################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52755 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HMQC' . . . 52755 1 2 '3D HNCACB' . . . 52755 1 3 '2D HN(CO)CA' . . . 52755 1 4 '3D HNCO' . . . 52755 1 5 '3D HNCA' . . . 52755 1 6 '3D TOCSY-NHSQC' . . . 52755 1 7 '3D CCH-TOCSY aliph' . . . 52755 1 8 '2D 1H-13C HSQC aliphatic' . . . 52755 1 9 '2D 1H-13C HSQC' . . . 52755 1 10 '3D 15N-separated NOESY' . . . 52755 1 11 '2D 1H-15N HMQC' . . . 52755 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52755 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 TYR HA H 1 4.228 0.02 . 1 . . . . . 1 TYR HA . 52755 1 2 . 1 . 1 1 1 TYR HB2 H 1 3.086 0.02 . 2 . . . . . 1 TYR QB . 52755 1 3 . 1 . 1 1 1 TYR HB3 H 1 3.086 0.02 . 2 . . . . . 1 TYR QB . 52755 1 4 . 1 . 1 1 1 TYR C C 13 173.128 0.2 . 1 . . . . . 1 TYR C . 52755 1 5 . 1 . 1 1 1 TYR CA C 13 57.516 0.2 . 1 . . . . . 1 TYR CA . 52755 1 6 . 1 . 1 1 1 TYR CB C 13 38.834 0.2 . 1 . . . . . 1 TYR CB . 52755 1 7 . 1 . 1 2 2 GLY H H 1 8.849 0.02 . 1 . . . . . 2 GLY H . 52755 1 8 . 1 . 1 2 2 GLY HA2 H 1 3.885 0.02 . 2 . . . . . 2 GLY QA . 52755 1 9 . 1 . 1 2 2 GLY HA3 H 1 3.885 0.02 . 2 . . . . . 2 GLY QA . 52755 1 10 . 1 . 1 2 2 GLY C C 13 174.066 0.2 . 1 . . . . . 2 GLY C . 52755 1 11 . 1 . 1 2 2 GLY CA C 13 45.479 0.2 . 1 . . . . . 2 GLY CA . 52755 1 12 . 1 . 1 2 2 GLY N N 15 113.095 0.2 . 1 . . . . . 2 GLY N . 52755 1 13 . 1 . 1 3 3 GLY H H 1 7.946 0.02 . 1 . . . . . 3 GLY H . 52755 1 14 . 1 . 1 3 3 GLY HA2 H 1 3.844 0.02 . 2 . . . . . 3 GLY QA . 52755 1 15 . 1 . 1 3 3 GLY HA3 H 1 3.844 0.02 . 2 . . . . . 3 GLY QA . 52755 1 16 . 1 . 1 3 3 GLY C C 13 173.220 0.2 . 1 . . . . . 3 GLY C . 52755 1 17 . 1 . 1 3 3 GLY CA C 13 45.050 0.04 . 1 . . . . . 3 GLY CA . 52755 1 18 . 1 . 1 3 3 GLY N N 15 108.547 0.2 . 1 . . . . . 3 GLY N . 52755 1 19 . 1 . 1 4 4 PHE H H 1 7.878 0.02 . 1 . . . . . 4 PHE H . 52755 1 20 . 1 . 1 4 4 PHE HA H 1 4.686 0.02 . 1 . . . . . 4 PHE HA . 52755 1 21 . 1 . 1 4 4 PHE HB2 H 1 3.196 0.02 . 2 . . . . . 4 PHE HB2 . 52755 1 22 . 1 . 1 4 4 PHE HB3 H 1 2.954 0.02 . 2 . . . . . 4 PHE HB3 . 52755 1 23 . 1 . 1 4 4 PHE C C 13 175.079 0.2 . 1 . . . . . 4 PHE C . 52755 1 24 . 1 . 1 4 4 PHE CA C 13 57.668 0.2 . 1 . . . . . 4 PHE CA . 52755 1 25 . 1 . 1 4 4 PHE CB C 13 40.063 0.2 . 1 . . . . . 4 PHE CB . 52755 1 26 . 1 . 1 4 4 PHE N N 15 118.138 0.2 . 1 . . . . . 4 PHE N . 52755 1 27 . 1 . 1 5 5 LEU H H 1 8.451 0.02 . 1 . . . . . 5 LEU H . 52755 1 28 . 1 . 1 5 5 LEU HA H 1 4.473 0.02 . 1 . . . . . 5 LEU HA . 52755 1 29 . 1 . 1 5 5 LEU HB2 H 1 1.781 0.02 . 2 . . . . . 5 LEU HB2 . 52755 1 30 . 1 . 1 5 5 LEU HB3 H 1 1.178 0.02 . 2 . . . . . 5 LEU HB3 . 52755 1 31 . 1 . 1 5 5 LEU HG H 1 1.717 0.02 . 1 . . . . . 5 LEU HG . 52755 1 32 . 1 . 1 5 5 LEU HD11 H 1 0.777 0.02 . 2 . . . . . 5 LEU HD1 . 52755 1 33 . 1 . 1 5 5 LEU HD12 H 1 0.777 0.02 . 2 . . . . . 5 LEU HD1 . 52755 1 34 . 1 . 1 5 5 LEU HD13 H 1 0.777 0.02 . 2 . . . . . 5 LEU HD1 . 52755 1 35 . 1 . 1 5 5 LEU HD21 H 1 0.815 0.02 . 2 . . . . . 5 LEU HD2 . 52755 1 36 . 1 . 1 5 5 LEU HD22 H 1 0.815 0.02 . 2 . . . . . 5 LEU HD2 . 52755 1 37 . 1 . 1 5 5 LEU HD23 H 1 0.815 0.02 . 2 . . . . . 5 LEU HD2 . 52755 1 38 . 1 . 1 5 5 LEU C C 13 175.901 0.2 . 1 . . . . . 5 LEU C . 52755 1 39 . 1 . 1 5 5 LEU CA C 13 54.422 0.2 . 1 . . . . . 5 LEU CA . 52755 1 40 . 1 . 1 5 5 LEU CB C 13 43.671 0.2 . 1 . . . . . 5 LEU CB . 52755 1 41 . 1 . 1 5 5 LEU CG C 13 27.732 0.2 . 1 . . . . . 5 LEU CG . 52755 1 42 . 1 . 1 5 5 LEU CD1 C 13 25.924 0.2 . 2 . . . . . 5 LEU CD1 . 52755 1 43 . 1 . 1 5 5 LEU CD2 C 13 24.178 0.2 . 2 . . . . . 5 LEU CD2 . 52755 1 44 . 1 . 1 5 5 LEU N N 15 121.171 0.2 . 1 . . . . . 5 LEU N . 52755 1 45 . 1 . 1 6 6 ARG H H 1 8.899 0.02 . 1 . . . . . 6 ARG H . 52755 1 46 . 1 . 1 6 6 ARG HA H 1 4.481 0.02 . 1 . . . . . 6 ARG HA . 52755 1 47 . 1 . 1 6 6 ARG HB2 H 1 1.787 0.02 . 2 . . . . . 6 ARG HB2 . 52755 1 48 . 1 . 1 6 6 ARG HB3 H 1 1.898 0.02 . 2 . . . . . 6 ARG HB3 . 52755 1 49 . 1 . 1 6 6 ARG HG2 H 1 1.746 0.02 . 2 . . . . . 6 ARG QG . 52755 1 50 . 1 . 1 6 6 ARG HG3 H 1 1.746 0.02 . 2 . . . . . 6 ARG QG . 52755 1 51 . 1 . 1 6 6 ARG HD2 H 1 3.193 0.02 . 2 . . . . . 6 ARG QD . 52755 1 52 . 1 . 1 6 6 ARG HD3 H 1 3.193 0.02 . 2 . . . . . 6 ARG QD . 52755 1 53 . 1 . 1 6 6 ARG C C 13 176.342 0.2 . 1 . . . . . 6 ARG C . 52755 1 54 . 1 . 1 6 6 ARG CA C 13 56.238 0.2 . 1 . . . . . 6 ARG CA . 52755 1 55 . 1 . 1 6 6 ARG CB C 13 32.304 0.2 . 1 . . . . . 6 ARG CB . 52755 1 56 . 1 . 1 6 6 ARG CG C 13 27.372 0.2 . 1 . . . . . 6 ARG CG . 52755 1 57 . 1 . 1 6 6 ARG CD C 13 43.584 0.2 . 1 . . . . . 6 ARG CD . 52755 1 58 . 1 . 1 6 6 ARG N N 15 121.465 0.2 . 1 . . . . . 6 ARG N . 52755 1 59 . 1 . 1 7 7 ARG H H 1 8.547 0.02 . 1 . . . . . 7 ARG H . 52755 1 60 . 1 . 1 7 7 ARG HA H 1 4.198 0.02 . 1 . . . . . 7 ARG HA . 52755 1 61 . 1 . 1 7 7 ARG HB2 H 1 1.626 0.02 . 2 . . . . . 7 ARG QB . 52755 1 62 . 1 . 1 7 7 ARG HB3 H 1 1.626 0.02 . 2 . . . . . 7 ARG QB . 52755 1 63 . 1 . 1 7 7 ARG HG2 H 1 1.510 0.02 . 2 . . . . . 7 ARG QG . 52755 1 64 . 1 . 1 7 7 ARG HG3 H 1 1.510 0.02 . 2 . . . . . 7 ARG QG . 52755 1 65 . 1 . 1 7 7 ARG HD2 H 1 2.554 0.02 . 2 . . . . . 7 ARG HD2 . 52755 1 66 . 1 . 1 7 7 ARG HD3 H 1 2.702 0.02 . 2 . . . . . 7 ARG HD3 . 52755 1 67 . 1 . 1 7 7 ARG C C 13 174.977 0.2 . 1 . . . . . 7 ARG C . 52755 1 68 . 1 . 1 7 7 ARG CA C 13 54.880 0.2 . 1 . . . . . 7 ARG CA . 52755 1 69 . 1 . 1 7 7 ARG CB C 13 31.102 0.2 . 1 . . . . . 7 ARG CB . 52755 1 70 . 1 . 1 7 7 ARG CG C 13 26.624 0.2 . 1 . . . . . 7 ARG CG . 52755 1 71 . 1 . 1 7 7 ARG CD C 13 43.224 0.2 . 1 . . . . . 7 ARG CD . 52755 1 72 . 1 . 1 7 7 ARG N N 15 122.267 0.2 . 1 . . . . . 7 ARG N . 52755 1 73 . 1 . 1 8 8 ILE H H 1 9.051 0.02 . 1 . . . . . 8 ILE H . 52755 1 74 . 1 . 1 8 8 ILE HA H 1 4.198 0.02 . 1 . . . . . 8 ILE HA . 52755 1 75 . 1 . 1 8 8 ILE HB H 1 1.490 0.02 . 1 . . . . . 8 ILE HB . 52755 1 76 . 1 . 1 8 8 ILE HG21 H 1 0.805 0.02 . 1 . . . . . 8 ILE HG2 . 52755 1 77 . 1 . 1 8 8 ILE HG22 H 1 0.805 0.02 . 1 . . . . . 8 ILE HG2 . 52755 1 78 . 1 . 1 8 8 ILE HG23 H 1 0.805 0.02 . 1 . . . . . 8 ILE HG2 . 52755 1 79 . 1 . 1 8 8 ILE HD11 H 1 0.786 0.02 . 1 . . . . . 8 ILE HD1 . 52755 1 80 . 1 . 1 8 8 ILE HD12 H 1 0.786 0.02 . 1 . . . . . 8 ILE HD1 . 52755 1 81 . 1 . 1 8 8 ILE HD13 H 1 0.786 0.02 . 1 . . . . . 8 ILE HD1 . 52755 1 82 . 1 . 1 8 8 ILE C C 13 174.981 0.2 . 1 . . . . . 8 ILE C . 52755 1 83 . 1 . 1 8 8 ILE CA C 13 60.348 0.2 . 1 . . . . . 8 ILE CA . 52755 1 84 . 1 . 1 8 8 ILE CB C 13 41.336 0.2 . 1 . . . . . 8 ILE CB . 52755 1 85 . 1 . 1 8 8 ILE CG1 C 13 27.800 0.2 . 1 . . . . . 8 ILE CG1 . 52755 1 86 . 1 . 1 8 8 ILE CG2 C 13 18.111 0.2 . 1 . . . . . 8 ILE CG2 . 52755 1 87 . 1 . 1 8 8 ILE CD1 C 13 13.840 0.2 . 1 . . . . . 8 ILE CD1 . 52755 1 88 . 1 . 1 8 8 ILE N N 15 121.421 0.2 . 1 . . . . . 8 ILE N . 52755 1 89 . 1 . 1 9 9 ARG H H 1 8.903 0.02 . 1 . . . . . 9 ARG H . 52755 1 90 . 1 . 1 9 9 ARG HA H 1 4.449 0.02 . 1 . . . . . 9 ARG HA . 52755 1 91 . 1 . 1 9 9 ARG HB2 H 1 1.670 0.02 . 2 . . . . . 9 ARG HB2 . 52755 1 92 . 1 . 1 9 9 ARG HB3 H 1 1.830 0.02 . 2 . . . . . 9 ARG HB3 . 52755 1 93 . 1 . 1 9 9 ARG HG2 H 1 1.381 0.02 . 2 . . . . . 9 ARG HG2 . 52755 1 94 . 1 . 1 9 9 ARG HG3 H 1 1.469 0.02 . 2 . . . . . 9 ARG HG3 . 52755 1 95 . 1 . 1 9 9 ARG HD2 H 1 2.864 0.02 . 2 . . . . . 9 ARG HD2 . 52755 1 96 . 1 . 1 9 9 ARG HD3 H 1 2.964 0.02 . 2 . . . . . 9 ARG HD3 . 52755 1 97 . 1 . 1 9 9 ARG CA C 13 54.023 0.2 . 1 . . . . . 9 ARG CA . 52755 1 98 . 1 . 1 9 9 ARG CB C 13 30.882 0.2 . 1 . . . . . 9 ARG CB . 52755 1 99 . 1 . 1 9 9 ARG CG C 13 27.600 0.2 . 1 . . . . . 9 ARG CG . 52755 1 100 . 1 . 1 9 9 ARG CD C 13 43.248 0.2 . 1 . . . . . 9 ARG CD . 52755 1 101 . 1 . 1 9 9 ARG N N 15 130.268 0.2 . 1 . . . . . 9 ARG N . 52755 1 102 . 1 . 1 10 10 PRO HA H 1 4.631 0.02 . 1 . . . . . 10 PRO HA . 52755 1 103 . 1 . 1 10 10 PRO HB2 H 1 2.013 0.02 . 2 . . . . . 10 PRO HB2 . 52755 1 104 . 1 . 1 10 10 PRO HB3 H 1 1.903 0.02 . 2 . . . . . 10 PRO HB3 . 52755 1 105 . 1 . 1 10 10 PRO HG2 H 1 1.848 0.02 . 2 . . . . . 10 PRO HG2 . 52755 1 106 . 1 . 1 10 10 PRO HG3 H 1 2.119 0.02 . 2 . . . . . 10 PRO HG3 . 52755 1 107 . 1 . 1 10 10 PRO HD2 H 1 4.060 0.02 . 2 . . . . . 10 PRO HD2 . 52755 1 108 . 1 . 1 10 10 PRO HD3 H 1 3.663 0.02 . 2 . . . . . 10 PRO HD3 . 52755 1 109 . 1 . 1 10 10 PRO C C 13 174.419 0.2 . 1 . . . . . 10 PRO C . 52755 1 110 . 1 . 1 10 10 PRO CA C 13 61.813 0.2 . 1 . . . . . 10 PRO CA . 52755 1 111 . 1 . 1 10 10 PRO CB C 13 32.084 0.2 . 1 . . . . . 10 PRO CB . 52755 1 112 . 1 . 1 10 10 PRO CG C 13 26.812 0.2 . 1 . . . . . 10 PRO CG . 52755 1 113 . 1 . 1 10 10 PRO CD C 13 50.154 0.2 . 1 . . . . . 10 PRO CD . 52755 1 114 . 1 . 1 11 11 LYS H H 1 8.127 0.02 . 1 . . . . . 11 LYS H . 52755 1 115 . 1 . 1 11 11 LYS HA H 1 4.536 0.02 . 1 . . . . . 11 LYS HA . 52755 1 116 . 1 . 1 11 11 LYS HB2 H 1 1.653 0.02 . 2 . . . . . 11 LYS HB2 . 52755 1 117 . 1 . 1 11 11 LYS HB3 H 1 1.576 0.02 . 2 . . . . . 11 LYS HB3 . 52755 1 118 . 1 . 1 11 11 LYS HG2 H 1 1.300 0.02 . 2 . . . . . 11 LYS HG2 . 52755 1 119 . 1 . 1 11 11 LYS HG3 H 1 1.220 0.02 . 2 . . . . . 11 LYS HG3 . 52755 1 120 . 1 . 1 11 11 LYS HD2 H 1 1.591 0.02 . 2 . . . . . 11 LYS HD2 . 52755 1 121 . 1 . 1 11 11 LYS HD3 H 1 1.657 0.02 . 2 . . . . . 11 LYS HD3 . 52755 1 122 . 1 . 1 11 11 LYS HE2 H 1 2.868 0.02 . 2 . . . . . 11 LYS QE . 52755 1 123 . 1 . 1 11 11 LYS HE3 H 1 2.868 0.02 . 2 . . . . . 11 LYS QE . 52755 1 124 . 1 . 1 11 11 LYS C C 13 174.274 0.2 . 1 . . . . . 11 LYS C . 52755 1 125 . 1 . 1 11 11 LYS CA C 13 54.893 0.2 . 1 . . . . . 11 LYS CA . 52755 1 126 . 1 . 1 11 11 LYS CB C 13 35.830 0.2 . 1 . . . . . 11 LYS CB . 52755 1 127 . 1 . 1 11 11 LYS CG C 13 24.702 0.2 . 1 . . . . . 11 LYS CG . 52755 1 128 . 1 . 1 11 11 LYS CD C 13 29.220 0.2 . 1 . . . . . 11 LYS CD . 52755 1 129 . 1 . 1 11 11 LYS CE C 13 42.048 0.2 . 1 . . . . . 11 LYS CE . 52755 1 130 . 1 . 1 11 11 LYS N N 15 119.388 0.2 . 1 . . . . . 11 LYS N . 52755 1 131 . 1 . 1 12 12 LEU H H 1 6.801 0.02 . 1 . . . . . 12 LEU H . 52755 1 132 . 1 . 1 12 12 LEU HA H 1 4.243 0.02 . 1 . . . . . 12 LEU HA . 52755 1 133 . 1 . 1 12 12 LEU HB2 H 1 0.804 0.02 . 2 . . . . . 12 LEU HB2 . 52755 1 134 . 1 . 1 12 12 LEU HB3 H 1 0.221 0.02 . 2 . . . . . 12 LEU HB3 . 52755 1 135 . 1 . 1 12 12 LEU HG H 1 1.689 0.02 . 1 . . . . . 12 LEU HG . 52755 1 136 . 1 . 1 12 12 LEU HD11 H 1 0.517 0.02 . 2 . . . . . 12 LEU HD1 . 52755 1 137 . 1 . 1 12 12 LEU HD12 H 1 0.517 0.02 . 2 . . . . . 12 LEU HD1 . 52755 1 138 . 1 . 1 12 12 LEU HD13 H 1 0.517 0.02 . 2 . . . . . 12 LEU HD1 . 52755 1 139 . 1 . 1 12 12 LEU HD21 H 1 0.743 0.02 . 2 . . . . . 12 LEU HD2 . 52755 1 140 . 1 . 1 12 12 LEU HD22 H 1 0.743 0.02 . 2 . . . . . 12 LEU HD2 . 52755 1 141 . 1 . 1 12 12 LEU HD23 H 1 0.743 0.02 . 2 . . . . . 12 LEU HD2 . 52755 1 142 . 1 . 1 12 12 LEU C C 13 174.740 0.2 . 1 . . . . . 12 LEU C . 52755 1 143 . 1 . 1 12 12 LEU CA C 13 53.791 0.2 . 1 . . . . . 12 LEU CA . 52755 1 144 . 1 . 1 12 12 LEU CB C 13 42.684 0.2 . 1 . . . . . 12 LEU CB . 52755 1 145 . 1 . 1 12 12 LEU CG C 13 27.779 0.2 . 1 . . . . . 12 LEU CG . 52755 1 146 . 1 . 1 12 12 LEU CD1 C 13 25.830 0.2 . 2 . . . . . 12 LEU CD1 . 52755 1 147 . 1 . 1 12 12 LEU CD2 C 13 23.955 0.2 . 2 . . . . . 12 LEU CD2 . 52755 1 148 . 1 . 1 12 12 LEU N N 15 124.002 0.2 . 1 . . . . . 12 LEU N . 52755 1 149 . 1 . 1 13 13 LYS H H 1 8.669 0.02 . 1 . . . . . 13 LYS H . 52755 1 150 . 1 . 1 13 13 LYS HA H 1 4.373 0.02 . 1 . . . . . 13 LYS HA . 52755 1 151 . 1 . 1 13 13 LYS HB2 H 1 1.610 0.02 . 2 . . . . . 13 LYS HB2 . 52755 1 152 . 1 . 1 13 13 LYS HB3 H 1 1.666 0.02 . 2 . . . . . 13 LYS HB3 . 52755 1 153 . 1 . 1 13 13 LYS HG2 H 1 1.240 0.02 . 2 . . . . . 13 LYS QG . 52755 1 154 . 1 . 1 13 13 LYS HG3 H 1 1.240 0.02 . 2 . . . . . 13 LYS QG . 52755 1 155 . 1 . 1 13 13 LYS HD2 H 1 1.535 0.02 . 2 . . . . . 13 LYS HD2 . 52755 1 156 . 1 . 1 13 13 LYS HD3 H 1 1.660 0.02 . 2 . . . . . 13 LYS HD3 . 52755 1 157 . 1 . 1 13 13 LYS HE2 H 1 2.868 0.02 . 2 . . . . . 13 LYS QE . 52755 1 158 . 1 . 1 13 13 LYS HE3 H 1 2.868 0.02 . 2 . . . . . 13 LYS QE . 52755 1 159 . 1 . 1 13 13 LYS C C 13 175.802 0.2 . 1 . . . . . 13 LYS C . 52755 1 160 . 1 . 1 13 13 LYS CA C 13 55.738 0.2 . 1 . . . . . 13 LYS CA . 52755 1 161 . 1 . 1 13 13 LYS CB C 13 34.000 0.2 . 1 . . . . . 13 LYS CB . 52755 1 162 . 1 . 1 13 13 LYS CG C 13 24.707 0.2 . 1 . . . . . 13 LYS CG . 52755 1 163 . 1 . 1 13 13 LYS CD C 13 29.153 0.2 . 1 . . . . . 13 LYS CD . 52755 1 164 . 1 . 1 13 13 LYS CE C 13 42.048 0.2 . 1 . . . . . 13 LYS CE . 52755 1 165 . 1 . 1 13 13 LYS N N 15 125.758 0.2 . 1 . . . . . 13 LYS N . 52755 1 166 . 1 . 1 14 14 TRP H H 1 7.985 0.02 . 1 . . . . . 14 TRP H . 52755 1 167 . 1 . 1 14 14 TRP HA H 1 4.707 0.02 . 1 . . . . . 14 TRP HA . 52755 1 168 . 1 . 1 14 14 TRP HB2 H 1 3.174 0.02 . 2 . . . . . 14 TRP QB . 52755 1 169 . 1 . 1 14 14 TRP HB3 H 1 3.174 0.02 . 2 . . . . . 14 TRP QB . 52755 1 170 . 1 . 1 14 14 TRP HE1 H 1 10.420 0.02 . 1 . . . . . 14 TRP HE1 . 52755 1 171 . 1 . 1 14 14 TRP C C 13 174.392 0.2 . 1 . . . . . 14 TRP C . 52755 1 172 . 1 . 1 14 14 TRP CA C 13 57.005 0.2 . 1 . . . . . 14 TRP CA . 52755 1 173 . 1 . 1 14 14 TRP CB C 13 30.074 0.2 . 1 . . . . . 14 TRP CB . 52755 1 174 . 1 . 1 14 14 TRP N N 15 122.306 0.2 . 1 . . . . . 14 TRP N . 52755 1 175 . 1 . 1 14 14 TRP NE1 N 15 130.421 0.2 . 1 . . . . . 14 TRP NE1 . 52755 1 176 . 1 . 1 15 15 ASP H H 1 8.212 0.02 . 1 . . . . . 15 ASP H . 52755 1 177 . 1 . 1 15 15 ASP HA H 1 4.591 0.02 . 1 . . . . . 15 ASP HA . 52755 1 178 . 1 . 1 15 15 ASP HB2 H 1 2.573 0.02 . 2 . . . . . 15 ASP HB2 . 52755 1 179 . 1 . 1 15 15 ASP HB3 H 1 2.483 0.02 . 2 . . . . . 15 ASP HB3 . 52755 1 180 . 1 . 1 15 15 ASP C C 13 175.579 0.2 . 1 . . . . . 15 ASP C . 52755 1 181 . 1 . 1 15 15 ASP CA C 13 53.970 0.2 . 1 . . . . . 15 ASP CA . 52755 1 182 . 1 . 1 15 15 ASP CB C 13 41.422 0.2 . 1 . . . . . 15 ASP CB . 52755 1 183 . 1 . 1 15 15 ASP N N 15 120.581 0.2 . 1 . . . . . 15 ASP N . 52755 1 184 . 1 . 1 16 16 ASN H H 1 8.400 0.02 . 1 . . . . . 16 ASN H . 52755 1 185 . 1 . 1 16 16 ASN HA H 1 4.705 0.02 . 1 . . . . . 16 ASN HA . 52755 1 186 . 1 . 1 16 16 ASN HB2 H 1 2.787 0.02 . 2 . . . . . 16 ASN HB2 . 52755 1 187 . 1 . 1 16 16 ASN HB3 H 1 2.708 0.02 . 2 . . . . . 16 ASN HB3 . 52755 1 188 . 1 . 1 16 16 ASN HD21 H 1 7.578 0.02 . 2 . . . . . 16 ASN HD21 . 52755 1 189 . 1 . 1 16 16 ASN HD22 H 1 6.828 0.02 . 2 . . . . . 16 ASN HD22 . 52755 1 190 . 1 . 1 16 16 ASN C C 13 174.260 0.2 . 1 . . . . . 16 ASN C . 52755 1 191 . 1 . 1 16 16 ASN CA C 13 53.323 0.2 . 1 . . . . . 16 ASN CA . 52755 1 192 . 1 . 1 16 16 ASN CB C 13 38.964 0.2 . 1 . . . . . 16 ASN CB . 52755 1 193 . 1 . 1 16 16 ASN N N 15 119.249 0.2 . 1 . . . . . 16 ASN N . 52755 1 194 . 1 . 1 16 16 ASN ND2 N 15 112.869 0.2 . 1 . . . . . 16 ASN ND2 . 52755 1 195 . 1 . 1 17 17 GLN H H 1 7.901 0.02 . 1 . . . . . 17 GLN H . 52755 1 196 . 1 . 1 17 17 GLN HA H 1 4.127 0.02 . 1 . . . . . 17 GLN HA . 52755 1 197 . 1 . 1 17 17 GLN HB2 H 1 2.105 0.02 . 2 . . . . . 17 GLN HB2 . 52755 1 198 . 1 . 1 17 17 GLN HB3 H 1 1.922 0.02 . 2 . . . . . 17 GLN HB3 . 52755 1 199 . 1 . 1 17 17 GLN HG2 H 1 2.248 0.02 . 2 . . . . . 17 GLN QG . 52755 1 200 . 1 . 1 17 17 GLN HG3 H 1 2.248 0.02 . 2 . . . . . 17 GLN QG . 52755 1 201 . 1 . 1 17 17 GLN HE21 H 1 7.454 0.02 . 2 . . . . . 17 GLN HE21 . 52755 1 202 . 1 . 1 17 17 GLN HE22 H 1 6.717 0.02 . 2 . . . . . 17 GLN HE22 . 52755 1 203 . 1 . 1 17 17 GLN CA C 13 57.484 0.2 . 1 . . . . . 17 GLN CA . 52755 1 204 . 1 . 1 17 17 GLN CB C 13 30.396 0.2 . 1 . . . . . 17 GLN CB . 52755 1 205 . 1 . 1 17 17 GLN CG C 13 34.332 0.2 . 1 . . . . . 17 GLN CG . 52755 1 206 . 1 . 1 17 17 GLN N N 15 125.001 0.2 . 1 . . . . . 17 GLN N . 52755 1 207 . 1 . 1 17 17 GLN NE2 N 15 112.418 0.2 . 1 . . . . . 17 GLN NE2 . 52755 1 stop_ save_