGU HG H 5.729 4.615 -2.201 1.00 . A A . 4 CGU HG 1 1 13 3545 1 1 4 CGU N N 6.090 1.827 -0.955 1.00 . A A . 4 CGU N 1 1 13 3546 1 1 4 CGU O O 9.040 3.054 0.630 1.00 . A A . 4 CGU O 1 1 13 3547 1 1 4 CGU OE11 O 7.716 6.048 -2.609 1.00 . A A . 4 CGU OE11 1 1 13 3548 1 1 4 CGU OE12 O 7.857 6.330 -0.479 1.00 . A A . 4 CGU OE12 1 1 13 3549 1 1 4 CGU OE21 O 5.098 7.330 -0.971 1.00 . A A . 4 CGU OE21 1 1 13 3550 1 1 4 CGU OE22 O 3.733 5.682 -0.722 1.00 . A A . 4 CGU OE22 1 1 13 3551 1 1 5 LEU C C 9.279 0.071 1.958 1.00 . A A . 5 LEU C 1 1 13 3552 1 1 5 LEU CA C 8.374 1.189 2.472 1.00 . A A . 5 LEU CA 1 1 13 3553 1 1 5 LEU CB C 7.503 0.665 3.613 1.00 . A A . 5 LEU CB 1 1 13 3554 1 1 5 LEU CD1 C 5.589 2.282 3.779 1.00 . A A . 5 LEU CD1 1 1 13 3555 1 1 5 LEU CD2 C 6.695 1.428 5.850 1.00 . A A . 5 LEU CD2 1 1 13 3556 1 1 5 LEU CG C 6.920 1.846 4.396 1.00 . A A . 5 LEU CG 1 1 13 3557 1 1 5 LEU H H 6.609 1.258 1.257 1.00 . A A . 5 LEU H 1 1 13 3558 1 1 5 LEU HA H 8.980 2.010 2.825 1.00 . A A . 5 LEU HA 1 1 13 3559 1 1 5 LEU HB2 H 6.700 0.062 3.209 1.00 . A A . 5 LEU HB2 1 1 13 3560 1 1 5 LEU HB3 H 8.108 0.063 4.273 1.00 . A A . 5 LEU HB3 1 1 13 3561 1 1 5 LEU HD11 H 5.778 2.898 2.910 1.00 . A A . 5 LEU HD11 1 1 13 3562 1 1 5 LEU HD12 H 5.025 2.851 4.505 1.00 . A A . 5 LEU HD12 1 1 13 3563 1 1 5 LEU HD13 H 5.021 1.408 3.487 1.00 . A A . 5 LEU HD13 1 1 13 3564 1 1 5 LEU HD21 H 6.293 0.426 5.878 1.00 . A A . 5 LEU HD21 1 1 13 3565 1 1 5 LEU HD22 H 5.998 2.108 6.318 1.00 . A A . 5 LEU HD22 1 1 13 3566 1 1 5 LEU HD23 H 7.635 1.455 6.382 1.00 . A A . 5 LEU HD23 1 1 13 3567 1 1 5 LEU HG H 7.613 2.672 4.363 1.00 . A A . 5 LEU HG 1 1 13 3568 1 1 5 LEU N N 7.503 1.649 1.364 1.00 . A A . 5 LEU N 1 1 13 3569 1 1 5 LEU O O 10.464 0.051 2.222 1.00 . A A . 5 LEU O 1 1 13 3570 1 1 6 ALA C C 10.739 -1.405 -0.099 1.00 . A A . 6 ALA C 1 1 13 3571 1 1 6 ALA CA C 9.548 -1.978 0.674 1.00 . A A . 6 ALA CA 1 1 13 3572 1 1 6 ALA CB C 8.689 -2.830 -0.267 1.00 . A A . 6 ALA CB 1 1 13 3573 1 1 6 ALA H H 7.766 -0.808 1.017 1.00 . A A . 6 ALA H 1 1 13 3574 1 1 6 ALA HA H 9.907 -2.588 1.488 1.00 . A A . 6 ALA HA 1 1 13 3575 1 1 6 ALA HB1 H 8.360 -2.229 -1.101 1.00 . A A . 6 ALA HB1 1 1 13 3576 1 1 6 ALA HB2 H 7.830 -3.205 0.269 1.00 . A A . 6 ALA HB2 1 1 13 3577 1 1 6 ALA HB3 H 9.274 -3.662 -0.633 1.00 . A A . 6 ALA HB3 1 1 13 3578 1 1 6 ALA N N 8.725 -0.856 1.218 1.00 . A A . 6 ALA N 1 1 13 3579 1 1 6 ALA O O 11.878 -1.781 0.121 1.00 . A A . 6 ALA O 1 1 13 3580 1 1 7 CGU C C 12.578 0.769 -0.794 1.00 . A A . 7 CGU C 1 1 13 3581 1 1 7 CGU CA C 11.590 0.131 -1.772 1.00 . A A . 7 CGU CA 1 1 13 3582 1 1 7 CGU CB C 11.008 1.200 -2.698 1.00 . A A . 7 CGU CB 1 1 13 3583 1 1 7 CGU CD1 C 9.212 1.551 -4.444 1.00 . A A . 7 CGU CD1 1 1 13 3584 1 1 7 CGU CD2 C 11.050 -0.085 -4.880 1.00 . A A . 7 CGU CD2 1 1 13 3585 1 1 7 CGU CG C 10.147 0.521 -3.787 1.00 . A A . 7 CGU CG 1 1 13 3586 1 1 7 CGU H H 9.561 -0.188 -1.143 1.00 . A A . 7 CGU H 1 1 13 3587 1 1 7 CGU HA H 12.090 -0.629 -2.356 1.00 . A A . 7 CGU HA 1 1 13 3588 1 1 7 CGU HB2 H 11.815 1.741 -3.165 1.00 . A A . 7 CGU HB2 1 1 13 3589 1 1 7 CGU HB3 H 10.402 1.890 -2.117 1.00 . A A . 7 CGU HB3 1 1 13 3590 1 1 7 CGU HG H 9.552 -0.271 -3.346 1.00 . A A . 7 CGU HG 1 1 13 3591 1 1 7 CGU N N 10.484 -0.484 -0.993 1.00 . A A . 7 CGU N 1 1 13 3592 1 1 7 CGU O O 13.772 0.533 -0.852 1.00 . A A . 7 CGU O 1 1 13 3593 1 1 7 CGU OE11 O 8.926 2.557 -3.819 1.00 . A A . 7 CGU OE11 1 1 13 3594 1 1 7 CGU OE12 O 8.784 1.302 -5.564 1.00 . A A . 7 CGU OE12 1 1 13 3595 1 1 7 CGU OE21 O 10.511 -0.730 -5.770 1.00 . A A . 7 CGU OE21 1 1 13 3596 1 1 7 CGU OE22 O 12.252 0.105 -4.816 1.00 . A A . 7 CGU OE22 1 1 13 3597 1 1 8 LYS C C 13.664 1.094 1.934 1.00 . A A . 8 LYS C 1 1 13 3598 1 1 8 LYS CA C 12.962 2.195 1.137 1.00 . A A . 8 LYS CA 1 1 13 3599 1 1 8 LYS CB C 12.110 3.053 2.076 1.00 . A A . 8 LYS CB 1 1 13 3600 1 1 8 LYS CD C 11.915 4.859 0.327 1.00 . A A . 8 LYS CD 1 1 13 3601 1 1 8 LYS CE C 10.827 5.932 0.322 1.00 . A A . 8 LYS CE 1 1 13 3602 1 1 8 LYS CG C 12.330 4.543 1.774 1.00 . A A . 8 LYS CG 1 1 13 3603 1 1 8 LYS H H 11.109 1.706 0.159 1.00 . A A . 8 LYS H 1 1 13 3604 1 1 8 LYS HA H 13.696 2.811 0.650 1.00 . A A . 8 LYS HA 1 1 13 3605 1 1 8 LYS HB2 H 11.069 2.805 1.938 1.00 . A A . 8 LYS HB2 1 1 13 3606 1 1 8 LYS HB3 H 12.393 2.851 3.099 1.00 . A A . 8 LYS HB3 1 1 13 3607 1 1 8 LYS HD2 H 12.773 5.224 -0.222 1.00 . A A . 8 LYS HD2 1 1 13 3608 1 1 8 LYS HD3 H 11.538 3.966 -0.148 1.00 . A A . 8 LYS HD3 1 1 13 3609 1 1 8 LYS HE2 H 11.146 6.772 0.924 1.00 . A A . 8 LYS HE2 1 1 13 3610 1 1 8 LYS HE3 H 10.656 6.265 -0.694 1.00 . A A . 8 LYS HE3 1 1 13 3611 1 1 8 LYS HG2 H 11.739 5.136 2.457 1.00 . A A . 8 LYS HG2 1 1 13 3612 1 1 8 LYS HG3 H 13.375 4.784 1.906 1.00 . A A . 8 LYS HG3 1 1 13 3613 1 1 8 LYS HZ1 H 9.563 4.321 0.769 1.00 . A A . 8 LYS HZ1 1 1 13 3614 1 1 8 LYS HZ2 H 8.745 5.772 0.355 1.00 . A A . 8 LYS HZ2 1 1 13 3615 1 1 8 LYS HZ3 H 9.487 5.608 1.887 1.00 . A A . 8 LYS HZ3 1 1 13 3616 1 1 8 LYS N N 12.077 1.555 0.124 1.00 . A A . 8 LYS N 1 1 13 3617 1 1 8 LYS NZ N 9.565 5.367 0.879 1.00 . A A . 8 LYS NZ 1 1 13 3618 1 1 8 LYS O O 14.862 1.133 2.151 1.00 . A A . 8 LYS O 1 1 13 3619 1 1 9 ALA C C 14.662 -1.653 2.341 1.00 . A A . 9 ALA C 1 1 13 3620 1 1 9 ALA CA C 13.517 -1.015 3.136 1.00 . A A . 9 ALA CA 1 1 13 3621 1 1 9 ALA CB C 12.436 -2.067 3.410 1.00 . A A . 9 ALA CB 1 1 13 3622 1 1 9 ALA H H 11.953 0.103 2.159 1.00 . A A . 9 ALA H 1 1 13 3623 1 1 9 ALA HA H 13.897 -0.640 4.074 1.00 . A A . 9 ALA HA 1 1 13 3624 1 1 9 ALA HB1 H 11.578 -1.592 3.862 1.00 . A A . 9 ALA HB1 1 1 13 3625 1 1 9 ALA HB2 H 12.826 -2.819 4.079 1.00 . A A . 9 ALA HB2 1 1 13 3626 1 1 9 ALA HB3 H 12.141 -2.531 2.480 1.00 . A A . 9 ALA HB3 1 1 13 3627 1 1 9 ALA N N 12.920 0.106 2.358 1.00 . A A . 9 ALA N 1 1 13 3628 1 1 9 ALA O O 15.743 -1.869 2.861 1.00 . A A . 9 ALA O 1 1 13 3629 1 1 10 CGU C C 16.615 -1.542 -0.023 1.00 . A A . 10 CGU C 1 1 13 3630 1 1 10 CGU CA C 15.524 -2.586 0.290 1.00 . A A . 10 CGU CA 1 1 13 3631 1 1 10 CGU CB C 14.944 -3.169 -1.011 1.00 . A A . 10 CGU CB 1 1 13 3632 1 1 10 CGU CD1 C 15.629 -3.472 -3.438 1.00 . A A . 10 CGU CD1 1 1 13 3633 1 1 10 CGU CD2 C 16.791 -4.770 -1.656 1.00 . A A . 10 CGU CD2 1 1 13 3634 1 1 10 CGU CG C 16.100 -3.431 -1.976 1.00 . A A . 10 CGU CG 1 1 13 3635 1 1 10 CGU H H 13.573 -1.784 0.675 1.00 . A A . 10 CGU H 1 1 13 3636 1 1 10 CGU HA H 15.966 -3.386 0.868 1.00 . A A . 10 CGU HA 1 1 13 3637 1 1 10 CGU HB2 H 14.253 -2.469 -1.453 1.00 . A A . 10 CGU HB2 1 1 13 3638 1 1 10 CGU HB3 H 14.431 -4.096 -0.795 1.00 . A A . 10 CGU HB3 1 1 13 3639 1 1 10 CGU HG H 16.806 -2.632 -1.863 1.00 . A A . 10 CGU HG 1 1 13 3640 1 1 10 CGU N N 14.443 -1.960 1.087 1.00 . A A . 10 CGU N 1 1 13 3641 1 1 10 CGU O O 17.790 -1.809 0.138 1.00 . A A . 10 CGU O 1 1 13 3642 1 1 10 CGU OE11 O 16.496 -3.552 -4.305 1.00 . A A . 10 CGU OE11 1 1 13 3643 1 1 10 CGU OE12 O 14.434 -3.432 -3.671 1.00 . A A . 10 CGU OE12 1 1 13 3644 1 1 10 CGU OE21 O 16.526 -5.327 -0.605 1.00 . A A . 10 CGU OE21 1 1 13 3645 1 1 10 CGU OE22 O 17.584 -5.216 -2.481 1.00 . A A . 10 CGU OE22 1 1 13 3646 1 1 11 PHE C C 18.055 0.960 0.526 1.00 . A A . 11 PHE C 1 1 13 3647 1 1 11 PHE CA C 17.292 0.674 -0.756 1.00 . A A . 11 PHE CA 1 1 13 3648 1 1 11 PHE CB C 16.603 1.931 -1.316 1.00 . A A . 11 PHE CB 1 1 13 3649 1 1 11 PHE CD1 C 17.323 3.647 0.428 1.00 . A A . 11 PHE CD1 1 1 13 3650 1 1 11 PHE CD2 C 17.873 4.038 -1.903 1.00 . A A . 11 PHE CD2 1 1 13 3651 1 1 11 PHE CE1 C 17.910 4.871 0.770 1.00 . A A . 11 PHE CE1 1 1 13 3652 1 1 11 PHE CE2 C 18.467 5.258 -1.556 1.00 . A A . 11 PHE CE2 1 1 13 3653 1 1 11 PHE CG C 17.300 3.225 -0.913 1.00 . A A . 11 PHE CG 1 1 13 3654 1 1 11 PHE CZ C 18.480 5.676 -0.221 1.00 . A A . 11 PHE CZ 1 1 13 3655 1 1 11 PHE H H 15.298 -0.139 -0.566 1.00 . A A . 11 PHE H 1 1 13 3656 1 1 11 PHE HA H 17.982 0.292 -1.493 1.00 . A A . 11 PHE HA 1 1 13 3657 1 1 11 PHE HB2 H 16.594 1.867 -2.393 1.00 . A A . 11 PHE HB2 1 1 13 3658 1 1 11 PHE HB3 H 15.588 1.954 -0.967 1.00 . A A . 11 PHE HB3 1 1 13 3659 1 1 11 PHE HD1 H 16.900 3.027 1.199 1.00 . A A . 11 PHE HD1 1 1 13 3660 1 1 11 PHE HD2 H 17.885 3.710 -2.931 1.00 . A A . 11 PHE HD2 1 1 13 3661 1 1 11 PHE HE1 H 17.925 5.193 1.802 1.00 . A A . 11 PHE HE1 1 1 13 3662 1 1 11 PHE HE2 H 18.907 5.881 -2.321 1.00 . A A . 11 PHE HE2 1 1 13 3663 1 1 11 PHE HZ H 18.931 6.622 0.045 1.00 . A A . 11 PHE HZ 1 1 13 3664 1 1 11 PHE N N 16.250 -0.357 -0.455 1.00 . A A . 11 PHE N 1 1 13 3665 1 1 11 PHE O O 19.259 1.094 0.520 1.00 . A A . 11 PHE O 1 1 13 3666 1 1 12 ALA C C 19.200 0.252 3.098 1.00 . A A . 12 ALA C 1 1 13 3667 1 1 12 ALA CA C 18.072 1.278 2.913 1.00 . A A . 12 ALA CA 1 1 13 3668 1 1 12 ALA CB C 17.073 1.168 4.068 1.00 . A A . 12 ALA CB 1 1 13 3669 1 1 12 ALA H H 16.395 0.886 1.620 1.00 . A A . 12 ALA H 1 1 13 3670 1 1 12 ALA HA H 18.492 2.274 2.893 1.00 . A A . 12 ALA HA 1 1 13 3671 1 1 12 ALA HB1 H 16.515 0.248 3.976 1.00 . A A . 12 ALA HB1 1 1 13 3672 1 1 12 ALA HB2 H 16.391 2.006 4.035 1.00 . A A . 12 ALA HB2 1 1 13 3673 1 1 12 ALA HB3 H 17.603 1.175 5.008 1.00 . A A . 12 ALA HB3 1 1 13 3674 1 1 12 ALA N N 17.372 1.020 1.632 1.00 . A A . 12 ALA N 1 1 13 3675 1 1 12 ALA O O 20.261 0.580 3.586 1.00 . A A . 12 ALA O 1 1 13 3676 1 1 13 ARG C C 21.220 -1.733 1.910 1.00 . A A . 13 ARG C 1 1 13 3677 1 1 13 ARG CA C 20.060 -2.010 2.880 1.00 . A A . 13 ARG CA 1 1 13 3678 1 1 13 ARG CB C 19.482 -3.406 2.627 1.00 . A A . 13 ARG CB 1 1 13 3679 1 1 13 ARG CD C 21.276 -5.015 1.931 1.00 . A A . 13 ARG CD 1 1 13 3680 1 1 13 ARG CG C 20.474 -4.469 3.115 1.00 . A A . 13 ARG CG 1 1 13 3681 1 1 13 ARG CZ C 23.399 -5.677 2.895 1.00 . A A . 13 ARG CZ 1 1 13 3682 1 1 13 ARG H H 18.120 -1.232 2.310 1.00 . A A . 13 ARG H 1 1 13 3683 1 1 13 ARG HA H 20.436 -1.961 3.893 1.00 . A A . 13 ARG HA 1 1 13 3684 1 1 13 ARG HB2 H 18.549 -3.509 3.164 1.00 . A A . 13 ARG HB2 1 1 13 3685 1 1 13 ARG HB3 H 19.302 -3.537 1.572 1.00 . A A . 13 ARG HB3 1 1 13 3686 1 1 13 ARG HD2 H 20.601 -5.466 1.216 1.00 . A A . 13 ARG HD2 1 1 13 3687 1 1 13 ARG HD3 H 21.813 -4.206 1.454 1.00 . A A . 13 ARG HD3 1 1 13 3688 1 1 13 ARG HE H 22.014 -6.991 2.390 1.00 . A A . 13 ARG HE 1 1 13 3689 1 1 13 ARG HG2 H 21.149 -4.027 3.834 1.00 . A A . 13 ARG HG2 1 1 13 3690 1 1 13 ARG HG3 H 19.932 -5.277 3.583 1.00 . A A . 13 ARG HG3 1 1 13 3691 1 1 13 ARG HH11 H 24.366 -5.991 1.192 1.00 . A A . 13 ARG HH11 1 1 13 3692 1 1 13 ARG HH12 H 25.335 -5.406 2.517 1.00 . A A . 13 ARG HH12 1 1 13 3693 1 1 13 ARG HH21 H 22.702 -5.278 4.710 1.00 . A A . 13 ARG HH21 1 1 13 3694 1 1 13 ARG HH22 H 24.398 -5.017 4.479 1.00 . A A . 13 ARG HH22 1 1 13 3695 1 1 13 ARG N N 18.986 -0.982 2.711 1.00 . A A . 13 ARG N 1 1 13 3696 1 1 13 ARG NE N 22.247 -6.040 2.421 1.00 . A A . 13 ARG NE 1 1 13 3697 1 1 13 ARG NH1 N 24.443 -5.696 2.141 1.00 . A A . 13 ARG NH1 1 1 13 3698 1 1 13 ARG NH2 N 23.506 -5.294 4.121 1.00 . A A . 13 ARG NH2 1 1 13 3699 1 1 13 ARG O O 22.330 -1.453 2.329 1.00 . A A . 13 ARG O 1 1 13 3700 1 1 14 CGU C C 22.684 -0.158 -0.060 1.00 . A A . 14 CGU C 1 1 13 3701 1 1 14 CGU CA C 22.074 -1.529 -0.356 1.00 . A A . 14 CGU CA 1 1 13 3702 1 1 14 CGU CB C 21.497 -1.536 -1.774 1.00 . A A . 14 CGU CB 1 1 13 3703 1 1 14 CGU CD1 C 19.690 -3.244 -1.768 1.00 . A A . 14 CGU CD1 1 1 13 3704 1 1 14 CGU CD2 C 21.261 -3.173 -3.696 1.00 . A A . 14 CGU CD2 1 1 13 3705 1 1 14 CGU CG C 21.134 -2.973 -2.171 1.00 . A A . 14 CGU CG 1 1 13 3706 1 1 14 CGU H H 20.084 -2.022 0.297 1.00 . A A . 14 CGU H 1 1 13 3707 1 1 14 CGU HA H 22.837 -2.289 -0.270 1.00 . A A . 14 CGU HA 1 1 13 3708 1 1 14 CGU HB2 H 22.223 -1.142 -2.460 1.00 . A A . 14 CGU HB2 1 1 13 3709 1 1 14 CGU HB3 H 20.607 -0.919 -1.800 1.00 . A A . 14 CGU HB3 1 1 13 3710 1 1 14 CGU HG H 21.786 -3.663 -1.659 1.00 . A A . 14 CGU HG 1 1 13 3711 1 1 14 CGU N N 20.980 -1.799 0.622 1.00 . A A . 14 CGU N 1 1 13 3712 1 1 14 CGU O O 23.858 0.071 -0.267 1.00 . A A . 14 CGU O 1 1 13 3713 1 1 14 CGU OE11 O 19.486 -3.901 -0.766 1.00 . A A . 14 CGU OE11 1 1 13 3714 1 1 14 CGU OE12 O 18.810 -2.795 -2.485 1.00 . A A . 14 CGU OE12 1 1 13 3715 1 1 14 CGU OE21 O 20.392 -3.831 -4.270 1.00 . A A . 14 CGU OE21 1 1 13 3716 1 1 14 CGU OE22 O 22.219 -2.679 -4.264 1.00 . A A . 14 CGU OE22 1 1 13 3717 1 1 15 LEU C C 23.111 2.092 2.090 1.00 . A A . 15 LEU C 1 1 13 3718 1 1 15 LEU CA C 22.387 2.117 0.740 1.00 . A A . 15 LEU CA 1 1 13 3719 1 1 15 LEU CB C 21.203 3.081 0.798 1.00 . A A . 15 LEU CB 1 1 13 3720 1 1 15 LEU CD1 C 21.203 4.647 -1.151 1.00 . A A . 15 LEU CD1 1 1 13 3721 1 1 15 LEU CD2 C 20.977 2.214 -1.590 1.00 . A A . 15 LEU CD2 1 1 13 3722 1 1 15 LEU CG C 20.641 3.343 -0.606 1.00 . A A . 15 LEU CG 1 1 13 3723 1 1 15 LEU H H 20.935 0.538 0.579 1.00 . A A . 15 LEU H 1 1 13 3724 1 1 15 LEU HA H 23.070 2.440 -0.027 1.00 . A A . 15 LEU HA 1 1 13 3725 1 1 15 LEU HB2 H 20.423 2.657 1.413 1.00 . A A . 15 LEU HB2 1 1 13 3726 1 1 15 LEU HB3 H 21.522 4.017 1.228 1.00 . A A . 15 LEU HB3 1 1 13 3727 1 1 15 LEU HD11 H 20.791 4.828 -2.132 1.00 . A A . 15 LEU HD11 1 1 13 3728 1 1 15 LEU HD12 H 22.275 4.578 -1.215 1.00 . A A . 15 LEU HD12 1 1 13 3729 1 1 15 LEU HD13 H 20.929 5.457 -0.491 1.00 . A A . 15 LEU HD13 1 1 13 3730 1 1 15 LEU HD21 H 22.046 2.114 -1.679 1.00 . A A . 15 LEU HD21 1 1 13 3731 1 1 15 LEU HD22 H 20.557 2.450 -2.556 1.00 . A A . 15 LEU HD22 1 1 13 3732 1 1 15 LEU HD23 H 20.552 1.288 -1.236 1.00 . A A . 15 LEU HD23 1 1 13 3733 1 1 15 LEU HG H 19.582 3.429 -0.526 1.00 . A A . 15 LEU HG 1 1 13 3734 1 1 15 LEU N N 21.883 0.752 0.425 1.00 . A A . 15 LEU N 1 1 13 3735 1 1 15 LEU O O 24.263 2.466 2.191 1.00 . A A . 15 LEU O 1 1 13 3736 1 1 16 ALA C C 24.391 0.720 4.347 1.00 . A A . 16 ALA C 1 1 13 3737 1 1 16 ALA CA C 23.125 1.578 4.459 1.00 . A A . 16 ALA CA 1 1 13 3738 1 1 16 ALA CB C 22.169 0.958 5.483 1.00 . A A . 16 ALA CB 1 1 13 3739 1 1 16 ALA H H 21.528 1.318 3.028 1.00 . A A . 16 ALA H 1 1 13 3740 1 1 16 ALA HA H 23.394 2.577 4.771 1.00 . A A . 16 ALA HA 1 1 13 3741 1 1 16 ALA HB1 H 22.641 0.942 6.455 1.00 . A A . 16 ALA HB1 1 1 13 3742 1 1 16 ALA HB2 H 21.926 -0.052 5.185 1.00 . A A . 16 ALA HB2 1 1 13 3743 1 1 16 ALA HB3 H 21.264 1.546 5.532 1.00 . A A . 16 ALA HB3 1 1 13 3744 1 1 16 ALA N N 22.457 1.635 3.127 1.00 . A A . 16 ALA N 1 1 13 3745 1 1 16 ALA O O 25.361 0.929 5.050 1.00 . A A . 16 ALA O 1 1 13 3746 1 1 17 ASN C C 26.500 -0.491 2.203 1.00 . A A . 17 ASN C 1 1 13 3747 1 1 17 ASN CA C 25.599 -1.101 3.282 1.00 . A A . 17 ASN CA 1 1 13 3748 1 1 17 ASN CB C 25.158 -2.518 2.866 1.00 . A A . 17 ASN CB 1 1 13 3749 1 1 17 ASN CG C 26.304 -3.517 3.052 1.00 . A A . 17 ASN CG 1 1 13 3750 1 1 17 ASN H H 23.598 -0.369 2.886 1.00 . A A . 17 ASN H 1 1 13 3751 1 1 17 ASN HA H 26.144 -1.152 4.215 1.00 . A A . 17 ASN HA 1 1 13 3752 1 1 17 ASN HB2 H 24.324 -2.831 3.479 1.00 . A A . 17 ASN HB2 1 1 13 3753 1 1 17 ASN HB3 H 24.858 -2.511 1.829 1.00 . A A . 17 ASN HB3 1 1 13 3754 1 1 17 ASN HD21 H 27.722 -2.243 2.481 1.00 . A A . 17 ASN HD21 1 1 13 3755 1 1 17 ASN HD22 H 28.261 -3.804 2.930 1.00 . A A . 17 ASN HD22 1 1 13 3756 1 1 17 ASN N N 24.391 -0.232 3.454 1.00 . A A . 17 ASN N 1 1 13 3757 1 1 17 ASN ND2 N 27.529 -3.161 2.800 1.00 . A A . 17 ASN ND2 1 1 13 3758 1 1 17 ASN O O 27.571 -0.989 1.917 1.00 . A A . 17 ASN O 1 1 13 3759 1 1 17 ASN OD1 O 26.069 -4.654 3.414 1.00 . A A . 17 ASN OD1 1 1 13 3760 1 1 18 TYR C C 28.215 1.739 1.116 1.00 . A A . 18 TYR C 1 1 13 3761 1 1 18 TYR CA C 26.887 1.231 0.535 1.00 . A A . 18 TYR CA 1 1 13 3762 1 1 18 TYR CB C 26.102 2.407 -0.057 1.00 . A A . 18 TYR CB 1 1 13 3763 1 1 18 TYR CD1 C 26.442 2.040 -2.528 1.00 . A A . 18 TYR CD1 1 1 13 3764 1 1 18 TYR CD2 C 27.536 3.930 -1.472 1.00 . A A . 18 TYR CD2 1 1 13 3765 1 1 18 TYR CE1 C 27.007 2.401 -3.755 1.00 . A A . 18 TYR CE1 1 1 13 3766 1 1 18 TYR CE2 C 28.098 4.288 -2.702 1.00 . A A . 18 TYR CE2 1 1 13 3767 1 1 18 TYR CG C 26.706 2.805 -1.384 1.00 . A A . 18 TYR CG 1 1 13 3768 1 1 18 TYR CZ C 27.832 3.520 -3.841 1.00 . A A . 18 TYR CZ 1 1 13 3769 1 1 18 TYR H H 25.201 0.970 1.851 1.00 . A A . 18 TYR H 1 1 13 3770 1 1 18 TYR HA H 27.091 0.506 -0.240 1.00 . A A . 18 TYR HA 1 1 13 3771 1 1 18 TYR HB2 H 25.073 2.112 -0.201 1.00 . A A . 18 TYR HB2 1 1 13 3772 1 1 18 TYR HB3 H 26.140 3.244 0.624 1.00 . A A . 18 TYR HB3 1 1 13 3773 1 1 18 TYR HD1 H 25.803 1.175 -2.466 1.00 . A A . 18 TYR HD1 1 1 13 3774 1 1 18 TYR HD2 H 27.738 4.525 -0.595 1.00 . A A . 18 TYR HD2 1 1 13 3775 1 1 18 TYR HE1 H 26.806 1.813 -4.639 1.00 . A A . 18 TYR HE1 1 1 13 3776 1 1 18 TYR HE2 H 28.740 5.153 -2.774 1.00 . A A . 18 TYR HE2 1 1 13 3777 1 1 18 TYR HH H 27.986 4.698 -5.326 1.00 . A A . 18 TYR HH 1 1 13 3778 1 1 18 TYR N N 26.070 0.586 1.602 1.00 . A A . 18 TYR N 1 1 13 3779 1 1 18 TYR O O 29.253 1.609 0.503 1.00 . A A . 18 TYR O 1 1 13 3780 1 1 18 TYR OH O 28.384 3.870 -5.050 1.00 . A A . 18 TYR OH 1 1 13 3781 1 1 19 NH2 HN1 H 27.382 2.436 2.779 1.00 . A A . 19 NH2 HN1 1 1 13 3782 1 1 19 NH2 HN2 H 29.075 2.665 2.647 1.00 . A A . 19 NH2 HN2 1 1 13 3783 1 1 19 NH2 N N 28.225 2.328 2.276 1.00 . A A . 19 NH2 N 1 1 14 3784 1 1 1 GLY C C 3.203 1.351 0.585 1.00 . A A . 1 GLY C 1 1 14 3785 1 1 1 GLY CA C 2.099 2.368 0.287 1.00 . A A . 1 GLY CA 1 1 14 3786 1 1 1 GLY H1 H 0.841 0.870 -0.482 1.00 . A A . 1 GLY H1 1 1 14 3787 1 1 1 GLY H2 H 1.729 1.718 -1.666 1.00 . A A . 1 GLY H2 1 1 14 3788 1 1 1 GLY H3 H 0.390 2.455 -0.919 1.00 . A A . 1 GLY H3 1 1 14 3789 1 1 1 GLY HA2 H 2.544 3.292 -0.059 1.00 . A A . 1 GLY HA2 1 1 14 3790 1 1 1 GLY HA3 H 1.530 2.556 1.186 1.00 . A A . 1 GLY HA3 1 1 14 3791 1 1 1 GLY N N 1.197 1.815 -0.774 1.00 . A A . 1 GLY N 1 1 14 3792 1 1 1 GLY O O 4.376 1.662 0.559 1.00 . A A . 1 GLY O 1 1 14 3793 1 1 2 GLU C C 5.016 -0.847 0.191 1.00 . A A . 2 GLU C 1 1 14 3794 1 1 2 GLU CA C 3.785 -0.968 1.106 1.00 . A A . 2 GLU CA 1 1 14 3795 1 1 2 GLU CB C 3.068 -2.305 0.843 1.00 . A A . 2 GLU CB 1 1 14 3796 1 1 2 GLU CD C 1.914 -1.032 -1.045 1.00 . A A . 2 GLU CD 1 1 14 3797 1 1 2 GLU CG C 2.531 -2.373 -0.610 1.00 . A A . 2 GLU CG 1 1 14 3798 1 1 2 GLU H H 1.853 -0.078 0.820 1.00 . A A . 2 GLU H 1 1 14 3799 1 1 2 GLU HA H 4.100 -0.928 2.137 1.00 . A A . 2 GLU HA 1 1 14 3800 1 1 2 GLU HB2 H 3.762 -3.118 1.003 1.00 . A A . 2 GLU HB2 1 1 14 3801 1 1 2 GLU HB3 H 2.241 -2.405 1.530 1.00 . A A . 2 GLU HB3 1 1 14 3802 1 1 2 GLU HG2 H 3.341 -2.622 -1.279 1.00 . A A . 2 GLU HG2 1 1 14 3803 1 1 2 GLU HG3 H 1.776 -3.144 -0.672 1.00 . A A . 2 GLU HG3 1 1 14 3804 1 1 2 GLU N N 2.814 0.133 0.835 1.00 . A A . 2 GLU N 1 1 14 3805 1 1 2 GLU O O 6.151 -0.895 0.643 1.00 . A A . 2 GLU O 1 1 14 3806 1 1 2 GLU OE1 O 2.508 -0.373 -1.881 1.00 . A A . 2 GLU OE1 1 1 14 3807 1 1 2 GLU OE2 O 0.880 -0.661 -0.509 1.00 . A A . 2 GLU OE2 1 1 14 3808 1 1 3 CGU C C 6.812 0.624 -1.631 1.00 . A A . 3 CGU C 1 1 14 3809 1 1 3 CGU CA C 5.945 -0.570 -2.037 1.00 . A A . 3 CGU CA 1 1 14 3810 1 1 3 CGU CB C 5.405 -0.363 -3.473 1.00 . A A . 3 CGU CB 1 1 14 3811 1 1 3 CGU CD1 C 7.501 -1.379 -4.472 1.00 . A A . 3 CGU CD1 1 1 14 3812 1 1 3 CGU CD2 C 6.092 0.121 -5.863 1.00 . A A . 3 CGU CD2 1 1 14 3813 1 1 3 CGU CG C 6.585 -0.143 -4.433 1.00 . A A . 3 CGU CG 1 1 14 3814 1 1 3 CGU H H 3.875 -0.654 -1.430 1.00 . A A . 3 CGU H 1 1 14 3815 1 1 3 CGU HA H 6.548 -1.470 -1.986 1.00 . A A . 3 CGU HA 1 1 14 3816 1 1 3 CGU HB2 H 4.771 0.513 -3.488 1.00 . A A . 3 CGU HB2 1 1 14 3817 1 1 3 CGU HB3 H 4.825 -1.227 -3.794 1.00 . A A . 3 CGU HB3 1 1 14 3818 1 1 3 CGU HG H 7.150 0.709 -4.097 1.00 . A A . 3 CGU HG 1 1 14 3819 1 1 3 CGU N N 4.801 -0.691 -1.090 1.00 . A A . 3 CGU N 1 1 14 3820 1 1 3 CGU O O 8.027 0.550 -1.648 1.00 . A A . 3 CGU O 1 1 14 3821 1 1 3 CGU OE11 O 8.579 -1.267 -5.037 1.00 . A A . 3 CGU OE11 1 1 14 3822 1 1 3 CGU OE12 O 7.113 -2.414 -3.959 1.00 . A A . 3 CGU OE12 1 1 14 3823 1 1 3 CGU OE21 O 6.936 0.161 -6.753 1.00 . A A . 3 CGU OE21 1 1 14 3824 1 1 3 CGU OE22 O 4.898 0.281 -6.051 1.00 . A A . 3 CGU OE22 1 1 14 3825 1 1 4 CGU C C 7.845 2.495 0.378 1.00 . A A . 4 CGU C 1 1 14 3826 1 1 4 CGU CA C 6.996 2.899 -0.823 1.00 . A A . 4 CGU CA 1 1 14 3827 1 1 4 CGU CB C 6.052 4.046 -0.443 1.00 . A A . 4 CGU CB 1 1 14 3828 1 1 4 CGU CD1 C 7.796 5.763 -1.044 1.00 . A A . 4 CGU CD1 1 1 14 3829 1 1 4 CGU CD2 C 5.399 6.421 -0.966 1.00 . A A . 4 CGU CD2 1 1 14 3830 1 1 4 CGU CG C 6.364 5.279 -1.308 1.00 . A A . 4 CGU CG 1 1 14 3831 1 1 4 CGU H H 5.223 1.744 -1.225 1.00 . A A . 4 CGU H 1 1 14 3832 1 1 4 CGU HA H 7.643 3.208 -1.631 1.00 . A A . 4 CGU HA 1 1 14 3833 1 1 4 CGU HB2 H 6.188 4.300 0.600 1.00 . A A . 4 CGU HB2 1 1 14 3834 1 1 4 CGU HB3 H 5.029 3.740 -0.611 1.00 . A A . 4 CGU HB3 1 1 14 3835 1 1 4 CGU HG H 6.259 5.021 -2.351 1.00 . A A . 4 CGU HG 1 1 14 3836 1 1 4 CGU N N 6.202 1.714 -1.249 1.00 . A A . 4 CGU N 1 1 14 3837 1 1 4 CGU O O 9.036 2.737 0.422 1.00 . A A . 4 CGU O 1 1 14 3838 1 1 4 CGU OE11 O 8.410 6.267 -1.970 1.00 . A A . 4 CGU OE11 1 1 14 3839 1 1 4 CGU OE12 O 8.259 5.632 0.082 1.00 . A A . 4 CGU OE12 1 1 14 3840 1 1 4 CGU OE21 O 4.794 6.372 0.094 1.00 . A A . 4 CGU OE21 1 1 14 3841 1 1 4 CGU OE22 O 5.283 7.328 -1.773 1.00 . A A . 4 CGU OE22 1 1 14 3842 1 1 5 LEU C C 9.038 0.347 2.050 1.00 . A A . 5 LEU C 1 1 14 3843 1 1 5 LEU CA C 8.024 1.388 2.522 1.00 . A A . 5 LEU CA 1 1 14 3844 1 1 5 LEU CB C 7.076 0.762 3.550 1.00 . A A . 5 LEU CB 1 1 14 3845 1 1 5 LEU CD1 C 5.151 2.371 3.664 1.00 . A A . 5 LEU CD1 1 1 14 3846 1 1 5 LEU CD2 C 6.011 1.302 5.746 1.00 . A A . 5 LEU CD2 1 1 14 3847 1 1 5 LEU CG C 6.405 1.864 4.381 1.00 . A A . 5 LEU CG 1 1 14 3848 1 1 5 LEU H H 6.292 1.628 1.272 1.00 . A A . 5 LEU H 1 1 14 3849 1 1 5 LEU HA H 8.544 2.227 2.964 1.00 . A A . 5 LEU HA 1 1 14 3850 1 1 5 LEU HB2 H 6.321 0.185 3.035 1.00 . A A . 5 LEU HB2 1 1 14 3851 1 1 5 LEU HB3 H 7.638 0.114 4.205 1.00 . A A . 5 LEU HB3 1 1 14 3852 1 1 5 LEU HD11 H 5.413 3.201 3.025 1.00 . A A . 5 LEU HD11 1 1 14 3853 1 1 5 LEU HD12 H 4.426 2.697 4.396 1.00 . A A . 5 LEU HD12 1 1 14 3854 1 1 5 LEU HD13 H 4.728 1.577 3.069 1.00 . A A . 5 LEU HD13 1 1 14 3855 1 1 5 LEU HD21 H 6.890 0.925 6.249 1.00 . A A . 5 LEU HD21 1 1 14 3856 1 1 5 LEU HD22 H 5.302 0.498 5.611 1.00 . A A . 5 LEU HD22 1 1 14 3857 1 1 5 LEU HD23 H 5.562 2.083 6.341 1.00 . A A . 5 LEU HD23 1 1 14 3858 1 1 5 LEU HG H 7.096 2.685 4.515 1.00 . A A . 5 LEU HG 1 1 14 3859 1 1 5 LEU N N 7.247 1.843 1.342 1.00 . A A . 5 LEU N 1 1 14 3860 1 1 5 LEU O O 10.213 0.412 2.371 1.00 . A A . 5 LEU O 1 1 14 3861 1 1 6 ALA C C 10.704 -0.973 0.061 1.00 . A A . 6 ALA C 1 1 14 3862 1 1 6 ALA CA C 9.514 -1.651 0.749 1.00 . A A . 6 ALA CA 1 1 14 3863 1 1 6 ALA CB C 8.766 -2.531 -0.257 1.00 . A A . 6 ALA CB 1 1 14 3864 1 1 6 ALA H H 7.635 -0.622 1.016 1.00 . A A . 6 ALA H 1 1 14 3865 1 1 6 ALA HA H 9.870 -2.260 1.568 1.00 . A A . 6 ALA HA 1 1 14 3866 1 1 6 ALA HB1 H 9.423 -3.312 -0.612 1.00 . A A . 6 ALA HB1 1 1 14 3867 1 1 6 ALA HB2 H 8.439 -1.927 -1.090 1.00 . A A . 6 ALA HB2 1 1 14 3868 1 1 6 ALA HB3 H 7.906 -2.975 0.224 1.00 . A A . 6 ALA HB3 1 1 14 3869 1 1 6 ALA N N 8.589 -0.604 1.270 1.00 . A A . 6 ALA N 1 1 14 3870 1 1 6 ALA O O 11.850 -1.275 0.339 1.00 . A A . 6 ALA O 1 1 14 3871 1 1 7 CGU C C 12.448 1.334 -0.480 1.00 . A A . 7 CGU C 1 1 14 3872 1 1 7 CGU CA C 11.547 0.664 -1.524 1.00 . A A . 7 CGU CA 1 1 14 3873 1 1 7 CGU CB C 10.954 1.731 -2.450 1.00 . A A . 7 CGU CB 1 1 14 3874 1 1 7 CGU CD1 C 9.225 2.037 -4.276 1.00 . A A . 7 CGU CD1 1 1 14 3875 1 1 7 CGU CD2 C 11.245 0.642 -4.724 1.00 . A A . 7 CGU CD2 1 1 14 3876 1 1 7 CGU CG C 10.230 1.057 -3.642 1.00 . A A . 7 CGU CG 1 1 14 3877 1 1 7 CGU H H 9.506 0.191 -1.026 1.00 . A A . 7 CGU H 1 1 14 3878 1 1 7 CGU HA H 12.124 -0.044 -2.105 1.00 . A A . 7 CGU HA 1 1 14 3879 1 1 7 CGU HB2 H 11.749 2.353 -2.824 1.00 . A A . 7 CGU HB2 1 1 14 3880 1 1 7 CGU HB3 H 10.255 2.343 -1.888 1.00 . A A . 7 CGU HB3 1 1 14 3881 1 1 7 CGU HG H 9.700 0.174 -3.300 1.00 . A A . 7 CGU HG 1 1 14 3882 1 1 7 CGU N N 10.440 -0.047 -0.826 1.00 . A A . 7 CGU N 1 1 14 3883 1 1 7 CGU O O 13.637 1.075 -0.408 1.00 . A A . 7 CGU O 1 1 14 3884 1 1 7 CGU OE11 O 8.787 1.769 -5.388 1.00 . A A . 7 CGU OE11 1 1 14 3885 1 1 7 CGU OE12 O 8.906 3.033 -3.648 1.00 . A A . 7 CGU OE12 1 1 14 3886 1 1 7 CGU OE21 O 10.811 0.118 -5.744 1.00 . A A . 7 CGU OE21 1 1 14 3887 1 1 7 CGU OE22 O 12.428 0.852 -4.525 1.00 . A A . 7 CGU OE22 1 1 14 3888 1 1 8 LYS C C 13.359 1.845 2.291 1.00 . A A . 8 LYS C 1 1 14 3889 1 1 8 LYS CA C 12.682 2.882 1.391 1.00 . A A . 8 LYS CA 1 1 14 3890 1 1 8 LYS CB C 11.750 3.757 2.234 1.00 . A A . 8 LYS CB 1 1 14 3891 1 1 8 LYS CD C 12.007 5.821 0.834 1.00 . A A . 8 LYS CD 1 1 14 3892 1 1 8 LYS CE C 11.533 6.382 -0.507 1.00 . A A . 8 LYS CE 1 1 14 3893 1 1 8 LYS CG C 11.021 4.759 1.331 1.00 . A A . 8 LYS CG 1 1 14 3894 1 1 8 LYS H H 10.922 2.373 0.261 1.00 . A A . 8 LYS H 1 1 14 3895 1 1 8 LYS HA H 13.432 3.502 0.929 1.00 . A A . 8 LYS HA 1 1 14 3896 1 1 8 LYS HB2 H 11.026 3.130 2.736 1.00 . A A . 8 LYS HB2 1 1 14 3897 1 1 8 LYS HB3 H 12.331 4.294 2.969 1.00 . A A . 8 LYS HB3 1 1 14 3898 1 1 8 LYS HD2 H 12.064 6.617 1.558 1.00 . A A . 8 LYS HD2 1 1 14 3899 1 1 8 LYS HD3 H 12.984 5.380 0.711 1.00 . A A . 8 LYS HD3 1 1 14 3900 1 1 8 LYS HE2 H 12.241 7.118 -0.860 1.00 . A A . 8 LYS HE2 1 1 14 3901 1 1 8 LYS HE3 H 11.461 5.579 -1.229 1.00 . A A . 8 LYS HE3 1 1 14 3902 1 1 8 LYS HG2 H 10.596 4.239 0.486 1.00 . A A . 8 LYS HG2 1 1 14 3903 1 1 8 LYS HG3 H 10.232 5.238 1.893 1.00 . A A . 8 LYS HG3 1 1 14 3904 1 1 8 LYS HZ1 H 9.556 6.354 0.174 1.00 . A A . 8 LYS HZ1 1 1 14 3905 1 1 8 LYS HZ2 H 9.784 7.227 -1.269 1.00 . A A . 8 LYS HZ2 1 1 14 3906 1 1 8 LYS HZ3 H 10.289 7.892 0.216 1.00 . A A . 8 LYS HZ3 1 1 14 3907 1 1 8 LYS N N 11.882 2.189 0.337 1.00 . A A . 8 LYS N 1 1 14 3908 1 1 8 LYS NZ N 10.195 7.015 -0.332 1.00 . A A . 8 LYS NZ 1 1 14 3909 1 1 8 LYS O O 14.525 1.959 2.621 1.00 . A A . 8 LYS O 1 1 14 3910 1 1 9 ALA C C 14.351 -0.959 2.840 1.00 . A A . 9 ALA C 1 1 14 3911 1 1 9 ALA CA C 13.230 -0.208 3.575 1.00 . A A . 9 ALA CA 1 1 14 3912 1 1 9 ALA CB C 12.135 -1.198 3.984 1.00 . A A . 9 ALA CB 1 1 14 3913 1 1 9 ALA H H 11.690 0.765 2.413 1.00 . A A . 9 ALA H 1 1 14 3914 1 1 9 ALA HA H 13.635 0.261 4.460 1.00 . A A . 9 ALA HA 1 1 14 3915 1 1 9 ALA HB1 H 12.434 -1.716 4.884 1.00 . A A . 9 ALA HB1 1 1 14 3916 1 1 9 ALA HB2 H 11.980 -1.914 3.190 1.00 . A A . 9 ALA HB2 1 1 14 3917 1 1 9 ALA HB3 H 11.216 -0.662 4.168 1.00 . A A . 9 ALA HB3 1 1 14 3918 1 1 9 ALA N N 12.635 0.835 2.691 1.00 . A A . 9 ALA N 1 1 14 3919 1 1 9 ALA O O 15.357 -1.323 3.431 1.00 . A A . 9 ALA O 1 1 14 3920 1 1 10 CGU C C 16.365 -1.012 0.398 1.00 . A A . 10 CGU C 1 1 14 3921 1 1 10 CGU CA C 15.234 -1.958 0.829 1.00 . A A . 10 CGU CA 1 1 14 3922 1 1 10 CGU CB C 14.586 -2.623 -0.387 1.00 . A A . 10 CGU CB 1 1 14 3923 1 1 10 CGU CD1 C 15.043 -3.597 -2.655 1.00 . A A . 10 CGU CD1 1 1 14 3924 1 1 10 CGU CD2 C 16.469 -4.276 -0.705 1.00 . A A . 10 CGU CD2 1 1 14 3925 1 1 10 CGU CG C 15.676 -3.112 -1.337 1.00 . A A . 10 CGU CG 1 1 14 3926 1 1 10 CGU H H 13.374 -0.932 1.104 1.00 . A A . 10 CGU H 1 1 14 3927 1 1 10 CGU HA H 15.643 -2.722 1.472 1.00 . A A . 10 CGU HA 1 1 14 3928 1 1 10 CGU HB2 H 13.960 -1.906 -0.897 1.00 . A A . 10 CGU HB2 1 1 14 3929 1 1 10 CGU HB3 H 13.985 -3.459 -0.062 1.00 . A A . 10 CGU HB3 1 1 14 3930 1 1 10 CGU HG H 16.342 -2.292 -1.534 1.00 . A A . 10 CGU HG 1 1 14 3931 1 1 10 CGU N N 14.189 -1.214 1.569 1.00 . A A . 10 CGU N 1 1 14 3932 1 1 10 CGU O O 17.527 -1.370 0.453 1.00 . A A . 10 CGU O 1 1 14 3933 1 1 10 CGU OE11 O 15.581 -4.524 -3.251 1.00 . A A . 10 CGU OE11 1 1 14 3934 1 1 10 CGU OE12 O 14.036 -3.034 -3.052 1.00 . A A . 10 CGU OE12 1 1 14 3935 1 1 10 CGU OE21 O 16.149 -4.672 0.404 1.00 . A A . 10 CGU OE21 1 1 14 3936 1 1 10 CGU OE22 O 17.389 -4.756 -1.353 1.00 . A A . 10 CGU OE22 1 1 14 3937 1 1 11 PHE C C 18.105 1.243 0.763 1.00 . A A . 11 PHE C 1 1 14 3938 1 1 11 PHE CA C 17.134 1.149 -0.405 1.00 . A A . 11 PHE CA 1 1 14 3939 1 1 11 PHE CB C 16.506 2.507 -0.757 1.00 . A A . 11 PHE CB 1 1 14 3940 1 1 11 PHE CD1 C 17.229 3.891 1.237 1.00 . A A . 11 PHE CD1 1 1 14 3941 1 1 11 PHE CD2 C 17.953 4.566 -0.972 1.00 . A A . 11 PHE CD2 1 1 14 3942 1 1 11 PHE CE1 C 17.884 4.996 1.793 1.00 . A A . 11 PHE CE1 1 1 14 3943 1 1 11 PHE CE2 C 18.613 5.669 -0.415 1.00 . A A . 11 PHE CE2 1 1 14 3944 1 1 11 PHE CG C 17.262 3.674 -0.145 1.00 . A A . 11 PHE CG 1 1 14 3945 1 1 11 PHE CZ C 18.575 5.887 0.966 1.00 . A A . 11 PHE CZ 1 1 14 3946 1 1 11 PHE H H 15.113 0.482 -0.026 1.00 . A A . 11 PHE H 1 1 14 3947 1 1 11 PHE HA H 17.658 0.770 -1.262 1.00 . A A . 11 PHE HA 1 1 14 3948 1 1 11 PHE HB2 H 16.504 2.622 -1.830 1.00 . A A . 11 PHE HB2 1 1 14 3949 1 1 11 PHE HB3 H 15.493 2.521 -0.407 1.00 . A A . 11 PHE HB3 1 1 14 3950 1 1 11 PHE HD1 H 16.706 3.201 1.876 1.00 . A A . 11 PHE HD1 1 1 14 3951 1 1 11 PHE HD2 H 18.000 4.391 -2.040 1.00 . A A . 11 PHE HD2 1 1 14 3952 1 1 11 PHE HE1 H 17.856 5.161 2.860 1.00 . A A . 11 PHE HE1 1 1 14 3953 1 1 11 PHE HE2 H 19.145 6.359 -1.054 1.00 . A A . 11 PHE HE2 1 1 14 3954 1 1 11 PHE HZ H 19.081 6.740 1.393 1.00 . A A . 11 PHE HZ 1 1 14 3955 1 1 11 PHE N N 16.052 0.197 -0.007 1.00 . A A . 11 PHE N 1 1 14 3956 1 1 11 PHE O O 19.308 1.216 0.594 1.00 . A A . 11 PHE O 1 1 14 3957 1 1 12 ALA C C 19.337 0.096 3.145 1.00 . A A . 12 ALA C 1 1 14 3958 1 1 12 ALA CA C 18.458 1.345 3.147 1.00 . A A . 12 ALA CA 1 1 14 3959 1 1 12 ALA CB C 17.593 1.374 4.411 1.00 . A A . 12 ALA CB 1 1 14 3960 1 1 12 ALA H H 16.606 1.276 2.062 1.00 . A A . 12 ALA H 1 1 14 3961 1 1 12 ALA HA H 19.081 2.227 3.108 1.00 . A A . 12 ALA HA 1 1 14 3962 1 1 12 ALA HB1 H 18.121 0.893 5.222 1.00 . A A . 12 ALA HB1 1 1 14 3963 1 1 12 ALA HB2 H 16.666 0.854 4.226 1.00 . A A . 12 ALA HB2 1 1 14 3964 1 1 12 ALA HB3 H 17.383 2.399 4.679 1.00 . A A . 12 ALA HB3 1 1 14 3965 1 1 12 ALA N N 17.581 1.297 1.955 1.00 . A A . 12 ALA N 1 1 14 3966 1 1 12 ALA O O 20.524 0.163 3.366 1.00 . A A . 12 ALA O 1 1 14 3967 1 1 13 ARG C C 20.634 -2.203 1.740 1.00 . A A . 13 ARG C 1 1 14 3968 1 1 13 ARG CA C 19.575 -2.296 2.845 1.00 . A A . 13 ARG CA 1 1 14 3969 1 1 13 ARG CB C 18.658 -3.496 2.587 1.00 . A A . 13 ARG CB 1 1 14 3970 1 1 13 ARG CD C 17.010 -5.062 3.638 1.00 . A A . 13 ARG CD 1 1 14 3971 1 1 13 ARG CG C 18.043 -3.964 3.909 1.00 . A A . 13 ARG CG 1 1 14 3972 1 1 13 ARG CZ C 15.164 -4.093 4.866 1.00 . A A . 13 ARG CZ 1 1 14 3973 1 1 13 ARG H H 17.798 -1.081 2.674 1.00 . A A . 13 ARG H 1 1 14 3974 1 1 13 ARG HA H 20.069 -2.421 3.798 1.00 . A A . 13 ARG HA 1 1 14 3975 1 1 13 ARG HB2 H 17.872 -3.208 1.904 1.00 . A A . 13 ARG HB2 1 1 14 3976 1 1 13 ARG HB3 H 19.232 -4.302 2.153 1.00 . A A . 13 ARG HB3 1 1 14 3977 1 1 13 ARG HD2 H 17.170 -5.471 2.648 1.00 . A A . 13 ARG HD2 1 1 14 3978 1 1 13 ARG HD3 H 17.120 -5.849 4.372 1.00 . A A . 13 ARG HD3 1 1 14 3979 1 1 13 ARG HE H 15.087 -4.399 2.915 1.00 . A A . 13 ARG HE 1 1 14 3980 1 1 13 ARG HG2 H 18.823 -4.352 4.550 1.00 . A A . 13 ARG HG2 1 1 14 3981 1 1 13 ARG HG3 H 17.560 -3.130 4.396 1.00 . A A . 13 ARG HG3 1 1 14 3982 1 1 13 ARG HH11 H 15.328 -2.154 4.418 1.00 . A A . 13 ARG HH11 1 1 14 3983 1 1 13 ARG HH12 H 14.690 -2.525 5.995 1.00 . A A . 13 ARG HH12 1 1 14 3984 1 1 13 ARG HH21 H 14.883 -5.938 5.542 1.00 . A A . 13 ARG HH21 1 1 14 3985 1 1 13 ARG HH22 H 14.437 -4.666 6.625 1.00 . A A . 13 ARG HH22 1 1 14 3986 1 1 13 ARG N N 18.762 -1.047 2.873 1.00 . A A . 13 ARG N 1 1 14 3987 1 1 13 ARG NE N 15.635 -4.484 3.724 1.00 . A A . 13 ARG NE 1 1 14 3988 1 1 13 ARG NH1 N 15.050 -2.832 5.118 1.00 . A A . 13 ARG NH1 1 1 14 3989 1 1 13 ARG NH2 N 14.800 -4.965 5.746 1.00 . A A . 13 ARG NH2 1 1 14 3990 1 1 13 ARG O O 21.807 -2.418 1.976 1.00 . A A . 13 ARG O 1 1 14 3991 1 1 14 CGU C C 22.172 -0.617 -0.340 1.00 . A A . 14 CGU C 1 1 14 3992 1 1 14 CGU CA C 21.218 -1.795 -0.573 1.00 . A A . 14 CGU CA 1 1 14 3993 1 1 14 CGU CB C 20.479 -1.611 -1.908 1.00 . A A . 14 CGU CB 1 1 14 3994 1 1 14 CGU CD1 C 18.331 -2.285 -3.034 1.00 . A A . 14 CGU CD1 1 1 14 3995 1 1 14 CGU CD2 C 20.176 -3.976 -2.762 1.00 . A A . 14 CGU CD2 1 1 14 3996 1 1 14 CGU CG C 19.474 -2.762 -2.115 1.00 . A A . 14 CGU CG 1 1 14 3997 1 1 14 CGU H H 19.283 -1.718 0.362 1.00 . A A . 14 CGU H 1 1 14 3998 1 1 14 CGU HA H 21.793 -2.710 -0.612 1.00 . A A . 14 CGU HA 1 1 14 3999 1 1 14 CGU HB2 H 21.196 -1.621 -2.710 1.00 . A A . 14 CGU HB2 1 1 14 4000 1 1 14 CGU HB3 H 19.954 -0.665 -1.916 1.00 . A A . 14 CGU HB3 1 1 14 4001 1 1 14 CGU HG H 19.063 -3.063 -1.159 1.00 . A A . 14 CGU HG 1 1 14 4002 1 1 14 CGU N N 20.232 -1.889 0.537 1.00 . A A . 14 CGU N 1 1 14 4003 1 1 14 CGU O O 23.366 -0.745 -0.520 1.00 . A A . 14 CGU O 1 1 14 4004 1 1 14 CGU OE11 O 17.958 -1.129 -2.933 1.00 . A A . 14 CGU OE11 1 1 14 4005 1 1 14 CGU OE12 O 17.833 -3.087 -3.811 1.00 . A A . 14 CGU OE12 1 1 14 4006 1 1 14 CGU OE21 O 19.488 -4.943 -3.072 1.00 . A A . 14 CGU OE21 1 1 14 4007 1 1 14 CGU OE22 O 21.383 -3.927 -2.931 1.00 . A A . 14 CGU OE22 1 1 14 4008 1 1 15 LEU C C 23.333 1.544 1.588 1.00 . A A . 15 LEU C 1 1 14 4009 1 1 15 LEU CA C 22.567 1.692 0.266 1.00 . A A . 15 LEU CA 1 1 14 4010 1 1 15 LEU CB C 21.718 2.972 0.228 1.00 . A A . 15 LEU CB 1 1 14 4011 1 1 15 LEU CD1 C 20.289 2.553 -1.794 1.00 . A A . 15 LEU CD1 1 1 14 4012 1 1 15 LEU CD2 C 21.133 4.846 -1.319 1.00 . A A . 15 LEU CD2 1 1 14 4013 1 1 15 LEU CG C 21.460 3.360 -1.236 1.00 . A A . 15 LEU CG 1 1 14 4014 1 1 15 LEU H H 20.704 0.631 0.197 1.00 . A A . 15 LEU H 1 1 14 4015 1 1 15 LEU HA H 23.290 1.721 -0.535 1.00 . A A . 15 LEU HA 1 1 14 4016 1 1 15 LEU HB2 H 20.770 2.796 0.723 1.00 . A A . 15 LEU HB2 1 1 14 4017 1 1 15 LEU HB3 H 22.236 3.774 0.725 1.00 . A A . 15 LEU HB3 1 1 14 4018 1 1 15 LEU HD11 H 20.026 2.929 -2.772 1.00 . A A . 15 LEU HD11 1 1 14 4019 1 1 15 LEU HD12 H 19.442 2.645 -1.134 1.00 . A A . 15 LEU HD12 1 1 14 4020 1 1 15 LEU HD13 H 20.572 1.514 -1.874 1.00 . A A . 15 LEU HD13 1 1 14 4021 1 1 15 LEU HD21 H 20.877 5.213 -0.336 1.00 . A A . 15 LEU HD21 1 1 14 4022 1 1 15 LEU HD22 H 20.298 4.990 -1.988 1.00 . A A . 15 LEU HD22 1 1 14 4023 1 1 15 LEU HD23 H 21.989 5.382 -1.693 1.00 . A A . 15 LEU HD23 1 1 14 4024 1 1 15 LEU HG H 22.338 3.155 -1.824 1.00 . A A . 15 LEU HG 1 1 14 4025 1 1 15 LEU N N 21.671 0.528 0.051 1.00 . A A . 15 LEU N 1 1 14 4026 1 1 15 LEU O O 24.466 1.971 1.698 1.00 . A A . 15 LEU O 1 1 14 4027 1 1 16 ALA C C 24.486 -0.443 3.669 1.00 . A A . 16 ALA C 1 1 14 4028 1 1 16 ALA CA C 23.507 0.723 3.856 1.00 . A A . 16 ALA CA 1 1 14 4029 1 1 16 ALA CB C 22.536 0.408 4.998 1.00 . A A . 16 ALA CB 1 1 14 4030 1 1 16 ALA H H 21.850 0.545 2.476 1.00 . A A . 16 ALA H 1 1 14 4031 1 1 16 ALA HA H 24.061 1.622 4.088 1.00 . A A . 16 ALA HA 1 1 14 4032 1 1 16 ALA HB1 H 21.753 1.151 5.020 1.00 . A A . 16 ALA HB1 1 1 14 4033 1 1 16 ALA HB2 H 23.070 0.420 5.938 1.00 . A A . 16 ALA HB2 1 1 14 4034 1 1 16 ALA HB3 H 22.103 -0.570 4.845 1.00 . A A . 16 ALA HB3 1 1 14 4035 1 1 16 ALA N N 22.757 0.914 2.578 1.00 . A A . 16 ALA N 1 1 14 4036 1 1 16 ALA O O 25.535 -0.491 4.280 1.00 . A A . 16 ALA O 1 1 14 4037 1 1 17 ASN C C 26.321 -2.042 1.831 1.00 . A A . 17 ASN C 1 1 14 4038 1 1 17 ASN CA C 25.070 -2.534 2.575 1.00 . A A . 17 ASN CA 1 1 14 4039 1 1 17 ASN CB C 24.344 -3.617 1.754 1.00 . A A . 17 ASN CB 1 1 14 4040 1 1 17 ASN CG C 25.286 -4.780 1.419 1.00 . A A . 17 ASN CG 1 1 14 4041 1 1 17 ASN H H 23.303 -1.310 2.326 1.00 . A A . 17 ASN H 1 1 14 4042 1 1 17 ASN HA H 25.371 -2.950 3.527 1.00 . A A . 17 ASN HA 1 1 14 4043 1 1 17 ASN HB2 H 23.512 -4.003 2.328 1.00 . A A . 17 ASN HB2 1 1 14 4044 1 1 17 ASN HB3 H 23.973 -3.184 0.838 1.00 . A A . 17 ASN HB3 1 1 14 4045 1 1 17 ASN HD21 H 26.894 -3.941 2.234 1.00 . A A . 17 ASN HD21 1 1 14 4046 1 1 17 ASN HD22 H 27.135 -5.480 1.539 1.00 . A A . 17 ASN HD22 1 1 14 4047 1 1 17 ASN N N 24.153 -1.377 2.815 1.00 . A A . 17 ASN N 1 1 14 4048 1 1 17 ASN ND2 N 26.540 -4.730 1.759 1.00 . A A . 17 ASN ND2 1 1 14 4049 1 1 17 ASN O O 27.416 -2.502 2.088 1.00 . A A . 17 ASN O 1 1 14 4050 1 1 17 ASN OD1 O 24.868 -5.754 0.832 1.00 . A A . 17 ASN OD1 1 1 14 4051 1 1 18 TYR C C 28.164 0.351 1.106 1.00 . A A . 18 TYR C 1 1 14 4052 1 1 18 TYR CA C 27.366 -0.591 0.189 1.00 . A A . 18 TYR CA 1 1 14 4053 1 1 18 TYR CB C 26.905 0.182 -1.055 1.00 . A A . 18 TYR CB 1 1 14 4054 1 1 18 TYR CD1 C 26.047 -2.042 -1.940 1.00 . A A . 18 TYR CD1 1 1 14 4055 1 1 18 TYR CD2 C 24.913 -0.001 -2.598 1.00 . A A . 18 TYR CD2 1 1 14 4056 1 1 18 TYR CE1 C 25.140 -2.788 -2.707 1.00 . A A . 18 TYR CE1 1 1 14 4057 1 1 18 TYR CE2 C 24.009 -0.749 -3.365 1.00 . A A . 18 TYR CE2 1 1 14 4058 1 1 18 TYR CG C 25.933 -0.644 -1.883 1.00 . A A . 18 TYR CG 1 1 14 4059 1 1 18 TYR CZ C 24.122 -2.141 -3.417 1.00 . A A . 18 TYR CZ 1 1 14 4060 1 1 18 TYR H H 25.292 -0.735 0.734 1.00 . A A . 18 TYR H 1 1 14 4061 1 1 18 TYR HA H 27.995 -1.416 -0.110 1.00 . A A . 18 TYR HA 1 1 14 4062 1 1 18 TYR HB2 H 26.419 1.096 -0.744 1.00 . A A . 18 TYR HB2 1 1 14 4063 1 1 18 TYR HB3 H 27.763 0.426 -1.654 1.00 . A A . 18 TYR HB3 1 1 14 4064 1 1 18 TYR HD1 H 26.830 -2.546 -1.393 1.00 . A A . 18 TYR HD1 1 1 14 4065 1 1 18 TYR HD2 H 24.823 1.074 -2.561 1.00 . A A . 18 TYR HD2 1 1 14 4066 1 1 18 TYR HE1 H 25.226 -3.864 -2.752 1.00 . A A . 18 TYR HE1 1 1 14 4067 1 1 18 TYR HE2 H 23.225 -0.253 -3.914 1.00 . A A . 18 TYR HE2 1 1 14 4068 1 1 18 TYR HH H 22.564 -3.250 -3.570 1.00 . A A . 18 TYR HH 1 1 14 4069 1 1 18 TYR N N 26.177 -1.106 0.925 1.00 . A A . 18 TYR N 1 1 14 4070 1 1 18 TYR O O 28.824 1.259 0.647 1.00 . A A . 18 TYR O 1 1 14 4071 1 1 18 TYR OH O 23.229 -2.876 -4.170 1.00 . A A . 18 TYR OH 1 1 14 4072 1 1 19 NH2 HN1 H 27.587 -0.557 2.777 1.00 . A A . 19 NH2 HN1 1 1 14 4073 1 1 19 NH2 HN2 H 28.622 0.788 2.987 1.00 . A A . 19 NH2 HN2 1 1 14 4074 1 1 19 NH2 N N 28.121 0.179 2.397 1.00 . A A . 19 NH2 N 1 1 15 4075 1 1 1 GLY C C 3.086 1.368 1.242 1.00 . A A . 1 GLY C 1 1 15 4076 1 1 1 GLY CA C 1.896 2.301 0.996 1.00 . A A . 1 GLY CA 1 1 15 4077 1 1 1 GLY H1 H 2.899 3.562 -0.332 1.00 . A A . 1 GLY H1 1 1 15 4078 1 1 1 GLY H2 H 3.048 4.013 1.303 1.00 . A A . 1 GLY H2 1 1 15 4079 1 1 1 GLY H3 H 1.595 4.298 0.471 1.00 . A A . 1 GLY H3 1 1 15 4080 1 1 1 GLY HA2 H 1.319 2.395 1.905 1.00 . A A . 1 GLY HA2 1 1 15 4081 1 1 1 GLY HA3 H 1.272 1.890 0.216 1.00 . A A . 1 GLY HA3 1 1 15 4082 1 1 1 GLY N N 2.395 3.645 0.580 1.00 . A A . 1 GLY N 1 1 15 4083 1 1 1 GLY O O 4.146 1.802 1.647 1.00 . A A . 1 GLY O 1 1 15 4084 1 1 2 GLU C C 5.167 -0.643 0.226 1.00 . A A . 2 GLU C 1 1 15 4085 1 1 2 GLU CA C 4.035 -0.874 1.240 1.00 . A A . 2 GLU CA 1 1 15 4086 1 1 2 GLU CB C 3.502 -2.300 1.093 1.00 . A A . 2 GLU CB 1 1 15 4087 1 1 2 GLU CD C 4.101 -4.721 1.173 1.00 . A A . 2 GLU CD 1 1 15 4088 1 1 2 GLU CG C 4.616 -3.302 1.415 1.00 . A A . 2 GLU CG 1 1 15 4089 1 1 2 GLU H H 2.050 -0.236 0.689 1.00 . A A . 2 GLU H 1 1 15 4090 1 1 2 GLU HA H 4.420 -0.741 2.239 1.00 . A A . 2 GLU HA 1 1 15 4091 1 1 2 GLU HB2 H 2.677 -2.449 1.774 1.00 . A A . 2 GLU HB2 1 1 15 4092 1 1 2 GLU HB3 H 3.164 -2.457 0.079 1.00 . A A . 2 GLU HB3 1 1 15 4093 1 1 2 GLU HG2 H 5.468 -3.117 0.779 1.00 . A A . 2 GLU HG2 1 1 15 4094 1 1 2 GLU HG3 H 4.907 -3.202 2.449 1.00 . A A . 2 GLU HG3 1 1 15 4095 1 1 2 GLU N N 2.917 0.092 1.009 1.00 . A A . 2 GLU N 1 1 15 4096 1 1 2 GLU O O 6.306 -0.425 0.594 1.00 . A A . 2 GLU O 1 1 15 4097 1 1 2 GLU OE1 O 3.453 -5.254 2.059 1.00 . A A . 2 GLU OE1 1 1 15 4098 1 1 2 GLU OE2 O 4.355 -5.243 0.102 1.00 . A A . 2 GLU OE2 1 1 15 4099 1 1 3 CGU C C 6.789 0.729 -1.695 1.00 . A A . 3 CGU C 1 1 15 4100 1 1 3 CGU CA C 5.942 -0.494 -2.072 1.00 . A A . 3 CGU CA 1 1 15 4101 1 1 3 CGU CB C 5.301 -0.271 -3.462 1.00 . A A . 3 CGU CB 1 1 15 4102 1 1 3 CGU CD1 C 7.318 -1.288 -4.605 1.00 . A A . 3 CGU CD1 1 1 15 4103 1 1 3 CGU CD2 C 5.841 0.230 -5.892 1.00 . A A . 3 CGU CD2 1 1 15 4104 1 1 3 CGU CG C 6.415 -0.048 -4.497 1.00 . A A . 3 CGU CG 1 1 15 4105 1 1 3 CGU H H 3.954 -0.883 -1.326 1.00 . A A . 3 CGU H 1 1 15 4106 1 1 3 CGU HA H 6.588 -1.366 -2.091 1.00 . A A . 3 CGU HA 1 1 15 4107 1 1 3 CGU HB2 H 4.674 0.609 -3.425 1.00 . A A . 3 CGU HB2 1 1 15 4108 1 1 3 CGU HB3 H 4.696 -1.129 -3.749 1.00 . A A . 3 CGU HB3 1 1 15 4109 1 1 3 CGU HG H 7.006 0.798 -4.192 1.00 . A A . 3 CGU HG 1 1 15 4110 1 1 3 CGU N N 4.873 -0.699 -1.046 1.00 . A A . 3 CGU N 1 1 15 4111 1 1 3 CGU O O 8.006 0.686 -1.735 1.00 . A A . 3 CGU O 1 1 15 4112 1 1 3 CGU OE11 O 6.936 -2.336 -4.115 1.00 . A A . 3 CGU OE11 1 1 15 4113 1 1 3 CGU OE12 O 8.378 -1.166 -5.200 1.00 . A A . 3 CGU OE12 1 1 15 4114 1 1 3 CGU OE21 O 6.638 0.301 -6.823 1.00 . A A . 3 CGU OE21 1 1 15 4115 1 1 3 CGU OE22 O 4.635 0.370 -6.015 1.00 . A A . 3 CGU OE22 1 1 15 4116 1 1 4 CGU C C 7.872 2.705 0.202 1.00 . A A . 4 CGU C 1 1 15 4117 1 1 4 CGU CA C 6.916 3.032 -0.946 1.00 . A A . 4 CGU CA 1 1 15 4118 1 1 4 CGU CB C 5.929 4.112 -0.510 1.00 . A A . 4 CGU CB 1 1 15 4119 1 1 4 CGU CD1 C 4.337 5.863 -1.351 1.00 . A A . 4 CGU CD1 1 1 15 4120 1 1 4 CGU CD2 C 4.221 3.558 -2.275 1.00 . A A . 4 CGU CD2 1 1 15 4121 1 1 4 CGU CG C 5.169 4.642 -1.746 1.00 . A A . 4 CGU CG 1 1 15 4122 1 1 4 CGU H H 5.179 1.820 -1.301 1.00 . A A . 4 CGU H 1 1 15 4123 1 1 4 CGU HA H 7.482 3.384 -1.796 1.00 . A A . 4 CGU HA 1 1 15 4124 1 1 4 CGU HB2 H 6.466 4.921 -0.030 1.00 . A A . 4 CGU HB2 1 1 15 4125 1 1 4 CGU HB3 H 5.224 3.685 0.191 1.00 . A A . 4 CGU HB3 1 1 15 4126 1 1 4 CGU HG H 5.869 4.914 -2.532 1.00 . A A . 4 CGU HG 1 1 15 4127 1 1 4 CGU N N 6.157 1.810 -1.328 1.00 . A A . 4 CGU N 1 1 15 4128 1 1 4 CGU O O 9.072 2.878 0.086 1.00 . A A . 4 CGU O 1 1 15 4129 1 1 4 CGU OE11 O 4.591 6.927 -1.888 1.00 . A A . 4 CGU OE11 1 1 15 4130 1 1 4 CGU OE12 O 3.461 5.712 -0.516 1.00 . A A . 4 CGU OE12 1 1 15 4131 1 1 4 CGU OE21 O 4.194 3.357 -3.476 1.00 . A A . 4 CGU OE21 1 1 15 4132 1 1 4 CGU OE22 O 3.539 2.943 -1.468 1.00 . A A . 4 CGU OE22 1 1 15 4133 1 1 5 LEU C C 9.161 0.714 2.017 1.00 . A A . 5 LEU C 1 1 15 4134 1 1 5 LEU CA C 8.265 1.878 2.437 1.00 . A A . 5 LEU CA 1 1 15 4135 1 1 5 LEU CB C 7.438 1.535 3.679 1.00 . A A . 5 LEU CB 1 1 15 4136 1 1 5 LEU CD1 C 7.735 -0.931 3.859 1.00 . A A . 5 LEU CD1 1 1 15 4137 1 1 5 LEU CD2 C 5.575 0.115 4.525 1.00 . A A . 5 LEU CD2 1 1 15 4138 1 1 5 LEU CG C 6.743 0.185 3.540 1.00 . A A . 5 LEU CG 1 1 15 4139 1 1 5 LEU H H 6.399 2.073 1.387 1.00 . A A . 5 LEU H 1 1 15 4140 1 1 5 LEU HA H 8.890 2.721 2.658 1.00 . A A . 5 LEU HA 1 1 15 4141 1 1 5 LEU HB2 H 8.097 1.495 4.517 1.00 . A A . 5 LEU HB2 1 1 15 4142 1 1 5 LEU HB3 H 6.696 2.306 3.839 1.00 . A A . 5 LEU HB3 1 1 15 4143 1 1 5 LEU HD11 H 7.437 -1.429 4.766 1.00 . A A . 5 LEU HD11 1 1 15 4144 1 1 5 LEU HD12 H 8.723 -0.511 3.988 1.00 . A A . 5 LEU HD12 1 1 15 4145 1 1 5 LEU HD13 H 7.749 -1.640 3.045 1.00 . A A . 5 LEU HD13 1 1 15 4146 1 1 5 LEU HD21 H 4.791 0.783 4.203 1.00 . A A . 5 LEU HD21 1 1 15 4147 1 1 5 LEU HD22 H 5.916 0.406 5.507 1.00 . A A . 5 LEU HD22 1 1 15 4148 1 1 5 LEU HD23 H 5.196 -0.895 4.560 1.00 . A A . 5 LEU HD23 1 1 15 4149 1 1 5 LEU HG H 6.375 0.071 2.539 1.00 . A A . 5 LEU HG 1 1 15 4150 1 1 5 LEU N N 7.364 2.220 1.307 1.00 . A A . 5 LEU N 1 1 15 4151 1 1 5 LEU O O 10.348 0.712 2.273 1.00 . A A . 5 LEU O 1 1 15 4152 1 1 6 ALA C C 10.610 -0.887 0.066 1.00 . A A . 6 ALA C 1 1 15 4153 1 1 6 ALA CA C 9.429 -1.420 0.888 1.00 . A A . 6 ALA CA 1 1 15 4154 1 1 6 ALA CB C 8.578 -2.354 0.018 1.00 . A A . 6 ALA CB 1 1 15 4155 1 1 6 ALA H H 7.642 -0.221 1.159 1.00 . A A . 6 ALA H 1 1 15 4156 1 1 6 ALA HA H 9.801 -1.962 1.745 1.00 . A A . 6 ALA HA 1 1 15 4157 1 1 6 ALA HB1 H 7.540 -2.078 0.099 1.00 . A A . 6 ALA HB1 1 1 15 4158 1 1 6 ALA HB2 H 8.703 -3.372 0.355 1.00 . A A . 6 ALA HB2 1 1 15 4159 1 1 6 ALA HB3 H 8.892 -2.277 -1.013 1.00 . A A . 6 ALA HB3 1 1 15 4160 1 1 6 ALA N N 8.605 -0.260 1.355 1.00 . A A . 6 ALA N 1 1 15 4161 1 1 6 ALA O O 11.756 -1.208 0.330 1.00 . A A . 6 ALA O 1 1 15 4162 1 1 7 CGU C C 12.471 1.143 -0.780 1.00 . A A . 7 CGU C 1 1 15 4163 1 1 7 CGU CA C 11.447 0.520 -1.734 1.00 . A A . 7 CGU CA 1 1 15 4164 1 1 7 CGU CB C 10.883 1.609 -2.655 1.00 . A A . 7 CGU CB 1 1 15 4165 1 1 7 CGU CD1 C 9.117 2.015 -4.422 1.00 . A A . 7 CGU CD1 1 1 15 4166 1 1 7 CGU CD2 C 11.068 0.544 -4.957 1.00 . A A . 7 CGU CD2 1 1 15 4167 1 1 7 CGU CG C 10.099 0.980 -3.837 1.00 . A A . 7 CGU CG 1 1 15 4168 1 1 7 CGU H H 9.412 0.209 -1.100 1.00 . A A . 7 CGU H 1 1 15 4169 1 1 7 CGU HA H 11.920 -0.258 -2.320 1.00 . A A . 7 CGU HA 1 1 15 4170 1 1 7 CGU HB2 H 11.697 2.198 -3.043 1.00 . A A . 7 CGU HB2 1 1 15 4171 1 1 7 CGU HB3 H 10.224 2.253 -2.080 1.00 . A A . 7 CGU HB3 1 1 15 4172 1 1 7 CGU HG H 9.545 0.114 -3.494 1.00 . A A . 7 CGU HG 1 1 15 4173 1 1 7 CGU N N 10.341 -0.054 -0.916 1.00 . A A . 7 CGU N 1 1 15 4174 1 1 7 CGU O O 13.658 0.882 -0.859 1.00 . A A . 7 CGU O 1 1 15 4175 1 1 7 CGU OE11 O 8.829 2.989 -3.748 1.00 . A A . 7 CGU OE11 1 1 15 4176 1 1 7 CGU OE12 O 8.659 1.808 -5.538 1.00 . A A . 7 CGU OE12 1 1 15 4177 1 1 7 CGU OE21 O 10.586 0.130 -6.008 1.00 . A A . 7 CGU OE21 1 1 15 4178 1 1 7 CGU OE22 O 12.268 0.630 -4.754 1.00 . A A . 7 CGU OE22 1 1 15 4179 1 1 8 LYS C C 13.576 1.475 1.962 1.00 . A A . 8 LYS C 1 1 15 4180 1 1 8 LYS CA C 12.922 2.579 1.127 1.00 . A A . 8 LYS CA 1 1 15 4181 1 1 8 LYS CB C 12.114 3.511 2.032 1.00 . A A . 8 LYS CB 1 1 15 4182 1 1 8 LYS CD C 12.968 5.867 2.225 1.00 . A A . 8 LYS CD 1 1 15 4183 1 1 8 LYS CE C 13.743 5.949 0.906 1.00 . A A . 8 LYS CE 1 1 15 4184 1 1 8 LYS CG C 13.060 4.446 2.800 1.00 . A A . 8 LYS CG 1 1 15 4185 1 1 8 LYS H H 11.038 2.120 0.190 1.00 . A A . 8 LYS H 1 1 15 4186 1 1 8 LYS HA H 13.678 3.143 0.612 1.00 . A A . 8 LYS HA 1 1 15 4187 1 1 8 LYS HB2 H 11.443 4.097 1.423 1.00 . A A . 8 LYS HB2 1 1 15 4188 1 1 8 LYS HB3 H 11.544 2.922 2.732 1.00 . A A . 8 LYS HB3 1 1 15 4189 1 1 8 LYS HD2 H 11.932 6.117 2.045 1.00 . A A . 8 LYS HD2 1 1 15 4190 1 1 8 LYS HD3 H 13.389 6.569 2.931 1.00 . A A . 8 LYS HD3 1 1 15 4191 1 1 8 LYS HE2 H 13.498 5.094 0.291 1.00 . A A . 8 LYS HE2 1 1 15 4192 1 1 8 LYS HE3 H 13.471 6.856 0.384 1.00 . A A . 8 LYS HE3 1 1 15 4193 1 1 8 LYS HG2 H 12.776 4.461 3.844 1.00 . A A . 8 LYS HG2 1 1 15 4194 1 1 8 LYS HG3 H 14.074 4.084 2.711 1.00 . A A . 8 LYS HG3 1 1 15 4195 1 1 8 LYS HZ1 H 15.708 5.369 0.497 1.00 . A A . 8 LYS HZ1 1 1 15 4196 1 1 8 LYS HZ2 H 15.372 5.575 2.151 1.00 . A A . 8 LYS HZ2 1 1 15 4197 1 1 8 LYS HZ3 H 15.567 6.931 1.146 1.00 . A A . 8 LYS HZ3 1 1 15 4198 1 1 8 LYS N N 12.004 1.946 0.140 1.00 . A A . 8 LYS N 1 1 15 4199 1 1 8 LYS NZ N 15.207 5.957 1.197 1.00 . A A . 8 LYS NZ 1 1 15 4200 1 1 8 LYS O O 14.776 1.469 2.180 1.00 . A A . 8 LYS O 1 1 15 4201 1 1 9 ALA C C 14.397 -1.341 2.424 1.00 . A A . 9 ALA C 1 1 15 4202 1 1 9 ALA CA C 13.337 -0.586 3.232 1.00 . A A . 9 ALA CA 1 1 15 4203 1 1 9 ALA CB C 12.199 -1.541 3.606 1.00 . A A . 9 ALA CB 1 1 15 4204 1 1 9 ALA H H 11.823 0.567 2.216 1.00 . A A . 9 ALA H 1 1 15 4205 1 1 9 ALA HA H 13.786 -0.191 4.132 1.00 . A A . 9 ALA HA 1 1 15 4206 1 1 9 ALA HB1 H 12.036 -2.243 2.801 1.00 . A A . 9 ALA HB1 1 1 15 4207 1 1 9 ALA HB2 H 11.296 -0.976 3.777 1.00 . A A . 9 ALA HB2 1 1 15 4208 1 1 9 ALA HB3 H 12.460 -2.080 4.506 1.00 . A A . 9 ALA HB3 1 1 15 4209 1 1 9 ALA N N 12.789 0.536 2.418 1.00 . A A . 9 ALA N 1 1 15 4210 1 1 9 ALA O O 15.416 -1.756 2.952 1.00 . A A . 9 ALA O 1 1 15 4211 1 1 10 CGU C C 16.349 -1.324 0.005 1.00 . A A . 10 CGU C 1 1 15 4212 1 1 10 CGU CA C 15.179 -2.264 0.342 1.00 . A A . 10 CGU CA 1 1 15 4213 1 1 10 CGU CB C 14.530 -2.810 -0.940 1.00 . A A . 10 CGU CB 1 1 15 4214 1 1 10 CGU CD1 C 15.125 -3.277 -3.360 1.00 . A A . 10 CGU CD1 1 1 15 4215 1 1 10 CGU CD2 C 16.287 -4.524 -1.543 1.00 . A A . 10 CGU CD2 1 1 15 4216 1 1 10 CGU CG C 15.644 -3.174 -1.921 1.00 . A A . 10 CGU CG 1 1 15 4217 1 1 10 CGU H H 13.354 -1.202 0.728 1.00 . A A . 10 CGU H 1 1 15 4218 1 1 10 CGU HA H 15.560 -3.089 0.921 1.00 . A A . 10 CGU HA 1 1 15 4219 1 1 10 CGU HB2 H 13.889 -2.062 -1.381 1.00 . A A . 10 CGU HB2 1 1 15 4220 1 1 10 CGU HB3 H 13.948 -3.690 -0.705 1.00 . A A . 10 CGU HB3 1 1 15 4221 1 1 10 CGU HG H 16.385 -2.400 -1.872 1.00 . A A . 10 CGU HG 1 1 15 4222 1 1 10 CGU N N 14.176 -1.534 1.149 1.00 . A A . 10 CGU N 1 1 15 4223 1 1 10 CGU O O 17.498 -1.687 0.154 1.00 . A A . 10 CGU O 1 1 15 4224 1 1 10 CGU OE11 O 13.921 -3.266 -3.553 1.00 . A A . 10 CGU OE11 1 1 15 4225 1 1 10 CGU OE12 O 15.962 -3.379 -4.253 1.00 . A A . 10 CGU OE12 1 1 15 4226 1 1 10 CGU OE21 O 16.948 -5.101 -2.401 1.00 . A A . 10 CGU OE21 1 1 15 4227 1 1 10 CGU OE22 O 16.122 -4.955 -0.412 1.00 . A A . 10 CGU OE22 1 1 15 4228 1 1 11 PHE C C 17.992 1.043 0.531 1.00 . A A . 11 PHE C 1 1 15 4229 1 1 11 PHE CA C 17.189 0.828 -0.743 1.00 . A A . 11 PHE CA 1 1 15 4230 1 1 11 PHE CB C 16.583 2.133 -1.291 1.00 . A A . 11 PHE CB 1 1 15 4231 1 1 11 PHE CD1 C 17.956 4.195 -1.784 1.00 . A A . 11 PHE CD1 1 1 15 4232 1 1 11 PHE CD2 C 17.338 3.752 0.521 1.00 . A A . 11 PHE CD2 1 1 15 4233 1 1 11 PHE CE1 C 18.590 5.377 -1.383 1.00 . A A . 11 PHE CE1 1 1 15 4234 1 1 11 PHE CE2 C 17.986 4.927 0.919 1.00 . A A . 11 PHE CE2 1 1 15 4235 1 1 11 PHE CG C 17.326 3.378 -0.833 1.00 . A A . 11 PHE CG 1 1 15 4236 1 1 11 PHE CZ C 18.608 5.742 -0.032 1.00 . A A . 11 PHE CZ 1 1 15 4237 1 1 11 PHE H H 15.143 0.178 -0.520 1.00 . A A . 11 PHE H 1 1 15 4238 1 1 11 PHE HA H 17.838 0.396 -1.492 1.00 . A A . 11 PHE HA 1 1 15 4239 1 1 11 PHE HB2 H 16.606 2.098 -2.370 1.00 . A A . 11 PHE HB2 1 1 15 4240 1 1 11 PHE HB3 H 15.559 2.198 -0.976 1.00 . A A . 11 PHE HB3 1 1 15 4241 1 1 11 PHE HD1 H 17.968 3.903 -2.823 1.00 . A A . 11 PHE HD1 1 1 15 4242 1 1 11 PHE HD2 H 16.873 3.125 1.260 1.00 . A A . 11 PHE HD2 1 1 15 4243 1 1 11 PHE HE1 H 19.076 6.006 -2.118 1.00 . A A . 11 PHE HE1 1 1 15 4244 1 1 11 PHE HE2 H 18.001 5.208 1.963 1.00 . A A . 11 PHE HE2 1 1 15 4245 1 1 11 PHE HZ H 19.099 6.654 0.276 1.00 . A A . 11 PHE HZ 1 1 15 4246 1 1 11 PHE N N 16.076 -0.116 -0.426 1.00 . A A . 11 PHE N 1 1 15 4247 1 1 11 PHE O O 19.201 1.067 0.512 1.00 . A A . 11 PHE O 1 1 15 4248 1 1 12 ALA C C 19.069 0.203 3.101 1.00 . A A . 12 ALA C 1 1 15 4249 1 1 12 ALA CA C 18.064 1.346 2.925 1.00 . A A . 12 ALA CA 1 1 15 4250 1 1 12 ALA CB C 17.070 1.346 4.089 1.00 . A A . 12 ALA CB 1 1 15 4251 1 1 12 ALA H H 16.346 1.107 1.648 1.00 . A A . 12 ALA H 1 1 15 4252 1 1 12 ALA HA H 18.592 2.288 2.899 1.00 . A A . 12 ALA HA 1 1 15 4253 1 1 12 ALA HB1 H 16.412 2.199 3.999 1.00 . A A . 12 ALA HB1 1 1 15 4254 1 1 12 ALA HB2 H 17.608 1.405 5.024 1.00 . A A . 12 ALA HB2 1 1 15 4255 1 1 12 ALA HB3 H 16.487 0.438 4.065 1.00 . A A . 12 ALA HB3 1 1 15 4256 1 1 12 ALA N N 17.330 1.159 1.648 1.00 . A A . 12 ALA N 1 1 15 4257 1 1 12 ALA O O 20.171 0.408 3.567 1.00 . A A . 12 ALA O 1 1 15 4258 1 1 13 ARG C C 20.844 -1.961 1.931 1.00 . A A . 13 ARG C 1 1 15 4259 1 1 13 ARG CA C 19.655 -2.142 2.881 1.00 . A A . 13 ARG CA 1 1 15 4260 1 1 13 ARG CB C 18.926 -3.450 2.561 1.00 . A A . 13 ARG CB 1 1 15 4261 1 1 13 ARG CD C 16.963 -4.819 3.284 1.00 . A A . 13 ARG CD 1 1 15 4262 1 1 13 ARG CG C 18.047 -3.847 3.751 1.00 . A A . 13 ARG CG 1 1 15 4263 1 1 13 ARG CZ C 14.650 -4.676 2.603 1.00 . A A . 13 ARG CZ 1 1 15 4264 1 1 13 ARG H H 17.811 -1.148 2.340 1.00 . A A . 13 ARG H 1 1 15 4265 1 1 13 ARG HA H 20.015 -2.172 3.899 1.00 . A A . 13 ARG HA 1 1 15 4266 1 1 13 ARG HB2 H 18.310 -3.314 1.685 1.00 . A A . 13 ARG HB2 1 1 15 4267 1 1 13 ARG HB3 H 19.650 -4.230 2.376 1.00 . A A . 13 ARG HB3 1 1 15 4268 1 1 13 ARG HD2 H 17.313 -5.357 2.411 1.00 . A A . 13 ARG HD2 1 1 15 4269 1 1 13 ARG HD3 H 16.743 -5.522 4.075 1.00 . A A . 13 ARG HD3 1 1 15 4270 1 1 13 ARG HE H 15.737 -3.056 2.971 1.00 . A A . 13 ARG HE 1 1 15 4271 1 1 13 ARG HG2 H 18.655 -4.321 4.507 1.00 . A A . 13 ARG HG2 1 1 15 4272 1 1 13 ARG HG3 H 17.580 -2.965 4.165 1.00 . A A . 13 ARG HG3 1 1 15 4273 1 1 13 ARG HH11 H 13.766 -4.366 4.352 1.00 . A A . 13 ARG HH11 1 1 15 4274 1 1 13 ARG HH12 H 12.840 -5.253 3.193 1.00 . A A . 13 ARG HH12 1 1 15 4275 1 1 13 ARG HH21 H 15.300 -5.111 0.766 1.00 . A A . 13 ARG HH21 1 1 15 4276 1 1 13 ARG HH22 H 13.708 -5.679 1.168 1.00 . A A . 13 ARG HH22 1 1 15 4277 1 1 13 ARG N N 18.704 -0.999 2.727 1.00 . A A . 13 ARG N 1 1 15 4278 1 1 13 ARG NE N 15.731 -4.051 2.939 1.00 . A A . 13 ARG NE 1 1 15 4279 1 1 13 ARG NH1 N 13.677 -4.772 3.446 1.00 . A A . 13 ARG NH1 1 1 15 4280 1 1 13 ARG NH2 N 14.540 -5.196 1.426 1.00 . A A . 13 ARG NH2 1 1 15 4281 1 1 13 ARG O O 21.973 -1.797 2.364 1.00 . A A . 13 ARG O 1 1 15 4282 1 1 14 CGU C C 22.424 -0.473 -0.018 1.00 . A A . 14 CGU C 1 1 15 4283 1 1 14 CGU CA C 21.726 -1.798 -0.315 1.00 . A A . 14 CGU CA 1 1 15 4284 1 1 14 CGU CB C 21.177 -1.803 -1.745 1.00 . A A . 14 CGU CB 1 1 15 4285 1 1 14 CGU CD1 C 19.220 -3.324 -1.667 1.00 . A A . 14 CGU CD1 1 1 15 4286 1 1 14 CGU CD2 C 20.778 -3.479 -3.602 1.00 . A A . 14 CGU CD2 1 1 15 4287 1 1 14 CGU CG C 20.681 -3.212 -2.087 1.00 . A A . 14 CGU CG 1 1 15 4288 1 1 14 CGU H H 19.697 -2.106 0.312 1.00 . A A . 14 CGU H 1 1 15 4289 1 1 14 CGU HA H 22.435 -2.606 -0.198 1.00 . A A . 14 CGU HA 1 1 15 4290 1 1 14 CGU HB2 H 21.950 -1.514 -2.431 1.00 . A A . 14 CGU HB2 1 1 15 4291 1 1 14 CGU HB3 H 20.354 -1.104 -1.817 1.00 . A A . 14 CGU HB3 1 1 15 4292 1 1 14 CGU HG H 21.268 -3.943 -1.550 1.00 . A A . 14 CGU HG 1 1 15 4293 1 1 14 CGU N N 20.608 -1.980 0.645 1.00 . A A . 14 CGU N 1 1 15 4294 1 1 14 CGU O O 23.628 -0.365 -0.105 1.00 . A A . 14 CGU O 1 1 15 4295 1 1 14 CGU OE11 O 18.957 -3.939 -0.651 1.00 . A A . 14 CGU OE11 1 1 15 4296 1 1 14 CGU OE12 O 18.390 -2.791 -2.380 1.00 . A A . 14 CGU OE12 1 1 15 4297 1 1 14 CGU OE21 O 19.829 -4.030 -4.158 1.00 . A A . 14 CGU OE21 1 1 15 4298 1 1 14 CGU OE22 O 21.791 -3.138 -4.181 1.00 . A A . 14 CGU OE22 1 1 15 4299 1 1 15 LEU C C 23.079 1.708 1.987 1.00 . A A . 15 LEU C 1 1 15 4300 1 1 15 LEU CA C 22.301 1.843 0.677 1.00 . A A . 15 LEU CA 1 1 15 4301 1 1 15 LEU CB C 21.207 2.898 0.802 1.00 . A A . 15 LEU CB 1 1 15 4302 1 1 15 LEU CD1 C 21.275 4.519 -1.103 1.00 . A A . 15 LEU CD1 1 1 15 4303 1 1 15 LEU CD2 C 20.861 2.120 -1.606 1.00 . A A . 15 LEU CD2 1 1 15 4304 1 1 15 LEU CG C 20.633 3.243 -0.580 1.00 . A A . 15 LEU CG 1 1 15 4305 1 1 15 LEU H H 20.705 0.422 0.438 1.00 . A A . 15 LEU H 1 1 15 4306 1 1 15 LEU HA H 22.978 2.125 -0.110 1.00 . A A . 15 LEU HA 1 1 15 4307 1 1 15 LEU HB2 H 20.413 2.523 1.432 1.00 . A A . 15 LEU HB2 1 1 15 4308 1 1 15 LEU HB3 H 21.617 3.793 1.245 1.00 . A A . 15 LEU HB3 1 1 15 4309 1 1 15 LEU HD11 H 20.917 4.713 -2.103 1.00 . A A . 15 LEU HD11 1 1 15 4310 1 1 15 LEU HD12 H 22.345 4.402 -1.118 1.00 . A A . 15 LEU HD12 1 1 15 4311 1 1 15 LEU HD13 H 21.009 5.343 -0.459 1.00 . A A . 15 LEU HD13 1 1 15 4312 1 1 15 LEU HD21 H 20.462 2.428 -2.563 1.00 . A A . 15 LEU HD21 1 1 15 4313 1 1 15 LEU HD22 H 20.357 1.225 -1.286 1.00 . A A . 15 LEU HD22 1 1 15 4314 1 1 15 LEU HD23 H 21.916 1.927 -1.708 1.00 . A A . 15 LEU HD23 1 1 15 4315 1 1 15 LEU HG H 19.585 3.404 -0.470 1.00 . A A . 15 LEU HG 1 1 15 4316 1 1 15 LEU N N 21.679 0.532 0.356 1.00 . A A . 15 LEU N 1 1 15 4317 1 1 15 LEU O O 24.221 2.122 2.083 1.00 . A A . 15 LEU O 1 1 15 4318 1 1 16 ALA C C 24.508 0.151 3.989 1.00 . A A . 16 ALA C 1 1 15 4319 1 1 16 ALA CA C 23.212 0.913 4.276 1.00 . A A . 16 ALA CA 1 1 15 4320 1 1 16 ALA CB C 22.344 0.115 5.255 1.00 . A A . 16 ALA CB 1 1 15 4321 1 1 16 ALA H H 21.569 0.753 2.886 1.00 . A A . 16 ALA H 1 1 15 4322 1 1 16 ALA HA H 23.450 1.877 4.703 1.00 . A A . 16 ALA HA 1 1 15 4323 1 1 16 ALA HB1 H 21.452 0.680 5.489 1.00 . A A . 16 ALA HB1 1 1 15 4324 1 1 16 ALA HB2 H 22.899 -0.071 6.162 1.00 . A A . 16 ALA HB2 1 1 15 4325 1 1 16 ALA HB3 H 22.064 -0.826 4.804 1.00 . A A . 16 ALA HB3 1 1 15 4326 1 1 16 ALA N N 22.485 1.102 2.988 1.00 . A A . 16 ALA N 1 1 15 4327 1 1 16 ALA O O 25.552 0.463 4.526 1.00 . A A . 16 ALA O 1 1 15 4328 1 1 17 ASN C C 26.508 -0.737 1.778 1.00 . A A . 17 ASN C 1 1 15 4329 1 1 17 ASN CA C 25.710 -1.574 2.781 1.00 . A A . 17 ASN CA 1 1 15 4330 1 1 17 ASN CB C 25.388 -2.955 2.180 1.00 . A A . 17 ASN CB 1 1 15 4331 1 1 17 ASN CG C 26.676 -3.782 2.056 1.00 . A A . 17 ASN CG 1 1 15 4332 1 1 17 ASN H H 23.605 -1.048 2.676 1.00 . A A . 17 ASN H 1 1 15 4333 1 1 17 ASN HA H 26.300 -1.702 3.680 1.00 . A A . 17 ASN HA 1 1 15 4334 1 1 17 ASN HB2 H 24.696 -3.480 2.824 1.00 . A A . 17 ASN HB2 1 1 15 4335 1 1 17 ASN HB3 H 24.950 -2.833 1.203 1.00 . A A . 17 ASN HB3 1 1 15 4336 1 1 17 ASN HD21 H 27.881 -2.199 1.952 1.00 . A A . 17 ASN HD21 1 1 15 4337 1 1 17 ASN HD22 H 28.649 -3.723 1.877 1.00 . A A . 17 ASN HD22 1 1 15 4338 1 1 17 ASN N N 24.458 -0.828 3.118 1.00 . A A . 17 ASN N 1 1 15 4339 1 1 17 ASN ND2 N 27.830 -3.186 1.953 1.00 . A A . 17 ASN ND2 1 1 15 4340 1 1 17 ASN O O 27.722 -0.703 1.819 1.00 . A A . 17 ASN O 1 1 15 4341 1 1 17 ASN OD1 O 26.628 -4.992 2.050 1.00 . A A . 17 ASN OD1 1 1 15 4342 1 1 18 TYR C C 27.245 1.953 0.631 1.00 . A A . 18 TYR C 1 1 15 4343 1 1 18 TYR CA C 26.559 0.795 -0.108 1.00 . A A . 18 TYR CA 1 1 15 4344 1 1 18 TYR CB C 25.560 1.361 -1.125 1.00 . A A . 18 TYR CB 1 1 15 4345 1 1 18 TYR CD1 C 26.436 3.621 -1.828 1.00 . A A . 18 TYR CD1 1 1 15 4346 1 1 18 TYR CD2 C 26.814 1.723 -3.287 1.00 . A A . 18 TYR CD2 1 1 15 4347 1 1 18 TYR CE1 C 27.114 4.450 -2.731 1.00 . A A . 18 TYR CE1 1 1 15 4348 1 1 18 TYR CE2 C 27.491 2.554 -4.190 1.00 . A A . 18 TYR CE2 1 1 15 4349 1 1 18 TYR CG C 26.287 2.257 -2.105 1.00 . A A . 18 TYR CG 1 1 15 4350 1 1 18 TYR CZ C 27.639 3.916 -3.911 1.00 . A A . 18 TYR CZ 1 1 15 4351 1 1 18 TYR H H 24.853 -0.097 0.870 1.00 . A A . 18 TYR H 1 1 15 4352 1 1 18 TYR HA H 27.301 0.201 -0.622 1.00 . A A . 18 TYR HA 1 1 15 4353 1 1 18 TYR HB2 H 25.087 0.547 -1.658 1.00 . A A . 18 TYR HB2 1 1 15 4354 1 1 18 TYR HB3 H 24.809 1.934 -0.605 1.00 . A A . 18 TYR HB3 1 1 15 4355 1 1 18 TYR HD1 H 26.031 4.035 -0.917 1.00 . A A . 18 TYR HD1 1 1 15 4356 1 1 18 TYR HD2 H 26.701 0.673 -3.503 1.00 . A A . 18 TYR HD2 1 1 15 4357 1 1 18 TYR HE1 H 27.229 5.502 -2.518 1.00 . A A . 18 TYR HE1 1 1 15 4358 1 1 18 TYR HE2 H 27.896 2.144 -5.102 1.00 . A A . 18 TYR HE2 1 1 15 4359 1 1 18 TYR HH H 29.245 4.706 -4.569 1.00 . A A . 18 TYR HH 1 1 15 4360 1 1 18 TYR N N 25.836 -0.056 0.883 1.00 . A A . 18 TYR N 1 1 15 4361 1 1 18 TYR O O 28.395 2.249 0.390 1.00 . A A . 18 TYR O 1 1 15 4362 1 1 18 TYR OH O 28.311 4.731 -4.796 1.00 . A A . 18 TYR OH 1 1 15 4363 1 1 19 NH2 HN1 H 25.637 2.390 1.728 1.00 . A A . 19 NH2 HN1 1 1 15 4364 1 1 19 NH2 HN2 H 27.018 3.372 1.999 1.00 . A A . 19 NH2 HN2 1 1 15 4365 1 1 19 NH2 N N 26.580 2.628 1.525 1.00 . A A . 19 NH2 N 1 1 16 4366 1 1 1 GLY C C 2.621 1.502 0.755 1.00 . A A . 1 GLY C 1 1 16 4367 1 1 1 GLY CA C 1.460 2.397 0.318 1.00 . A A . 1 GLY CA 1 1 16 4368 1 1 1 GLY H1 H 0.985 4.406 0.588 1.00 . A A . 1 GLY H1 1 1 16 4369 1 1 1 GLY H2 H 2.370 4.142 -0.365 1.00 . A A . 1 GLY H2 1 1 16 4370 1 1 1 GLY H3 H 2.442 3.937 1.324 1.00 . A A . 1 GLY H3 1 1 16 4371 1 1 1 GLY HA2 H 0.595 2.182 0.928 1.00 . A A . 1 GLY HA2 1 1 16 4372 1 1 1 GLY HA3 H 1.228 2.201 -0.718 1.00 . A A . 1 GLY HA3 1 1 16 4373 1 1 1 GLY N N 1.841 3.827 0.481 1.00 . A A . 1 GLY N 1 1 16 4374 1 1 1 GLY O O 3.726 1.961 0.959 1.00 . A A . 1 GLY O 1 1 16 4375 1 1 2 GLU C C 4.691 -0.566 0.440 1.00 . A A . 2 GLU C 1 1 16 4376 1 1 2 GLU CA C 3.443 -0.723 1.324 1.00 . A A . 2 GLU CA 1 1 16 4377 1 1 2 GLU CB C 2.902 -2.152 1.196 1.00 . A A . 2 GLU CB 1 1 16 4378 1 1 2 GLU CD C 4.839 -3.366 0.145 1.00 . A A . 2 GLU CD 1 1 16 4379 1 1 2 GLU CG C 4.029 -3.169 1.432 1.00 . A A . 2 GLU CG 1 1 16 4380 1 1 2 GLU H H 1.466 -0.108 0.727 1.00 . A A . 2 GLU H 1 1 16 4381 1 1 2 GLU HA H 3.707 -0.532 2.353 1.00 . A A . 2 GLU HA 1 1 16 4382 1 1 2 GLU HB2 H 2.122 -2.305 1.927 1.00 . A A . 2 GLU HB2 1 1 16 4383 1 1 2 GLU HB3 H 2.496 -2.293 0.205 1.00 . A A . 2 GLU HB3 1 1 16 4384 1 1 2 GLU HG2 H 4.681 -2.809 2.216 1.00 . A A . 2 GLU HG2 1 1 16 4385 1 1 2 GLU HG3 H 3.601 -4.114 1.730 1.00 . A A . 2 GLU HG3 1 1 16 4386 1 1 2 GLU N N 2.371 0.230 0.897 1.00 . A A . 2 GLU N 1 1 16 4387 1 1 2 GLU O O 5.803 -0.482 0.930 1.00 . A A . 2 GLU O 1 1 16 4388 1 1 2 GLU OE1 O 4.232 -3.612 -0.882 1.00 . A A . 2 GLU OE1 1 1 16 4389 1 1 2 GLU OE2 O 6.052 -3.268 0.212 1.00 . A A . 2 GLU OE2 1 1 16 4390 1 1 3 CGU C C 6.649 0.653 -1.303 1.00 . A A . 3 CGU C 1 1 16 4391 1 1 3 CGU CA C 5.668 -0.422 -1.793 1.00 . A A . 3 CGU CA 1 1 16 4392 1 1 3 CGU CB C 5.139 -0.043 -3.195 1.00 . A A . 3 CGU CB 1 1 16 4393 1 1 3 CGU CD1 C 7.082 -1.176 -4.365 1.00 . A A . 3 CGU CD1 1 1 16 4394 1 1 3 CGU CD2 C 5.821 0.611 -5.540 1.00 . A A . 3 CGU CD2 1 1 16 4395 1 1 3 CGU CG C 6.319 0.143 -4.166 1.00 . A A . 3 CGU CG 1 1 16 4396 1 1 3 CGU H H 3.602 -0.626 -1.213 1.00 . A A . 3 CGU H 1 1 16 4397 1 1 3 CGU HA H 6.194 -1.372 -1.838 1.00 . A A . 3 CGU HA 1 1 16 4398 1 1 3 CGU HB2 H 4.593 0.889 -3.123 1.00 . A A . 3 CGU HB2 1 1 16 4399 1 1 3 CGU HB3 H 4.471 -0.815 -3.573 1.00 . A A . 3 CGU HB3 1 1 16 4400 1 1 3 CGU HG H 6.991 0.885 -3.765 1.00 . A A . 3 CGU HG 1 1 16 4401 1 1 3 CGU N N 4.508 -0.544 -0.854 1.00 . A A . 3 CGU N 1 1 16 4402 1 1 3 CGU O O 7.851 0.507 -1.450 1.00 . A A . 3 CGU O 1 1 16 4403 1 1 3 CGU OE11 O 8.193 -1.113 -4.871 1.00 . A A . 3 CGU OE11 1 1 16 4404 1 1 3 CGU OE12 O 6.546 -2.218 -4.035 1.00 . A A . 3 CGU OE12 1 1 16 4405 1 1 3 CGU OE21 O 6.593 0.515 -6.488 1.00 . A A . 3 CGU OE21 1 1 16 4406 1 1 3 CGU OE22 O 4.690 1.059 -5.631 1.00 . A A . 3 CGU OE22 1 1 16 4407 1 1 4 CGU C C 8.081 2.145 0.759 1.00 . A A . 4 CGU C 1 1 16 4408 1 1 4 CGU CA C 7.090 2.770 -0.218 1.00 . A A . 4 CGU CA 1 1 16 4409 1 1 4 CGU CB C 6.289 3.853 0.494 1.00 . A A . 4 CGU CB 1 1 16 4410 1 1 4 CGU CD1 C 6.429 6.213 -0.386 1.00 . A A . 4 CGU CD1 1 1 16 4411 1 1 4 CGU CD2 C 4.246 5.015 -0.352 1.00 . A A . 4 CGU CD2 1 1 16 4412 1 1 4 CGU CG C 5.751 4.844 -0.545 1.00 . A A . 4 CGU CG 1 1 16 4413 1 1 4 CGU H H 5.197 1.815 -0.595 1.00 . A A . 4 CGU H 1 1 16 4414 1 1 4 CGU HA H 7.626 3.204 -1.050 1.00 . A A . 4 CGU HA 1 1 16 4415 1 1 4 CGU HB2 H 6.929 4.370 1.192 1.00 . A A . 4 CGU HB2 1 1 16 4416 1 1 4 CGU HB3 H 5.464 3.397 1.029 1.00 . A A . 4 CGU HB3 1 1 16 4417 1 1 4 CGU HG H 5.944 4.460 -1.536 1.00 . A A . 4 CGU HG 1 1 16 4418 1 1 4 CGU N N 6.164 1.715 -0.716 1.00 . A A . 4 CGU N 1 1 16 4419 1 1 4 CGU O O 9.251 2.478 0.770 1.00 . A A . 4 CGU O 1 1 16 4420 1 1 4 CGU OE11 O 6.702 6.598 0.743 1.00 . A A . 4 CGU OE11 1 1 16 4421 1 1 4 CGU OE12 O 6.661 6.858 -1.395 1.00 . A A . 4 CGU OE12 1 1 16 4422 1 1 4 CGU OE21 O 3.854 5.605 0.639 1.00 . A A . 4 CGU OE21 1 1 16 4423 1 1 4 CGU OE22 O 3.502 4.531 -1.188 1.00 . A A . 4 CGU OE22 1 1 16 4424 1 1 5 LEU C C 9.446 -0.393 1.782 1.00 . A A . 5 LEU C 1 1 16 4425 1 1 5 LEU CA C 8.534 0.571 2.538 1.00 . A A . 5 LEU CA 1 1 16 4426 1 1 5 LEU CB C 7.707 -0.191 3.575 1.00 . A A . 5 LEU CB 1 1 16 4427 1 1 5 LEU CD1 C 5.834 1.396 4.123 1.00 . A A . 5 LEU CD1 1 1 16 4428 1 1 5 LEU CD2 C 6.918 0.054 5.929 1.00 . A A . 5 LEU CD2 1 1 16 4429 1 1 5 LEU CG C 7.155 0.793 4.613 1.00 . A A . 5 LEU CG 1 1 16 4430 1 1 5 LEU H H 6.678 0.967 1.532 1.00 . A A . 5 LEU H 1 1 16 4431 1 1 5 LEU HA H 9.136 1.318 3.033 1.00 . A A . 5 LEU HA 1 1 16 4432 1 1 5 LEU HB2 H 6.886 -0.697 3.081 1.00 . A A . 5 LEU HB2 1 1 16 4433 1 1 5 LEU HB3 H 8.332 -0.916 4.068 1.00 . A A . 5 LEU HB3 1 1 16 4434 1 1 5 LEU HD11 H 5.105 1.361 4.920 1.00 . A A . 5 LEU HD11 1 1 16 4435 1 1 5 LEU HD12 H 5.470 0.833 3.278 1.00 . A A . 5 LEU HD12 1 1 16 4436 1 1 5 LEU HD13 H 5.994 2.423 3.830 1.00 . A A . 5 LEU HD13 1 1 16 4437 1 1 5 LEU HD21 H 6.354 -0.846 5.738 1.00 . A A . 5 LEU HD21 1 1 16 4438 1 1 5 LEU HD22 H 6.366 0.692 6.604 1.00 . A A . 5 LEU HD22 1 1 16 4439 1 1 5 LEU HD23 H 7.869 -0.204 6.372 1.00 . A A . 5 LEU HD23 1 1 16 4440 1 1 5 LEU HG H 7.870 1.586 4.772 1.00 . A A . 5 LEU HG 1 1 16 4441 1 1 5 LEU N N 7.623 1.231 1.569 1.00 . A A . 5 LEU N 1 1 16 4442 1 1 5 LEU O O 10.652 -0.354 1.922 1.00 . A A . 5 LEU O 1 1 16 4443 1 1 6 ALA C C 10.889 -1.436 -0.452 1.00 . A A . 6 ALA C 1 1 16 4444 1 1 6 ALA CA C 9.730 -2.203 0.192 1.00 . A A . 6 ALA CA 1 1 16 4445 1 1 6 ALA CB C 8.885 -2.870 -0.897 1.00 . A A . 6 ALA CB 1 1 16 4446 1 1 6 ALA H H 7.907 -1.257 0.860 1.00 . A A . 6 ALA H 1 1 16 4447 1 1 6 ALA HA H 10.125 -2.957 0.857 1.00 . A A . 6 ALA HA 1 1 16 4448 1 1 6 ALA HB1 H 8.368 -3.724 -0.479 1.00 . A A . 6 ALA HB1 1 1 16 4449 1 1 6 ALA HB2 H 9.524 -3.198 -1.704 1.00 . A A . 6 ALA HB2 1 1 16 4450 1 1 6 ALA HB3 H 8.161 -2.164 -1.277 1.00 . A A . 6 ALA HB3 1 1 16 4451 1 1 6 ALA N N 8.884 -1.248 0.968 1.00 . A A . 6 ALA N 1 1 16 4452 1 1 6 ALA O O 12.033 -1.836 -0.368 1.00 . A A . 6 ALA O 1 1 16 4453 1 1 7 CGU C C 12.567 1.111 -0.654 1.00 . A A . 7 CGU C 1 1 16 4454 1 1 7 CGU CA C 11.671 0.479 -1.728 1.00 . A A . 7 CGU CA 1 1 16 4455 1 1 7 CGU CB C 11.025 1.593 -2.549 1.00 . A A . 7 CGU CB 1 1 16 4456 1 1 7 CGU CD1 C 9.121 2.021 -4.149 1.00 . A A . 7 CGU CD1 1 1 16 4457 1 1 7 CGU CD2 C 11.035 0.584 -4.873 1.00 . A A . 7 CGU CD2 1 1 16 4458 1 1 7 CGU CG C 10.155 0.986 -3.671 1.00 . A A . 7 CGU CG 1 1 16 4459 1 1 7 CGU H H 9.668 -0.020 -1.127 1.00 . A A . 7 CGU H 1 1 16 4460 1 1 7 CGU HA H 12.259 -0.154 -2.376 1.00 . A A . 7 CGU HA 1 1 16 4461 1 1 7 CGU HB2 H 11.799 2.200 -2.987 1.00 . A A . 7 CGU HB2 1 1 16 4462 1 1 7 CGU HB3 H 10.414 2.211 -1.897 1.00 . A A . 7 CGU HB3 1 1 16 4463 1 1 7 CGU HG H 9.639 0.106 -3.302 1.00 . A A . 7 CGU HG 1 1 16 4464 1 1 7 CGU N N 10.598 -0.327 -1.083 1.00 . A A . 7 CGU N 1 1 16 4465 1 1 7 CGU O O 13.763 0.886 -0.613 1.00 . A A . 7 CGU O 1 1 16 4466 1 1 7 CGU OE11 O 8.812 2.926 -3.394 1.00 . A A . 7 CGU OE11 1 1 16 4467 1 1 7 CGU OE12 O 8.643 1.880 -5.266 1.00 . A A . 7 CGU OE12 1 1 16 4468 1 1 7 CGU OE21 O 10.482 0.074 -5.840 1.00 . A A . 7 CGU OE21 1 1 16 4469 1 1 7 CGU OE22 O 12.235 0.790 -4.815 1.00 . A A . 7 CGU OE22 1 1 16 4470 1 1 8 LYS C C 13.523 1.541 2.138 1.00 . A A . 8 LYS C 1 1 16 4471 1 1 8 LYS CA C 12.791 2.582 1.281 1.00 . A A . 8 LYS CA 1 1 16 4472 1 1 8 LYS CB C 11.846 3.412 2.159 1.00 . A A . 8 LYS CB 1 1 16 4473 1 1 8 LYS CD C 10.211 5.319 2.066 1.00 . A A . 8 LYS CD 1 1 16 4474 1 1 8 LYS CE C 9.852 6.621 1.342 1.00 . A A . 8 LYS CE 1 1 16 4475 1 1 8 LYS CG C 11.458 4.699 1.420 1.00 . A A . 8 LYS CG 1 1 16 4476 1 1 8 LYS H H 11.026 2.077 0.150 1.00 . A A . 8 LYS H 1 1 16 4477 1 1 8 LYS HA H 13.519 3.240 0.824 1.00 . A A . 8 LYS HA 1 1 16 4478 1 1 8 LYS HB2 H 10.959 2.834 2.373 1.00 . A A . 8 LYS HB2 1 1 16 4479 1 1 8 LYS HB3 H 12.343 3.666 3.084 1.00 . A A . 8 LYS HB3 1 1 16 4480 1 1 8 LYS HD2 H 9.385 4.627 1.990 1.00 . A A . 8 LYS HD2 1 1 16 4481 1 1 8 LYS HD3 H 10.411 5.529 3.105 1.00 . A A . 8 LYS HD3 1 1 16 4482 1 1 8 LYS HE2 H 10.682 7.311 1.411 1.00 . A A . 8 LYS HE2 1 1 16 4483 1 1 8 LYS HE3 H 9.646 6.411 0.302 1.00 . A A . 8 LYS HE3 1 1 16 4484 1 1 8 LYS HG2 H 12.278 5.402 1.475 1.00 . A A . 8 LYS HG2 1 1 16 4485 1 1 8 LYS HG3 H 11.250 4.471 0.385 1.00 . A A . 8 LYS HG3 1 1 16 4486 1 1 8 LYS HZ1 H 8.679 8.262 1.877 1.00 . A A . 8 LYS HZ1 1 1 16 4487 1 1 8 LYS HZ2 H 8.613 6.977 2.984 1.00 . A A . 8 LYS HZ2 1 1 16 4488 1 1 8 LYS HZ3 H 7.775 6.870 1.495 1.00 . A A . 8 LYS HZ3 1 1 16 4489 1 1 8 LYS N N 11.993 1.911 0.210 1.00 . A A . 8 LYS N 1 1 16 4490 1 1 8 LYS NZ N 8.644 7.229 1.976 1.00 . A A . 8 LYS NZ 1 1 16 4491 1 1 8 LYS O O 14.683 1.702 2.468 1.00 . A A . 8 LYS O 1 1 16 4492 1 1 9 ALA C C 14.574 -1.311 2.492 1.00 . A A . 9 ALA C 1 1 16 4493 1 1 9 ALA CA C 13.520 -0.575 3.328 1.00 . A A . 9 ALA CA 1 1 16 4494 1 1 9 ALA CB C 12.467 -1.573 3.823 1.00 . A A . 9 ALA CB 1 1 16 4495 1 1 9 ALA H H 11.920 0.358 2.213 1.00 . A A . 9 ALA H 1 1 16 4496 1 1 9 ALA HA H 14.000 -0.110 4.177 1.00 . A A . 9 ALA HA 1 1 16 4497 1 1 9 ALA HB1 H 12.852 -2.109 4.678 1.00 . A A . 9 ALA HB1 1 1 16 4498 1 1 9 ALA HB2 H 12.231 -2.272 3.034 1.00 . A A . 9 ALA HB2 1 1 16 4499 1 1 9 ALA HB3 H 11.572 -1.039 4.108 1.00 . A A . 9 ALA HB3 1 1 16 4500 1 1 9 ALA N N 12.860 0.473 2.495 1.00 . A A . 9 ALA N 1 1 16 4501 1 1 9 ALA O O 15.617 -1.706 2.991 1.00 . A A . 9 ALA O 1 1 16 4502 1 1 10 CGU C C 16.474 -1.253 0.070 1.00 . A A . 10 CGU C 1 1 16 4503 1 1 10 CGU CA C 15.306 -2.205 0.379 1.00 . A A . 10 CGU CA 1 1 16 4504 1 1 10 CGU CB C 14.622 -2.679 -0.912 1.00 . A A . 10 CGU CB 1 1 16 4505 1 1 10 CGU CD1 C 15.145 -3.143 -3.341 1.00 . A A . 10 CGU CD1 1 1 16 4506 1 1 10 CGU CD2 C 16.294 -4.456 -1.555 1.00 . A A . 10 CGU CD2 1 1 16 4507 1 1 10 CGU CG C 15.700 -3.077 -1.911 1.00 . A A . 10 CGU CG 1 1 16 4508 1 1 10 CGU H H 13.483 -1.183 0.831 1.00 . A A . 10 CGU H 1 1 16 4509 1 1 10 CGU HA H 15.687 -3.058 0.916 1.00 . A A . 10 CGU HA 1 1 16 4510 1 1 10 CGU HB2 H 14.025 -1.882 -1.326 1.00 . A A . 10 CGU HB2 1 1 16 4511 1 1 10 CGU HB3 H 13.990 -3.530 -0.698 1.00 . A A . 10 CGU HB3 1 1 16 4512 1 1 10 CGU HG H 16.471 -2.333 -1.869 1.00 . A A . 10 CGU HG 1 1 16 4513 1 1 10 CGU N N 14.319 -1.502 1.225 1.00 . A A . 10 CGU N 1 1 16 4514 1 1 10 CGU O O 17.625 -1.636 0.137 1.00 . A A . 10 CGU O 1 1 16 4515 1 1 10 CGU OE11 O 13.943 -3.042 -3.507 1.00 . A A . 10 CGU OE11 1 1 16 4516 1 1 10 CGU OE12 O 15.954 -3.302 -4.251 1.00 . A A . 10 CGU OE12 1 1 16 4517 1 1 10 CGU OE21 O 16.922 -5.048 -2.427 1.00 . A A . 10 CGU OE21 1 1 16 4518 1 1 10 CGU OE22 O 16.123 -4.895 -0.428 1.00 . A A . 10 CGU OE22 1 1 16 4519 1 1 11 PHE C C 18.109 1.116 0.766 1.00 . A A . 11 PHE C 1 1 16 4520 1 1 11 PHE CA C 17.293 0.961 -0.512 1.00 . A A . 11 PHE CA 1 1 16 4521 1 1 11 PHE CB C 16.665 2.294 -0.959 1.00 . A A . 11 PHE CB 1 1 16 4522 1 1 11 PHE CD1 C 18.096 4.368 -1.079 1.00 . A A . 11 PHE CD1 1 1 16 4523 1 1 11 PHE CD2 C 17.149 3.735 1.058 1.00 . A A . 11 PHE CD2 1 1 16 4524 1 1 11 PHE CE1 C 18.671 5.499 -0.484 1.00 . A A . 11 PHE CE1 1 1 16 4525 1 1 11 PHE CE2 C 17.734 4.856 1.653 1.00 . A A . 11 PHE CE2 1 1 16 4526 1 1 11 PHE CG C 17.335 3.485 -0.307 1.00 . A A . 11 PHE CG 1 1 16 4527 1 1 11 PHE CZ C 18.492 5.741 0.882 1.00 . A A . 11 PHE CZ 1 1 16 4528 1 1 11 PHE H H 15.257 0.293 -0.254 1.00 . A A . 11 PHE H 1 1 16 4529 1 1 11 PHE HA H 17.935 0.585 -1.296 1.00 . A A . 11 PHE HA 1 1 16 4530 1 1 11 PHE HB2 H 16.758 2.384 -2.031 1.00 . A A . 11 PHE HB2 1 1 16 4531 1 1 11 PHE HB3 H 15.618 2.293 -0.700 1.00 . A A . 11 PHE HB3 1 1 16 4532 1 1 11 PHE HD1 H 18.254 4.169 -2.133 1.00 . A A . 11 PHE HD1 1 1 16 4533 1 1 11 PHE HD2 H 16.573 3.049 1.653 1.00 . A A . 11 PHE HD2 1 1 16 4534 1 1 11 PHE HE1 H 19.257 6.183 -1.080 1.00 . A A . 11 PHE HE1 1 1 16 4535 1 1 11 PHE HE2 H 17.595 5.043 2.708 1.00 . A A . 11 PHE HE2 1 1 16 4536 1 1 11 PHE HZ H 18.936 6.614 1.339 1.00 . A A . 11 PHE HZ 1 1 16 4537 1 1 11 PHE N N 16.192 -0.010 -0.235 1.00 . A A . 11 PHE N 1 1 16 4538 1 1 11 PHE O O 19.322 1.188 0.739 1.00 . A A . 11 PHE O 1 1 16 4539 1 1 12 ALA C C 19.150 0.103 3.326 1.00 . A A . 12 ALA C 1 1 16 4540 1 1 12 ALA CA C 18.165 1.262 3.182 1.00 . A A . 12 ALA CA 1 1 16 4541 1 1 12 ALA CB C 17.151 1.227 4.328 1.00 . A A . 12 ALA CB 1 1 16 4542 1 1 12 ALA H H 16.467 1.054 1.881 1.00 . A A . 12 ALA H 1 1 16 4543 1 1 12 ALA HA H 18.706 2.197 3.205 1.00 . A A . 12 ALA HA 1 1 16 4544 1 1 12 ALA HB1 H 17.640 0.899 5.235 1.00 . A A . 12 ALA HB1 1 1 16 4545 1 1 12 ALA HB2 H 16.353 0.542 4.082 1.00 . A A . 12 ALA HB2 1 1 16 4546 1 1 12 ALA HB3 H 16.743 2.216 4.477 1.00 . A A . 12 ALA HB3 1 1 16 4547 1 1 12 ALA N N 17.446 1.136 1.889 1.00 . A A . 12 ALA N 1 1 16 4548 1 1 12 ALA O O 20.183 0.237 3.937 1.00 . A A . 12 ALA O 1 1 16 4549 1 1 13 ARG C C 20.963 -2.015 1.925 1.00 . A A . 13 ARG C 1 1 16 4550 1 1 13 ARG CA C 19.780 -2.191 2.886 1.00 . A A . 13 ARG CA 1 1 16 4551 1 1 13 ARG CB C 19.034 -3.483 2.552 1.00 . A A . 13 ARG CB 1 1 16 4552 1 1 13 ARG CD C 17.102 -4.858 3.339 1.00 . A A . 13 ARG CD 1 1 16 4553 1 1 13 ARG CG C 18.254 -3.956 3.781 1.00 . A A . 13 ARG CG 1 1 16 4554 1 1 13 ARG CZ C 14.790 -4.569 2.707 1.00 . A A . 13 ARG CZ 1 1 16 4555 1 1 13 ARG H H 17.999 -1.132 2.269 1.00 . A A . 13 ARG H 1 1 16 4556 1 1 13 ARG HA H 20.152 -2.246 3.900 1.00 . A A . 13 ARG HA 1 1 16 4557 1 1 13 ARG HB2 H 18.348 -3.301 1.735 1.00 . A A . 13 ARG HB2 1 1 16 4558 1 1 13 ARG HB3 H 19.742 -4.245 2.262 1.00 . A A . 13 ARG HB3 1 1 16 4559 1 1 13 ARG HD2 H 17.397 -5.415 2.459 1.00 . A A . 13 ARG HD2 1 1 16 4560 1 1 13 ARG HD3 H 16.857 -5.546 4.136 1.00 . A A . 13 ARG HD3 1 1 16 4561 1 1 13 ARG HE H 15.979 -3.021 3.060 1.00 . A A . 13 ARG HE 1 1 16 4562 1 1 13 ARG HG2 H 18.914 -4.507 4.437 1.00 . A A . 13 ARG HG2 1 1 16 4563 1 1 13 ARG HG3 H 17.856 -3.100 4.308 1.00 . A A . 13 ARG HG3 1 1 16 4564 1 1 13 ARG HH11 H 13.989 -4.288 4.501 1.00 . A A . 13 ARG HH11 1 1 16 4565 1 1 13 ARG HH12 H 12.978 -5.078 3.344 1.00 . A A . 13 ARG HH12 1 1 16 4566 1 1 13 ARG HH21 H 15.346 -4.967 0.831 1.00 . A A . 13 ARG HH21 1 1 16 4567 1 1 13 ARG HH22 H 13.741 -5.464 1.274 1.00 . A A . 13 ARG HH22 1 1 16 4568 1 1 13 ARG N N 18.844 -1.036 2.767 1.00 . A A . 13 ARG N 1 1 16 4569 1 1 13 ARG NE N 15.913 -4.014 3.023 1.00 . A A . 13 ARG NE 1 1 16 4570 1 1 13 ARG NH1 N 13.846 -4.652 3.583 1.00 . A A . 13 ARG NH1 1 1 16 4571 1 1 13 ARG NH2 N 14.609 -5.037 1.516 1.00 . A A . 13 ARG NH2 1 1 16 4572 1 1 13 ARG O O 22.102 -1.908 2.341 1.00 . A A . 13 ARG O 1 1 16 4573 1 1 14 CGU C C 22.608 -0.571 -0.094 1.00 . A A . 14 CGU C 1 1 16 4574 1 1 14 CGU CA C 21.804 -1.850 -0.346 1.00 . A A . 14 CGU CA 1 1 16 4575 1 1 14 CGU CB C 21.200 -1.827 -1.753 1.00 . A A . 14 CGU CB 1 1 16 4576 1 1 14 CGU CD1 C 19.259 -3.362 -1.709 1.00 . A A . 14 CGU CD1 1 1 16 4577 1 1 14 CGU CD2 C 20.853 -3.491 -3.620 1.00 . A A . 14 CGU CD2 1 1 16 4578 1 1 14 CGU CG C 20.724 -3.236 -2.107 1.00 . A A . 14 CGU CG 1 1 16 4579 1 1 14 CGU H H 19.782 -2.097 0.332 1.00 . A A . 14 CGU H 1 1 16 4580 1 1 14 CGU HA H 22.467 -2.699 -0.264 1.00 . A A . 14 CGU HA 1 1 16 4581 1 1 14 CGU HB2 H 21.937 -1.502 -2.461 1.00 . A A . 14 CGU HB2 1 1 16 4582 1 1 14 CGU HB3 H 20.355 -1.150 -1.776 1.00 . A A . 14 CGU HB3 1 1 16 4583 1 1 14 CGU HG H 21.308 -3.963 -1.564 1.00 . A A . 14 CGU HG 1 1 16 4584 1 1 14 CGU N N 20.704 -1.998 0.646 1.00 . A A . 14 CGU N 1 1 16 4585 1 1 14 CGU O O 23.821 -0.585 -0.137 1.00 . A A . 14 CGU O 1 1 16 4586 1 1 14 CGU OE11 O 18.435 -2.795 -2.406 1.00 . A A . 14 CGU OE11 1 1 16 4587 1 1 14 CGU OE12 O 18.984 -4.018 -0.722 1.00 . A A . 14 CGU OE12 1 1 16 4588 1 1 14 CGU OE21 O 21.933 -3.279 -4.144 1.00 . A A . 14 CGU OE21 1 1 16 4589 1 1 14 CGU OE22 O 19.864 -3.904 -4.232 1.00 . A A . 14 CGU OE22 1 1 16 4590 1 1 15 LEU C C 23.374 1.775 1.773 1.00 . A A . 15 LEU C 1 1 16 4591 1 1 15 LEU CA C 22.721 1.791 0.386 1.00 . A A . 15 LEU CA 1 1 16 4592 1 1 15 LEU CB C 21.776 2.988 0.209 1.00 . A A . 15 LEU CB 1 1 16 4593 1 1 15 LEU CD1 C 20.482 2.341 -1.841 1.00 . A A . 15 LEU CD1 1 1 16 4594 1 1 15 LEU CD2 C 21.178 4.708 -1.505 1.00 . A A . 15 LEU CD2 1 1 16 4595 1 1 15 LEU CG C 21.578 3.254 -1.292 1.00 . A A . 15 LEU CG 1 1 16 4596 1 1 15 LEU H H 20.980 0.547 0.190 1.00 . A A . 15 LEU H 1 1 16 4597 1 1 15 LEU HA H 23.510 1.851 -0.349 1.00 . A A . 15 LEU HA 1 1 16 4598 1 1 15 LEU HB2 H 20.818 2.767 0.664 1.00 . A A . 15 LEU HB2 1 1 16 4599 1 1 15 LEU HB3 H 22.199 3.864 0.675 1.00 . A A . 15 LEU HB3 1 1 16 4600 1 1 15 LEU HD11 H 19.629 2.366 -1.182 1.00 . A A . 15 LEU HD11 1 1 16 4601 1 1 15 LEU HD12 H 20.855 1.330 -1.908 1.00 . A A . 15 LEU HD12 1 1 16 4602 1 1 15 LEU HD13 H 20.188 2.682 -2.823 1.00 . A A . 15 LEU HD13 1 1 16 4603 1 1 15 LEU HD21 H 20.960 5.165 -0.551 1.00 . A A . 15 LEU HD21 1 1 16 4604 1 1 15 LEU HD22 H 20.303 4.752 -2.136 1.00 . A A . 15 LEU HD22 1 1 16 4605 1 1 15 LEU HD23 H 21.988 5.237 -1.979 1.00 . A A . 15 LEU HD23 1 1 16 4606 1 1 15 LEU HG H 22.497 3.056 -1.821 1.00 . A A . 15 LEU HG 1 1 16 4607 1 1 15 LEU N N 21.960 0.535 0.158 1.00 . A A . 15 LEU N 1 1 16 4608 1 1 15 LEU O O 24.437 2.334 1.963 1.00 . A A . 15 LEU O 1 1 16 4609 1 1 16 ALA C C 24.492 -0.059 4.048 1.00 . A A . 16 ALA C 1 1 16 4610 1 1 16 ALA CA C 23.433 1.048 4.078 1.00 . A A . 16 ALA CA 1 1 16 4611 1 1 16 ALA CB C 22.398 0.740 5.162 1.00 . A A . 16 ALA CB 1 1 16 4612 1 1 16 ALA H H 21.945 0.638 2.568 1.00 . A A . 16 ALA H 1 1 16 4613 1 1 16 ALA HA H 23.913 1.994 4.291 1.00 . A A . 16 ALA HA 1 1 16 4614 1 1 16 ALA HB1 H 21.586 1.451 5.097 1.00 . A A . 16 ALA HB1 1 1 16 4615 1 1 16 ALA HB2 H 22.863 0.814 6.134 1.00 . A A . 16 ALA HB2 1 1 16 4616 1 1 16 ALA HB3 H 22.015 -0.259 5.020 1.00 . A A . 16 ALA HB3 1 1 16 4617 1 1 16 ALA N N 22.785 1.112 2.734 1.00 . A A . 16 ALA N 1 1 16 4618 1 1 16 ALA O O 25.522 0.039 4.682 1.00 . A A . 16 ALA O 1 1 16 4619 1 1 17 ASN C C 26.517 -1.691 2.532 1.00 . A A . 17 ASN C 1 1 16 4620 1 1 17 ASN CA C 25.258 -2.212 3.234 1.00 . A A . 17 ASN CA 1 1 16 4621 1 1 17 ASN CB C 24.676 -3.408 2.463 1.00 . A A . 17 ASN CB 1 1 16 4622 1 1 17 ASN CG C 25.767 -4.457 2.210 1.00 . A A . 17 ASN CG 1 1 16 4623 1 1 17 ASN H H 23.409 -1.172 2.791 1.00 . A A . 17 ASN H 1 1 16 4624 1 1 17 ASN HA H 25.514 -2.521 4.236 1.00 . A A . 17 ASN HA 1 1 16 4625 1 1 17 ASN HB2 H 23.883 -3.859 3.046 1.00 . A A . 17 ASN HB2 1 1 16 4626 1 1 17 ASN HB3 H 24.275 -3.074 1.519 1.00 . A A . 17 ASN HB3 1 1 16 4627 1 1 17 ASN HD21 H 26.982 -3.765 3.618 1.00 . A A . 17 ASN HD21 1 1 16 4628 1 1 17 ASN HD22 H 27.556 -5.116 2.754 1.00 . A A . 17 ASN HD22 1 1 16 4629 1 1 17 ASN N N 24.251 -1.112 3.304 1.00 . A A . 17 ASN N 1 1 16 4630 1 1 17 ASN ND2 N 26.858 -4.445 2.919 1.00 . A A . 17 ASN ND2 1 1 16 4631 1 1 17 ASN O O 27.626 -2.013 2.916 1.00 . A A . 17 ASN O 1 1 16 4632 1 1 17 ASN OD1 O 25.620 -5.298 1.353 1.00 . A A . 17 ASN OD1 1 1 16 4633 1 1 18 TYR C C 28.310 0.628 1.757 1.00 . A A . 18 TYR C 1 1 16 4634 1 1 18 TYR CA C 27.553 -0.322 0.815 1.00 . A A . 18 TYR CA 1 1 16 4635 1 1 18 TYR CB C 27.095 0.442 -0.435 1.00 . A A . 18 TYR CB 1 1 16 4636 1 1 18 TYR CD1 C 26.684 -1.869 -1.431 1.00 . A A . 18 TYR CD1 1 1 16 4637 1 1 18 TYR CD2 C 25.468 0.036 -2.328 1.00 . A A . 18 TYR CD2 1 1 16 4638 1 1 18 TYR CE1 C 26.037 -2.709 -2.351 1.00 . A A . 18 TYR CE1 1 1 16 4639 1 1 18 TYR CE2 C 24.823 -0.809 -3.245 1.00 . A A . 18 TYR CE2 1 1 16 4640 1 1 18 TYR CG C 26.400 -0.490 -1.418 1.00 . A A . 18 TYR CG 1 1 16 4641 1 1 18 TYR CZ C 25.109 -2.180 -3.256 1.00 . A A . 18 TYR CZ 1 1 16 4642 1 1 18 TYR H H 25.467 -0.605 1.234 1.00 . A A . 18 TYR H 1 1 16 4643 1 1 18 TYR HA H 28.208 -1.130 0.524 1.00 . A A . 18 TYR HA 1 1 16 4644 1 1 18 TYR HB2 H 26.411 1.226 -0.141 1.00 . A A . 18 TYR HB2 1 1 16 4645 1 1 18 TYR HB3 H 27.953 0.884 -0.910 1.00 . A A . 18 TYR HB3 1 1 16 4646 1 1 18 TYR HD1 H 27.398 -2.284 -0.736 1.00 . A A . 18 TYR HD1 1 1 16 4647 1 1 18 TYR HD2 H 25.247 1.093 -2.324 1.00 . A A . 18 TYR HD2 1 1 16 4648 1 1 18 TYR HE1 H 26.255 -3.768 -2.361 1.00 . A A . 18 TYR HE1 1 1 16 4649 1 1 18 TYR HE2 H 24.107 -0.403 -3.943 1.00 . A A . 18 TYR HE2 1 1 16 4650 1 1 18 TYR HH H 23.528 -2.983 -3.994 1.00 . A A . 18 TYR HH 1 1 16 4651 1 1 18 TYR N N 26.363 -0.871 1.521 1.00 . A A . 18 TYR N 1 1 16 4652 1 1 18 TYR O O 28.590 1.757 1.415 1.00 . A A . 18 TYR O 1 1 16 4653 1 1 18 TYR OH O 24.481 -3.012 -4.161 1.00 . A A . 18 TYR OH 1 1 16 4654 1 1 19 NH2 HN1 H 28.424 -0.711 3.229 1.00 . A A . 19 NH2 HN1 1 1 16 4655 1 1 19 NH2 HN2 H 29.130 0.820 3.555 1.00 . A A . 19 NH2 HN2 1 1 16 4656 1 1 19 NH2 N N 28.651 0.213 2.944 1.00 . A A . 19 NH2 N 1 1 17 4657 1 1 1 GLY C C 2.782 1.877 0.979 1.00 . A A . 1 GLY C 1 1 17 4658 1 1 1 GLY CA C 1.791 2.989 0.622 1.00 . A A . 1 GLY CA 1 1 17 4659 1 1 1 GLY H1 H 2.704 4.857 0.814 1.00 . A A . 1 GLY H1 1 1 17 4660 1 1 1 GLY H2 H 2.649 3.954 2.258 1.00 . A A . 1 GLY H2 1 1 17 4661 1 1 1 GLY H3 H 1.241 4.707 1.671 1.00 . A A . 1 GLY H3 1 1 17 4662 1 1 1 GLY HA2 H 0.789 2.664 0.861 1.00 . A A . 1 GLY HA2 1 1 17 4663 1 1 1 GLY HA3 H 1.857 3.201 -0.434 1.00 . A A . 1 GLY HA3 1 1 17 4664 1 1 1 GLY N N 2.119 4.218 1.402 1.00 . A A . 1 GLY N 1 1 17 4665 1 1 1 GLY O O 3.921 2.131 1.320 1.00 . A A . 1 GLY O 1 1 17 4666 1 1 2 GLU C C 4.440 -0.562 0.280 1.00 . A A . 2 GLU C 1 1 17 4667 1 1 2 GLU CA C 3.230 -0.511 1.229 1.00 . A A . 2 GLU CA 1 1 17 4668 1 1 2 GLU CB C 2.410 -1.801 1.086 1.00 . A A . 2 GLU CB 1 1 17 4669 1 1 2 GLU CD C 1.423 -0.727 -0.974 1.00 . A A . 2 GLU CD 1 1 17 4670 1 1 2 GLU CG C 2.002 -2.018 -0.385 1.00 . A A . 2 GLU CG 1 1 17 4671 1 1 2 GLU H H 1.415 0.484 0.621 1.00 . A A . 2 GLU H 1 1 17 4672 1 1 2 GLU HA H 3.581 -0.423 2.246 1.00 . A A . 2 GLU HA 1 1 17 4673 1 1 2 GLU HB2 H 3.003 -2.640 1.422 1.00 . A A . 2 GLU HB2 1 1 17 4674 1 1 2 GLU HB3 H 1.521 -1.728 1.696 1.00 . A A . 2 GLU HB3 1 1 17 4675 1 1 2 GLU HG2 H 2.868 -2.315 -0.958 1.00 . A A . 2 GLU HG2 1 1 17 4676 1 1 2 GLU HG3 H 1.256 -2.797 -0.437 1.00 . A A . 2 GLU HG3 1 1 17 4677 1 1 2 GLU N N 2.347 0.652 0.902 1.00 . A A . 2 GLU N 1 1 17 4678 1 1 2 GLU O O 5.527 -0.937 0.670 1.00 . A A . 2 GLU O 1 1 17 4679 1 1 2 GLU OE1 O 0.459 -0.224 -0.419 1.00 . A A . 2 GLU OE1 1 1 17 4680 1 1 2 GLU OE2 O 1.976 -0.242 -1.945 1.00 . A A . 2 GLU OE2 1 1 17 4681 1 1 3 CGU C C 6.519 0.693 -1.494 1.00 . A A . 3 CGU C 1 1 17 4682 1 1 3 CGU CA C 5.397 -0.266 -1.927 1.00 . A A . 3 CGU CA 1 1 17 4683 1 1 3 CGU CB C 4.894 0.146 -3.327 1.00 . A A . 3 CGU CB 1 1 17 4684 1 1 3 CGU CD1 C 6.569 -1.393 -4.419 1.00 . A A . 3 CGU CD1 1 1 17 4685 1 1 3 CGU CD2 C 5.622 0.488 -5.728 1.00 . A A . 3 CGU CD2 1 1 17 4686 1 1 3 CGU CG C 6.055 0.049 -4.325 1.00 . A A . 3 CGU CG 1 1 17 4687 1 1 3 CGU H H 3.365 0.067 -1.271 1.00 . A A . 3 CGU H 1 1 17 4688 1 1 3 CGU HA H 5.796 -1.276 -1.957 1.00 . A A . 3 CGU HA 1 1 17 4689 1 1 3 CGU HB2 H 4.545 1.169 -3.290 1.00 . A A . 3 CGU HB2 1 1 17 4690 1 1 3 CGU HB3 H 4.076 -0.499 -3.646 1.00 . A A . 3 CGU HB3 1 1 17 4691 1 1 3 CGU HG H 6.858 0.687 -3.990 1.00 . A A . 3 CGU HG 1 1 17 4692 1 1 3 CGU N N 4.261 -0.213 -0.962 1.00 . A A . 3 CGU N 1 1 17 4693 1 1 3 CGU O O 7.684 0.442 -1.740 1.00 . A A . 3 CGU O 1 1 17 4694 1 1 3 CGU OE11 O 5.796 -2.306 -4.185 1.00 . A A . 3 CGU OE11 1 1 17 4695 1 1 3 CGU OE12 O 7.733 -1.553 -4.753 1.00 . A A . 3 CGU OE12 1 1 17 4696 1 1 3 CGU OE21 O 4.544 1.041 -5.863 1.00 . A A . 3 CGU OE21 1 1 17 4697 1 1 3 CGU OE22 O 6.396 0.262 -6.652 1.00 . A A . 3 CGU OE22 1 1 17 4698 1 1 4 CGU C C 8.239 2.112 0.499 1.00 . A A . 4 CGU C 1 1 17 4699 1 1 4 CGU CA C 7.226 2.767 -0.449 1.00 . A A . 4 CGU CA 1 1 17 4700 1 1 4 CGU CB C 6.557 3.939 0.262 1.00 . A A . 4 CGU CB 1 1 17 4701 1 1 4 CGU CD1 C 6.257 6.336 -0.447 1.00 . A A . 4 CGU CD1 1 1 17 4702 1 1 4 CGU CD2 C 4.394 4.699 -0.739 1.00 . A A . 4 CGU CD2 1 1 17 4703 1 1 4 CGU CG C 5.915 4.874 -0.773 1.00 . A A . 4 CGU CG 1 1 17 4704 1 1 4 CGU H H 5.237 1.981 -0.693 1.00 . A A . 4 CGU H 1 1 17 4705 1 1 4 CGU HA H 7.744 3.132 -1.324 1.00 . A A . 4 CGU HA 1 1 17 4706 1 1 4 CGU HB2 H 7.297 4.481 0.827 1.00 . A A . 4 CGU HB2 1 1 17 4707 1 1 4 CGU HB3 H 5.795 3.563 0.933 1.00 . A A . 4 CGU HB3 1 1 17 4708 1 1 4 CGU HG H 6.282 4.631 -1.759 1.00 . A A . 4 CGU HG 1 1 17 4709 1 1 4 CGU N N 6.181 1.790 -0.871 1.00 . A A . 4 CGU N 1 1 17 4710 1 1 4 CGU O O 9.428 2.103 0.238 1.00 . A A . 4 CGU O 1 1 17 4711 1 1 4 CGU OE11 O 6.412 7.110 -1.375 1.00 . A A . 4 CGU OE11 1 1 17 4712 1 1 4 CGU OE12 O 6.366 6.656 0.729 1.00 . A A . 4 CGU OE12 1 1 17 4713 1 1 4 CGU OE21 O 3.895 3.872 -1.481 1.00 . A A . 4 CGU OE21 1 1 17 4714 1 1 4 CGU OE22 O 3.751 5.385 0.040 1.00 . A A . 4 CGU OE22 1 1 17 4715 1 1 5 LEU C C 9.545 -0.135 1.882 1.00 . A A . 5 LEU C 1 1 17 4716 1 1 5 LEU CA C 8.724 0.953 2.575 1.00 . A A . 5 LEU CA 1 1 17 4717 1 1 5 LEU CB C 7.938 0.390 3.761 1.00 . A A . 5 LEU CB 1 1 17 4718 1 1 5 LEU CD1 C 7.915 -2.057 3.313 1.00 . A A . 5 LEU CD1 1 1 17 4719 1 1 5 LEU CD2 C 5.919 -0.962 4.329 1.00 . A A . 5 LEU CD2 1 1 17 4720 1 1 5 LEU CG C 7.069 -0.787 3.333 1.00 . A A . 5 LEU CG 1 1 17 4721 1 1 5 LEU H H 6.827 1.612 1.808 1.00 . A A . 5 LEU H 1 1 17 4722 1 1 5 LEU HA H 9.402 1.697 2.941 1.00 . A A . 5 LEU HA 1 1 17 4723 1 1 5 LEU HB2 H 8.632 0.061 4.507 1.00 . A A . 5 LEU HB2 1 1 17 4724 1 1 5 LEU HB3 H 7.309 1.168 4.172 1.00 . A A . 5 LEU HB3 1 1 17 4725 1 1 5 LEU HD11 H 8.943 -1.808 3.536 1.00 . A A . 5 LEU HD11 1 1 17 4726 1 1 5 LEU HD12 H 7.857 -2.510 2.337 1.00 . A A . 5 LEU HD12 1 1 17 4727 1 1 5 LEU HD13 H 7.543 -2.746 4.053 1.00 . A A . 5 LEU HD13 1 1 17 4728 1 1 5 LEU HD21 H 6.008 -0.228 5.115 1.00 . A A . 5 LEU HD21 1 1 17 4729 1 1 5 LEU HD22 H 5.961 -1.953 4.756 1.00 . A A . 5 LEU HD22 1 1 17 4730 1 1 5 LEU HD23 H 4.978 -0.831 3.818 1.00 . A A . 5 LEU HD23 1 1 17 4731 1 1 5 LEU HG H 6.672 -0.604 2.349 1.00 . A A . 5 LEU HG 1 1 17 4732 1 1 5 LEU N N 7.784 1.583 1.607 1.00 . A A . 5 LEU N 1 1 17 4733 1 1 5 LEU O O 10.748 -0.197 2.027 1.00 . A A . 5 LEU O 1 1 17 4734 1 1 6 ALA C C 10.861 -1.421 -0.319 1.00 . A A . 6 ALA C 1 1 17 4735 1 1 6 ALA CA C 9.672 -2.054 0.413 1.00 . A A . 6 ALA CA 1 1 17 4736 1 1 6 ALA CB C 8.751 -2.744 -0.599 1.00 . A A . 6 ALA CB 1 1 17 4737 1 1 6 ALA H H 7.944 -0.907 1.020 1.00 . A A . 6 ALA H 1 1 17 4738 1 1 6 ALA HA H 10.032 -2.779 1.130 1.00 . A A . 6 ALA HA 1 1 17 4739 1 1 6 ALA HB1 H 9.337 -3.389 -1.238 1.00 . A A . 6 ALA HB1 1 1 17 4740 1 1 6 ALA HB2 H 8.252 -1.999 -1.200 1.00 . A A . 6 ALA HB2 1 1 17 4741 1 1 6 ALA HB3 H 8.015 -3.334 -0.072 1.00 . A A . 6 ALA HB3 1 1 17 4742 1 1 6 ALA N N 8.913 -0.980 1.124 1.00 . A A . 6 ALA N 1 1 17 4743 1 1 6 ALA O O 11.995 -1.847 -0.181 1.00 . A A . 6 ALA O 1 1 17 4744 1 1 7 CGU C C 12.617 1.013 -0.822 1.00 . A A . 7 CGU C 1 1 17 4745 1 1 7 CGU CA C 11.694 0.299 -1.820 1.00 . A A . 7 CGU CA 1 1 17 4746 1 1 7 CGU CB C 11.072 1.330 -2.762 1.00 . A A . 7 CGU CB 1 1 17 4747 1 1 7 CGU CD1 C 9.065 1.657 -4.263 1.00 . A A . 7 CGU CD1 1 1 17 4748 1 1 7 CGU CD2 C 10.817 -0.015 -4.895 1.00 . A A . 7 CGU CD2 1 1 17 4749 1 1 7 CGU CG C 10.071 0.631 -3.710 1.00 . A A . 7 CGU CG 1 1 17 4750 1 1 7 CGU H H 9.685 -0.062 -1.162 1.00 . A A . 7 CGU H 1 1 17 4751 1 1 7 CGU HA H 12.258 -0.422 -2.395 1.00 . A A . 7 CGU HA 1 1 17 4752 1 1 7 CGU HB2 H 11.851 1.794 -3.345 1.00 . A A . 7 CGU HB2 1 1 17 4753 1 1 7 CGU HB3 H 10.563 2.091 -2.177 1.00 . A A . 7 CGU HB3 1 1 17 4754 1 1 7 CGU HG H 9.534 -0.142 -3.172 1.00 . A A . 7 CGU HG 1 1 17 4755 1 1 7 CGU N N 10.605 -0.391 -1.082 1.00 . A A . 7 CGU N 1 1 17 4756 1 1 7 CGU O O 13.819 0.811 -0.811 1.00 . A A . 7 CGU O 1 1 17 4757 1 1 7 CGU OE11 O 8.748 2.596 -3.553 1.00 . A A . 7 CGU OE11 1 1 17 4758 1 1 7 CGU OE12 O 8.614 1.474 -5.384 1.00 . A A . 7 CGU OE12 1 1 17 4759 1 1 7 CGU OE21 O 10.157 -0.655 -5.703 1.00 . A A . 7 CGU OE21 1 1 17 4760 1 1 7 CGU OE22 O 12.023 0.140 -4.982 1.00 . A A . 7 CGU OE22 1 1 17 4761 1 1 8 LYS C C 13.657 1.595 1.892 1.00 . A A . 8 LYS C 1 1 17 4762 1 1 8 LYS CA C 12.872 2.588 1.026 1.00 . A A . 8 LYS CA 1 1 17 4763 1 1 8 LYS CB C 11.938 3.416 1.912 1.00 . A A . 8 LYS CB 1 1 17 4764 1 1 8 LYS CD C 10.138 5.150 1.817 1.00 . A A . 8 LYS CD 1 1 17 4765 1 1 8 LYS CE C 9.588 6.350 1.041 1.00 . A A . 8 LYS CE 1 1 17 4766 1 1 8 LYS CG C 11.375 4.593 1.106 1.00 . A A . 8 LYS CG 1 1 17 4767 1 1 8 LYS H H 11.081 1.984 -0.013 1.00 . A A . 8 LYS H 1 1 17 4768 1 1 8 LYS HA H 13.561 3.246 0.520 1.00 . A A . 8 LYS HA 1 1 17 4769 1 1 8 LYS HB2 H 11.125 2.793 2.257 1.00 . A A . 8 LYS HB2 1 1 17 4770 1 1 8 LYS HB3 H 12.488 3.794 2.761 1.00 . A A . 8 LYS HB3 1 1 17 4771 1 1 8 LYS HD2 H 9.383 4.381 1.873 1.00 . A A . 8 LYS HD2 1 1 17 4772 1 1 8 LYS HD3 H 10.408 5.462 2.816 1.00 . A A . 8 LYS HD3 1 1 17 4773 1 1 8 LYS HE2 H 10.376 7.076 0.892 1.00 . A A . 8 LYS HE2 1 1 17 4774 1 1 8 LYS HE3 H 9.216 6.020 0.080 1.00 . A A . 8 LYS HE3 1 1 17 4775 1 1 8 LYS HG2 H 12.127 5.367 1.027 1.00 . A A . 8 LYS HG2 1 1 17 4776 1 1 8 LYS HG3 H 11.100 4.255 0.117 1.00 . A A . 8 LYS HG3 1 1 17 4777 1 1 8 LYS HZ1 H 7.559 6.803 1.330 1.00 . A A . 8 LYS HZ1 1 1 17 4778 1 1 8 LYS HZ2 H 8.639 7.996 1.904 1.00 . A A . 8 LYS HZ2 1 1 17 4779 1 1 8 LYS HZ3 H 8.437 6.547 2.769 1.00 . A A . 8 LYS HZ3 1 1 17 4780 1 1 8 LYS N N 12.053 1.846 0.018 1.00 . A A . 8 LYS N 1 1 17 4781 1 1 8 LYS NZ N 8.476 6.971 1.822 1.00 . A A . 8 LYS NZ 1 1 17 4782 1 1 8 LYS O O 14.853 1.729 2.089 1.00 . A A . 8 LYS O 1 1 17 4783 1 1 9 ALA C C 14.730 -1.156 2.413 1.00 . A A . 9 ALA C 1 1 17 4784 1 1 9 ALA CA C 13.680 -0.421 3.248 1.00 . A A . 9 ALA CA 1 1 17 4785 1 1 9 ALA CB C 12.651 -1.422 3.780 1.00 . A A . 9 ALA CB 1 1 17 4786 1 1 9 ALA H H 12.028 0.499 2.215 1.00 . A A . 9 ALA H 1 1 17 4787 1 1 9 ALA HA H 14.165 0.073 4.077 1.00 . A A . 9 ALA HA 1 1 17 4788 1 1 9 ALA HB1 H 11.781 -0.890 4.135 1.00 . A A . 9 ALA HB1 1 1 17 4789 1 1 9 ALA HB2 H 13.084 -1.986 4.594 1.00 . A A . 9 ALA HB2 1 1 17 4790 1 1 9 ALA HB3 H 12.360 -2.097 2.988 1.00 . A A . 9 ALA HB3 1 1 17 4791 1 1 9 ALA N N 12.992 0.592 2.400 1.00 . A A . 9 ALA N 1 1 17 4792 1 1 9 ALA O O 15.841 -1.380 2.857 1.00 . A A . 9 ALA O 1 1 17 4793 1 1 10 CGU C C 16.539 -1.273 0.039 1.00 . A A . 10 CGU C 1 1 17 4794 1 1 10 CGU CA C 15.377 -2.234 0.357 1.00 . A A . 10 CGU CA 1 1 17 4795 1 1 10 CGU CB C 14.681 -2.729 -0.923 1.00 . A A . 10 CGU CB 1 1 17 4796 1 1 10 CGU CD1 C 15.137 -3.200 -3.366 1.00 . A A . 10 CGU CD1 1 1 17 4797 1 1 10 CGU CD2 C 16.455 -4.383 -1.617 1.00 . A A . 10 CGU CD2 1 1 17 4798 1 1 10 CGU CG C 15.742 -3.060 -1.966 1.00 . A A . 10 CGU CG 1 1 17 4799 1 1 10 CGU H H 13.504 -1.332 0.851 1.00 . A A . 10 CGU H 1 1 17 4800 1 1 10 CGU HA H 15.763 -3.083 0.905 1.00 . A A . 10 CGU HA 1 1 17 4801 1 1 10 CGU HB2 H 14.025 -1.963 -1.306 1.00 . A A . 10 CGU HB2 1 1 17 4802 1 1 10 CGU HB3 H 14.104 -3.616 -0.699 1.00 . A A . 10 CGU HB3 1 1 17 4803 1 1 10 CGU HG H 16.452 -2.258 -1.975 1.00 . A A . 10 CGU HG 1 1 17 4804 1 1 10 CGU N N 14.395 -1.526 1.202 1.00 . A A . 10 CGU N 1 1 17 4805 1 1 10 CGU O O 17.695 -1.623 0.171 1.00 . A A . 10 CGU O 1 1 17 4806 1 1 10 CGU OE11 O 15.919 -3.245 -4.310 1.00 . A A . 10 CGU OE11 1 1 17 4807 1 1 10 CGU OE12 O 13.925 -3.271 -3.479 1.00 . A A . 10 CGU OE12 1 1 17 4808 1 1 10 CGU OE21 O 16.361 -4.818 -0.483 1.00 . A A . 10 CGU OE21 1 1 17 4809 1 1 10 CGU OE22 O 17.095 -4.934 -2.503 1.00 . A A . 10 CGU OE22 1 1 17 4810 1 1 11 PHE C C 18.094 1.146 0.710 1.00 . A A . 11 PHE C 1 1 17 4811 1 1 11 PHE CA C 17.343 0.930 -0.602 1.00 . A A . 11 PHE CA 1 1 17 4812 1 1 11 PHE CB C 16.714 2.230 -1.137 1.00 . A A . 11 PHE CB 1 1 17 4813 1 1 11 PHE CD1 C 17.223 3.796 0.789 1.00 . A A . 11 PHE CD1 1 1 17 4814 1 1 11 PHE CD2 C 18.090 4.328 -1.408 1.00 . A A . 11 PHE CD2 1 1 17 4815 1 1 11 PHE CE1 C 17.790 4.967 1.300 1.00 . A A . 11 PHE CE1 1 1 17 4816 1 1 11 PHE CE2 C 18.662 5.500 -0.893 1.00 . A A . 11 PHE CE2 1 1 17 4817 1 1 11 PHE CG C 17.370 3.474 -0.566 1.00 . A A . 11 PHE CG 1 1 17 4818 1 1 11 PHE CZ C 18.509 5.820 0.459 1.00 . A A . 11 PHE CZ 1 1 17 4819 1 1 11 PHE H H 15.313 0.236 -0.394 1.00 . A A . 11 PHE H 1 1 17 4820 1 1 11 PHE HA H 18.028 0.532 -1.337 1.00 . A A . 11 PHE HA 1 1 17 4821 1 1 11 PHE HB2 H 16.812 2.248 -2.211 1.00 . A A . 11 PHE HB2 1 1 17 4822 1 1 11 PHE HB3 H 15.666 2.238 -0.886 1.00 . A A . 11 PHE HB3 1 1 17 4823 1 1 11 PHE HD1 H 16.675 3.138 1.440 1.00 . A A . 11 PHE HD1 1 1 17 4824 1 1 11 PHE HD2 H 18.223 4.076 -2.452 1.00 . A A . 11 PHE HD2 1 1 17 4825 1 1 11 PHE HE1 H 17.673 5.212 2.346 1.00 . A A . 11 PHE HE1 1 1 17 4826 1 1 11 PHE HE2 H 19.216 6.161 -1.544 1.00 . A A . 11 PHE HE2 1 1 17 4827 1 1 11 PHE HZ H 18.948 6.725 0.854 1.00 . A A . 11 PHE HZ 1 1 17 4828 1 1 11 PHE N N 16.248 -0.050 -0.330 1.00 . A A . 11 PHE N 1 1 17 4829 1 1 11 PHE O O 19.307 1.201 0.745 1.00 . A A . 11 PHE O 1 1 17 4830 1 1 12 ALA C C 18.962 0.224 3.371 1.00 . A A . 12 ALA C 1 1 17 4831 1 1 12 ALA CA C 18.029 1.407 3.117 1.00 . A A . 12 ALA CA 1 1 17 4832 1 1 12 ALA CB C 16.961 1.471 4.213 1.00 . A A . 12 ALA CB 1 1 17 4833 1 1 12 ALA H H 16.392 1.152 1.744 1.00 . A A . 12 ALA H 1 1 17 4834 1 1 12 ALA HA H 18.601 2.324 3.115 1.00 . A A . 12 ALA HA 1 1 17 4835 1 1 12 ALA HB1 H 16.536 2.463 4.245 1.00 . A A . 12 ALA HB1 1 1 17 4836 1 1 12 ALA HB2 H 17.408 1.240 5.169 1.00 . A A . 12 ALA HB2 1 1 17 4837 1 1 12 ALA HB3 H 16.182 0.755 3.998 1.00 . A A . 12 ALA HB3 1 1 17 4838 1 1 12 ALA N N 17.373 1.227 1.797 1.00 . A A . 12 ALA N 1 1 17 4839 1 1 12 ALA O O 19.860 0.299 4.181 1.00 . A A . 12 ALA O 1 1 17 4840 1 1 13 ARG C C 20.885 -1.891 1.990 1.00 . A A . 13 ARG C 1 1 17 4841 1 1 13 ARG CA C 19.647 -2.051 2.875 1.00 . A A . 13 ARG CA 1 1 17 4842 1 1 13 ARG CB C 18.895 -3.332 2.487 1.00 . A A . 13 ARG CB 1 1 17 4843 1 1 13 ARG CD C 18.696 -4.288 4.794 1.00 . A A . 13 ARG CD 1 1 17 4844 1 1 13 ARG CG C 17.920 -3.727 3.600 1.00 . A A . 13 ARG CG 1 1 17 4845 1 1 13 ARG CZ C 18.925 -2.346 6.220 1.00 . A A . 13 ARG CZ 1 1 17 4846 1 1 13 ARG H H 18.028 -0.907 2.027 1.00 . A A . 13 ARG H 1 1 17 4847 1 1 13 ARG HA H 19.952 -2.109 3.909 1.00 . A A . 13 ARG HA 1 1 17 4848 1 1 13 ARG HB2 H 18.345 -3.163 1.574 1.00 . A A . 13 ARG HB2 1 1 17 4849 1 1 13 ARG HB3 H 19.604 -4.132 2.332 1.00 . A A . 13 ARG HB3 1 1 17 4850 1 1 13 ARG HD2 H 18.419 -5.323 4.946 1.00 . A A . 13 ARG HD2 1 1 17 4851 1 1 13 ARG HD3 H 19.757 -4.228 4.597 1.00 . A A . 13 ARG HD3 1 1 17 4852 1 1 13 ARG HE H 17.731 -3.851 6.673 1.00 . A A . 13 ARG HE 1 1 17 4853 1 1 13 ARG HG2 H 17.357 -2.859 3.910 1.00 . A A . 13 ARG HG2 1 1 17 4854 1 1 13 ARG HG3 H 17.240 -4.480 3.230 1.00 . A A . 13 ARG HG3 1 1 17 4855 1 1 13 ARG HH11 H 17.703 -1.382 4.985 1.00 . A A . 13 ARG HH11 1 1 17 4856 1 1 13 ARG HH12 H 18.918 -0.413 5.749 1.00 . A A . 13 ARG HH12 1 1 17 4857 1 1 13 ARG HH21 H 20.268 -3.062 7.497 1.00 . A A . 13 ARG HH21 1 1 17 4858 1 1 13 ARG HH22 H 20.358 -1.363 7.186 1.00 . A A . 13 ARG HH22 1 1 17 4859 1 1 13 ARG N N 18.760 -0.869 2.681 1.00 . A A . 13 ARG N 1 1 17 4860 1 1 13 ARG NE N 18.367 -3.498 6.018 1.00 . A A . 13 ARG NE 1 1 17 4861 1 1 13 ARG NH1 N 18.479 -1.300 5.609 1.00 . A A . 13 ARG NH1 1 1 17 4862 1 1 13 ARG NH2 N 19.927 -2.249 7.030 1.00 . A A . 13 ARG NH2 1 1 17 4863 1 1 13 ARG O O 21.990 -1.774 2.479 1.00 . A A . 13 ARG O 1 1 17 4864 1 1 14 CGU C C 22.622 -0.428 0.075 1.00 . A A . 14 CGU C 1 1 17 4865 1 1 14 CGU CA C 21.861 -1.719 -0.232 1.00 . A A . 14 CGU CA 1 1 17 4866 1 1 14 CGU CB C 21.338 -1.677 -1.673 1.00 . A A . 14 CGU CB 1 1 17 4867 1 1 14 CGU CD1 C 19.359 -3.175 -1.614 1.00 . A A . 14 CGU CD1 1 1 17 4868 1 1 14 CGU CD2 C 20.860 -3.253 -3.597 1.00 . A A . 14 CGU CD2 1 1 17 4869 1 1 14 CGU CG C 20.808 -3.061 -2.066 1.00 . A A . 14 CGU CG 1 1 17 4870 1 1 14 CGU H H 19.802 -1.969 0.325 1.00 . A A . 14 CGU H 1 1 17 4871 1 1 14 CGU HA H 22.530 -2.559 -0.114 1.00 . A A . 14 CGU HA 1 1 17 4872 1 1 14 CGU HB2 H 22.131 -1.390 -2.337 1.00 . A A . 14 CGU HB2 1 1 17 4873 1 1 14 CGU HB3 H 20.535 -0.954 -1.742 1.00 . A A . 14 CGU HB3 1 1 17 4874 1 1 14 CGU HG H 21.396 -3.822 -1.581 1.00 . A A . 14 CGU HG 1 1 17 4875 1 1 14 CGU N N 20.705 -1.875 0.694 1.00 . A A . 14 CGU N 1 1 17 4876 1 1 14 CGU O O 23.834 -0.378 -0.026 1.00 . A A . 14 CGU O 1 1 17 4877 1 1 14 CGU OE11 O 18.513 -2.595 -2.274 1.00 . A A . 14 CGU OE11 1 1 17 4878 1 1 14 CGU OE12 O 19.117 -3.838 -0.625 1.00 . A A . 14 CGU OE12 1 1 17 4879 1 1 14 CGU OE21 O 21.879 -2.929 -4.179 1.00 . A A . 14 CGU OE21 1 1 17 4880 1 1 14 CGU OE22 O 19.872 -3.727 -4.162 1.00 . A A . 14 CGU OE22 1 1 17 4881 1 1 15 LEU C C 23.109 1.923 2.185 1.00 . A A . 15 LEU C 1 1 17 4882 1 1 15 LEU CA C 22.639 1.895 0.725 1.00 . A A . 15 LEU CA 1 1 17 4883 1 1 15 LEU CB C 21.701 3.071 0.409 1.00 . A A . 15 LEU CB 1 1 17 4884 1 1 15 LEU CD1 C 20.570 2.361 -1.713 1.00 . A A . 15 LEU CD1 1 1 17 4885 1 1 15 LEU CD2 C 21.300 4.726 -1.423 1.00 . A A . 15 LEU CD2 1 1 17 4886 1 1 15 LEU CG C 21.640 3.271 -1.113 1.00 . A A . 15 LEU CG 1 1 17 4887 1 1 15 LEU H H 20.956 0.577 0.500 1.00 . A A . 15 LEU H 1 1 17 4888 1 1 15 LEU HA H 23.508 1.959 0.092 1.00 . A A . 15 LEU HA 1 1 17 4889 1 1 15 LEU HB2 H 20.708 2.856 0.782 1.00 . A A . 15 LEU HB2 1 1 17 4890 1 1 15 LEU HB3 H 22.072 3.971 0.873 1.00 . A A . 15 LEU HB3 1 1 17 4891 1 1 15 LEU HD11 H 19.660 2.455 -1.142 1.00 . A A . 15 LEU HD11 1 1 17 4892 1 1 15 LEU HD12 H 20.908 1.336 -1.682 1.00 . A A . 15 LEU HD12 1 1 17 4893 1 1 15 LEU HD13 H 20.384 2.648 -2.736 1.00 . A A . 15 LEU HD13 1 1 17 4894 1 1 15 LEU HD21 H 22.184 5.237 -1.766 1.00 . A A . 15 LEU HD21 1 1 17 4895 1 1 15 LEU HD22 H 20.931 5.205 -0.528 1.00 . A A . 15 LEU HD22 1 1 17 4896 1 1 15 LEU HD23 H 20.542 4.759 -2.191 1.00 . A A . 15 LEU HD23 1 1 17 4897 1 1 15 LEU HG H 22.594 3.026 -1.552 1.00 . A A . 15 LEU HG 1 1 17 4898 1 1 15 LEU N N 21.934 0.622 0.433 1.00 . A A . 15 LEU N 1 1 17 4899 1 1 15 LEU O O 23.962 2.710 2.547 1.00 . A A . 15 LEU O 1 1 17 4900 1 1 16 ALA C C 24.544 0.612 4.460 1.00 . A A . 16 ALA C 1 1 17 4901 1 1 16 ALA CA C 23.072 1.031 4.442 1.00 . A A . 16 ALA CA 1 1 17 4902 1 1 16 ALA CB C 22.245 0.038 5.263 1.00 . A A . 16 ALA CB 1 1 17 4903 1 1 16 ALA H H 21.934 0.400 2.716 1.00 . A A . 16 ALA H 1 1 17 4904 1 1 16 ALA HA H 22.978 2.022 4.867 1.00 . A A . 16 ALA HA 1 1 17 4905 1 1 16 ALA HB1 H 21.415 0.557 5.720 1.00 . A A . 16 ALA HB1 1 1 17 4906 1 1 16 ALA HB2 H 22.865 -0.396 6.034 1.00 . A A . 16 ALA HB2 1 1 17 4907 1 1 16 ALA HB3 H 21.873 -0.742 4.618 1.00 . A A . 16 ALA HB3 1 1 17 4908 1 1 16 ALA N N 22.600 1.051 3.023 1.00 . A A . 16 ALA N 1 1 17 4909 1 1 16 ALA O O 25.370 1.243 5.089 1.00 . A A . 16 ALA O 1 1 17 4910 1 1 17 ASN C C 27.115 0.172 2.943 1.00 . A A . 17 ASN C 1 1 17 4911 1 1 17 ASN CA C 26.314 -0.874 3.724 1.00 . A A . 17 ASN CA 1 1 17 4912 1 1 17 ASN CB C 26.432 -2.235 3.030 1.00 . A A . 17 ASN CB 1 1 17 4913 1 1 17 ASN CG C 25.606 -2.227 1.746 1.00 . A A . 17 ASN CG 1 1 17 4914 1 1 17 ASN H H 24.206 -0.932 3.239 1.00 . A A . 17 ASN H 1 1 17 4915 1 1 17 ASN HA H 26.697 -0.942 4.732 1.00 . A A . 17 ASN HA 1 1 17 4916 1 1 17 ASN HB2 H 27.468 -2.429 2.791 1.00 . A A . 17 ASN HB2 1 1 17 4917 1 1 17 ASN HB3 H 26.064 -3.008 3.686 1.00 . A A . 17 ASN HB3 1 1 17 4918 1 1 17 ASN HD21 H 27.146 -1.765 0.586 1.00 . A A . 17 ASN HD21 1 1 17 4919 1 1 17 ASN HD22 H 25.651 -1.949 -0.213 1.00 . A A . 17 ASN HD22 1 1 17 4920 1 1 17 ASN N N 24.886 -0.441 3.757 1.00 . A A . 17 ASN N 1 1 17 4921 1 1 17 ASN ND2 N 26.183 -1.960 0.613 1.00 . A A . 17 ASN ND2 1 1 17 4922 1 1 17 ASN O O 28.256 0.455 3.247 1.00 . A A . 17 ASN O 1 1 17 4923 1 1 17 ASN OD1 O 24.419 -2.462 1.776 1.00 . A A . 17 ASN OD1 1 1 17 4924 1 1 18 TYR C C 27.294 3.096 1.916 1.00 . A A . 18 TYR C 1 1 17 4925 1 1 18 TYR CA C 27.201 1.783 1.120 1.00 . A A . 18 TYR CA 1 1 17 4926 1 1 18 TYR CB C 26.406 2.017 -0.170 1.00 . A A . 18 TYR CB 1 1 17 4927 1 1 18 TYR CD1 C 28.275 3.041 -1.527 1.00 . A A . 18 TYR CD1 1 1 17 4928 1 1 18 TYR CD2 C 26.301 4.371 -1.070 1.00 . A A . 18 TYR CD2 1 1 17 4929 1 1 18 TYR CE1 C 28.831 4.112 -2.238 1.00 . A A . 18 TYR CE1 1 1 17 4930 1 1 18 TYR CE2 C 26.857 5.440 -1.782 1.00 . A A . 18 TYR CE2 1 1 17 4931 1 1 18 TYR CG C 27.008 3.171 -0.943 1.00 . A A . 18 TYR CG 1 1 17 4932 1 1 18 TYR CZ C 28.121 5.309 -2.365 1.00 . A A . 18 TYR CZ 1 1 17 4933 1 1 18 TYR H H 25.588 0.487 1.721 1.00 . A A . 18 TYR H 1 1 17 4934 1 1 18 TYR HA H 28.197 1.444 0.872 1.00 . A A . 18 TYR HA 1 1 17 4935 1 1 18 TYR HB2 H 26.433 1.123 -0.778 1.00 . A A . 18 TYR HB2 1 1 17 4936 1 1 18 TYR HB3 H 25.382 2.249 0.079 1.00 . A A . 18 TYR HB3 1 1 17 4937 1 1 18 TYR HD1 H 28.825 2.116 -1.430 1.00 . A A . 18 TYR HD1 1 1 17 4938 1 1 18 TYR HD2 H 25.324 4.474 -0.619 1.00 . A A . 18 TYR HD2 1 1 17 4939 1 1 18 TYR HE1 H 29.808 4.015 -2.690 1.00 . A A . 18 TYR HE1 1 1 17 4940 1 1 18 TYR HE2 H 26.311 6.366 -1.882 1.00 . A A . 18 TYR HE2 1 1 17 4941 1 1 18 TYR HH H 29.174 6.892 -2.441 1.00 . A A . 18 TYR HH 1 1 17 4942 1 1 18 TYR N N 26.509 0.744 1.937 1.00 . A A . 18 TYR N 1 1 17 4943 1 1 18 TYR O O 28.346 3.691 2.014 1.00 . A A . 18 TYR O 1 1 17 4944 1 1 18 TYR OH O 28.669 6.362 -3.061 1.00 . A A . 18 TYR OH 1 1 17 4945 1 1 19 NH2 HN1 H 25.360 3.108 2.424 1.00 . A A . 19 NH2 HN1 1 1 17 4946 1 1 19 NH2 HN2 H 26.294 4.424 3.002 1.00 . A A . 19 NH2 HN2 1 1 17 4947 1 1 19 NH2 N N 26.230 3.583 2.494 1.00 . A A . 19 NH2 N 1 1 18 4948 1 1 1 GLY C C 3.150 2.743 1.091 1.00 . A A . 1 GLY C 1 1 18 4949 1 1 1 GLY CA C 2.575 4.121 0.754 1.00 . A A . 1 GLY CA 1 1 18 4950 1 1 1 GLY H1 H 3.816 5.805 0.657 1.00 . A A . 1 GLY H1 1 1 18 4951 1 1 1 GLY H2 H 4.194 4.725 1.922 1.00 . A A . 1 GLY H2 1 1 18 4952 1 1 1 GLY H3 H 2.837 5.740 2.047 1.00 . A A . 1 GLY H3 1 1 18 4953 1 1 1 GLY HA2 H 1.564 4.189 1.128 1.00 . A A . 1 GLY HA2 1 1 18 4954 1 1 1 GLY HA3 H 2.574 4.258 -0.318 1.00 . A A . 1 GLY HA3 1 1 18 4955 1 1 1 GLY N N 3.418 5.176 1.394 1.00 . A A . 1 GLY N 1 1 18 4956 1 1 1 GLY O O 4.144 2.634 1.783 1.00 . A A . 1 GLY O 1 1 18 4957 1 1 2 GLU C C 4.281 0.043 -0.008 1.00 . A A . 2 GLU C 1 1 18 4958 1 1 2 GLU CA C 3.055 0.319 0.869 1.00 . A A . 2 GLU CA 1 1 18 4959 1 1 2 GLU CB C 1.958 -0.720 0.565 1.00 . A A . 2 GLU CB 1 1 18 4960 1 1 2 GLU CD C 1.507 0.257 -1.718 1.00 . A A . 2 GLU CD 1 1 18 4961 1 1 2 GLU CG C 0.886 -0.131 -0.372 1.00 . A A . 2 GLU CG 1 1 18 4962 1 1 2 GLU H H 1.756 1.816 0.023 1.00 . A A . 2 GLU H 1 1 18 4963 1 1 2 GLU HA H 3.339 0.244 1.910 1.00 . A A . 2 GLU HA 1 1 18 4964 1 1 2 GLU HB2 H 2.406 -1.584 0.094 1.00 . A A . 2 GLU HB2 1 1 18 4965 1 1 2 GLU HB3 H 1.491 -1.024 1.491 1.00 . A A . 2 GLU HB3 1 1 18 4966 1 1 2 GLU HG2 H 0.117 -0.872 -0.539 1.00 . A A . 2 GLU HG2 1 1 18 4967 1 1 2 GLU HG3 H 0.446 0.741 0.084 1.00 . A A . 2 GLU HG3 1 1 18 4968 1 1 2 GLU N N 2.544 1.697 0.595 1.00 . A A . 2 GLU N 1 1 18 4969 1 1 2 GLU O O 5.252 -0.542 0.428 1.00 . A A . 2 GLU O 1 1 18 4970 1 1 2 GLU OE1 O 2.025 1.362 -1.814 1.00 . A A . 2 GLU OE1 1 1 18 4971 1 1 2 GLU OE2 O 1.463 -0.555 -2.623 1.00 . A A . 2 GLU OE2 1 1 18 4972 1 1 3 CGU C C 6.547 1.171 -1.734 1.00 . A A . 3 CGU C 1 1 18 4973 1 1 3 CGU CA C 5.402 0.236 -2.147 1.00 . A A . 3 CGU CA 1 1 18 4974 1 1 3 CGU CB C 4.971 0.546 -3.601 1.00 . A A . 3 CGU CB 1 1 18 4975 1 1 3 CGU CD1 C 6.784 -0.976 -4.488 1.00 . A A . 3 CGU CD1 1 1 18 4976 1 1 3 CGU CD2 C 5.793 0.729 -5.989 1.00 . A A . 3 CGU CD2 1 1 18 4977 1 1 3 CGU CG C 6.186 0.435 -4.534 1.00 . A A . 3 CGU CG 1 1 18 4978 1 1 3 CGU H H 3.442 0.938 -1.571 1.00 . A A . 3 CGU H 1 1 18 4979 1 1 3 CGU HA H 5.738 -0.793 -2.060 1.00 . A A . 3 CGU HA 1 1 18 4980 1 1 3 CGU HB2 H 4.585 1.556 -3.645 1.00 . A A . 3 CGU HB2 1 1 18 4981 1 1 3 CGU HB3 H 4.194 -0.144 -3.927 1.00 . A A . 3 CGU HB3 1 1 18 4982 1 1 3 CGU HG H 6.933 1.147 -4.222 1.00 . A A . 3 CGU HG 1 1 18 4983 1 1 3 CGU N N 4.244 0.464 -1.240 1.00 . A A . 3 CGU N 1 1 18 4984 1 1 3 CGU O O 7.711 0.870 -1.927 1.00 . A A . 3 CGU O 1 1 18 4985 1 1 3 CGU OE11 O 7.944 -1.107 -4.849 1.00 . A A . 3 CGU OE11 1 1 18 4986 1 1 3 CGU OE12 O 6.079 -1.899 -4.122 1.00 . A A . 3 CGU OE12 1 1 18 4987 1 1 3 CGU OE21 O 6.651 0.559 -6.848 1.00 . A A . 3 CGU OE21 1 1 18 4988 1 1 3 CGU OE22 O 4.660 1.112 -6.225 1.00 . A A . 3 CGU OE22 1 1 18 4989 1 1 4 CGU C C 8.133 2.647 0.375 1.00 . A A . 4 CGU C 1 1 18 4990 1 1 4 CGU CA C 7.271 3.265 -0.729 1.00 . A A . 4 CGU CA 1 1 18 4991 1 1 4 CGU CB C 6.600 4.533 -0.198 1.00 . A A . 4 CGU CB 1 1 18 4992 1 1 4 CGU CD1 C 8.048 6.180 -1.412 1.00 . A A . 4 CGU CD1 1 1 18 4993 1 1 4 CGU CD2 C 5.670 6.758 -0.887 1.00 . A A . 4 CGU CD2 1 1 18 4994 1 1 4 CGU CG C 6.623 5.620 -1.280 1.00 . A A . 4 CGU CG 1 1 18 4995 1 1 4 CGU H H 5.275 2.510 -1.019 1.00 . A A . 4 CGU H 1 1 18 4996 1 1 4 CGU HA H 7.897 3.516 -1.573 1.00 . A A . 4 CGU HA 1 1 18 4997 1 1 4 CGU HB2 H 7.134 4.887 0.674 1.00 . A A . 4 CGU HB2 1 1 18 4998 1 1 4 CGU HB3 H 5.578 4.310 0.070 1.00 . A A . 4 CGU HB3 1 1 18 4999 1 1 4 CGU HG H 6.311 5.197 -2.223 1.00 . A A . 4 CGU HG 1 1 18 5000 1 1 4 CGU N N 6.220 2.298 -1.163 1.00 . A A . 4 CGU N 1 1 18 5001 1 1 4 CGU O O 9.339 2.543 0.245 1.00 . A A . 4 CGU O 1 1 18 5002 1 1 4 CGU OE11 O 8.610 6.576 -0.400 1.00 . A A . 4 CGU OE11 1 1 18 5003 1 1 4 CGU OE12 O 8.558 6.202 -2.519 1.00 . A A . 4 CGU OE12 1 1 18 5004 1 1 4 CGU OE21 O 4.613 6.460 -0.346 1.00 . A A . 4 CGU OE21 1 1 18 5005 1 1 4 CGU OE22 O 6.006 7.903 -1.135 1.00 . A A . 4 CGU OE22 1 1 18 5006 1 1 5 LEU C C 9.177 0.497 2.028 1.00 . A A . 5 LEU C 1 1 18 5007 1 1 5 LEU CA C 8.316 1.637 2.572 1.00 . A A . 5 LEU CA 1 1 18 5008 1 1 5 LEU CB C 7.360 1.145 3.663 1.00 . A A . 5 LEU CB 1 1 18 5009 1 1 5 LEU CD1 C 7.329 -1.323 3.357 1.00 . A A . 5 LEU CD1 1 1 18 5010 1 1 5 LEU CD2 C 5.234 -0.121 3.972 1.00 . A A . 5 LEU CD2 1 1 18 5011 1 1 5 LEU CG C 6.532 -0.035 3.167 1.00 . A A . 5 LEU CG 1 1 18 5012 1 1 5 LEU H H 6.557 2.331 1.552 1.00 . A A . 5 LEU H 1 1 18 5013 1 1 5 LEU HA H 8.964 2.378 2.993 1.00 . A A . 5 LEU HA 1 1 18 5014 1 1 5 LEU HB2 H 7.935 0.841 4.514 1.00 . A A . 5 LEU HB2 1 1 18 5015 1 1 5 LEU HB3 H 6.697 1.952 3.947 1.00 . A A . 5 LEU HB3 1 1 18 5016 1 1 5 LEU HD11 H 7.347 -1.872 2.429 1.00 . A A . 5 LEU HD11 1 1 18 5017 1 1 5 LEU HD12 H 6.867 -1.922 4.124 1.00 . A A . 5 LEU HD12 1 1 18 5018 1 1 5 LEU HD13 H 8.341 -1.080 3.652 1.00 . A A . 5 LEU HD13 1 1 18 5019 1 1 5 LEU HD21 H 4.662 -0.975 3.640 1.00 . A A . 5 LEU HD21 1 1 18 5020 1 1 5 LEU HD22 H 4.658 0.779 3.825 1.00 . A A . 5 LEU HD22 1 1 18 5021 1 1 5 LEU HD23 H 5.468 -0.231 5.021 1.00 . A A . 5 LEU HD23 1 1 18 5022 1 1 5 LEU HG H 6.302 0.099 2.123 1.00 . A A . 5 LEU HG 1 1 18 5023 1 1 5 LEU N N 7.528 2.240 1.464 1.00 . A A . 5 LEU N 1 1 18 5024 1 1 5 LEU O O 10.356 0.412 2.310 1.00 . A A . 5 LEU O 1 1 18 5025 1 1 6 ALA C C 10.597 -0.933 -0.093 1.00 . A A . 6 ALA C 1 1 18 5026 1 1 6 ALA CA C 9.380 -1.492 0.653 1.00 . A A . 6 ALA CA 1 1 18 5027 1 1 6 ALA CB C 8.490 -2.268 -0.323 1.00 . A A . 6 ALA CB 1 1 18 5028 1 1 6 ALA H H 7.652 -0.257 1.026 1.00 . A A . 6 ALA H 1 1 18 5029 1 1 6 ALA HA H 9.710 -2.152 1.443 1.00 . A A . 6 ALA HA 1 1 18 5030 1 1 6 ALA HB1 H 7.663 -2.707 0.214 1.00 . A A . 6 ALA HB1 1 1 18 5031 1 1 6 ALA HB2 H 9.068 -3.051 -0.794 1.00 . A A . 6 ALA HB2 1 1 18 5032 1 1 6 ALA HB3 H 8.112 -1.596 -1.079 1.00 . A A . 6 ALA HB3 1 1 18 5033 1 1 6 ALA N N 8.600 -0.362 1.239 1.00 . A A . 6 ALA N 1 1 18 5034 1 1 6 ALA O O 11.729 -1.309 0.165 1.00 . A A . 6 ALA O 1 1 18 5035 1 1 7 CGU C C 12.478 1.207 -0.777 1.00 . A A . 7 CGU C 1 1 18 5036 1 1 7 CGU CA C 11.498 0.578 -1.766 1.00 . A A . 7 CGU CA 1 1 18 5037 1 1 7 CGU CB C 10.953 1.656 -2.702 1.00 . A A . 7 CGU CB 1 1 18 5038 1 1 7 CGU CD1 C 9.174 2.066 -4.448 1.00 . A A . 7 CGU CD1 1 1 18 5039 1 1 7 CGU CD2 C 10.957 0.371 -4.885 1.00 . A A . 7 CGU CD2 1 1 18 5040 1 1 7 CGU CG C 10.073 1.004 -3.793 1.00 . A A . 7 CGU CG 1 1 18 5041 1 1 7 CGU H H 9.451 0.272 -1.190 1.00 . A A . 7 CGU H 1 1 18 5042 1 1 7 CGU HA H 12.001 -0.186 -2.342 1.00 . A A . 7 CGU HA 1 1 18 5043 1 1 7 CGU HB2 H 11.777 2.168 -3.170 1.00 . A A . 7 CGU HB2 1 1 18 5044 1 1 7 CGU HB3 H 10.369 2.370 -2.129 1.00 . A A . 7 CGU HB3 1 1 18 5045 1 1 7 CGU HG H 9.452 0.231 -3.353 1.00 . A A . 7 CGU HG 1 1 18 5046 1 1 7 CGU N N 10.369 -0.024 -1.009 1.00 . A A . 7 CGU N 1 1 18 5047 1 1 7 CGU O O 13.666 0.943 -0.807 1.00 . A A . 7 CGU O 1 1 18 5048 1 1 7 CGU OE11 O 8.778 1.859 -5.587 1.00 . A A . 7 CGU OE11 1 1 18 5049 1 1 7 CGU OE12 O 8.881 3.058 -3.801 1.00 . A A . 7 CGU OE12 1 1 18 5050 1 1 7 CGU OE21 O 12.166 0.513 -4.815 1.00 . A A . 7 CGU OE21 1 1 18 5051 1 1 7 CGU OE22 O 10.397 -0.246 -5.785 1.00 . A A . 7 CGU OE22 1 1 18 5052 1 1 8 LYS C C 13.562 1.581 1.944 1.00 . A A . 8 LYS C 1 1 18 5053 1 1 8 LYS CA C 12.869 2.672 1.119 1.00 . A A . 8 LYS CA 1 1 18 5054 1 1 8 LYS CB C 12.027 3.559 2.043 1.00 . A A . 8 LYS CB 1 1 18 5055 1 1 8 LYS CD C 12.431 5.664 0.732 1.00 . A A . 8 LYS CD 1 1 18 5056 1 1 8 LYS CE C 11.774 6.978 0.296 1.00 . A A . 8 LYS CE 1 1 18 5057 1 1 8 LYS CG C 11.363 4.686 1.238 1.00 . A A . 8 LYS CG 1 1 18 5058 1 1 8 LYS H H 11.014 2.213 0.120 1.00 . A A . 8 LYS H 1 1 18 5059 1 1 8 LYS HA H 13.611 3.274 0.620 1.00 . A A . 8 LYS HA 1 1 18 5060 1 1 8 LYS HB2 H 11.265 2.956 2.516 1.00 . A A . 8 LYS HB2 1 1 18 5061 1 1 8 LYS HB3 H 12.666 3.989 2.801 1.00 . A A . 8 LYS HB3 1 1 18 5062 1 1 8 LYS HD2 H 13.138 5.864 1.525 1.00 . A A . 8 LYS HD2 1 1 18 5063 1 1 8 LYS HD3 H 12.950 5.228 -0.109 1.00 . A A . 8 LYS HD3 1 1 18 5064 1 1 8 LYS HE2 H 11.142 7.345 1.094 1.00 . A A . 8 LYS HE2 1 1 18 5065 1 1 8 LYS HE3 H 12.540 7.710 0.079 1.00 . A A . 8 LYS HE3 1 1 18 5066 1 1 8 LYS HG2 H 10.833 4.263 0.396 1.00 . A A . 8 LYS HG2 1 1 18 5067 1 1 8 LYS HG3 H 10.665 5.215 1.871 1.00 . A A . 8 LYS HG3 1 1 18 5068 1 1 8 LYS HZ1 H 11.202 5.825 -1.345 1.00 . A A . 8 LYS HZ1 1 1 18 5069 1 1 8 LYS HZ2 H 11.117 7.499 -1.617 1.00 . A A . 8 LYS HZ2 1 1 18 5070 1 1 8 LYS HZ3 H 9.928 6.727 -0.665 1.00 . A A . 8 LYS HZ3 1 1 18 5071 1 1 8 LYS N N 11.980 2.029 0.110 1.00 . A A . 8 LYS N 1 1 18 5072 1 1 8 LYS NZ N 10.949 6.741 -0.926 1.00 . A A . 8 LYS NZ 1 1 18 5073 1 1 8 LYS O O 14.759 1.619 2.173 1.00 . A A . 8 LYS O 1 1 18 5074 1 1 9 ALA C C 14.475 -1.241 2.402 1.00 . A A . 9 ALA C 1 1 18 5075 1 1 9 ALA CA C 13.396 -0.497 3.201 1.00 . A A . 9 ALA CA 1 1 18 5076 1 1 9 ALA CB C 12.287 -1.477 3.597 1.00 . A A . 9 ALA CB 1 1 18 5077 1 1 9 ALA H H 11.841 0.604 2.187 1.00 . A A . 9 ALA H 1 1 18 5078 1 1 9 ALA HA H 13.840 -0.084 4.096 1.00 . A A . 9 ALA HA 1 1 18 5079 1 1 9 ALA HB1 H 11.816 -1.139 4.507 1.00 . A A . 9 ALA HB1 1 1 18 5080 1 1 9 ALA HB2 H 12.712 -2.458 3.757 1.00 . A A . 9 ALA HB2 1 1 18 5081 1 1 9 ALA HB3 H 11.552 -1.527 2.809 1.00 . A A . 9 ALA HB3 1 1 18 5082 1 1 9 ALA N N 12.809 0.607 2.388 1.00 . A A . 9 ALA N 1 1 18 5083 1 1 9 ALA O O 15.557 -1.496 2.901 1.00 . A A . 9 ALA O 1 1 18 5084 1 1 10 CGU C C 16.401 -1.385 0.077 1.00 . A A . 10 CGU C 1 1 18 5085 1 1 10 CGU CA C 15.227 -2.329 0.384 1.00 . A A . 10 CGU CA 1 1 18 5086 1 1 10 CGU CB C 14.599 -2.867 -0.916 1.00 . A A . 10 CGU CB 1 1 18 5087 1 1 10 CGU CD1 C 15.223 -3.316 -3.337 1.00 . A A . 10 CGU CD1 1 1 18 5088 1 1 10 CGU CD2 C 16.356 -4.585 -1.512 1.00 . A A . 10 CGU CD2 1 1 18 5089 1 1 10 CGU CG C 15.726 -3.227 -1.888 1.00 . A A . 10 CGU CG 1 1 18 5090 1 1 10 CGU H H 13.334 -1.396 0.770 1.00 . A A . 10 CGU H 1 1 18 5091 1 1 10 CGU HA H 15.592 -3.160 0.971 1.00 . A A . 10 CGU HA 1 1 18 5092 1 1 10 CGU HB2 H 13.967 -2.113 -1.359 1.00 . A A . 10 CGU HB2 1 1 18 5093 1 1 10 CGU HB3 H 14.012 -3.748 -0.697 1.00 . A A . 10 CGU HB3 1 1 18 5094 1 1 10 CGU HG H 16.470 -2.458 -1.824 1.00 . A A . 10 CGU HG 1 1 18 5095 1 1 10 CGU N N 14.204 -1.600 1.171 1.00 . A A . 10 CGU N 1 1 18 5096 1 1 10 CGU O O 17.552 -1.755 0.209 1.00 . A A . 10 CGU O 1 1 18 5097 1 1 10 CGU OE11 O 16.067 -3.467 -4.217 1.00 . A A . 10 CGU OE11 1 1 18 5098 1 1 10 CGU OE12 O 14.025 -3.241 -3.550 1.00 . A A . 10 CGU OE12 1 1 18 5099 1 1 10 CGU OE21 O 16.955 -5.202 -2.389 1.00 . A A . 10 CGU OE21 1 1 18 5100 1 1 10 CGU OE22 O 16.248 -4.981 -0.365 1.00 . A A . 10 CGU OE22 1 1 18 5101 1 1 11 PHE C C 18.035 1.007 0.680 1.00 . A A . 11 PHE C 1 1 18 5102 1 1 11 PHE CA C 17.234 0.798 -0.604 1.00 . A A . 11 PHE CA 1 1 18 5103 1 1 11 PHE CB C 16.608 2.104 -1.133 1.00 . A A . 11 PHE CB 1 1 18 5104 1 1 11 PHE CD1 C 17.138 3.646 0.801 1.00 . A A . 11 PHE CD1 1 1 18 5105 1 1 11 PHE CD2 C 17.964 4.213 -1.403 1.00 . A A . 11 PHE CD2 1 1 18 5106 1 1 11 PHE CE1 C 17.708 4.815 1.318 1.00 . A A . 11 PHE CE1 1 1 18 5107 1 1 11 PHE CE2 C 18.539 5.380 -0.884 1.00 . A A . 11 PHE CE2 1 1 18 5108 1 1 11 PHE CG C 17.266 3.343 -0.559 1.00 . A A . 11 PHE CG 1 1 18 5109 1 1 11 PHE CZ C 18.408 5.682 0.475 1.00 . A A . 11 PHE CZ 1 1 18 5110 1 1 11 PHE H H 15.190 0.128 -0.393 1.00 . A A . 11 PHE H 1 1 18 5111 1 1 11 PHE HA H 17.888 0.389 -1.358 1.00 . A A . 11 PHE HA 1 1 18 5112 1 1 11 PHE HB2 H 16.707 2.127 -2.207 1.00 . A A . 11 PHE HB2 1 1 18 5113 1 1 11 PHE HB3 H 15.561 2.114 -0.884 1.00 . A A . 11 PHE HB3 1 1 18 5114 1 1 11 PHE HD1 H 16.605 2.975 1.451 1.00 . A A . 11 PHE HD1 1 1 18 5115 1 1 11 PHE HD2 H 18.078 3.972 -2.453 1.00 . A A . 11 PHE HD2 1 1 18 5116 1 1 11 PHE HE1 H 17.608 5.045 2.369 1.00 . A A . 11 PHE HE1 1 1 18 5117 1 1 11 PHE HE2 H 19.078 6.052 -1.536 1.00 . A A . 11 PHE HE2 1 1 18 5118 1 1 11 PHE HZ H 18.848 6.585 0.874 1.00 . A A . 11 PHE HZ 1 1 18 5119 1 1 11 PHE N N 16.127 -0.164 -0.312 1.00 . A A . 11 PHE N 1 1 18 5120 1 1 11 PHE O O 19.249 1.075 0.666 1.00 . A A . 11 PHE O 1 1 18 5121 1 1 12 ALA C C 19.107 0.141 3.274 1.00 . A A . 12 ALA C 1 1 18 5122 1 1 12 ALA CA C 18.075 1.256 3.090 1.00 . A A . 12 ALA CA 1 1 18 5123 1 1 12 ALA CB C 17.060 1.210 4.234 1.00 . A A . 12 ALA CB 1 1 18 5124 1 1 12 ALA H H 16.383 0.994 1.785 1.00 . A A . 12 ALA H 1 1 18 5125 1 1 12 ALA HA H 18.577 2.211 3.093 1.00 . A A . 12 ALA HA 1 1 18 5126 1 1 12 ALA HB1 H 16.484 2.123 4.242 1.00 . A A . 12 ALA HB1 1 1 18 5127 1 1 12 ALA HB2 H 17.580 1.105 5.175 1.00 . A A . 12 ALA HB2 1 1 18 5128 1 1 12 ALA HB3 H 16.397 0.369 4.094 1.00 . A A . 12 ALA HB3 1 1 18 5129 1 1 12 ALA N N 17.363 1.074 1.798 1.00 . A A . 12 ALA N 1 1 18 5130 1 1 12 ALA O O 20.142 0.345 3.868 1.00 . A A . 12 ALA O 1 1 18 5131 1 1 13 ARG C C 20.992 -1.966 1.959 1.00 . A A . 13 ARG C 1 1 18 5132 1 1 13 ARG CA C 19.824 -2.149 2.939 1.00 . A A . 13 ARG CA 1 1 18 5133 1 1 13 ARG CB C 19.133 -3.493 2.682 1.00 . A A . 13 ARG CB 1 1 18 5134 1 1 13 ARG CD C 19.418 -5.981 2.796 1.00 . A A . 13 ARG CD 1 1 18 5135 1 1 13 ARG CG C 20.117 -4.631 2.975 1.00 . A A . 13 ARG CG 1 1 18 5136 1 1 13 ARG CZ C 19.930 -8.276 3.382 1.00 . A A . 13 ARG CZ 1 1 18 5137 1 1 13 ARG H H 17.993 -1.193 2.291 1.00 . A A . 13 ARG H 1 1 18 5138 1 1 13 ARG HA H 20.207 -2.135 3.949 1.00 . A A . 13 ARG HA 1 1 18 5139 1 1 13 ARG HB2 H 18.270 -3.582 3.328 1.00 . A A . 13 ARG HB2 1 1 18 5140 1 1 13 ARG HB3 H 18.816 -3.547 1.651 1.00 . A A . 13 ARG HB3 1 1 18 5141 1 1 13 ARG HD2 H 18.544 -6.023 3.433 1.00 . A A . 13 ARG HD2 1 1 18 5142 1 1 13 ARG HD3 H 19.118 -6.096 1.764 1.00 . A A . 13 ARG HD3 1 1 18 5143 1 1 13 ARG HE H 21.325 -6.884 3.250 1.00 . A A . 13 ARG HE 1 1 18 5144 1 1 13 ARG HG2 H 20.954 -4.565 2.297 1.00 . A A . 13 ARG HG2 1 1 18 5145 1 1 13 ARG HG3 H 20.472 -4.545 3.992 1.00 . A A . 13 ARG HG3 1 1 18 5146 1 1 13 ARG HH11 H 19.787 -8.023 5.348 1.00 . A A . 13 ARG HH11 1 1 18 5147 1 1 13 ARG HH12 H 19.325 -9.581 4.757 1.00 . A A . 13 ARG HH12 1 1 18 5148 1 1 13 ARG HH21 H 19.983 -8.792 1.466 1.00 . A A . 13 ARG HH21 1 1 18 5149 1 1 13 ARG HH22 H 19.432 -10.017 2.556 1.00 . A A . 13 ARG HH22 1 1 18 5150 1 1 13 ARG N N 18.839 -1.039 2.772 1.00 . A A . 13 ARG N 1 1 18 5151 1 1 13 ARG NE N 20.367 -7.075 3.167 1.00 . A A . 13 ARG NE 1 1 18 5152 1 1 13 ARG NH1 N 19.659 -8.656 4.586 1.00 . A A . 13 ARG NH1 1 1 18 5153 1 1 13 ARG NH2 N 19.769 -9.092 2.394 1.00 . A A . 13 ARG NH2 1 1 18 5154 1 1 13 ARG O O 22.125 -1.777 2.364 1.00 . A A . 13 ARG O 1 1 18 5155 1 1 14 CGU C C 22.566 -0.542 -0.103 1.00 . A A . 14 CGU C 1 1 18 5156 1 1 14 CGU CA C 21.825 -1.862 -0.321 1.00 . A A . 14 CGU CA 1 1 18 5157 1 1 14 CGU CB C 21.220 -1.889 -1.731 1.00 . A A . 14 CGU CB 1 1 18 5158 1 1 14 CGU CD1 C 19.315 -3.481 -1.651 1.00 . A A . 14 CGU CD1 1 1 18 5159 1 1 14 CGU CD2 C 20.876 -3.586 -3.583 1.00 . A A . 14 CGU CD2 1 1 18 5160 1 1 14 CGU CG C 20.770 -3.317 -2.067 1.00 . A A . 14 CGU CG 1 1 18 5161 1 1 14 CGU H H 19.814 -2.180 0.372 1.00 . A A . 14 CGU H 1 1 18 5162 1 1 14 CGU HA H 22.527 -2.676 -0.214 1.00 . A A . 14 CGU HA 1 1 18 5163 1 1 14 CGU HB2 H 21.952 -1.560 -2.444 1.00 . A A . 14 CGU HB2 1 1 18 5164 1 1 14 CGU HB3 H 20.365 -1.226 -1.765 1.00 . A A . 14 CGU HB3 1 1 18 5165 1 1 14 CGU HG H 21.381 -4.024 -1.527 1.00 . A A . 14 CGU HG 1 1 18 5166 1 1 14 CGU N N 20.731 -2.023 0.679 1.00 . A A . 14 CGU N 1 1 18 5167 1 1 14 CGU O O 23.768 -0.467 -0.271 1.00 . A A . 14 CGU O 1 1 18 5168 1 1 14 CGU OE11 O 19.074 -4.103 -0.635 1.00 . A A . 14 CGU OE11 1 1 18 5169 1 1 14 CGU OE12 O 18.463 -2.982 -2.369 1.00 . A A . 14 CGU OE12 1 1 18 5170 1 1 14 CGU OE21 O 21.893 -3.239 -4.157 1.00 . A A . 14 CGU OE21 1 1 18 5171 1 1 14 CGU OE22 O 19.931 -4.146 -4.145 1.00 . A A . 14 CGU OE22 1 1 18 5172 1 1 15 LEU C C 23.090 1.883 1.910 1.00 . A A . 15 LEU C 1 1 18 5173 1 1 15 LEU CA C 22.565 1.798 0.471 1.00 . A A . 15 LEU CA 1 1 18 5174 1 1 15 LEU CB C 21.602 2.949 0.155 1.00 . A A . 15 LEU CB 1 1 18 5175 1 1 15 LEU CD1 C 20.328 2.130 -1.845 1.00 . A A . 15 LEU CD1 1 1 18 5176 1 1 15 LEU CD2 C 21.088 4.503 -1.736 1.00 . A A . 15 LEU CD2 1 1 18 5177 1 1 15 LEU CG C 21.440 3.064 -1.368 1.00 . A A . 15 LEU CG 1 1 18 5178 1 1 15 LEU H H 20.900 0.435 0.384 1.00 . A A . 15 LEU H 1 1 18 5179 1 1 15 LEU HA H 23.411 1.851 -0.196 1.00 . A A . 15 LEU HA 1 1 18 5180 1 1 15 LEU HB2 H 20.638 2.751 0.605 1.00 . A A . 15 LEU HB2 1 1 18 5181 1 1 15 LEU HB3 H 21.996 3.874 0.544 1.00 . A A . 15 LEU HB3 1 1 18 5182 1 1 15 LEU HD11 H 19.457 2.266 -1.227 1.00 . A A . 15 LEU HD11 1 1 18 5183 1 1 15 LEU HD12 H 20.663 1.107 -1.777 1.00 . A A . 15 LEU HD12 1 1 18 5184 1 1 15 LEU HD13 H 20.080 2.360 -2.871 1.00 . A A . 15 LEU HD13 1 1 18 5185 1 1 15 LEU HD21 H 20.833 5.049 -0.841 1.00 . A A . 15 LEU HD21 1 1 18 5186 1 1 15 LEU HD22 H 20.247 4.504 -2.413 1.00 . A A . 15 LEU HD22 1 1 18 5187 1 1 15 LEU HD23 H 21.934 4.969 -2.214 1.00 . A A . 15 LEU HD23 1 1 18 5188 1 1 15 LEU HG H 22.363 2.787 -1.855 1.00 . A A . 15 LEU HG 1 1 18 5189 1 1 15 LEU N N 21.873 0.502 0.259 1.00 . A A . 15 LEU N 1 1 18 5190 1 1 15 LEU O O 23.931 2.710 2.216 1.00 . A A . 15 LEU O 1 1 18 5191 1 1 16 ALA C C 24.668 0.782 4.141 1.00 . A A . 16 ALA C 1 1 18 5192 1 1 16 ALA CA C 23.164 1.054 4.190 1.00 . A A . 16 ALA CA 1 1 18 5193 1 1 16 ALA CB C 22.477 -0.017 5.043 1.00 . A A . 16 ALA CB 1 1 18 5194 1 1 16 ALA H H 21.984 0.339 2.526 1.00 . A A . 16 ALA H 1 1 18 5195 1 1 16 ALA HA H 22.989 2.031 4.618 1.00 . A A . 16 ALA HA 1 1 18 5196 1 1 16 ALA HB1 H 21.638 0.422 5.563 1.00 . A A . 16 ALA HB1 1 1 18 5197 1 1 16 ALA HB2 H 23.179 -0.410 5.763 1.00 . A A . 16 ALA HB2 1 1 18 5198 1 1 16 ALA HB3 H 22.128 -0.817 4.409 1.00 . A A . 16 ALA HB3 1 1 18 5199 1 1 16 ALA N N 22.640 1.019 2.790 1.00 . A A . 16 ALA N 1 1 18 5200 1 1 16 ALA O O 25.457 1.490 4.735 1.00 . A A . 16 ALA O 1 1 18 5201 1 1 17 ASN C C 27.194 0.582 2.480 1.00 . A A . 17 ASN C 1 1 18 5202 1 1 17 ASN CA C 26.534 -0.526 3.306 1.00 . A A . 17 ASN CA 1 1 18 5203 1 1 17 ASN CB C 26.740 -1.875 2.611 1.00 . A A . 17 ASN CB 1 1 18 5204 1 1 17 ASN CG C 25.769 -1.993 1.438 1.00 . A A . 17 ASN CG 1 1 18 5205 1 1 17 ASN H H 24.415 -0.783 2.923 1.00 . A A . 17 ASN H 1 1 18 5206 1 1 17 ASN HA H 26.973 -0.552 4.293 1.00 . A A . 17 ASN HA 1 1 18 5207 1 1 17 ASN HB2 H 27.755 -1.943 2.247 1.00 . A A . 17 ASN HB2 1 1 18 5208 1 1 17 ASN HB3 H 26.553 -2.675 3.310 1.00 . A A . 17 ASN HB3 1 1 18 5209 1 1 17 ASN HD21 H 27.044 -1.244 0.120 1.00 . A A . 17 ASN HD21 1 1 18 5210 1 1 17 ASN HD22 H 25.513 -1.675 -0.498 1.00 . A A . 17 ASN HD22 1 1 18 5211 1 1 17 ASN N N 25.073 -0.229 3.414 1.00 . A A . 17 ASN N 1 1 18 5212 1 1 17 ASN ND2 N 26.141 -1.607 0.256 1.00 . A A . 17 ASN ND2 1 1 18 5213 1 1 17 ASN O O 28.330 0.949 2.702 1.00 . A A . 17 ASN O 1 1 18 5214 1 1 17 ASN OD1 O 24.654 -2.434 1.605 1.00 . A A . 17 ASN OD1 1 1 18 5215 1 1 18 TYR C C 27.100 3.511 1.469 1.00 . A A . 18 TYR C 1 1 18 5216 1 1 18 TYR CA C 27.029 2.201 0.669 1.00 . A A . 18 TYR CA 1 1 18 5217 1 1 18 TYR CB C 26.116 2.389 -0.547 1.00 . A A . 18 TYR CB 1 1 18 5218 1 1 18 TYR CD1 C 27.895 3.059 -2.212 1.00 . A A . 18 TYR CD1 1 1 18 5219 1 1 18 TYR CD2 C 26.132 4.640 -1.689 1.00 . A A . 18 TYR CD2 1 1 18 5220 1 1 18 TYR CE1 C 28.459 3.984 -3.100 1.00 . A A . 18 TYR CE1 1 1 18 5221 1 1 18 TYR CE2 C 26.698 5.563 -2.577 1.00 . A A . 18 TYR CE2 1 1 18 5222 1 1 18 TYR CG C 26.730 3.387 -1.506 1.00 . A A . 18 TYR CG 1 1 18 5223 1 1 18 TYR CZ C 27.859 5.234 -3.281 1.00 . A A . 18 TYR CZ 1 1 18 5224 1 1 18 TYR H H 25.562 0.788 1.373 1.00 . A A . 18 TYR H 1 1 18 5225 1 1 18 TYR HA H 28.022 1.930 0.338 1.00 . A A . 18 TYR HA 1 1 18 5226 1 1 18 TYR HB2 H 25.986 1.440 -1.049 1.00 . A A . 18 TYR HB2 1 1 18 5227 1 1 18 TYR HB3 H 25.155 2.754 -0.218 1.00 . A A . 18 TYR HB3 1 1 18 5228 1 1 18 TYR HD1 H 28.357 2.094 -2.075 1.00 . A A . 18 TYR HD1 1 1 18 5229 1 1 18 TYR HD2 H 25.234 4.896 -1.145 1.00 . A A . 18 TYR HD2 1 1 18 5230 1 1 18 TYR HE1 H 29.356 3.734 -3.646 1.00 . A A . 18 TYR HE1 1 1 18 5231 1 1 18 TYR HE2 H 26.237 6.529 -2.719 1.00 . A A . 18 TYR HE2 1 1 18 5232 1 1 18 TYR HH H 29.001 6.713 -3.648 1.00 . A A . 18 TYR HH 1 1 18 5233 1 1 18 TYR N N 26.475 1.111 1.527 1.00 . A A . 18 TYR N 1 1 18 5234 1 1 18 TYR O O 28.117 4.172 1.491 1.00 . A A . 18 TYR O 1 1 18 5235 1 1 18 TYR OH O 28.416 6.144 -4.152 1.00 . A A . 18 TYR OH 1 1 18 5236 1 1 19 NH2 HN1 H 25.216 3.391 2.123 1.00 . A A . 19 NH2 HN1 1 1 18 5237 1 1 19 NH2 HN2 H 26.104 4.764 2.643 1.00 . A A . 19 NH2 HN2 1 1 18 5238 1 1 19 NH2 N N 26.054 3.923 2.132 1.00 . A A . 19 NH2 N 1 1 19 5239 1 1 1 GLY C C 3.518 2.167 1.262 1.00 . A A . 1 GLY C 1 1 19 5240 1 1 1 GLY CA C 2.836 3.528 1.167 1.00 . A A . 1 GLY CA 1 1 19 5241 1 1 1 GLY H1 H 1.459 4.442 -0.116 1.00 . A A . 1 GLY H1 1 1 19 5242 1 1 1 GLY H2 H 1.327 2.739 -0.065 1.00 . A A . 1 GLY H2 1 1 19 5243 1 1 1 GLY H3 H 2.613 3.483 -0.915 1.00 . A A . 1 GLY H3 1 1 19 5244 1 1 1 GLY HA2 H 3.583 4.306 1.119 1.00 . A A . 1 GLY HA2 1 1 19 5245 1 1 1 GLY HA3 H 2.211 3.681 2.034 1.00 . A A . 1 GLY HA3 1 1 19 5246 1 1 1 GLY N N 1.995 3.553 -0.074 1.00 . A A . 1 GLY N 1 1 19 5247 1 1 1 GLY O O 4.726 2.057 1.346 1.00 . A A . 1 GLY O 1 1 19 5248 1 1 2 GLU C C 4.452 -0.433 0.327 1.00 . A A . 2 GLU C 1 1 19 5249 1 1 2 GLU CA C 3.242 -0.257 1.263 1.00 . A A . 2 GLU CA 1 1 19 5250 1 1 2 GLU CB C 2.101 -1.189 0.825 1.00 . A A . 2 GLU CB 1 1 19 5251 1 1 2 GLU CD C 1.539 0.690 -0.816 1.00 . A A . 2 GLU CD 1 1 19 5252 1 1 2 GLU CG C 1.602 -0.833 -0.600 1.00 . A A . 2 GLU CG 1 1 19 5253 1 1 2 GLU H H 1.759 1.283 1.124 1.00 . A A . 2 GLU H 1 1 19 5254 1 1 2 GLU HA H 3.532 -0.502 2.274 1.00 . A A . 2 GLU HA 1 1 19 5255 1 1 2 GLU HB2 H 2.454 -2.210 0.832 1.00 . A A . 2 GLU HB2 1 1 19 5256 1 1 2 GLU HB3 H 1.279 -1.095 1.521 1.00 . A A . 2 GLU HB3 1 1 19 5257 1 1 2 GLU HG2 H 2.271 -1.264 -1.328 1.00 . A A . 2 GLU HG2 1 1 19 5258 1 1 2 GLU HG3 H 0.615 -1.249 -0.742 1.00 . A A . 2 GLU HG3 1 1 19 5259 1 1 2 GLU N N 2.730 1.138 1.216 1.00 . A A . 2 GLU N 1 1 19 5260 1 1 2 GLU O O 5.483 -0.943 0.723 1.00 . A A . 2 GLU O 1 1 19 5261 1 1 2 GLU OE1 O 2.335 1.190 -1.591 1.00 . A A . 2 GLU OE1 1 1 19 5262 1 1 2 GLU OE2 O 0.724 1.341 -0.178 1.00 . A A . 2 GLU OE2 1 1 19 5263 1 1 3 CGU C C 6.591 0.795 -1.475 1.00 . A A . 3 CGU C 1 1 19 5264 1 1 3 CGU CA C 5.465 -0.165 -1.868 1.00 . A A . 3 CGU CA 1 1 19 5265 1 1 3 CGU CB C 4.976 0.173 -3.295 1.00 . A A . 3 CGU CB 1 1 19 5266 1 1 3 CGU CD1 C 6.701 -1.372 -4.311 1.00 . A A . 3 CGU CD1 1 1 19 5267 1 1 3 CGU CD2 C 5.727 0.430 -5.702 1.00 . A A . 3 CGU CD2 1 1 19 5268 1 1 3 CGU CG C 6.153 0.060 -4.276 1.00 . A A . 3 CGU CG 1 1 19 5269 1 1 3 CGU H H 3.486 0.392 -1.211 1.00 . A A . 3 CGU H 1 1 19 5270 1 1 3 CGU HA H 5.843 -1.182 -1.831 1.00 . A A . 3 CGU HA 1 1 19 5271 1 1 3 CGU HB2 H 4.601 1.188 -3.308 1.00 . A A . 3 CGU HB2 1 1 19 5272 1 1 3 CGU HB3 H 4.178 -0.504 -3.597 1.00 . A A . 3 CGU HB3 1 1 19 5273 1 1 3 CGU HG H 6.936 0.730 -3.959 1.00 . A A . 3 CGU HG 1 1 19 5274 1 1 3 CGU N N 4.332 -0.019 -0.909 1.00 . A A . 3 CGU N 1 1 19 5275 1 1 3 CGU O O 7.758 0.448 -1.524 1.00 . A A . 3 CGU O 1 1 19 5276 1 1 3 CGU OE11 O 7.839 -1.527 -4.732 1.00 . A A . 3 CGU OE11 1 1 19 5277 1 1 3 CGU OE12 O 5.979 -2.285 -3.948 1.00 . A A . 3 CGU OE12 1 1 19 5278 1 1 3 CGU OE21 O 4.631 0.935 -5.875 1.00 . A A . 3 CGU OE21 1 1 19 5279 1 1 3 CGU OE22 O 6.523 0.195 -6.606 1.00 . A A . 3 CGU OE22 1 1 19 5280 1 1 4 CGU C C 8.184 2.359 0.391 1.00 . A A . 4 CGU C 1 1 19 5281 1 1 4 CGU CA C 7.299 2.974 -0.690 1.00 . A A . 4 CGU CA 1 1 19 5282 1 1 4 CGU CB C 6.632 4.230 -0.137 1.00 . A A . 4 CGU CB 1 1 19 5283 1 1 4 CGU CD1 C 6.335 6.513 -1.152 1.00 . A A . 4 CGU CD1 1 1 19 5284 1 1 4 CGU CD2 C 4.460 4.847 -1.217 1.00 . A A . 4 CGU CD2 1 1 19 5285 1 1 4 CGU CG C 5.983 5.020 -1.282 1.00 . A A . 4 CGU CG 1 1 19 5286 1 1 4 CGU H H 5.310 2.255 -1.054 1.00 . A A . 4 CGU H 1 1 19 5287 1 1 4 CGU HA H 7.896 3.234 -1.552 1.00 . A A . 4 CGU HA 1 1 19 5288 1 1 4 CGU HB2 H 7.373 4.838 0.348 1.00 . A A . 4 CGU HB2 1 1 19 5289 1 1 4 CGU HB3 H 5.873 3.945 0.581 1.00 . A A . 4 CGU HB3 1 1 19 5290 1 1 4 CGU HG H 6.346 4.647 -2.229 1.00 . A A . 4 CGU HG 1 1 19 5291 1 1 4 CGU N N 6.253 1.997 -1.088 1.00 . A A . 4 CGU N 1 1 19 5292 1 1 4 CGU O O 9.398 2.383 0.305 1.00 . A A . 4 CGU O 1 1 19 5293 1 1 4 CGU OE11 O 6.540 6.965 -0.033 1.00 . A A . 4 CGU OE11 1 1 19 5294 1 1 4 CGU OE12 O 6.402 7.173 -2.173 1.00 . A A . 4 CGU OE12 1 1 19 5295 1 1 4 CGU OE21 O 3.792 5.751 -0.744 1.00 . A A . 4 CGU OE21 1 1 19 5296 1 1 4 CGU OE22 O 3.985 3.798 -1.626 1.00 . A A . 4 CGU OE22 1 1 19 5297 1 1 5 LEU C C 9.289 0.099 1.931 1.00 . A A . 5 LEU C 1 1 19 5298 1 1 5 LEU CA C 8.372 1.183 2.506 1.00 . A A . 5 LEU CA 1 1 19 5299 1 1 5 LEU CB C 7.417 0.561 3.530 1.00 . A A . 5 LEU CB 1 1 19 5300 1 1 5 LEU CD1 C 5.803 2.409 4.061 1.00 . A A . 5 LEU CD1 1 1 19 5301 1 1 5 LEU CD2 C 6.649 0.929 5.879 1.00 . A A . 5 LEU CD2 1 1 19 5302 1 1 5 LEU CG C 7.012 1.618 4.564 1.00 . A A . 5 LEU CG 1 1 19 5303 1 1 5 LEU H H 6.599 1.799 1.454 1.00 . A A . 5 LEU H 1 1 19 5304 1 1 5 LEU HA H 8.974 1.938 2.988 1.00 . A A . 5 LEU HA 1 1 19 5305 1 1 5 LEU HB2 H 6.535 0.192 3.021 1.00 . A A . 5 LEU HB2 1 1 19 5306 1 1 5 LEU HB3 H 7.912 -0.257 4.030 1.00 . A A . 5 LEU HB3 1 1 19 5307 1 1 5 LEU HD11 H 5.426 3.033 4.857 1.00 . A A . 5 LEU HD11 1 1 19 5308 1 1 5 LEU HD12 H 5.031 1.724 3.744 1.00 . A A . 5 LEU HD12 1 1 19 5309 1 1 5 LEU HD13 H 6.098 3.029 3.228 1.00 . A A . 5 LEU HD13 1 1 19 5310 1 1 5 LEU HD21 H 6.300 1.667 6.586 1.00 . A A . 5 LEU HD21 1 1 19 5311 1 1 5 LEU HD22 H 7.521 0.433 6.279 1.00 . A A . 5 LEU HD22 1 1 19 5312 1 1 5 LEU HD23 H 5.870 0.203 5.702 1.00 . A A . 5 LEU HD23 1 1 19 5313 1 1 5 LEU HG H 7.838 2.295 4.727 1.00 . A A . 5 LEU HG 1 1 19 5314 1 1 5 LEU N N 7.580 1.805 1.411 1.00 . A A . 5 LEU N 1 1 19 5315 1 1 5 LEU O O 10.485 0.120 2.141 1.00 . A A . 5 LEU O 1 1 19 5316 1 1 6 ALA C C 10.777 -1.305 -0.125 1.00 . A A . 6 ALA C 1 1 19 5317 1 1 6 ALA CA C 9.586 -1.926 0.617 1.00 . A A . 6 ALA CA 1 1 19 5318 1 1 6 ALA CB C 8.745 -2.750 -0.363 1.00 . A A . 6 ALA CB 1 1 19 5319 1 1 6 ALA H H 7.772 -0.835 1.049 1.00 . A A . 6 ALA H 1 1 19 5320 1 1 6 ALA HA H 9.946 -2.568 1.408 1.00 . A A . 6 ALA HA 1 1 19 5321 1 1 6 ALA HB1 H 9.367 -3.503 -0.828 1.00 . A A . 6 ALA HB1 1 1 19 5322 1 1 6 ALA HB2 H 8.338 -2.100 -1.124 1.00 . A A . 6 ALA HB2 1 1 19 5323 1 1 6 ALA HB3 H 7.938 -3.231 0.169 1.00 . A A . 6 ALA HB3 1 1 19 5324 1 1 6 ALA N N 8.740 -0.842 1.207 1.00 . A A . 6 ALA N 1 1 19 5325 1 1 6 ALA O O 11.922 -1.661 0.099 1.00 . A A . 6 ALA O 1 1 19 5326 1 1 7 CGU C C 12.552 0.992 -0.783 1.00 . A A . 7 CGU C 1 1 19 5327 1 1 7 CGU CA C 11.606 0.287 -1.763 1.00 . A A . 7 CGU CA 1 1 19 5328 1 1 7 CGU CB C 10.999 1.315 -2.717 1.00 . A A . 7 CGU CB 1 1 19 5329 1 1 7 CGU CD1 C 9.121 1.626 -4.377 1.00 . A A . 7 CGU CD1 1 1 19 5330 1 1 7 CGU CD2 C 10.896 -0.069 -4.839 1.00 . A A . 7 CGU CD2 1 1 19 5331 1 1 7 CGU CG C 10.069 0.604 -3.727 1.00 . A A . 7 CGU CG 1 1 19 5332 1 1 7 CGU H H 9.580 -0.098 -1.157 1.00 . A A . 7 CGU H 1 1 19 5333 1 1 7 CGU HA H 12.148 -0.455 -2.330 1.00 . A A . 7 CGU HA 1 1 19 5334 1 1 7 CGU HB2 H 11.791 1.811 -3.252 1.00 . A A . 7 CGU HB2 1 1 19 5335 1 1 7 CGU HB3 H 10.439 2.052 -2.146 1.00 . A A . 7 CGU HB3 1 1 19 5336 1 1 7 CGU HG H 9.484 -0.155 -3.217 1.00 . A A . 7 CGU HG 1 1 19 5337 1 1 7 CGU N N 10.510 -0.371 -1.003 1.00 . A A . 7 CGU N 1 1 19 5338 1 1 7 CGU O O 13.744 0.747 -0.767 1.00 . A A . 7 CGU O 1 1 19 5339 1 1 7 CGU OE11 O 8.805 2.613 -3.735 1.00 . A A . 7 CGU OE11 1 1 19 5340 1 1 7 CGU OE12 O 8.711 1.393 -5.505 1.00 . A A . 7 CGU OE12 1 1 19 5341 1 1 7 CGU OE21 O 10.291 -0.725 -5.681 1.00 . A A . 7 CGU OE21 1 1 19 5342 1 1 7 CGU OE22 O 12.106 0.080 -4.843 1.00 . A A . 7 CGU OE22 1 1 19 5343 1 1 8 LYS C C 13.588 1.568 1.920 1.00 . A A . 8 LYS C 1 1 19 5344 1 1 8 LYS CA C 12.859 2.585 1.036 1.00 . A A . 8 LYS CA 1 1 19 5345 1 1 8 LYS CB C 11.952 3.462 1.902 1.00 . A A . 8 LYS CB 1 1 19 5346 1 1 8 LYS CD C 10.157 5.204 1.697 1.00 . A A . 8 LYS CD 1 1 19 5347 1 1 8 LYS CE C 9.616 6.347 0.833 1.00 . A A . 8 LYS CE 1 1 19 5348 1 1 8 LYS CG C 11.440 4.645 1.069 1.00 . A A . 8 LYS CG 1 1 19 5349 1 1 8 LYS H H 11.051 2.024 0.013 1.00 . A A . 8 LYS H 1 1 19 5350 1 1 8 LYS HA H 13.578 3.207 0.526 1.00 . A A . 8 LYS HA 1 1 19 5351 1 1 8 LYS HB2 H 11.117 2.874 2.252 1.00 . A A . 8 LYS HB2 1 1 19 5352 1 1 8 LYS HB3 H 12.513 3.833 2.746 1.00 . A A . 8 LYS HB3 1 1 19 5353 1 1 8 LYS HD2 H 9.417 4.419 1.760 1.00 . A A . 8 LYS HD2 1 1 19 5354 1 1 8 LYS HD3 H 10.373 5.575 2.688 1.00 . A A . 8 LYS HD3 1 1 19 5355 1 1 8 LYS HE2 H 10.384 7.100 0.712 1.00 . A A . 8 LYS HE2 1 1 19 5356 1 1 8 LYS HE3 H 9.334 5.962 -0.137 1.00 . A A . 8 LYS HE3 1 1 19 5357 1 1 8 LYS HG2 H 12.195 5.418 1.044 1.00 . A A . 8 LYS HG2 1 1 19 5358 1 1 8 LYS HG3 H 11.231 4.312 0.062 1.00 . A A . 8 LYS HG3 1 1 19 5359 1 1 8 LYS HZ1 H 8.179 6.399 2.344 1.00 . A A . 8 LYS HZ1 1 1 19 5360 1 1 8 LYS HZ2 H 7.607 6.949 0.830 1.00 . A A . 8 LYS HZ2 1 1 19 5361 1 1 8 LYS HZ3 H 8.638 7.929 1.774 1.00 . A A . 8 LYS HZ3 1 1 19 5362 1 1 8 LYS N N 12.018 1.858 0.041 1.00 . A A . 8 LYS N 1 1 19 5363 1 1 8 LYS NZ N 8.424 6.951 1.498 1.00 . A A . 8 LYS NZ 1 1 19 5364 1 1 8 LYS O O 14.775 1.682 2.179 1.00 . A A . 8 LYS O 1 1 19 5365 1 1 9 ALA C C 14.592 -1.224 2.478 1.00 . A A . 9 ALA C 1 1 19 5366 1 1 9 ALA CA C 13.500 -0.471 3.247 1.00 . A A . 9 ALA CA 1 1 19 5367 1 1 9 ALA CB C 12.418 -1.457 3.697 1.00 . A A . 9 ALA CB 1 1 19 5368 1 1 9 ALA H H 11.922 0.505 2.146 1.00 . A A . 9 ALA H 1 1 19 5369 1 1 9 ALA HA H 13.936 0.001 4.115 1.00 . A A . 9 ALA HA 1 1 19 5370 1 1 9 ALA HB1 H 12.883 -2.315 4.163 1.00 . A A . 9 ALA HB1 1 1 19 5371 1 1 9 ALA HB2 H 11.846 -1.780 2.840 1.00 . A A . 9 ALA HB2 1 1 19 5372 1 1 9 ALA HB3 H 11.762 -0.975 4.407 1.00 . A A . 9 ALA HB3 1 1 19 5373 1 1 9 ALA N N 12.879 0.570 2.378 1.00 . A A . 9 ALA N 1 1 19 5374 1 1 9 ALA O O 15.672 -1.449 2.989 1.00 . A A . 9 ALA O 1 1 19 5375 1 1 10 CGU C C 16.512 -1.398 0.137 1.00 . A A . 10 CGU C 1 1 19 5376 1 1 10 CGU CA C 15.363 -2.356 0.493 1.00 . A A . 10 CGU CA 1 1 19 5377 1 1 10 CGU CB C 14.737 -2.952 -0.780 1.00 . A A . 10 CGU CB 1 1 19 5378 1 1 10 CGU CD1 C 15.332 -3.345 -3.214 1.00 . A A . 10 CGU CD1 1 1 19 5379 1 1 10 CGU CD2 C 16.542 -4.596 -1.439 1.00 . A A . 10 CGU CD2 1 1 19 5380 1 1 10 CGU CG C 15.857 -3.259 -1.776 1.00 . A A . 10 CGU CG 1 1 19 5381 1 1 10 CGU H H 13.460 -1.435 0.850 1.00 . A A . 10 CGU H 1 1 19 5382 1 1 10 CGU HA H 15.751 -3.158 1.107 1.00 . A A . 10 CGU HA 1 1 19 5383 1 1 10 CGU HB2 H 14.049 -2.244 -1.216 1.00 . A A . 10 CGU HB2 1 1 19 5384 1 1 10 CGU HB3 H 14.209 -3.862 -0.532 1.00 . A A . 10 CGU HB3 1 1 19 5385 1 1 10 CGU HG H 16.576 -2.466 -1.717 1.00 . A A . 10 CGU HG 1 1 19 5386 1 1 10 CGU N N 14.329 -1.620 1.258 1.00 . A A . 10 CGU N 1 1 19 5387 1 1 10 CGU O O 17.672 -1.737 0.272 1.00 . A A . 10 CGU O 1 1 19 5388 1 1 10 CGU OE11 O 16.167 -3.348 -4.114 1.00 . A A . 10 CGU OE11 1 1 19 5389 1 1 10 CGU OE12 O 14.130 -3.419 -3.398 1.00 . A A . 10 CGU OE12 1 1 19 5390 1 1 10 CGU OE21 O 16.384 -5.075 -0.326 1.00 . A A . 10 CGU OE21 1 1 19 5391 1 1 10 CGU OE22 O 17.233 -5.115 -2.311 1.00 . A A . 10 CGU OE22 1 1 19 5392 1 1 11 PHE C C 18.113 1.014 0.611 1.00 . A A . 11 PHE C 1 1 19 5393 1 1 11 PHE CA C 17.277 0.777 -0.639 1.00 . A A . 11 PHE CA 1 1 19 5394 1 1 11 PHE CB C 16.600 2.060 -1.155 1.00 . A A . 11 PHE CB 1 1 19 5395 1 1 11 PHE CD1 C 17.390 3.761 0.564 1.00 . A A . 11 PHE CD1 1 1 19 5396 1 1 11 PHE CD2 C 17.917 4.122 -1.777 1.00 . A A . 11 PHE CD2 1 1 19 5397 1 1 11 PHE CE1 C 18.014 4.971 0.890 1.00 . A A . 11 PHE CE1 1 1 19 5398 1 1 11 PHE CE2 C 18.549 5.328 -1.447 1.00 . A A . 11 PHE CE2 1 1 19 5399 1 1 11 PHE CG C 17.338 3.333 -0.772 1.00 . A A . 11 PHE CG 1 1 19 5400 1 1 11 PHE CZ C 18.592 5.755 -0.114 1.00 . A A . 11 PHE CZ 1 1 19 5401 1 1 11 PHE H H 15.259 0.063 -0.378 1.00 . A A . 11 PHE H 1 1 19 5402 1 1 11 PHE HA H 17.914 0.373 -1.414 1.00 . A A . 11 PHE HA 1 1 19 5403 1 1 11 PHE HB2 H 16.538 2.011 -2.231 1.00 . A A . 11 PHE HB2 1 1 19 5404 1 1 11 PHE HB3 H 15.604 2.103 -0.759 1.00 . A A . 11 PHE HB3 1 1 19 5405 1 1 11 PHE HD1 H 16.959 3.157 1.343 1.00 . A A . 11 PHE HD1 1 1 19 5406 1 1 11 PHE HD2 H 17.901 3.788 -2.803 1.00 . A A . 11 PHE HD2 1 1 19 5407 1 1 11 PHE HE1 H 18.053 5.298 1.918 1.00 . A A . 11 PHE HE1 1 1 19 5408 1 1 11 PHE HE2 H 18.994 5.935 -2.222 1.00 . A A . 11 PHE HE2 1 1 19 5409 1 1 11 PHE HZ H 19.073 6.689 0.139 1.00 . A A . 11 PHE HZ 1 1 19 5410 1 1 11 PHE N N 16.202 -0.202 -0.296 1.00 . A A . 11 PHE N 1 1 19 5411 1 1 11 PHE O O 19.324 1.004 0.567 1.00 . A A . 11 PHE O 1 1 19 5412 1 1 12 ALA C C 19.233 0.247 3.185 1.00 . A A . 12 ALA C 1 1 19 5413 1 1 12 ALA CA C 18.238 1.399 2.995 1.00 . A A . 12 ALA CA 1 1 19 5414 1 1 12 ALA CB C 17.268 1.454 4.182 1.00 . A A . 12 ALA CB 1 1 19 5415 1 1 12 ALA H H 16.492 1.164 1.754 1.00 . A A . 12 ALA H 1 1 19 5416 1 1 12 ALA HA H 18.780 2.331 2.928 1.00 . A A . 12 ALA HA 1 1 19 5417 1 1 12 ALA HB1 H 17.252 2.455 4.586 1.00 . A A . 12 ALA HB1 1 1 19 5418 1 1 12 ALA HB2 H 17.590 0.762 4.947 1.00 . A A . 12 ALA HB2 1 1 19 5419 1 1 12 ALA HB3 H 16.276 1.185 3.849 1.00 . A A . 12 ALA HB3 1 1 19 5420 1 1 12 ALA N N 17.475 1.188 1.736 1.00 . A A . 12 ALA N 1 1 19 5421 1 1 12 ALA O O 20.339 0.446 3.642 1.00 . A A . 12 ALA O 1 1 19 5422 1 1 13 ARG C C 21.001 -1.912 2.056 1.00 . A A . 13 ARG C 1 1 19 5423 1 1 13 ARG CA C 19.796 -2.106 2.985 1.00 . A A . 13 ARG CA 1 1 19 5424 1 1 13 ARG CB C 19.072 -3.411 2.635 1.00 . A A . 13 ARG CB 1 1 19 5425 1 1 13 ARG CD C 19.534 -5.844 2.244 1.00 . A A . 13 ARG CD 1 1 19 5426 1 1 13 ARG CG C 19.949 -4.603 3.037 1.00 . A A . 13 ARG CG 1 1 19 5427 1 1 13 ARG CZ C 17.555 -7.211 2.007 1.00 . A A . 13 ARG CZ 1 1 19 5428 1 1 13 ARG H H 17.961 -1.099 2.443 1.00 . A A . 13 ARG H 1 1 19 5429 1 1 13 ARG HA H 20.139 -2.148 4.009 1.00 . A A . 13 ARG HA 1 1 19 5430 1 1 13 ARG HB2 H 18.133 -3.454 3.171 1.00 . A A . 13 ARG HB2 1 1 19 5431 1 1 13 ARG HB3 H 18.882 -3.444 1.575 1.00 . A A . 13 ARG HB3 1 1 19 5432 1 1 13 ARG HD2 H 19.669 -5.659 1.187 1.00 . A A . 13 ARG HD2 1 1 19 5433 1 1 13 ARG HD3 H 20.150 -6.682 2.542 1.00 . A A . 13 ARG HD3 1 1 19 5434 1 1 13 ARG HE H 17.569 -5.555 3.082 1.00 . A A . 13 ARG HE 1 1 19 5435 1 1 13 ARG HG2 H 20.984 -4.375 2.830 1.00 . A A . 13 ARG HG2 1 1 19 5436 1 1 13 ARG HG3 H 19.828 -4.797 4.094 1.00 . A A . 13 ARG HG3 1 1 19 5437 1 1 13 ARG HH11 H 16.774 -6.226 0.460 1.00 . A A . 13 ARG HH11 1 1 19 5438 1 1 13 ARG HH12 H 16.455 -7.932 0.521 1.00 . A A . 13 ARG HH12 1 1 19 5439 1 1 13 ARG HH21 H 18.220 -8.412 3.440 1.00 . A A . 13 ARG HH21 1 1 19 5440 1 1 13 ARG HH22 H 17.279 -9.171 2.203 1.00 . A A . 13 ARG HH22 1 1 19 5441 1 1 13 ARG N N 18.856 -0.955 2.825 1.00 . A A . 13 ARG N 1 1 19 5442 1 1 13 ARG NE N 18.102 -6.154 2.518 1.00 . A A . 13 ARG NE 1 1 19 5443 1 1 13 ARG NH1 N 16.877 -7.122 0.915 1.00 . A A . 13 ARG NH1 1 1 19 5444 1 1 13 ARG NH2 N 17.693 -8.352 2.595 1.00 . A A . 13 ARG NH2 1 1 19 5445 1 1 13 ARG O O 22.129 -1.774 2.502 1.00 . A A . 13 ARG O 1 1 19 5446 1 1 14 CGU C C 22.559 -0.348 0.101 1.00 . A A . 14 CGU C 1 1 19 5447 1 1 14 CGU CA C 21.896 -1.694 -0.184 1.00 . A A . 14 CGU CA 1 1 19 5448 1 1 14 CGU CB C 21.351 -1.726 -1.616 1.00 . A A . 14 CGU CB 1 1 19 5449 1 1 14 CGU CD1 C 19.475 -3.355 -1.547 1.00 . A A . 14 CGU CD1 1 1 19 5450 1 1 14 CGU CD2 C 21.055 -3.424 -3.468 1.00 . A A . 14 CGU CD2 1 1 19 5451 1 1 14 CGU CG C 20.930 -3.159 -1.955 1.00 . A A . 14 CGU CG 1 1 19 5452 1 1 14 CGU H H 19.864 -2.001 0.425 1.00 . A A . 14 CGU H 1 1 19 5453 1 1 14 CGU HA H 22.622 -2.486 -0.056 1.00 . A A . 14 CGU HA 1 1 19 5454 1 1 14 CGU HB2 H 22.108 -1.399 -2.301 1.00 . A A . 14 CGU HB2 1 1 19 5455 1 1 14 CGU HB3 H 20.492 -1.073 -1.691 1.00 . A A . 14 CGU HB3 1 1 19 5456 1 1 14 CGU HG H 21.550 -3.853 -1.411 1.00 . A A . 14 CGU HG 1 1 19 5457 1 1 14 CGU N N 20.774 -1.892 0.767 1.00 . A A . 14 CGU N 1 1 19 5458 1 1 14 CGU O O 23.762 -0.213 0.027 1.00 . A A . 14 CGU O 1 1 19 5459 1 1 14 CGU OE11 O 18.625 -2.752 -2.180 1.00 . A A . 14 CGU OE11 1 1 19 5460 1 1 14 CGU OE12 O 19.233 -4.111 -0.627 1.00 . A A . 14 CGU OE12 1 1 19 5461 1 1 14 CGU OE21 O 20.056 -3.804 -4.079 1.00 . A A . 14 CGU OE21 1 1 19 5462 1 1 14 CGU OE22 O 22.140 -3.253 -3.990 1.00 . A A . 14 CGU OE22 1 1 19 5463 1 1 15 LEU C C 23.144 1.907 2.059 1.00 . A A . 15 LEU C 1 1 19 5464 1 1 15 LEU CA C 22.359 1.980 0.748 1.00 . A A . 15 LEU CA 1 1 19 5465 1 1 15 LEU CB C 21.223 2.995 0.858 1.00 . A A . 15 LEU CB 1 1 19 5466 1 1 15 LEU CD1 C 21.269 4.624 -1.037 1.00 . A A . 15 LEU CD1 1 1 19 5467 1 1 15 LEU CD2 C 20.933 2.219 -1.558 1.00 . A A . 15 LEU CD2 1 1 19 5468 1 1 15 LEU CG C 20.658 3.329 -0.530 1.00 . A A . 15 LEU CG 1 1 19 5469 1 1 15 LEU H H 20.810 0.508 0.512 1.00 . A A . 15 LEU H 1 1 19 5470 1 1 15 LEU HA H 23.025 2.278 -0.045 1.00 . A A . 15 LEU HA 1 1 19 5471 1 1 15 LEU HB2 H 20.433 2.586 1.470 1.00 . A A . 15 LEU HB2 1 1 19 5472 1 1 15 LEU HB3 H 21.591 3.901 1.313 1.00 . A A . 15 LEU HB3 1 1 19 5473 1 1 15 LEU HD11 H 22.341 4.531 -1.065 1.00 . A A . 15 LEU HD11 1 1 19 5474 1 1 15 LEU HD12 H 20.991 5.432 -0.376 1.00 . A A . 15 LEU HD12 1 1 19 5475 1 1 15 LEU HD13 H 20.897 4.828 -2.031 1.00 . A A . 15 LEU HD13 1 1 19 5476 1 1 15 LEU HD21 H 20.476 1.299 -1.231 1.00 . A A . 15 LEU HD21 1 1 19 5477 1 1 15 LEU HD22 H 21.995 2.076 -1.667 1.00 . A A . 15 LEU HD22 1 1 19 5478 1 1 15 LEU HD23 H 20.512 2.505 -2.511 1.00 . A A . 15 LEU HD23 1 1 19 5479 1 1 15 LEU HG H 19.604 3.458 -0.434 1.00 . A A . 15 LEU HG 1 1 19 5480 1 1 15 LEU N N 21.783 0.643 0.444 1.00 . A A . 15 LEU N 1 1 19 5481 1 1 15 LEU O O 24.268 2.366 2.139 1.00 . A A . 15 LEU O 1 1 19 5482 1 1 16 ALA C C 24.667 0.536 4.108 1.00 . A A . 16 ALA C 1 1 19 5483 1 1 16 ALA CA C 23.316 1.199 4.377 1.00 . A A . 16 ALA CA 1 1 19 5484 1 1 16 ALA CB C 22.509 0.348 5.363 1.00 . A A . 16 ALA CB 1 1 19 5485 1 1 16 ALA H H 21.672 0.932 3.000 1.00 . A A . 16 ALA H 1 1 19 5486 1 1 16 ALA HA H 23.476 2.184 4.793 1.00 . A A . 16 ALA HA 1 1 19 5487 1 1 16 ALA HB1 H 21.620 0.884 5.656 1.00 . A A . 16 ALA HB1 1 1 19 5488 1 1 16 ALA HB2 H 23.110 0.143 6.237 1.00 . A A . 16 ALA HB2 1 1 19 5489 1 1 16 ALA HB3 H 22.230 -0.582 4.891 1.00 . A A . 16 ALA HB3 1 1 19 5490 1 1 16 ALA N N 22.578 1.314 3.084 1.00 . A A . 16 ALA N 1 1 19 5491 1 1 16 ALA O O 25.693 0.972 4.592 1.00 . A A . 16 ALA O 1 1 19 5492 1 1 17 ASN C C 26.702 -0.385 1.927 1.00 . A A . 17 ASN C 1 1 19 5493 1 1 17 ASN CA C 25.961 -1.191 3.001 1.00 . A A . 17 ASN CA 1 1 19 5494 1 1 17 ASN CB C 25.697 -2.615 2.497 1.00 . A A . 17 ASN CB 1 1 19 5495 1 1 17 ASN CG C 24.922 -3.391 3.563 1.00 . A A . 17 ASN CG 1 1 19 5496 1 1 17 ASN H H 23.832 -0.832 2.939 1.00 . A A . 17 ASN H 1 1 19 5497 1 1 17 ASN HA H 26.571 -1.235 3.892 1.00 . A A . 17 ASN HA 1 1 19 5498 1 1 17 ASN HB2 H 25.136 -2.592 1.572 1.00 . A A . 17 ASN HB2 1 1 19 5499 1 1 17 ASN HB3 H 26.635 -3.102 2.324 1.00 . A A . 17 ASN HB3 1 1 19 5500 1 1 17 ASN HD21 H 23.152 -2.645 3.035 1.00 . A A . 17 ASN HD21 1 1 19 5501 1 1 17 ASN HD22 H 23.137 -3.750 4.339 1.00 . A A . 17 ASN HD22 1 1 19 5502 1 1 17 ASN N N 24.672 -0.509 3.321 1.00 . A A . 17 ASN N 1 1 19 5503 1 1 17 ASN ND2 N 23.632 -3.253 3.653 1.00 . A A . 17 ASN ND2 1 1 19 5504 1 1 17 ASN O O 27.908 -0.251 1.968 1.00 . A A . 17 ASN O 1 1 19 5505 1 1 17 ASN OD1 O 25.500 -4.130 4.330 1.00 . A A . 17 ASN OD1 1 1 19 5506 1 1 18 TYR C C 27.217 2.266 0.507 1.00 . A A . 18 TYR C 1 1 19 5507 1 1 18 TYR CA C 26.663 0.963 -0.094 1.00 . A A . 18 TYR CA 1 1 19 5508 1 1 18 TYR CB C 25.653 1.293 -1.199 1.00 . A A . 18 TYR CB 1 1 19 5509 1 1 18 TYR CD1 C 27.311 1.838 -3.027 1.00 . A A . 18 TYR CD1 1 1 19 5510 1 1 18 TYR CD2 C 25.821 3.582 -2.243 1.00 . A A . 18 TYR CD2 1 1 19 5511 1 1 18 TYR CE1 C 27.891 2.741 -3.927 1.00 . A A . 18 TYR CE1 1 1 19 5512 1 1 18 TYR CE2 C 26.400 4.481 -3.146 1.00 . A A . 18 TYR CE2 1 1 19 5513 1 1 18 TYR CG C 26.275 2.260 -2.182 1.00 . A A . 18 TYR CG 1 1 19 5514 1 1 18 TYR CZ C 27.434 4.060 -3.986 1.00 . A A . 18 TYR CZ 1 1 19 5515 1 1 18 TYR H H 25.016 0.037 0.956 1.00 . A A . 18 TYR H 1 1 19 5516 1 1 18 TYR HA H 27.478 0.392 -0.513 1.00 . A A . 18 TYR HA 1 1 19 5517 1 1 18 TYR HB2 H 25.373 0.382 -1.713 1.00 . A A . 18 TYR HB2 1 1 19 5518 1 1 18 TYR HB3 H 24.776 1.740 -0.759 1.00 . A A . 18 TYR HB3 1 1 19 5519 1 1 18 TYR HD1 H 27.664 0.819 -2.983 1.00 . A A . 18 TYR HD1 1 1 19 5520 1 1 18 TYR HD2 H 25.023 3.909 -1.593 1.00 . A A . 18 TYR HD2 1 1 19 5521 1 1 18 TYR HE1 H 28.689 2.419 -4.579 1.00 . A A . 18 TYR HE1 1 1 19 5522 1 1 18 TYR HE2 H 26.049 5.501 -3.193 1.00 . A A . 18 TYR HE2 1 1 19 5523 1 1 18 TYR HH H 28.786 5.320 -4.447 1.00 . A A . 18 TYR HH 1 1 19 5524 1 1 18 TYR N N 25.992 0.157 0.972 1.00 . A A . 18 TYR N 1 1 19 5525 1 1 18 TYR O O 28.308 2.684 0.184 1.00 . A A . 18 TYR O 1 1 19 5526 1 1 18 TYR OH O 28.007 4.948 -4.868 1.00 . A A . 18 TYR OH 1 1 19 5527 1 1 19 NH2 HN1 H 25.609 2.615 1.640 1.00 . A A . 19 NH2 HN1 1 1 19 5528 1 1 19 NH2 HN2 H 26.865 3.779 1.743 1.00 . A A . 19 NH2 HN2 1 1 19 5529 1 1 19 NH2 N N 26.505 2.943 1.366 1.00 . A A . 19 NH2 N 1 1 20 5530 1 1 1 GLY C C 2.767 2.003 0.884 1.00 . A A . 1 GLY C 1 1 20 5531 1 1 1 GLY CA C 1.717 3.019 0.421 1.00 . A A . 1 GLY CA 1 1 20 5532 1 1 1 GLY H1 H 1.310 4.916 1.193 1.00 . A A . 1 GLY H1 1 1 20 5533 1 1 1 GLY H2 H 2.549 4.898 0.021 1.00 . A A . 1 GLY H2 1 1 20 5534 1 1 1 GLY H3 H 2.848 4.321 1.597 1.00 . A A . 1 GLY H3 1 1 20 5535 1 1 1 GLY HA2 H 0.763 2.778 0.868 1.00 . A A . 1 GLY HA2 1 1 20 5536 1 1 1 GLY HA3 H 1.630 2.980 -0.655 1.00 . A A . 1 GLY HA3 1 1 20 5537 1 1 1 GLY N N 2.136 4.391 0.841 1.00 . A A . 1 GLY N 1 1 20 5538 1 1 1 GLY O O 3.864 2.369 1.250 1.00 . A A . 1 GLY O 1 1 20 5539 1 1 2 GLU C C 4.670 -0.285 0.440 1.00 . A A . 2 GLU C 1 1 20 5540 1 1 2 GLU CA C 3.412 -0.306 1.325 1.00 . A A . 2 GLU CA 1 1 20 5541 1 1 2 GLU CB C 2.739 -1.680 1.226 1.00 . A A . 2 GLU CB 1 1 20 5542 1 1 2 GLU CD C 3.104 -4.147 1.384 1.00 . A A . 2 GLU CD 1 1 20 5543 1 1 2 GLU CG C 3.723 -2.775 1.653 1.00 . A A . 2 GLU CG 1 1 20 5544 1 1 2 GLU H H 1.540 0.470 0.583 1.00 . A A . 2 GLU H 1 1 20 5545 1 1 2 GLU HA H 3.694 -0.121 2.352 1.00 . A A . 2 GLU HA 1 1 20 5546 1 1 2 GLU HB2 H 1.874 -1.702 1.873 1.00 . A A . 2 GLU HB2 1 1 20 5547 1 1 2 GLU HB3 H 2.430 -1.856 0.206 1.00 . A A . 2 GLU HB3 1 1 20 5548 1 1 2 GLU HG2 H 4.639 -2.678 1.091 1.00 . A A . 2 GLU HG2 1 1 20 5549 1 1 2 GLU HG3 H 3.934 -2.680 2.707 1.00 . A A . 2 GLU HG3 1 1 20 5550 1 1 2 GLU N N 2.438 0.738 0.877 1.00 . A A . 2 GLU N 1 1 20 5551 1 1 2 GLU O O 5.782 -0.148 0.925 1.00 . A A . 2 GLU O 1 1 20 5552 1 1 2 GLU OE1 O 2.149 -4.490 2.063 1.00 . A A . 2 GLU OE1 1 1 20 5553 1 1 2 GLU OE2 O 3.594 -4.825 0.498 1.00 . A A . 2 GLU OE2 1 1 20 5554 1 1 3 CGU C C 6.609 0.741 -1.469 1.00 . A A . 3 CGU C 1 1 20 5555 1 1 3 CGU CA C 5.672 -0.433 -1.786 1.00 . A A . 3 CGU CA 1 1 20 5556 1 1 3 CGU CB C 5.159 -0.300 -3.241 1.00 . A A . 3 CGU CB 1 1 20 5557 1 1 3 CGU CD1 C 7.197 -1.472 -4.197 1.00 . A A . 3 CGU CD1 1 1 20 5558 1 1 3 CGU CD2 C 5.866 0.039 -5.649 1.00 . A A . 3 CGU CD2 1 1 20 5559 1 1 3 CGU CG C 6.352 -0.188 -4.209 1.00 . A A . 3 CGU CG 1 1 20 5560 1 1 3 CGU H H 3.597 -0.544 -1.207 1.00 . A A . 3 CGU H 1 1 20 5561 1 1 3 CGU HA H 6.226 -1.359 -1.666 1.00 . A A . 3 CGU HA 1 1 20 5562 1 1 3 CGU HB2 H 4.560 0.597 -3.320 1.00 . A A . 3 CGU HB2 1 1 20 5563 1 1 3 CGU HB3 H 4.547 -1.159 -3.513 1.00 . A A . 3 CGU HB3 1 1 20 5564 1 1 3 CGU HG H 6.970 0.646 -3.913 1.00 . A A . 3 CGU HG 1 1 20 5565 1 1 3 CGU N N 4.502 -0.428 -0.850 1.00 . A A . 3 CGU N 1 1 20 5566 1 1 3 CGU O O 7.814 0.637 -1.610 1.00 . A A . 3 CGU O 1 1 20 5567 1 1 3 CGU OE11 O 8.266 -1.450 -4.790 1.00 . A A . 3 CGU OE11 1 1 20 5568 1 1 3 CGU OE12 O 6.764 -2.453 -3.618 1.00 . A A . 3 CGU OE12 1 1 20 5569 1 1 3 CGU OE21 O 4.682 0.263 -5.840 1.00 . A A . 3 CGU OE21 1 1 20 5570 1 1 3 CGU OE22 O 6.702 -0.016 -6.544 1.00 . A A . 3 CGU OE22 1 1 20 5571 1 1 4 CGU C C 7.892 2.651 0.417 1.00 . A A . 4 CGU C 1 1 20 5572 1 1 4 CGU CA C 6.931 3.021 -0.714 1.00 . A A . 4 CGU CA 1 1 20 5573 1 1 4 CGU CB C 6.046 4.191 -0.285 1.00 . A A . 4 CGU CB 1 1 20 5574 1 1 4 CGU CD1 C 6.846 5.785 -2.058 1.00 . A A . 4 CGU CD1 1 1 20 5575 1 1 4 CGU CD2 C 4.522 5.983 -1.138 1.00 . A A . 4 CGU CD2 1 1 20 5576 1 1 4 CGU CG C 5.637 5.003 -1.519 1.00 . A A . 4 CGU CG 1 1 20 5577 1 1 4 CGU H H 5.101 1.911 -0.928 1.00 . A A . 4 CGU H 1 1 20 5578 1 1 4 CGU HA H 7.502 3.302 -1.589 1.00 . A A . 4 CGU HA 1 1 20 5579 1 1 4 CGU HB2 H 6.591 4.826 0.398 1.00 . A A . 4 CGU HB2 1 1 20 5580 1 1 4 CGU HB3 H 5.161 3.810 0.206 1.00 . A A . 4 CGU HB3 1 1 20 5581 1 1 4 CGU HG H 5.275 4.332 -2.286 1.00 . A A . 4 CGU HG 1 1 20 5582 1 1 4 CGU N N 6.071 1.850 -1.039 1.00 . A A . 4 CGU N 1 1 20 5583 1 1 4 CGU O O 9.023 3.103 0.455 1.00 . A A . 4 CGU O 1 1 20 5584 1 1 4 CGU OE11 O 7.682 6.188 -1.259 1.00 . A A . 4 CGU OE11 1 1 20 5585 1 1 4 CGU OE12 O 6.919 5.963 -3.262 1.00 . A A . 4 CGU OE12 1 1 20 5586 1 1 4 CGU OE21 O 3.404 5.526 -0.943 1.00 . A A . 4 CGU OE21 1 1 20 5587 1 1 4 CGU OE22 O 4.799 7.166 -1.038 1.00 . A A . 4 CGU OE22 1 1 20 5588 1 1 5 LEU C C 9.241 0.264 1.966 1.00 . A A . 5 LEU C 1 1 20 5589 1 1 5 LEU CA C 8.337 1.400 2.447 1.00 . A A . 5 LEU CA 1 1 20 5590 1 1 5 LEU CB C 7.474 0.912 3.615 1.00 . A A . 5 LEU CB 1 1 20 5591 1 1 5 LEU CD1 C 5.565 2.540 3.767 1.00 . A A . 5 LEU CD1 1 1 20 5592 1 1 5 LEU CD2 C 6.698 1.744 5.842 1.00 . A A . 5 LEU CD2 1 1 20 5593 1 1 5 LEU CG C 6.905 2.118 4.374 1.00 . A A . 5 LEU CG 1 1 20 5594 1 1 5 LEU H H 6.543 1.461 1.268 1.00 . A A . 5 LEU H 1 1 20 5595 1 1 5 LEU HA H 8.944 2.234 2.767 1.00 . A A . 5 LEU HA 1 1 20 5596 1 1 5 LEU HB2 H 6.664 0.303 3.237 1.00 . A A . 5 LEU HB2 1 1 20 5597 1 1 5 LEU HB3 H 8.082 0.323 4.285 1.00 . A A . 5 LEU HB3 1 1 20 5598 1 1 5 LEU HD11 H 5.348 1.929 2.905 1.00 . A A . 5 LEU HD11 1 1 20 5599 1 1 5 LEU HD12 H 5.615 3.577 3.469 1.00 . A A . 5 LEU HD12 1 1 20 5600 1 1 5 LEU HD13 H 4.781 2.415 4.503 1.00 . A A . 5 LEU HD13 1 1 20 5601 1 1 5 LEU HD21 H 6.163 2.537 6.343 1.00 . A A . 5 LEU HD21 1 1 20 5602 1 1 5 LEU HD22 H 7.657 1.601 6.317 1.00 . A A . 5 LEU HD22 1 1 20 5603 1 1 5 LEU HD23 H 6.127 0.830 5.903 1.00 . A A . 5 LEU HD23 1 1 20 5604 1 1 5 LEU HG H 7.600 2.942 4.307 1.00 . A A . 5 LEU HG 1 1 20 5605 1 1 5 LEU N N 7.454 1.820 1.327 1.00 . A A . 5 LEU N 1 1 20 5606 1 1 5 LEU O O 10.432 0.254 2.224 1.00 . A A . 5 LEU O 1 1 20 5607 1 1 6 ALA C C 10.708 -1.274 -0.022 1.00 . A A . 6 ALA C 1 1 20 5608 1 1 6 ALA CA C 9.501 -1.825 0.742 1.00 . A A . 6 ALA CA 1 1 20 5609 1 1 6 ALA CB C 8.644 -2.681 -0.195 1.00 . A A . 6 ALA CB 1 1 20 5610 1 1 6 ALA H H 7.721 -0.645 1.060 1.00 . A A . 6 ALA H 1 1 20 5611 1 1 6 ALA HA H 9.845 -2.428 1.570 1.00 . A A . 6 ALA HA 1 1 20 5612 1 1 6 ALA HB1 H 8.325 -2.085 -1.037 1.00 . A A . 6 ALA HB1 1 1 20 5613 1 1 6 ALA HB2 H 7.777 -3.041 0.340 1.00 . A A . 6 ALA HB2 1 1 20 5614 1 1 6 ALA HB3 H 9.224 -3.521 -0.548 1.00 . A A . 6 ALA HB3 1 1 20 5615 1 1 6 ALA N N 8.683 -0.686 1.258 1.00 . A A . 6 ALA N 1 1 20 5616 1 1 6 ALA O O 11.840 -1.663 0.216 1.00 . A A . 6 ALA O 1 1 20 5617 1 1 7 CGU C C 12.610 0.822 -0.705 1.00 . A A . 7 CGU C 1 1 20 5618 1 1 7 CGU CA C 11.599 0.239 -1.695 1.00 . A A . 7 CGU CA 1 1 20 5619 1 1 7 CGU CB C 11.050 1.349 -2.596 1.00 . A A . 7 CGU CB 1 1 20 5620 1 1 7 CGU CD1 C 9.269 1.782 -4.348 1.00 . A A . 7 CGU CD1 1 1 20 5621 1 1 7 CGU CD2 C 11.106 0.165 -4.834 1.00 . A A . 7 CGU CD2 1 1 20 5622 1 1 7 CGU CG C 10.195 0.724 -3.725 1.00 . A A . 7 CGU CG 1 1 20 5623 1 1 7 CGU H H 9.559 -0.050 -1.090 1.00 . A A . 7 CGU H 1 1 20 5624 1 1 7 CGU HA H 12.075 -0.522 -2.298 1.00 . A A . 7 CGU HA 1 1 20 5625 1 1 7 CGU HB2 H 11.873 1.891 -3.032 1.00 . A A . 7 CGU HB2 1 1 20 5626 1 1 7 CGU HB3 H 10.447 2.031 -2.003 1.00 . A A . 7 CGU HB3 1 1 20 5627 1 1 7 CGU HG H 9.591 -0.084 -3.325 1.00 . A A . 7 CGU HG 1 1 20 5628 1 1 7 CGU N N 10.477 -0.356 -0.927 1.00 . A A . 7 CGU N 1 1 20 5629 1 1 7 CGU O O 13.790 0.524 -0.753 1.00 . A A . 7 CGU O 1 1 20 5630 1 1 7 CGU OE11 O 9.099 2.833 -3.752 1.00 . A A . 7 CGU OE11 1 1 20 5631 1 1 7 CGU OE12 O 8.733 1.512 -5.416 1.00 . A A . 7 CGU OE12 1 1 20 5632 1 1 7 CGU OE21 O 10.572 -0.373 -5.798 1.00 . A A . 7 CGU OE21 1 1 20 5633 1 1 7 CGU OE22 O 12.313 0.283 -4.712 1.00 . A A . 7 CGU OE22 1 1 20 5634 1 1 8 LYS C C 13.694 1.088 2.039 1.00 . A A . 8 LYS C 1 1 20 5635 1 1 8 LYS CA C 13.050 2.220 1.235 1.00 . A A . 8 LYS CA 1 1 20 5636 1 1 8 LYS CB C 12.238 3.121 2.166 1.00 . A A . 8 LYS CB 1 1 20 5637 1 1 8 LYS CD C 10.646 5.058 2.089 1.00 . A A . 8 LYS CD 1 1 20 5638 1 1 8 LYS CE C 9.994 6.045 1.117 1.00 . A A . 8 LYS CE 1 1 20 5639 1 1 8 LYS CG C 11.856 4.400 1.416 1.00 . A A . 8 LYS CG 1 1 20 5640 1 1 8 LYS H H 11.183 1.831 0.239 1.00 . A A . 8 LYS H 1 1 20 5641 1 1 8 LYS HA H 13.815 2.804 0.753 1.00 . A A . 8 LYS HA 1 1 20 5642 1 1 8 LYS HB2 H 11.345 2.601 2.482 1.00 . A A . 8 LYS HB2 1 1 20 5643 1 1 8 LYS HB3 H 12.833 3.376 3.030 1.00 . A A . 8 LYS HB3 1 1 20 5644 1 1 8 LYS HD2 H 9.930 4.299 2.368 1.00 . A A . 8 LYS HD2 1 1 20 5645 1 1 8 LYS HD3 H 10.970 5.590 2.973 1.00 . A A . 8 LYS HD3 1 1 20 5646 1 1 8 LYS HE2 H 9.109 6.470 1.573 1.00 . A A . 8 LYS HE2 1 1 20 5647 1 1 8 LYS HE3 H 10.692 6.836 0.882 1.00 . A A . 8 LYS HE3 1 1 20 5648 1 1 8 LYS HG2 H 12.693 5.086 1.431 1.00 . A A . 8 LYS HG2 1 1 20 5649 1 1 8 LYS HG3 H 11.611 4.156 0.393 1.00 . A A . 8 LYS HG3 1 1 20 5650 1 1 8 LYS HZ1 H 9.380 4.324 0.101 1.00 . A A . 8 LYS HZ1 1 1 20 5651 1 1 8 LYS HZ2 H 10.416 5.338 -0.799 1.00 . A A . 8 LYS HZ2 1 1 20 5652 1 1 8 LYS HZ3 H 8.779 5.778 -0.574 1.00 . A A . 8 LYS HZ3 1 1 20 5653 1 1 8 LYS N N 12.143 1.629 0.212 1.00 . A A . 8 LYS N 1 1 20 5654 1 1 8 LYS NZ N 9.617 5.319 -0.131 1.00 . A A . 8 LYS NZ 1 1 20 5655 1 1 8 LYS O O 14.891 1.073 2.266 1.00 . A A . 8 LYS O 1 1 20 5656 1 1 9 ALA C C 14.590 -1.689 2.479 1.00 . A A . 9 ALA C 1 1 20 5657 1 1 9 ALA CA C 13.447 -1.010 3.246 1.00 . A A . 9 ALA CA 1 1 20 5658 1 1 9 ALA CB C 12.327 -2.024 3.502 1.00 . A A . 9 ALA CB 1 1 20 5659 1 1 9 ALA H H 11.937 0.174 2.254 1.00 . A A . 9 ALA H 1 1 20 5660 1 1 9 ALA HA H 13.821 -0.648 4.193 1.00 . A A . 9 ALA HA 1 1 20 5661 1 1 9 ALA HB1 H 12.538 -2.574 4.407 1.00 . A A . 9 ALA HB1 1 1 20 5662 1 1 9 ALA HB2 H 12.263 -2.710 2.670 1.00 . A A . 9 ALA HB2 1 1 20 5663 1 1 9 ALA HB3 H 11.387 -1.503 3.609 1.00 . A A . 9 ALA HB3 1 1 20 5664 1 1 9 ALA N N 12.903 0.135 2.460 1.00 . A A . 9 ALA N 1 1 20 5665 1 1 9 ALA O O 15.607 -2.053 3.054 1.00 . A A . 9 ALA O 1 1 20 5666 1 1 10 CGU C C 16.624 -1.515 0.089 1.00 . A A . 10 CGU C 1 1 20 5667 1 1 10 CGU CA C 15.539 -2.545 0.437 1.00 . A A . 10 CGU CA 1 1 20 5668 1 1 10 CGU CB C 14.990 -3.200 -0.841 1.00 . A A . 10 CGU CB 1 1 20 5669 1 1 10 CGU CD1 C 15.716 -3.714 -3.222 1.00 . A A . 10 CGU CD1 1 1 20 5670 1 1 10 CGU CD2 C 16.952 -4.724 -1.307 1.00 . A A . 10 CGU CD2 1 1 20 5671 1 1 10 CGU CG C 16.171 -3.481 -1.775 1.00 . A A . 10 CGU CG 1 1 20 5672 1 1 10 CGU H H 13.630 -1.599 0.730 1.00 . A A . 10 CGU H 1 1 20 5673 1 1 10 CGU HA H 15.976 -3.309 1.063 1.00 . A A . 10 CGU HA 1 1 20 5674 1 1 10 CGU HB2 H 14.292 -2.537 -1.328 1.00 . A A . 10 CGU HB2 1 1 20 5675 1 1 10 CGU HB3 H 14.494 -4.128 -0.589 1.00 . A A . 10 CGU HB3 1 1 20 5676 1 1 10 CGU HG H 16.818 -2.625 -1.750 1.00 . A A . 10 CGU HG 1 1 20 5677 1 1 10 CGU N N 14.447 -1.882 1.192 1.00 . A A . 10 CGU N 1 1 20 5678 1 1 10 CGU O O 17.800 -1.767 0.272 1.00 . A A . 10 CGU O 1 1 20 5679 1 1 10 CGU OE11 O 14.522 -3.794 -3.457 1.00 . A A . 10 CGU OE11 1 1 20 5680 1 1 10 CGU OE12 O 16.594 -3.814 -4.077 1.00 . A A . 10 CGU OE12 1 1 20 5681 1 1 10 CGU OE21 O 16.864 -5.066 -0.137 1.00 . A A . 10 CGU OE21 1 1 20 5682 1 1 10 CGU OE22 O 17.645 -5.309 -2.135 1.00 . A A . 10 CGU OE22 1 1 20 5683 1 1 11 PHE C C 18.056 0.975 0.553 1.00 . A A . 11 PHE C 1 1 20 5684 1 1 11 PHE CA C 17.287 0.673 -0.724 1.00 . A A . 11 PHE CA 1 1 20 5685 1 1 11 PHE CB C 16.585 1.912 -1.310 1.00 . A A . 11 PHE CB 1 1 20 5686 1 1 11 PHE CD1 C 17.194 3.613 0.485 1.00 . A A . 11 PHE CD1 1 1 20 5687 1 1 11 PHE CD2 C 17.760 4.086 -1.825 1.00 . A A . 11 PHE CD2 1 1 20 5688 1 1 11 PHE CE1 C 17.718 4.853 0.867 1.00 . A A . 11 PHE CE1 1 1 20 5689 1 1 11 PHE CE2 C 18.294 5.322 -1.440 1.00 . A A . 11 PHE CE2 1 1 20 5690 1 1 11 PHE CG C 17.211 3.224 -0.865 1.00 . A A . 11 PHE CG 1 1 20 5691 1 1 11 PHE CZ C 18.267 5.708 -0.095 1.00 . A A . 11 PHE CZ 1 1 20 5692 1 1 11 PHE H H 15.302 -0.147 -0.516 1.00 . A A . 11 PHE H 1 1 20 5693 1 1 11 PHE HA H 17.976 0.278 -1.455 1.00 . A A . 11 PHE HA 1 1 20 5694 1 1 11 PHE HB2 H 16.635 1.858 -2.386 1.00 . A A . 11 PHE HB2 1 1 20 5695 1 1 11 PHE HB3 H 15.552 1.898 -1.017 1.00 . A A . 11 PHE HB3 1 1 20 5696 1 1 11 PHE HD1 H 16.786 2.955 1.234 1.00 . A A . 11 PHE HD1 1 1 20 5697 1 1 11 PHE HD2 H 17.803 3.783 -2.860 1.00 . A A . 11 PHE HD2 1 1 20 5698 1 1 11 PHE HE1 H 17.704 5.149 1.905 1.00 . A A . 11 PHE HE1 1 1 20 5699 1 1 11 PHE HE2 H 18.718 5.983 -2.183 1.00 . A A . 11 PHE HE2 1 1 20 5700 1 1 11 PHE HZ H 18.672 6.664 0.201 1.00 . A A . 11 PHE HZ 1 1 20 5701 1 1 11 PHE N N 16.254 -0.353 -0.392 1.00 . A A . 11 PHE N 1 1 20 5702 1 1 11 PHE O O 19.255 1.129 0.539 1.00 . A A . 11 PHE O 1 1 20 5703 1 1 12 ALA C C 19.189 0.209 3.116 1.00 . A A . 12 ALA C 1 1 20 5704 1 1 12 ALA CA C 18.089 1.262 2.945 1.00 . A A . 12 ALA CA 1 1 20 5705 1 1 12 ALA CB C 17.100 1.174 4.110 1.00 . A A . 12 ALA CB 1 1 20 5706 1 1 12 ALA H H 16.407 0.847 1.667 1.00 . A A . 12 ALA H 1 1 20 5707 1 1 12 ALA HA H 18.533 2.248 2.917 1.00 . A A . 12 ALA HA 1 1 20 5708 1 1 12 ALA HB1 H 17.641 1.204 5.046 1.00 . A A . 12 ALA HB1 1 1 20 5709 1 1 12 ALA HB2 H 16.548 0.248 4.045 1.00 . A A . 12 ALA HB2 1 1 20 5710 1 1 12 ALA HB3 H 16.413 2.006 4.065 1.00 . A A . 12 ALA HB3 1 1 20 5711 1 1 12 ALA N N 17.379 1.010 1.668 1.00 . A A . 12 ALA N 1 1 20 5712 1 1 12 ALA O O 20.289 0.515 3.519 1.00 . A A . 12 ALA O 1 1 20 5713 1 1 13 ARG C C 21.140 -1.780 2.035 1.00 . A A . 13 ARG C 1 1 20 5714 1 1 13 ARG CA C 19.947 -2.094 2.944 1.00 . A A . 13 ARG CA 1 1 20 5715 1 1 13 ARG CB C 19.357 -3.450 2.547 1.00 . A A . 13 ARG CB 1 1 20 5716 1 1 13 ARG CD C 18.083 -5.440 3.338 1.00 . A A . 13 ARG CD 1 1 20 5717 1 1 13 ARG CG C 18.581 -4.047 3.722 1.00 . A A . 13 ARG CG 1 1 20 5718 1 1 13 ARG CZ C 15.739 -5.382 2.761 1.00 . A A . 13 ARG CZ 1 1 20 5719 1 1 13 ARG H H 18.003 -1.264 2.464 1.00 . A A . 13 ARG H 1 1 20 5720 1 1 13 ARG HA H 20.281 -2.133 3.971 1.00 . A A . 13 ARG HA 1 1 20 5721 1 1 13 ARG HB2 H 18.691 -3.319 1.707 1.00 . A A . 13 ARG HB2 1 1 20 5722 1 1 13 ARG HB3 H 20.157 -4.122 2.269 1.00 . A A . 13 ARG HB3 1 1 20 5723 1 1 13 ARG HD2 H 18.894 -6.002 2.893 1.00 . A A . 13 ARG HD2 1 1 20 5724 1 1 13 ARG HD3 H 17.733 -5.954 4.223 1.00 . A A . 13 ARG HD3 1 1 20 5725 1 1 13 ARG HE H 17.157 -5.177 1.395 1.00 . A A . 13 ARG HE 1 1 20 5726 1 1 13 ARG HG2 H 19.230 -4.118 4.585 1.00 . A A . 13 ARG HG2 1 1 20 5727 1 1 13 ARG HG3 H 17.737 -3.415 3.956 1.00 . A A . 13 ARG HG3 1 1 20 5728 1 1 13 ARG HH11 H 15.596 -7.332 2.413 1.00 . A A . 13 ARG HH11 1 1 20 5729 1 1 13 ARG HH12 H 14.177 -6.580 3.050 1.00 . A A . 13 ARG HH12 1 1 20 5730 1 1 13 ARG HH21 H 15.607 -3.433 3.192 1.00 . A A . 13 ARG HH21 1 1 20 5731 1 1 13 ARG HH22 H 14.185 -4.384 3.498 1.00 . A A . 13 ARG HH22 1 1 20 5732 1 1 13 ARG N N 18.902 -1.032 2.800 1.00 . A A . 13 ARG N 1 1 20 5733 1 1 13 ARG NE N 16.965 -5.312 2.357 1.00 . A A . 13 ARG NE 1 1 20 5734 1 1 13 ARG NH1 N 15.123 -6.517 2.741 1.00 . A A . 13 ARG NH1 1 1 20 5735 1 1 13 ARG NH2 N 15.128 -4.324 3.181 1.00 . A A . 13 ARG NH2 1 1 20 5736 1 1 13 ARG O O 22.243 -1.539 2.498 1.00 . A A . 13 ARG O 1 1 20 5737 1 1 14 CGU C C 22.614 -0.102 0.111 1.00 . A A . 14 CGU C 1 1 20 5738 1 1 14 CGU CA C 22.046 -1.484 -0.191 1.00 . A A . 14 CGU CA 1 1 20 5739 1 1 14 CGU CB C 21.531 -1.547 -1.631 1.00 . A A . 14 CGU CB 1 1 20 5740 1 1 14 CGU CD1 C 19.768 -3.288 -1.545 1.00 . A A . 14 CGU CD1 1 1 20 5741 1 1 14 CGU CD2 C 21.323 -3.256 -3.487 1.00 . A A . 14 CGU CD2 1 1 20 5742 1 1 14 CGU CG C 21.202 -3.002 -1.973 1.00 . A A . 14 CGU CG 1 1 20 5743 1 1 14 CGU H H 20.041 -1.978 0.388 1.00 . A A . 14 CGU H 1 1 20 5744 1 1 14 CGU HA H 22.824 -2.222 -0.060 1.00 . A A . 14 CGU HA 1 1 20 5745 1 1 14 CGU HB2 H 22.283 -1.178 -2.301 1.00 . A A . 14 CGU HB2 1 1 20 5746 1 1 14 CGU HB3 H 20.637 -0.945 -1.725 1.00 . A A . 14 CGU HB3 1 1 20 5747 1 1 14 CGU HG H 21.872 -3.657 -1.439 1.00 . A A . 14 CGU HG 1 1 20 5748 1 1 14 CGU N N 20.931 -1.779 0.743 1.00 . A A . 14 CGU N 1 1 20 5749 1 1 14 CGU O O 23.806 0.101 0.082 1.00 . A A . 14 CGU O 1 1 20 5750 1 1 14 CGU OE11 O 18.873 -2.868 -2.259 1.00 . A A . 14 CGU OE11 1 1 20 5751 1 1 14 CGU OE12 O 19.586 -3.921 -0.524 1.00 . A A . 14 CGU OE12 1 1 20 5752 1 1 14 CGU OE21 O 20.479 -3.972 -4.023 1.00 . A A . 14 CGU OE21 1 1 20 5753 1 1 14 CGU OE22 O 22.249 -2.741 -4.087 1.00 . A A . 14 CGU OE22 1 1 20 5754 1 1 15 LEU C C 23.034 2.152 2.062 1.00 . A A . 15 LEU C 1 1 20 5755 1 1 15 LEU CA C 22.278 2.209 0.735 1.00 . A A . 15 LEU CA 1 1 20 5756 1 1 15 LEU CB C 21.095 3.168 0.819 1.00 . A A . 15 LEU CB 1 1 20 5757 1 1 15 LEU CD1 C 21.042 4.752 -1.115 1.00 . A A . 15 LEU CD1 1 1 20 5758 1 1 15 LEU CD2 C 20.872 2.317 -1.580 1.00 . A A . 15 LEU CD2 1 1 20 5759 1 1 15 LEU CG C 20.516 3.430 -0.580 1.00 . A A . 15 LEU CG 1 1 20 5760 1 1 15 LEU H H 20.807 0.666 0.457 1.00 . A A . 15 LEU H 1 1 20 5761 1 1 15 LEU HA H 22.950 2.538 -0.040 1.00 . A A . 15 LEU HA 1 1 20 5762 1 1 15 LEU HB2 H 20.326 2.741 1.446 1.00 . A A . 15 LEU HB2 1 1 20 5763 1 1 15 LEU HB3 H 21.419 4.106 1.246 1.00 . A A . 15 LEU HB3 1 1 20 5764 1 1 15 LEU HD11 H 22.119 4.731 -1.128 1.00 . A A . 15 LEU HD11 1 1 20 5765 1 1 15 LEU HD12 H 20.701 5.554 -0.480 1.00 . A A . 15 LEU HD12 1 1 20 5766 1 1 15 LEU HD13 H 20.671 4.902 -2.117 1.00 . A A . 15 LEU HD13 1 1 20 5767 1 1 15 LEU HD21 H 21.942 2.212 -1.648 1.00 . A A . 15 LEU HD21 1 1 20 5768 1 1 15 LEU HD22 H 20.477 2.574 -2.553 1.00 . A A . 15 LEU HD22 1 1 20 5769 1 1 15 LEU HD23 H 20.435 1.385 -1.257 1.00 . A A . 15 LEU HD23 1 1 20 5770 1 1 15 LEU HG H 19.456 3.490 -0.491 1.00 . A A . 15 LEU HG 1 1 20 5771 1 1 15 LEU N N 21.774 0.848 0.419 1.00 . A A . 15 LEU N 1 1 20 5772 1 1 15 LEU O O 24.112 2.702 2.194 1.00 . A A . 15 LEU O 1 1 20 5773 1 1 16 ALA C C 24.547 0.634 4.085 1.00 . A A . 16 ALA C 1 1 20 5774 1 1 16 ALA CA C 23.213 1.336 4.338 1.00 . A A . 16 ALA CA 1 1 20 5775 1 1 16 ALA CB C 22.372 0.511 5.316 1.00 . A A . 16 ALA CB 1 1 20 5776 1 1 16 ALA H H 21.638 0.998 2.903 1.00 . A A . 16 ALA H 1 1 20 5777 1 1 16 ALA HA H 23.393 2.319 4.750 1.00 . A A . 16 ALA HA 1 1 20 5778 1 1 16 ALA HB1 H 21.442 1.022 5.513 1.00 . A A . 16 ALA HB1 1 1 20 5779 1 1 16 ALA HB2 H 22.916 0.384 6.240 1.00 . A A . 16 ALA HB2 1 1 20 5780 1 1 16 ALA HB3 H 22.166 -0.459 4.886 1.00 . A A . 16 ALA HB3 1 1 20 5781 1 1 16 ALA N N 22.500 1.459 3.036 1.00 . A A . 16 ALA N 1 1 20 5782 1 1 16 ALA O O 25.577 1.044 4.581 1.00 . A A . 16 ALA O 1 1 20 5783 1 1 17 ASN C C 26.633 -0.263 2.026 1.00 . A A . 17 ASN C 1 1 20 5784 1 1 17 ASN CA C 25.818 -1.121 3.002 1.00 . A A . 17 ASN CA 1 1 20 5785 1 1 17 ASN CB C 25.520 -2.513 2.407 1.00 . A A . 17 ASN CB 1 1 20 5786 1 1 17 ASN CG C 25.785 -2.538 0.897 1.00 . A A . 17 ASN CG 1 1 20 5787 1 1 17 ASN H H 23.695 -0.724 2.897 1.00 . A A . 17 ASN H 1 1 20 5788 1 1 17 ASN HA H 26.379 -1.236 3.921 1.00 . A A . 17 ASN HA 1 1 20 5789 1 1 17 ASN HB2 H 26.150 -3.245 2.889 1.00 . A A . 17 ASN HB2 1 1 20 5790 1 1 17 ASN HB3 H 24.484 -2.763 2.588 1.00 . A A . 17 ASN HB3 1 1 20 5791 1 1 17 ASN HD21 H 27.704 -2.063 1.075 1.00 . A A . 17 ASN HD21 1 1 20 5792 1 1 17 ASN HD22 H 27.147 -2.289 -0.521 1.00 . A A . 17 ASN HD22 1 1 20 5793 1 1 17 ASN N N 24.539 -0.414 3.299 1.00 . A A . 17 ASN N 1 1 20 5794 1 1 17 ASN ND2 N 26.977 -2.277 0.447 1.00 . A A . 17 ASN ND2 1 1 20 5795 1 1 17 ASN O O 27.839 -0.169 2.129 1.00 . A A . 17 ASN O 1 1 20 5796 1 1 17 ASN OD1 O 24.899 -2.812 0.119 1.00 . A A . 17 ASN OD1 1 1 20 5797 1 1 18 TYR C C 27.207 2.498 0.803 1.00 . A A . 18 TYR C 1 1 20 5798 1 1 18 TYR CA C 26.710 1.224 0.102 1.00 . A A . 18 TYR CA 1 1 20 5799 1 1 18 TYR CB C 25.770 1.597 -1.052 1.00 . A A . 18 TYR CB 1 1 20 5800 1 1 18 TYR CD1 C 26.053 4.038 -1.629 1.00 . A A . 18 TYR CD1 1 1 20 5801 1 1 18 TYR CD2 C 27.293 2.393 -2.907 1.00 . A A . 18 TYR CD2 1 1 20 5802 1 1 18 TYR CE1 C 26.624 5.062 -2.394 1.00 . A A . 18 TYR CE1 1 1 20 5803 1 1 18 TYR CE2 C 27.862 3.420 -3.672 1.00 . A A . 18 TYR CE2 1 1 20 5804 1 1 18 TYR CG C 26.387 2.702 -1.885 1.00 . A A . 18 TYR CG 1 1 20 5805 1 1 18 TYR CZ C 27.527 4.751 -3.414 1.00 . A A . 18 TYR CZ 1 1 20 5806 1 1 18 TYR H H 25.001 0.266 1.014 1.00 . A A . 18 TYR H 1 1 20 5807 1 1 18 TYR HA H 27.558 0.680 -0.289 1.00 . A A . 18 TYR HA 1 1 20 5808 1 1 18 TYR HB2 H 25.601 0.728 -1.673 1.00 . A A . 18 TYR HB2 1 1 20 5809 1 1 18 TYR HB3 H 24.828 1.938 -0.649 1.00 . A A . 18 TYR HB3 1 1 20 5810 1 1 18 TYR HD1 H 25.356 4.278 -0.842 1.00 . A A . 18 TYR HD1 1 1 20 5811 1 1 18 TYR HD2 H 27.552 1.364 -3.106 1.00 . A A . 18 TYR HD2 1 1 20 5812 1 1 18 TYR HE1 H 26.367 6.091 -2.197 1.00 . A A . 18 TYR HE1 1 1 20 5813 1 1 18 TYR HE2 H 28.560 3.184 -4.461 1.00 . A A . 18 TYR HE2 1 1 20 5814 1 1 18 TYR HH H 28.835 6.112 -3.672 1.00 . A A . 18 TYR HH 1 1 20 5815 1 1 18 TYR N N 25.979 0.362 1.081 1.00 . A A . 18 TYR N 1 1 20 5816 1 1 18 TYR O O 28.342 2.891 0.645 1.00 . A A . 18 TYR O 1 1 20 5817 1 1 18 TYR OH O 28.089 5.760 -4.165 1.00 . A A . 18 TYR OH 1 1 20 5818 1 1 19 NH2 HN1 H 25.468 2.859 1.721 1.00 . A A . 19 NH2 HN1 1 1 20 5819 1 1 19 NH2 HN2 H 26.727 3.983 2.029 1.00 . A A . 19 NH2 HN2 1 1 20 5820 1 1 19 NH2 N N 26.401 3.168 1.580 1.00 . A A . 19 NH2 N 1 1 stop_ save_
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