################################### # 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 30830 _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 1D . . . 30830 1 2 '2D 1H-1H TOCSY' . . . 30830 1 3 '2D 1H-1H NOESY' . . . 30830 1 4 '2D 1H-13C HSQC' . . . 30830 1 5 '2D 1H-1H TOCSY' . . . 30830 1 6 '2D 1H-1H TOCSY' . . . 30830 1 7 '2D 1H-1H TOCSY' . . . 30830 1 8 '2D 1H-1H TOCSY' . . . 30830 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 H H 1 8.320 0.000 . . . . . A A 1 GLY H1 . 30830 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.752 0.000 . . . . . A A 1 GLY HA2 . 30830 1 3 . 1 . 1 1 1 GLY HA3 H 1 4.119 0.000 . . . . . A A 1 GLY HA3 . 30830 1 4 . 1 . 1 2 2 PHE H H 1 7.835 0.000 . . . . . A A 2 PHE H . 30830 1 5 . 1 . 1 2 2 PHE HA H 1 4.657 0.000 . . . . . A A 2 PHE HA . 30830 1 6 . 1 . 1 2 2 PHE HB2 H 1 3.053 0.000 . . . . . A A 2 PHE HB2 . 30830 1 7 . 1 . 1 2 2 PHE HB3 H 1 2.888 0.000 . . . . . A A 2 PHE HB3 . 30830 1 8 . 1 . 1 2 2 PHE HD1 H 1 7.053 0.000 . . . . . A A 2 PHE HD1 . 30830 1 9 . 1 . 1 2 2 PHE HD2 H 1 7.053 0.000 . . . . . A A 2 PHE HD2 . 30830 1 10 . 1 . 1 2 2 PHE HE1 H 1 7.196 0.000 . . . . . A A 2 PHE HE1 . 30830 1 11 . 1 . 1 2 2 PHE HE2 H 1 7.196 0.000 . . . . . A A 2 PHE HE2 . 30830 1 12 . 1 . 1 2 2 PHE HZ H 1 6.983 0.000 . . . . . A A 2 PHE HZ . 30830 1 13 . 1 . 1 2 2 PHE CA C 13 58.015 0.000 . . . . . A A 2 PHE CA . 30830 1 14 . 1 . 1 2 2 PHE CB C 13 38.736 0.000 . . . . . A A 2 PHE CB . 30830 1 15 . 1 . 1 3 3 CYS H H 1 8.175 0.000 . . . . . A A 3 CYS H . 30830 1 16 . 1 . 1 3 3 CYS HA H 1 5.439 0.000 . . . . . A A 3 CYS HA . 30830 1 17 . 1 . 1 3 3 CYS HB2 H 1 2.911 0.000 . . . . . A A 3 CYS HB2 . 30830 1 18 . 1 . 1 3 3 CYS HB3 H 1 2.584 0.000 . . . . . A A 3 CYS HB3 . 30830 1 19 . 1 . 1 3 3 CYS CA C 13 55.005 0.000 . . . . . A A 3 CYS CA . 30830 1 20 . 1 . 1 4 4 TRP H H 1 9.015 0.000 . . . . . A A 4 TRP H . 30830 1 21 . 1 . 1 4 4 TRP HA H 1 4.597 0.000 . . . . . A A 4 TRP HA . 30830 1 22 . 1 . 1 4 4 TRP HB2 H 1 3.159 0.000 . . . . . A A 4 TRP HB2 . 30830 1 23 . 1 . 1 4 4 TRP HB3 H 1 3.003 0.000 . . . . . A A 4 TRP HB3 . 30830 1 24 . 1 . 1 4 4 TRP HD1 H 1 7.234 0.000 . . . . . A A 4 TRP HD1 . 30830 1 25 . 1 . 1 4 4 TRP HE1 H 1 10.404 0.000 . . . . . A A 4 TRP HE1 . 30830 1 26 . 1 . 1 4 4 TRP HE3 H 1 7.463 0.000 . . . . . A A 4 TRP HE3 . 30830 1 27 . 1 . 1 4 4 TRP HZ2 H 1 7.343 0.000 . . . . . A A 4 TRP HZ2 . 30830 1 28 . 1 . 1 4 4 TRP HZ3 H 1 6.969 0.000 . . . . . A A 4 TRP HZ3 . 30830 1 29 . 1 . 1 4 4 TRP HH2 H 1 6.939 0.000 . . . . . A A 4 TRP HH2 . 30830 1 30 . 1 . 1 4 4 TRP CA C 13 57.224 0.000 . . . . . A A 4 TRP CA . 30830 1 31 . 1 . 1 4 4 TRP CB C 13 31.001 0.000 . . . . . A A 4 TRP CB . 30830 1 32 . 1 . 1 5 5 HIS H H 1 8.999 0.000 . . . . . A A 5 HIS H . 30830 1 33 . 1 . 1 5 5 HIS HA H 1 3.663 0.000 . . . . . A A 5 HIS HA . 30830 1 34 . 1 . 1 5 5 HIS HB2 H 1 3.182 0.000 . . . . . A A 5 HIS HB2 . 30830 1 35 . 1 . 1 5 5 HIS HB3 H 1 3.040 0.000 . . . . . A A 5 HIS HB3 . 30830 1 36 . 1 . 1 5 5 HIS HD2 H 1 5.877 0.000 . . . . . A A 5 HIS HD2 . 30830 1 37 . 1 . 1 5 5 HIS CA C 13 56.783 0.000 . . . . . A A 5 HIS CA . 30830 1 38 . 1 . 1 6 6 HIS H H 1 8.716 0.000 . . . . . A A 6 HIS H . 30830 1 39 . 1 . 1 6 6 HIS HA H 1 4.312 0.000 . . . . . A A 6 HIS HA . 30830 1 40 . 1 . 1 6 6 HIS HB2 H 1 3.506 0.000 . . . . . A A 6 HIS HB2 . 30830 1 41 . 1 . 1 6 6 HIS HB3 H 1 3.407 0.000 . . . . . A A 6 HIS HB3 . 30830 1 42 . 1 . 1 6 6 HIS HD2 H 1 7.165 0.000 . . . . . A A 6 HIS HD2 . 30830 1 43 . 1 . 1 6 6 HIS CA C 13 56.582 0.000 . . . . . A A 6 HIS CA . 30830 1 44 . 1 . 1 6 6 HIS CB C 13 26.897 0.000 . . . . . A A 6 HIS CB . 30830 1 45 . 1 . 1 7 7 SER H H 1 8.170 0.000 . . . . . A A 7 SER H . 30830 1 46 . 1 . 1 7 7 SER HA H 1 4.804 0.000 . . . . . A A 7 SER HA . 30830 1 47 . 1 . 1 7 7 SER HB2 H 1 4.069 0.000 . . . . . A A 7 SER HB2 . 30830 1 48 . 1 . 1 7 7 SER HB3 H 1 3.890 0.000 . . . . . A A 7 SER HB3 . 30830 1 49 . 1 . 1 8 8 CYS H H 1 8.702 0.000 . . . . . A A 8 CYS H . 30830 1 50 . 1 . 1 8 8 CYS HA H 1 5.466 0.000 . . . . . A A 8 CYS HA . 30830 1 51 . 1 . 1 8 8 CYS HB2 H 1 2.823 0.000 . . . . . A A 8 CYS HB2 . 30830 1 52 . 1 . 1 8 8 CYS HB3 H 1 2.823 0.000 . . . . . A A 8 CYS HB3 . 30830 1 53 . 1 . 1 8 8 CYS CA C 13 55.140 0.000 . . . . . A A 8 CYS CA . 30830 1 54 . 1 . 1 8 8 CYS CB C 13 33.870 0.000 . . . . . A A 8 CYS CB . 30830 1 55 . 1 . 1 9 9 VAL H H 1 8.771 0.000 . . . . . A A 9 VAL H . 30830 1 56 . 1 . 1 9 9 VAL HA H 1 4.264 0.000 . . . . . A A 9 VAL HA . 30830 1 57 . 1 . 1 9 9 VAL HB H 1 1.735 0.000 . . . . . A A 9 VAL HB . 30830 1 58 . 1 . 1 9 9 VAL HG11 H 1 0.746 0.000 . . . . . A A 9 VAL HG11 . 30830 1 59 . 1 . 1 9 9 VAL HG12 H 1 0.746 0.000 . . . . . A A 9 VAL HG12 . 30830 1 60 . 1 . 1 9 9 VAL HG13 H 1 0.746 0.000 . . . . . A A 9 VAL HG13 . 30830 1 61 . 1 . 1 9 9 VAL HG21 H 1 0.692 0.000 . . . . . A A 9 VAL HG21 . 30830 1 62 . 1 . 1 9 9 VAL HG22 H 1 0.692 0.000 . . . . . A A 9 VAL HG22 . 30830 1 63 . 1 . 1 9 9 VAL HG23 H 1 0.692 0.000 . . . . . A A 9 VAL HG23 . 30830 1 64 . 1 . 1 9 9 VAL CA C 13 59.266 0.000 . . . . . A A 9 VAL CA . 30830 1 65 . 1 . 1 9 9 VAL CB C 13 32.194 0.000 . . . . . A A 9 VAL CB . 30830 1 66 . 1 . 1 10 10 PRO HA H 1 4.483 0.000 . . . . . A A 10 PRO HA . 30830 1 67 . 1 . 1 10 10 PRO HB2 H 1 2.392 0.000 . . . . . A A 10 PRO HB2 . 30830 1 68 . 1 . 1 10 10 PRO HB3 H 1 2.007 0.000 . . . . . A A 10 PRO HB3 . 30830 1 69 . 1 . 1 10 10 PRO HG2 H 1 2.034 0.000 . . . . . A A 10 PRO HG2 . 30830 1 70 . 1 . 1 10 10 PRO HG3 H 1 1.831 0.000 . . . . . A A 10 PRO HG3 . 30830 1 71 . 1 . 1 10 10 PRO HD2 H 1 3.959 0.000 . . . . . A A 10 PRO HD2 . 30830 1 72 . 1 . 1 10 10 PRO HD3 H 1 3.609 0.000 . . . . . A A 10 PRO HD3 . 30830 1 73 . 1 . 1 10 10 PRO CA C 13 62.285 0.000 . . . . . A A 10 PRO CA . 30830 1 74 . 1 . 1 10 10 PRO CB C 13 32.371 0.000 . . . . . A A 10 PRO CB . 30830 1 75 . 1 . 1 11 11 SER H H 1 8.832 0.000 . . . . . A A 11 SER H . 30830 1 76 . 1 . 1 11 11 SER HA H 1 4.129 0.000 . . . . . A A 11 SER HA . 30830 1 77 . 1 . 1 11 11 SER HB2 H 1 3.903 0.000 . . . . . A A 11 SER HB2 . 30830 1 78 . 1 . 1 11 11 SER HB3 H 1 3.867 0.000 . . . . . A A 11 SER HB3 . 30830 1 79 . 1 . 1 11 11 SER CA C 13 59.651 0.000 . . . . . A A 11 SER CA . 30830 1 80 . 1 . 1 11 11 SER CB C 13 62.836 0.000 . . . . . A A 11 SER CB . 30830 1 81 . 1 . 1 12 12 GLY H H 1 8.685 0.000 . . . . . A A 12 GLY H . 30830 1 82 . 1 . 1 12 12 GLY HA2 H 1 3.715 0.000 . . . . . A A 12 GLY HA2 . 30830 1 83 . 1 . 1 12 12 GLY HA3 H 1 4.377 0.000 . . . . . A A 12 GLY HA3 . 30830 1 84 . 1 . 1 13 13 THR H H 1 8.567 0.000 . . . . . A A 13 THR H . 30830 1 85 . 1 . 1 13 13 THR HA H 1 4.156 0.000 . . . . . A A 13 THR HA . 30830 1 86 . 1 . 1 13 13 THR HB H 1 4.129 0.000 . . . . . A A 13 THR HB . 30830 1 87 . 1 . 1 13 13 THR HG21 H 1 1.238 0.000 . . . . . A A 13 THR HG21 . 30830 1 88 . 1 . 1 13 13 THR HG22 H 1 1.238 0.000 . . . . . A A 13 THR HG22 . 30830 1 89 . 1 . 1 13 13 THR HG23 H 1 1.238 0.000 . . . . . A A 13 THR HG23 . 30830 1 90 . 1 . 1 13 13 THR CA C 13 64.197 0.000 . . . . . A A 13 THR CA . 30830 1 91 . 1 . 1 14 14 CYS H H 1 8.604 0.000 . . . . . A A 14 CYS H . 30830 1 92 . 1 . 1 14 14 CYS HA H 1 5.546 0.000 . . . . . A A 14 CYS HA . 30830 1 93 . 1 . 1 14 14 CYS HB2 H 1 3.076 0.000 . . . . . A A 14 CYS HB2 . 30830 1 94 . 1 . 1 14 14 CYS HB3 H 1 2.354 0.000 . . . . . A A 14 CYS HB3 . 30830 1 95 . 1 . 1 14 14 CYS CA C 13 55.262 0.000 . . . . . A A 14 CYS CA . 30830 1 96 . 1 . 1 15 15 ALA H H 1 8.872 0.000 . . . . . A A 15 ALA H . 30830 1 97 . 1 . 1 15 15 ALA HA H 1 4.423 0.000 . . . . . A A 15 ALA HA . 30830 1 98 . 1 . 1 15 15 ALA HB1 H 1 0.778 0.000 . . . . . A A 15 ALA HB1 . 30830 1 99 . 1 . 1 15 15 ALA HB2 H 1 0.778 0.000 . . . . . A A 15 ALA HB2 . 30830 1 100 . 1 . 1 15 15 ALA HB3 H 1 0.778 0.000 . . . . . A A 15 ALA HB3 . 30830 1 101 . 1 . 1 15 15 ALA CA C 13 50.608 0.000 . . . . . A A 15 ALA CA . 30830 1 102 . 1 . 1 15 15 ALA CB C 13 21.881 0.000 . . . . . A A 15 ALA CB . 30830 1 103 . 1 . 1 16 16 ASP H H 1 8.767 0.000 . . . . . A A 16 ASP H . 30830 1 104 . 1 . 1 16 16 ASP HA H 1 4.810 0.000 . . . . . A A 16 ASP HA . 30830 1 105 . 1 . 1 16 16 ASP HB2 H 1 2.855 0.000 . . . . . A A 16 ASP HB2 . 30830 1 106 . 1 . 1 16 16 ASP HB3 H 1 2.743 0.000 . . . . . A A 16 ASP HB3 . 30830 1 107 . 1 . 1 16 16 ASP CB C 13 37.309 0.000 . . . . . A A 16 ASP CB . 30830 1 108 . 1 . 1 17 17 PHE H H 1 7.604 0.000 . . . . . A A 17 PHE H . 30830 1 109 . 1 . 1 17 17 PHE HA H 1 4.564 0.000 . . . . . A A 17 PHE HA . 30830 1 110 . 1 . 1 17 17 PHE HB2 H 1 3.513 0.000 . . . . . A A 17 PHE HB2 . 30830 1 111 . 1 . 1 17 17 PHE HB3 H 1 2.947 0.000 . . . . . A A 17 PHE HB3 . 30830 1 112 . 1 . 1 17 17 PHE HD1 H 1 7.305 0.000 . . . . . A A 17 PHE HD1 . 30830 1 113 . 1 . 1 17 17 PHE HD2 H 1 7.305 0.000 . . . . . A A 17 PHE HD2 . 30830 1 114 . 1 . 1 17 17 PHE HE1 H 1 7.146 0.000 . . . . . A A 17 PHE HE1 . 30830 1 115 . 1 . 1 17 17 PHE HE2 H 1 7.146 0.000 . . . . . A A 17 PHE HE2 . 30830 1 116 . 1 . 1 17 17 PHE HZ H 1 7.072 0.000 . . . . . A A 17 PHE HZ . 30830 1 117 . 1 . 1 17 17 PHE CA C 13 56.776 0.000 . . . . . A A 17 PHE CA . 30830 1 118 . 1 . 1 18 18 PRO HA H 1 4.643 0.000 . . . . . A A 18 PRO HA . 30830 1 119 . 1 . 1 18 18 PRO HB2 H 1 2.638 0.000 . . . . . A A 18 PRO HB2 . 30830 1 120 . 1 . 1 18 18 PRO HB3 H 1 2.018 0.000 . . . . . A A 18 PRO HB3 . 30830 1 121 . 1 . 1 18 18 PRO HG2 H 1 2.195 0.000 . . . . . A A 18 PRO HG2 . 30830 1 122 . 1 . 1 18 18 PRO HG3 H 1 2.112 0.000 . . . . . A A 18 PRO HG3 . 30830 1 123 . 1 . 1 18 18 PRO HD2 H 1 4.000 0.000 . . . . . A A 18 PRO HD2 . 30830 1 124 . 1 . 1 18 18 PRO HD3 H 1 3.613 0.000 . . . . . A A 18 PRO HD3 . 30830 1 125 . 1 . 1 18 18 PRO CA C 13 62.116 0.000 . . . . . A A 18 PRO CA . 30830 1 126 . 1 . 1 18 18 PRO CB C 13 31.733 0.000 . . . . . A A 18 PRO CB . 30830 1 127 . 1 . 1 19 19 TRP H H 1 9.005 0.000 . . . . . A A 19 TRP H . 30830 1 128 . 1 . 1 19 19 TRP HA H 1 4.192 0.000 . . . . . A A 19 TRP HA . 30830 1 129 . 1 . 1 19 19 TRP HB2 H 1 3.435 0.000 . . . . . A A 19 TRP HB2 . 30830 1 130 . 1 . 1 19 19 TRP HB3 H 1 3.287 0.000 . . . . . A A 19 TRP HB3 . 30830 1 131 . 1 . 1 19 19 TRP HD1 H 1 7.439 0.000 . . . . . A A 19 TRP HD1 . 30830 1 132 . 1 . 1 19 19 TRP HE1 H 1 10.917 0.000 . . . . . A A 19 TRP HE1 . 30830 1 133 . 1 . 1 19 19 TRP HE3 H 1 7.464 0.000 . . . . . A A 19 TRP HE3 . 30830 1 134 . 1 . 1 19 19 TRP HZ2 H 1 7.584 0.000 . . . . . A A 19 TRP HZ2 . 30830 1 135 . 1 . 1 19 19 TRP HZ3 H 1 6.949 0.000 . . . . . A A 19 TRP HZ3 . 30830 1 136 . 1 . 1 19 19 TRP HH2 H 1 7.133 0.000 . . . . . A A 19 TRP HH2 . 30830 1 137 . 1 . 1 19 19 TRP CA C 13 57.489 0.000 . . . . . A A 19 TRP CA . 30830 1 138 . 1 . 1 20 20 PRO HA H 1 3.157 0.000 . . . . . A A 20 PRO HA . 30830 1 139 . 1 . 1 20 20 PRO HB2 H 1 1.469 0.000 . . . . . A A 20 PRO HB2 . 30830 1 140 . 1 . 1 20 20 PRO HB3 H 1 -0.151 0.000 . . . . . A A 20 PRO HB3 . 30830 1 141 . 1 . 1 20 20 PRO HG2 H 1 1.049 0.000 . . . . . A A 20 PRO HG2 . 30830 1 142 . 1 . 1 20 20 PRO HD2 H 1 3.136 0.000 . . . . . A A 20 PRO HD2 . 30830 1 143 . 1 . 1 20 20 PRO HD3 H 1 3.085 0.000 . . . . . A A 20 PRO HD3 . 30830 1 144 . 1 . 1 20 20 PRO CA C 13 62.051 0.000 . . . . . A A 20 PRO CA . 30830 1 145 . 1 . 1 21 21 LEU H H 1 8.228 0.000 . . . . . A A 21 LEU H . 30830 1 146 . 1 . 1 21 21 LEU HA H 1 4.014 0.000 . . . . . A A 21 LEU HA . 30830 1 147 . 1 . 1 21 21 LEU HB2 H 1 1.722 0.000 . . . . . A A 21 LEU HB2 . 30830 1 148 . 1 . 1 21 21 LEU HB3 H 1 1.389 0.000 . . . . . A A 21 LEU HB3 . 30830 1 149 . 1 . 1 21 21 LEU HG H 1 1.018 0.000 . . . . . A A 21 LEU HG . 30830 1 150 . 1 . 1 21 21 LEU HD11 H 1 0.580 0.000 . . . . . A A 21 LEU HD11 . 30830 1 151 . 1 . 1 21 21 LEU HD12 H 1 0.580 0.000 . . . . . A A 21 LEU HD12 . 30830 1 152 . 1 . 1 21 21 LEU HD13 H 1 0.580 0.000 . . . . . A A 21 LEU HD13 . 30830 1 153 . 1 . 1 21 21 LEU HD21 H 1 0.448 0.000 . . . . . A A 21 LEU HD21 . 30830 1 154 . 1 . 1 21 21 LEU HD22 H 1 0.448 0.000 . . . . . A A 21 LEU HD22 . 30830 1 155 . 1 . 1 21 21 LEU HD23 H 1 0.448 0.000 . . . . . A A 21 LEU HD23 . 30830 1 156 . 1 . 1 21 21 LEU CA C 13 57.140 0.000 . . . . . A A 21 LEU CA . 30830 1 157 . 1 . 1 21 21 LEU CB C 13 42.657 0.000 . . . . . A A 21 LEU CB . 30830 1 158 . 1 . 1 22 22 GLY H H 1 6.872 0.000 . . . . . A A 22 GLY H . 30830 1 159 . 1 . 1 22 22 GLY HA2 H 1 3.977 0.000 . . . . . A A 22 GLY HA2 . 30830 1 160 . 1 . 1 22 22 GLY HA3 H 1 3.848 0.000 . . . . . A A 22 GLY HA3 . 30830 1 161 . 1 . 1 22 22 GLY CA C 13 45.393 0.003 . . . . . A A 22 GLY CA . 30830 1 162 . 1 . 1 23 23 HIS H H 1 8.544 0.000 . . . . . A A 23 HIS H . 30830 1 163 . 1 . 1 23 23 HIS HA H 1 5.131 0.000 . . . . . A A 23 HIS HA . 30830 1 164 . 1 . 1 23 23 HIS HB2 H 1 3.219 0.000 . . . . . A A 23 HIS HB2 . 30830 1 165 . 1 . 1 23 23 HIS HB3 H 1 3.173 0.000 . . . . . A A 23 HIS HB3 . 30830 1 166 . 1 . 1 23 23 HIS HD2 H 1 7.252 0.000 . . . . . A A 23 HIS HD2 . 30830 1 167 . 1 . 1 23 23 HIS HE1 H 1 8.600 0.000 . . . . . A A 23 HIS HE1 . 30830 1 168 . 1 . 1 23 23 HIS CA C 13 56.480 0.000 . . . . . A A 23 HIS CA . 30830 1 169 . 1 . 1 23 23 HIS CB C 13 28.008 0.000 . . . . . A A 23 HIS CB . 30830 1 170 . 1 . 1 24 24 GLN H H 1 8.661 0.000 . . . . . A A 24 GLN H . 30830 1 171 . 1 . 1 24 24 GLN HA H 1 4.547 0.000 . . . . . A A 24 GLN HA . 30830 1 172 . 1 . 1 24 24 GLN HB2 H 1 1.633 0.000 . . . . . A A 24 GLN HB2 . 30830 1 173 . 1 . 1 24 24 GLN HB3 H 1 2.010 0.000 . . . . . A A 24 GLN HB3 . 30830 1 174 . 1 . 1 24 24 GLN HG2 H 1 2.405 0.000 . . . . . A A 24 GLN HG2 . 30830 1 175 . 1 . 1 24 24 GLN HG3 H 1 1.822 0.000 . . . . . A A 24 GLN HG3 . 30830 1 176 . 1 . 1 24 24 GLN HE21 H 1 7.495 0.000 . . . . . A A 24 GLN HE21 . 30830 1 177 . 1 . 1 24 24 GLN HE22 H 1 6.694 0.000 . . . . . A A 24 GLN HE22 . 30830 1 178 . 1 . 1 24 24 GLN CA C 13 53.664 0.000 . . . . . A A 24 GLN CA . 30830 1 179 . 1 . 1 24 24 GLN CB C 13 26.836 0.000 . . . . . A A 24 GLN CB . 30830 1 180 . 1 . 1 25 25 CYS H H 1 8.426 0.000 . . . . . A A 25 CYS H . 30830 1 181 . 1 . 1 25 25 CYS HA H 1 5.266 0.000 . . . . . A A 25 CYS HA . 30830 1 182 . 1 . 1 25 25 CYS HB2 H 1 2.796 0.000 . . . . . A A 25 CYS HB2 . 30830 1 183 . 1 . 1 25 25 CYS HB3 H 1 2.772 0.000 . . . . . A A 25 CYS HB3 . 30830 1 184 . 1 . 1 25 25 CYS CB C 13 47.491 0.000 . . . . . A A 25 CYS CB . 30830 1 185 . 1 . 1 26 26 PHE H H 1 8.610 0.000 . . . . . A A 26 PHE H . 30830 1 186 . 1 . 1 26 26 PHE HA H 1 4.790 0.000 . . . . . A A 26 PHE HA . 30830 1 187 . 1 . 1 26 26 PHE HB2 H 1 3.076 0.000 . . . . . A A 26 PHE HB2 . 30830 1 188 . 1 . 1 26 26 PHE HB3 H 1 3.012 0.000 . . . . . A A 26 PHE HB3 . 30830 1 189 . 1 . 1 26 26 PHE HD1 H 1 7.192 0.000 . . . . . A A 26 PHE HD1 . 30830 1 190 . 1 . 1 26 26 PHE HD2 H 1 7.192 0.000 . . . . . A A 26 PHE HD2 . 30830 1 191 . 1 . 1 26 26 PHE HE1 H 1 7.052 0.000 . . . . . A A 26 PHE HE1 . 30830 1 192 . 1 . 1 26 26 PHE HE2 H 1 7.052 0.000 . . . . . A A 26 PHE HE2 . 30830 1 193 . 1 . 1 26 26 PHE HZ H 1 6.975 0.000 . . . . . A A 26 PHE HZ . 30830 1 194 . 1 . 1 27 27 PRO HA H 1 4.377 0.000 . . . . . A A 27 PRO HA . 30830 1 195 . 1 . 1 27 27 PRO HB2 H 1 2.398 0.000 . . . . . A A 27 PRO HB2 . 30830 1 196 . 1 . 1 27 27 PRO HB3 H 1 1.994 0.000 . . . . . A A 27 PRO HB3 . 30830 1 197 . 1 . 1 27 27 PRO HG2 H 1 2.058 0.000 . . . . . A A 27 PRO HG2 . 30830 1 198 . 1 . 1 27 27 PRO HG3 H 1 2.037 0.000 . . . . . A A 27 PRO HG3 . 30830 1 199 . 1 . 1 27 27 PRO HD2 H 1 3.651 0.000 . . . . . A A 27 PRO HD2 . 30830 1 200 . 1 . 1 27 27 PRO HD3 H 1 3.733 0.000 . . . . . A A 27 PRO HD3 . 30830 1 201 . 1 . 1 27 27 PRO CA C 13 64.010 0.000 . . . . . A A 27 PRO CA . 30830 1 202 . 1 . 1 27 27 PRO CB C 13 31.806 0.006 . . . . . A A 27 PRO CB . 30830 1 203 . 1 . 1 27 27 PRO CD C 13 50.296 0.000 . . . . . A A 27 PRO CD . 30830 1 204 . 1 . 1 28 28 ASP H H 1 8.717 0.000 . . . . . A A 28 ASP H . 30830 1 205 . 1 . 1 28 28 ASP HA H 1 5.012 0.000 . . . . . A A 28 ASP HA . 30830 1 206 . 1 . 1 28 28 ASP HB2 H 1 3.035 0.000 . . . . . A A 28 ASP HB2 . 30830 1 207 . 1 . 1 28 28 ASP HB3 H 1 2.854 0.000 . . . . . A A 28 ASP HB3 . 30830 1 stop_ save_