NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
641922 | 6qyr | 34369 | cing | 4-filtered-FRED | STAR | entry | full | 8 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6qyr # This FRED archive file contains, for PDB entry <6qyr>: # # - 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_6qyr _Assembly.Sf_category assembly _Assembly.Entry_ID 1 _Assembly.ID 1 _Assembly.Name 6qyr _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Paramagnetic . _Assembly.Thiol_state "all other bound" _Assembly.Molecular_mass 460.53 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 $DAL_LEU_GLY_CYS_THR A . 1 1 stop_ save_ save_DAL_LEU_GLY_CYS_THR _Entity.Sf_category entity _Entity.Entry_ID 1 _Entity.ID 1 _Entity.Name "DAL LEU GLY CYS THR" _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_seq_one_letter_code XLGCT _Entity.Number_of_monomers 5 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 DAL $DAL 1 1 2 LEU . 1 1 3 GLY . 1 1 4 CYS . 1 1 5 THR . 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 DAL 1 1 1 1 LEU 2 2 1 1 GLY 3 3 1 1 CYS 4 4 1 1 THR 5 5 1 1 stop_ save_ save_DAL _Chem_comp.Sf_category chem_comp _Chem_comp.Entry_ID 1 _Chem_comp.ID DAL _Chem_comp.Type non-polymer save_ save_CNS/XPLOR_distance_constraints_2_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 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 1 DAL HA . 1 . HA 1 1 1 1 2 1 1 2 LEU H . 2 . HN 1 1 2 1 1 1 1 1 DAL HB1 . 1 . HB1 1 1 2 1 2 1 1 4 CYS HA . 4 . HA 1 1 3 1 1 1 1 2 LEU HA . 2 . HA 1 1 3 1 2 1 1 3 GLY H . 3 . HN 1 1 4 1 1 1 1 3 GLY H . 3 . HN 1 1 4 1 2 1 1 4 CYS HA . 4 . HA 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 . . . . . 5.2 2.2 6.2 1 1 2 1 . . . . . 3.5 2.8 4.2 1 1 3 1 . . . . . 3.1 2.5 3.7 1 1 4 1 . . . . . 4.0 3.2 4.8 1 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _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 2 LEU C 1 1 3 GLY N 1 1 3 GLY CA 1 1 3 GLY C -104.3 -44.3 . 2 . C . 3 . N . 3 . CA . 3 . C 1 1 2 . 1 1 3 GLY C 1 1 4 CYS N 1 1 4 CYS CA 1 1 4 CYS C -120.799995 -60.800003 . 3 . C . 4 . N . 4 . CA . 4 . C 1 1 3 . 1 1 1 DAL C 1 1 2 LEU N 1 1 2 LEU CA 1 1 2 LEU C -150.8 -30.800001 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1 4 . 1 1 3 GLY N 1 1 3 GLY CA 1 1 3 GLY C 1 1 4 CYS N -56.8 13.2 . 3 . N . 3 . CA . 3 . C . 4 . 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 DAL C C 4.431 5.942 4.822 1.00 . A A . 1 DAL C 1 1 1 2 1 1 1 DAL CA C 3.058 5.377 5.177 1.00 . A A . 1 DAL CA 1 1 1 3 1 1 1 DAL CB C 3.206 3.970 5.759 1.00 . A A . 1 DAL CB 1 1 1 4 1 1 1 DAL H2 H 2.957 7.139 6.281 1.00 . A A . 1 DAL H2 1 1 1 5 1 1 1 DAL H3 H 2.360 5.774 7.097 1.00 . A A . 1 DAL H3 1 1 1 6 1 1 1 DAL HA H 2.448 5.335 4.287 1.00 . A A . 1 DAL HA 1 1 1 7 1 1 1 DAL HB1 H 3.495 3.285 4.976 1.00 . A A . 1 DAL HB1 1 1 1 8 1 1 1 DAL HB2 H 2.264 3.656 6.183 1.00 . A A . 1 DAL HB2 1 1 1 9 1 1 1 DAL N N 2.405 6.263 6.181 1.00 . A A . 1 DAL N 1 1 1 10 1 1 1 DAL O O 5.053 5.519 3.847 1.00 . A A . 1 DAL O 1 1 1 11 1 1 2 LEU C C 7.215 6.464 4.949 1.00 . A A . 2 LEU C 1 1 1 12 1 1 2 LEU CA C 6.195 7.515 5.377 1.00 . A A . 2 LEU CA 1 1 1 13 1 1 2 LEU CB C 6.683 8.216 6.647 1.00 . A A . 2 LEU CB 1 1 1 14 1 1 2 LEU CD1 C 5.051 10.086 6.363 1.00 . A A . 2 LEU CD1 1 1 1 15 1 1 2 LEU CD2 C 7.125 10.433 7.709 1.00 . A A . 2 LEU CD2 1 1 1 16 1 1 2 LEU CG C 6.533 9.730 6.485 1.00 . A A . 2 LEU CG 1 1 1 17 1 1 2 LEU H H 4.355 7.196 6.379 1.00 . A A . 2 LEU H 1 1 1 18 1 1 2 LEU HA H 6.096 8.248 4.591 1.00 . A A . 2 LEU HA 1 1 1 19 1 1 2 LEU HB2 H 6.095 7.883 7.490 1.00 . A A . 2 LEU HB2 1 1 1 20 1 1 2 LEU HB3 H 7.722 7.975 6.814 1.00 . A A . 2 LEU HB3 1 1 1 21 1 1 2 LEU HD11 H 4.878 11.061 6.793 1.00 . A A . 2 LEU HD11 1 1 1 22 1 1 2 LEU HD12 H 4.459 9.351 6.888 1.00 . A A . 2 LEU HD12 1 1 1 23 1 1 2 LEU HD13 H 4.768 10.098 5.321 1.00 . A A . 2 LEU HD13 1 1 1 24 1 1 2 LEU HD21 H 6.748 11.444 7.761 1.00 . A A . 2 LEU HD21 1 1 1 25 1 1 2 LEU HD22 H 8.202 10.456 7.625 1.00 . A A . 2 LEU HD22 1 1 1 26 1 1 2 LEU HD23 H 6.846 9.898 8.603 1.00 . A A . 2 LEU HD23 1 1 1 27 1 1 2 LEU HG H 7.054 10.050 5.595 1.00 . A A . 2 LEU HG 1 1 1 28 1 1 2 LEU N N 4.895 6.899 5.617 1.00 . A A . 2 LEU N 1 1 1 29 1 1 2 LEU O O 7.464 6.276 3.758 1.00 . A A . 2 LEU O 1 1 1 30 1 1 3 GLY C C 8.167 3.363 5.704 1.00 . A A . 3 GLY C 1 1 1 31 1 1 3 GLY CA C 8.792 4.752 5.639 1.00 . A A . 3 GLY CA 1 1 1 32 1 1 3 GLY H H 7.563 5.974 6.859 1.00 . A A . 3 GLY H 1 1 1 33 1 1 3 GLY HA2 H 9.196 4.916 4.650 1.00 . A A . 3 GLY HA2 1 1 1 34 1 1 3 GLY HA3 H 9.590 4.814 6.364 1.00 . A A . 3 GLY HA3 1 1 1 35 1 1 3 GLY N N 7.802 5.782 5.927 1.00 . A A . 3 GLY N 1 1 1 36 1 1 3 GLY O O 8.830 2.360 5.440 1.00 . A A . 3 GLY O 1 1 1 37 1 1 4 CYS C C 5.831 1.516 4.764 1.00 . A A . 4 CYS C 1 1 1 38 1 1 4 CYS CA C 6.178 2.043 6.153 1.00 . A A . 4 CYS CA 1 1 1 39 1 1 4 CYS CB C 4.896 2.221 6.968 1.00 . A A . 4 CYS CB 1 1 1 40 1 1 4 CYS H H 6.409 4.147 6.254 1.00 . A A . 4 CYS H 1 1 1 41 1 1 4 CYS HA H 6.812 1.325 6.652 1.00 . A A . 4 CYS HA 1 1 1 42 1 1 4 CYS HB2 H 4.090 1.680 6.494 1.00 . A A . 4 CYS HB2 1 1 1 43 1 1 4 CYS HB3 H 5.049 1.840 7.966 1.00 . A A . 4 CYS HB3 1 1 1 44 1 1 4 CYS N N 6.886 3.314 6.055 1.00 . A A . 4 CYS N 1 1 1 45 1 1 4 CYS O O 5.797 2.271 3.794 1.00 . A A . 4 CYS O 1 1 1 46 1 1 4 CYS SG S 4.475 3.981 7.050 1.00 . A A . 4 CYS SG 1 1 1 47 1 1 5 THR C C 3.780 -0.107 3.038 1.00 . A A . 5 THR C 1 1 1 48 1 1 5 THR CA C 5.231 -0.404 3.402 1.00 . A A . 5 THR CA 1 1 1 49 1 1 5 THR CB C 5.440 -1.918 3.481 1.00 . A A . 5 THR CB 1 1 1 50 1 1 5 THR CG2 C 4.439 -2.522 4.466 1.00 . A A . 5 THR CG2 1 1 1 51 1 1 5 THR H H 5.616 -0.339 5.485 1.00 . A A . 5 THR H 1 1 1 52 1 1 5 THR HA H 5.875 -0.002 2.634 1.00 . A A . 5 THR HA 1 1 1 53 1 1 5 THR HB H 6.443 -2.126 3.820 1.00 . A A . 5 THR HB 1 1 1 54 1 1 5 THR HG1 H 5.961 -3.109 2.034 1.00 . A A . 5 THR HG1 1 1 1 55 1 1 5 THR HG21 H 3.439 -2.425 4.068 1.00 . A A . 5 THR HG21 1 1 1 56 1 1 5 THR HG22 H 4.503 -2.001 5.410 1.00 . A A . 5 THR HG22 1 1 1 57 1 1 5 THR HG23 H 4.667 -3.567 4.615 1.00 . A A . 5 THR HG23 1 1 1 58 1 1 5 THR N N 5.574 0.214 4.678 1.00 . A A . 5 THR N 1 1 1 59 1 1 5 THR O O 3.473 -0.113 1.858 1.00 . A A . 5 THR O 1 1 1 60 1 1 5 THR OXT O 2.998 0.123 3.945 1.00 . A A . 5 THR OXT 1 1 1 61 1 1 5 THR OG1 O 5.246 -2.488 2.194 1.00 . A A . 5 THR OG1 1 1 2 62 1 1 1 DAL C C 4.420 5.848 4.939 1.00 . A A . 1 DAL C 1 1 2 63 1 1 1 DAL CA C 3.214 5.410 5.765 1.00 . A A . 1 DAL CA 1 1 2 64 1 1 1 DAL CB C 3.219 3.888 5.930 1.00 . A A . 1 DAL CB 1 1 2 65 1 1 1 DAL H2 H 2.693 5.512 7.778 1.00 . A A . 1 DAL H2 1 1 2 66 1 1 1 DAL H3 H 2.920 7.027 7.045 1.00 . A A . 1 DAL H3 1 1 2 67 1 1 1 DAL HA H 2.307 5.715 5.265 1.00 . A A . 1 DAL HA 1 1 2 68 1 1 1 DAL HB1 H 3.448 3.424 4.983 1.00 . A A . 1 DAL HB1 1 1 2 69 1 1 1 DAL HB2 H 2.248 3.559 6.268 1.00 . A A . 1 DAL HB2 1 1 2 70 1 1 1 DAL N N 3.277 6.053 7.109 1.00 . A A . 1 DAL N 1 1 2 71 1 1 1 DAL O O 4.741 5.235 3.920 1.00 . A A . 1 DAL O 1 1 2 72 1 1 2 LEU C C 7.435 6.465 4.864 1.00 . A A . 2 LEU C 1 1 2 73 1 1 2 LEU CA C 6.257 7.415 4.679 1.00 . A A . 2 LEU CA 1 1 2 74 1 1 2 LEU CB C 6.630 8.804 5.206 1.00 . A A . 2 LEU CB 1 1 2 75 1 1 2 LEU CD1 C 7.130 9.553 2.875 1.00 . A A . 2 LEU CD1 1 1 2 76 1 1 2 LEU CD2 C 4.831 9.827 3.812 1.00 . A A . 2 LEU CD2 1 1 2 77 1 1 2 LEU CG C 6.325 9.857 4.140 1.00 . A A . 2 LEU CG 1 1 2 78 1 1 2 LEU H H 4.786 7.358 6.204 1.00 . A A . 2 LEU H 1 1 2 79 1 1 2 LEU HA H 6.030 7.489 3.626 1.00 . A A . 2 LEU HA 1 1 2 80 1 1 2 LEU HB2 H 6.056 9.015 6.096 1.00 . A A . 2 LEU HB2 1 1 2 81 1 1 2 LEU HB3 H 7.683 8.828 5.443 1.00 . A A . 2 LEU HB3 1 1 2 82 1 1 2 LEU HD11 H 7.886 8.815 3.099 1.00 . A A . 2 LEU HD11 1 1 2 83 1 1 2 LEU HD12 H 7.602 10.458 2.522 1.00 . A A . 2 LEU HD12 1 1 2 84 1 1 2 LEU HD13 H 6.469 9.171 2.111 1.00 . A A . 2 LEU HD13 1 1 2 85 1 1 2 LEU HD21 H 4.289 9.399 4.642 1.00 . A A . 2 LEU HD21 1 1 2 86 1 1 2 LEU HD22 H 4.669 9.227 2.929 1.00 . A A . 2 LEU HD22 1 1 2 87 1 1 2 LEU HD23 H 4.482 10.833 3.633 1.00 . A A . 2 LEU HD23 1 1 2 88 1 1 2 LEU HG H 6.595 10.834 4.512 1.00 . A A . 2 LEU HG 1 1 2 89 1 1 2 LEU N N 5.086 6.909 5.385 1.00 . A A . 2 LEU N 1 1 2 90 1 1 2 LEU O O 8.275 6.318 3.976 1.00 . A A . 2 LEU O 1 1 2 91 1 1 3 GLY C C 8.078 3.445 6.087 1.00 . A A . 3 GLY C 1 1 2 92 1 1 3 GLY CA C 8.553 4.873 6.316 1.00 . A A . 3 GLY CA 1 1 2 93 1 1 3 GLY H H 6.780 5.970 6.688 1.00 . A A . 3 GLY H 1 1 2 94 1 1 3 GLY HA2 H 9.396 5.080 5.673 1.00 . A A . 3 GLY HA2 1 1 2 95 1 1 3 GLY HA3 H 8.853 4.985 7.348 1.00 . A A . 3 GLY HA3 1 1 2 96 1 1 3 GLY N N 7.481 5.817 6.022 1.00 . A A . 3 GLY N 1 1 2 97 1 1 3 GLY O O 8.864 2.499 6.144 1.00 . A A . 3 GLY O 1 1 2 98 1 1 4 CYS C C 5.881 1.812 4.103 1.00 . A A . 4 CYS C 1 1 2 99 1 1 4 CYS CA C 6.199 1.988 5.586 1.00 . A A . 4 CYS CA 1 1 2 100 1 1 4 CYS CB C 4.924 1.826 6.418 1.00 . A A . 4 CYS CB 1 1 2 101 1 1 4 CYS H H 6.208 4.094 5.793 1.00 . A A . 4 CYS H 1 1 2 102 1 1 4 CYS HA H 6.908 1.230 5.884 1.00 . A A . 4 CYS HA 1 1 2 103 1 1 4 CYS HB2 H 4.119 1.480 5.786 1.00 . A A . 4 CYS HB2 1 1 2 104 1 1 4 CYS HB3 H 5.097 1.105 7.204 1.00 . A A . 4 CYS HB3 1 1 2 105 1 1 4 CYS N N 6.783 3.301 5.826 1.00 . A A . 4 CYS N 1 1 2 106 1 1 4 CYS O O 4.717 1.768 3.706 1.00 . A A . 4 CYS O 1 1 2 107 1 1 4 CYS SG S 4.473 3.419 7.150 1.00 . A A . 4 CYS SG 1 1 2 108 1 1 5 THR C C 5.601 0.589 1.561 1.00 . A A . 5 THR C 1 1 2 109 1 1 5 THR CA C 6.750 1.548 1.852 1.00 . A A . 5 THR CA 1 1 2 110 1 1 5 THR CB C 8.040 1.011 1.230 1.00 . A A . 5 THR CB 1 1 2 111 1 1 5 THR CG2 C 9.045 0.688 2.336 1.00 . A A . 5 THR CG2 1 1 2 112 1 1 5 THR H H 7.832 1.760 3.661 1.00 . A A . 5 THR H 1 1 2 113 1 1 5 THR HA H 6.524 2.508 1.413 1.00 . A A . 5 THR HA 1 1 2 114 1 1 5 THR HB H 8.460 1.755 0.573 1.00 . A A . 5 THR HB 1 1 2 115 1 1 5 THR HG1 H 7.821 0.044 -0.444 1.00 . A A . 5 THR HG1 1 1 2 116 1 1 5 THR HG21 H 8.593 0.012 3.048 1.00 . A A . 5 THR HG21 1 1 2 117 1 1 5 THR HG22 H 9.333 1.599 2.838 1.00 . A A . 5 THR HG22 1 1 2 118 1 1 5 THR HG23 H 9.918 0.222 1.904 1.00 . A A . 5 THR HG23 1 1 2 119 1 1 5 THR N N 6.926 1.716 3.290 1.00 . A A . 5 THR N 1 1 2 120 1 1 5 THR O O 5.776 -0.599 1.781 1.00 . A A . 5 THR O 1 1 2 121 1 1 5 THR OXT O 4.563 1.055 1.121 1.00 . A A . 5 THR OXT 1 1 2 122 1 1 5 THR OG1 O 7.750 -0.167 0.489 1.00 . A A . 5 THR OG1 1 1 3 123 1 1 1 DAL C C 4.361 5.988 4.796 1.00 . A A . 1 DAL C 1 1 3 124 1 1 1 DAL CA C 3.045 5.396 5.287 1.00 . A A . 1 DAL CA 1 1 3 125 1 1 1 DAL CB C 3.259 3.953 5.751 1.00 . A A . 1 DAL CB 1 1 3 126 1 1 1 DAL H2 H 2.821 7.201 6.299 1.00 . A A . 1 DAL H2 1 1 3 127 1 1 1 DAL H3 H 2.922 5.845 7.316 1.00 . A A . 1 DAL H3 1 1 3 128 1 1 1 DAL HA H 2.324 5.410 4.483 1.00 . A A . 1 DAL HA 1 1 3 129 1 1 1 DAL HB1 H 3.590 3.352 4.917 1.00 . A A . 1 DAL HB1 1 1 3 130 1 1 1 DAL HB2 H 2.330 3.557 6.134 1.00 . A A . 1 DAL HB2 1 1 3 131 1 1 1 DAL N N 2.532 6.210 6.425 1.00 . A A . 1 DAL N 1 1 3 132 1 1 1 DAL O O 4.838 5.654 3.711 1.00 . A A . 1 DAL O 1 1 3 133 1 1 2 LEU C C 7.266 6.461 4.920 1.00 . A A . 2 LEU C 1 1 3 134 1 1 2 LEU CA C 6.204 7.509 5.238 1.00 . A A . 2 LEU CA 1 1 3 135 1 1 2 LEU CB C 6.689 8.398 6.385 1.00 . A A . 2 LEU CB 1 1 3 136 1 1 2 LEU CD1 C 5.336 9.259 8.304 1.00 . A A . 2 LEU CD1 1 1 3 137 1 1 2 LEU CD2 C 5.980 10.795 6.442 1.00 . A A . 2 LEU CD2 1 1 3 138 1 1 2 LEU CG C 5.573 9.362 6.796 1.00 . A A . 2 LEU CG 1 1 3 139 1 1 2 LEU H H 4.515 7.102 6.453 1.00 . A A . 2 LEU H 1 1 3 140 1 1 2 LEU HA H 6.047 8.124 4.365 1.00 . A A . 2 LEU HA 1 1 3 141 1 1 2 LEU HB2 H 6.961 7.780 7.229 1.00 . A A . 2 LEU HB2 1 1 3 142 1 1 2 LEU HB3 H 7.550 8.964 6.062 1.00 . A A . 2 LEU HB3 1 1 3 143 1 1 2 LEU HD11 H 4.413 9.758 8.559 1.00 . A A . 2 LEU HD11 1 1 3 144 1 1 2 LEU HD12 H 6.156 9.727 8.829 1.00 . A A . 2 LEU HD12 1 1 3 145 1 1 2 LEU HD13 H 5.274 8.219 8.588 1.00 . A A . 2 LEU HD13 1 1 3 146 1 1 2 LEU HD21 H 5.922 10.931 5.372 1.00 . A A . 2 LEU HD21 1 1 3 147 1 1 2 LEU HD22 H 6.991 10.974 6.774 1.00 . A A . 2 LEU HD22 1 1 3 148 1 1 2 LEU HD23 H 5.312 11.490 6.930 1.00 . A A . 2 LEU HD23 1 1 3 149 1 1 2 LEU HG H 4.663 9.104 6.272 1.00 . A A . 2 LEU HG 1 1 3 150 1 1 2 LEU N N 4.943 6.872 5.601 1.00 . A A . 2 LEU N 1 1 3 151 1 1 2 LEU O O 7.627 6.263 3.761 1.00 . A A . 2 LEU O 1 1 3 152 1 1 3 GLY C C 8.192 3.373 5.912 1.00 . A A . 3 GLY C 1 1 3 153 1 1 3 GLY CA C 8.787 4.771 5.776 1.00 . A A . 3 GLY CA 1 1 3 154 1 1 3 GLY H H 7.438 5.997 6.860 1.00 . A A . 3 GLY H 1 1 3 155 1 1 3 GLY HA2 H 9.225 4.878 4.793 1.00 . A A . 3 GLY HA2 1 1 3 156 1 1 3 GLY HA3 H 9.555 4.901 6.524 1.00 . A A . 3 GLY HA3 1 1 3 157 1 1 3 GLY N N 7.763 5.795 5.958 1.00 . A A . 3 GLY N 1 1 3 158 1 1 3 GLY O O 8.922 2.386 6.007 1.00 . A A . 3 GLY O 1 1 3 159 1 1 4 CYS C C 5.790 1.477 4.672 1.00 . A A . 4 CYS C 1 1 3 160 1 1 4 CYS CA C 6.187 2.011 6.045 1.00 . A A . 4 CYS CA 1 1 3 161 1 1 4 CYS CB C 4.938 2.165 6.915 1.00 . A A . 4 CYS CB 1 1 3 162 1 1 4 CYS H H 6.335 4.116 5.841 1.00 . A A . 4 CYS H 1 1 3 163 1 1 4 CYS HA H 6.854 1.306 6.516 1.00 . A A . 4 CYS HA 1 1 3 164 1 1 4 CYS HB2 H 4.116 1.630 6.462 1.00 . A A . 4 CYS HB2 1 1 3 165 1 1 4 CYS HB3 H 5.132 1.762 7.898 1.00 . A A . 4 CYS HB3 1 1 3 166 1 1 4 CYS N N 6.866 3.296 5.919 1.00 . A A . 4 CYS N 1 1 3 167 1 1 4 CYS O O 5.126 0.446 4.566 1.00 . A A . 4 CYS O 1 1 3 168 1 1 4 CYS SG S 4.513 3.918 7.055 1.00 . A A . 4 CYS SG 1 1 3 169 1 1 5 THR C C 4.521 1.076 2.221 1.00 . A A . 5 THR C 1 1 3 170 1 1 5 THR CA C 5.877 1.770 2.264 1.00 . A A . 5 THR CA 1 1 3 171 1 1 5 THR CB C 6.956 0.821 1.738 1.00 . A A . 5 THR CB 1 1 3 172 1 1 5 THR CG2 C 8.341 1.398 2.034 1.00 . A A . 5 THR CG2 1 1 3 173 1 1 5 THR H H 6.724 2.999 3.770 1.00 . A A . 5 THR H 1 1 3 174 1 1 5 THR HA H 5.844 2.645 1.631 1.00 . A A . 5 THR HA 1 1 3 175 1 1 5 THR HB H 6.842 0.702 0.671 1.00 . A A . 5 THR HB 1 1 3 176 1 1 5 THR HG1 H 7.692 -0.720 2.671 1.00 . A A . 5 THR HG1 1 1 3 177 1 1 5 THR HG21 H 8.871 1.558 1.107 1.00 . A A . 5 THR HG21 1 1 3 178 1 1 5 THR HG22 H 8.896 0.706 2.651 1.00 . A A . 5 THR HG22 1 1 3 179 1 1 5 THR HG23 H 8.236 2.338 2.556 1.00 . A A . 5 THR HG23 1 1 3 180 1 1 5 THR N N 6.199 2.185 3.625 1.00 . A A . 5 THR N 1 1 3 181 1 1 5 THR O O 4.499 -0.130 2.035 1.00 . A A . 5 THR O 1 1 3 182 1 1 5 THR OXT O 3.522 1.759 2.375 1.00 . A A . 5 THR OXT 1 1 3 183 1 1 5 THR OG1 O 6.822 -0.444 2.373 1.00 . A A . 5 THR OG1 1 1 4 184 1 1 1 DAL C C 4.387 5.930 4.822 1.00 . A A . 1 DAL C 1 1 4 185 1 1 1 DAL CA C 3.023 5.384 5.230 1.00 . A A . 1 DAL CA 1 1 4 186 1 1 1 DAL CB C 3.180 3.987 5.837 1.00 . A A . 1 DAL CB 1 1 4 187 1 1 1 DAL H2 H 1.375 6.158 6.240 1.00 . A A . 1 DAL H2 1 1 4 188 1 1 1 DAL H3 H 2.628 7.279 5.995 1.00 . A A . 1 DAL H3 1 1 4 189 1 1 1 DAL HA H 2.385 5.328 4.360 1.00 . A A . 1 DAL HA 1 1 4 190 1 1 1 DAL HB1 H 3.421 3.281 5.055 1.00 . A A . 1 DAL HB1 1 1 4 191 1 1 1 DAL HB2 H 2.255 3.696 6.312 1.00 . A A . 1 DAL HB2 1 1 4 192 1 1 1 DAL N N 2.408 6.293 6.237 1.00 . A A . 1 DAL N 1 1 4 193 1 1 1 DAL O O 4.961 5.506 3.820 1.00 . A A . 1 DAL O 1 1 4 194 1 1 2 LEU C C 7.211 6.397 4.938 1.00 . A A . 2 LEU C 1 1 4 195 1 1 2 LEU CA C 6.197 7.473 5.314 1.00 . A A . 2 LEU CA 1 1 4 196 1 1 2 LEU CB C 6.701 8.246 6.536 1.00 . A A . 2 LEU CB 1 1 4 197 1 1 2 LEU CD1 C 7.915 10.429 6.418 1.00 . A A . 2 LEU CD1 1 1 4 198 1 1 2 LEU CD2 C 9.131 8.361 7.114 1.00 . A A . 2 LEU CD2 1 1 4 199 1 1 2 LEU CG C 8.035 8.919 6.202 1.00 . A A . 2 LEU CG 1 1 4 200 1 1 2 LEU H H 4.396 7.173 6.391 1.00 . A A . 2 LEU H 1 1 4 201 1 1 2 LEU HA H 6.090 8.158 4.488 1.00 . A A . 2 LEU HA 1 1 4 202 1 1 2 LEU HB2 H 5.974 8.998 6.808 1.00 . A A . 2 LEU HB2 1 1 4 203 1 1 2 LEU HB3 H 6.839 7.564 7.361 1.00 . A A . 2 LEU HB3 1 1 4 204 1 1 2 LEU HD11 H 8.903 10.861 6.493 1.00 . A A . 2 LEU HD11 1 1 4 205 1 1 2 LEU HD12 H 7.369 10.620 7.329 1.00 . A A . 2 LEU HD12 1 1 4 206 1 1 2 LEU HD13 H 7.392 10.871 5.584 1.00 . A A . 2 LEU HD13 1 1 4 207 1 1 2 LEU HD21 H 10.100 8.603 6.702 1.00 . A A . 2 LEU HD21 1 1 4 208 1 1 2 LEU HD22 H 9.028 7.288 7.187 1.00 . A A . 2 LEU HD22 1 1 4 209 1 1 2 LEU HD23 H 9.038 8.800 8.097 1.00 . A A . 2 LEU HD23 1 1 4 210 1 1 2 LEU HG H 8.290 8.724 5.170 1.00 . A A . 2 LEU HG 1 1 4 211 1 1 2 LEU N N 4.899 6.874 5.605 1.00 . A A . 2 LEU N 1 1 4 212 1 1 2 LEU O O 7.419 6.113 3.758 1.00 . A A . 2 LEU O 1 1 4 213 1 1 3 GLY C C 8.204 3.375 5.831 1.00 . A A . 3 GLY C 1 1 4 214 1 1 3 GLY CA C 8.830 4.760 5.709 1.00 . A A . 3 GLY CA 1 1 4 215 1 1 3 GLY H H 7.633 6.071 6.866 1.00 . A A . 3 GLY H 1 1 4 216 1 1 3 GLY HA2 H 9.240 4.880 4.715 1.00 . A A . 3 GLY HA2 1 1 4 217 1 1 3 GLY HA3 H 9.624 4.853 6.434 1.00 . A A . 3 GLY HA3 1 1 4 218 1 1 3 GLY N N 7.839 5.803 5.947 1.00 . A A . 3 GLY N 1 1 4 219 1 1 3 GLY O O 8.903 2.362 5.801 1.00 . A A . 3 GLY O 1 1 4 220 1 1 4 CYS C C 5.756 1.552 4.721 1.00 . A A . 4 CYS C 1 1 4 221 1 1 4 CYS CA C 6.172 2.070 6.093 1.00 . A A . 4 CYS CA 1 1 4 222 1 1 4 CYS CB C 4.933 2.251 6.971 1.00 . A A . 4 CYS CB 1 1 4 223 1 1 4 CYS H H 6.376 4.177 5.984 1.00 . A A . 4 CYS H 1 1 4 224 1 1 4 CYS HA H 6.825 1.347 6.557 1.00 . A A . 4 CYS HA 1 1 4 225 1 1 4 CYS HB2 H 4.106 1.705 6.541 1.00 . A A . 4 CYS HB2 1 1 4 226 1 1 4 CYS HB3 H 5.136 1.876 7.963 1.00 . A A . 4 CYS HB3 1 1 4 227 1 1 4 CYS N N 6.883 3.339 5.967 1.00 . A A . 4 CYS N 1 1 4 228 1 1 4 CYS O O 5.256 2.307 3.886 1.00 . A A . 4 CYS O 1 1 4 229 1 1 4 CYS SG S 4.510 4.008 7.063 1.00 . A A . 4 CYS SG 1 1 4 230 1 1 5 THR C C 4.292 -1.112 3.339 1.00 . A A . 5 THR C 1 1 4 231 1 1 5 THR CA C 5.608 -0.350 3.218 1.00 . A A . 5 THR CA 1 1 4 232 1 1 5 THR CB C 6.714 -1.307 2.768 1.00 . A A . 5 THR CB 1 1 4 233 1 1 5 THR CG2 C 8.072 -0.772 3.226 1.00 . A A . 5 THR CG2 1 1 4 234 1 1 5 THR H H 6.368 -0.294 5.195 1.00 . A A . 5 THR H 1 1 4 235 1 1 5 THR HA H 5.496 0.427 2.477 1.00 . A A . 5 THR HA 1 1 4 236 1 1 5 THR HB H 6.709 -1.383 1.690 1.00 . A A . 5 THR HB 1 1 4 237 1 1 5 THR HG1 H 6.721 -3.249 2.679 1.00 . A A . 5 THR HG1 1 1 4 238 1 1 5 THR HG21 H 8.071 -0.666 4.302 1.00 . A A . 5 THR HG21 1 1 4 239 1 1 5 THR HG22 H 8.254 0.189 2.769 1.00 . A A . 5 THR HG22 1 1 4 240 1 1 5 THR HG23 H 8.849 -1.463 2.934 1.00 . A A . 5 THR HG23 1 1 4 241 1 1 5 THR N N 5.966 0.259 4.494 1.00 . A A . 5 THR N 1 1 4 242 1 1 5 THR O O 4.310 -2.203 3.884 1.00 . A A . 5 THR O 1 1 4 243 1 1 5 THR OXT O 3.286 -0.594 2.883 1.00 . A A . 5 THR OXT 1 1 4 244 1 1 5 THR OG1 O 6.490 -2.589 3.336 1.00 . A A . 5 THR OG1 1 1 5 245 1 1 1 DAL C C 4.480 5.900 4.858 1.00 . A A . 1 DAL C 1 1 5 246 1 1 1 DAL CA C 3.138 5.323 5.294 1.00 . A A . 1 DAL CA 1 1 5 247 1 1 1 DAL CB C 3.313 3.868 5.732 1.00 . A A . 1 DAL CB 1 1 5 248 1 1 1 DAL H2 H 2.018 5.508 7.040 1.00 . A A . 1 DAL H2 1 1 5 249 1 1 1 DAL H3 H 2.024 6.902 6.069 1.00 . A A . 1 DAL H3 1 1 5 250 1 1 1 DAL HA H 2.443 5.368 4.468 1.00 . A A . 1 DAL HA 1 1 5 251 1 1 1 DAL HB1 H 3.760 3.301 4.929 1.00 . A A . 1 DAL HB1 1 1 5 252 1 1 1 DAL HB2 H 2.349 3.446 5.977 1.00 . A A . 1 DAL HB2 1 1 5 253 1 1 1 DAL N N 2.603 6.120 6.434 1.00 . A A . 1 DAL N 1 1 5 254 1 1 1 DAL O O 5.087 5.427 3.898 1.00 . A A . 1 DAL O 1 1 5 255 1 1 2 LEU C C 7.267 6.507 4.920 1.00 . A A . 2 LEU C 1 1 5 256 1 1 2 LEU CA C 6.210 7.558 5.247 1.00 . A A . 2 LEU CA 1 1 5 257 1 1 2 LEU CB C 6.683 8.411 6.427 1.00 . A A . 2 LEU CB 1 1 5 258 1 1 2 LEU CD1 C 7.072 10.430 5.005 1.00 . A A . 2 LEU CD1 1 1 5 259 1 1 2 LEU CD2 C 4.788 9.948 5.899 1.00 . A A . 2 LEU CD2 1 1 5 260 1 1 2 LEU CG C 6.288 9.869 6.193 1.00 . A A . 2 LEU CG 1 1 5 261 1 1 2 LEU H H 4.411 7.260 6.326 1.00 . A A . 2 LEU H 1 1 5 262 1 1 2 LEU HA H 6.075 8.198 4.388 1.00 . A A . 2 LEU HA 1 1 5 263 1 1 2 LEU HB2 H 6.224 8.052 7.336 1.00 . A A . 2 LEU HB2 1 1 5 264 1 1 2 LEU HB3 H 7.758 8.341 6.514 1.00 . A A . 2 LEU HB3 1 1 5 265 1 1 2 LEU HD11 H 7.843 9.729 4.721 1.00 . A A . 2 LEU HD11 1 1 5 266 1 1 2 LEU HD12 H 7.524 11.370 5.283 1.00 . A A . 2 LEU HD12 1 1 5 267 1 1 2 LEU HD13 H 6.402 10.585 4.173 1.00 . A A . 2 LEU HD13 1 1 5 268 1 1 2 LEU HD21 H 4.390 10.871 6.295 1.00 . A A . 2 LEU HD21 1 1 5 269 1 1 2 LEU HD22 H 4.286 9.111 6.360 1.00 . A A . 2 LEU HD22 1 1 5 270 1 1 2 LEU HD23 H 4.630 9.919 4.830 1.00 . A A . 2 LEU HD23 1 1 5 271 1 1 2 LEU HG H 6.513 10.449 7.078 1.00 . A A . 2 LEU HG 1 1 5 272 1 1 2 LEU N N 4.937 6.925 5.570 1.00 . A A . 2 LEU N 1 1 5 273 1 1 2 LEU O O 7.647 6.335 3.762 1.00 . A A . 2 LEU O 1 1 5 274 1 1 3 GLY C C 8.106 3.392 5.670 1.00 . A A . 3 GLY C 1 1 5 275 1 1 3 GLY CA C 8.746 4.773 5.757 1.00 . A A . 3 GLY CA 1 1 5 276 1 1 3 GLY H H 7.393 5.986 6.849 1.00 . A A . 3 GLY H 1 1 5 277 1 1 3 GLY HA2 H 9.289 4.973 4.844 1.00 . A A . 3 GLY HA2 1 1 5 278 1 1 3 GLY HA3 H 9.433 4.791 6.590 1.00 . A A . 3 GLY HA3 1 1 5 279 1 1 3 GLY N N 7.734 5.806 5.948 1.00 . A A . 3 GLY N 1 1 5 280 1 1 3 GLY O O 8.739 2.430 5.236 1.00 . A A . 3 GLY O 1 1 5 281 1 1 4 CYS C C 5.651 1.727 4.631 1.00 . A A . 4 CYS C 1 1 5 282 1 1 4 CYS CA C 6.129 2.033 6.047 1.00 . A A . 4 CYS CA 1 1 5 283 1 1 4 CYS CB C 4.928 2.085 6.994 1.00 . A A . 4 CYS CB 1 1 5 284 1 1 4 CYS H H 6.391 4.103 6.420 1.00 . A A . 4 CYS H 1 1 5 285 1 1 4 CYS HA H 6.793 1.246 6.371 1.00 . A A . 4 CYS HA 1 1 5 286 1 1 4 CYS HB2 H 4.120 1.497 6.582 1.00 . A A . 4 CYS HB2 1 1 5 287 1 1 4 CYS HB3 H 5.210 1.685 7.956 1.00 . A A . 4 CYS HB3 1 1 5 288 1 1 4 CYS N N 6.846 3.303 6.084 1.00 . A A . 4 CYS N 1 1 5 289 1 1 4 CYS O O 4.971 0.728 4.397 1.00 . A A . 4 CYS O 1 1 5 290 1 1 4 CYS SG S 4.387 3.801 7.188 1.00 . A A . 4 CYS SG 1 1 5 291 1 1 5 THR C C 4.154 1.978 2.213 1.00 . A A . 5 THR C 1 1 5 292 1 1 5 THR CA C 5.616 2.406 2.299 1.00 . A A . 5 THR CA 1 1 5 293 1 1 5 THR CB C 6.500 1.343 1.643 1.00 . A A . 5 THR CB 1 1 5 294 1 1 5 THR CG2 C 6.481 1.527 0.124 1.00 . A A . 5 THR CG2 1 1 5 295 1 1 5 THR H H 6.556 3.371 3.934 1.00 . A A . 5 THR H 1 1 5 296 1 1 5 THR HA H 5.741 3.337 1.770 1.00 . A A . 5 THR HA 1 1 5 297 1 1 5 THR HB H 6.125 0.361 1.886 1.00 . A A . 5 THR HB 1 1 5 298 1 1 5 THR HG1 H 8.394 1.695 1.376 1.00 . A A . 5 THR HG1 1 1 5 299 1 1 5 THR HG21 H 6.818 2.523 -0.122 1.00 . A A . 5 THR HG21 1 1 5 300 1 1 5 THR HG22 H 5.476 1.385 -0.243 1.00 . A A . 5 THR HG22 1 1 5 301 1 1 5 THR HG23 H 7.139 0.803 -0.334 1.00 . A A . 5 THR HG23 1 1 5 302 1 1 5 THR N N 6.013 2.593 3.690 1.00 . A A . 5 THR N 1 1 5 303 1 1 5 THR O O 3.311 2.719 2.693 1.00 . A A . 5 THR O 1 1 5 304 1 1 5 THR OXT O 3.898 0.917 1.667 1.00 . A A . 5 THR OXT 1 1 5 305 1 1 5 THR OG1 O 7.831 1.474 2.122 1.00 . A A . 5 THR OG1 1 1 6 306 1 1 1 DAL C C 4.462 5.902 4.919 1.00 . A A . 1 DAL C 1 1 6 307 1 1 1 DAL CA C 3.242 5.408 5.687 1.00 . A A . 1 DAL CA 1 1 6 308 1 1 1 DAL CB C 3.250 3.879 5.747 1.00 . A A . 1 DAL CB 1 1 6 309 1 1 1 DAL H2 H 3.589 6.947 7.046 1.00 . A A . 1 DAL H2 1 1 6 310 1 1 1 DAL H3 H 3.931 5.397 7.651 1.00 . A A . 1 DAL H3 1 1 6 311 1 1 1 DAL HA H 2.344 5.743 5.189 1.00 . A A . 1 DAL HA 1 1 6 312 1 1 1 DAL HB1 H 3.597 3.483 4.804 1.00 . A A . 1 DAL HB1 1 1 6 313 1 1 1 DAL HB2 H 2.250 3.521 5.941 1.00 . A A . 1 DAL HB2 1 1 6 314 1 1 1 DAL N N 3.273 5.956 7.073 1.00 . A A . 1 DAL N 1 1 6 315 1 1 1 DAL O O 4.844 5.322 3.903 1.00 . A A . 1 DAL O 1 1 6 316 1 1 2 LEU C C 7.435 6.582 4.897 1.00 . A A . 2 LEU C 1 1 6 317 1 1 2 LEU CA C 6.250 7.533 4.760 1.00 . A A . 2 LEU CA 1 1 6 318 1 1 2 LEU CB C 6.608 8.884 5.383 1.00 . A A . 2 LEU CB 1 1 6 319 1 1 2 LEU CD1 C 4.283 9.658 5.915 1.00 . A A . 2 LEU CD1 1 1 6 320 1 1 2 LEU CD2 C 6.051 11.318 5.311 1.00 . A A . 2 LEU CD2 1 1 6 321 1 1 2 LEU CG C 5.519 9.908 5.047 1.00 . A A . 2 LEU CG 1 1 6 322 1 1 2 LEU H H 4.726 7.397 6.225 1.00 . A A . 2 LEU H 1 1 6 323 1 1 2 LEU HA H 6.037 7.677 3.711 1.00 . A A . 2 LEU HA 1 1 6 324 1 1 2 LEU HB2 H 6.686 8.777 6.455 1.00 . A A . 2 LEU HB2 1 1 6 325 1 1 2 LEU HB3 H 7.552 9.224 4.985 1.00 . A A . 2 LEU HB3 1 1 6 326 1 1 2 LEU HD11 H 3.513 9.191 5.319 1.00 . A A . 2 LEU HD11 1 1 6 327 1 1 2 LEU HD12 H 3.918 10.599 6.300 1.00 . A A . 2 LEU HD12 1 1 6 328 1 1 2 LEU HD13 H 4.542 9.010 6.740 1.00 . A A . 2 LEU HD13 1 1 6 329 1 1 2 LEU HD21 H 5.237 11.959 5.614 1.00 . A A . 2 LEU HD21 1 1 6 330 1 1 2 LEU HD22 H 6.500 11.708 4.410 1.00 . A A . 2 LEU HD22 1 1 6 331 1 1 2 LEU HD23 H 6.792 11.281 6.095 1.00 . A A . 2 LEU HD23 1 1 6 332 1 1 2 LEU HG H 5.249 9.813 4.004 1.00 . A A . 2 LEU HG 1 1 6 333 1 1 2 LEU N N 5.072 6.976 5.411 1.00 . A A . 2 LEU N 1 1 6 334 1 1 2 LEU O O 8.321 6.549 4.043 1.00 . A A . 2 LEU O 1 1 6 335 1 1 3 GLY C C 8.069 3.432 5.923 1.00 . A A . 3 GLY C 1 1 6 336 1 1 3 GLY CA C 8.521 4.858 6.219 1.00 . A A . 3 GLY CA 1 1 6 337 1 1 3 GLY H H 6.708 5.878 6.624 1.00 . A A . 3 GLY H 1 1 6 338 1 1 3 GLY HA2 H 9.360 5.104 5.585 1.00 . A A . 3 GLY HA2 1 1 6 339 1 1 3 GLY HA3 H 8.826 4.923 7.253 1.00 . A A . 3 GLY HA3 1 1 6 340 1 1 3 GLY N N 7.441 5.809 5.978 1.00 . A A . 3 GLY N 1 1 6 341 1 1 3 GLY O O 8.890 2.548 5.681 1.00 . A A . 3 GLY O 1 1 6 342 1 1 4 CYS C C 6.103 1.643 4.177 1.00 . A A . 4 CYS C 1 1 6 343 1 1 4 CYS CA C 6.210 1.889 5.680 1.00 . A A . 4 CYS CA 1 1 6 344 1 1 4 CYS CB C 4.829 1.753 6.325 1.00 . A A . 4 CYS CB 1 1 6 345 1 1 4 CYS H H 6.149 3.956 6.147 1.00 . A A . 4 CYS H 1 1 6 346 1 1 4 CYS HA H 6.867 1.147 6.108 1.00 . A A . 4 CYS HA 1 1 6 347 1 1 4 CYS HB2 H 4.104 1.478 5.574 1.00 . A A . 4 CYS HB2 1 1 6 348 1 1 4 CYS HB3 H 4.863 0.991 7.089 1.00 . A A . 4 CYS HB3 1 1 6 349 1 1 4 CYS N N 6.757 3.214 5.946 1.00 . A A . 4 CYS N 1 1 6 350 1 1 4 CYS O O 5.884 0.514 3.738 1.00 . A A . 4 CYS O 1 1 6 351 1 1 4 CYS SG S 4.354 3.332 7.071 1.00 . A A . 4 CYS SG 1 1 6 352 1 1 5 THR C C 6.350 3.956 1.286 1.00 . A A . 5 THR C 1 1 6 353 1 1 5 THR CA C 6.185 2.589 1.942 1.00 . A A . 5 THR CA 1 1 6 354 1 1 5 THR CB C 4.839 1.985 1.534 1.00 . A A . 5 THR CB 1 1 6 355 1 1 5 THR CG2 C 3.705 2.774 2.188 1.00 . A A . 5 THR CG2 1 1 6 356 1 1 5 THR H H 6.437 3.580 3.799 1.00 . A A . 5 THR H 1 1 6 357 1 1 5 THR HA H 6.976 1.938 1.599 1.00 . A A . 5 THR HA 1 1 6 358 1 1 5 THR HB H 4.792 0.957 1.861 1.00 . A A . 5 THR HB 1 1 6 359 1 1 5 THR HG1 H 3.847 2.420 -0.081 1.00 . A A . 5 THR HG1 1 1 6 360 1 1 5 THR HG21 H 2.929 2.961 1.460 1.00 . A A . 5 THR HG21 1 1 6 361 1 1 5 THR HG22 H 4.086 3.715 2.557 1.00 . A A . 5 THR HG22 1 1 6 362 1 1 5 THR HG23 H 3.296 2.204 3.010 1.00 . A A . 5 THR HG23 1 1 6 363 1 1 5 THR N N 6.263 2.704 3.394 1.00 . A A . 5 THR N 1 1 6 364 1 1 5 THR O O 6.768 3.994 0.141 1.00 . A A . 5 THR O 1 1 6 365 1 1 5 THR OXT O 6.057 4.943 1.939 1.00 . A A . 5 THR OXT 1 1 6 366 1 1 5 THR OG1 O 4.706 2.040 0.121 1.00 . A A . 5 THR OG1 1 1 7 367 1 1 1 DAL C C 4.450 5.862 4.929 1.00 . A A . 1 DAL C 1 1 7 368 1 1 1 DAL CA C 3.219 5.377 5.687 1.00 . A A . 1 DAL CA 1 1 7 369 1 1 1 DAL CB C 3.306 3.865 5.891 1.00 . A A . 1 DAL CB 1 1 7 370 1 1 1 DAL H2 H 3.013 5.336 7.758 1.00 . A A . 1 DAL H2 1 1 7 371 1 1 1 DAL H3 H 2.367 6.726 7.024 1.00 . A A . 1 DAL H3 1 1 7 372 1 1 1 DAL HA H 2.331 5.613 5.121 1.00 . A A . 1 DAL HA 1 1 7 373 1 1 1 DAL HB1 H 3.627 3.396 4.973 1.00 . A A . 1 DAL HB1 1 1 7 374 1 1 1 DAL HB2 H 2.336 3.482 6.172 1.00 . A A . 1 DAL HB2 1 1 7 375 1 1 1 DAL N N 3.157 6.050 7.014 1.00 . A A . 1 DAL N 1 1 7 376 1 1 1 DAL O O 4.839 5.272 3.924 1.00 . A A . 1 DAL O 1 1 7 377 1 1 2 LEU C C 7.406 6.492 4.867 1.00 . A A . 2 LEU C 1 1 7 378 1 1 2 LEU CA C 6.248 7.481 4.773 1.00 . A A . 2 LEU CA 1 1 7 379 1 1 2 LEU CB C 6.656 8.808 5.426 1.00 . A A . 2 LEU CB 1 1 7 380 1 1 2 LEU CD1 C 5.946 8.304 7.774 1.00 . A A . 2 LEU CD1 1 1 7 381 1 1 2 LEU CD2 C 5.860 10.645 6.916 1.00 . A A . 2 LEU CD2 1 1 7 382 1 1 2 LEU CG C 5.673 9.173 6.543 1.00 . A A . 2 LEU CG 1 1 7 383 1 1 2 LEU H H 4.708 7.362 6.225 1.00 . A A . 2 LEU H 1 1 7 384 1 1 2 LEU HA H 6.028 7.660 3.732 1.00 . A A . 2 LEU HA 1 1 7 385 1 1 2 LEU HB2 H 7.650 8.714 5.842 1.00 . A A . 2 LEU HB2 1 1 7 386 1 1 2 LEU HB3 H 6.654 9.589 4.680 1.00 . A A . 2 LEU HB3 1 1 7 387 1 1 2 LEU HD11 H 5.316 8.626 8.589 1.00 . A A . 2 LEU HD11 1 1 7 388 1 1 2 LEU HD12 H 6.982 8.402 8.061 1.00 . A A . 2 LEU HD12 1 1 7 389 1 1 2 LEU HD13 H 5.735 7.271 7.543 1.00 . A A . 2 LEU HD13 1 1 7 390 1 1 2 LEU HD21 H 5.315 10.857 7.825 1.00 . A A . 2 LEU HD21 1 1 7 391 1 1 2 LEU HD22 H 5.485 11.269 6.119 1.00 . A A . 2 LEU HD22 1 1 7 392 1 1 2 LEU HD23 H 6.909 10.847 7.069 1.00 . A A . 2 LEU HD23 1 1 7 393 1 1 2 LEU HG H 4.662 9.012 6.202 1.00 . A A . 2 LEU HG 1 1 7 394 1 1 2 LEU N N 5.060 6.935 5.418 1.00 . A A . 2 LEU N 1 1 7 395 1 1 2 LEU O O 8.177 6.334 3.920 1.00 . A A . 2 LEU O 1 1 7 396 1 1 3 GLY C C 8.052 3.429 6.135 1.00 . A A . 3 GLY C 1 1 7 397 1 1 3 GLY CA C 8.586 4.856 6.217 1.00 . A A . 3 GLY CA 1 1 7 398 1 1 3 GLY H H 6.875 5.993 6.732 1.00 . A A . 3 GLY H 1 1 7 399 1 1 3 GLY HA2 H 9.343 4.996 5.459 1.00 . A A . 3 GLY HA2 1 1 7 400 1 1 3 GLY HA3 H 9.025 5.012 7.191 1.00 . A A . 3 GLY HA3 1 1 7 401 1 1 3 GLY N N 7.519 5.827 6.012 1.00 . A A . 3 GLY N 1 1 7 402 1 1 3 GLY O O 8.780 2.471 6.396 1.00 . A A . 3 GLY O 1 1 7 403 1 1 4 CYS C C 5.698 1.701 4.243 1.00 . A A . 4 CYS C 1 1 7 404 1 1 4 CYS CA C 6.169 1.973 5.669 1.00 . A A . 4 CYS CA 1 1 7 405 1 1 4 CYS CB C 4.984 1.860 6.628 1.00 . A A . 4 CYS CB 1 1 7 406 1 1 4 CYS H H 6.244 4.091 5.580 1.00 . A A . 4 CYS H 1 1 7 407 1 1 4 CYS HA H 6.905 1.231 5.940 1.00 . A A . 4 CYS HA 1 1 7 408 1 1 4 CYS HB2 H 4.150 1.401 6.116 1.00 . A A . 4 CYS HB2 1 1 7 409 1 1 4 CYS HB3 H 5.263 1.252 7.475 1.00 . A A . 4 CYS HB3 1 1 7 410 1 1 4 CYS N N 6.779 3.293 5.775 1.00 . A A . 4 CYS N 1 1 7 411 1 1 4 CYS O O 4.946 0.756 3.999 1.00 . A A . 4 CYS O 1 1 7 412 1 1 4 CYS SG S 4.504 3.508 7.200 1.00 . A A . 4 CYS SG 1 1 7 413 1 1 5 THR C C 6.553 1.231 1.263 1.00 . A A . 5 THR C 1 1 7 414 1 1 5 THR CA C 5.753 2.359 1.908 1.00 . A A . 5 THR CA 1 1 7 415 1 1 5 THR CB C 5.981 3.659 1.131 1.00 . A A . 5 THR CB 1 1 7 416 1 1 5 THR CG2 C 5.298 3.567 -0.234 1.00 . A A . 5 THR CG2 1 1 7 417 1 1 5 THR H H 6.741 3.265 3.551 1.00 . A A . 5 THR H 1 1 7 418 1 1 5 THR HA H 4.703 2.109 1.868 1.00 . A A . 5 THR HA 1 1 7 419 1 1 5 THR HB H 7.039 3.812 0.989 1.00 . A A . 5 THR HB 1 1 7 420 1 1 5 THR HG1 H 4.746 4.411 2.433 1.00 . A A . 5 THR HG1 1 1 7 421 1 1 5 THR HG21 H 4.643 4.415 -0.367 1.00 . A A . 5 THR HG21 1 1 7 422 1 1 5 THR HG22 H 4.721 2.655 -0.288 1.00 . A A . 5 THR HG22 1 1 7 423 1 1 5 THR HG23 H 6.047 3.564 -1.013 1.00 . A A . 5 THR HG23 1 1 7 424 1 1 5 THR N N 6.142 2.530 3.303 1.00 . A A . 5 THR N 1 1 7 425 1 1 5 THR O O 7.752 1.396 1.111 1.00 . A A . 5 THR O 1 1 7 426 1 1 5 THR OXT O 5.955 0.221 0.933 1.00 . A A . 5 THR OXT 1 1 7 427 1 1 5 THR OG1 O 5.438 4.750 1.861 1.00 . A A . 5 THR OG1 1 1 8 428 1 1 1 DAL C C 4.418 5.902 4.880 1.00 . A A . 1 DAL C 1 1 8 429 1 1 1 DAL CA C 3.187 5.363 5.600 1.00 . A A . 1 DAL CA 1 1 8 430 1 1 1 DAL CB C 3.327 3.857 5.823 1.00 . A A . 1 DAL CB 1 1 8 431 1 1 1 DAL H2 H 3.537 5.490 7.649 1.00 . A A . 1 DAL H2 1 1 8 432 1 1 1 DAL H3 H 2.039 6.129 7.161 1.00 . A A . 1 DAL H3 1 1 8 433 1 1 1 DAL HA H 2.308 5.557 5.002 1.00 . A A . 1 DAL HA 1 1 8 434 1 1 1 DAL HB1 H 3.718 3.395 4.928 1.00 . A A . 1 DAL HB1 1 1 8 435 1 1 1 DAL HB2 H 2.360 3.434 6.052 1.00 . A A . 1 DAL HB2 1 1 8 436 1 1 1 DAL N N 3.047 6.046 6.918 1.00 . A A . 1 DAL N 1 1 8 437 1 1 1 DAL O O 4.788 5.413 3.813 1.00 . A A . 1 DAL O 1 1 8 438 1 1 2 LEU C C 7.395 6.514 4.878 1.00 . A A . 2 LEU C 1 1 8 439 1 1 2 LEU CA C 6.240 7.508 4.876 1.00 . A A . 2 LEU CA 1 1 8 440 1 1 2 LEU CB C 6.641 8.764 5.654 1.00 . A A . 2 LEU CB 1 1 8 441 1 1 2 LEU CD1 C 8.004 8.610 7.746 1.00 . A A . 2 LEU CD1 1 1 8 442 1 1 2 LEU CD2 C 5.660 9.467 7.845 1.00 . A A . 2 LEU CD2 1 1 8 443 1 1 2 LEU CG C 6.598 8.472 7.157 1.00 . A A . 2 LEU CG 1 1 8 444 1 1 2 LEU H H 4.709 7.261 6.321 1.00 . A A . 2 LEU H 1 1 8 445 1 1 2 LEU HA H 6.019 7.787 3.856 1.00 . A A . 2 LEU HA 1 1 8 446 1 1 2 LEU HB2 H 7.642 9.056 5.371 1.00 . A A . 2 LEU HB2 1 1 8 447 1 1 2 LEU HB3 H 5.954 9.564 5.425 1.00 . A A . 2 LEU HB3 1 1 8 448 1 1 2 LEU HD11 H 7.944 8.609 8.824 1.00 . A A . 2 LEU HD11 1 1 8 449 1 1 2 LEU HD12 H 8.444 9.538 7.411 1.00 . A A . 2 LEU HD12 1 1 8 450 1 1 2 LEU HD13 H 8.615 7.782 7.418 1.00 . A A . 2 LEU HD13 1 1 8 451 1 1 2 LEU HD21 H 6.038 10.470 7.710 1.00 . A A . 2 LEU HD21 1 1 8 452 1 1 2 LEU HD22 H 5.607 9.242 8.900 1.00 . A A . 2 LEU HD22 1 1 8 453 1 1 2 LEU HD23 H 4.675 9.393 7.411 1.00 . A A . 2 LEU HD23 1 1 8 454 1 1 2 LEU HG H 6.239 7.465 7.319 1.00 . A A . 2 LEU HG 1 1 8 455 1 1 2 LEU N N 5.049 6.911 5.471 1.00 . A A . 2 LEU N 1 1 8 456 1 1 2 LEU O O 8.115 6.382 3.888 1.00 . A A . 2 LEU O 1 1 8 457 1 1 3 GLY C C 8.099 3.413 6.013 1.00 . A A . 3 GLY C 1 1 8 458 1 1 3 GLY CA C 8.640 4.836 6.118 1.00 . A A . 3 GLY CA 1 1 8 459 1 1 3 GLY H H 6.963 5.963 6.753 1.00 . A A . 3 GLY H 1 1 8 460 1 1 3 GLY HA2 H 9.362 5.000 5.330 1.00 . A A . 3 GLY HA2 1 1 8 461 1 1 3 GLY HA3 H 9.125 4.958 7.074 1.00 . A A . 3 GLY HA3 1 1 8 462 1 1 3 GLY N N 7.567 5.816 5.996 1.00 . A A . 3 GLY N 1 1 8 463 1 1 3 GLY O O 8.858 2.445 6.068 1.00 . A A . 3 GLY O 1 1 8 464 1 1 4 CYS C C 5.679 1.732 4.325 1.00 . A A . 4 CYS C 1 1 8 465 1 1 4 CYS CA C 6.157 1.980 5.752 1.00 . A A . 4 CYS CA 1 1 8 466 1 1 4 CYS CB C 4.969 1.887 6.712 1.00 . A A . 4 CYS CB 1 1 8 467 1 1 4 CYS H H 6.227 4.098 5.825 1.00 . A A . 4 CYS H 1 1 8 468 1 1 4 CYS HA H 6.879 1.222 6.016 1.00 . A A . 4 CYS HA 1 1 8 469 1 1 4 CYS HB2 H 4.147 1.388 6.219 1.00 . A A . 4 CYS HB2 1 1 8 470 1 1 4 CYS HB3 H 5.257 1.325 7.588 1.00 . A A . 4 CYS HB3 1 1 8 471 1 1 4 CYS N N 6.784 3.292 5.862 1.00 . A A . 4 CYS N 1 1 8 472 1 1 4 CYS O O 5.660 2.645 3.499 1.00 . A A . 4 CYS O 1 1 8 473 1 1 4 CYS SG S 4.458 3.552 7.202 1.00 . A A . 4 CYS SG 1 1 8 474 1 1 5 THR C C 3.350 0.518 2.550 1.00 . A A . 5 THR C 1 1 8 475 1 1 5 THR CA C 4.817 0.135 2.709 1.00 . A A . 5 THR CA 1 1 8 476 1 1 5 THR CB C 4.984 -1.368 2.476 1.00 . A A . 5 THR CB 1 1 8 477 1 1 5 THR CG2 C 6.459 -1.748 2.617 1.00 . A A . 5 THR CG2 1 1 8 478 1 1 5 THR H H 5.331 -0.196 4.739 1.00 . A A . 5 THR H 1 1 8 479 1 1 5 THR HA H 5.401 0.669 1.975 1.00 . A A . 5 THR HA 1 1 8 480 1 1 5 THR HB H 4.647 -1.618 1.483 1.00 . A A . 5 THR HB 1 1 8 481 1 1 5 THR HG1 H 4.741 -2.177 4.229 1.00 . A A . 5 THR HG1 1 1 8 482 1 1 5 THR HG21 H 6.537 -2.794 2.879 1.00 . A A . 5 THR HG21 1 1 8 483 1 1 5 THR HG22 H 6.912 -1.149 3.392 1.00 . A A . 5 THR HG22 1 1 8 484 1 1 5 THR HG23 H 6.968 -1.572 1.681 1.00 . A A . 5 THR HG23 1 1 8 485 1 1 5 THR N N 5.295 0.490 4.041 1.00 . A A . 5 THR N 1 1 8 486 1 1 5 THR O O 2.988 0.964 1.473 1.00 . A A . 5 THR O 1 1 8 487 1 1 5 THR OXT O 2.610 0.360 3.506 1.00 . A A . 5 THR OXT 1 1 8 488 1 1 5 THR OG1 O 4.214 -2.083 3.432 1.00 . A A . 5 THR OG1 1 1 9 489 1 1 1 DAL C C 4.211 6.157 4.748 1.00 . A A . 1 DAL C 1 1 9 490 1 1 1 DAL CA C 2.993 5.445 5.325 1.00 . A A . 1 DAL CA 1 1 9 491 1 1 1 DAL CB C 3.327 3.975 5.586 1.00 . A A . 1 DAL CB 1 1 9 492 1 1 1 DAL H2 H 3.449 6.320 7.159 1.00 . A A . 1 DAL H2 1 1 9 493 1 1 1 DAL H3 H 1.989 5.452 7.149 1.00 . A A . 1 DAL H3 1 1 9 494 1 1 1 DAL HA H 2.175 5.507 4.623 1.00 . A A . 1 DAL HA 1 1 9 495 1 1 1 DAL HB1 H 3.783 3.546 4.705 1.00 . A A . 1 DAL HB1 1 1 9 496 1 1 1 DAL HB2 H 2.421 3.435 5.822 1.00 . A A . 1 DAL HB2 1 1 9 497 1 1 1 DAL N N 2.596 6.096 6.606 1.00 . A A . 1 DAL N 1 1 9 498 1 1 1 DAL O O 4.428 6.150 3.536 1.00 . A A . 1 DAL O 1 1 9 499 1 1 2 LEU C C 7.329 6.477 4.918 1.00 . A A . 2 LEU C 1 1 9 500 1 1 2 LEU CA C 6.204 7.471 5.181 1.00 . A A . 2 LEU CA 1 1 9 501 1 1 2 LEU CB C 6.648 8.479 6.246 1.00 . A A . 2 LEU CB 1 1 9 502 1 1 2 LEU CD1 C 5.870 9.928 8.128 1.00 . A A . 2 LEU CD1 1 1 9 503 1 1 2 LEU CD2 C 4.622 9.921 5.961 1.00 . A A . 2 LEU CD2 1 1 9 504 1 1 2 LEU CG C 5.419 9.062 6.948 1.00 . A A . 2 LEU CG 1 1 9 505 1 1 2 LEU H H 4.788 6.735 6.576 1.00 . A A . 2 LEU H 1 1 9 506 1 1 2 LEU HA H 5.983 8.001 4.267 1.00 . A A . 2 LEU HA 1 1 9 507 1 1 2 LEU HB2 H 7.276 7.981 6.972 1.00 . A A . 2 LEU HB2 1 1 9 508 1 1 2 LEU HB3 H 7.204 9.276 5.776 1.00 . A A . 2 LEU HB3 1 1 9 509 1 1 2 LEU HD11 H 6.265 10.863 7.758 1.00 . A A . 2 LEU HD11 1 1 9 510 1 1 2 LEU HD12 H 6.634 9.408 8.684 1.00 . A A . 2 LEU HD12 1 1 9 511 1 1 2 LEU HD13 H 5.026 10.125 8.773 1.00 . A A . 2 LEU HD13 1 1 9 512 1 1 2 LEU HD21 H 5.077 9.864 4.983 1.00 . A A . 2 LEU HD21 1 1 9 513 1 1 2 LEU HD22 H 4.619 10.948 6.296 1.00 . A A . 2 LEU HD22 1 1 9 514 1 1 2 LEU HD23 H 3.606 9.558 5.907 1.00 . A A . 2 LEU HD23 1 1 9 515 1 1 2 LEU HG H 4.797 8.258 7.312 1.00 . A A . 2 LEU HG 1 1 9 516 1 1 2 LEU N N 5.006 6.766 5.621 1.00 . A A . 2 LEU N 1 1 9 517 1 1 2 LEU O O 7.807 6.348 3.790 1.00 . A A . 2 LEU O 1 1 9 518 1 1 3 GLY C C 8.220 3.369 5.848 1.00 . A A . 3 GLY C 1 1 9 519 1 1 3 GLY CA C 8.801 4.779 5.836 1.00 . A A . 3 GLY CA 1 1 9 520 1 1 3 GLY H H 7.316 5.910 6.836 1.00 . A A . 3 GLY H 1 1 9 521 1 1 3 GLY HA2 H 9.329 4.941 4.907 1.00 . A A . 3 GLY HA2 1 1 9 522 1 1 3 GLY HA3 H 9.489 4.884 6.661 1.00 . A A . 3 GLY HA3 1 1 9 523 1 1 3 GLY N N 7.739 5.769 5.964 1.00 . A A . 3 GLY N 1 1 9 524 1 1 3 GLY O O 8.951 2.384 5.746 1.00 . A A . 3 GLY O 1 1 9 525 1 1 4 CYS C C 5.956 1.497 4.585 1.00 . A A . 4 CYS C 1 1 9 526 1 1 4 CYS CA C 6.225 1.992 6.003 1.00 . A A . 4 CYS CA 1 1 9 527 1 1 4 CYS CB C 4.903 2.107 6.765 1.00 . A A . 4 CYS CB 1 1 9 528 1 1 4 CYS H H 6.370 4.105 6.055 1.00 . A A . 4 CYS H 1 1 9 529 1 1 4 CYS HA H 6.855 1.278 6.508 1.00 . A A . 4 CYS HA 1 1 9 530 1 1 4 CYS HB2 H 4.121 1.612 6.208 1.00 . A A . 4 CYS HB2 1 1 9 531 1 1 4 CYS HB3 H 5.003 1.642 7.735 1.00 . A A . 4 CYS HB3 1 1 9 532 1 1 4 CYS N N 6.899 3.283 5.976 1.00 . A A . 4 CYS N 1 1 9 533 1 1 4 CYS O O 5.548 2.266 3.716 1.00 . A A . 4 CYS O 1 1 9 534 1 1 4 CYS SG S 4.478 3.854 6.976 1.00 . A A . 4 CYS SG 1 1 9 535 1 1 5 THR C C 4.494 -0.298 2.661 1.00 . A A . 5 THR C 1 1 9 536 1 1 5 THR CA C 5.968 -0.380 3.045 1.00 . A A . 5 THR CA 1 1 9 537 1 1 5 THR CB C 6.419 -1.844 3.046 1.00 . A A . 5 THR CB 1 1 9 538 1 1 5 THR CG2 C 7.669 -1.999 2.178 1.00 . A A . 5 THR CG2 1 1 9 539 1 1 5 THR H H 6.513 -0.358 5.092 1.00 . A A . 5 THR H 1 1 9 540 1 1 5 THR HA H 6.550 0.164 2.316 1.00 . A A . 5 THR HA 1 1 9 541 1 1 5 THR HB H 5.631 -2.464 2.650 1.00 . A A . 5 THR HB 1 1 9 542 1 1 5 THR HG1 H 5.998 -1.942 4.943 1.00 . A A . 5 THR HG1 1 1 9 543 1 1 5 THR HG21 H 7.962 -3.037 2.151 1.00 . A A . 5 THR HG21 1 1 9 544 1 1 5 THR HG22 H 8.471 -1.408 2.595 1.00 . A A . 5 THR HG22 1 1 9 545 1 1 5 THR HG23 H 7.455 -1.658 1.176 1.00 . A A . 5 THR HG23 1 1 9 546 1 1 5 THR N N 6.188 0.208 4.361 1.00 . A A . 5 THR N 1 1 9 547 1 1 5 THR O O 3.737 -1.141 3.112 1.00 . A A . 5 THR O 1 1 9 548 1 1 5 THR OXT O 4.145 0.607 1.921 1.00 . A A . 5 THR OXT 1 1 9 549 1 1 5 THR OG1 O 6.713 -2.244 4.378 1.00 . A A . 5 THR OG1 1 1 10 550 1 1 1 DAL C C 4.461 5.904 4.898 1.00 . A A . 1 DAL C 1 1 10 551 1 1 1 DAL CA C 3.220 5.381 5.616 1.00 . A A . 1 DAL CA 1 1 10 552 1 1 1 DAL CB C 3.293 3.859 5.741 1.00 . A A . 1 DAL CB 1 1 10 553 1 1 1 DAL H2 H 2.318 5.605 7.478 1.00 . A A . 1 DAL H2 1 1 10 554 1 1 1 DAL H3 H 3.055 7.019 6.890 1.00 . A A . 1 DAL H3 1 1 10 555 1 1 1 DAL HA H 2.340 5.654 5.053 1.00 . A A . 1 DAL HA 1 1 10 556 1 1 1 DAL HB1 H 3.693 3.441 4.828 1.00 . A A . 1 DAL HB1 1 1 10 557 1 1 1 DAL HB2 H 2.303 3.465 5.914 1.00 . A A . 1 DAL HB2 1 1 10 558 1 1 1 DAL N N 3.145 5.987 6.975 1.00 . A A . 1 DAL N 1 1 10 559 1 1 1 DAL O O 4.870 5.364 3.871 1.00 . A A . 1 DAL O 1 1 10 560 1 1 2 LEU C C 7.414 6.577 4.897 1.00 . A A . 2 LEU C 1 1 10 561 1 1 2 LEU CA C 6.243 7.553 4.848 1.00 . A A . 2 LEU CA 1 1 10 562 1 1 2 LEU CB C 6.614 8.837 5.593 1.00 . A A . 2 LEU CB 1 1 10 563 1 1 2 LEU CD1 C 5.675 11.073 6.190 1.00 . A A . 2 LEU CD1 1 1 10 564 1 1 2 LEU CD2 C 6.265 10.558 3.818 1.00 . A A . 2 LEU CD2 1 1 10 565 1 1 2 LEU CG C 5.713 9.979 5.122 1.00 . A A . 2 LEU CG 1 1 10 566 1 1 2 LEU H H 4.678 7.350 6.263 1.00 . A A . 2 LEU H 1 1 10 567 1 1 2 LEU HA H 6.033 7.798 3.818 1.00 . A A . 2 LEU HA 1 1 10 568 1 1 2 LEU HB2 H 6.483 8.687 6.655 1.00 . A A . 2 LEU HB2 1 1 10 569 1 1 2 LEU HB3 H 7.644 9.086 5.388 1.00 . A A . 2 LEU HB3 1 1 10 570 1 1 2 LEU HD11 H 4.897 11.783 5.952 1.00 . A A . 2 LEU HD11 1 1 10 571 1 1 2 LEU HD12 H 6.629 11.580 6.220 1.00 . A A . 2 LEU HD12 1 1 10 572 1 1 2 LEU HD13 H 5.474 10.629 7.154 1.00 . A A . 2 LEU HD13 1 1 10 573 1 1 2 LEU HD21 H 6.066 9.872 3.007 1.00 . A A . 2 LEU HD21 1 1 10 574 1 1 2 LEU HD22 H 7.331 10.704 3.912 1.00 . A A . 2 LEU HD22 1 1 10 575 1 1 2 LEU HD23 H 5.788 11.505 3.613 1.00 . A A . 2 LEU HD23 1 1 10 576 1 1 2 LEU HG H 4.713 9.603 4.958 1.00 . A A . 2 LEU HG 1 1 10 577 1 1 2 LEU N N 5.051 6.962 5.445 1.00 . A A . 2 LEU N 1 1 10 578 1 1 2 LEU O O 8.227 6.523 3.975 1.00 . A A . 2 LEU O 1 1 10 579 1 1 3 GLY C C 8.081 3.423 5.863 1.00 . A A . 3 GLY C 1 1 10 580 1 1 3 GLY CA C 8.576 4.840 6.134 1.00 . A A . 3 GLY CA 1 1 10 581 1 1 3 GLY H H 6.821 5.896 6.684 1.00 . A A . 3 GLY H 1 1 10 582 1 1 3 GLY HA2 H 9.369 5.080 5.440 1.00 . A A . 3 GLY HA2 1 1 10 583 1 1 3 GLY HA3 H 8.958 4.893 7.143 1.00 . A A . 3 GLY HA3 1 1 10 584 1 1 3 GLY N N 7.496 5.809 5.979 1.00 . A A . 3 GLY N 1 1 10 585 1 1 3 GLY O O 8.869 2.530 5.554 1.00 . A A . 3 GLY O 1 1 10 586 1 1 4 CYS C C 5.930 1.695 4.259 1.00 . A A . 4 CYS C 1 1 10 587 1 1 4 CYS CA C 6.184 1.912 5.748 1.00 . A A . 4 CYS CA 1 1 10 588 1 1 4 CYS CB C 4.867 1.788 6.516 1.00 . A A . 4 CYS CB 1 1 10 589 1 1 4 CYS H H 6.193 3.975 6.232 1.00 . A A . 4 CYS H 1 1 10 590 1 1 4 CYS HA H 6.866 1.153 6.102 1.00 . A A . 4 CYS HA 1 1 10 591 1 1 4 CYS HB2 H 4.101 1.400 5.861 1.00 . A A . 4 CYS HB2 1 1 10 592 1 1 4 CYS HB3 H 4.999 1.116 7.351 1.00 . A A . 4 CYS HB3 1 1 10 593 1 1 4 CYS N N 6.773 3.226 5.983 1.00 . A A . 4 CYS N 1 1 10 594 1 1 4 CYS O O 5.353 2.551 3.587 1.00 . A A . 4 CYS O 1 1 10 595 1 1 4 CYS SG S 4.369 3.417 7.128 1.00 . A A . 4 CYS SG 1 1 10 596 1 1 5 THR C C 6.472 -1.247 2.080 1.00 . A A . 5 THR C 1 1 10 597 1 1 5 THR CA C 6.176 0.226 2.339 1.00 . A A . 5 THR CA 1 1 10 598 1 1 5 THR CB C 7.098 1.096 1.479 1.00 . A A . 5 THR CB 1 1 10 599 1 1 5 THR CG2 C 6.270 1.854 0.438 1.00 . A A . 5 THR CG2 1 1 10 600 1 1 5 THR H H 6.814 -0.099 4.335 1.00 . A A . 5 THR H 1 1 10 601 1 1 5 THR HA H 5.150 0.430 2.068 1.00 . A A . 5 THR HA 1 1 10 602 1 1 5 THR HB H 7.815 0.468 0.972 1.00 . A A . 5 THR HB 1 1 10 603 1 1 5 THR HG1 H 8.666 2.145 1.953 1.00 . A A . 5 THR HG1 1 1 10 604 1 1 5 THR HG21 H 5.794 2.703 0.906 1.00 . A A . 5 THR HG21 1 1 10 605 1 1 5 THR HG22 H 5.515 1.197 0.031 1.00 . A A . 5 THR HG22 1 1 10 606 1 1 5 THR HG23 H 6.916 2.195 -0.357 1.00 . A A . 5 THR HG23 1 1 10 607 1 1 5 THR N N 6.362 0.545 3.751 1.00 . A A . 5 THR N 1 1 10 608 1 1 5 THR O O 5.530 -1.996 1.884 1.00 . A A . 5 THR O 1 1 10 609 1 1 5 THR OXT O 7.639 -1.605 2.081 1.00 . A A . 5 THR OXT 1 1 10 610 1 1 5 THR OG1 O 7.782 2.023 2.309 1.00 . A A . 5 THR OG1 1 1 11 611 1 1 1 DAL C C 4.273 6.032 4.798 1.00 . A A . 1 DAL C 1 1 11 612 1 1 1 DAL CA C 3.049 5.432 5.482 1.00 . A A . 1 DAL CA 1 1 11 613 1 1 1 DAL CB C 3.268 3.937 5.725 1.00 . A A . 1 DAL CB 1 1 11 614 1 1 1 DAL H2 H 2.355 5.462 7.445 1.00 . A A . 1 DAL H2 1 1 11 615 1 1 1 DAL H3 H 2.228 6.954 6.641 1.00 . A A . 1 DAL H3 1 1 11 616 1 1 1 DAL HA H 2.184 5.570 4.852 1.00 . A A . 1 DAL HA 1 1 11 617 1 1 1 DAL HB1 H 3.638 3.475 4.821 1.00 . A A . 1 DAL HB1 1 1 11 618 1 1 1 DAL HB2 H 2.333 3.477 6.008 1.00 . A A . 1 DAL HB2 1 1 11 619 1 1 1 DAL N N 2.826 6.116 6.786 1.00 . A A . 1 DAL N 1 1 11 620 1 1 1 DAL O O 4.527 5.777 3.622 1.00 . A A . 1 DAL O 1 1 11 621 1 1 2 LEU C C 7.362 6.462 4.889 1.00 . A A . 2 LEU C 1 1 11 622 1 1 2 LEU CA C 6.221 7.468 4.998 1.00 . A A . 2 LEU CA 1 1 11 623 1 1 2 LEU CB C 6.648 8.634 5.894 1.00 . A A . 2 LEU CB 1 1 11 624 1 1 2 LEU CD1 C 5.887 10.743 7.000 1.00 . A A . 2 LEU CD1 1 1 11 625 1 1 2 LEU CD2 C 5.064 10.163 4.714 1.00 . A A . 2 LEU CD2 1 1 11 626 1 1 2 LEU CG C 5.472 9.596 6.075 1.00 . A A . 2 LEU CG 1 1 11 627 1 1 2 LEU H H 4.774 7.002 6.476 1.00 . A A . 2 LEU H 1 1 11 628 1 1 2 LEU HA H 5.996 7.851 4.014 1.00 . A A . 2 LEU HA 1 1 11 629 1 1 2 LEU HB2 H 6.955 8.254 6.857 1.00 . A A . 2 LEU HB2 1 1 11 630 1 1 2 LEU HB3 H 7.472 9.158 5.434 1.00 . A A . 2 LEU HB3 1 1 11 631 1 1 2 LEU HD11 H 5.056 11.422 7.125 1.00 . A A . 2 LEU HD11 1 1 11 632 1 1 2 LEU HD12 H 6.722 11.271 6.565 1.00 . A A . 2 LEU HD12 1 1 11 633 1 1 2 LEU HD13 H 6.175 10.344 7.962 1.00 . A A . 2 LEU HD13 1 1 11 634 1 1 2 LEU HD21 H 5.948 10.350 4.122 1.00 . A A . 2 LEU HD21 1 1 11 635 1 1 2 LEU HD22 H 4.524 11.088 4.857 1.00 . A A . 2 LEU HD22 1 1 11 636 1 1 2 LEU HD23 H 4.432 9.452 4.202 1.00 . A A . 2 LEU HD23 1 1 11 637 1 1 2 LEU HG H 4.638 9.066 6.512 1.00 . A A . 2 LEU HG 1 1 11 638 1 1 2 LEU N N 5.026 6.834 5.544 1.00 . A A . 2 LEU N 1 1 11 639 1 1 2 LEU O O 7.953 6.293 3.822 1.00 . A A . 2 LEU O 1 1 11 640 1 1 3 GLY C C 8.183 3.391 5.950 1.00 . A A . 3 GLY C 1 1 11 641 1 1 3 GLY CA C 8.742 4.808 6.011 1.00 . A A . 3 GLY CA 1 1 11 642 1 1 3 GLY H H 7.164 5.970 6.820 1.00 . A A . 3 GLY H 1 1 11 643 1 1 3 GLY HA2 H 9.386 4.973 5.159 1.00 . A A . 3 GLY HA2 1 1 11 644 1 1 3 GLY HA3 H 9.317 4.922 6.918 1.00 . A A . 3 GLY HA3 1 1 11 645 1 1 3 GLY N N 7.667 5.795 5.998 1.00 . A A . 3 GLY N 1 1 11 646 1 1 3 GLY O O 8.935 2.417 5.937 1.00 . A A . 3 GLY O 1 1 11 647 1 1 4 CYS C C 5.894 1.602 4.410 1.00 . A A . 4 CYS C 1 1 11 648 1 1 4 CYS CA C 6.211 1.979 5.854 1.00 . A A . 4 CYS CA 1 1 11 649 1 1 4 CYS CB C 4.919 2.000 6.673 1.00 . A A . 4 CYS CB 1 1 11 650 1 1 4 CYS H H 6.309 4.094 5.926 1.00 . A A . 4 CYS H 1 1 11 651 1 1 4 CYS HA H 6.875 1.239 6.272 1.00 . A A . 4 CYS HA 1 1 11 652 1 1 4 CYS HB2 H 4.124 1.541 6.104 1.00 . A A . 4 CYS HB2 1 1 11 653 1 1 4 CYS HB3 H 5.066 1.453 7.593 1.00 . A A . 4 CYS HB3 1 1 11 654 1 1 4 CYS N N 6.859 3.284 5.913 1.00 . A A . 4 CYS N 1 1 11 655 1 1 4 CYS O O 5.440 0.491 4.135 1.00 . A A . 4 CYS O 1 1 11 656 1 1 4 CYS SG S 4.476 3.713 7.055 1.00 . A A . 4 CYS SG 1 1 11 657 1 1 5 THR C C 6.294 3.491 1.243 1.00 . A A . 5 THR C 1 1 11 658 1 1 5 THR CA C 5.876 2.287 2.081 1.00 . A A . 5 THR CA 1 1 11 659 1 1 5 THR CB C 4.388 2.005 1.866 1.00 . A A . 5 THR CB 1 1 11 660 1 1 5 THR CG2 C 4.222 0.916 0.804 1.00 . A A . 5 THR CG2 1 1 11 661 1 1 5 THR H H 6.502 3.398 3.773 1.00 . A A . 5 THR H 1 1 11 662 1 1 5 THR HA H 6.444 1.425 1.763 1.00 . A A . 5 THR HA 1 1 11 663 1 1 5 THR HB H 3.894 2.904 1.532 1.00 . A A . 5 THR HB 1 1 11 664 1 1 5 THR HG1 H 3.164 2.228 3.361 1.00 . A A . 5 THR HG1 1 1 11 665 1 1 5 THR HG21 H 4.409 -0.052 1.248 1.00 . A A . 5 THR HG21 1 1 11 666 1 1 5 THR HG22 H 4.924 1.085 0.002 1.00 . A A . 5 THR HG22 1 1 11 667 1 1 5 THR HG23 H 3.215 0.944 0.414 1.00 . A A . 5 THR HG23 1 1 11 668 1 1 5 THR N N 6.139 2.532 3.494 1.00 . A A . 5 THR N 1 1 11 669 1 1 5 THR O O 6.308 4.586 1.781 1.00 . A A . 5 THR O 1 1 11 670 1 1 5 THR OXT O 6.595 3.301 0.075 1.00 . A A . 5 THR OXT 1 1 11 671 1 1 5 THR OG1 O 3.808 1.570 3.088 1.00 . A A . 5 THR OG1 1 1 12 672 1 1 1 DAL C C 4.776 5.770 5.209 1.00 . A A . 1 DAL C 1 1 12 673 1 1 1 DAL CA C 3.447 5.364 5.839 1.00 . A A . 1 DAL CA 1 1 12 674 1 1 1 DAL CB C 3.276 3.846 5.758 1.00 . A A . 1 DAL CB 1 1 12 675 1 1 1 DAL H2 H 3.708 6.788 7.334 1.00 . A A . 1 DAL H2 1 1 12 676 1 1 1 DAL H3 H 4.090 5.203 7.812 1.00 . A A . 1 DAL H3 1 1 12 677 1 1 1 DAL HA H 2.638 5.845 5.309 1.00 . A A . 1 DAL HA 1 1 12 678 1 1 1 DAL HB1 H 3.611 3.499 4.792 1.00 . A A . 1 DAL HB1 1 1 12 679 1 1 1 DAL HB2 H 2.234 3.594 5.890 1.00 . A A . 1 DAL HB2 1 1 12 680 1 1 1 DAL N N 3.426 5.788 7.266 1.00 . A A . 1 DAL N 1 1 12 681 1 1 1 DAL O O 5.549 4.919 4.766 1.00 . A A . 1 DAL O 1 1 12 682 1 1 2 LEU C C 7.434 6.641 4.913 1.00 . A A . 2 LEU C 1 1 12 683 1 1 2 LEU CA C 6.274 7.578 4.595 1.00 . A A . 2 LEU CA 1 1 12 684 1 1 2 LEU CB C 6.575 8.973 5.148 1.00 . A A . 2 LEU CB 1 1 12 685 1 1 2 LEU CD1 C 7.946 10.902 4.346 1.00 . A A . 2 LEU CD1 1 1 12 686 1 1 2 LEU CD2 C 8.970 9.171 5.828 1.00 . A A . 2 LEU CD2 1 1 12 687 1 1 2 LEU CG C 7.969 9.412 4.696 1.00 . A A . 2 LEU CG 1 1 12 688 1 1 2 LEU H H 4.381 7.704 5.541 1.00 . A A . 2 LEU H 1 1 12 689 1 1 2 LEU HA H 6.160 7.645 3.524 1.00 . A A . 2 LEU HA 1 1 12 690 1 1 2 LEU HB2 H 5.839 9.673 4.778 1.00 . A A . 2 LEU HB2 1 1 12 691 1 1 2 LEU HB3 H 6.540 8.949 6.226 1.00 . A A . 2 LEU HB3 1 1 12 692 1 1 2 LEU HD11 H 8.945 11.228 4.095 1.00 . A A . 2 LEU HD11 1 1 12 693 1 1 2 LEU HD12 H 7.587 11.466 5.194 1.00 . A A . 2 LEU HD12 1 1 12 694 1 1 2 LEU HD13 H 7.291 11.064 3.503 1.00 . A A . 2 LEU HD13 1 1 12 695 1 1 2 LEU HD21 H 8.612 9.644 6.731 1.00 . A A . 2 LEU HD21 1 1 12 696 1 1 2 LEU HD22 H 9.928 9.590 5.557 1.00 . A A . 2 LEU HD22 1 1 12 697 1 1 2 LEU HD23 H 9.075 8.109 5.995 1.00 . A A . 2 LEU HD23 1 1 12 698 1 1 2 LEU HG H 8.261 8.844 3.826 1.00 . A A . 2 LEU HG 1 1 12 699 1 1 2 LEU N N 5.034 7.073 5.173 1.00 . A A . 2 LEU N 1 1 12 700 1 1 2 LEU O O 8.456 6.646 4.225 1.00 . A A . 2 LEU O 1 1 12 701 1 1 3 GLY C C 7.951 3.472 5.956 1.00 . A A . 3 GLY C 1 1 12 702 1 1 3 GLY CA C 8.312 4.899 6.359 1.00 . A A . 3 GLY CA 1 1 12 703 1 1 3 GLY H H 6.436 5.876 6.470 1.00 . A A . 3 GLY H 1 1 12 704 1 1 3 GLY HA2 H 9.242 5.178 5.884 1.00 . A A . 3 GLY HA2 1 1 12 705 1 1 3 GLY HA3 H 8.434 4.940 7.431 1.00 . A A . 3 GLY HA3 1 1 12 706 1 1 3 GLY N N 7.270 5.837 5.958 1.00 . A A . 3 GLY N 1 1 12 707 1 1 3 GLY O O 8.829 2.653 5.685 1.00 . A A . 3 GLY O 1 1 12 708 1 1 4 CYS C C 6.175 1.678 4.037 1.00 . A A . 4 CYS C 1 1 12 709 1 1 4 CYS CA C 6.191 1.846 5.554 1.00 . A A . 4 CYS CA 1 1 12 710 1 1 4 CYS CB C 4.786 1.608 6.114 1.00 . A A . 4 CYS CB 1 1 12 711 1 1 4 CYS H H 5.998 3.872 6.150 1.00 . A A . 4 CYS H 1 1 12 712 1 1 4 CYS HA H 6.862 1.116 5.978 1.00 . A A . 4 CYS HA 1 1 12 713 1 1 4 CYS HB2 H 4.097 1.435 5.301 1.00 . A A . 4 CYS HB2 1 1 12 714 1 1 4 CYS HB3 H 4.801 0.743 6.761 1.00 . A A . 4 CYS HB3 1 1 12 715 1 1 4 CYS N N 6.654 3.180 5.922 1.00 . A A . 4 CYS N 1 1 12 716 1 1 4 CYS O O 6.796 0.760 3.499 1.00 . A A . 4 CYS O 1 1 12 717 1 1 4 CYS SG S 4.259 3.059 7.059 1.00 . A A . 4 CYS SG 1 1 12 718 1 1 5 THR C C 6.165 3.642 1.262 1.00 . A A . 5 THR C 1 1 12 719 1 1 5 THR CA C 5.376 2.503 1.899 1.00 . A A . 5 THR CA 1 1 12 720 1 1 5 THR CB C 3.912 2.583 1.459 1.00 . A A . 5 THR CB 1 1 12 721 1 1 5 THR CG2 C 3.255 3.818 2.080 1.00 . A A . 5 THR CG2 1 1 12 722 1 1 5 THR H H 4.989 3.277 3.834 1.00 . A A . 5 THR H 1 1 12 723 1 1 5 THR HA H 5.788 1.562 1.564 1.00 . A A . 5 THR HA 1 1 12 724 1 1 5 THR HB H 3.388 1.699 1.786 1.00 . A A . 5 THR HB 1 1 12 725 1 1 5 THR HG1 H 4.375 1.958 -0.323 1.00 . A A . 5 THR HG1 1 1 12 726 1 1 5 THR HG21 H 3.997 4.388 2.620 1.00 . A A . 5 THR HG21 1 1 12 727 1 1 5 THR HG22 H 2.477 3.508 2.760 1.00 . A A . 5 THR HG22 1 1 12 728 1 1 5 THR HG23 H 2.828 4.430 1.299 1.00 . A A . 5 THR HG23 1 1 12 729 1 1 5 THR N N 5.464 2.567 3.353 1.00 . A A . 5 THR N 1 1 12 730 1 1 5 THR O O 6.746 3.419 0.212 1.00 . A A . 5 THR O 1 1 12 731 1 1 5 THR OXT O 6.176 4.720 1.833 1.00 . A A . 5 THR OXT 1 1 12 732 1 1 5 THR OG1 O 3.850 2.674 0.042 1.00 . A A . 5 THR OG1 1 1 13 733 1 1 1 DAL C C 4.413 6.012 4.784 1.00 . A A . 1 DAL C 1 1 13 734 1 1 1 DAL CA C 3.070 5.392 5.150 1.00 . A A . 1 DAL CA 1 1 13 735 1 1 1 DAL CB C 3.273 3.956 5.636 1.00 . A A . 1 DAL CB 1 1 13 736 1 1 1 DAL H2 H 3.135 6.394 6.974 1.00 . A A . 1 DAL H2 1 1 13 737 1 1 1 DAL H3 H 1.640 5.660 6.640 1.00 . A A . 1 DAL H3 1 1 13 738 1 1 1 DAL HA H 2.427 5.389 4.282 1.00 . A A . 1 DAL HA 1 1 13 739 1 1 1 DAL HB1 H 3.656 3.352 4.826 1.00 . A A . 1 DAL HB1 1 1 13 740 1 1 1 DAL HB2 H 2.330 3.552 5.972 1.00 . A A . 1 DAL HB2 1 1 13 741 1 1 1 DAL N N 2.433 6.194 6.233 1.00 . A A . 1 DAL N 1 1 13 742 1 1 1 DAL O O 4.986 5.702 3.739 1.00 . A A . 1 DAL O 1 1 13 743 1 1 2 LEU C C 7.230 6.515 4.955 1.00 . A A . 2 LEU C 1 1 13 744 1 1 2 LEU CA C 6.193 7.540 5.403 1.00 . A A . 2 LEU CA 1 1 13 745 1 1 2 LEU CB C 6.677 8.239 6.678 1.00 . A A . 2 LEU CB 1 1 13 746 1 1 2 LEU CD1 C 7.816 9.891 5.185 1.00 . A A . 2 LEU CD1 1 1 13 747 1 1 2 LEU CD2 C 5.549 10.397 6.116 1.00 . A A . 2 LEU CD2 1 1 13 748 1 1 2 LEU CG C 6.898 9.728 6.399 1.00 . A A . 2 LEU CG 1 1 13 749 1 1 2 LEU H H 4.414 7.095 6.467 1.00 . A A . 2 LEU H 1 1 13 750 1 1 2 LEU HA H 6.067 8.276 4.624 1.00 . A A . 2 LEU HA 1 1 13 751 1 1 2 LEU HB2 H 5.934 8.124 7.454 1.00 . A A . 2 LEU HB2 1 1 13 752 1 1 2 LEU HB3 H 7.606 7.795 7.002 1.00 . A A . 2 LEU HB3 1 1 13 753 1 1 2 LEU HD11 H 8.221 8.930 4.908 1.00 . A A . 2 LEU HD11 1 1 13 754 1 1 2 LEU HD12 H 8.623 10.565 5.433 1.00 . A A . 2 LEU HD12 1 1 13 755 1 1 2 LEU HD13 H 7.251 10.295 4.358 1.00 . A A . 2 LEU HD13 1 1 13 756 1 1 2 LEU HD21 H 5.596 10.915 5.168 1.00 . A A . 2 LEU HD21 1 1 13 757 1 1 2 LEU HD22 H 5.328 11.105 6.901 1.00 . A A . 2 LEU HD22 1 1 13 758 1 1 2 LEU HD23 H 4.774 9.647 6.078 1.00 . A A . 2 LEU HD23 1 1 13 759 1 1 2 LEU HG H 7.356 10.190 7.261 1.00 . A A . 2 LEU HG 1 1 13 760 1 1 2 LEU N N 4.913 6.888 5.650 1.00 . A A . 2 LEU N 1 1 13 761 1 1 2 LEU O O 7.533 6.403 3.768 1.00 . A A . 2 LEU O 1 1 13 762 1 1 3 GLY C C 8.153 3.354 5.676 1.00 . A A . 3 GLY C 1 1 13 763 1 1 3 GLY CA C 8.763 4.750 5.609 1.00 . A A . 3 GLY CA 1 1 13 764 1 1 3 GLY H H 7.482 5.900 6.843 1.00 . A A . 3 GLY H 1 1 13 765 1 1 3 GLY HA2 H 9.152 4.922 4.615 1.00 . A A . 3 GLY HA2 1 1 13 766 1 1 3 GLY HA3 H 9.570 4.817 6.323 1.00 . A A . 3 GLY HA3 1 1 13 767 1 1 3 GLY N N 7.765 5.767 5.915 1.00 . A A . 3 GLY N 1 1 13 768 1 1 3 GLY O O 8.815 2.361 5.374 1.00 . A A . 3 GLY O 1 1 13 769 1 1 4 CYS C C 5.928 1.420 4.802 1.00 . A A . 4 CYS C 1 1 13 770 1 1 4 CYS CA C 6.197 2.005 6.184 1.00 . A A . 4 CYS CA 1 1 13 771 1 1 4 CYS CB C 4.872 2.185 6.929 1.00 . A A . 4 CYS CB 1 1 13 772 1 1 4 CYS H H 6.410 4.111 6.308 1.00 . A A . 4 CYS H 1 1 13 773 1 1 4 CYS HA H 6.817 1.319 6.740 1.00 . A A . 4 CYS HA 1 1 13 774 1 1 4 CYS HB2 H 4.092 1.653 6.407 1.00 . A A . 4 CYS HB2 1 1 13 775 1 1 4 CYS HB3 H 4.967 1.793 7.932 1.00 . A A . 4 CYS HB3 1 1 13 776 1 1 4 CYS N N 6.888 3.286 6.077 1.00 . A A . 4 CYS N 1 1 13 777 1 1 4 CYS O O 5.999 2.123 3.794 1.00 . A A . 4 CYS O 1 1 13 778 1 1 4 CYS SG S 4.456 3.944 7.006 1.00 . A A . 4 CYS SG 1 1 13 779 1 1 5 THR C C 3.942 -1.164 3.526 1.00 . A A . 5 THR C 1 1 13 780 1 1 5 THR CA C 5.337 -0.546 3.502 1.00 . A A . 5 THR CA 1 1 13 781 1 1 5 THR CB C 6.376 -1.641 3.250 1.00 . A A . 5 THR CB 1 1 13 782 1 1 5 THR CG2 C 6.380 -2.623 4.422 1.00 . A A . 5 THR CG2 1 1 13 783 1 1 5 THR H H 5.576 -0.381 5.601 1.00 . A A . 5 THR H 1 1 13 784 1 1 5 THR HA H 5.388 0.174 2.701 1.00 . A A . 5 THR HA 1 1 13 785 1 1 5 THR HB H 7.354 -1.196 3.155 1.00 . A A . 5 THR HB 1 1 13 786 1 1 5 THR HG1 H 5.150 -2.654 2.129 1.00 . A A . 5 THR HG1 1 1 13 787 1 1 5 THR HG21 H 7.398 -2.816 4.727 1.00 . A A . 5 THR HG21 1 1 13 788 1 1 5 THR HG22 H 5.913 -3.549 4.117 1.00 . A A . 5 THR HG22 1 1 13 789 1 1 5 THR HG23 H 5.831 -2.198 5.249 1.00 . A A . 5 THR HG23 1 1 13 790 1 1 5 THR N N 5.618 0.128 4.765 1.00 . A A . 5 THR N 1 1 13 791 1 1 5 THR O O 3.827 -2.331 3.190 1.00 . A A . 5 THR O 1 1 13 792 1 1 5 THR OXT O 3.011 -0.461 3.882 1.00 . A A . 5 THR OXT 1 1 13 793 1 1 5 THR OG1 O 6.051 -2.332 2.051 1.00 . A A . 5 THR OG1 1 1 14 794 1 1 1 DAL C C 4.341 5.984 4.793 1.00 . A A . 1 DAL C 1 1 14 795 1 1 1 DAL CA C 3.036 5.383 5.303 1.00 . A A . 1 DAL CA 1 1 14 796 1 1 1 DAL CB C 3.269 3.943 5.765 1.00 . A A . 1 DAL CB 1 1 14 797 1 1 1 DAL H2 H 3.340 6.521 7.021 1.00 . A A . 1 DAL H2 1 1 14 798 1 1 1 DAL H3 H 1.905 5.609 7.037 1.00 . A A . 1 DAL H3 1 1 14 799 1 1 1 DAL HA H 2.303 5.392 4.510 1.00 . A A . 1 DAL HA 1 1 14 800 1 1 1 DAL HB1 H 3.632 3.355 4.934 1.00 . A A . 1 DAL HB1 1 1 14 801 1 1 1 DAL HB2 H 2.340 3.525 6.123 1.00 . A A . 1 DAL HB2 1 1 14 802 1 1 1 DAL N N 2.534 6.192 6.449 1.00 . A A . 1 DAL N 1 1 14 803 1 1 1 DAL O O 4.786 5.678 3.687 1.00 . A A . 1 DAL O 1 1 14 804 1 1 2 LEU C C 7.264 6.425 4.917 1.00 . A A . 2 LEU C 1 1 14 805 1 1 2 LEU CA C 6.205 7.478 5.226 1.00 . A A . 2 LEU CA 1 1 14 806 1 1 2 LEU CB C 6.696 8.382 6.359 1.00 . A A . 2 LEU CB 1 1 14 807 1 1 2 LEU CD1 C 4.443 9.452 6.493 1.00 . A A . 2 LEU CD1 1 1 14 808 1 1 2 LEU CD2 C 6.434 10.613 7.451 1.00 . A A . 2 LEU CD2 1 1 14 809 1 1 2 LEU CG C 5.940 9.711 6.318 1.00 . A A . 2 LEU CG 1 1 14 810 1 1 2 LEU H H 4.549 7.046 6.476 1.00 . A A . 2 LEU H 1 1 14 811 1 1 2 LEU HA H 6.041 8.080 4.345 1.00 . A A . 2 LEU HA 1 1 14 812 1 1 2 LEU HB2 H 6.523 7.897 7.308 1.00 . A A . 2 LEU HB2 1 1 14 813 1 1 2 LEU HB3 H 7.754 8.569 6.237 1.00 . A A . 2 LEU HB3 1 1 14 814 1 1 2 LEU HD11 H 4.298 8.590 7.128 1.00 . A A . 2 LEU HD11 1 1 14 815 1 1 2 LEU HD12 H 3.994 9.268 5.528 1.00 . A A . 2 LEU HD12 1 1 14 816 1 1 2 LEU HD13 H 3.979 10.314 6.948 1.00 . A A . 2 LEU HD13 1 1 14 817 1 1 2 LEU HD21 H 6.043 11.611 7.313 1.00 . A A . 2 LEU HD21 1 1 14 818 1 1 2 LEU HD22 H 7.514 10.644 7.442 1.00 . A A . 2 LEU HD22 1 1 14 819 1 1 2 LEU HD23 H 6.094 10.221 8.398 1.00 . A A . 2 LEU HD23 1 1 14 820 1 1 2 LEU HG H 6.113 10.195 5.368 1.00 . A A . 2 LEU HG 1 1 14 821 1 1 2 LEU N N 4.950 6.841 5.606 1.00 . A A . 2 LEU N 1 1 14 822 1 1 2 LEU O O 7.593 6.183 3.756 1.00 . A A . 2 LEU O 1 1 14 823 1 1 3 GLY C C 8.198 3.382 5.882 1.00 . A A . 3 GLY C 1 1 14 824 1 1 3 GLY CA C 8.812 4.773 5.793 1.00 . A A . 3 GLY CA 1 1 14 825 1 1 3 GLY H H 7.491 6.034 6.867 1.00 . A A . 3 GLY H 1 1 14 826 1 1 3 GLY HA2 H 9.281 4.895 4.827 1.00 . A A . 3 GLY HA2 1 1 14 827 1 1 3 GLY HA3 H 9.558 4.880 6.566 1.00 . A A . 3 GLY HA3 1 1 14 828 1 1 3 GLY N N 7.793 5.801 5.964 1.00 . A A . 3 GLY N 1 1 14 829 1 1 3 GLY O O 8.911 2.377 5.902 1.00 . A A . 3 GLY O 1 1 14 830 1 1 4 CYS C C 5.703 1.603 4.644 1.00 . A A . 4 CYS C 1 1 14 831 1 1 4 CYS CA C 6.170 2.053 6.024 1.00 . A A . 4 CYS CA 1 1 14 832 1 1 4 CYS CB C 4.962 2.185 6.955 1.00 . A A . 4 CYS CB 1 1 14 833 1 1 4 CYS H H 6.356 4.162 5.918 1.00 . A A . 4 CYS H 1 1 14 834 1 1 4 CYS HA H 6.841 1.311 6.426 1.00 . A A . 4 CYS HA 1 1 14 835 1 1 4 CYS HB2 H 4.134 1.622 6.552 1.00 . A A . 4 CYS HB2 1 1 14 836 1 1 4 CYS HB3 H 5.217 1.800 7.932 1.00 . A A . 4 CYS HB3 1 1 14 837 1 1 4 CYS N N 6.872 3.329 5.937 1.00 . A A . 4 CYS N 1 1 14 838 1 1 4 CYS O O 5.697 2.386 3.693 1.00 . A A . 4 CYS O 1 1 14 839 1 1 4 CYS SG S 4.494 3.927 7.097 1.00 . A A . 4 CYS SG 1 1 14 840 1 1 5 THR C C 4.462 -1.676 3.429 1.00 . A A . 5 THR C 1 1 14 841 1 1 5 THR CA C 4.846 -0.209 3.271 1.00 . A A . 5 THR CA 1 1 14 842 1 1 5 THR CB C 5.942 -0.079 2.210 1.00 . A A . 5 THR CB 1 1 14 843 1 1 5 THR CG2 C 5.343 0.486 0.920 1.00 . A A . 5 THR CG2 1 1 14 844 1 1 5 THR H H 5.340 -0.241 5.332 1.00 . A A . 5 THR H 1 1 14 845 1 1 5 THR HA H 3.980 0.347 2.948 1.00 . A A . 5 THR HA 1 1 14 846 1 1 5 THR HB H 6.368 -1.049 2.009 1.00 . A A . 5 THR HB 1 1 14 847 1 1 5 THR HG1 H 7.138 0.569 3.602 1.00 . A A . 5 THR HG1 1 1 14 848 1 1 5 THR HG21 H 4.762 1.367 1.149 1.00 . A A . 5 THR HG21 1 1 14 849 1 1 5 THR HG22 H 4.707 -0.257 0.464 1.00 . A A . 5 THR HG22 1 1 14 850 1 1 5 THR HG23 H 6.139 0.746 0.238 1.00 . A A . 5 THR HG23 1 1 14 851 1 1 5 THR N N 5.313 0.337 4.540 1.00 . A A . 5 THR N 1 1 14 852 1 1 5 THR O O 4.237 -2.322 2.418 1.00 . A A . 5 THR O 1 1 14 853 1 1 5 THR OXT O 4.398 -2.133 4.558 1.00 . A A . 5 THR OXT 1 1 14 854 1 1 5 THR OG1 O 6.958 0.795 2.686 1.00 . A A . 5 THR OG1 1 1 15 855 1 1 1 DAL C C 4.374 5.988 4.790 1.00 . A A . 1 DAL C 1 1 15 856 1 1 1 DAL CA C 3.040 5.391 5.226 1.00 . A A . 1 DAL CA 1 1 15 857 1 1 1 DAL CB C 3.246 3.960 5.726 1.00 . A A . 1 DAL CB 1 1 15 858 1 1 1 DAL H2 H 2.221 5.607 7.128 1.00 . A A . 1 DAL H2 1 1 15 859 1 1 1 DAL H3 H 1.606 6.699 5.981 1.00 . A A . 1 DAL H3 1 1 15 860 1 1 1 DAL HA H 2.360 5.384 4.386 1.00 . A A . 1 DAL HA 1 1 15 861 1 1 1 DAL HB1 H 3.584 3.339 4.910 1.00 . A A . 1 DAL HB1 1 1 15 862 1 1 1 DAL HB2 H 2.313 3.575 6.109 1.00 . A A . 1 DAL HB2 1 1 15 863 1 1 1 DAL N N 2.462 6.219 6.322 1.00 . A A . 1 DAL N 1 1 15 864 1 1 1 DAL O O 4.894 5.659 3.724 1.00 . A A . 1 DAL O 1 1 15 865 1 1 2 LEU C C 7.242 6.458 4.935 1.00 . A A . 2 LEU C 1 1 15 866 1 1 2 LEU CA C 6.198 7.504 5.314 1.00 . A A . 2 LEU CA 1 1 15 867 1 1 2 LEU CB C 6.688 8.304 6.524 1.00 . A A . 2 LEU CB 1 1 15 868 1 1 2 LEU CD1 C 5.745 10.537 5.914 1.00 . A A . 2 LEU CD1 1 1 15 869 1 1 2 LEU CD2 C 7.900 10.391 7.169 1.00 . A A . 2 LEU CD2 1 1 15 870 1 1 2 LEU CG C 7.033 9.731 6.094 1.00 . A A . 2 LEU CG 1 1 15 871 1 1 2 LEU H H 4.463 7.091 6.459 1.00 . A A . 2 LEU H 1 1 15 872 1 1 2 LEU HA H 6.060 8.178 4.482 1.00 . A A . 2 LEU HA 1 1 15 873 1 1 2 LEU HB2 H 5.911 8.332 7.274 1.00 . A A . 2 LEU HB2 1 1 15 874 1 1 2 LEU HB3 H 7.568 7.832 6.935 1.00 . A A . 2 LEU HB3 1 1 15 875 1 1 2 LEU HD11 H 5.035 9.957 5.343 1.00 . A A . 2 LEU HD11 1 1 15 876 1 1 2 LEU HD12 H 5.965 11.455 5.389 1.00 . A A . 2 LEU HD12 1 1 15 877 1 1 2 LEU HD13 H 5.326 10.767 6.882 1.00 . A A . 2 LEU HD13 1 1 15 878 1 1 2 LEU HD21 H 8.824 9.843 7.273 1.00 . A A . 2 LEU HD21 1 1 15 879 1 1 2 LEU HD22 H 7.370 10.386 8.110 1.00 . A A . 2 LEU HD22 1 1 15 880 1 1 2 LEU HD23 H 8.115 11.410 6.882 1.00 . A A . 2 LEU HD23 1 1 15 881 1 1 2 LEU HG H 7.574 9.704 5.159 1.00 . A A . 2 LEU HG 1 1 15 882 1 1 2 LEU N N 4.923 6.867 5.623 1.00 . A A . 2 LEU N 1 1 15 883 1 1 2 LEU O O 7.541 6.264 3.757 1.00 . A A . 2 LEU O 1 1 15 884 1 1 3 GLY C C 8.192 3.365 5.797 1.00 . A A . 3 GLY C 1 1 15 885 1 1 3 GLY CA C 8.800 4.760 5.703 1.00 . A A . 3 GLY CA 1 1 15 886 1 1 3 GLY H H 7.513 5.983 6.861 1.00 . A A . 3 GLY H 1 1 15 887 1 1 3 GLY HA2 H 9.220 4.900 4.717 1.00 . A A . 3 GLY HA2 1 1 15 888 1 1 3 GLY HA3 H 9.583 4.854 6.440 1.00 . A A . 3 GLY HA3 1 1 15 889 1 1 3 GLY N N 7.791 5.786 5.942 1.00 . A A . 3 GLY N 1 1 15 890 1 1 3 GLY O O 8.897 2.362 5.693 1.00 . A A . 3 GLY O 1 1 15 891 1 1 4 CYS C C 5.823 1.501 4.718 1.00 . A A . 4 CYS C 1 1 15 892 1 1 4 CYS CA C 6.185 2.032 6.103 1.00 . A A . 4 CYS CA 1 1 15 893 1 1 4 CYS CB C 4.916 2.199 6.943 1.00 . A A . 4 CYS CB 1 1 15 894 1 1 4 CYS H H 6.368 4.143 6.071 1.00 . A A . 4 CYS H 1 1 15 895 1 1 4 CYS HA H 6.834 1.321 6.592 1.00 . A A . 4 CYS HA 1 1 15 896 1 1 4 CYS HB2 H 4.104 1.656 6.485 1.00 . A A . 4 CYS HB2 1 1 15 897 1 1 4 CYS HB3 H 5.090 1.815 7.937 1.00 . A A . 4 CYS HB3 1 1 15 898 1 1 4 CYS N N 6.879 3.310 5.995 1.00 . A A . 4 CYS N 1 1 15 899 1 1 4 CYS O O 4.752 0.926 4.521 1.00 . A A . 4 CYS O 1 1 15 900 1 1 4 CYS SG S 4.487 3.955 7.043 1.00 . A A . 4 CYS SG 1 1 15 901 1 1 5 THR C C 7.802 0.808 1.745 1.00 . A A . 5 THR C 1 1 15 902 1 1 5 THR CA C 6.491 1.232 2.399 1.00 . A A . 5 THR CA 1 1 15 903 1 1 5 THR CB C 5.842 2.344 1.572 1.00 . A A . 5 THR CB 1 1 15 904 1 1 5 THR CG2 C 5.531 1.824 0.168 1.00 . A A . 5 THR CG2 1 1 15 905 1 1 5 THR H H 7.562 2.159 3.976 1.00 . A A . 5 THR H 1 1 15 906 1 1 5 THR HA H 5.823 0.384 2.427 1.00 . A A . 5 THR HA 1 1 15 907 1 1 5 THR HB H 6.519 3.181 1.500 1.00 . A A . 5 THR HB 1 1 15 908 1 1 5 THR HG1 H 4.870 3.181 3.034 1.00 . A A . 5 THR HG1 1 1 15 909 1 1 5 THR HG21 H 5.347 2.658 -0.492 1.00 . A A . 5 THR HG21 1 1 15 910 1 1 5 THR HG22 H 4.656 1.193 0.204 1.00 . A A . 5 THR HG22 1 1 15 911 1 1 5 THR HG23 H 6.372 1.253 -0.199 1.00 . A A . 5 THR HG23 1 1 15 912 1 1 5 THR N N 6.725 1.696 3.762 1.00 . A A . 5 THR N 1 1 15 913 1 1 5 THR O O 8.720 1.612 1.728 1.00 . A A . 5 THR O 1 1 15 914 1 1 5 THR OXT O 7.869 -0.314 1.271 1.00 . A A . 5 THR OXT 1 1 15 915 1 1 5 THR OG1 O 4.639 2.759 2.203 1.00 . A A . 5 THR OG1 1 1 stop_ save_
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