################################### # 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 30536 _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-15N HSQC' . . . 30536 1 2 '2D 1H-13C HSQC' . . . 30536 1 3 '2D 1H-1H TOCSY' . . . 30536 1 4 '2D 1H-1H NOESY' . . . 30536 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 7.996 0.030 . 1 . . . . A 1 PCA H . 30536 1 2 . 1 . 1 1 1 PCA N N 15 125.135 0.400 . 1 . . . . A 1 PCA N . 30536 1 3 . 1 . 1 1 1 PCA CA C 13 59.786 0.400 . 1 . . . . A 1 PCA CA . 30536 1 4 . 1 . 1 1 1 PCA CB C 13 28.488 0.400 . 1 . . . . A 1 PCA CB . 30536 1 5 . 1 . 1 1 1 PCA CG C 13 32.121 0.400 . 1 . . . . A 1 PCA CG . 30536 1 6 . 1 . 1 1 1 PCA HA H 1 4.479 0.030 . 1 . . . . A 1 PCA HA . 30536 1 7 . 1 . 1 1 1 PCA HB2 H 1 2.637 0.030 . 2 . . . . A 1 PCA HB2 . 30536 1 8 . 1 . 1 1 1 PCA HB3 H 1 2.125 0.030 . 2 . . . . A 1 PCA HB3 . 30536 1 9 . 1 . 1 1 1 PCA HG2 H 1 2.461 0.030 . 2 . . . . A 1 PCA HG2 . 30536 1 10 . 1 . 1 1 1 PCA HG3 H 1 2.461 0.030 . 2 . . . . A 1 PCA HG3 . 30536 1 11 . 1 . 1 2 2 CYS H H 1 8.685 0.030 . 1 . . . . A 2 CYS H . 30536 1 12 . 1 . 1 2 2 CYS HA H 1 5.492 0.030 . 1 . . . . A 2 CYS HA . 30536 1 13 . 1 . 1 2 2 CYS HB2 H 1 3.120 0.030 . 2 . . . . A 2 CYS HB2 . 30536 1 14 . 1 . 1 2 2 CYS HB3 H 1 2.714 0.030 . 2 . . . . A 2 CYS HB3 . 30536 1 15 . 1 . 1 2 2 CYS CA C 13 56.373 0.400 . 1 . . . . A 2 CYS CA . 30536 1 16 . 1 . 1 2 2 CYS CB C 13 46.645 0.400 . 1 . . . . A 2 CYS CB . 30536 1 17 . 1 . 1 2 2 CYS N N 15 119.091 0.400 . 1 . . . . A 2 CYS N . 30536 1 18 . 1 . 1 3 3 ARG H H 1 8.970 0.030 . 1 . . . . A 3 ARG H . 30536 1 19 . 1 . 1 3 3 ARG HA H 1 4.675 0.030 . 1 . . . . A 3 ARG HA . 30536 1 20 . 1 . 1 3 3 ARG HB2 H 1 1.884 0.030 . 2 . . . . A 3 ARG HB2 . 30536 1 21 . 1 . 1 3 3 ARG HB3 H 1 1.824 0.030 . 2 . . . . A 3 ARG HB3 . 30536 1 22 . 1 . 1 3 3 ARG HG2 H 1 1.734 0.030 . 2 . . . . A 3 ARG HG2 . 30536 1 23 . 1 . 1 3 3 ARG HG3 H 1 1.628 0.030 . 2 . . . . A 3 ARG HG3 . 30536 1 24 . 1 . 1 3 3 ARG HD2 H 1 3.252 0.030 . 2 . . . . A 3 ARG HD2 . 30536 1 25 . 1 . 1 3 3 ARG HD3 H 1 3.252 0.030 . 2 . . . . A 3 ARG HD3 . 30536 1 26 . 1 . 1 3 3 ARG HE H 1 7.185 0.030 . 1 . . . . A 3 ARG HE . 30536 1 27 . 1 . 1 3 3 ARG CB C 13 33.488 0.400 . 1 . . . . A 3 ARG CB . 30536 1 28 . 1 . 1 3 3 ARG CG C 13 27.004 0.400 . 1 . . . . A 3 ARG CG . 30536 1 29 . 1 . 1 3 3 ARG CD C 13 43.676 0.400 . 1 . . . . A 3 ARG CD . 30536 1 30 . 1 . 1 3 3 ARG N N 15 122.076 0.400 . 1 . . . . A 3 ARG N . 30536 1 31 . 1 . 1 4 4 ARG H H 1 8.645 0.030 . 1 . . . . A 4 ARG H . 30536 1 32 . 1 . 1 4 4 ARG HA H 1 5.055 0.030 . 1 . . . . A 4 ARG HA . 30536 1 33 . 1 . 1 4 4 ARG HB2 H 1 1.790 0.030 . 2 . . . . A 4 ARG HB2 . 30536 1 34 . 1 . 1 4 4 ARG HB3 H 1 1.663 0.030 . 2 . . . . A 4 ARG HB3 . 30536 1 35 . 1 . 1 4 4 ARG HG2 H 1 1.498 0.030 . 2 . . . . A 4 ARG HG2 . 30536 1 36 . 1 . 1 4 4 ARG HG3 H 1 1.498 0.030 . 2 . . . . A 4 ARG HG3 . 30536 1 37 . 1 . 1 4 4 ARG HD2 H 1 3.119 0.030 . 2 . . . . A 4 ARG HD2 . 30536 1 38 . 1 . 1 4 4 ARG HD3 H 1 3.119 0.030 . 2 . . . . A 4 ARG HD3 . 30536 1 39 . 1 . 1 4 4 ARG HE H 1 7.125 0.030 . 1 . . . . A 4 ARG HE . 30536 1 40 . 1 . 1 4 4 ARG CA C 13 55.348 0.400 . 1 . . . . A 4 ARG CA . 30536 1 41 . 1 . 1 4 4 ARG CB C 13 31.755 0.400 . 1 . . . . A 4 ARG CB . 30536 1 42 . 1 . 1 4 4 ARG CG C 13 27.627 0.400 . 1 . . . . A 4 ARG CG . 30536 1 43 . 1 . 1 4 4 ARG CD C 13 43.795 0.400 . 1 . . . . A 4 ARG CD . 30536 1 44 . 1 . 1 4 4 ARG N N 15 123.951 0.400 . 1 . . . . A 4 ARG N . 30536 1 45 . 1 . 1 4 4 ARG NE N 15 84.878 0.400 . 1 . . . . A 4 ARG NE . 30536 1 46 . 1 . 1 5 5 LEU H H 1 9.065 0.030 . 1 . . . . A 5 LEU H . 30536 1 47 . 1 . 1 5 5 LEU HA H 1 4.766 0.030 . 1 . . . . A 5 LEU HA . 30536 1 48 . 1 . 1 5 5 LEU HB2 H 1 1.653 0.030 . 2 . . . . A 5 LEU HB2 . 30536 1 49 . 1 . 1 5 5 LEU HB3 H 1 1.651 0.030 . 2 . . . . A 5 LEU HB3 . 30536 1 50 . 1 . 1 5 5 LEU HG H 1 1.571 0.030 . 1 . . . . A 5 LEU HG . 30536 1 51 . 1 . 1 5 5 LEU HD11 H 1 0.869 0.030 . 2 . . . . A 5 LEU HD11 . 30536 1 52 . 1 . 1 5 5 LEU HD12 H 1 0.869 0.030 . 2 . . . . A 5 LEU HD12 . 30536 1 53 . 1 . 1 5 5 LEU HD13 H 1 0.869 0.030 . 2 . . . . A 5 LEU HD13 . 30536 1 54 . 1 . 1 5 5 LEU HD21 H 1 0.862 0.030 . 2 . . . . A 5 LEU HD21 . 30536 1 55 . 1 . 1 5 5 LEU HD22 H 1 0.862 0.030 . 2 . . . . A 5 LEU HD22 . 30536 1 56 . 1 . 1 5 5 LEU HD23 H 1 0.862 0.030 . 2 . . . . A 5 LEU HD23 . 30536 1 57 . 1 . 1 5 5 LEU CA C 13 54.251 0.400 . 1 . . . . A 5 LEU CA . 30536 1 58 . 1 . 1 5 5 LEU CB C 13 44.467 0.400 . 1 . . . . A 5 LEU CB . 30536 1 59 . 1 . 1 5 5 LEU CG C 13 27.329 0.400 . 1 . . . . A 5 LEU CG . 30536 1 60 . 1 . 1 5 5 LEU CD1 C 13 24.910 0.400 . 2 . . . . A 5 LEU CD1 . 30536 1 61 . 1 . 1 5 5 LEU CD2 C 13 24.398 0.400 . 2 . . . . A 5 LEU CD2 . 30536 1 62 . 1 . 1 5 5 LEU N N 15 129.146 0.400 . 1 . . . . A 5 LEU N . 30536 1 63 . 1 . 1 6 6 CYS H H 1 8.811 0.030 . 1 . . . . A 6 CYS H . 30536 1 64 . 1 . 1 6 6 CYS HA H 1 5.468 0.030 . 1 . . . . A 6 CYS HA . 30536 1 65 . 1 . 1 6 6 CYS HB2 H 1 3.045 0.030 . 2 . . . . A 6 CYS HB2 . 30536 1 66 . 1 . 1 6 6 CYS HB3 H 1 2.806 0.030 . 2 . . . . A 6 CYS HB3 . 30536 1 67 . 1 . 1 6 6 CYS CA C 13 55.725 0.400 . 1 . . . . A 6 CYS CA . 30536 1 68 . 1 . 1 6 6 CYS CB C 13 47.922 0.400 . 1 . . . . A 6 CYS CB . 30536 1 69 . 1 . 1 6 6 CYS N N 15 122.560 0.400 . 1 . . . . A 6 CYS N . 30536 1 70 . 1 . 1 7 7 TYR H H 1 8.737 0.030 . 1 . . . . A 7 TYR H . 30536 1 71 . 1 . 1 7 7 TYR HA H 1 4.662 0.030 . 1 . . . . A 7 TYR HA . 30536 1 72 . 1 . 1 7 7 TYR HB2 H 1 3.028 0.030 . 2 . . . . A 7 TYR HB2 . 30536 1 73 . 1 . 1 7 7 TYR HB3 H 1 3.028 0.030 . 2 . . . . A 7 TYR HB3 . 30536 1 74 . 1 . 1 7 7 TYR HD1 H 1 7.197 0.030 . 1 . . . . A 7 TYR HD1 . 30536 1 75 . 1 . 1 7 7 TYR HD2 H 1 7.197 0.030 . 1 . . . . A 7 TYR HD2 . 30536 1 76 . 1 . 1 7 7 TYR HE1 H 1 6.858 0.030 . 1 . . . . A 7 TYR HE1 . 30536 1 77 . 1 . 1 7 7 TYR HE2 H 1 6.858 0.030 . 1 . . . . A 7 TYR HE2 . 30536 1 78 . 1 . 1 7 7 TYR CB C 13 39.707 0.400 . 1 . . . . A 7 TYR CB . 30536 1 79 . 1 . 1 7 7 TYR CD1 C 13 133.463 0.400 . 3 . . . . A 7 TYR CD1 . 30536 1 80 . 1 . 1 7 7 TYR CE2 C 13 118.254 0.400 . 3 . . . . A 7 TYR CE2 . 30536 1 81 . 1 . 1 7 7 TYR N N 15 124.126 0.400 . 1 . . . . A 7 TYR N . 30536 1 82 . 1 . 1 8 8 LYS H H 1 8.977 0.030 . 1 . . . . A 8 LYS H . 30536 1 83 . 1 . 1 8 8 LYS HA H 1 3.694 0.030 . 1 . . . . A 8 LYS HA . 30536 1 84 . 1 . 1 8 8 LYS HB2 H 1 1.800 0.030 . 2 . . . . A 8 LYS HB2 . 30536 1 85 . 1 . 1 8 8 LYS HB3 H 1 1.800 0.030 . 2 . . . . A 8 LYS HB3 . 30536 1 86 . 1 . 1 8 8 LYS HG2 H 1 0.997 0.030 . 2 . . . . A 8 LYS HG2 . 30536 1 87 . 1 . 1 8 8 LYS HG3 H 1 1.090 0.030 . 2 . . . . A 8 LYS HG3 . 30536 1 88 . 1 . 1 8 8 LYS HD2 H 1 1.617 0.030 . 2 . . . . A 8 LYS HD2 . 30536 1 89 . 1 . 1 8 8 LYS HD3 H 1 1.617 0.030 . 2 . . . . A 8 LYS HD3 . 30536 1 90 . 1 . 1 8 8 LYS HE2 H 1 2.968 0.030 . 2 . . . . A 8 LYS HE2 . 30536 1 91 . 1 . 1 8 8 LYS HE3 H 1 2.968 0.030 . 2 . . . . A 8 LYS HE3 . 30536 1 92 . 1 . 1 8 8 LYS HZ1 H 1 7.512 0.030 . 1 . . . . A 8 LYS HZ1 . 30536 1 93 . 1 . 1 8 8 LYS HZ2 H 1 7.512 0.030 . 1 . . . . A 8 LYS HZ2 . 30536 1 94 . 1 . 1 8 8 LYS HZ3 H 1 7.512 0.030 . 1 . . . . A 8 LYS HZ3 . 30536 1 95 . 1 . 1 8 8 LYS CA C 13 58.475 0.400 . 1 . . . . A 8 LYS CA . 30536 1 96 . 1 . 1 8 8 LYS CB C 13 30.192 0.400 . 1 . . . . A 8 LYS CB . 30536 1 97 . 1 . 1 8 8 LYS CG C 13 25.182 0.400 . 1 . . . . A 8 LYS CG . 30536 1 98 . 1 . 1 8 8 LYS CD C 13 29.325 0.400 . 1 . . . . A 8 LYS CD . 30536 1 99 . 1 . 1 8 8 LYS CE C 13 42.300 0.400 . 1 . . . . A 8 LYS CE . 30536 1 100 . 1 . 1 8 8 LYS N N 15 125.024 0.400 . 1 . . . . A 8 LYS N . 30536 1 101 . 1 . 1 9 9 GLN H H 1 8.410 0.030 . 1 . . . . A 9 GLN H . 30536 1 102 . 1 . 1 9 9 GLN HA H 1 4.080 0.030 . 1 . . . . A 9 GLN HA . 30536 1 103 . 1 . 1 9 9 GLN HB2 H 1 2.343 0.030 . 2 . . . . A 9 GLN HB2 . 30536 1 104 . 1 . 1 9 9 GLN HB3 H 1 2.244 0.030 . 2 . . . . A 9 GLN HB3 . 30536 1 105 . 1 . 1 9 9 GLN HG2 H 1 2.344 0.030 . 2 . . . . A 9 GLN HG2 . 30536 1 106 . 1 . 1 9 9 GLN HG3 H 1 2.344 0.030 . 2 . . . . A 9 GLN HG3 . 30536 1 107 . 1 . 1 9 9 GLN HE21 H 1 7.498 0.030 . 2 . . . . A 9 GLN HE21 . 30536 1 108 . 1 . 1 9 9 GLN HE22 H 1 6.819 0.030 . 2 . . . . A 9 GLN HE22 . 30536 1 109 . 1 . 1 9 9 GLN CA C 13 57.324 0.400 . 1 . . . . A 9 GLN CA . 30536 1 110 . 1 . 1 9 9 GLN CB C 13 27.993 0.400 . 1 . . . . A 9 GLN CB . 30536 1 111 . 1 . 1 9 9 GLN CG C 13 34.748 0.400 . 1 . . . . A 9 GLN CG . 30536 1 112 . 1 . 1 9 9 GLN N N 15 113.478 0.400 . 1 . . . . A 9 GLN N . 30536 1 113 . 1 . 1 9 9 GLN NE2 N 15 111.870 0.400 . 1 . . . . A 9 GLN NE2 . 30536 1 114 . 1 . 1 10 10 ARG H H 1 7.879 0.030 . 1 . . . . A 10 ARG H . 30536 1 115 . 1 . 1 10 10 ARG HA H 1 4.661 0.030 . 1 . . . . A 10 ARG HA . 30536 1 116 . 1 . 1 10 10 ARG HB2 H 1 2.026 0.030 . 2 . . . . A 10 ARG HB2 . 30536 1 117 . 1 . 1 10 10 ARG HB3 H 1 1.904 0.030 . 2 . . . . A 10 ARG HB3 . 30536 1 118 . 1 . 1 10 10 ARG HG2 H 1 1.670 0.030 . 2 . . . . A 10 ARG HG2 . 30536 1 119 . 1 . 1 10 10 ARG HG3 H 1 1.586 0.030 . 2 . . . . A 10 ARG HG3 . 30536 1 120 . 1 . 1 10 10 ARG HD2 H 1 3.263 0.030 . 2 . . . . A 10 ARG HD2 . 30536 1 121 . 1 . 1 10 10 ARG HD3 H 1 3.263 0.030 . 2 . . . . A 10 ARG HD3 . 30536 1 122 . 1 . 1 10 10 ARG HE H 1 7.206 0.030 . 1 . . . . A 10 ARG HE . 30536 1 123 . 1 . 1 10 10 ARG CB C 13 31.578 0.400 . 1 . . . . A 10 ARG CB . 30536 1 124 . 1 . 1 10 10 ARG CG C 13 27.108 0.400 . 1 . . . . A 10 ARG CG . 30536 1 125 . 1 . 1 10 10 ARG CD C 13 43.557 0.400 . 1 . . . . A 10 ARG CD . 30536 1 126 . 1 . 1 10 10 ARG N N 15 120.604 0.400 . 1 . . . . A 10 ARG N . 30536 1 127 . 1 . 1 10 10 ARG NE N 15 85.078 0.400 . 1 . . . . A 10 ARG NE . 30536 1 128 . 1 . 1 11 11 CYS H H 1 8.769 0.030 . 1 . . . . A 11 CYS H . 30536 1 129 . 1 . 1 11 11 CYS HA H 1 5.651 0.030 . 1 . . . . A 11 CYS HA . 30536 1 130 . 1 . 1 11 11 CYS HB2 H 1 3.072 0.030 . 2 . . . . A 11 CYS HB2 . 30536 1 131 . 1 . 1 11 11 CYS HB3 H 1 2.567 0.030 . 2 . . . . A 11 CYS HB3 . 30536 1 132 . 1 . 1 11 11 CYS CA C 13 55.892 0.400 . 1 . . . . A 11 CYS CA . 30536 1 133 . 1 . 1 11 11 CYS CB C 13 47.786 0.400 . 1 . . . . A 11 CYS CB . 30536 1 134 . 1 . 1 11 11 CYS N N 15 123.285 0.400 . 1 . . . . A 11 CYS N . 30536 1 135 . 1 . 1 12 12 VAL H H 1 8.986 0.030 . 1 . . . . A 12 VAL H . 30536 1 136 . 1 . 1 12 12 VAL HA H 1 4.464 0.030 . 1 . . . . A 12 VAL HA . 30536 1 137 . 1 . 1 12 12 VAL HB H 1 2.092 0.030 . 1 . . . . A 12 VAL HB . 30536 1 138 . 1 . 1 12 12 VAL HG11 H 1 0.826 0.030 . 2 . . . . A 12 VAL HG11 . 30536 1 139 . 1 . 1 12 12 VAL HG12 H 1 0.826 0.030 . 2 . . . . A 12 VAL HG12 . 30536 1 140 . 1 . 1 12 12 VAL HG13 H 1 0.826 0.030 . 2 . . . . A 12 VAL HG13 . 30536 1 141 . 1 . 1 12 12 VAL HG21 H 1 0.940 0.030 . 2 . . . . A 12 VAL HG21 . 30536 1 142 . 1 . 1 12 12 VAL HG22 H 1 0.940 0.030 . 2 . . . . A 12 VAL HG22 . 30536 1 143 . 1 . 1 12 12 VAL HG23 H 1 0.940 0.030 . 2 . . . . A 12 VAL HG23 . 30536 1 144 . 1 . 1 12 12 VAL CA C 13 60.545 0.400 . 1 . . . . A 12 VAL CA . 30536 1 145 . 1 . 1 12 12 VAL CB C 13 35.618 0.400 . 1 . . . . A 12 VAL CB . 30536 1 146 . 1 . 1 12 12 VAL CG1 C 13 21.114 0.400 . 2 . . . . A 12 VAL CG1 . 30536 1 147 . 1 . 1 12 12 VAL CG2 C 13 20.081 0.400 . 2 . . . . A 12 VAL CG2 . 30536 1 148 . 1 . 1 12 12 VAL N N 15 120.980 0.400 . 1 . . . . A 12 VAL N . 30536 1 149 . 1 . 1 13 13 THR H H 1 8.463 0.030 . 1 . . . . A 13 THR H . 30536 1 150 . 1 . 1 13 13 THR HA H 1 4.886 0.030 . 1 . . . . A 13 THR HA . 30536 1 151 . 1 . 1 13 13 THR HB H 1 3.987 0.030 . 1 . . . . A 13 THR HB . 30536 1 152 . 1 . 1 13 13 THR HG21 H 1 1.140 0.030 . 1 . . . . A 13 THR HG21 . 30536 1 153 . 1 . 1 13 13 THR HG22 H 1 1.140 0.030 . 1 . . . . A 13 THR HG22 . 30536 1 154 . 1 . 1 13 13 THR HG23 H 1 1.140 0.030 . 1 . . . . A 13 THR HG23 . 30536 1 155 . 1 . 1 13 13 THR CA C 13 62.351 0.400 . 1 . . . . A 13 THR CA . 30536 1 156 . 1 . 1 13 13 THR CB C 13 69.650 0.400 . 1 . . . . A 13 THR CB . 30536 1 157 . 1 . 1 13 13 THR CG2 C 13 22.723 0.400 . 1 . . . . A 13 THR CG2 . 30536 1 158 . 1 . 1 13 13 THR N N 15 120.116 0.400 . 1 . . . . A 13 THR N . 30536 1 159 . 1 . 1 14 14 TYR H H 1 9.085 0.030 . 1 . . . . A 14 TYR H . 30536 1 160 . 1 . 1 14 14 TYR HA H 1 4.887 0.030 . 1 . . . . A 14 TYR HA . 30536 1 161 . 1 . 1 14 14 TYR HB2 H 1 3.008 0.030 . 2 . . . . A 14 TYR HB2 . 30536 1 162 . 1 . 1 14 14 TYR HB3 H 1 2.907 0.030 . 2 . . . . A 14 TYR HB3 . 30536 1 163 . 1 . 1 14 14 TYR HD1 H 1 7.108 0.030 . 1 . . . . A 14 TYR HD1 . 30536 1 164 . 1 . 1 14 14 TYR HD2 H 1 7.108 0.030 . 1 . . . . A 14 TYR HD2 . 30536 1 165 . 1 . 1 14 14 TYR HE1 H 1 6.815 0.030 . 1 . . . . A 14 TYR HE1 . 30536 1 166 . 1 . 1 14 14 TYR HE2 H 1 6.815 0.030 . 1 . . . . A 14 TYR HE2 . 30536 1 167 . 1 . 1 14 14 TYR CA C 13 56.869 0.400 . 1 . . . . A 14 TYR CA . 30536 1 168 . 1 . 1 14 14 TYR CB C 13 40.993 0.400 . 1 . . . . A 14 TYR CB . 30536 1 169 . 1 . 1 14 14 TYR CD2 C 13 133.202 0.400 . 3 . . . . A 14 TYR CD2 . 30536 1 170 . 1 . 1 14 14 TYR CE2 C 13 118.360 0.400 . 3 . . . . A 14 TYR CE2 . 30536 1 171 . 1 . 1 14 14 TYR N N 15 127.787 0.400 . 1 . . . . A 14 TYR N . 30536 1 172 . 1 . 1 15 15 CYS H H 1 8.844 0.030 . 1 . . . . A 15 CYS H . 30536 1 173 . 1 . 1 15 15 CYS HA H 1 5.221 0.030 . 1 . . . . A 15 CYS HA . 30536 1 174 . 1 . 1 15 15 CYS HB2 H 1 2.957 0.030 . 2 . . . . A 15 CYS HB2 . 30536 1 175 . 1 . 1 15 15 CYS HB3 H 1 2.956 0.030 . 2 . . . . A 15 CYS HB3 . 30536 1 176 . 1 . 1 15 15 CYS CA C 13 55.206 0.400 . 1 . . . . A 15 CYS CA . 30536 1 177 . 1 . 1 15 15 CYS CB C 13 46.195 0.400 . 1 . . . . A 15 CYS CB . 30536 1 178 . 1 . 1 15 15 CYS N N 15 124.461 0.400 . 1 . . . . A 15 CYS N . 30536 1 179 . 1 . 1 16 16 ARG H H 1 8.060 0.030 . 1 . . . . A 16 ARG H . 30536 1 180 . 1 . 1 16 16 ARG HA H 1 4.316 0.030 . 1 . . . . A 16 ARG HA . 30536 1 181 . 1 . 1 16 16 ARG HB2 H 1 1.815 0.030 . 2 . . . . A 16 ARG HB2 . 30536 1 182 . 1 . 1 16 16 ARG HB3 H 1 1.901 0.030 . 2 . . . . A 16 ARG HB3 . 30536 1 183 . 1 . 1 16 16 ARG HG2 H 1 1.899 0.030 . 2 . . . . A 16 ARG HG2 . 30536 1 184 . 1 . 1 16 16 ARG HG3 H 1 1.710 0.030 . 2 . . . . A 16 ARG HG3 . 30536 1 185 . 1 . 1 16 16 ARG HD2 H 1 3.254 0.030 . 2 . . . . A 16 ARG HD2 . 30536 1 186 . 1 . 1 16 16 ARG HD3 H 1 3.254 0.030 . 2 . . . . A 16 ARG HD3 . 30536 1 187 . 1 . 1 16 16 ARG HE H 1 7.177 0.030 . 1 . . . . A 16 ARG HE . 30536 1 188 . 1 . 1 16 16 ARG CA C 13 56.425 0.400 . 1 . . . . A 16 ARG CA . 30536 1 189 . 1 . 1 16 16 ARG CB C 13 31.054 0.400 . 1 . . . . A 16 ARG CB . 30536 1 190 . 1 . 1 16 16 ARG CG C 13 27.098 0.400 . 1 . . . . A 16 ARG CG . 30536 1 191 . 1 . 1 16 16 ARG CD C 13 43.471 0.400 . 1 . . . . A 16 ARG CD . 30536 1 192 . 1 . 1 16 16 ARG N N 15 122.838 0.400 . 1 . . . . A 16 ARG N . 30536 1 193 . 1 . 1 16 16 ARG NE N 15 84.877 0.400 . 1 . . . . A 16 ARG NE . 30536 1 194 . 1 . 1 17 17 GLY H H 1 8.493 0.030 . 1 . . . . A 17 GLY H . 30536 1 195 . 1 . 1 17 17 GLY HA2 H 1 4.011 0.030 . 2 . . . . A 17 GLY HA2 . 30536 1 196 . 1 . 1 17 17 GLY HA3 H 1 4.011 0.030 . 2 . . . . A 17 GLY HA3 . 30536 1 197 . 1 . 1 17 17 GLY CA C 13 45.233 0.400 . 1 . . . . A 17 GLY CA . 30536 1 198 . 1 . 1 17 17 GLY N N 15 111.356 0.400 . 1 . . . . A 17 GLY N . 30536 1 199 . 1 . 1 18 18 ARG H H 1 8.254 0.030 . 1 . . . . A 18 ARG H . 30536 1 200 . 1 . 1 18 18 ARG HA H 1 4.341 0.030 . 1 . . . . A 18 ARG HA . 30536 1 201 . 1 . 1 18 18 ARG HB2 H 1 1.892 0.030 . 2 . . . . A 18 ARG HB2 . 30536 1 202 . 1 . 1 18 18 ARG HB3 H 1 1.770 0.030 . 2 . . . . A 18 ARG HB3 . 30536 1 203 . 1 . 1 18 18 ARG HG2 H 1 1.665 0.030 . 2 . . . . A 18 ARG HG2 . 30536 1 204 . 1 . 1 18 18 ARG HG3 H 1 1.665 0.030 . 2 . . . . A 18 ARG HG3 . 30536 1 205 . 1 . 1 18 18 ARG HD2 H 1 3.225 0.030 . 2 . . . . A 18 ARG HD2 . 30536 1 206 . 1 . 1 18 18 ARG HD3 H 1 3.225 0.030 . 2 . . . . A 18 ARG HD3 . 30536 1 207 . 1 . 1 18 18 ARG HE H 1 7.175 0.030 . 1 . . . . A 18 ARG HE . 30536 1 208 . 1 . 1 18 18 ARG CA C 13 56.010 0.400 . 1 . . . . A 18 ARG CA . 30536 1 209 . 1 . 1 18 18 ARG CB C 13 31.031 0.400 . 1 . . . . A 18 ARG CB . 30536 1 210 . 1 . 1 18 18 ARG CG C 13 27.477 0.400 . 1 . . . . A 18 ARG CG . 30536 1 211 . 1 . 1 18 18 ARG CD C 13 43.418 0.400 . 1 . . . . A 18 ARG CD . 30536 1 212 . 1 . 1 18 18 ARG N N 15 121.150 0.400 . 1 . . . . A 18 ARG N . 30536 1 213 . 1 . 1 18 18 ARG NE N 15 85.074 0.400 . 1 . . . . A 18 ARG NE . 30536 1 214 . 1 . 1 19 19 NH2 N N 15 108.030 0.400 . 1 . . . . A 19 NH2 N . 30536 1 215 . 1 . 1 19 19 NH2 HN1 H 1 7.097 0.030 . 1 . . . . A 19 NH2 HN1 . 30536 1 216 . 1 . 1 19 19 NH2 HN2 H 1 7.656 0.030 . 1 . . . . A 19 NH2 HN2 . 30536 1 stop_ save_