################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7289 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0 _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 1H chemical shifts' _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 1H' 1 $sample_1 isotropic 7289 1 2 '2D 1H,1H COSY' 1 $sample_1 isotropic 7289 1 3 '2D 1H,1H TOCSY' 1 $sample_1 isotropic 7289 1 4 '2D 1H,1H NOESY' 1 $sample_1 isotropic 7289 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 7289 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 MET HA H 1 4.234 0 . 1 . . . . 1 MET HA . 7289 1 2 . 1 1 1 1 MET HB2 H 1 2.239 0 . 1 . . . . 1 MET HB2 . 7289 1 3 . 1 1 1 1 MET HB3 H 1 2.239 0 . 1 . . . . 1 MET HB3 . 7289 1 4 . 1 1 1 1 MET HG2 H 1 2.688 0 . 1 . . . . 1 MET HG2 . 7289 1 5 . 1 1 1 1 MET HG3 H 1 2.688 0 . 1 . . . . 1 MET HG3 . 7289 1 6 . 1 1 1 1 MET HE1 H 1 2.239 0 . 1 . . . . 1 MET HE . 7289 1 7 . 1 1 1 1 MET HE2 H 1 2.239 0 . 1 . . . . 1 MET HE . 7289 1 8 . 1 1 1 1 MET HE3 H 1 2.239 0 . 1 . . . . 1 MET HE . 7289 1 9 . 1 1 2 2 GLY H H 1 8.665 0 . 1 . . . . 2 GLY H . 7289 1 10 . 1 1 2 2 GLY HA2 H 1 4.006 0 . 2 . . . . 2 GLY HA2 . 7289 1 11 . 1 1 2 2 GLY HA3 H 1 4.152 0 . 2 . . . . 2 GLY HA3 . 7289 1 12 . 1 1 3 3 GLN H H 1 8.389 0 . 1 . . . . 3 GLN H . 7289 1 13 . 1 1 3 3 GLN HA H 1 4.408 0 . 1 . . . . 3 GLN HA . 7289 1 14 . 1 1 3 3 GLN HB2 H 1 2.035 0 . 2 . . . . 3 GLN HB2 . 7289 1 15 . 1 1 3 3 GLN HB3 H 1 2.189 0 . 2 . . . . 3 GLN HB3 . 7289 1 16 . 1 1 3 3 GLN HG2 H 1 2.407 0 . 1 . . . . 3 GLN HG2 . 7289 1 17 . 1 1 3 3 GLN HG3 H 1 2.407 0 . 1 . . . . 3 GLN HG3 . 7289 1 18 . 1 1 3 3 GLN HE21 H 1 6.673 0 . 2 . . . . 3 GLN HE21 . 7289 1 19 . 1 1 3 3 GLN HE22 H 1 7.372 0 . 2 . . . . 3 GLN HE22 . 7289 1 20 . 1 1 4 4 GLU H H 1 8.432 0 . 1 . . . . 4 GLU H . 7289 1 21 . 1 1 4 4 GLU HA H 1 4.337 0 . 1 . . . . 4 GLU HA . 7289 1 22 . 1 1 4 4 GLU HB2 H 1 2.089 0 . 2 . . . . 4 GLU HB2 . 7289 1 23 . 1 1 4 4 GLU HB3 H 1 2.176 0 . 2 . . . . 4 GLU HB3 . 7289 1 24 . 1 1 4 4 GLU HG2 H 1 2.535 0 . 1 . . . . 4 GLU HG2 . 7289 1 25 . 1 1 4 4 GLU HG3 H 1 2.535 0 . 1 . . . . 4 GLU HG3 . 7289 1 26 . 1 1 5 5 GLN H H 1 8.438 0 . 1 . . . . 5 GLN H . 7289 1 27 . 1 1 5 5 GLN HA H 1 4.395 0 . 1 . . . . 5 GLN HA . 7289 1 28 . 1 1 5 5 GLN HB2 H 1 2.087 0 . 2 . . . . 5 GLN HB2 . 7289 1 29 . 1 1 5 5 GLN HB3 H 1 2.195 0 . 2 . . . . 5 GLN HB3 . 7289 1 30 . 1 1 5 5 GLN HG2 H 1 2.423 0 . 1 . . . . 5 GLN HG2 . 7289 1 31 . 1 1 5 5 GLN HG3 H 1 2.423 0 . 1 . . . . 5 GLN HG3 . 7289 1 32 . 1 1 5 5 GLN HE21 H 1 6.682 0 . 2 . . . . 5 GLN HE21 . 7289 1 33 . 1 1 5 5 GLN HE22 H 1 7.379 0 . 2 . . . . 5 GLN HE22 . 7289 1 34 . 1 1 6 6 ASP H H 1 8.279 0 . 1 . . . . 6 ASP H . 7289 1 35 . 1 1 6 6 ASP HA H 1 4.908 0 . 1 . . . . 6 ASP HA . 7289 1 36 . 1 1 6 6 ASP HB2 H 1 2.968 0 . 2 . . . . 6 ASP HB2 . 7289 1 37 . 1 1 6 6 ASP HB3 H 1 3.017 0 . 2 . . . . 6 ASP HB3 . 7289 1 38 . 1 1 7 7 THR H H 1 7.91 0 . 1 . . . . 7 THR H . 7289 1 39 . 1 1 7 7 THR HA H 1 4.29 0 . 1 . . . . 7 THR HA . 7289 1 40 . 1 1 7 7 THR HB H 1 4.126 0 . 1 . . . . 7 THR HB . 7289 1 41 . 1 1 7 7 THR HG21 H 1 1.249 0 . 1 . . . . 7 THR HG2 . 7289 1 42 . 1 1 7 7 THR HG22 H 1 1.249 0 . 1 . . . . 7 THR HG2 . 7289 1 43 . 1 1 7 7 THR HG23 H 1 1.249 0 . 1 . . . . 7 THR HG2 . 7289 1 44 . 1 1 8 8 PRO HA H 1 4.348 0 . 1 . . . . 8 PRO HA . 7289 1 45 . 1 1 8 8 PRO HB2 H 1 1.87 0 . 2 . . . . 8 PRO HB2 . 7289 1 46 . 1 1 8 8 PRO HB3 H 1 2.33 0 . 2 . . . . 8 PRO HB3 . 7289 1 47 . 1 1 8 8 PRO HG2 H 1 2.007 0 . 2 . . . . 8 PRO HG2 . 7289 1 48 . 1 1 8 8 PRO HG3 H 1 2.083 0 . 2 . . . . 8 PRO HG3 . 7289 1 49 . 1 1 8 8 PRO HD2 H 1 3.72 0 . 2 . . . . 8 PRO HD2 . 7289 1 50 . 1 1 8 8 PRO HD3 H 1 3.764 0 . 2 . . . . 8 PRO HD3 . 7289 1 51 . 1 1 9 9 TRP H H 1 7.595 0 . 1 . . . . 9 TRP H . 7289 1 52 . 1 1 9 9 TRP HA H 1 4.465 0 . 1 . . . . 9 TRP HA . 7289 1 53 . 1 1 9 9 TRP HB2 H 1 3.412 0 . 1 . . . . 9 TRP HB2 . 7289 1 54 . 1 1 9 9 TRP HB3 H 1 3.412 0 . 1 . . . . 9 TRP HB3 . 7289 1 55 . 1 1 9 9 TRP HD1 H 1 7.255 0 . 1 . . . . 9 TRP HD1 . 7289 1 56 . 1 1 9 9 TRP HE1 H 1 9.828 0 . 1 . . . . 9 TRP HE1 . 7289 1 57 . 1 1 9 9 TRP HE3 H 1 7.557 0 . 1 . . . . 9 TRP HE3 . 7289 1 58 . 1 1 9 9 TRP HZ2 H 1 7.487 0 . 1 . . . . 9 TRP HZ2 . 7289 1 59 . 1 1 9 9 TRP HZ3 H 1 7.142 0 . 1 . . . . 9 TRP HZ3 . 7289 1 60 . 1 1 9 9 TRP HH2 H 1 7.237 0 . 1 . . . . 9 TRP HH2 . 7289 1 61 . 1 1 10 10 ILE H H 1 7.689 0 . 1 . . . . 10 ILE H . 7289 1 62 . 1 1 10 10 ILE HA H 1 3.729 0 . 1 . . . . 10 ILE HA . 7289 1 63 . 1 1 10 10 ILE HB H 1 1.881 0 . 1 . . . . 10 ILE HB . 7289 1 64 . 1 1 10 10 ILE HG12 H 1 1.211 0 . 2 . . . . 10 ILE HG12 . 7289 1 65 . 1 1 10 10 ILE HG13 H 1 1.605 0 . 2 . . . . 10 ILE HG13 . 7289 1 66 . 1 1 10 10 ILE HG21 H 1 0.899 0 . 1 . . . . 10 ILE HG2 . 7289 1 67 . 1 1 10 10 ILE HG22 H 1 0.899 0 . 1 . . . . 10 ILE HG2 . 7289 1 68 . 1 1 10 10 ILE HG23 H 1 0.899 0 . 1 . . . . 10 ILE HG2 . 7289 1 69 . 1 1 10 10 ILE HD11 H 1 0.899 0 . 1 . . . . 10 ILE HD1 . 7289 1 70 . 1 1 10 10 ILE HD12 H 1 0.899 0 . 1 . . . . 10 ILE HD1 . 7289 1 71 . 1 1 10 10 ILE HD13 H 1 0.899 0 . 1 . . . . 10 ILE HD1 . 7289 1 72 . 1 1 11 11 LEU H H 1 7.998 0 . 1 . . . . 11 LEU H . 7289 1 73 . 1 1 11 11 LEU HA H 1 4.23 0 . 1 . . . . 11 LEU HA . 7289 1 74 . 1 1 11 11 LEU HB2 H 1 1.75 0 . 2 . . . . 11 LEU HB2 . 7289 1 75 . 1 1 11 11 LEU HB3 H 1 1.818 0 . 2 . . . . 11 LEU HB3 . 7289 1 76 . 1 1 11 11 LEU HG H 1 1.573 0 . 1 . . . . 11 LEU HG . 7289 1 77 . 1 1 11 11 LEU HD11 H 1 0.902 0 . 1 . . . . 11 LEU HD1 . 7289 1 78 . 1 1 11 11 LEU HD12 H 1 0.902 0 . 1 . . . . 11 LEU HD1 . 7289 1 79 . 1 1 11 11 LEU HD13 H 1 0.902 0 . 1 . . . . 11 LEU HD1 . 7289 1 80 . 1 1 11 11 LEU HD21 H 1 0.902 0 . 1 . . . . 11 LEU HD2 . 7289 1 81 . 1 1 11 11 LEU HD22 H 1 0.902 0 . 1 . . . . 11 LEU HD2 . 7289 1 82 . 1 1 11 11 LEU HD23 H 1 0.902 0 . 1 . . . . 11 LEU HD2 . 7289 1 83 . 1 1 12 12 SER H H 1 8.05 0 . 1 . . . . 12 SER H . 7289 1 84 . 1 1 12 12 SER HA H 1 4.349 0 . 1 . . . . 12 SER HA . 7289 1 85 . 1 1 12 12 SER HB2 H 1 3.961 0 . 2 . . . . 12 SER HB2 . 7289 1 86 . 1 1 12 12 SER HB3 H 1 4.046 0 . 2 . . . . 12 SER HB3 . 7289 1 87 . 1 1 13 13 THR H H 1 7.969 0 . 1 . . . . 13 THR H . 7289 1 88 . 1 1 13 13 THR HA H 1 4.091 0 . 1 . . . . 13 THR HA . 7289 1 89 . 1 1 13 13 THR HB H 1 4.151 0 . 1 . . . . 13 THR HB . 7289 1 90 . 1 1 13 13 THR HG21 H 1 1.099 0 . 1 . . . . 13 THR HG2 . 7289 1 91 . 1 1 13 13 THR HG22 H 1 1.099 0 . 1 . . . . 13 THR HG2 . 7289 1 92 . 1 1 13 13 THR HG23 H 1 1.099 0 . 1 . . . . 13 THR HG2 . 7289 1 93 . 1 1 14 14 GLY H H 1 8.273 0 . 1 . . . . 14 GLY H . 7289 1 94 . 1 1 14 14 GLY HA2 H 1 3.924 0 . 1 . . . . 14 GLY HA2 . 7289 1 95 . 1 1 14 14 GLY HA3 H 1 3.924 0 . 1 . . . . 14 GLY HA3 . 7289 1 96 . 1 1 15 15 HIS H H 1 8.173 0 . 1 . . . . 15 HIS H . 7289 1 97 . 1 1 15 15 HIS HA H 1 4.604 0 . 1 . . . . 15 HIS HA . 7289 1 98 . 1 1 15 15 HIS HB2 H 1 3.318 0 . 2 . . . . 15 HIS HB2 . 7289 1 99 . 1 1 15 15 HIS HB3 H 1 3.403 0 . 2 . . . . 15 HIS HB3 . 7289 1 100 . 1 1 15 15 HIS HD2 H 1 7.309 0 . 1 . . . . 15 HIS HD2 . 7289 1 101 . 1 1 15 15 HIS HE1 H 1 8.541 0 . 1 . . . . 15 HIS HE1 . 7289 1 102 . 1 1 16 16 ILE H H 1 8.168 0 . 1 . . . . 16 ILE H . 7289 1 103 . 1 1 16 16 ILE HA H 1 3.997 0 . 1 . . . . 16 ILE HA . 7289 1 104 . 1 1 16 16 ILE HB H 1 1.944 0 . 1 . . . . 16 ILE HB . 7289 1 105 . 1 1 16 16 ILE HG12 H 1 1.233 0 . 2 . . . . 16 ILE HG12 . 7289 1 106 . 1 1 16 16 ILE HG13 H 1 1.655 0 . 2 . . . . 16 ILE HG13 . 7289 1 107 . 1 1 16 16 ILE HG21 H 1 0.968 0 . 1 . . . . 16 ILE HG2 . 7289 1 108 . 1 1 16 16 ILE HG22 H 1 0.968 0 . 1 . . . . 16 ILE HG2 . 7289 1 109 . 1 1 16 16 ILE HG23 H 1 0.968 0 . 1 . . . . 16 ILE HG2 . 7289 1 110 . 1 1 16 16 ILE HD11 H 1 0.895 0 . 1 . . . . 16 ILE HD1 . 7289 1 111 . 1 1 16 16 ILE HD12 H 1 0.895 0 . 1 . . . . 16 ILE HD1 . 7289 1 112 . 1 1 16 16 ILE HD13 H 1 0.895 0 . 1 . . . . 16 ILE HD1 . 7289 1 113 . 1 1 17 17 SER H H 1 8.269 0 . 1 . . . . 17 SER H . 7289 1 114 . 1 1 17 17 SER HA H 1 4.35 0 . 1 . . . . 17 SER HA . 7289 1 115 . 1 1 17 17 SER HB2 H 1 3.972 0 . 2 . . . . 17 SER HB2 . 7289 1 116 . 1 1 17 17 SER HB3 H 1 4.046 0 . 2 . . . . 17 SER HB3 . 7289 1 117 . 1 1 18 18 THR H H 1 7.945 0 . 1 . . . . 18 THR H . 7289 1 118 . 1 1 18 18 THR HA H 1 4.195 0 . 1 . . . . 18 THR HA . 7289 1 119 . 1 1 18 18 THR HB H 1 4.364 0 . 1 . . . . 18 THR HB . 7289 1 120 . 1 1 18 18 THR HG21 H 1 1.294 0 . 1 . . . . 18 THR HG2 . 7289 1 121 . 1 1 18 18 THR HG22 H 1 1.294 0 . 1 . . . . 18 THR HG2 . 7289 1 122 . 1 1 18 18 THR HG23 H 1 1.294 0 . 1 . . . . 18 THR HG2 . 7289 1 123 . 1 1 19 19 GLN H H 1 8.056 0 . 1 . . . . 19 GLN H . 7289 1 124 . 1 1 19 19 GLN HA H 1 4.219 0 . 1 . . . . 19 GLN HA . 7289 1 125 . 1 1 19 19 GLN HB2 H 1 2.126 0 . 2 . . . . 19 GLN HB2 . 7289 1 126 . 1 1 19 19 GLN HB3 H 1 2.183 0 . 2 . . . . 19 GLN HB3 . 7289 1 127 . 1 1 19 19 GLN HG2 H 1 2.412 0 . 1 . . . . 19 GLN HG2 . 7289 1 128 . 1 1 19 19 GLN HG3 H 1 2.412 0 . 1 . . . . 19 GLN HG3 . 7289 1 129 . 1 1 19 19 GLN HE21 H 1 6.671 0 . 2 . . . . 19 GLN HE21 . 7289 1 130 . 1 1 19 19 GLN HE22 H 1 7.32 0 . 2 . . . . 19 GLN HE22 . 7289 1 131 . 1 1 20 20 LYS H H 1 8.232 0 . 1 . . . . 20 LYS H . 7289 1 132 . 1 1 20 20 LYS HA H 1 4.243 0 . 1 . . . . 20 LYS HA . 7289 1 133 . 1 1 20 20 LYS HB2 H 1 1.919 0 . 1 . . . . 20 LYS HB2 . 7289 1 134 . 1 1 20 20 LYS HB3 H 1 1.919 0 . 1 . . . . 20 LYS HB3 . 7289 1 135 . 1 1 20 20 LYS HG2 H 1 1.506 0 . 2 . . . . 20 LYS HG2 . 7289 1 136 . 1 1 20 20 LYS HG3 H 1 1.593 0 . 2 . . . . 20 LYS HG3 . 7289 1 137 . 1 1 20 20 LYS HD2 H 1 1.736 0 . 1 . . . . 20 LYS HD2 . 7289 1 138 . 1 1 20 20 LYS HD3 H 1 1.736 0 . 1 . . . . 20 LYS HD3 . 7289 1 139 . 1 1 20 20 LYS HE2 H 1 3.023 0 . 1 . . . . 20 LYS HE2 . 7289 1 140 . 1 1 20 20 LYS HE3 H 1 3.023 0 . 1 . . . . 20 LYS HE3 . 7289 1 141 . 1 1 20 20 LYS HZ1 H 1 7.603 0 . 1 . . . . 20 LYS HZ . 7289 1 142 . 1 1 20 20 LYS HZ2 H 1 7.603 0 . 1 . . . . 20 LYS HZ . 7289 1 143 . 1 1 20 20 LYS HZ3 H 1 7.603 0 . 1 . . . . 20 LYS HZ . 7289 1 144 . 1 1 21 21 ARG H H 1 8.027 0 . 1 . . . . 21 ARG H . 7289 1 145 . 1 1 21 21 ARG HA H 1 4.288 0 . 1 . . . . 21 ARG HA . 7289 1 146 . 1 1 21 21 ARG HB2 H 1 1.93 0 . 2 . . . . 21 ARG HB2 . 7289 1 147 . 1 1 21 21 ARG HB3 H 1 1.965 0 . 2 . . . . 21 ARG HB3 . 7289 1 148 . 1 1 21 21 ARG HG2 H 1 1.692 0 . 2 . . . . 21 ARG HG2 . 7289 1 149 . 1 1 21 21 ARG HG3 H 1 1.792 0 . 2 . . . . 21 ARG HG3 . 7289 1 150 . 1 1 21 21 ARG HD2 H 1 3.248 0 . 1 . . . . 21 ARG HD2 . 7289 1 151 . 1 1 21 21 ARG HD3 H 1 3.248 0 . 1 . . . . 21 ARG HD3 . 7289 1 152 . 1 1 21 21 ARG HE H 1 7.204 0 . 1 . . . . 21 ARG HE . 7289 1 153 . 1 1 22 22 GLN H H 1 8.255 0 . 1 . . . . 22 GLN H . 7289 1 154 . 1 1 22 22 GLN HA H 1 4.324 0 . 1 . . . . 22 GLN HA . 7289 1 155 . 1 1 22 22 GLN HB2 H 1 2.126 0 . 2 . . . . 22 GLN HB2 . 7289 1 156 . 1 1 22 22 GLN HB3 H 1 2.195 0 . 2 . . . . 22 GLN HB3 . 7289 1 157 . 1 1 22 22 GLN HG2 H 1 2.44 0 . 2 . . . . 22 GLN HG2 . 7289 1 158 . 1 1 22 22 GLN HG3 H 1 2.481 0 . 2 . . . . 22 GLN HG3 . 7289 1 159 . 1 1 22 22 GLN HE21 H 1 6.647 0 . 2 . . . . 22 GLN HE21 . 7289 1 160 . 1 1 22 22 GLN HE22 H 1 7.326 0 . 2 . . . . 22 GLN HE22 . 7289 1 161 . 1 1 23 23 ASP H H 1 8.372 0 . 1 . . . . 23 ASP H . 7289 1 162 . 1 1 23 23 ASP HA H 1 4.757 0 . 1 . . . . 23 ASP HA . 7289 1 163 . 1 1 23 23 ASP HB2 H 1 2.993 0 . 1 . . . . 23 ASP HB2 . 7289 1 164 . 1 1 23 23 ASP HB3 H 1 2.993 0 . 1 . . . . 23 ASP HB3 . 7289 1 165 . 1 1 24 24 GLY H H 1 8.267 0 . 1 . . . . 24 GLY H . 7289 1 166 . 1 1 24 24 GLY HA2 H 1 4.026 0 . 1 . . . . 24 GLY HA2 . 7289 1 167 . 1 1 24 24 GLY HA3 H 1 4.026 0 . 1 . . . . 24 GLY HA3 . 7289 1 168 . 1 1 25 25 GLN H H 1 8.082 0 . 1 . . . . 25 GLN H . 7289 1 169 . 1 1 25 25 GLN HA H 1 4.387 0 . 1 . . . . 25 GLN HA . 7289 1 170 . 1 1 25 25 GLN HB2 H 1 2.111 0 . 2 . . . . 25 GLN HB2 . 7289 1 171 . 1 1 25 25 GLN HB3 H 1 2.218 0 . 2 . . . . 25 GLN HB3 . 7289 1 172 . 1 1 25 25 GLN HG2 H 1 2.446 0 . 1 . . . . 25 GLN HG2 . 7289 1 173 . 1 1 25 25 GLN HG3 H 1 2.446 0 . 1 . . . . 25 GLN HG3 . 7289 1 174 . 1 1 25 25 GLN HE21 H 1 6.692 0 . 2 . . . . 25 GLN HE21 . 7289 1 175 . 1 1 25 25 GLN HE22 H 1 7.387 0 . 2 . . . . 25 GLN HE22 . 7289 1 176 . 1 1 26 26 GLN H H 1 8.29 0 . 1 . . . . 26 GLN H . 7289 1 177 . 1 1 26 26 GLN HA H 1 4.488 0 . 1 . . . . 26 GLN HA . 7289 1 178 . 1 1 26 26 GLN HB2 H 1 2.065 0 . 2 . . . . 26 GLN HB2 . 7289 1 179 . 1 1 26 26 GLN HB3 H 1 2.22 0 . 2 . . . . 26 GLN HB3 . 7289 1 180 . 1 1 26 26 GLN HG2 H 1 2.447 0 . 1 . . . . 26 GLN HG2 . 7289 1 181 . 1 1 26 26 GLN HG3 H 1 2.447 0 . 1 . . . . 26 GLN HG3 . 7289 1 182 . 1 1 26 26 GLN HE21 H 1 6.684 0 . 2 . . . . 26 GLN HE21 . 7289 1 183 . 1 1 26 26 GLN HE22 H 1 7.439 0 . 2 . . . . 26 GLN HE22 . 7289 1 184 . 1 1 27 27 THR H H 1 7.951 0 . 1 . . . . 27 THR H . 7289 1 185 . 1 1 27 27 THR HA H 1 4.57 0 . 1 . . . . 27 THR HA . 7289 1 186 . 1 1 27 27 THR HB H 1 4.312 0 . 1 . . . . 27 THR HB . 7289 1 187 . 1 1 27 27 THR HG21 H 1 1.307 0 . 1 . . . . 27 THR HG2 . 7289 1 188 . 1 1 27 27 THR HG22 H 1 1.307 0 . 1 . . . . 27 THR HG2 . 7289 1 189 . 1 1 27 27 THR HG23 H 1 1.307 0 . 1 . . . . 27 THR HG2 . 7289 1 190 . 1 1 28 28 PRO HA H 1 4.442 0 . 1 . . . . 28 PRO HA . 7289 1 191 . 1 1 28 28 PRO HB2 H 1 1.926 0 . 2 . . . . 28 PRO HB2 . 7289 1 192 . 1 1 28 28 PRO HB3 H 1 2.364 0 . 2 . . . . 28 PRO HB3 . 7289 1 193 . 1 1 28 28 PRO HG2 H 1 2.043 0 . 2 . . . . 28 PRO HG2 . 7289 1 194 . 1 1 28 28 PRO HG3 H 1 2.114 0 . 2 . . . . 28 PRO HG3 . 7289 1 195 . 1 1 28 28 PRO HD2 H 1 3.738 0 . 2 . . . . 28 PRO HD2 . 7289 1 196 . 1 1 28 28 PRO HD3 H 1 3.859 0 . 2 . . . . 28 PRO HD3 . 7289 1 197 . 1 1 29 29 LYS H H 1 7.984 0 . 1 . . . . 29 LYS H . 7289 1 198 . 1 1 29 29 LYS HA H 1 4.278 0 . 1 . . . . 29 LYS HA . 7289 1 199 . 1 1 29 29 LYS HB2 H 1 1.887 0 . 1 . . . . 29 LYS HB2 . 7289 1 200 . 1 1 29 29 LYS HB3 H 1 1.887 0 . 1 . . . . 29 LYS HB3 . 7289 1 201 . 1 1 29 29 LYS HG2 H 1 1.479 0 . 2 . . . . 29 LYS HG2 . 7289 1 202 . 1 1 29 29 LYS HG3 H 1 1.575 0 . 2 . . . . 29 LYS HG3 . 7289 1 203 . 1 1 29 29 LYS HD2 H 1 1.755 0 . 1 . . . . 29 LYS HD2 . 7289 1 204 . 1 1 29 29 LYS HD3 H 1 1.755 0 . 1 . . . . 29 LYS HD3 . 7289 1 205 . 1 1 29 29 LYS HE2 H 1 3.049 0 . 1 . . . . 29 LYS HE2 . 7289 1 206 . 1 1 29 29 LYS HE3 H 1 3.049 0 . 1 . . . . 29 LYS HE3 . 7289 1 207 . 1 1 29 29 LYS HZ1 H 1 7.603 0 . 1 . . . . 29 LYS HZ . 7289 1 208 . 1 1 29 29 LYS HZ2 H 1 7.603 0 . 1 . . . . 29 LYS HZ . 7289 1 209 . 1 1 29 29 LYS HZ3 H 1 7.603 0 . 1 . . . . 29 LYS HZ . 7289 1 210 . 1 1 30 30 LEU H H 1 7.84 0 . 1 . . . . 30 LEU H . 7289 1 211 . 1 1 30 30 LEU HA H 1 4.324 0 . 1 . . . . 30 LEU HA . 7289 1 212 . 1 1 30 30 LEU HB2 H 1 1.658 0 . 2 . . . . 30 LEU HB2 . 7289 1 213 . 1 1 30 30 LEU HB3 H 1 1.731 0 . 2 . . . . 30 LEU HB3 . 7289 1 214 . 1 1 30 30 LEU HG H 1 1.658 0 . 1 . . . . 30 LEU HG . 7289 1 215 . 1 1 30 30 LEU HD11 H 1 0.921 0 . 2 . . . . 30 LEU HD1 . 7289 1 216 . 1 1 30 30 LEU HD12 H 1 0.921 0 . 2 . . . . 30 LEU HD1 . 7289 1 217 . 1 1 30 30 LEU HD13 H 1 0.921 0 . 2 . . . . 30 LEU HD1 . 7289 1 218 . 1 1 30 30 LEU HD21 H 1 0.971 0 . 2 . . . . 30 LEU HD2 . 7289 1 219 . 1 1 30 30 LEU HD22 H 1 0.971 0 . 2 . . . . 30 LEU HD2 . 7289 1 220 . 1 1 30 30 LEU HD23 H 1 0.971 0 . 2 . . . . 30 LEU HD2 . 7289 1 221 . 1 1 31 31 GLU H H 1 8.056 0 . 1 . . . . 31 GLU H . 7289 1 222 . 1 1 31 31 GLU HA H 1 4.324 0 . 1 . . . . 31 GLU HA . 7289 1 223 . 1 1 31 31 GLU HB2 H 1 2.11 0 . 2 . . . . 31 GLU HB2 . 7289 1 224 . 1 1 31 31 GLU HB3 H 1 2.203 0 . 2 . . . . 31 GLU HB3 . 7289 1 225 . 1 1 31 31 GLU HG2 H 1 2.47 0 . 1 . . . . 31 GLU HG2 . 7289 1 226 . 1 1 31 31 GLU HG3 H 1 2.47 0 . 1 . . . . 31 GLU HG3 . 7289 1 227 . 1 1 32 32 HIS H H 1 8.29 0 . 1 . . . . 32 HIS H . 7289 1 228 . 1 1 32 32 HIS HA H 1 4.686 0 . 1 . . . . 32 HIS HA . 7289 1 229 . 1 1 32 32 HIS HB2 H 1 3.259 0 . 2 . . . . 32 HIS HB2 . 7289 1 230 . 1 1 32 32 HIS HB3 H 1 3.38 0 . 2 . . . . 32 HIS HB3 . 7289 1 231 . 1 1 32 32 HIS HD2 H 1 7.343 0 . 1 . . . . 32 HIS HD2 . 7289 1 232 . 1 1 32 32 HIS HE1 H 1 8.588 0 . 1 . . . . 32 HIS HE1 . 7289 1 233 . 1 1 33 33 ARG H H 1 8.262 0 . 1 . . . . 33 ARG H . 7289 1 234 . 1 1 33 33 ARG HA H 1 4.351 0 . 1 . . . . 33 ARG HA . 7289 1 235 . 1 1 33 33 ARG HB2 H 1 1.883 0 . 2 . . . . 33 ARG HB2 . 7289 1 236 . 1 1 33 33 ARG HB3 H 1 1.955 0 . 2 . . . . 33 ARG HB3 . 7289 1 237 . 1 1 33 33 ARG HG2 H 1 1.69 0 . 2 . . . . 33 ARG HG2 . 7289 1 238 . 1 1 33 33 ARG HG3 H 1 1.736 0 . 2 . . . . 33 ARG HG3 . 7289 1 239 . 1 1 33 33 ARG HD2 H 1 3.237 0 . 1 . . . . 33 ARG HD2 . 7289 1 240 . 1 1 33 33 ARG HD3 H 1 3.237 0 . 1 . . . . 33 ARG HD3 . 7289 1 241 . 1 1 33 33 ARG HE H 1 7.194 0 . 1 . . . . 33 ARG HE . 7289 1 242 . 1 1 34 34 ASN H H 1 8.466 0 . 1 . . . . 34 ASN H . 7289 1 243 . 1 1 34 34 ASN HA H 1 4.779 0 . 1 . . . . 34 ASN HA . 7289 1 244 . 1 1 34 34 ASN HB2 H 1 2.866 0 . 2 . . . . 34 ASN HB2 . 7289 1 245 . 1 1 34 34 ASN HB3 H 1 2.908 0 . 2 . . . . 34 ASN HB3 . 7289 1 246 . 1 1 34 34 ASN HD21 H 1 6.771 0 . 2 . . . . 34 ASN HD21 . 7289 1 247 . 1 1 34 34 ASN HD22 H 1 7.507 0 . 2 . . . . 34 ASN HD22 . 7289 1 248 . 1 1 35 35 SER H H 1 8.214 0 . 1 . . . . 35 SER H . 7289 1 249 . 1 1 35 35 SER HA H 1 4.511 0 . 1 . . . . 35 SER HA . 7289 1 250 . 1 1 35 35 SER HB2 H 1 3.936 0 . 2 . . . . 35 SER HB2 . 7289 1 251 . 1 1 35 35 SER HB3 H 1 4.034 0 . 2 . . . . 35 SER HB3 . 7289 1 252 . 1 1 36 36 THR H H 1 8.028 0 . 1 . . . . 36 THR H . 7289 1 253 . 1 1 36 36 THR HA H 1 4.337 0 . 1 . . . . 36 THR HA . 7289 1 254 . 1 1 36 36 THR HB H 1 4.337 0 . 1 . . . . 36 THR HB . 7289 1 255 . 1 1 36 36 THR HG21 H 1 1.274 0 . 1 . . . . 36 THR HG2 . 7289 1 256 . 1 1 36 36 THR HG22 H 1 1.274 0 . 1 . . . . 36 THR HG2 . 7289 1 257 . 1 1 36 36 THR HG23 H 1 1.274 0 . 1 . . . . 36 THR HG2 . 7289 1 258 . 1 1 37 37 ARG H H 1 8.074 0 . 1 . . . . 37 ARG H . 7289 1 259 . 1 1 37 37 ARG HA H 1 4.361 0 . 1 . . . . 37 ARG HA . 7289 1 260 . 1 1 37 37 ARG HB2 H 1 1.846 0 . 2 . . . . 37 ARG HB2 . 7289 1 261 . 1 1 37 37 ARG HB3 H 1 1.942 0 . 2 . . . . 37 ARG HB3 . 7289 1 262 . 1 1 37 37 ARG HG2 H 1 1.702 0 . 1 . . . . 37 ARG HG2 . 7289 1 263 . 1 1 37 37 ARG HG3 H 1 1.702 0 . 1 . . . . 37 ARG HG3 . 7289 1 264 . 1 1 37 37 ARG HD2 H 1 3.237 0 . 1 . . . . 37 ARG HD2 . 7289 1 265 . 1 1 37 37 ARG HD3 H 1 3.237 0 . 1 . . . . 37 ARG HD3 . 7289 1 266 . 1 1 37 37 ARG HE H 1 7.187 0 . 1 . . . . 37 ARG HE . 7289 1 267 . 1 1 38 38 LEU H H 1 7.957 0 . 1 . . . . 38 LEU H . 7289 1 268 . 1 1 38 38 LEU HA H 1 4.359 0 . 1 . . . . 38 LEU HA . 7289 1 269 . 1 1 38 38 LEU HB2 H 1 1.729 0 . 1 . . . . 38 LEU HB2 . 7289 1 270 . 1 1 38 38 LEU HB3 H 1 1.729 0 . 1 . . . . 38 LEU HB3 . 7289 1 271 . 1 1 38 38 LEU HG H 1 1.67 0 . 1 . . . . 38 LEU HG . 7289 1 272 . 1 1 38 38 LEU HD11 H 1 0.922 0 . 2 . . . . 38 LEU HD1 . 7289 1 273 . 1 1 38 38 LEU HD12 H 1 0.922 0 . 2 . . . . 38 LEU HD1 . 7289 1 274 . 1 1 38 38 LEU HD13 H 1 0.922 0 . 2 . . . . 38 LEU HD1 . 7289 1 275 . 1 1 38 38 LEU HD21 H 1 0.972 0 . 2 . . . . 38 LEU HD2 . 7289 1 276 . 1 1 38 38 LEU HD22 H 1 0.972 0 . 2 . . . . 38 LEU HD2 . 7289 1 277 . 1 1 38 38 LEU HD23 H 1 0.972 0 . 2 . . . . 38 LEU HD2 . 7289 1 278 . 1 1 39 39 MET H H 1 8.004 0 . 1 . . . . 39 MET H . 7289 1 279 . 1 1 39 39 MET HA H 1 4.5 0 . 1 . . . . 39 MET HA . 7289 1 280 . 1 1 39 39 MET HB2 H 1 2.088 0 . 2 . . . . 39 MET HB2 . 7289 1 281 . 1 1 39 39 MET HB3 H 1 2.194 0 . 2 . . . . 39 MET HB3 . 7289 1 282 . 1 1 39 39 MET HG2 H 1 2.586 0 . 2 . . . . 39 MET HG2 . 7289 1 283 . 1 1 39 39 MET HG3 H 1 2.646 0 . 2 . . . . 39 MET HG3 . 7289 1 284 . 1 1 39 39 MET HE1 H 1 2.194 0 . 1 . . . . 39 MET HE . 7289 1 285 . 1 1 39 39 MET HE2 H 1 2.194 0 . 1 . . . . 39 MET HE . 7289 1 286 . 1 1 39 39 MET HE3 H 1 2.194 0 . 1 . . . . 39 MET HE . 7289 1 287 . 1 1 40 40 GLY H H 1 8.08 0 . 1 . . . . 40 GLY H . 7289 1 288 . 1 1 40 40 GLY HA2 H 1 3.925 0 . 2 . . . . 40 GLY HA2 . 7289 1 289 . 1 1 40 40 GLY HA3 H 1 3.987 0 . 2 . . . . 40 GLY HA3 . 7289 1 stop_ save_