################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19593 _Assigned_chem_shift_list.ID 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 $chemical_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' . . . 19593 1 2 '2D 1H-1H NOESY' . . . 19593 1 3 '2D 1H-13C HSQC' . . . 19593 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 4.008 0.000 . . . . . A 1 GLY HA2 . 19593 1 2 . 1 1 1 1 GLY HA3 H 1 3.911 0.007 . . . . . A 1 GLY HA3 . 19593 1 3 . 1 1 1 1 GLY CA C 13 43.752 0.000 . . . . . A 1 GLY CA . 19593 1 4 . 1 1 2 2 THR H H 1 8.575 0.000 . . . . . A 2 THR H . 19593 1 5 . 1 1 2 2 THR HA H 1 4.405 0.000 . . . . . A 2 THR HA . 19593 1 6 . 1 1 2 2 THR HB H 1 4.045 0.005 . . . . . A 2 THR HB . 19593 1 7 . 1 1 2 2 THR HG21 H 1 1.101 0.005 . . . . . A 2 THR HG21 . 19593 1 8 . 1 1 2 2 THR HG22 H 1 1.101 0.005 . . . . . A 2 THR HG22 . 19593 1 9 . 1 1 2 2 THR HG23 H 1 1.101 0.005 . . . . . A 2 THR HG23 . 19593 1 10 . 1 1 2 2 THR CA C 13 61.495 0.000 . . . . . A 2 THR CA . 19593 1 11 . 1 1 2 2 THR CB C 13 70.521 0.000 . . . . . A 2 THR CB . 19593 1 12 . 1 1 2 2 THR CG2 C 13 20.795 0.000 . . . . . A 2 THR CG2 . 19593 1 13 . 1 1 3 3 ASN H H 1 9.143 0.001 . . . . . A 3 ASN H . 19593 1 14 . 1 1 3 3 ASN HA H 1 5.262 0.000 . . . . . A 3 ASN HA . 19593 1 15 . 1 1 3 3 ASN HB2 H 1 2.478 0.007 . . . . . A 3 ASN HB2 . 19593 1 16 . 1 1 3 3 ASN HB3 H 1 2.985 0.004 . . . . . A 3 ASN HB3 . 19593 1 17 . 1 1 3 3 ASN HD21 H 1 7.030 0.004 . . . . . A 3 ASN HD21 . 19593 1 18 . 1 1 3 3 ASN HD22 H 1 7.420 0.004 . . . . . A 3 ASN HD22 . 19593 1 19 . 1 1 3 3 ASN CA C 13 50.550 0.000 . . . . . A 3 ASN CA . 19593 1 20 . 1 1 3 3 ASN CB C 13 37.177 0.000 . . . . . A 3 ASN CB . 19593 1 21 . 1 1 4 4 GLU H H 1 9.480 0.004 . . . . . A 4 GLU H . 19593 1 22 . 1 1 4 4 GLU HA H 1 3.683 0.001 . . . . . A 4 GLU HA . 19593 1 23 . 1 1 4 4 GLU HB2 H 1 1.170 0.006 . . . . . A 4 GLU HB2 . 19593 1 24 . 1 1 4 4 GLU HB3 H 1 1.170 0.006 . . . . . A 4 GLU HB3 . 19593 1 25 . 1 1 4 4 GLU HG2 H 1 2.191 0.005 . . . . . A 4 GLU HG2 . 19593 1 26 . 1 1 4 4 GLU HG3 H 1 2.654 0.005 . . . . . A 4 GLU HG3 . 19593 1 27 . 1 1 4 4 GLU CA C 13 60.432 0.000 . . . . . A 4 GLU CA . 19593 1 28 . 1 1 4 4 GLU CB C 13 27.878 0.000 . . . . . A 4 GLU CB . 19593 1 29 . 1 1 4 4 GLU CG C 13 37.285 0.000 . . . . . A 4 GLU CG . 19593 1 30 . 1 1 5 5 CYS H H 1 7.960 0.000 . . . . . A 5 CYS H . 19593 1 31 . 1 1 5 5 CYS HA H 1 4.106 0.000 . . . . . A 5 CYS HA . 19593 1 32 . 1 1 5 5 CYS HB2 H 1 3.009 0.007 . . . . . A 5 CYS HB2 . 19593 1 33 . 1 1 5 5 CYS HB3 H 1 3.220 0.006 . . . . . A 5 CYS HB3 . 19593 1 34 . 1 1 5 5 CYS CA C 13 53.331 0.000 . . . . . A 5 CYS CA . 19593 1 35 . 1 1 5 5 CYS CB C 13 36.002 0.000 . . . . . A 5 CYS CB . 19593 1 36 . 1 1 6 6 LEU H H 1 7.048 0.000 . . . . . A 6 LEU H . 19593 1 37 . 1 1 6 6 LEU HA H 1 4.118 0.000 . . . . . A 6 LEU HA . 19593 1 38 . 1 1 6 6 LEU HB2 H 1 1.551 0.005 . . . . . A 6 LEU HB2 . 19593 1 39 . 1 1 6 6 LEU HB3 H 1 1.669 0.005 . . . . . A 6 LEU HB3 . 19593 1 40 . 1 1 6 6 LEU HG H 1 1.521 0.010 . . . . . A 6 LEU HG . 19593 1 41 . 1 1 6 6 LEU HD11 H 1 1.009 0.006 . . . . . A 6 LEU HD11 . 19593 1 42 . 1 1 6 6 LEU HD12 H 1 1.009 0.006 . . . . . A 6 LEU HD12 . 19593 1 43 . 1 1 6 6 LEU HD13 H 1 1.009 0.006 . . . . . A 6 LEU HD13 . 19593 1 44 . 1 1 6 6 LEU HD21 H 1 0.805 0.006 . . . . . A 6 LEU HD21 . 19593 1 45 . 1 1 6 6 LEU HD22 H 1 0.805 0.006 . . . . . A 6 LEU HD22 . 19593 1 46 . 1 1 6 6 LEU HD23 H 1 0.805 0.006 . . . . . A 6 LEU HD23 . 19593 1 47 . 1 1 6 6 LEU CA C 13 55.703 0.000 . . . . . A 6 LEU CA . 19593 1 48 . 1 1 6 6 LEU CB C 13 41.047 0.000 . . . . . A 6 LEU CB . 19593 1 49 . 1 1 6 6 LEU CG C 13 26.179 0.000 . . . . . A 6 LEU CG . 19593 1 50 . 1 1 6 6 LEU CD1 C 13 25.193 0.000 . . . . . A 6 LEU CD1 . 19593 1 51 . 1 1 6 6 LEU CD2 C 13 21.165 0.000 . . . . . A 6 LEU CD2 . 19593 1 52 . 1 1 7 7 ASP H H 1 7.126 0.005 . . . . . A 7 ASP H . 19593 1 53 . 1 1 7 7 ASP HA H 1 4.808 0.000 . . . . . A 7 ASP HA . 19593 1 54 . 1 1 7 7 ASP HB2 H 1 2.427 0.006 . . . . . A 7 ASP HB2 . 19593 1 55 . 1 1 7 7 ASP HB3 H 1 2.772 0.006 . . . . . A 7 ASP HB3 . 19593 1 56 . 1 1 7 7 ASP CA C 13 52.216 0.000 . . . . . A 7 ASP CA . 19593 1 57 . 1 1 7 7 ASP CB C 13 40.633 0.010 . . . . . A 7 ASP CB . 19593 1 58 . 1 1 8 8 ASN H H 1 9.264 0.000 . . . . . A 8 ASN H . 19593 1 59 . 1 1 8 8 ASN HA H 1 4.355 0.000 . . . . . A 8 ASN HA . 19593 1 60 . 1 1 8 8 ASN HB2 H 1 2.495 0.006 . . . . . A 8 ASN HB2 . 19593 1 61 . 1 1 8 8 ASN HB3 H 1 2.990 0.005 . . . . . A 8 ASN HB3 . 19593 1 62 . 1 1 8 8 ASN HD21 H 1 6.890 0.005 . . . . . A 8 ASN HD21 . 19593 1 63 . 1 1 8 8 ASN HD22 H 1 7.807 0.006 . . . . . A 8 ASN HD22 . 19593 1 64 . 1 1 8 8 ASN CA C 13 53.784 0.000 . . . . . A 8 ASN CA . 19593 1 65 . 1 1 9 9 ASN H H 1 8.813 0.000 . . . . . A 9 ASN H . 19593 1 66 . 1 1 9 9 ASN HA H 1 4.782 0.001 . . . . . A 9 ASN HA . 19593 1 67 . 1 1 9 9 ASN HB2 H 1 2.399 0.006 . . . . . A 9 ASN HB2 . 19593 1 68 . 1 1 9 9 ASN HB3 H 1 3.247 0.004 . . . . . A 9 ASN HB3 . 19593 1 69 . 1 1 9 9 ASN HD21 H 1 6.666 0.005 . . . . . A 9 ASN HD21 . 19593 1 70 . 1 1 9 9 ASN HD22 H 1 7.097 0.005 . . . . . A 9 ASN HD22 . 19593 1 71 . 1 1 9 9 ASN CA C 13 54.201 0.000 . . . . . A 9 ASN CA . 19593 1 72 . 1 1 9 9 ASN CB C 13 40.118 0.000 . . . . . A 9 ASN CB . 19593 1 73 . 1 1 10 10 GLY H H 1 7.911 0.006 . . . . . A 10 GLY H . 19593 1 74 . 1 1 10 10 GLY HA2 H 1 3.424 0.000 . . . . . A 10 GLY HA2 . 19593 1 75 . 1 1 10 10 GLY HA3 H 1 3.908 0.000 . . . . . A 10 GLY HA3 . 19593 1 76 . 1 1 10 10 GLY CA C 13 45.633 0.000 . . . . . A 10 GLY CA . 19593 1 77 . 1 1 11 11 GLY H H 1 8.404 0.005 . . . . . A 11 GLY H . 19593 1 78 . 1 1 11 11 GLY HA2 H 1 4.213 0.000 . . . . . A 11 GLY HA2 . 19593 1 79 . 1 1 11 11 GLY HA3 H 1 3.774 0.006 . . . . . A 11 GLY HA3 . 19593 1 80 . 1 1 11 11 GLY CA C 13 44.781 0.000 . . . . . A 11 GLY CA . 19593 1 81 . 1 1 12 12 CYS H H 1 8.208 0.003 . . . . . A 12 CYS H . 19593 1 82 . 1 1 12 12 CYS HA H 1 4.842 0.001 . . . . . A 12 CYS HA . 19593 1 83 . 1 1 12 12 CYS HB2 H 1 2.718 0.004 . . . . . A 12 CYS HB2 . 19593 1 84 . 1 1 12 12 CYS HB3 H 1 3.481 0.004 . . . . . A 12 CYS HB3 . 19593 1 85 . 1 1 12 12 CYS CA C 13 56.269 0.000 . . . . . A 12 CYS CA . 19593 1 86 . 1 1 12 12 CYS CB C 13 33.663 0.000 . . . . . A 12 CYS CB . 19593 1 87 . 1 1 13 13 SER H H 1 9.300 0.001 . . . . . A 13 SER H . 19593 1 88 . 1 1 13 13 SER HA H 1 4.176 0.005 . . . . . A 13 SER HA . 19593 1 89 . 1 1 13 13 SER HB2 H 1 3.748 0.006 . . . . . A 13 SER HB2 . 19593 1 90 . 1 1 13 13 SER HB3 H 1 3.748 0.006 . . . . . A 13 SER HB3 . 19593 1 91 . 1 1 13 13 SER CA C 13 60.590 0.000 . . . . . A 13 SER CA . 19593 1 92 . 1 1 13 13 SER CB C 13 62.505 0.000 . . . . . A 13 SER CB . 19593 1 93 . 1 1 14 14 HIS H H 1 8.991 0.004 . . . . . A 14 HIS H . 19593 1 94 . 1 1 14 14 HIS HA H 1 4.914 0.000 . . . . . A 14 HIS HA . 19593 1 95 . 1 1 14 14 HIS HB2 H 1 3.312 0.007 . . . . . A 14 HIS HB2 . 19593 1 96 . 1 1 14 14 HIS HB3 H 1 3.479 0.005 . . . . . A 14 HIS HB3 . 19593 1 97 . 1 1 14 14 HIS HD2 H 1 7.276 0.004 . . . . . A 14 HIS HD2 . 19593 1 98 . 1 1 14 14 HIS HE1 H 1 8.449 0.006 . . . . . A 14 HIS HE1 . 19593 1 99 . 1 1 14 14 HIS CA C 13 52.075 0.000 . . . . . A 14 HIS CA . 19593 1 100 . 1 1 14 14 HIS CB C 13 29.945 0.000 . . . . . A 14 HIS CB . 19593 1 101 . 1 1 15 15 VAL H H 1 7.841 0.005 . . . . . A 15 VAL H . 19593 1 102 . 1 1 15 15 VAL HA H 1 4.239 0.000 . . . . . A 15 VAL HA . 19593 1 103 . 1 1 15 15 VAL HB H 1 1.989 0.007 . . . . . A 15 VAL HB . 19593 1 104 . 1 1 15 15 VAL HG11 H 1 0.862 0.000 . . . . . A 15 VAL HG11 . 19593 1 105 . 1 1 15 15 VAL HG12 H 1 0.862 0.000 . . . . . A 15 VAL HG12 . 19593 1 106 . 1 1 15 15 VAL HG13 H 1 0.862 0.000 . . . . . A 15 VAL HG13 . 19593 1 107 . 1 1 15 15 VAL HG21 H 1 0.842 0.000 . . . . . A 15 VAL HG21 . 19593 1 108 . 1 1 15 15 VAL HG22 H 1 0.842 0.000 . . . . . A 15 VAL HG22 . 19593 1 109 . 1 1 15 15 VAL HG23 H 1 0.842 0.000 . . . . . A 15 VAL HG23 . 19593 1 110 . 1 1 15 15 VAL CA C 13 62.506 0.000 . . . . . A 15 VAL CA . 19593 1 111 . 1 1 15 15 VAL CB C 13 33.468 0.000 . . . . . A 15 VAL CB . 19593 1 112 . 1 1 15 15 VAL CG1 C 13 21.076 0.000 . . . . . A 15 VAL CG1 . 19593 1 113 . 1 1 15 15 VAL CG2 C 13 22.463 0.000 . . . . . A 15 VAL CG2 . 19593 1 114 . 1 1 16 16 CYS H H 1 9.134 0.006 . . . . . A 16 CYS H . 19593 1 115 . 1 1 16 16 CYS HA H 1 5.382 0.006 . . . . . A 16 CYS HA . 19593 1 116 . 1 1 16 16 CYS HB2 H 1 2.506 0.006 . . . . . A 16 CYS HB2 . 19593 1 117 . 1 1 16 16 CYS HB3 H 1 2.777 0.005 . . . . . A 16 CYS HB3 . 19593 1 118 . 1 1 16 16 CYS CA C 13 55.676 0.000 . . . . . A 16 CYS CA . 19593 1 119 . 1 1 16 16 CYS CB C 13 38.073 0.000 . . . . . A 16 CYS CB . 19593 1 120 . 1 1 17 17 ASN H H 1 9.784 0.000 . . . . . A 17 ASN H . 19593 1 121 . 1 1 17 17 ASN HA H 1 5.213 0.000 . . . . . A 17 ASN HA . 19593 1 122 . 1 1 17 17 ASN HB2 H 1 2.425 0.006 . . . . . A 17 ASN HB2 . 19593 1 123 . 1 1 17 17 ASN HB3 H 1 3.047 0.000 . . . . . A 17 ASN HB3 . 19593 1 124 . 1 1 17 17 ASN HD21 H 1 6.906 0.005 . . . . . A 17 ASN HD21 . 19593 1 125 . 1 1 17 17 ASN HD22 H 1 8.655 0.004 . . . . . A 17 ASN HD22 . 19593 1 126 . 1 1 17 17 ASN CA C 13 51.736 0.000 . . . . . A 17 ASN CA . 19593 1 127 . 1 1 17 17 ASN CB C 13 40.682 0.000 . . . . . A 17 ASN CB . 19593 1 128 . 1 1 18 18 ASP H H 1 8.954 0.000 . . . . . A 18 ASP H . 19593 1 129 . 1 1 18 18 ASP HA H 1 4.675 0.000 . . . . . A 18 ASP HA . 19593 1 130 . 1 1 18 18 ASP HB2 H 1 2.406 0.006 . . . . . A 18 ASP HB2 . 19593 1 131 . 1 1 18 18 ASP HB3 H 1 2.800 0.004 . . . . . A 18 ASP HB3 . 19593 1 132 . 1 1 18 18 ASP CA C 13 55.439 0.000 . . . . . A 18 ASP CA . 19593 1 133 . 1 1 18 18 ASP CB C 13 40.946 0.004 . . . . . A 18 ASP CB . 19593 1 134 . 1 1 19 19 LEU H H 1 7.818 0.001 . . . . . A 19 LEU H . 19593 1 135 . 1 1 19 19 LEU HA H 1 4.792 0.000 . . . . . A 19 LEU HA . 19593 1 136 . 1 1 19 19 LEU HB2 H 1 1.292 0.006 . . . . . A 19 LEU HB2 . 19593 1 137 . 1 1 19 19 LEU HB3 H 1 1.435 0.006 . . . . . A 19 LEU HB3 . 19593 1 138 . 1 1 19 19 LEU HG H 1 1.573 0.005 . . . . . A 19 LEU HG . 19593 1 139 . 1 1 19 19 LEU HD11 H 1 0.854 0.008 . . . . . A 19 LEU HD11 . 19593 1 140 . 1 1 19 19 LEU HD12 H 1 0.854 0.008 . . . . . A 19 LEU HD12 . 19593 1 141 . 1 1 19 19 LEU HD13 H 1 0.854 0.008 . . . . . A 19 LEU HD13 . 19593 1 142 . 1 1 19 19 LEU HD21 H 1 0.715 0.006 . . . . . A 19 LEU HD21 . 19593 1 143 . 1 1 19 19 LEU HD22 H 1 0.715 0.006 . . . . . A 19 LEU HD22 . 19593 1 144 . 1 1 19 19 LEU HD23 H 1 0.715 0.006 . . . . . A 19 LEU HD23 . 19593 1 145 . 1 1 19 19 LEU CB C 13 44.670 0.000 . . . . . A 19 LEU CB . 19593 1 146 . 1 1 19 19 LEU CG C 13 26.756 0.000 . . . . . A 19 LEU CG . 19593 1 147 . 1 1 19 19 LEU CD1 C 13 25.219 0.000 . . . . . A 19 LEU CD1 . 19593 1 148 . 1 1 20 20 LYS H H 1 8.846 0.003 . . . . . A 20 LYS H . 19593 1 149 . 1 1 20 20 LYS HA H 1 3.978 0.000 . . . . . A 20 LYS HA . 19593 1 150 . 1 1 20 20 LYS HB2 H 1 1.856 0.006 . . . . . A 20 LYS HB2 . 19593 1 151 . 1 1 20 20 LYS HB3 H 1 1.918 0.006 . . . . . A 20 LYS HB3 . 19593 1 152 . 1 1 20 20 LYS HG2 H 1 1.431 0.005 . . . . . A 20 LYS HG2 . 19593 1 153 . 1 1 20 20 LYS HG3 H 1 1.565 0.006 . . . . . A 20 LYS HG3 . 19593 1 154 . 1 1 20 20 LYS HD2 H 1 1.737 0.006 . . . . . A 20 LYS HD2 . 19593 1 155 . 1 1 20 20 LYS HD3 H 1 1.737 0.006 . . . . . A 20 LYS HD3 . 19593 1 156 . 1 1 20 20 LYS HE2 H 1 3.023 0.003 . . . . . A 20 LYS HE2 . 19593 1 157 . 1 1 20 20 LYS HE3 H 1 3.023 0.003 . . . . . A 20 LYS HE3 . 19593 1 158 . 1 1 20 20 LYS CA C 13 60.201 0.000 . . . . . A 20 LYS CA . 19593 1 159 . 1 1 20 20 LYS CB C 13 31.527 0.000 . . . . . A 20 LYS CB . 19593 1 160 . 1 1 20 20 LYS CG C 13 24.833 0.000 . . . . . A 20 LYS CG . 19593 1 161 . 1 1 20 20 LYS CD C 13 28.712 0.000 . . . . . A 20 LYS CD . 19593 1 162 . 1 1 20 20 LYS CE C 13 41.680 0.000 . . . . . A 20 LYS CE . 19593 1 163 . 1 1 21 21 ILE H H 1 8.010 0.003 . . . . . A 21 ILE H . 19593 1 164 . 1 1 21 21 ILE HA H 1 4.278 0.000 . . . . . A 21 ILE HA . 19593 1 165 . 1 1 21 21 ILE HB H 1 1.861 0.004 . . . . . A 21 ILE HB . 19593 1 166 . 1 1 21 21 ILE HG12 H 1 1.468 0.006 . . . . . A 21 ILE HG12 . 19593 1 167 . 1 1 21 21 ILE HG13 H 1 1.134 0.006 . . . . . A 21 ILE HG13 . 19593 1 168 . 1 1 21 21 ILE HG21 H 1 0.871 0.000 . . . . . A 21 ILE HG21 . 19593 1 169 . 1 1 21 21 ILE HG22 H 1 0.871 0.000 . . . . . A 21 ILE HG22 . 19593 1 170 . 1 1 21 21 ILE HG23 H 1 0.871 0.000 . . . . . A 21 ILE HG23 . 19593 1 171 . 1 1 21 21 ILE HD11 H 1 0.886 0.006 . . . . . A 21 ILE HD11 . 19593 1 172 . 1 1 21 21 ILE HD12 H 1 0.886 0.006 . . . . . A 21 ILE HD12 . 19593 1 173 . 1 1 21 21 ILE HD13 H 1 0.886 0.006 . . . . . A 21 ILE HD13 . 19593 1 174 . 1 1 21 21 ILE CA C 13 60.170 0.000 . . . . . A 21 ILE CA . 19593 1 175 . 1 1 21 21 ILE CB C 13 37.157 0.000 . . . . . A 21 ILE CB . 19593 1 176 . 1 1 21 21 ILE CG1 C 13 26.622 0.000 . . . . . A 21 ILE CG1 . 19593 1 177 . 1 1 21 21 ILE CG2 C 13 16.648 0.000 . . . . . A 21 ILE CG2 . 19593 1 178 . 1 1 22 22 GLY H H 1 8.695 0.000 . . . . . A 22 GLY H . 19593 1 179 . 1 1 22 22 GLY HA2 H 1 3.862 0.005 . . . . . A 22 GLY HA2 . 19593 1 180 . 1 1 22 22 GLY HA3 H 1 4.377 0.000 . . . . . A 22 GLY HA3 . 19593 1 181 . 1 1 22 22 GLY CA C 13 44.887 0.000 . . . . . A 22 GLY CA . 19593 1 182 . 1 1 23 23 TYR H H 1 8.502 0.006 . . . . . A 23 TYR H . 19593 1 183 . 1 1 23 23 TYR HA H 1 4.954 0.005 . . . . . A 23 TYR HA . 19593 1 184 . 1 1 23 23 TYR HB2 H 1 2.952 0.007 . . . . . A 23 TYR HB2 . 19593 1 185 . 1 1 23 23 TYR HB3 H 1 3.744 0.000 . . . . . A 23 TYR HB3 . 19593 1 186 . 1 1 23 23 TYR HD1 H 1 6.828 0.000 . . . . . A 23 TYR HD1 . 19593 1 187 . 1 1 23 23 TYR HD2 H 1 6.828 0.000 . . . . . A 23 TYR HD2 . 19593 1 188 . 1 1 23 23 TYR HE1 H 1 6.866 0.000 . . . . . A 23 TYR HE1 . 19593 1 189 . 1 1 23 23 TYR HE2 H 1 6.866 0.000 . . . . . A 23 TYR HE2 . 19593 1 190 . 1 1 23 23 TYR CB C 13 35.781 0.010 . . . . . A 23 TYR CB . 19593 1 191 . 1 1 24 24 GLU H H 1 9.253 0.000 . . . . . A 24 GLU H . 19593 1 192 . 1 1 24 24 GLU HA H 1 4.706 0.000 . . . . . A 24 GLU HA . 19593 1 193 . 1 1 24 24 GLU HB2 H 1 1.958 0.006 . . . . . A 24 GLU HB2 . 19593 1 194 . 1 1 24 24 GLU HB3 H 1 1.958 0.006 . . . . . A 24 GLU HB3 . 19593 1 195 . 1 1 24 24 GLU HG2 H 1 2.209 0.005 . . . . . A 24 GLU HG2 . 19593 1 196 . 1 1 24 24 GLU HG3 H 1 2.450 0.004 . . . . . A 24 GLU HG3 . 19593 1 197 . 1 1 24 24 GLU CA C 13 53.835 0.000 . . . . . A 24 GLU CA . 19593 1 198 . 1 1 24 24 GLU CB C 13 32.723 0.000 . . . . . A 24 GLU CB . 19593 1 199 . 1 1 24 24 GLU CG C 13 35.252 0.000 . . . . . A 24 GLU CG . 19593 1 200 . 1 1 25 25 CYS H H 1 8.838 0.000 . . . . . A 25 CYS H . 19593 1 201 . 1 1 25 25 CYS HA H 1 5.767 0.000 . . . . . A 25 CYS HA . 19593 1 202 . 1 1 25 25 CYS HB2 H 1 2.712 0.006 . . . . . A 25 CYS HB2 . 19593 1 203 . 1 1 25 25 CYS HB3 H 1 4.017 0.716 . . . . . A 25 CYS HB3 . 19593 1 204 . 1 1 25 25 CYS CA C 13 51.053 0.000 . . . . . A 25 CYS CA . 19593 1 205 . 1 1 25 25 CYS CB C 13 38.286 0.010 . . . . . A 25 CYS CB . 19593 1 206 . 1 1 26 26 LEU H H 1 9.213 0.000 . . . . . A 26 LEU H . 19593 1 207 . 1 1 26 26 LEU HA H 1 4.742 0.000 . . . . . A 26 LEU HA . 19593 1 208 . 1 1 26 26 LEU HB2 H 1 1.620 0.007 . . . . . A 26 LEU HB2 . 19593 1 209 . 1 1 26 26 LEU HB3 H 1 1.620 0.007 . . . . . A 26 LEU HB3 . 19593 1 210 . 1 1 26 26 LEU HG H 1 1.481 0.005 . . . . . A 26 LEU HG . 19593 1 211 . 1 1 26 26 LEU HD11 H 1 0.885 0.007 . . . . . A 26 LEU HD11 . 19593 1 212 . 1 1 26 26 LEU HD12 H 1 0.885 0.007 . . . . . A 26 LEU HD12 . 19593 1 213 . 1 1 26 26 LEU HD13 H 1 0.885 0.007 . . . . . A 26 LEU HD13 . 19593 1 214 . 1 1 26 26 LEU HD21 H 1 0.885 0.007 . . . . . A 26 LEU HD21 . 19593 1 215 . 1 1 26 26 LEU HD22 H 1 0.885 0.007 . . . . . A 26 LEU HD22 . 19593 1 216 . 1 1 26 26 LEU HD23 H 1 0.885 0.007 . . . . . A 26 LEU HD23 . 19593 1 217 . 1 1 26 26 LEU CA C 13 53.558 0.005 . . . . . A 26 LEU CA . 19593 1 218 . 1 1 26 26 LEU CB C 13 43.999 0.005 . . . . . A 26 LEU CB . 19593 1 219 . 1 1 26 26 LEU CG C 13 27.102 0.000 . . . . . A 26 LEU CG . 19593 1 220 . 1 1 26 26 LEU CD1 C 13 22.731 0.000 . . . . . A 26 LEU CD1 . 19593 1 stop_ save_