################################### # 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 30409 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 NOESY' . . . 30409 1 2 '2D 1H-1H TOCSY' . . . 30409 1 3 '2D 1H-15N HSQC' . . . 30409 1 4 '2D 1H-13C HSQC' . . . 30409 1 5 '2D 1H-1H NOESY' . . . 30409 1 6 '2D 1H-1H TOCSY' . . . 30409 1 7 '2D 1H-1H ECOSY' . . . 30409 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.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 ASP HA H 1 4.243 0.000 . . . . . . A 1 ASP HA . 30409 1 2 . 1 1 1 1 ASP HB2 H 1 2.767 0.000 . . . . . . A 1 ASP HB2 . 30409 1 3 . 1 1 1 1 ASP HB3 H 1 2.613 0.000 . . . . . . A 1 ASP HB3 . 30409 1 4 . 1 1 1 1 ASP CA C 13 53.393 0.000 . . . . . . A 1 ASP CA . 30409 1 5 . 1 1 1 1 ASP CB C 13 39.977 0.000 . . . . . . A 1 ASP CB . 30409 1 6 . 1 1 2 2 VAL HA H 1 4.140 0.000 . . . . . . A 2 VAL HA . 30409 1 7 . 1 1 2 2 VAL HB H 1 2.010 0.002 . . . . . . A 2 VAL HB . 30409 1 8 . 1 1 2 2 VAL CA C 13 62.179 0.000 . . . . . . A 2 VAL CA . 30409 1 9 . 1 1 2 2 VAL CB C 13 32.977 0.000 . . . . . . A 2 VAL CB . 30409 1 10 . 1 1 2 2 VAL N N 15 119.591 0.000 . . . . . . A 2 VAL N . 30409 1 11 . 1 1 3 3 SER HA H 1 4.712 0.000 . . . . . . A 3 SER HA . 30409 1 12 . 1 1 3 3 SER HB2 H 1 3.824 0.002 . . . . . . A 3 SER HB2 . 30409 1 13 . 1 1 3 3 SER HB3 H 1 3.767 0.002 . . . . . . A 3 SER HB3 . 30409 1 14 . 1 1 3 3 SER CA C 13 56.449 0.000 . . . . . . A 3 SER CA . 30409 1 15 . 1 1 3 3 SER CB C 13 63.495 0.000 . . . . . . A 3 SER CB . 30409 1 16 . 1 1 3 3 SER N N 15 121.461 0.000 . . . . . . A 3 SER N . 30409 1 17 . 1 1 4 4 PRO HA H 1 4.344 0.000 . . . . . . A 4 PRO HA . 30409 1 18 . 1 1 4 4 PRO HB2 H 1 2.210 0.002 . . . . . . A 4 PRO HB2 . 30409 1 19 . 1 1 4 4 PRO HB3 H 1 1.858 0.000 . . . . . . A 4 PRO HB3 . 30409 1 20 . 1 1 4 4 PRO HG2 H 1 1.977 0.002 . . . . . . A 4 PRO HG2 . 30409 1 21 . 1 1 4 4 PRO HG3 H 1 1.977 0.002 . . . . . . A 4 PRO HG3 . 30409 1 22 . 1 1 4 4 PRO HD2 H 1 3.781 0.002 . . . . . . A 4 PRO HD2 . 30409 1 23 . 1 1 4 4 PRO HD3 H 1 3.716 0.002 . . . . . . A 4 PRO HD3 . 30409 1 24 . 1 1 4 4 PRO CA C 13 63.402 0.000 . . . . . . A 4 PRO CA . 30409 1 25 . 1 1 4 4 PRO CB C 13 32.266 0.000 . . . . . . A 4 PRO CB . 30409 1 26 . 1 1 4 4 PRO CG C 13 27.405 0.000 . . . . . . A 4 PRO CG . 30409 1 27 . 1 1 5 5 CYS HA H 1 5.075 0.002 . . . . . . A 5 CYS HA . 30409 1 28 . 1 1 5 5 CYS HB2 H 1 3.093 0.002 . . . . . . A 5 CYS HB2 . 30409 1 29 . 1 1 5 5 CYS HB3 H 1 2.575 0.003 . . . . . . A 5 CYS HB3 . 30409 1 30 . 1 1 5 5 CYS CA C 13 54.800 0.000 . . . . . . A 5 CYS CA . 30409 1 31 . 1 1 5 5 CYS CB C 13 37.266 0.000 . . . . . . A 5 CYS CB . 30409 1 32 . 1 1 5 5 CYS N N 15 118.203 0.000 . . . . . . A 5 CYS N . 30409 1 33 . 1 1 6 6 PHE HA H 1 4.925 0.000 . . . . . . A 6 PHE HA . 30409 1 34 . 1 1 6 6 PHE HB2 H 1 3.039 0.002 . . . . . . A 6 PHE HB2 . 30409 1 35 . 1 1 6 6 PHE HB3 H 1 3.039 0.002 . . . . . . A 6 PHE HB3 . 30409 1 36 . 1 1 6 6 PHE HD1 H 1 7.205 0.000 . . . . . . A 6 PHE HD1 . 30409 1 37 . 1 1 6 6 PHE HD2 H 1 7.205 0.000 . . . . . . A 6 PHE HD2 . 30409 1 38 . 1 1 6 6 PHE HE1 H 1 7.255 0.001 . . . . . . A 6 PHE HE1 . 30409 1 39 . 1 1 6 6 PHE HE2 H 1 7.255 0.001 . . . . . . A 6 PHE HE2 . 30409 1 40 . 1 1 6 6 PHE CA C 13 56.832 0.000 . . . . . . A 6 PHE CA . 30409 1 41 . 1 1 6 6 PHE CB C 13 41.481 0.000 . . . . . . A 6 PHE CB . 30409 1 42 . 1 1 6 6 PHE N N 15 129.223 0.000 . . . . . . A 6 PHE N . 30409 1 43 . 1 1 7 7 CYS HA H 1 5.459 0.004 . . . . . . A 7 CYS HA . 30409 1 44 . 1 1 7 7 CYS HB2 H 1 2.927 0.005 . . . . . . A 7 CYS HB2 . 30409 1 45 . 1 1 7 7 CYS HB3 H 1 2.439 0.004 . . . . . . A 7 CYS HB3 . 30409 1 46 . 1 1 7 7 CYS CA C 13 55.421 0.000 . . . . . . A 7 CYS CA . 30409 1 47 . 1 1 7 7 CYS CB C 13 48.822 0.000 . . . . . . A 7 CYS CB . 30409 1 48 . 1 1 7 7 CYS N N 15 124.124 0.000 . . . . . . A 7 CYS N . 30409 1 49 . 1 1 8 8 VAL HA H 1 4.243 0.000 . . . . . . A 8 VAL HA . 30409 1 50 . 1 1 8 8 VAL HB H 1 1.937 0.002 . . . . . . A 8 VAL HB . 30409 1 51 . 1 1 8 8 VAL CA C 13 60.504 0.000 . . . . . . A 8 VAL CA . 30409 1 52 . 1 1 8 8 VAL CB C 13 34.977 0.000 . . . . . . A 8 VAL CB . 30409 1 53 . 1 1 8 8 VAL N N 15 119.761 0.000 . . . . . . A 8 VAL N . 30409 1 54 . 1 1 9 9 GLU HA H 1 4.712 0.000 . . . . . . A 9 GLU HA . 30409 1 55 . 1 1 9 9 GLU HB2 H 1 1.804 0.003 . . . . . . A 9 GLU HB2 . 30409 1 56 . 1 1 9 9 GLU HB3 H 1 1.751 0.003 . . . . . . A 9 GLU HB3 . 30409 1 57 . 1 1 9 9 GLU HG2 H 1 1.993 0.003 . . . . . . A 9 GLU HG2 . 30409 1 58 . 1 1 9 9 GLU HG3 H 1 1.993 0.003 . . . . . . A 9 GLU HG3 . 30409 1 59 . 1 1 9 9 GLU CA C 13 54.921 0.000 . . . . . . A 9 GLU CA . 30409 1 60 . 1 1 9 9 GLU CB C 13 31.362 0.000 . . . . . . A 9 GLU CB . 30409 1 61 . 1 1 9 9 GLU CG C 13 35.646 0.000 . . . . . . A 9 GLU CG . 30409 1 62 . 1 1 9 9 GLU N N 15 124.266 0.000 . . . . . . A 9 GLU N . 30409 1 63 . 1 1 10 10 ASP HA H 1 4.596 0.000 . . . . . . A 10 ASP HA . 30409 1 64 . 1 1 10 10 ASP HB2 H 1 2.906 0.003 . . . . . . A 10 ASP HB2 . 30409 1 65 . 1 1 10 10 ASP HB3 H 1 2.569 0.002 . . . . . . A 10 ASP HB3 . 30409 1 66 . 1 1 10 10 ASP CA C 13 54.004 0.000 . . . . . . A 10 ASP CA . 30409 1 67 . 1 1 10 10 ASP CB C 13 42.553 0.000 . . . . . . A 10 ASP CB . 30409 1 68 . 1 1 10 10 ASP N N 15 125.512 0.000 . . . . . . A 10 ASP N . 30409 1 69 . 1 1 11 11 GLU HA H 1 4.052 0.001 . . . . . . A 11 GLU HA . 30409 1 70 . 1 1 11 11 GLU HB2 H 1 2.069 0.002 . . . . . . A 11 GLU HB2 . 30409 1 71 . 1 1 11 11 GLU HB3 H 1 2.017 0.005 . . . . . . A 11 GLU HB3 . 30409 1 72 . 1 1 11 11 GLU HG2 H 1 2.327 0.002 . . . . . . A 11 GLU HG2 . 30409 1 73 . 1 1 11 11 GLU HG3 H 1 2.327 0.002 . . . . . . A 11 GLU HG3 . 30409 1 74 . 1 1 11 11 GLU CA C 13 58.818 0.000 . . . . . . A 11 GLU CA . 30409 1 75 . 1 1 11 11 GLU CB C 13 29.573 0.000 . . . . . . A 11 GLU CB . 30409 1 76 . 1 1 11 11 GLU CG C 13 35.959 0.000 . . . . . . A 11 GLU CG . 30409 1 77 . 1 1 11 11 GLU N N 15 126.192 0.000 . . . . . . A 11 GLU N . 30409 1 78 . 1 1 12 12 THR HA H 1 4.154 0.000 . . . . . . A 12 THR HA . 30409 1 79 . 1 1 12 12 THR HB H 1 4.197 0.000 . . . . . . A 12 THR HB . 30409 1 80 . 1 1 12 12 THR HG21 H 1 1.170 0.002 . . . . . . A 12 THR HG21 . 30409 1 81 . 1 1 12 12 THR HG22 H 1 1.170 0.002 . . . . . . A 12 THR HG22 . 30409 1 82 . 1 1 12 12 THR HG23 H 1 1.170 0.002 . . . . . . A 12 THR HG23 . 30409 1 83 . 1 1 12 12 THR CA C 13 64.882 0.000 . . . . . . A 12 THR CA . 30409 1 84 . 1 1 12 12 THR CB C 13 68.842 0.000 . . . . . . A 12 THR CB . 30409 1 85 . 1 1 12 12 THR N N 15 113.444 0.000 . . . . . . A 12 THR N . 30409 1 86 . 1 1 13 13 SER HA H 1 4.479 0.000 . . . . . . A 13 SER HA . 30409 1 87 . 1 1 13 13 SER HB2 H 1 3.968 0.000 . . . . . . A 13 SER HB2 . 30409 1 88 . 1 1 13 13 SER HB3 H 1 3.753 0.000 . . . . . . A 13 SER HB3 . 30409 1 89 . 1 1 13 13 SER CA C 13 58.627 0.000 . . . . . . A 13 SER CA . 30409 1 90 . 1 1 13 13 SER CB C 13 65.448 0.000 . . . . . . A 13 SER CB . 30409 1 91 . 1 1 13 13 SER N N 15 115.285 0.000 . . . . . . A 13 SER N . 30409 1 92 . 1 1 14 14 GLY HA2 H 1 3.752 0.002 . . . . . . A 14 GLY HA2 . 30409 1 93 . 1 1 14 14 GLY CA C 13 45.616 0.000 . . . . . . A 14 GLY CA . 30409 1 94 . 1 1 14 14 GLY N N 15 112.339 0.000 . . . . . . A 14 GLY N . 30409 1 95 . 1 1 15 15 ALA HA H 1 4.253 0.000 . . . . . . A 15 ALA HA . 30409 1 96 . 1 1 15 15 ALA HB1 H 1 1.273 0.002 . . . . . . A 15 ALA HB1 . 30409 1 97 . 1 1 15 15 ALA HB2 H 1 1.273 0.002 . . . . . . A 15 ALA HB2 . 30409 1 98 . 1 1 15 15 ALA HB3 H 1 1.273 0.002 . . . . . . A 15 ALA HB3 . 30409 1 99 . 1 1 15 15 ALA CA C 13 52.400 0.000 . . . . . . A 15 ALA CA . 30409 1 100 . 1 1 15 15 ALA CB C 13 19.702 0.000 . . . . . . A 15 ALA CB . 30409 1 101 . 1 1 15 15 ALA N N 15 122.849 0.000 . . . . . . A 15 ALA N . 30409 1 102 . 1 1 16 16 LYS HA H 1 4.959 0.000 . . . . . . A 16 LYS HA . 30409 1 103 . 1 1 16 16 LYS HB2 H 1 1.641 0.003 . . . . . . A 16 LYS HB2 . 30409 1 104 . 1 1 16 16 LYS HB3 H 1 1.641 0.003 . . . . . . A 16 LYS HB3 . 30409 1 105 . 1 1 16 16 LYS HG2 H 1 1.279 0.002 . . . . . . A 16 LYS HG2 . 30409 1 106 . 1 1 16 16 LYS HG3 H 1 1.169 0.002 . . . . . . A 16 LYS HG3 . 30409 1 107 . 1 1 16 16 LYS CA C 13 55.647 0.000 . . . . . . A 16 LYS CA . 30409 1 108 . 1 1 16 16 LYS CB C 13 31.995 2.643 . . . . . . A 16 LYS CB . 30409 1 109 . 1 1 16 16 LYS CG C 13 25.275 0.000 . . . . . . A 16 LYS CG . 30409 1 110 . 1 1 16 16 LYS N N 15 123.189 0.000 . . . . . . A 16 LYS N . 30409 1 111 . 1 1 17 17 THR HA H 1 4.494 0.000 . . . . . . A 17 THR HA . 30409 1 112 . 1 1 17 17 THR HB H 1 3.929 0.002 . . . . . . A 17 THR HB . 30409 1 113 . 1 1 17 17 THR HG21 H 1 1.126 0.002 . . . . . . A 17 THR HG21 . 30409 1 114 . 1 1 17 17 THR HG22 H 1 1.126 0.002 . . . . . . A 17 THR HG22 . 30409 1 115 . 1 1 17 17 THR HG23 H 1 1.126 0.002 . . . . . . A 17 THR HG23 . 30409 1 116 . 1 1 17 17 THR CA C 13 61.759 0.000 . . . . . . A 17 THR CA . 30409 1 117 . 1 1 17 17 THR CB C 13 70.812 0.000 . . . . . . A 17 THR CB . 30409 1 118 . 1 1 17 17 THR N N 15 121.064 0.000 . . . . . . A 17 THR N . 30409 1 119 . 1 1 18 18 CYS HA H 1 5.546 0.008 . . . . . . A 18 CYS HA . 30409 1 120 . 1 1 18 18 CYS HB2 H 1 3.291 0.005 . . . . . . A 18 CYS HB2 . 30409 1 121 . 1 1 18 18 CYS HB3 H 1 3.038 0.007 . . . . . . A 18 CYS HB3 . 30409 1 122 . 1 1 18 18 CYS CA C 13 55.732 0.000 . . . . . . A 18 CYS CA . 30409 1 123 . 1 1 18 18 CYS CB C 13 48.400 0.020 . . . . . . A 18 CYS CB . 30409 1 124 . 1 1 18 18 CYS N N 15 125.512 0.000 . . . . . . A 18 CYS N . 30409 1 125 . 1 1 19 19 VAL HA H 1 4.102 0.001 . . . . . . A 19 VAL HA . 30409 1 126 . 1 1 19 19 VAL HB H 1 1.952 0.002 . . . . . . A 19 VAL HB . 30409 1 127 . 1 1 19 19 VAL CA C 13 59.391 0.000 . . . . . . A 19 VAL CA . 30409 1 128 . 1 1 19 19 VAL CB C 13 35.621 0.000 . . . . . . A 19 VAL CB . 30409 1 129 . 1 1 19 19 VAL N N 15 121.121 0.000 . . . . . . A 19 VAL N . 30409 1 130 . 1 1 20 20 PRO HA H 1 4.661 0.000 . . . . . . A 20 PRO HA . 30409 1 131 . 1 1 20 20 PRO HB2 H 1 2.448 0.000 . . . . . . A 20 PRO HB2 . 30409 1 132 . 1 1 20 20 PRO HB3 H 1 2.453 0.002 . . . . . . A 20 PRO HB3 . 30409 1 133 . 1 1 20 20 PRO HG2 H 1 1.892 0.002 . . . . . . A 20 PRO HG2 . 30409 1 134 . 1 1 20 20 PRO HG3 H 1 1.844 0.002 . . . . . . A 20 PRO HG3 . 30409 1 135 . 1 1 20 20 PRO HD2 H 1 3.652 0.002 . . . . . . A 20 PRO HD2 . 30409 1 136 . 1 1 20 20 PRO HD3 H 1 3.652 0.002 . . . . . . A 20 PRO HD3 . 30409 1 137 . 1 1 20 20 PRO CA C 13 63.249 0.000 . . . . . . A 20 PRO CA . 30409 1 138 . 1 1 20 20 PRO CB C 13 34.804 0.000 . . . . . . A 20 PRO CB . 30409 1 139 . 1 1 20 20 PRO CG C 13 26.047 0.000 . . . . . . A 20 PRO CG . 30409 1 140 . 1 1 21 21 ASP HA H 1 4.250 0.000 . . . . . . A 21 ASP HA . 30409 1 141 . 1 1 21 21 ASP HB2 H 1 2.591 0.002 . . . . . . A 21 ASP HB2 . 30409 1 142 . 1 1 21 21 ASP HB3 H 1 2.494 0.002 . . . . . . A 21 ASP HB3 . 30409 1 143 . 1 1 21 21 ASP CA C 13 55.953 0.000 . . . . . . A 21 ASP CA . 30409 1 144 . 1 1 21 21 ASP CB C 13 41.196 0.000 . . . . . . A 21 ASP CB . 30409 1 145 . 1 1 21 21 ASP N N 15 119.195 0.000 . . . . . . A 21 ASP N . 30409 1 146 . 1 1 22 22 ASN HA H 1 4.442 0.000 . . . . . . A 22 ASN HA . 30409 1 147 . 1 1 22 22 ASN HB2 H 1 2.994 0.002 . . . . . . A 22 ASN HB2 . 30409 1 148 . 1 1 22 22 ASN HB3 H 1 2.667 0.002 . . . . . . A 22 ASN HB3 . 30409 1 149 . 1 1 22 22 ASN HD21 H 1 7.544 0.002 . . . . . . A 22 ASN HD21 . 30409 1 150 . 1 1 22 22 ASN HD22 H 1 6.805 0.002 . . . . . . A 22 ASN HD22 . 30409 1 151 . 1 1 22 22 ASN CA C 13 54.272 0.000 . . . . . . A 22 ASN CA . 30409 1 152 . 1 1 22 22 ASN CB C 13 38.096 0.017 . . . . . . A 22 ASN CB . 30409 1 153 . 1 1 22 22 ASN N N 15 114.379 2.163 . . . . . . A 22 ASN N . 30409 1 154 . 1 1 23 23 CYS HA H 1 4.342 0.002 . . . . . . A 23 CYS HA . 30409 1 155 . 1 1 23 23 CYS HB2 H 1 3.306 0.004 . . . . . . A 23 CYS HB2 . 30409 1 156 . 1 1 23 23 CYS HB3 H 1 2.873 0.002 . . . . . . A 23 CYS HB3 . 30409 1 157 . 1 1 23 23 CYS CA C 13 48.362 9.233 . . . . . . A 23 CYS CA . 30409 1 158 . 1 1 23 23 CYS CB C 13 39.095 0.000 . . . . . . A 23 CYS CB . 30409 1 159 . 1 1 23 23 CYS N N 15 115.484 0.000 . . . . . . A 23 CYS N . 30409 1 160 . 1 1 24 24 ASP HA H 1 4.402 0.000 . . . . . . A 24 ASP HA . 30409 1 161 . 1 1 24 24 ASP HB2 H 1 2.656 0.002 . . . . . . A 24 ASP HB2 . 30409 1 162 . 1 1 24 24 ASP HB3 H 1 2.656 0.002 . . . . . . A 24 ASP HB3 . 30409 1 163 . 1 1 24 24 ASP CA C 13 54.234 0.000 . . . . . . A 24 ASP CA . 30409 1 164 . 1 1 24 24 ASP N N 15 123.331 1.246 . . . . . . A 24 ASP N . 30409 1 165 . 1 1 25 25 ALA HA H 1 4.161 0.000 . . . . . . A 25 ALA HA . 30409 1 166 . 1 1 25 25 ALA HB1 H 1 1.342 0.002 . . . . . . A 25 ALA HB1 . 30409 1 167 . 1 1 25 25 ALA HB2 H 1 1.342 0.000 . . . . . . A 25 ALA HB2 . 30409 1 168 . 1 1 25 25 ALA HB3 H 1 1.342 0.002 . . . . . . A 25 ALA HB3 . 30409 1 169 . 1 1 25 25 ALA CA C 13 53.049 0.000 . . . . . . A 25 ALA CA . 30409 1 170 . 1 1 25 25 ALA CB C 13 18.859 0.000 . . . . . . A 25 ALA CB . 30409 1 171 . 1 1 26 26 SER HA H 1 4.327 0.002 . . . . . . A 26 SER HA . 30409 1 172 . 1 1 26 26 SER HB2 H 1 3.834 0.002 . . . . . . A 26 SER HB2 . 30409 1 173 . 1 1 26 26 SER HB3 H 1 3.834 0.002 . . . . . . A 26 SER HB3 . 30409 1 174 . 1 1 26 26 SER CA C 13 58.932 0.000 . . . . . . A 26 SER CA . 30409 1 175 . 1 1 26 26 SER N N 15 114.067 0.000 . . . . . . A 26 SER N . 30409 1 176 . 1 1 27 27 ARG HA H 1 4.310 0.000 . . . . . . A 27 ARG HA . 30409 1 177 . 1 1 27 27 ARG HB2 H 1 1.847 0.002 . . . . . . A 27 ARG HB2 . 30409 1 178 . 1 1 27 27 ARG HB3 H 1 1.723 0.003 . . . . . . A 27 ARG HB3 . 30409 1 179 . 1 1 27 27 ARG HG2 H 1 1.601 0.003 . . . . . . A 27 ARG HG2 . 30409 1 180 . 1 1 27 27 ARG HG3 H 1 1.601 0.003 . . . . . . A 27 ARG HG3 . 30409 1 181 . 1 1 27 27 ARG HD2 H 1 3.139 0.002 . . . . . . A 27 ARG HD2 . 30409 1 182 . 1 1 27 27 ARG HD3 H 1 3.139 0.002 . . . . . . A 27 ARG HD3 . 30409 1 183 . 1 1 27 27 ARG HE H 1 7.153 0.000 . . . . . . A 27 ARG HE . 30409 1 184 . 1 1 27 27 ARG CA C 13 56.335 0.000 . . . . . . A 27 ARG CA . 30409 1 185 . 1 1 27 27 ARG CB C 13 30.716 0.000 . . . . . . A 27 ARG CB . 30409 1 186 . 1 1 27 27 ARG CG C 13 27.059 0.000 . . . . . . A 27 ARG CG . 30409 1 187 . 1 1 27 27 ARG N N 15 121.093 1.388 . . . . . . A 27 ARG N . 30409 1 188 . 1 1 28 28 GLY HA2 H 1 3.949 0.000 . . . . . . A 28 GLY HA2 . 30409 1 189 . 1 1 28 28 GLY HA3 H 1 3.949 0.000 . . . . . . A 28 GLY HA3 . 30409 1 190 . 1 1 28 28 GLY CA C 13 45.219 0.000 . . . . . . A 28 GLY CA . 30409 1 191 . 1 1 28 28 GLY N N 15 109.336 0.000 . . . . . . A 28 GLY N . 30409 1 192 . 1 1 29 29 THR HA H 1 4.267 0.000 . . . . . . A 29 THR HA . 30409 1 193 . 1 1 29 29 THR HB H 1 4.151 0.002 . . . . . . A 29 THR HB . 30409 1 194 . 1 1 29 29 THR HG21 H 1 1.115 0.002 . . . . . . A 29 THR HG21 . 30409 1 195 . 1 1 29 29 THR HG22 H 1 1.115 0.002 . . . . . . A 29 THR HG22 . 30409 1 196 . 1 1 29 29 THR HG23 H 1 1.115 0.002 . . . . . . A 29 THR HG23 . 30409 1 197 . 1 1 29 29 THR CA C 13 61.759 0.000 . . . . . . A 29 THR CA . 30409 1 198 . 1 1 29 29 THR CB C 13 69.899 0.000 . . . . . . A 29 THR CB . 30409 1 199 . 1 1 29 29 THR N N 15 112.991 0.000 . . . . . . A 29 THR N . 30409 1 200 . 1 1 30 30 ASN HA H 1 4.940 0.004 . . . . . . A 30 ASN HA . 30409 1 201 . 1 1 30 30 ASN HB2 H 1 2.759 0.002 . . . . . . A 30 ASN HB2 . 30409 1 202 . 1 1 30 30 ASN HB3 H 1 2.603 0.002 . . . . . . A 30 ASN HB3 . 30409 1 203 . 1 1 30 30 ASN HD21 H 1 7.561 0.002 . . . . . . A 30 ASN HD21 . 30409 1 204 . 1 1 30 30 ASN HD22 H 1 6.853 0.002 . . . . . . A 30 ASN HD22 . 30409 1 205 . 1 1 30 30 ASN CA C 13 51.674 0.000 . . . . . . A 30 ASN CA . 30409 1 206 . 1 1 30 30 ASN CB C 13 38.858 0.000 . . . . . . A 30 ASN CB . 30409 1 207 . 1 1 30 30 ASN N N 15 116.079 3.566 . . . . . . A 30 ASN N . 30409 1 208 . 1 1 31 31 PRO HA H 1 4.173 0.000 . . . . . . A 31 PRO HA . 30409 1 209 . 1 1 31 31 PRO HB2 H 1 2.159 0.002 . . . . . . A 31 PRO HB2 . 30409 1 210 . 1 1 31 31 PRO HB3 H 1 2.159 0.002 . . . . . . A 31 PRO HB3 . 30409 1 211 . 1 1 31 31 PRO HG2 H 1 1.925 0.000 . . . . . . A 31 PRO HG2 . 30409 1 212 . 1 1 31 31 PRO HG3 H 1 1.925 0.000 . . . . . . A 31 PRO HG3 . 30409 1 213 . 1 1 31 31 PRO HD2 H 1 3.680 0.002 . . . . . . A 31 PRO HD2 . 30409 1 214 . 1 1 31 31 PRO HD3 H 1 3.610 0.002 . . . . . . A 31 PRO HD3 . 30409 1 215 . 1 1 31 31 PRO CA C 13 64.891 0.000 . . . . . . A 31 PRO CA . 30409 1 216 . 1 1 31 31 PRO CB C 13 32.164 0.000 . . . . . . A 31 PRO CB . 30409 1 stop_ save_