################################### # 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 34884 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _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-1H TOCSY' . . . 34884 1 2 '2D 1H-1H NOESY' . . . 34884 1 3 '2D 1H-13C HSQC aliphatic' . . . 34884 1 4 '2D 1H-13C HSQC aromatic' . . . 34884 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 2 2 TYR H H 1 7.762 0.000 . 1 . . . . A 2 TYR H . 34884 1 2 . 1 . 1 2 2 TYR HA H 1 4.529 0.000 . 1 . . . . A 2 TYR HA . 34884 1 3 . 1 . 1 2 2 TYR HB2 H 1 2.777 0.000 . 2 . . . . A 2 TYR HB2 . 34884 1 4 . 1 . 1 2 2 TYR HB3 H 1 2.659 0.000 . 2 . . . . A 2 TYR HB3 . 34884 1 5 . 1 . 1 2 2 TYR HD1 H 1 7.036 0.000 . 1 . . . . A 2 TYR HD1 . 34884 1 6 . 1 . 1 2 2 TYR HD2 H 1 7.036 0.000 . 1 . . . . A 2 TYR HD2 . 34884 1 7 . 1 . 1 2 2 TYR HE1 H 1 6.785 0.000 . 1 . . . . A 2 TYR HE1 . 34884 1 8 . 1 . 1 2 2 TYR HE2 H 1 6.785 0.000 . 1 . . . . A 2 TYR HE2 . 34884 1 9 . 1 . 1 2 2 TYR CA C 13 58.187 0.000 . 1 . . . . A 2 TYR CA . 34884 1 10 . 1 . 1 2 2 TYR CD1 C 13 133.029 0.000 . 1 . . . . A 2 TYR CD1 . 34884 1 11 . 1 . 1 2 2 TYR CE1 C 13 118.137 0.000 . 1 . . . . A 2 TYR CE1 . 34884 1 12 . 1 . 1 3 3 GLN H H 1 8.572 0.000 . 1 . . . . A 3 GLN H . 34884 1 13 . 1 . 1 3 3 GLN HA H 1 4.387 0.000 . 1 . . . . A 3 GLN HA . 34884 1 14 . 1 . 1 3 3 GLN HB2 H 1 2.107 0.000 . 2 . . . . A 3 GLN HB2 . 34884 1 15 . 1 . 1 3 3 GLN HB3 H 1 2.080 0.000 . 2 . . . . A 3 GLN HB3 . 34884 1 16 . 1 . 1 3 3 GLN HG2 H 1 2.302 0.000 . 2 . . . . A 3 GLN HG2 . 34884 1 17 . 1 . 1 3 3 GLN HG3 H 1 1.940 0.000 . 2 . . . . A 3 GLN HG3 . 34884 1 18 . 1 . 1 3 3 GLN CA C 13 59.405 0.000 . 1 . . . . A 3 GLN CA . 34884 1 19 . 1 . 1 3 3 GLN CB C 13 28.585 0.000 . 1 . . . . A 3 GLN CB . 34884 1 20 . 1 . 1 3 3 GLN CG C 13 33.857 0.000 . 1 . . . . A 3 GLN CG . 34884 1 21 . 1 . 1 4 4 TRP H H 1 7.943 0.000 . 1 . . . . A 4 TRP H . 34884 1 22 . 1 . 1 4 4 TRP HA H 1 4.509 0.000 . 1 . . . . A 4 TRP HA . 34884 1 23 . 1 . 1 4 4 TRP HB2 H 1 3.376 0.000 . 2 . . . . A 4 TRP HB2 . 34884 1 24 . 1 . 1 4 4 TRP HB3 H 1 3.339 0.000 . 2 . . . . A 4 TRP HB3 . 34884 1 25 . 1 . 1 4 4 TRP HD1 H 1 7.427 0.000 . 1 . . . . A 4 TRP HD1 . 34884 1 26 . 1 . 1 4 4 TRP HE1 H 1 10.627 0.000 . 1 . . . . A 4 TRP HE1 . 34884 1 27 . 1 . 1 4 4 TRP HE3 H 1 7.500 0.000 . 1 . . . . A 4 TRP HE3 . 34884 1 28 . 1 . 1 4 4 TRP HZ2 H 1 7.420 0.000 . 1 . . . . A 4 TRP HZ2 . 34884 1 29 . 1 . 1 4 4 TRP HZ3 H 1 6.888 0.000 . 1 . . . . A 4 TRP HZ3 . 34884 1 30 . 1 . 1 4 4 TRP HH2 H 1 7.040 0.000 . 1 . . . . A 4 TRP HH2 . 34884 1 31 . 1 . 1 4 4 TRP CB C 13 29.482 0.000 . 1 . . . . A 4 TRP CB . 34884 1 32 . 1 . 1 4 4 TRP CD1 C 13 127.700 0.000 . 1 . . . . A 4 TRP CD1 . 34884 1 33 . 1 . 1 4 4 TRP CE3 C 13 120.494 0.000 . 1 . . . . A 4 TRP CE3 . 34884 1 34 . 1 . 1 4 4 TRP CZ2 C 13 114.768 0.000 . 1 . . . . A 4 TRP CZ2 . 34884 1 35 . 1 . 1 4 4 TRP CZ3 C 13 121.446 0.000 . 1 . . . . A 4 TRP CZ3 . 34884 1 36 . 1 . 1 4 4 TRP CH2 C 13 124.074 0.000 . 1 . . . . A 4 TRP CH2 . 34884 1 37 . 1 . 1 5 5 GLN H H 1 8.461 0.000 . 1 . . . . A 5 GLN H . 34884 1 38 . 1 . 1 5 5 GLN HA H 1 4.505 0.000 . 1 . . . . A 5 GLN HA . 34884 1 39 . 1 . 1 5 5 GLN HB2 H 1 1.955 0.000 . 2 . . . . A 5 GLN HB2 . 34884 1 40 . 1 . 1 5 5 GLN HB3 H 1 1.955 0.000 . 2 . . . . A 5 GLN HB3 . 34884 1 41 . 1 . 1 5 5 GLN HG2 H 1 2.203 0.000 . 2 . . . . A 5 GLN HG2 . 34884 1 42 . 1 . 1 5 5 GLN HG3 H 1 2.203 0.000 . 2 . . . . A 5 GLN HG3 . 34884 1 43 . 1 . 1 5 5 GLN CB C 13 28.115 0.000 . 1 . . . . A 5 GLN CB . 34884 1 44 . 1 . 1 5 5 GLN CG C 13 33.794 0.000 . 1 . . . . A 5 GLN CG . 34884 1 45 . 1 . 1 6 6 ILE H H 1 7.665 0.000 . 1 . . . . A 6 ILE H . 34884 1 46 . 1 . 1 6 6 ILE HA H 1 3.907 0.000 . 1 . . . . A 6 ILE HA . 34884 1 47 . 1 . 1 6 6 ILE HB H 1 1.816 0.000 . 1 . . . . A 6 ILE HB . 34884 1 48 . 1 . 1 6 6 ILE HG12 H 1 1.141 0.000 . 2 . . . . A 6 ILE HG12 . 34884 1 49 . 1 . 1 6 6 ILE HG13 H 1 1.303 0.000 . 2 . . . . A 6 ILE HG13 . 34884 1 50 . 1 . 1 6 6 ILE HG21 H 1 0.734 0.000 . 1 . . . . A 6 ILE HG21 . 34884 1 51 . 1 . 1 6 6 ILE HG22 H 1 0.734 0.000 . 1 . . . . A 6 ILE HG22 . 34884 1 52 . 1 . 1 6 6 ILE HG23 H 1 0.734 0.000 . 1 . . . . A 6 ILE HG23 . 34884 1 53 . 1 . 1 6 6 ILE HD11 H 1 0.791 0.000 . 1 . . . . A 6 ILE HD11 . 34884 1 54 . 1 . 1 6 6 ILE HD12 H 1 0.791 0.000 . 1 . . . . A 6 ILE HD12 . 34884 1 55 . 1 . 1 6 6 ILE HD13 H 1 0.791 0.000 . 1 . . . . A 6 ILE HD13 . 34884 1 56 . 1 . 1 6 6 ILE CA C 13 63.243 0.000 . 1 . . . . A 6 ILE CA . 34884 1 57 . 1 . 1 6 6 ILE CB C 13 37.960 0.000 . 1 . . . . A 6 ILE CB . 34884 1 58 . 1 . 1 6 6 ILE CG1 C 13 27.893 0.000 . 1 . . . . A 6 ILE CG1 . 34884 1 59 . 1 . 1 6 6 ILE CG2 C 13 17.336 0.000 . 1 . . . . A 6 ILE CG2 . 34884 1 60 . 1 . 1 6 6 ILE CD1 C 13 13.290 0.000 . 1 . . . . A 6 ILE CD1 . 34884 1 61 . 1 . 1 7 7 PHE H H 1 7.725 0.000 . 1 . . . . A 7 PHE H . 34884 1 62 . 1 . 1 7 7 PHE HA H 1 4.472 0.000 . 1 . . . . A 7 PHE HA . 34884 1 63 . 1 . 1 7 7 PHE HB2 H 1 3.241 0.000 . 2 . . . . A 7 PHE HB2 . 34884 1 64 . 1 . 1 7 7 PHE HB3 H 1 3.162 0.000 . 2 . . . . A 7 PHE HB3 . 34884 1 65 . 1 . 1 7 7 PHE HD1 H 1 7.288 0.000 . 1 . . . . A 7 PHE HD1 . 34884 1 66 . 1 . 1 7 7 PHE HD2 H 1 7.288 0.000 . 1 . . . . A 7 PHE HD2 . 34884 1 67 . 1 . 1 7 7 PHE HE1 H 1 7.270 0.000 . 1 . . . . A 7 PHE HE1 . 34884 1 68 . 1 . 1 7 7 PHE HE2 H 1 7.270 0.000 . 1 . . . . A 7 PHE HE2 . 34884 1 69 . 1 . 1 7 7 PHE HZ H 1 7.192 0.000 . 1 . . . . A 7 PHE HZ . 34884 1 70 . 1 . 1 7 7 PHE CA C 13 59.514 0.000 . 1 . . . . A 7 PHE CA . 34884 1 71 . 1 . 1 7 7 PHE CB C 13 39.397 0.000 . 1 . . . . A 7 PHE CB . 34884 1 72 . 1 . 1 7 7 PHE CD1 C 13 131.738 0.000 . 1 . . . . A 7 PHE CD1 . 34884 1 73 . 1 . 1 7 7 PHE CE1 C 13 131.124 0.000 . 1 . . . . A 7 PHE CE1 . 34884 1 74 . 1 . 1 7 7 PHE CZ C 13 129.474 0.000 . 1 . . . . A 7 PHE CZ . 34884 1 75 . 1 . 1 8 8 TYR H H 1 8.078 0.000 . 1 . . . . A 8 TYR H . 34884 1 76 . 1 . 1 8 8 TYR HA H 1 4.329 0.000 . 1 . . . . A 8 TYR HA . 34884 1 77 . 1 . 1 8 8 TYR HB2 H 1 3.087 0.000 . 2 . . . . A 8 TYR HB2 . 34884 1 78 . 1 . 1 8 8 TYR HB3 H 1 3.087 0.000 . 2 . . . . A 8 TYR HB3 . 34884 1 79 . 1 . 1 8 8 TYR HD1 H 1 7.102 0.000 . 1 . . . . A 8 TYR HD1 . 34884 1 80 . 1 . 1 8 8 TYR HD2 H 1 7.102 0.000 . 1 . . . . A 8 TYR HD2 . 34884 1 81 . 1 . 1 8 8 TYR HE1 H 1 6.860 0.000 . 1 . . . . A 8 TYR HE1 . 34884 1 82 . 1 . 1 8 8 TYR HE2 H 1 6.860 0.000 . 1 . . . . A 8 TYR HE2 . 34884 1 83 . 1 . 1 8 8 TYR CA C 13 59.594 0.000 . 1 . . . . A 8 TYR CA . 34884 1 84 . 1 . 1 8 8 TYR CB C 13 38.786 0.000 . 1 . . . . A 8 TYR CB . 34884 1 85 . 1 . 1 8 8 TYR CD1 C 13 132.972 0.000 . 1 . . . . A 8 TYR CD1 . 34884 1 86 . 1 . 1 8 8 TYR CE1 C 13 118.369 0.000 . 1 . . . . A 8 TYR CE1 . 34884 1 87 . 1 . 1 9 9 ARG H H 1 8.019 0.000 . 1 . . . . A 9 ARG H . 34884 1 88 . 1 . 1 9 9 ARG HA H 1 4.233 0.000 . 1 . . . . A 9 ARG HA . 34884 1 89 . 1 . 1 9 9 ARG HB2 H 1 1.901 0.000 . 2 . . . . A 9 ARG HB2 . 34884 1 90 . 1 . 1 9 9 ARG HB3 H 1 1.844 0.000 . 2 . . . . A 9 ARG HB3 . 34884 1 91 . 1 . 1 9 9 ARG HG2 H 1 1.700 0.000 . 2 . . . . A 9 ARG HG2 . 34884 1 92 . 1 . 1 9 9 ARG HG3 H 1 1.700 0.000 . 2 . . . . A 9 ARG HG3 . 34884 1 93 . 1 . 1 9 9 ARG HD2 H 1 3.195 0.000 . 2 . . . . A 9 ARG HD2 . 34884 1 94 . 1 . 1 9 9 ARG HD3 H 1 3.195 0.000 . 2 . . . . A 9 ARG HD3 . 34884 1 95 . 1 . 1 9 9 ARG HE H 1 7.427 0.000 . 1 . . . . A 9 ARG HE . 34884 1 96 . 1 . 1 9 9 ARG CA C 13 57.125 0.000 . 1 . . . . A 9 ARG CA . 34884 1 97 . 1 . 1 9 9 ARG CB C 13 30.539 0.000 . 1 . . . . A 9 ARG CB . 34884 1 98 . 1 . 1 9 9 ARG CG C 13 27.323 0.000 . 1 . . . . A 9 ARG CG . 34884 1 99 . 1 . 1 9 9 ARG CD C 13 43.549 0.000 . 1 . . . . A 9 ARG CD . 34884 1 100 . 1 . 1 10 10 SER H H 1 7.967 0.000 . 1 . . . . A 10 SER H . 34884 1 101 . 1 . 1 10 10 SER HA H 1 4.389 0.000 . 1 . . . . A 10 SER HA . 34884 1 102 . 1 . 1 10 10 SER HB2 H 1 3.952 0.000 . 2 . . . . A 10 SER HB2 . 34884 1 103 . 1 . 1 10 10 SER HB3 H 1 3.921 0.000 . 2 . . . . A 10 SER HB3 . 34884 1 104 . 1 . 1 10 10 SER CA C 13 55.791 0.000 . 1 . . . . A 10 SER CA . 34884 1 105 . 1 . 1 10 10 SER CB C 13 63.823 0.000 . 1 . . . . A 10 SER CB . 34884 1 106 . 1 . 1 11 11 LEU H H 1 7.892 0.000 . 1 . . . . A 11 LEU H . 34884 1 107 . 1 . 1 11 11 LEU HA H 1 4.290 0.000 . 1 . . . . A 11 LEU HA . 34884 1 108 . 1 . 1 11 11 LEU HB2 H 1 1.683 0.000 . 2 . . . . A 11 LEU HB2 . 34884 1 109 . 1 . 1 11 11 LEU HB3 H 1 1.566 0.000 . 2 . . . . A 11 LEU HB3 . 34884 1 110 . 1 . 1 11 11 LEU HG H 1 1.688 0.000 . 1 . . . . A 11 LEU HG . 34884 1 111 . 1 . 1 11 11 LEU HD11 H 1 0.887 0.000 . 2 . . . . A 11 LEU HD11 . 34884 1 112 . 1 . 1 11 11 LEU HD12 H 1 0.887 0.000 . 2 . . . . A 11 LEU HD12 . 34884 1 113 . 1 . 1 11 11 LEU HD13 H 1 0.887 0.000 . 2 . . . . A 11 LEU HD13 . 34884 1 114 . 1 . 1 11 11 LEU HD21 H 1 0.823 0.000 . 2 . . . . A 11 LEU HD21 . 34884 1 115 . 1 . 1 11 11 LEU HD22 H 1 0.823 0.000 . 2 . . . . A 11 LEU HD22 . 34884 1 116 . 1 . 1 11 11 LEU HD23 H 1 0.823 0.000 . 2 . . . . A 11 LEU HD23 . 34884 1 117 . 1 . 1 11 11 LEU CA C 13 55.449 0.000 . 1 . . . . A 11 LEU CA . 34884 1 118 . 1 . 1 11 11 LEU CB C 13 42.224 0.000 . 1 . . . . A 11 LEU CB . 34884 1 119 . 1 . 1 11 11 LEU CG C 13 26.788 0.000 . 1 . . . . A 11 LEU CG . 34884 1 120 . 1 . 1 11 11 LEU CD1 C 13 25.489 0.000 . 1 . . . . A 11 LEU CD1 . 34884 1 121 . 1 . 1 11 11 LEU CD2 C 13 23.315 0.000 . 1 . . . . A 11 LEU CD2 . 34884 1 122 . 1 . 1 12 12 ASP H H 1 7.970 0.000 . 1 . . . . A 12 ASP H . 34884 1 123 . 1 . 1 12 12 ASP HA H 1 4.547 0.000 . 1 . . . . A 12 ASP HA . 34884 1 124 . 1 . 1 12 12 ASP HB2 H 1 2.702 0.000 . 2 . . . . A 12 ASP HB2 . 34884 1 125 . 1 . 1 12 12 ASP HB3 H 1 2.650 0.000 . 2 . . . . A 12 ASP HB3 . 34884 1 126 . 1 . 1 12 12 ASP CA C 13 54.312 0.000 . 1 . . . . A 12 ASP CA . 34884 1 127 . 1 . 1 12 12 ASP CB C 13 41.338 0.000 . 1 . . . . A 12 ASP CB . 34884 1 128 . 1 . 1 13 13 GLY H H 1 8.324 0.000 . 1 . . . . A 13 GLY H . 34884 1 129 . 1 . 1 13 13 GLY HA2 H 1 4.002 0.000 . 2 . . . . A 13 GLY HA2 . 34884 1 130 . 1 . 1 13 13 GLY HA3 H 1 4.002 0.000 . 2 . . . . A 13 GLY HA3 . 34884 1 131 . 1 . 1 13 13 GLY CA C 13 45.668 0.000 . 1 . . . . A 13 GLY CA . 34884 1 132 . 1 . 1 14 14 SER H H 1 8.391 0.000 . 1 . . . . A 14 SER H . 34884 1 133 . 1 . 1 14 14 SER HA H 1 4.380 0.000 . 1 . . . . A 14 SER HA . 34884 1 134 . 1 . 1 14 14 SER HB2 H 1 3.917 0.000 . 2 . . . . A 14 SER HB2 . 34884 1 135 . 1 . 1 14 14 SER HB3 H 1 3.954 0.000 . 2 . . . . A 14 SER HB3 . 34884 1 136 . 1 . 1 14 14 SER CB C 13 63.686 0.000 . 1 . . . . A 14 SER CB . 34884 1 137 . 1 . 1 15 15 GLY H H 1 8.506 0.000 . 1 . . . . A 15 GLY H . 34884 1 138 . 1 . 1 15 15 GLY HA2 H 1 3.966 0.000 . 2 . . . . A 15 GLY HA2 . 34884 1 139 . 1 . 1 15 15 GLY HA3 H 1 3.966 0.000 . 2 . . . . A 15 GLY HA3 . 34884 1 140 . 1 . 1 15 15 GLY CA C 13 45.380 0.000 . 1 . . . . A 15 GLY CA . 34884 1 141 . 1 . 1 16 16 ALA H H 1 8.094 0.000 . 1 . . . . A 16 ALA H . 34884 1 142 . 1 . 1 16 16 ALA HA H 1 4.318 0.000 . 1 . . . . A 16 ALA HA . 34884 1 143 . 1 . 1 16 16 ALA HB1 H 1 1.395 0.000 . 1 . . . . A 16 ALA HB1 . 34884 1 144 . 1 . 1 16 16 ALA HB2 H 1 1.395 0.000 . 1 . . . . A 16 ALA HB2 . 34884 1 145 . 1 . 1 16 16 ALA HB3 H 1 1.395 0.000 . 1 . . . . A 16 ALA HB3 . 34884 1 146 . 1 . 1 16 16 ALA CA C 13 52.587 0.000 . 1 . . . . A 16 ALA CA . 34884 1 147 . 1 . 1 16 16 ALA CB C 13 19.254 0.000 . 1 . . . . A 16 ALA CB . 34884 1 148 . 1 . 1 17 17 LYS H H 1 8.296 0.000 . 1 . . . . A 17 LYS H . 34884 1 149 . 1 . 1 17 17 LYS HA H 1 4.306 0.000 . 1 . . . . A 17 LYS HA . 34884 1 150 . 1 . 1 17 17 LYS HB2 H 1 1.859 0.000 . 2 . . . . A 17 LYS HB2 . 34884 1 151 . 1 . 1 17 17 LYS HB3 H 1 1.793 0.000 . 2 . . . . A 17 LYS HB3 . 34884 1 152 . 1 . 1 17 17 LYS HG2 H 1 1.456 0.000 . 2 . . . . A 17 LYS HG2 . 34884 1 153 . 1 . 1 17 17 LYS HG3 H 1 1.456 0.000 . 2 . . . . A 17 LYS HG3 . 34884 1 154 . 1 . 1 17 17 LYS HD2 H 1 1.694 0.000 . 2 . . . . A 17 LYS HD2 . 34884 1 155 . 1 . 1 17 17 LYS HD3 H 1 1.694 0.000 . 2 . . . . A 17 LYS HD3 . 34884 1 156 . 1 . 1 17 17 LYS HE2 H 1 3.012 0.000 . 2 . . . . A 17 LYS HE2 . 34884 1 157 . 1 . 1 17 17 LYS HE3 H 1 3.012 0.000 . 2 . . . . A 17 LYS HE3 . 34884 1 158 . 1 . 1 17 17 LYS CA C 13 55.449 0.000 . 1 . . . . A 17 LYS CA . 34884 1 159 . 1 . 1 17 17 LYS CB C 13 32.996 0.000 . 1 . . . . A 17 LYS CB . 34884 1 160 . 1 . 1 17 17 LYS CG C 13 24.632 0.000 . 1 . . . . A 17 LYS CG . 34884 1 161 . 1 . 1 17 17 LYS CD C 13 29.039 0.000 . 1 . . . . A 17 LYS CD . 34884 1 162 . 1 . 1 17 17 LYS CE C 13 42.205 0.000 . 1 . . . . A 17 LYS CE . 34884 1 163 . 1 . 1 18 18 GLU H H 1 8.354 0.000 . 1 . . . . A 18 GLU H . 34884 1 164 . 1 . 1 18 18 GLU HA H 1 4.257 0.000 . 1 . . . . A 18 GLU HA . 34884 1 165 . 1 . 1 18 18 GLU HB2 H 1 2.065 0.000 . 2 . . . . A 18 GLU HB2 . 34884 1 166 . 1 . 1 18 18 GLU HB3 H 1 1.966 0.000 . 2 . . . . A 18 GLU HB3 . 34884 1 167 . 1 . 1 18 18 GLU HG2 H 1 2.278 0.000 . 2 . . . . A 18 GLU HG2 . 34884 1 168 . 1 . 1 18 18 GLU HG3 H 1 2.278 0.000 . 2 . . . . A 18 GLU HG3 . 34884 1 169 . 1 . 1 18 18 GLU CA C 13 56.433 0.000 . 1 . . . . A 18 GLU CA . 34884 1 170 . 1 . 1 18 18 GLU CB C 13 30.290 0.000 . 1 . . . . A 18 GLU CB . 34884 1 171 . 1 . 1 18 18 GLU CG C 13 33.799 0.000 . 1 . . . . A 18 GLU CG . 34884 1 stop_ save_