################################### # 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 31102 _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' . . . 31102 1 2 '2D 1H-1H NOESY' . . . 31102 1 3 '2D 1H-13C HSQC' . . . 31102 1 4 '2D 1H-15N HSQC' . . . 31102 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 GLY HA2 H 1 3.845 0.001 . . . . . . A 1 GLY HA2 . 31102 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.846 0.000 . . . . . . A 1 GLY HA3 . 31102 1 3 . 1 . 1 1 1 GLY CA C 13 45.564 0.000 . . . . . . A 1 GLY CA . 31102 1 4 . 1 . 1 2 2 LEU H H 1 8.565 0.001 . . . . . . A 2 LEU H . 31102 1 5 . 1 . 1 2 2 LEU HA H 1 4.631 0.003 . . . . . . A 2 LEU HA . 31102 1 6 . 1 . 1 2 2 LEU HB2 H 1 1.460 0.003 . . . . . . A 2 LEU HB2 . 31102 1 7 . 1 . 1 2 2 LEU HB3 H 1 1.586 0.004 . . . . . . A 2 LEU HB3 . 31102 1 8 . 1 . 1 2 2 LEU HG H 1 1.696 0.003 . . . . . . A 2 LEU HG . 31102 1 9 . 1 . 1 2 2 LEU HD11 H 1 0.931 0.003 . . . . . . A 2 LEU HD11 . 31102 1 10 . 1 . 1 2 2 LEU HD12 H 1 0.931 0.003 . . . . . . A 2 LEU HD12 . 31102 1 11 . 1 . 1 2 2 LEU HD13 H 1 0.931 0.003 . . . . . . A 2 LEU HD13 . 31102 1 12 . 1 . 1 2 2 LEU HD21 H 1 0.931 0.003 . . . . . . A 2 LEU HD21 . 31102 1 13 . 1 . 1 2 2 LEU HD22 H 1 0.931 0.003 . . . . . . A 2 LEU HD22 . 31102 1 14 . 1 . 1 2 2 LEU HD23 H 1 0.931 0.003 . . . . . . A 2 LEU HD23 . 31102 1 15 . 1 . 1 2 2 LEU CA C 13 55.876 0.000 . . . . . . A 2 LEU CA . 31102 1 16 . 1 . 1 2 2 LEU CB C 13 44.294 0.020 . . . . . . A 2 LEU CB . 31102 1 17 . 1 . 1 2 2 LEU CG C 13 29.728 0.000 . . . . . . A 2 LEU CG . 31102 1 18 . 1 . 1 2 2 LEU N N 15 122.764 0.000 . . . . . . A 2 LEU N . 31102 1 19 . 1 . 1 3 3 PRO HA H 1 4.455 0.002 . . . . . . A 3 PRO HA . 31102 1 20 . 1 . 1 3 3 PRO HB2 H 1 2.317 0.003 . . . . . . A 3 PRO HB2 . 31102 1 21 . 1 . 1 3 3 PRO HB3 H 1 2.098 0.000 . . . . . . A 3 PRO HB3 . 31102 1 22 . 1 . 1 3 3 PRO HG2 H 1 2.052 0.001 . . . . . . A 3 PRO HG2 . 31102 1 23 . 1 . 1 3 3 PRO HG3 H 1 1.848 0.001 . . . . . . A 3 PRO HG3 . 31102 1 24 . 1 . 1 3 3 PRO HD2 H 1 3.887 0.001 . . . . . . A 3 PRO HD2 . 31102 1 25 . 1 . 1 3 3 PRO HD3 H 1 3.617 0.001 . . . . . . A 3 PRO HD3 . 31102 1 26 . 1 . 1 3 3 PRO CA C 13 65.728 0.000 . . . . . . A 3 PRO CA . 31102 1 27 . 1 . 1 3 3 PRO CB C 13 34.680 0.000 . . . . . . A 3 PRO CB . 31102 1 28 . 1 . 1 3 3 PRO CD C 13 53.247 0.004 . . . . . . A 3 PRO CD . 31102 1 29 . 1 . 1 4 4 VAL H H 1 8.280 0.003 . . . . . . A 4 VAL H . 31102 1 30 . 1 . 1 4 4 VAL HA H 1 4.087 0.003 . . . . . . A 4 VAL HA . 31102 1 31 . 1 . 1 4 4 VAL HB H 1 2.089 0.002 . . . . . . A 4 VAL HB . 31102 1 32 . 1 . 1 4 4 VAL HG11 H 1 0.970 0.002 . . . . . . A 4 VAL HG11 . 31102 1 33 . 1 . 1 4 4 VAL HG12 H 1 0.970 0.002 . . . . . . A 4 VAL HG12 . 31102 1 34 . 1 . 1 4 4 VAL HG13 H 1 0.970 0.002 . . . . . . A 4 VAL HG13 . 31102 1 35 . 1 . 1 4 4 VAL HG21 H 1 0.970 0.002 . . . . . . A 4 VAL HG21 . 31102 1 36 . 1 . 1 4 4 VAL HG22 H 1 0.970 0.002 . . . . . . A 4 VAL HG22 . 31102 1 37 . 1 . 1 4 4 VAL HG23 H 1 0.970 0.002 . . . . . . A 4 VAL HG23 . 31102 1 38 . 1 . 1 4 4 VAL CA C 13 64.980 0.000 . . . . . . A 4 VAL CA . 31102 1 39 . 1 . 1 4 4 VAL CB C 13 35.237 0.001 . . . . . . A 4 VAL CB . 31102 1 40 . 1 . 1 4 4 VAL CG1 C 13 23.053 0.000 . . . . . . A 4 VAL CG1 . 31102 1 41 . 1 . 1 4 4 VAL N N 15 120.682 0.000 . . . . . . A 4 VAL N . 31102 1 42 . 1 . 1 5 5 CYS H H 1 8.490 0.001 . . . . . . A 5 CYS H . 31102 1 43 . 1 . 1 5 5 CYS HA H 1 4.953 0.005 . . . . . . A 5 CYS HA . 31102 1 44 . 1 . 1 5 5 CYS HB2 H 1 2.845 0.002 . . . . . . A 5 CYS HB2 . 31102 1 45 . 1 . 1 5 5 CYS HB3 H 1 2.845 0.002 . . . . . . A 5 CYS HB3 . 31102 1 46 . 1 . 1 5 5 CYS CA C 13 56.897 0.000 . . . . . . A 5 CYS CA . 31102 1 47 . 1 . 1 5 5 CYS CB C 13 42.035 0.040 . . . . . . A 5 CYS CB . 31102 1 48 . 1 . 1 5 5 CYS N N 15 121.649 0.000 . . . . . . A 5 CYS N . 31102 1 49 . 1 . 1 6 6 GLY H H 1 8.117 0.002 . . . . . . A 6 GLY H . 31102 1 50 . 1 . 1 6 6 GLY HA2 H 1 3.739 0.003 . . . . . . A 6 GLY HA2 . 31102 1 51 . 1 . 1 6 6 GLY HA3 H 1 4.199 0.003 . . . . . . A 6 GLY HA3 . 31102 1 52 . 1 . 1 6 6 GLY CA C 13 48.304 0.010 . . . . . . A 6 GLY CA . 31102 1 53 . 1 . 1 6 6 GLY N N 15 108.395 0.000 . . . . . . A 6 GLY N . 31102 1 54 . 1 . 1 7 7 GLU H H 1 8.198 0.003 . . . . . . A 7 GLU H . 31102 1 55 . 1 . 1 7 7 GLU HA H 1 4.454 0.002 . . . . . . A 7 GLU HA . 31102 1 56 . 1 . 1 7 7 GLU HB2 H 1 2.196 0.003 . . . . . . A 7 GLU HB2 . 31102 1 57 . 1 . 1 7 7 GLU HB3 H 1 2.069 0.003 . . . . . . A 7 GLU HB3 . 31102 1 58 . 1 . 1 7 7 GLU HG2 H 1 2.640 0.003 . . . . . . A 7 GLU HG2 . 31102 1 59 . 1 . 1 7 7 GLU HG3 H 1 2.544 0.005 . . . . . . A 7 GLU HG3 . 31102 1 60 . 1 . 1 7 7 GLU CA C 13 58.908 0.000 . . . . . . A 7 GLU CA . 31102 1 61 . 1 . 1 7 7 GLU CB C 13 31.255 0.023 . . . . . . A 7 GLU CB . 31102 1 62 . 1 . 1 7 7 GLU CG C 13 36.237 0.007 . . . . . . A 7 GLU CG . 31102 1 63 . 1 . 1 7 7 GLU N N 15 118.702 0.000 . . . . . . A 7 GLU N . 31102 1 64 . 1 . 1 8 8 THR H H 1 8.416 0.002 . . . . . . A 8 THR H . 31102 1 65 . 1 . 1 8 8 THR HA H 1 4.502 0.004 . . . . . . A 8 THR HA . 31102 1 66 . 1 . 1 8 8 THR HB H 1 4.260 0.002 . . . . . . A 8 THR HB . 31102 1 67 . 1 . 1 8 8 THR HG21 H 1 1.354 0.002 . . . . . . A 8 THR HG1 . 31102 1 68 . 1 . 1 8 8 THR HG22 H 1 1.354 0.002 . . . . . . A 8 THR HG1 . 31102 1 69 . 1 . 1 8 8 THR HG23 H 1 1.354 0.002 . . . . . . A 8 THR HG1 . 31102 1 70 . 1 . 1 8 8 THR CA C 13 65.025 0.000 . . . . . . A 8 THR CA . 31102 1 71 . 1 . 1 8 8 THR CB C 13 72.413 0.000 . . . . . . A 8 THR CB . 31102 1 72 . 1 . 1 8 8 THR CG2 C 13 24.696 0.000 . . . . . . A 8 THR CG2 . 31102 1 73 . 1 . 1 8 8 THR N N 15 114.020 0.000 . . . . . . A 8 THR N . 31102 1 74 . 1 . 1 9 9 CYS H H 1 8.051 0.003 . . . . . . A 9 CYS H . 31102 1 75 . 1 . 1 9 9 CYS HA H 1 4.730 0.008 . . . . . . A 9 CYS HA . 31102 1 76 . 1 . 1 9 9 CYS HB2 H 1 3.059 0.002 . . . . . . A 9 CYS HB2 . 31102 1 77 . 1 . 1 9 9 CYS HB3 H 1 3.059 0.002 . . . . . . A 9 CYS HB3 . 31102 1 78 . 1 . 1 9 9 CYS CA C 13 58.067 0.000 . . . . . . A 9 CYS CA . 31102 1 79 . 1 . 1 9 9 CYS CB C 13 47.481 0.000 . . . . . . A 9 CYS CB . 31102 1 80 . 1 . 1 9 9 CYS N N 15 119.349 0.000 . . . . . . A 9 CYS N . 31102 1 81 . 1 . 1 10 10 VAL H H 1 8.593 0.002 . . . . . . A 10 VAL H . 31102 1 82 . 1 . 1 10 10 VAL HA H 1 4.106 0.003 . . . . . . A 10 VAL HA . 31102 1 83 . 1 . 1 10 10 VAL HB H 1 1.994 0.002 . . . . . . A 10 VAL HB . 31102 1 84 . 1 . 1 10 10 VAL HG11 H 1 0.936 0.009 . . . . . . A 10 VAL HG11 . 31102 1 85 . 1 . 1 10 10 VAL HG12 H 1 0.936 0.009 . . . . . . A 10 VAL HG12 . 31102 1 86 . 1 . 1 10 10 VAL HG13 H 1 0.936 0.009 . . . . . . A 10 VAL HG13 . 31102 1 87 . 1 . 1 10 10 VAL HG21 H 1 0.936 0.009 . . . . . . A 10 VAL HG21 . 31102 1 88 . 1 . 1 10 10 VAL HG22 H 1 0.936 0.009 . . . . . . A 10 VAL HG22 . 31102 1 89 . 1 . 1 10 10 VAL HG23 H 1 0.936 0.009 . . . . . . A 10 VAL HG23 . 31102 1 90 . 1 . 1 10 10 VAL CA C 13 65.782 0.000 . . . . . . A 10 VAL CA . 31102 1 91 . 1 . 1 10 10 VAL CB C 13 35.213 0.027 . . . . . . A 10 VAL CB . 31102 1 92 . 1 . 1 10 10 VAL CG1 C 13 23.437 0.000 . . . . . . A 10 VAL CG1 . 31102 1 93 . 1 . 1 10 10 VAL N N 15 123.528 0.000 . . . . . . A 10 VAL N . 31102 1 94 . 1 . 1 11 11 GLY H H 1 8.973 0.002 . . . . . . A 11 GLY H . 31102 1 95 . 1 . 1 11 11 GLY HA2 H 1 3.882 0.003 . . . . . . A 11 GLY HA2 . 31102 1 96 . 1 . 1 11 11 GLY HA3 H 1 3.972 0.002 . . . . . . A 11 GLY HA3 . 31102 1 97 . 1 . 1 11 11 GLY CA C 13 48.947 0.000 . . . . . . A 11 GLY CA . 31102 1 98 . 1 . 1 11 11 GLY N N 15 115.316 0.000 . . . . . . A 11 GLY N . 31102 1 99 . 1 . 1 12 12 GLY H H 1 8.241 0.002 . . . . . . A 12 GLY H . 31102 1 100 . 1 . 1 12 12 GLY HA2 H 1 3.881 0.001 . . . . . . A 12 GLY HA2 . 31102 1 101 . 1 . 1 12 12 GLY HA3 H 1 4.182 0.001 . . . . . . A 12 GLY HA3 . 31102 1 102 . 1 . 1 12 12 GLY CA C 13 48.047 0.010 . . . . . . A 12 GLY CA . 31102 1 103 . 1 . 1 12 12 GLY N N 15 105.594 0.000 . . . . . . A 12 GLY N . 31102 1 104 . 1 . 1 13 13 THR H H 1 7.729 0.002 . . . . . . A 13 THR H . 31102 1 105 . 1 . 1 13 13 THR HA H 1 4.729 0.009 . . . . . . A 13 THR HA . 31102 1 106 . 1 . 1 13 13 THR HB H 1 4.139 0.005 . . . . . . A 13 THR HB . 31102 1 107 . 1 . 1 13 13 THR HG21 H 1 1.153 0.001 . . . . . . A 13 THR HG1 . 31102 1 108 . 1 . 1 13 13 THR HG22 H 1 1.153 0.001 . . . . . . A 13 THR HG1 . 31102 1 109 . 1 . 1 13 13 THR HG23 H 1 1.153 0.001 . . . . . . A 13 THR HG1 . 31102 1 110 . 1 . 1 13 13 THR CA C 13 63.262 0.000 . . . . . . A 13 THR CA . 31102 1 111 . 1 . 1 13 13 THR CB C 13 74.123 0.000 . . . . . . A 13 THR CB . 31102 1 112 . 1 . 1 13 13 THR CG2 C 13 23.716 0.000 . . . . . . A 13 THR CG2 . 31102 1 113 . 1 . 1 13 13 THR N N 15 113.084 0.000 . . . . . . A 13 THR N . 31102 1 114 . 1 . 1 14 14 CYS H H 1 8.718 0.001 . . . . . . A 14 CYS H . 31102 1 115 . 1 . 1 14 14 CYS HA H 1 4.820 0.009 . . . . . . A 14 CYS HA . 31102 1 116 . 1 . 1 14 14 CYS HB2 H 1 3.203 0.002 . . . . . . A 14 CYS HB2 . 31102 1 117 . 1 . 1 14 14 CYS HB3 H 1 2.853 0.002 . . . . . . A 14 CYS HB3 . 31102 1 118 . 1 . 1 14 14 CYS CA C 13 58.472 0.000 . . . . . . A 14 CYS CA . 31102 1 119 . 1 . 1 14 14 CYS CB C 13 47.689 0.029 . . . . . . A 14 CYS CB . 31102 1 120 . 1 . 1 14 14 CYS N N 15 121.162 0.000 . . . . . . A 14 CYS N . 31102 1 121 . 1 . 1 15 15 ASN H H 1 8.748 0.002 . . . . . . A 15 ASN H . 31102 1 122 . 1 . 1 15 15 ASN HA H 1 4.657 0.004 . . . . . . A 15 ASN HA . 31102 1 123 . 1 . 1 15 15 ASN HB2 H 1 2.831 0.003 . . . . . . A 15 ASN HB2 . 31102 1 124 . 1 . 1 15 15 ASN HB3 H 1 2.837 0.006 . . . . . . A 15 ASN HB3 . 31102 1 125 . 1 . 1 15 15 ASN HD21 H 1 7.603 0.005 . . . . . . A 15 ASN HD21 . 31102 1 126 . 1 . 1 15 15 ASN HD22 H 1 6.865 0.007 . . . . . . A 15 ASN HD22 . 31102 1 127 . 1 . 1 15 15 ASN CA C 13 56.650 0.000 . . . . . . A 15 ASN CA . 31102 1 128 . 1 . 1 15 15 ASN CB C 13 41.463 0.023 . . . . . . A 15 ASN CB . 31102 1 129 . 1 . 1 15 15 ASN N N 15 121.210 0.000 . . . . . . A 15 ASN N . 31102 1 130 . 1 . 1 15 15 ASN ND2 N 15 112.357 0.015 . . . . . . A 15 ASN ND2 . 31102 1 131 . 1 . 1 16 16 THR H H 1 7.695 0.005 . . . . . . A 16 THR H . 31102 1 132 . 1 . 1 16 16 THR HA H 1 4.604 0.005 . . . . . . A 16 THR HA . 31102 1 133 . 1 . 1 16 16 THR HB H 1 3.989 0.002 . . . . . . A 16 THR HB . 31102 1 134 . 1 . 1 16 16 THR HG21 H 1 1.266 0.003 . . . . . . A 16 THR HG1 . 31102 1 135 . 1 . 1 16 16 THR HG22 H 1 1.266 0.003 . . . . . . A 16 THR HG1 . 31102 1 136 . 1 . 1 16 16 THR HG23 H 1 1.266 0.003 . . . . . . A 16 THR HG1 . 31102 1 137 . 1 . 1 16 16 THR CA C 13 62.973 0.000 . . . . . . A 16 THR CA . 31102 1 138 . 1 . 1 16 16 THR CB C 13 73.179 0.000 . . . . . . A 16 THR CB . 31102 1 139 . 1 . 1 16 16 THR CG2 C 13 24.050 0.000 . . . . . . A 16 THR CG2 . 31102 1 140 . 1 . 1 16 16 THR N N 15 117.896 0.000 . . . . . . A 16 THR N . 31102 1 141 . 1 . 1 17 17 PRO HA H 1 4.327 0.002 . . . . . . A 17 PRO HA . 31102 1 142 . 1 . 1 17 17 PRO HB2 H 1 2.336 0.006 . . . . . . A 17 PRO HB2 . 31102 1 143 . 1 . 1 17 17 PRO HB3 H 1 2.123 0.005 . . . . . . A 17 PRO HB3 . 31102 1 144 . 1 . 1 17 17 PRO HG2 H 1 1.994 0.002 . . . . . . A 17 PRO HG2 . 31102 1 145 . 1 . 1 17 17 PRO HG3 H 1 1.898 0.001 . . . . . . A 17 PRO HG3 . 31102 1 146 . 1 . 1 17 17 PRO HD2 H 1 4.089 0.002 . . . . . . A 17 PRO HD2 . 31102 1 147 . 1 . 1 17 17 PRO HD3 H 1 3.721 0.002 . . . . . . A 17 PRO HD3 . 31102 1 148 . 1 . 1 17 17 PRO CA C 13 66.416 0.000 . . . . . . A 17 PRO CA . 31102 1 149 . 1 . 1 17 17 PRO CB C 13 34.637 0.000 . . . . . . A 17 PRO CB . 31102 1 150 . 1 . 1 17 17 PRO CD C 13 54.289 0.010 . . . . . . A 17 PRO CD . 31102 1 151 . 1 . 1 18 18 GLY H H 1 8.734 0.003 . . . . . . A 18 GLY H . 31102 1 152 . 1 . 1 18 18 GLY HA2 H 1 3.714 0.004 . . . . . . A 18 GLY HA2 . 31102 1 153 . 1 . 1 18 18 GLY HA3 H 1 4.237 0.003 . . . . . . A 18 GLY HA3 . 31102 1 154 . 1 . 1 18 18 GLY CA C 13 47.661 0.020 . . . . . . A 18 GLY CA . 31102 1 155 . 1 . 1 18 18 GLY N N 15 110.647 0.000 . . . . . . A 18 GLY N . 31102 1 156 . 1 . 1 19 19 CYS H H 1 7.667 0.003 . . . . . . A 19 CYS H . 31102 1 157 . 1 . 1 19 19 CYS HA H 1 5.333 0.003 . . . . . . A 19 CYS HA . 31102 1 158 . 1 . 1 19 19 CYS HB2 H 1 2.999 0.005 . . . . . . A 19 CYS HB2 . 31102 1 159 . 1 . 1 19 19 CYS HB3 H 1 2.772 0.002 . . . . . . A 19 CYS HB3 . 31102 1 160 . 1 . 1 19 19 CYS CA C 13 56.168 0.000 . . . . . . A 19 CYS CA . 31102 1 161 . 1 . 1 19 19 CYS CB C 13 46.359 0.010 . . . . . . A 19 CYS CB . 31102 1 162 . 1 . 1 19 19 CYS N N 15 117.256 0.000 . . . . . . A 19 CYS N . 31102 1 163 . 1 . 1 20 20 THR H H 1 9.515 0.002 . . . . . . A 20 THR H . 31102 1 164 . 1 . 1 20 20 THR HA H 1 4.590 0.002 . . . . . . A 20 THR HA . 31102 1 165 . 1 . 1 20 20 THR HB H 1 3.977 0.003 . . . . . . A 20 THR HB . 31102 1 166 . 1 . 1 20 20 THR HG21 H 1 1.119 0.002 . . . . . . A 20 THR HG1 . 31102 1 167 . 1 . 1 20 20 THR HG22 H 1 1.119 0.002 . . . . . . A 20 THR HG1 . 31102 1 168 . 1 . 1 20 20 THR HG23 H 1 1.119 0.002 . . . . . . A 20 THR HG1 . 31102 1 169 . 1 . 1 20 20 THR CA C 13 63.369 0.000 . . . . . . A 20 THR CA . 31102 1 170 . 1 . 1 20 20 THR CB C 13 74.040 0.000 . . . . . . A 20 THR CB . 31102 1 171 . 1 . 1 20 20 THR CG2 C 13 23.474 0.000 . . . . . . A 20 THR CG2 . 31102 1 172 . 1 . 1 20 20 THR N N 15 117.926 0.000 . . . . . . A 20 THR N . 31102 1 173 . 1 . 1 21 21 CYS H H 1 8.906 0.002 . . . . . . A 21 CYS H . 31102 1 174 . 1 . 1 21 21 CYS HA H 1 4.546 0.002 . . . . . . A 21 CYS HA . 31102 1 175 . 1 . 1 21 21 CYS HB2 H 1 3.046 0.003 . . . . . . A 21 CYS HB2 . 31102 1 176 . 1 . 1 21 21 CYS HB3 H 1 2.791 0.003 . . . . . . A 21 CYS HB3 . 31102 1 177 . 1 . 1 21 21 CYS CA C 13 59.931 0.000 . . . . . . A 21 CYS CA . 31102 1 178 . 1 . 1 21 21 CYS CB C 13 44.685 0.017 . . . . . . A 21 CYS CB . 31102 1 179 . 1 . 1 21 21 CYS N N 15 125.845 0.000 . . . . . . A 21 CYS N . 31102 1 180 . 1 . 1 22 22 SER H H 1 9.095 0.002 . . . . . . A 22 SER H . 31102 1 181 . 1 . 1 22 22 SER HA H 1 5.071 0.003 . . . . . . A 22 SER HA . 31102 1 182 . 1 . 1 22 22 SER HB2 H 1 3.838 0.004 . . . . . . A 22 SER HB2 . 31102 1 183 . 1 . 1 22 22 SER HB3 H 1 3.758 0.001 . . . . . . A 22 SER HB3 . 31102 1 184 . 1 . 1 22 22 SER CA C 13 57.521 0.000 . . . . . . A 22 SER CA . 31102 1 185 . 1 . 1 22 22 SER CB C 13 66.422 0.000 . . . . . . A 22 SER CB . 31102 1 186 . 1 . 1 22 22 SER N N 15 127.178 0.000 . . . . . . A 22 SER N . 31102 1 187 . 1 . 1 23 23 DPR CA C 13 67.398 0.000 . . . . . . A 23 DPR CA . 31102 1 188 . 1 . 1 23 23 DPR CB C 13 34.187 0.000 . . . . . . A 23 DPR CB . 31102 1 189 . 1 . 1 23 23 DPR CD C 13 53.464 0.011 . . . . . . A 23 DPR CD . 31102 1 190 . 1 . 1 23 23 DPR HA H 1 4.340 0.004 . . . . . . A 23 DPR HA . 31102 1 191 . 1 . 1 23 23 DPR HB2 H 1 2.387 0.002 . . . . . . A 23 DPR HB2 . 31102 1 192 . 1 . 1 23 23 DPR HB3 H 1 2.127 0.000 . . . . . . A 23 DPR HB3 . 31102 1 193 . 1 . 1 23 23 DPR HD2 H 1 3.913 0.002 . . . . . . A 23 DPR HD2 . 31102 1 194 . 1 . 1 23 23 DPR HD3 H 1 3.804 0.003 . . . . . . A 23 DPR HD3 . 31102 1 195 . 1 . 1 23 23 DPR HG2 H 1 2.057 0.003 . . . . . . A 23 DPR HG2 . 31102 1 196 . 1 . 1 23 23 DPR HG3 H 1 1.970 0.003 . . . . . . A 23 DPR HG3 . 31102 1 197 . 1 . 1 24 24 GLY H H 1 7.663 0.004 . . . . . . A 24 GLY H . 31102 1 198 . 1 . 1 24 24 GLY HA2 H 1 3.609 0.002 . . . . . . A 24 GLY HA2 . 31102 1 199 . 1 . 1 24 24 GLY HA3 H 1 4.225 0.009 . . . . . . A 24 GLY HA3 . 31102 1 200 . 1 . 1 24 24 GLY CA C 13 48.427 0.014 . . . . . . A 24 GLY CA . 31102 1 201 . 1 . 1 24 24 GLY N N 15 101.751 0.000 . . . . . . A 24 GLY N . 31102 1 202 . 1 . 1 25 25 VAL H H 1 7.813 0.003 . . . . . . A 25 VAL H . 31102 1 203 . 1 . 1 25 25 VAL HA H 1 4.532 0.004 . . . . . . A 25 VAL HA . 31102 1 204 . 1 . 1 25 25 VAL HB H 1 1.939 0.003 . . . . . . A 25 VAL HB . 31102 1 205 . 1 . 1 25 25 VAL HG11 H 1 0.871 0.004 . . . . . . A 25 VAL HG11 . 31102 1 206 . 1 . 1 25 25 VAL HG12 H 1 0.871 0.004 . . . . . . A 25 VAL HG12 . 31102 1 207 . 1 . 1 25 25 VAL HG13 H 1 0.871 0.004 . . . . . . A 25 VAL HG13 . 31102 1 208 . 1 . 1 25 25 VAL HG21 H 1 0.871 0.004 . . . . . . A 25 VAL HG21 . 31102 1 209 . 1 . 1 25 25 VAL HG22 H 1 0.871 0.004 . . . . . . A 25 VAL HG22 . 31102 1 210 . 1 . 1 25 25 VAL HG23 H 1 0.871 0.004 . . . . . . A 25 VAL HG23 . 31102 1 211 . 1 . 1 25 25 VAL CA C 13 63.420 0.000 . . . . . . A 25 VAL CA . 31102 1 212 . 1 . 1 25 25 VAL CB C 13 38.309 0.003 . . . . . . A 25 VAL CB . 31102 1 213 . 1 . 1 25 25 VAL CG1 C 13 23.572 0.000 . . . . . . A 25 VAL CG1 . 31102 1 214 . 1 . 1 25 25 VAL N N 15 121.024 0.000 . . . . . . A 25 VAL N . 31102 1 215 . 1 . 1 26 26 CYS H H 1 8.889 0.002 . . . . . . A 26 CYS H . 31102 1 216 . 1 . 1 26 26 CYS HA H 1 5.002 0.005 . . . . . . A 26 CYS HA . 31102 1 217 . 1 . 1 26 26 CYS HB2 H 1 2.730 0.006 . . . . . . A 26 CYS HB2 . 31102 1 218 . 1 . 1 26 26 CYS HB3 H 1 3.372 0.003 . . . . . . A 26 CYS HB3 . 31102 1 219 . 1 . 1 26 26 CYS CA C 13 59.267 0.000 . . . . . . A 26 CYS CA . 31102 1 220 . 1 . 1 26 26 CYS CB C 13 46.565 0.004 . . . . . . A 26 CYS CB . 31102 1 221 . 1 . 1 26 26 CYS N N 15 124.845 0.000 . . . . . . A 26 CYS N . 31102 1 222 . 1 . 1 27 27 THR H H 1 9.771 0.003 . . . . . . A 27 THR H . 31102 1 223 . 1 . 1 27 27 THR HA H 1 4.739 0.011 . . . . . . A 27 THR HA . 31102 1 224 . 1 . 1 27 27 THR HB H 1 4.134 0.003 . . . . . . A 27 THR HB . 31102 1 225 . 1 . 1 27 27 THR HG21 H 1 1.223 0.002 . . . . . . A 27 THR HG1 . 31102 1 226 . 1 . 1 27 27 THR HG22 H 1 1.223 0.002 . . . . . . A 27 THR HG1 . 31102 1 227 . 1 . 1 27 27 THR HG23 H 1 1.223 0.002 . . . . . . A 27 THR HG1 . 31102 1 228 . 1 . 1 27 27 THR CA C 13 63.238 0.000 . . . . . . A 27 THR CA . 31102 1 229 . 1 . 1 27 27 THR CB C 13 74.122 0.000 . . . . . . A 27 THR CB . 31102 1 230 . 1 . 1 27 27 THR CG2 C 13 23.544 0.000 . . . . . . A 27 THR CG2 . 31102 1 231 . 1 . 1 27 27 THR N N 15 122.099 0.000 . . . . . . A 27 THR N . 31102 1 232 . 1 . 1 28 28 ARG H H 1 8.629 0.002 . . . . . . A 28 ARG H . 31102 1 233 . 1 . 1 28 28 ARG HA H 1 4.682 0.004 . . . . . . A 28 ARG HA . 31102 1 234 . 1 . 1 28 28 ARG HB2 H 1 1.895 0.003 . . . . . . A 28 ARG HB2 . 31102 1 235 . 1 . 1 28 28 ARG HB3 H 1 1.777 0.003 . . . . . . A 28 ARG HB3 . 31102 1 236 . 1 . 1 28 28 ARG HG2 H 1 1.728 0.003 . . . . . . A 28 ARG HG2 . 31102 1 237 . 1 . 1 28 28 ARG HD2 H 1 3.253 0.001 . . . . . . A 28 ARG HD2 . 31102 1 238 . 1 . 1 28 28 ARG HE H 1 7.274 0.002 . . . . . . A 28 ARG HE . 31102 1 239 . 1 . 1 28 28 ARG CA C 13 59.539 0.000 . . . . . . A 28 ARG CA . 31102 1 240 . 1 . 1 28 28 ARG CB C 13 33.345 0.011 . . . . . . A 28 ARG CB . 31102 1 241 . 1 . 1 28 28 ARG CG C 13 30.026 0.000 . . . . . . A 28 ARG CG . 31102 1 242 . 1 . 1 28 28 ARG CD C 13 46.168 0.000 . . . . . . A 28 ARG CD . 31102 1 243 . 1 . 1 28 28 ARG N N 15 124.834 0.000 . . . . . . A 28 ARG N . 31102 1 244 . 1 . 1 28 28 ARG NE N 15 124.520 0.000 . . . . . . A 28 ARG NE . 31102 1 245 . 1 . 1 29 29 ASN H H 1 8.319 0.002 . . . . . . A 29 ASN H . 31102 1 246 . 1 . 1 29 29 ASN HA H 1 4.549 0.006 . . . . . . A 29 ASN HA . 31102 1 247 . 1 . 1 29 29 ASN HB2 H 1 2.720 0.004 . . . . . . A 29 ASN HB2 . 31102 1 248 . 1 . 1 29 29 ASN HB3 H 1 2.722 0.002 . . . . . . A 29 ASN HB3 . 31102 1 249 . 1 . 1 29 29 ASN HD21 H 1 7.480 0.004 . . . . . . A 29 ASN HD21 . 31102 1 250 . 1 . 1 29 29 ASN HD22 H 1 6.802 0.007 . . . . . . A 29 ASN HD22 . 31102 1 251 . 1 . 1 29 29 ASN CA C 13 56.332 0.000 . . . . . . A 29 ASN CA . 31102 1 252 . 1 . 1 29 29 ASN CB C 13 42.198 0.000 . . . . . . A 29 ASN CB . 31102 1 253 . 1 . 1 29 29 ASN N N 15 126.332 0.000 . . . . . . A 29 ASN N . 31102 1 254 . 1 . 1 29 29 ASN ND2 N 15 111.063 0.002 . . . . . . A 29 ASN ND2 . 31102 1 stop_ save_