################################### # 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 30535 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 HSQC' . . . 30535 1 2 '2D 1H-13C HSQC' . . . 30535 1 3 '2D 1H-1H NOESY' . . . 30535 1 4 '2D 1H-1H TOCSY' . . . 30535 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 PCA H H 1 7.952 0.030 . 1 . . . . A 1 PCA H . 30535 1 2 . 1 . 1 1 1 PCA N N 15 125.228 0.400 . 1 . . . . A 1 PCA N . 30535 1 3 . 1 . 1 1 1 PCA CA C 13 59.619 0.400 . 1 . . . . A 1 PCA CA . 30535 1 4 . 1 . 1 1 1 PCA CB C 13 28.372 0.400 . 1 . . . . A 1 PCA CB . 30535 1 5 . 1 . 1 1 1 PCA CG C 13 31.996 0.400 . 1 . . . . A 1 PCA CG . 30535 1 6 . 1 . 1 1 1 PCA HA H 1 4.373 0.030 . 1 . . . . A 1 PCA HA . 30535 1 7 . 1 . 1 1 1 PCA HB2 H 1 1.999 0.030 . 2 . . . . A 1 PCA HB2 . 30535 1 8 . 1 . 1 1 1 PCA HB3 H 1 2.519 0.030 . 2 . . . . A 1 PCA HB3 . 30535 1 9 . 1 . 1 1 1 PCA HG2 H 1 2.342 0.030 . 2 . . . . A 1 PCA HG2 . 30535 1 10 . 1 . 1 1 1 PCA HG3 H 1 2.342 0.030 . 2 . . . . A 1 PCA HG3 . 30535 1 11 . 1 . 1 2 2 CYS HA H 1 5.393 0.030 . 1 . . . . A 2 CYS HA . 30535 1 12 . 1 . 1 2 2 CYS HB2 H 1 2.584 0.030 . 2 . . . . A 2 CYS HB2 . 30535 1 13 . 1 . 1 2 2 CYS HB3 H 1 2.991 0.030 . 2 . . . . A 2 CYS HB3 . 30535 1 14 . 1 . 1 2 2 CYS CA C 13 56.220 0.400 . 1 . . . . A 2 CYS CA . 30535 1 15 . 1 . 1 2 2 CYS CB C 13 46.496 0.400 . 1 . . . . A 2 CYS CB . 30535 1 16 . 1 . 1 2 2 CYS N N 15 119.193 0.400 . 1 . . . . A 2 CYS N . 30535 1 17 . 1 . 1 3 3 ARG H H 1 8.898 0.030 . 1 . . . . A 3 ARG H . 30535 1 18 . 1 . 1 3 3 ARG HA H 1 4.563 0.030 . 1 . . . . A 3 ARG HA . 30535 1 19 . 1 . 1 3 3 ARG HB2 H 1 1.732 0.030 . 2 . . . . A 3 ARG HB2 . 30535 1 20 . 1 . 1 3 3 ARG HB3 H 1 1.732 0.030 . 2 . . . . A 3 ARG HB3 . 30535 1 21 . 1 . 1 3 3 ARG HG2 H 1 1.502 0.030 . 2 . . . . A 3 ARG HG2 . 30535 1 22 . 1 . 1 3 3 ARG HG3 H 1 1.617 0.030 . 2 . . . . A 3 ARG HG3 . 30535 1 23 . 1 . 1 3 3 ARG HD2 H 1 3.132 0.030 . 2 . . . . A 3 ARG HD2 . 30535 1 24 . 1 . 1 3 3 ARG HD3 H 1 3.132 0.030 . 2 . . . . A 3 ARG HD3 . 30535 1 25 . 1 . 1 3 3 ARG HE H 1 7.083 0.030 . 1 . . . . A 3 ARG HE . 30535 1 26 . 1 . 1 3 3 ARG CA C 13 54.797 0.400 . 1 . . . . A 3 ARG CA . 30535 1 27 . 1 . 1 3 3 ARG CB C 13 33.379 0.400 . 1 . . . . A 3 ARG CB . 30535 1 28 . 1 . 1 3 3 ARG CG C 13 26.885 0.400 . 1 . . . . A 3 ARG CG . 30535 1 29 . 1 . 1 3 3 ARG CD C 13 43.661 0.400 . 1 . . . . A 3 ARG CD . 30535 1 30 . 1 . 1 3 3 ARG N N 15 121.986 0.400 . 1 . . . . A 3 ARG N . 30535 1 31 . 1 . 1 3 3 ARG NE N 15 84.679 0.400 . 1 . . . . A 3 ARG NE . 30535 1 32 . 1 . 1 4 4 ARG H H 1 8.610 0.030 . 1 . . . . A 4 ARG H . 30535 1 33 . 1 . 1 4 4 ARG HA H 1 4.941 0.030 . 1 . . . . A 4 ARG HA . 30535 1 34 . 1 . 1 4 4 ARG HB2 H 1 1.669 0.030 . 2 . . . . A 4 ARG HB2 . 30535 1 35 . 1 . 1 4 4 ARG HB3 H 1 1.540 0.030 . 2 . . . . A 4 ARG HB3 . 30535 1 36 . 1 . 1 4 4 ARG HG2 H 1 1.372 0.030 . 2 . . . . A 4 ARG HG2 . 30535 1 37 . 1 . 1 4 4 ARG HG3 H 1 1.370 0.030 . 2 . . . . A 4 ARG HG3 . 30535 1 38 . 1 . 1 4 4 ARG HD2 H 1 2.994 0.030 . 2 . . . . A 4 ARG HD2 . 30535 1 39 . 1 . 1 4 4 ARG HD3 H 1 2.994 0.030 . 2 . . . . A 4 ARG HD3 . 30535 1 40 . 1 . 1 4 4 ARG HE H 1 7.047 0.030 . 1 . . . . A 4 ARG HE . 30535 1 41 . 1 . 1 4 4 ARG CA C 13 55.189 0.400 . 1 . . . . A 4 ARG CA . 30535 1 42 . 1 . 1 4 4 ARG CB C 13 31.585 0.400 . 1 . . . . A 4 ARG CB . 30535 1 43 . 1 . 1 4 4 ARG CG C 13 27.478 0.400 . 1 . . . . A 4 ARG CG . 30535 1 44 . 1 . 1 4 4 ARG CD C 13 43.644 0.400 . 1 . . . . A 4 ARG CD . 30535 1 45 . 1 . 1 4 4 ARG N N 15 123.935 0.400 . 1 . . . . A 4 ARG N . 30535 1 46 . 1 . 1 4 4 ARG NE N 15 84.623 0.400 . 1 . . . . A 4 ARG NE . 30535 1 47 . 1 . 1 5 5 LEU H H 1 8.994 0.030 . 1 . . . . A 5 LEU H . 30535 1 48 . 1 . 1 5 5 LEU HA H 1 4.641 0.030 . 1 . . . . A 5 LEU HA . 30535 1 49 . 1 . 1 5 5 LEU HB2 H 1 1.545 0.030 . 2 . . . . A 5 LEU HB2 . 30535 1 50 . 1 . 1 5 5 LEU HB3 H 1 1.545 0.030 . 2 . . . . A 5 LEU HB3 . 30535 1 51 . 1 . 1 5 5 LEU HG H 1 1.458 0.030 . 1 . . . . A 5 LEU HG . 30535 1 52 . 1 . 1 5 5 LEU HD11 H 1 0.756 0.030 . 2 . . . . A 5 LEU HD11 . 30535 1 53 . 1 . 1 5 5 LEU HD12 H 1 0.756 0.030 . 2 . . . . A 5 LEU HD12 . 30535 1 54 . 1 . 1 5 5 LEU HD13 H 1 0.756 0.030 . 2 . . . . A 5 LEU HD13 . 30535 1 55 . 1 . 1 5 5 LEU HD21 H 1 0.744 0.030 . 2 . . . . A 5 LEU HD21 . 30535 1 56 . 1 . 1 5 5 LEU HD22 H 1 0.744 0.030 . 2 . . . . A 5 LEU HD22 . 30535 1 57 . 1 . 1 5 5 LEU HD23 H 1 0.744 0.030 . 2 . . . . A 5 LEU HD23 . 30535 1 58 . 1 . 1 5 5 LEU CA C 13 54.176 0.400 . 1 . . . . A 5 LEU CA . 30535 1 59 . 1 . 1 5 5 LEU CB C 13 44.349 0.400 . 1 . . . . A 5 LEU CB . 30535 1 60 . 1 . 1 5 5 LEU CG C 13 27.276 0.400 . 1 . . . . A 5 LEU CG . 30535 1 61 . 1 . 1 5 5 LEU CD1 C 13 24.784 0.400 . 2 . . . . A 5 LEU CD1 . 30535 1 62 . 1 . 1 5 5 LEU CD2 C 13 24.256 0.400 . 2 . . . . A 5 LEU CD2 . 30535 1 63 . 1 . 1 5 5 LEU N N 15 129.253 0.400 . 1 . . . . A 5 LEU N . 30535 1 64 . 1 . 1 6 6 CYS H H 1 8.793 0.030 . 1 . . . . A 6 CYS H . 30535 1 65 . 1 . 1 6 6 CYS HA H 1 5.365 0.030 . 1 . . . . A 6 CYS HA . 30535 1 66 . 1 . 1 6 6 CYS HB2 H 1 2.924 0.030 . 2 . . . . A 6 CYS HB2 . 30535 1 67 . 1 . 1 6 6 CYS HB3 H 1 2.672 0.030 . 2 . . . . A 6 CYS HB3 . 30535 1 68 . 1 . 1 6 6 CYS CA C 13 55.551 0.400 . 1 . . . . A 6 CYS CA . 30535 1 69 . 1 . 1 6 6 CYS CB C 13 47.877 0.400 . 1 . . . . A 6 CYS CB . 30535 1 70 . 1 . 1 6 6 CYS N N 15 122.751 0.400 . 1 . . . . A 6 CYS N . 30535 1 71 . 1 . 1 7 7 TYR H H 1 8.651 0.030 . 1 . . . . A 7 TYR H . 30535 1 72 . 1 . 1 7 7 TYR HA H 1 4.544 0.030 . 1 . . . . A 7 TYR HA . 30535 1 73 . 1 . 1 7 7 TYR HB2 H 1 2.901 0.030 . 2 . . . . A 7 TYR HB2 . 30535 1 74 . 1 . 1 7 7 TYR HB3 H 1 2.901 0.030 . 2 . . . . A 7 TYR HB3 . 30535 1 75 . 1 . 1 7 7 TYR HD1 H 1 7.083 0.030 . 1 . . . . A 7 TYR HD1 . 30535 1 76 . 1 . 1 7 7 TYR HD2 H 1 7.083 0.030 . 1 . . . . A 7 TYR HD2 . 30535 1 77 . 1 . 1 7 7 TYR HE1 H 1 6.733 0.030 . 1 . . . . A 7 TYR HE1 . 30535 1 78 . 1 . 1 7 7 TYR HE2 H 1 6.733 0.030 . 1 . . . . A 7 TYR HE2 . 30535 1 79 . 1 . 1 7 7 TYR CA C 13 57.323 0.400 . 1 . . . . A 7 TYR CA . 30535 1 80 . 1 . 1 7 7 TYR CB C 13 39.647 0.400 . 1 . . . . A 7 TYR CB . 30535 1 81 . 1 . 1 7 7 TYR CD1 C 13 133.336 0.400 . 3 . . . . A 7 TYR CD1 . 30535 1 82 . 1 . 1 7 7 TYR CE1 C 13 118.134 0.400 . 3 . . . . A 7 TYR CE1 . 30535 1 83 . 1 . 1 7 7 TYR N N 15 124.049 0.400 . 1 . . . . A 7 TYR N . 30535 1 84 . 1 . 1 8 8 LYS H H 1 8.953 0.030 . 1 . . . . A 8 LYS H . 30535 1 85 . 1 . 1 8 8 LYS HA H 1 3.558 0.030 . 1 . . . . A 8 LYS HA . 30535 1 86 . 1 . 1 8 8 LYS HB2 H 1 1.664 0.030 . 2 . . . . A 8 LYS HB2 . 30535 1 87 . 1 . 1 8 8 LYS HB3 H 1 1.664 0.030 . 2 . . . . A 8 LYS HB3 . 30535 1 88 . 1 . 1 8 8 LYS HG2 H 1 0.816 0.030 . 2 . . . . A 8 LYS HG2 . 30535 1 89 . 1 . 1 8 8 LYS HG3 H 1 0.935 0.030 . 2 . . . . A 8 LYS HG3 . 30535 1 90 . 1 . 1 8 8 LYS HD2 H 1 1.479 0.030 . 2 . . . . A 8 LYS HD2 . 30535 1 91 . 1 . 1 8 8 LYS HD3 H 1 1.480 0.030 . 2 . . . . A 8 LYS HD3 . 30535 1 92 . 1 . 1 8 8 LYS HE2 H 1 2.838 0.030 . 2 . . . . A 8 LYS HE2 . 30535 1 93 . 1 . 1 8 8 LYS HE3 H 1 2.838 0.030 . 2 . . . . A 8 LYS HE3 . 30535 1 94 . 1 . 1 8 8 LYS HZ1 H 1 7.428 0.030 . 1 . . . . A 8 LYS HZ1 . 30535 1 95 . 1 . 1 8 8 LYS HZ2 H 1 7.428 0.030 . 1 . . . . A 8 LYS HZ2 . 30535 1 96 . 1 . 1 8 8 LYS HZ3 H 1 7.428 0.030 . 1 . . . . A 8 LYS HZ3 . 30535 1 97 . 1 . 1 8 8 LYS CA C 13 58.250 0.400 . 1 . . . . A 8 LYS CA . 30535 1 98 . 1 . 1 8 8 LYS CB C 13 29.996 0.400 . 1 . . . . A 8 LYS CB . 30535 1 99 . 1 . 1 8 8 LYS CG C 13 25.031 0.400 . 1 . . . . A 8 LYS CG . 30535 1 100 . 1 . 1 8 8 LYS CD C 13 29.237 0.400 . 1 . . . . A 8 LYS CD . 30535 1 101 . 1 . 1 8 8 LYS CE C 13 42.150 0.400 . 1 . . . . A 8 LYS CE . 30535 1 102 . 1 . 1 8 8 LYS N N 15 125.370 0.400 . 1 . . . . A 8 LYS N . 30535 1 103 . 1 . 1 8 8 LYS NZ N 15 32.740 0.400 . 1 . . . . A 8 LYS NZ . 30535 1 104 . 1 . 1 9 9 GLN H H 1 8.359 0.030 . 1 . . . . A 9 GLN H . 30535 1 105 . 1 . 1 9 9 GLN HA H 1 3.936 0.030 . 1 . . . . A 9 GLN HA . 30535 1 106 . 1 . 1 9 9 GLN HB2 H 1 2.220 0.030 . 2 . . . . A 9 GLN HB2 . 30535 1 107 . 1 . 1 9 9 GLN HB3 H 1 2.135 0.030 . 2 . . . . A 9 GLN HB3 . 30535 1 108 . 1 . 1 9 9 GLN HG2 H 1 2.220 0.030 . 2 . . . . A 9 GLN HG2 . 30535 1 109 . 1 . 1 9 9 GLN HG3 H 1 2.220 0.030 . 2 . . . . A 9 GLN HG3 . 30535 1 110 . 1 . 1 9 9 GLN HE21 H 1 7.443 0.030 . 2 . . . . A 9 GLN HE21 . 30535 1 111 . 1 . 1 9 9 GLN HE22 H 1 6.752 0.030 . 2 . . . . A 9 GLN HE22 . 30535 1 112 . 1 . 1 9 9 GLN CA C 13 57.187 0.400 . 1 . . . . A 9 GLN CA . 30535 1 113 . 1 . 1 9 9 GLN CB C 13 27.732 0.400 . 1 . . . . A 9 GLN CB . 30535 1 114 . 1 . 1 9 9 GLN CG C 13 34.626 0.400 . 1 . . . . A 9 GLN CG . 30535 1 115 . 1 . 1 9 9 GLN N N 15 113.078 0.400 . 1 . . . . A 9 GLN N . 30535 1 116 . 1 . 1 9 9 GLN NE2 N 15 112.113 0.400 . 1 . . . . A 9 GLN NE2 . 30535 1 117 . 1 . 1 10 10 ARG H H 1 7.799 0.030 . 1 . . . . A 10 ARG H . 30535 1 118 . 1 . 1 10 10 ARG HA H 1 4.552 0.030 . 1 . . . . A 10 ARG HA . 30535 1 119 . 1 . 1 10 10 ARG HB2 H 1 1.790 0.030 . 2 . . . . A 10 ARG HB2 . 30535 1 120 . 1 . 1 10 10 ARG HB3 H 1 1.911 0.030 . 2 . . . . A 10 ARG HB3 . 30535 1 121 . 1 . 1 10 10 ARG HG2 H 1 1.459 0.030 . 2 . . . . A 10 ARG HG2 . 30535 1 122 . 1 . 1 10 10 ARG HG3 H 1 1.557 0.030 . 2 . . . . A 10 ARG HG3 . 30535 1 123 . 1 . 1 10 10 ARG HD2 H 1 3.147 0.030 . 2 . . . . A 10 ARG HD2 . 30535 1 124 . 1 . 1 10 10 ARG HD3 H 1 3.147 0.030 . 2 . . . . A 10 ARG HD3 . 30535 1 125 . 1 . 1 10 10 ARG HE H 1 7.126 0.030 . 1 . . . . A 10 ARG HE . 30535 1 126 . 1 . 1 10 10 ARG CA C 13 55.478 0.400 . 1 . . . . A 10 ARG CA . 30535 1 127 . 1 . 1 10 10 ARG CB C 13 31.357 0.400 . 1 . . . . A 10 ARG CB . 30535 1 128 . 1 . 1 10 10 ARG CG C 13 27.183 0.400 . 1 . . . . A 10 ARG CG . 30535 1 129 . 1 . 1 10 10 ARG CD C 13 43.422 0.400 . 1 . . . . A 10 ARG CD . 30535 1 130 . 1 . 1 10 10 ARG N N 15 120.786 0.400 . 1 . . . . A 10 ARG N . 30535 1 131 . 1 . 1 10 10 ARG NE N 15 84.692 0.400 . 1 . . . . A 10 ARG NE . 30535 1 132 . 1 . 1 11 11 CYS H H 1 8.747 0.030 . 1 . . . . A 11 CYS H . 30535 1 133 . 1 . 1 11 11 CYS HA H 1 5.538 0.030 . 1 . . . . A 11 CYS HA . 30535 1 134 . 1 . 1 11 11 CYS HB2 H 1 2.950 0.030 . 2 . . . . A 11 CYS HB2 . 30535 1 135 . 1 . 1 11 11 CYS HB3 H 1 2.438 0.030 . 2 . . . . A 11 CYS HB3 . 30535 1 136 . 1 . 1 11 11 CYS CA C 13 55.741 0.400 . 1 . . . . A 11 CYS CA . 30535 1 137 . 1 . 1 11 11 CYS CB C 13 47.656 0.400 . 1 . . . . A 11 CYS CB . 30535 1 138 . 1 . 1 11 11 CYS N N 15 123.559 0.400 . 1 . . . . A 11 CYS N . 30535 1 139 . 1 . 1 12 12 VAL H H 1 8.872 0.030 . 1 . . . . A 12 VAL H . 30535 1 140 . 1 . 1 12 12 VAL HA H 1 4.328 0.030 . 1 . . . . A 12 VAL HA . 30535 1 141 . 1 . 1 12 12 VAL HB H 1 1.963 0.030 . 1 . . . . A 12 VAL HB . 30535 1 142 . 1 . 1 12 12 VAL HG11 H 1 0.692 0.030 . 2 . . . . A 12 VAL HG11 . 30535 1 143 . 1 . 1 12 12 VAL HG12 H 1 0.692 0.030 . 2 . . . . A 12 VAL HG12 . 30535 1 144 . 1 . 1 12 12 VAL HG13 H 1 0.692 0.030 . 2 . . . . A 12 VAL HG13 . 30535 1 145 . 1 . 1 12 12 VAL HG21 H 1 0.815 0.030 . 2 . . . . A 12 VAL HG21 . 30535 1 146 . 1 . 1 12 12 VAL HG22 H 1 0.815 0.030 . 2 . . . . A 12 VAL HG22 . 30535 1 147 . 1 . 1 12 12 VAL HG23 H 1 0.815 0.030 . 2 . . . . A 12 VAL HG23 . 30535 1 148 . 1 . 1 12 12 VAL CA C 13 60.397 0.400 . 1 . . . . A 12 VAL CA . 30535 1 149 . 1 . 1 12 12 VAL CB C 13 35.570 0.400 . 1 . . . . A 12 VAL CB . 30535 1 150 . 1 . 1 12 12 VAL CG1 C 13 20.995 0.400 . 2 . . . . A 12 VAL CG1 . 30535 1 151 . 1 . 1 12 12 VAL CG2 C 13 19.996 0.400 . 2 . . . . A 12 VAL CG2 . 30535 1 152 . 1 . 1 12 12 VAL N N 15 121.011 0.400 . 1 . . . . A 12 VAL N . 30535 1 153 . 1 . 1 13 13 THR H H 1 8.435 0.030 . 1 . . . . A 13 THR H . 30535 1 154 . 1 . 1 13 13 THR HA H 1 4.778 0.030 . 1 . . . . A 13 THR HA . 30535 1 155 . 1 . 1 13 13 THR HB H 1 3.857 0.030 . 1 . . . . A 13 THR HB . 30535 1 156 . 1 . 1 13 13 THR HG21 H 1 1.021 0.030 . 1 . . . . A 13 THR HG21 . 30535 1 157 . 1 . 1 13 13 THR HG22 H 1 1.021 0.030 . 1 . . . . A 13 THR HG22 . 30535 1 158 . 1 . 1 13 13 THR HG23 H 1 1.021 0.030 . 1 . . . . A 13 THR HG23 . 30535 1 159 . 1 . 1 13 13 THR CB C 13 69.464 0.400 . 1 . . . . A 13 THR CB . 30535 1 160 . 1 . 1 13 13 THR CG2 C 13 22.625 0.400 . 1 . . . . A 13 THR CG2 . 30535 1 161 . 1 . 1 13 13 THR N N 15 120.292 0.400 . 1 . . . . A 13 THR N . 30535 1 162 . 1 . 1 14 14 TYR H H 1 9.021 0.030 . 1 . . . . A 14 TYR H . 30535 1 163 . 1 . 1 14 14 TYR HA H 1 4.747 0.030 . 1 . . . . A 14 TYR HA . 30535 1 164 . 1 . 1 14 14 TYR HB2 H 1 2.884 0.030 . 2 . . . . A 14 TYR HB2 . 30535 1 165 . 1 . 1 14 14 TYR HB3 H 1 2.790 0.030 . 2 . . . . A 14 TYR HB3 . 30535 1 166 . 1 . 1 14 14 TYR HD1 H 1 6.991 0.030 . 1 . . . . A 14 TYR HD1 . 30535 1 167 . 1 . 1 14 14 TYR HD2 H 1 6.991 0.030 . 1 . . . . A 14 TYR HD2 . 30535 1 168 . 1 . 1 14 14 TYR HE1 H 1 6.692 0.030 . 1 . . . . A 14 TYR HE1 . 30535 1 169 . 1 . 1 14 14 TYR HE2 H 1 6.692 0.030 . 1 . . . . A 14 TYR HE2 . 30535 1 170 . 1 . 1 14 14 TYR CB C 13 40.863 0.400 . 1 . . . . A 14 TYR CB . 30535 1 171 . 1 . 1 14 14 TYR CD2 C 13 133.110 0.400 . 3 . . . . A 14 TYR CD2 . 30535 1 172 . 1 . 1 14 14 TYR CE1 C 13 118.230 0.400 . 3 . . . . A 14 TYR CE1 . 30535 1 173 . 1 . 1 14 14 TYR N N 15 127.927 0.400 . 1 . . . . A 14 TYR N . 30535 1 174 . 1 . 1 15 15 CYS H H 1 8.798 0.030 . 1 . . . . A 15 CYS H . 30535 1 175 . 1 . 1 15 15 CYS HA H 1 5.106 0.030 . 1 . . . . A 15 CYS HA . 30535 1 176 . 1 . 1 15 15 CYS HB2 H 1 2.826 0.030 . 2 . . . . A 15 CYS HB2 . 30535 1 177 . 1 . 1 15 15 CYS HB3 H 1 2.826 0.030 . 2 . . . . A 15 CYS HB3 . 30535 1 178 . 1 . 1 15 15 CYS CA C 13 55.068 0.400 . 1 . . . . A 15 CYS CA . 30535 1 179 . 1 . 1 15 15 CYS CB C 13 46.083 0.400 . 1 . . . . A 15 CYS CB . 30535 1 180 . 1 . 1 15 15 CYS N N 15 124.546 0.400 . 1 . . . . A 15 CYS N . 30535 1 181 . 1 . 1 16 16 ARG H H 1 7.976 0.030 . 1 . . . . A 16 ARG H . 30535 1 182 . 1 . 1 16 16 ARG HA H 1 4.186 0.030 . 1 . . . . A 16 ARG HA . 30535 1 183 . 1 . 1 16 16 ARG HB2 H 1 1.702 0.030 . 2 . . . . A 16 ARG HB2 . 30535 1 184 . 1 . 1 16 16 ARG HB3 H 1 1.778 0.030 . 2 . . . . A 16 ARG HB3 . 30535 1 185 . 1 . 1 16 16 ARG HG2 H 1 1.594 0.030 . 2 . . . . A 16 ARG HG2 . 30535 1 186 . 1 . 1 16 16 ARG HG3 H 1 1.782 0.030 . 2 . . . . A 16 ARG HG3 . 30535 1 187 . 1 . 1 16 16 ARG HD2 H 1 3.131 0.030 . 2 . . . . A 16 ARG HD2 . 30535 1 188 . 1 . 1 16 16 ARG HD3 H 1 3.131 0.030 . 2 . . . . A 16 ARG HD3 . 30535 1 189 . 1 . 1 16 16 ARG CA C 13 56.299 0.400 . 1 . . . . A 16 ARG CA . 30535 1 190 . 1 . 1 16 16 ARG CB C 13 30.986 0.400 . 1 . . . . A 16 ARG CB . 30535 1 191 . 1 . 1 16 16 ARG CG C 13 26.980 0.400 . 1 . . . . A 16 ARG CG . 30535 1 192 . 1 . 1 16 16 ARG CD C 13 43.437 0.400 . 1 . . . . A 16 ARG CD . 30535 1 193 . 1 . 1 16 16 ARG N N 15 122.870 0.400 . 1 . . . . A 16 ARG N . 30535 1 194 . 1 . 1 17 17 GLY H H 1 8.464 0.030 . 1 . . . . A 17 GLY H . 30535 1 195 . 1 . 1 17 17 GLY HA2 H 1 3.889 0.030 . 2 . . . . A 17 GLY HA2 . 30535 1 196 . 1 . 1 17 17 GLY HA3 H 1 3.889 0.030 . 2 . . . . A 17 GLY HA3 . 30535 1 197 . 1 . 1 17 17 GLY CA C 13 45.070 0.400 . 1 . . . . A 17 GLY CA . 30535 1 198 . 1 . 1 17 17 GLY N N 15 111.472 0.400 . 1 . . . . A 17 GLY N . 30535 1 199 . 1 . 1 18 18 ARG H H 1 8.215 0.030 . 1 . . . . A 18 ARG H . 30535 1 200 . 1 . 1 18 18 ARG HA H 1 4.215 0.030 . 1 . . . . A 18 ARG HA . 30535 1 201 . 1 . 1 18 18 ARG HB2 H 1 1.779 0.030 . 2 . . . . A 18 ARG HB2 . 30535 1 202 . 1 . 1 18 18 ARG HB3 H 1 1.652 0.030 . 2 . . . . A 18 ARG HB3 . 30535 1 203 . 1 . 1 18 18 ARG HG2 H 1 1.545 0.030 . 2 . . . . A 18 ARG HG2 . 30535 1 204 . 1 . 1 18 18 ARG HG3 H 1 1.545 0.030 . 2 . . . . A 18 ARG HG3 . 30535 1 205 . 1 . 1 18 18 ARG HD2 H 1 3.103 0.030 . 2 . . . . A 18 ARG HD2 . 30535 1 206 . 1 . 1 18 18 ARG HD3 H 1 3.103 0.030 . 2 . . . . A 18 ARG HD3 . 30535 1 207 . 1 . 1 18 18 ARG HE H 1 7.095 0.030 . 1 . . . . A 18 ARG HE . 30535 1 208 . 1 . 1 18 18 ARG CA C 13 55.876 0.400 . 1 . . . . A 18 ARG CA . 30535 1 209 . 1 . 1 18 18 ARG CB C 13 30.939 0.400 . 1 . . . . A 18 ARG CB . 30535 1 210 . 1 . 1 18 18 ARG CG C 13 27.008 0.400 . 1 . . . . A 18 ARG CG . 30535 1 211 . 1 . 1 18 18 ARG CD C 13 43.316 0.400 . 1 . . . . A 18 ARG CD . 30535 1 212 . 1 . 1 18 18 ARG N N 15 121.161 0.400 . 1 . . . . A 18 ARG N . 30535 1 213 . 1 . 1 18 18 ARG NE N 15 84.646 0.400 . 1 . . . . A 18 ARG NE . 30535 1 214 . 1 . 1 19 19 NH2 N N 15 108.178 0.400 . 1 . . . . A 19 NH2 N . 30535 1 215 . 1 . 1 19 19 NH2 HN1 H 1 7.043 0.030 . 1 . . . . A 19 NH2 HN1 . 30535 1 216 . 1 . 1 19 19 NH2 HN2 H 1 7.605 0.030 . 1 . . . . A 19 NH2 HN2 . 30535 1 stop_ save_