################################### # 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 30420 _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 1H' . . . 30420 1 2 '2D 1H-1H TOCSY' . . . 30420 1 3 '2D DQF-COSY' . . . 30420 1 4 '2D 1H-1H NOESY' . . . 30420 1 5 '2D 1H-15N HSQC' . . . 30420 1 6 '2D 1H-13C HSQC' . . . 30420 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 ALA HA H 1 4.067 0.000 . 1 . . . . A 1 ALA HA . 30420 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.468 0.000 . 1 . . . . A 1 ALA HB1 . 30420 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.468 0.000 . 1 . . . . A 1 ALA HB2 . 30420 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.468 0.000 . 1 . . . . A 1 ALA HB3 . 30420 1 5 . 1 . 1 2 2 CYS H H 1 8.838 0.001 . 1 . . . . A 2 CYS H . 30420 1 6 . 1 . 1 2 2 CYS HA H 1 4.701 0.000 . 1 . . . . A 2 CYS HA . 30420 1 7 . 1 . 1 2 2 CYS HB2 H 1 2.991 0.001 . 1 . . . . A 2 CYS HB2 . 30420 1 8 . 1 . 1 2 2 CYS HB3 H 1 2.991 0.001 . 1 . . . . A 2 CYS HB3 . 30420 1 9 . 1 . 1 2 2 CYS N N 15 121.512 0.000 . 1 . . . . A 2 CYS N . 30420 1 10 . 1 . 1 3 3 LYS H H 1 8.339 0.002 . 1 . . . . A 3 LYS H . 30420 1 11 . 1 . 1 3 3 LYS HA H 1 4.615 0.000 . 1 . . . . A 3 LYS HA . 30420 1 12 . 1 . 1 3 3 LYS HB2 H 1 1.794 0.000 . 1 . . . . A 3 LYS HB2 . 30420 1 13 . 1 . 1 3 3 LYS HB3 H 1 1.794 0.000 . 1 . . . . A 3 LYS HB3 . 30420 1 14 . 1 . 1 3 3 LYS HG2 H 1 1.397 0.000 . 2 . . . . A 3 LYS HG2 . 30420 1 15 . 1 . 1 3 3 LYS HG3 H 1 1.189 0.000 . 2 . . . . A 3 LYS HG3 . 30420 1 16 . 1 . 1 3 3 LYS HD2 H 1 1.673 0.000 . 1 . . . . A 3 LYS HD2 . 30420 1 17 . 1 . 1 3 3 LYS HD3 H 1 1.673 0.000 . 1 . . . . A 3 LYS HD3 . 30420 1 18 . 1 . 1 3 3 LYS HE2 H 1 2.950 0.000 . 1 . . . . A 3 LYS HE2 . 30420 1 19 . 1 . 1 3 3 LYS HE3 H 1 2.950 0.000 . 1 . . . . A 3 LYS HE3 . 30420 1 20 . 1 . 1 3 3 LYS N N 15 124.124 0.000 . 1 . . . . A 3 LYS N . 30420 1 21 . 1 . 1 4 4 ASP H H 1 8.848 0.001 . 1 . . . . A 4 ASP H . 30420 1 22 . 1 . 1 4 4 ASP HA H 1 4.777 0.001 . 1 . . . . A 4 ASP HA . 30420 1 23 . 1 . 1 4 4 ASP HB2 H 1 2.720 0.000 . 1 . . . . A 4 ASP HB2 . 30420 1 24 . 1 . 1 4 4 ASP HB3 H 1 3.108 0.000 . 1 . . . . A 4 ASP HB3 . 30420 1 25 . 1 . 1 4 4 ASP N N 15 123.376 0.000 . 1 . . . . A 4 ASP N . 30420 1 26 . 1 . 1 5 5 VAL H H 1 8.246 0.001 . 1 . . . . A 5 VAL H . 30420 1 27 . 1 . 1 5 5 VAL HA H 1 3.958 0.000 . 1 . . . . A 5 VAL HA . 30420 1 28 . 1 . 1 5 5 VAL HB H 1 2.055 0.001 . 1 . . . . A 5 VAL HB . 30420 1 29 . 1 . 1 5 5 VAL HG11 H 1 1.057 0.001 . 2 . . . . A 5 VAL HG11 . 30420 1 30 . 1 . 1 5 5 VAL HG12 H 1 1.057 0.001 . 2 . . . . A 5 VAL HG12 . 30420 1 31 . 1 . 1 5 5 VAL HG13 H 1 1.057 0.001 . 2 . . . . A 5 VAL HG13 . 30420 1 32 . 1 . 1 5 5 VAL HG21 H 1 0.999 0.001 . 2 . . . . A 5 VAL HG21 . 30420 1 33 . 1 . 1 5 5 VAL HG22 H 1 0.999 0.001 . 2 . . . . A 5 VAL HG22 . 30420 1 34 . 1 . 1 5 5 VAL HG23 H 1 0.999 0.001 . 2 . . . . A 5 VAL HG23 . 30420 1 35 . 1 . 1 5 5 VAL N N 15 126.118 0.000 . 1 . . . . A 5 VAL N . 30420 1 36 . 1 . 1 6 6 PHE H H 1 8.077 0.001 . 1 . . . . A 6 PHE H . 30420 1 37 . 1 . 1 6 6 PHE HA H 1 5.229 0.002 . 1 . . . . A 6 PHE HA . 30420 1 38 . 1 . 1 6 6 PHE HB2 H 1 3.283 0.002 . 1 . . . . A 6 PHE HB2 . 30420 1 39 . 1 . 1 6 6 PHE HB3 H 1 3.166 0.002 . 1 . . . . A 6 PHE HB3 . 30420 1 40 . 1 . 1 6 6 PHE HD1 H 1 7.238 0.001 . 1 . . . . A 6 PHE HD1 . 30420 1 41 . 1 . 1 6 6 PHE HD2 H 1 7.238 0.001 . 1 . . . . A 6 PHE HD2 . 30420 1 42 . 1 . 1 6 6 PHE HE1 H 1 7.063 0.001 . 1 . . . . A 6 PHE HE1 . 30420 1 43 . 1 . 1 6 6 PHE HE2 H 1 7.063 0.001 . 1 . . . . A 6 PHE HE2 . 30420 1 44 . 1 . 1 6 6 PHE N N 15 119.327 0.000 . 1 . . . . A 6 PHE N . 30420 1 45 . 1 . 1 7 7 PRO HA H 1 4.520 0.001 . 1 . . . . A 7 PRO HA . 30420 1 46 . 1 . 1 7 7 PRO HB2 H 1 2.564 0.001 . 2 . . . . A 7 PRO HB2 . 30420 1 47 . 1 . 1 7 7 PRO HB3 H 1 1.979 0.001 . 2 . . . . A 7 PRO HB3 . 30420 1 48 . 1 . 1 7 7 PRO HG2 H 1 2.135 0.001 . 1 . . . . A 7 PRO HG2 . 30420 1 49 . 1 . 1 7 7 PRO HG3 H 1 2.135 0.001 . 1 . . . . A 7 PRO HG3 . 30420 1 50 . 1 . 1 7 7 PRO HD2 H 1 4.033 0.001 . 2 . . . . A 7 PRO HD2 . 30420 1 51 . 1 . 1 7 7 PRO HD3 H 1 3.493 0.002 . 2 . . . . A 7 PRO HD3 . 30420 1 52 . 1 . 1 8 8 ALA H H 1 8.717 0.000 . 1 . . . . A 8 ALA H . 30420 1 53 . 1 . 1 8 8 ALA HA H 1 4.236 0.001 . 1 . . . . A 8 ALA HA . 30420 1 54 . 1 . 1 8 8 ALA HB1 H 1 1.482 0.001 . 1 . . . . A 8 ALA HB1 . 30420 1 55 . 1 . 1 8 8 ALA HB2 H 1 1.482 0.001 . 1 . . . . A 8 ALA HB2 . 30420 1 56 . 1 . 1 8 8 ALA HB3 H 1 1.482 0.001 . 1 . . . . A 8 ALA HB3 . 30420 1 57 . 1 . 1 8 8 ALA N N 15 126.807 0.000 . 1 . . . . A 8 ALA N . 30420 1 58 . 1 . 1 9 9 ALA H H 1 9.170 0.001 . 1 . . . . A 9 ALA H . 30420 1 59 . 1 . 1 9 9 ALA HA H 1 4.078 0.000 . 1 . . . . A 9 ALA HA . 30420 1 60 . 1 . 1 9 9 ALA HB1 H 1 1.463 0.001 . 1 . . . . A 9 ALA HB1 . 30420 1 61 . 1 . 1 9 9 ALA HB2 H 1 1.463 0.001 . 1 . . . . A 9 ALA HB2 . 30420 1 62 . 1 . 1 9 9 ALA HB3 H 1 1.463 0.001 . 1 . . . . A 9 ALA HB3 . 30420 1 63 . 1 . 1 9 9 ALA N N 15 118.081 0.000 . 1 . . . . A 9 ALA N . 30420 1 64 . 1 . 1 10 10 THR H H 1 7.223 0.002 . 1 . . . . A 10 THR H . 30420 1 65 . 1 . 1 10 10 THR HA H 1 4.084 0.000 . 1 . . . . A 10 THR HA . 30420 1 66 . 1 . 1 10 10 THR HB H 1 4.431 0.002 . 1 . . . . A 10 THR HB . 30420 1 67 . 1 . 1 10 10 THR HG21 H 1 1.280 0.001 . 1 . . . . A 10 THR HG21 . 30420 1 68 . 1 . 1 10 10 THR HG22 H 1 1.280 0.001 . 1 . . . . A 10 THR HG22 . 30420 1 69 . 1 . 1 10 10 THR HG23 H 1 1.280 0.001 . 1 . . . . A 10 THR HG23 . 30420 1 70 . 1 . 1 10 10 THR N N 15 115.857 0.000 . 1 . . . . A 10 THR N . 30420 1 71 . 1 . 1 11 11 CYS H H 1 8.417 0.001 . 1 . . . . A 11 CYS H . 30420 1 72 . 1 . 1 11 11 CYS HA H 1 4.782 0.001 . 1 . . . . A 11 CYS HA . 30420 1 73 . 1 . 1 11 11 CYS HB2 H 1 2.923 0.003 . 1 . . . . A 11 CYS HB2 . 30420 1 74 . 1 . 1 11 11 CYS HB3 H 1 2.923 0.003 . 1 . . . . A 11 CYS HB3 . 30420 1 75 . 1 . 1 11 11 CYS N N 15 121.782 0.000 . 1 . . . . A 11 CYS N . 30420 1 76 . 1 . 1 12 12 ARG H H 1 9.274 0.002 . 1 . . . . A 12 ARG H . 30420 1 77 . 1 . 1 12 12 ARG HA H 1 3.900 0.000 . 1 . . . . A 12 ARG HA . 30420 1 78 . 1 . 1 12 12 ARG HB2 H 1 1.941 0.000 . 1 . . . . A 12 ARG HB2 . 30420 1 79 . 1 . 1 12 12 ARG HB3 H 1 1.941 0.000 . 1 . . . . A 12 ARG HB3 . 30420 1 80 . 1 . 1 12 12 ARG HG2 H 1 1.623 0.000 . 2 . . . . A 12 ARG HG2 . 30420 1 81 . 1 . 1 12 12 ARG HG3 H 1 1.890 0.000 . 2 . . . . A 12 ARG HG3 . 30420 1 82 . 1 . 1 12 12 ARG HD2 H 1 3.161 0.000 . 2 . . . . A 12 ARG HD2 . 30420 1 83 . 1 . 1 12 12 ARG HD3 H 1 3.263 0.000 . 2 . . . . A 12 ARG HD3 . 30420 1 84 . 1 . 1 12 12 ARG HE H 1 7.342 0.002 . 1 . . . . A 12 ARG HE . 30420 1 85 . 1 . 1 12 12 ARG N N 15 121.548 0.000 . 1 . . . . A 12 ARG N . 30420 1 86 . 1 . 1 12 12 ARG NE N 15 84.2 0.000 . 1 . . . . A 12 ARG NE . 30420 1 87 . 1 . 1 13 13 HIS H H 1 7.810 0.002 . 1 . . . . A 13 HIS H . 30420 1 88 . 1 . 1 13 13 HIS HA H 1 4.325 0.001 . 1 . . . . A 13 HIS HA . 30420 1 89 . 1 . 1 13 13 HIS HB2 H 1 3.358 0.001 . 1 . . . . A 13 HIS HB2 . 30420 1 90 . 1 . 1 13 13 HIS HB3 H 1 3.358 0.001 . 1 . . . . A 13 HIS HB3 . 30420 1 91 . 1 . 1 13 13 HIS HD2 H 1 7.310 0.002 . 1 . . . . A 13 HIS HD2 . 30420 1 92 . 1 . 1 13 13 HIS HE1 H 1 8.539 0.000 . 1 . . . . A 13 HIS HE1 . 30420 1 93 . 1 . 1 13 13 HIS N N 15 118.389 0.000 . 1 . . . . A 13 HIS N . 30420 1 94 . 1 . 1 14 14 ALA H H 1 8.043 0.001 . 1 . . . . A 14 ALA H . 30420 1 95 . 1 . 1 14 14 ALA HA H 1 3.747 0.001 . 1 . . . . A 14 ALA HA . 30420 1 96 . 1 . 1 14 14 ALA HB1 H 1 0.846 0.001 . 1 . . . . A 14 ALA HB1 . 30420 1 97 . 1 . 1 14 14 ALA HB2 H 1 0.846 0.001 . 1 . . . . A 14 ALA HB2 . 30420 1 98 . 1 . 1 14 14 ALA HB3 H 1 0.846 0.001 . 1 . . . . A 14 ALA HB3 . 30420 1 99 . 1 . 1 14 14 ALA N N 15 121.489 0.000 . 1 . . . . A 14 ALA N . 30420 1 100 . 1 . 1 15 15 LYS H H 1 8.052 0.001 . 1 . . . . A 15 LYS H . 30420 1 101 . 1 . 1 15 15 LYS HA H 1 4.121 0.001 . 1 . . . . A 15 LYS HA . 30420 1 102 . 1 . 1 15 15 LYS HB2 H 1 1.927 0.000 . 1 . . . . A 15 LYS HB2 . 30420 1 103 . 1 . 1 15 15 LYS HB3 H 1 1.927 0.000 . 1 . . . . A 15 LYS HB3 . 30420 1 104 . 1 . 1 15 15 LYS HG2 H 1 1.586 0.000 . 2 . . . . A 15 LYS HG2 . 30420 1 105 . 1 . 1 15 15 LYS HG3 H 1 1.367 0.006 . 2 . . . . A 15 LYS HG3 . 30420 1 106 . 1 . 1 15 15 LYS HD2 H 1 1.717 0.000 . 2 . . . . A 15 LYS HD2 . 30420 1 107 . 1 . 1 15 15 LYS HD3 H 1 1.612 0.000 . 2 . . . . A 15 LYS HD3 . 30420 1 108 . 1 . 1 15 15 LYS HE2 H 1 3.004 0.001 . 1 . . . . A 15 LYS HE2 . 30420 1 109 . 1 . 1 15 15 LYS HE3 H 1 3.004 0.001 . 1 . . . . A 15 LYS HE3 . 30420 1 110 . 1 . 1 15 15 LYS HZ1 H 1 7.598 0.000 . 1 . . . . A 15 LYS HZ1 . 30420 1 111 . 1 . 1 15 15 LYS HZ2 H 1 7.598 0.000 . 1 . . . . A 15 LYS HZ2 . 30420 1 112 . 1 . 1 15 15 LYS HZ3 H 1 7.598 0.000 . 1 . . . . A 15 LYS HZ3 . 30420 1 113 . 1 . 1 15 15 LYS N N 15 117.542 0.000 . 1 . . . . A 15 LYS N . 30420 1 114 . 1 . 1 16 16 SER H H 1 7.910 0.002 . 1 . . . . A 16 SER H . 30420 1 115 . 1 . 1 16 16 SER HA H 1 4.208 0.000 . 1 . . . . A 16 SER HA . 30420 1 116 . 1 . 1 16 16 SER HB2 H 1 3.979 0.000 . 1 . . . . A 16 SER HB2 . 30420 1 117 . 1 . 1 16 16 SER HB3 H 1 3.979 0.000 . 1 . . . . A 16 SER HB3 . 30420 1 118 . 1 . 1 16 16 SER N N 15 116.252 0.000 . 1 . . . . A 16 SER N . 30420 1 119 . 1 . 1 17 17 VAL H H 1 7.308 0.002 . 1 . . . . A 17 VAL H . 30420 1 120 . 1 . 1 17 17 VAL HA H 1 4.497 0.001 . 1 . . . . A 17 VAL HA . 30420 1 121 . 1 . 1 17 17 VAL HB H 1 2.375 0.001 . 1 . . . . A 17 VAL HB . 30420 1 122 . 1 . 1 17 17 VAL HG11 H 1 0.615 0.001 . 2 . . . . A 17 VAL HG11 . 30420 1 123 . 1 . 1 17 17 VAL HG12 H 1 0.615 0.001 . 2 . . . . A 17 VAL HG12 . 30420 1 124 . 1 . 1 17 17 VAL HG13 H 1 0.615 0.001 . 2 . . . . A 17 VAL HG13 . 30420 1 125 . 1 . 1 17 17 VAL HG21 H 1 0.662 0.001 . 2 . . . . A 17 VAL HG21 . 30420 1 126 . 1 . 1 17 17 VAL HG22 H 1 0.662 0.001 . 2 . . . . A 17 VAL HG22 . 30420 1 127 . 1 . 1 17 17 VAL HG23 H 1 0.662 0.001 . 2 . . . . A 17 VAL HG23 . 30420 1 128 . 1 . 1 17 17 VAL N N 15 111.067 0.000 . 1 . . . . A 17 VAL N . 30420 1 129 . 1 . 1 18 18 GLY H H 1 7.412 0.002 . 1 . . . . A 18 GLY H . 30420 1 130 . 1 . 1 18 18 GLY HA2 H 1 4.306 0.001 . 2 . . . . A 18 GLY HA2 . 30420 1 131 . 1 . 1 18 18 GLY HA3 H 1 3.993 0.001 . 2 . . . . A 18 GLY HA3 . 30420 1 132 . 1 . 1 18 18 GLY N N 15 107.862 0.000 . 1 . . . . A 18 GLY N . 30420 1 133 . 1 . 1 19 19 ASN H H 1 8.199 0.002 . 1 . . . . A 19 ASN H . 30420 1 134 . 1 . 1 19 19 ASN HA H 1 5.034 0.001 . 1 . . . . A 19 ASN HA . 30420 1 135 . 1 . 1 19 19 ASN HB2 H 1 2.108 0.001 . 1 . . . . A 19 ASN HB2 . 30420 1 136 . 1 . 1 19 19 ASN HB3 H 1 2.815 0.001 . 1 . . . . A 19 ASN HB3 . 30420 1 137 . 1 . 1 19 19 ASN HD21 H 1 6.948 0.002 . 1 . . . . A 19 ASN HD21 . 30420 1 138 . 1 . 1 19 19 ASN HD22 H 1 7.044 0.001 . 1 . . . . A 19 ASN HD22 . 30420 1 139 . 1 . 1 19 19 ASN N N 15 116.561 0.000 . 1 . . . . A 19 ASN N . 30420 1 140 . 1 . 1 19 19 ASN ND2 N 15 110.212 0.002 . 1 . . . . A 19 ASN ND2 . 30420 1 141 . 1 . 1 20 20 CYS H H 1 8.596 0.001 . 1 . . . . A 20 CYS H . 30420 1 142 . 1 . 1 20 20 CYS HA H 1 4.544 0.000 . 1 . . . . A 20 CYS HA . 30420 1 143 . 1 . 1 20 20 CYS HB2 H 1 3.157 0.000 . 1 . . . . A 20 CYS HB2 . 30420 1 144 . 1 . 1 20 20 CYS HB3 H 1 3.075 0.000 . 1 . . . . A 20 CYS HB3 . 30420 1 145 . 1 . 1 20 20 CYS N N 15 117.445 0.000 . 1 . . . . A 20 CYS N . 30420 1 146 . 1 . 1 21 21 SER H H 1 7.570 0.001 . 1 . . . . A 21 SER H . 30420 1 147 . 1 . 1 21 21 SER HA H 1 4.350 0.001 . 1 . . . . A 21 SER HA . 30420 1 148 . 1 . 1 21 21 SER HB2 H 1 4.042 0.000 . 2 . . . . A 21 SER HB2 . 30420 1 149 . 1 . 1 21 21 SER HB3 H 1 3.917 0.000 . 2 . . . . A 21 SER HB3 . 30420 1 150 . 1 . 1 21 21 SER N N 15 110.829 0.000 . 1 . . . . A 21 SER N . 30420 1 151 . 1 . 1 22 22 SER H H 1 7.804 0.001 . 1 . . . . A 22 SER H . 30420 1 152 . 1 . 1 22 22 SER HA H 1 4.682 0.001 . 1 . . . . A 22 SER HA . 30420 1 153 . 1 . 1 22 22 SER HB2 H 1 4.269 0.001 . 1 . . . . A 22 SER HB2 . 30420 1 154 . 1 . 1 22 22 SER HB3 H 1 4.269 0.001 . 1 . . . . A 22 SER HB3 . 30420 1 155 . 1 . 1 22 22 SER N N 15 118.168 0.000 . 1 . . . . A 22 SER N . 30420 1 156 . 1 . 1 23 23 GLU H H 1 9.182 0.001 . 1 . . . . A 23 GLU H . 30420 1 157 . 1 . 1 23 23 GLU HA H 1 3.906 0.001 . 1 . . . . A 23 GLU HA . 30420 1 158 . 1 . 1 23 23 GLU HB2 H 1 2.004 0.000 . 2 . . . . A 23 GLU HB2 . 30420 1 159 . 1 . 1 23 23 GLU HB3 H 1 2.111 0.000 . 2 . . . . A 23 GLU HB3 . 30420 1 160 . 1 . 1 23 23 GLU HG2 H 1 2.321 0.002 . 1 . . . . A 23 GLU HG2 . 30420 1 161 . 1 . 1 23 23 GLU HG3 H 1 2.321 0.002 . 1 . . . . A 23 GLU HG3 . 30420 1 162 . 1 . 1 23 23 GLU N N 15 127.772 0.000 . 1 . . . . A 23 GLU N . 30420 1 163 . 1 . 1 24 24 LYS H H 1 8.372 0.000 . 1 . . . . A 24 LYS H . 30420 1 164 . 1 . 1 24 24 LYS HA H 1 3.836 0.001 . 1 . . . . A 24 LYS HA . 30420 1 165 . 1 . 1 24 24 LYS HB2 H 1 1.813 0.001 . 2 . . . . A 24 LYS HB2 . 30420 1 166 . 1 . 1 24 24 LYS HB3 H 1 1.327 0.002 . 2 . . . . A 24 LYS HB3 . 30420 1 167 . 1 . 1 24 24 LYS HG2 H 1 1.104 0.001 . 2 . . . . A 24 LYS HG2 . 30420 1 168 . 1 . 1 24 24 LYS HG3 H 1 0.477 0.002 . 2 . . . . A 24 LYS HG3 . 30420 1 169 . 1 . 1 24 24 LYS HD2 H 1 1.561 0.000 . 1 . . . . A 24 LYS HD2 . 30420 1 170 . 1 . 1 24 24 LYS HD3 H 1 1.561 0.001 . 1 . . . . A 24 LYS HD3 . 30420 1 171 . 1 . 1 24 24 LYS HE2 H 1 2.873 0.000 . 2 . . . . A 24 LYS HE2 . 30420 1 172 . 1 . 1 24 24 LYS HE3 H 1 2.809 0.000 . 2 . . . . A 24 LYS HE3 . 30420 1 173 . 1 . 1 24 24 LYS N N 15 116.967 0.000 . 1 . . . . A 24 LYS N . 30420 1 174 . 1 . 1 25 25 TYR H H 1 7.133 0.002 . 1 . . . . A 25 TYR H . 30420 1 175 . 1 . 1 25 25 TYR HA H 1 4.071 0.001 . 1 . . . . A 25 TYR HA . 30420 1 176 . 1 . 1 25 25 TYR HB2 H 1 3.094 0.001 . 1 . . . . A 25 TYR HB2 . 30420 1 177 . 1 . 1 25 25 TYR HB3 H 1 2.946 0.001 . 1 . . . . A 25 TYR HB3 . 30420 1 178 . 1 . 1 25 25 TYR HD1 H 1 7.247 0.000 . 1 . . . . A 25 TYR HD1 . 30420 1 179 . 1 . 1 25 25 TYR HD2 H 1 7.247 0.000 . 1 . . . . A 25 TYR HD2 . 30420 1 180 . 1 . 1 25 25 TYR HE1 H 1 6.876 0.002 . 1 . . . . A 25 TYR HE1 . 30420 1 181 . 1 . 1 25 25 TYR HE2 H 1 6.876 0.002 . 1 . . . . A 25 TYR HE2 . 30420 1 182 . 1 . 1 25 25 TYR N N 15 116.390 0.000 . 1 . . . . A 25 TYR N . 30420 1 183 . 1 . 1 26 26 LYS H H 1 8.396 0.000 . 1 . . . . A 26 LYS H . 30420 1 184 . 1 . 1 26 26 LYS HA H 1 3.680 0.001 . 1 . . . . A 26 LYS HA . 30420 1 185 . 1 . 1 26 26 LYS HB2 H 1 1.825 0.000 . 2 . . . . A 26 LYS HB2 . 30420 1 186 . 1 . 1 26 26 LYS HB3 H 1 1.674 0.000 . 2 . . . . A 26 LYS HB3 . 30420 1 187 . 1 . 1 26 26 LYS HG2 H 1 1.301 0.001 . 1 . . . . A 26 LYS HG2 . 30420 1 188 . 1 . 1 26 26 LYS HG3 H 1 1.301 0.001 . 1 . . . . A 26 LYS HG3 . 30420 1 189 . 1 . 1 26 26 LYS HD2 H 1 1.578 0.000 . 1 . . . . A 26 LYS HD2 . 30420 1 190 . 1 . 1 26 26 LYS HD3 H 1 1.578 0.000 . 1 . . . . A 26 LYS HD3 . 30420 1 191 . 1 . 1 26 26 LYS HE2 H 1 2.910 0.002 . 1 . . . . A 26 LYS HE2 . 30420 1 192 . 1 . 1 26 26 LYS HE3 H 1 2.910 0.002 . 1 . . . . A 26 LYS HE3 . 30420 1 193 . 1 . 1 26 26 LYS N N 15 122.952 0.000 . 1 . . . . A 26 LYS N . 30420 1 194 . 1 . 1 27 27 ARG H H 1 7.711 0.001 . 1 . . . . A 27 ARG H . 30420 1 195 . 1 . 1 27 27 ARG HA H 1 4.133 0.000 . 1 . . . . A 27 ARG HA . 30420 1 196 . 1 . 1 27 27 ARG HB2 H 1 1.732 0.000 . 2 . . . . A 27 ARG HB2 . 30420 1 197 . 1 . 1 27 27 ARG HB3 H 1 1.661 0.000 . 2 . . . . A 27 ARG HB3 . 30420 1 198 . 1 . 1 27 27 ARG HG2 H 1 1.639 0.000 . 2 . . . . A 27 ARG HG2 . 30420 1 199 . 1 . 1 27 27 ARG HG3 H 1 1.520 0.000 . 2 . . . . A 27 ARG HG3 . 30420 1 200 . 1 . 1 27 27 ARG HD2 H 1 3.101 0.000 . 1 . . . . A 27 ARG HD2 . 30420 1 201 . 1 . 1 27 27 ARG HD3 H 1 3.100 0.001 . 1 . . . . A 27 ARG HD3 . 30420 1 202 . 1 . 1 27 27 ARG HE H 1 7.496 0.001 . 1 . . . . A 27 ARG HE . 30420 1 203 . 1 . 1 27 27 ARG N N 15 111.907 0.000 . 1 . . . . A 27 ARG N . 30420 1 204 . 1 . 1 27 27 ARG NE N 15 84.8 0.000 . 1 . . . . A 27 ARG NE . 30420 1 205 . 1 . 1 28 28 ASN H H 1 7.155 0.003 . 1 . . . . A 28 ASN H . 30420 1 206 . 1 . 1 28 28 ASN HA H 1 4.551 0.001 . 1 . . . . A 28 ASN HA . 30420 1 207 . 1 . 1 28 28 ASN HB2 H 1 1.561 0.001 . 1 . . . . A 28 ASN HB2 . 30420 1 208 . 1 . 1 28 28 ASN HB3 H 1 0.863 0.001 . 1 . . . . A 28 ASN HB3 . 30420 1 209 . 1 . 1 28 28 ASN HD21 H 1 6.970 0.001 . 1 . . . . A 28 ASN HD21 . 30420 1 210 . 1 . 1 28 28 ASN HD22 H 1 7.149 0.001 . 1 . . . . A 28 ASN HD22 . 30420 1 211 . 1 . 1 28 28 ASN N N 15 113.566 0.000 . 1 . . . . A 28 ASN N . 30420 1 212 . 1 . 1 28 28 ASN ND2 N 15 115.418 0.002 . 1 . . . . A 28 ASN ND2 . 30420 1 213 . 1 . 1 29 29 CYS H H 1 8.136 0.002 . 1 . . . . A 29 CYS H . 30420 1 214 . 1 . 1 29 29 CYS HA H 1 5.283 0.002 . 1 . . . . A 29 CYS HA . 30420 1 215 . 1 . 1 29 29 CYS HB2 H 1 3.394 0.001 . 1 . . . . A 29 CYS HB2 . 30420 1 216 . 1 . 1 29 29 CYS HB3 H 1 3.182 0.001 . 1 . . . . A 29 CYS HB3 . 30420 1 217 . 1 . 1 29 29 CYS N N 15 123.561 0.000 . 1 . . . . A 29 CYS N . 30420 1 218 . 1 . 1 30 30 ALA H H 1 9.155 0.002 . 1 . . . . A 30 ALA H . 30420 1 219 . 1 . 1 30 30 ALA HA H 1 4.019 0.000 . 1 . . . . A 30 ALA HA . 30420 1 220 . 1 . 1 30 30 ALA HB1 H 1 1.493 0.001 . 1 . . . . A 30 ALA HB1 . 30420 1 221 . 1 . 1 30 30 ALA HB2 H 1 1.493 0.001 . 1 . . . . A 30 ALA HB2 . 30420 1 222 . 1 . 1 30 30 ALA HB3 H 1 1.493 0.001 . 1 . . . . A 30 ALA HB3 . 30420 1 223 . 1 . 1 30 30 ALA N N 15 123.513 0.000 . 1 . . . . A 30 ALA N . 30420 1 224 . 1 . 1 31 31 ILE H H 1 7.749 0.001 . 1 . . . . A 31 ILE H . 30420 1 225 . 1 . 1 31 31 ILE HA H 1 4.085 0.000 . 1 . . . . A 31 ILE HA . 30420 1 226 . 1 . 1 31 31 ILE HB H 1 1.806 0.001 . 1 . . . . A 31 ILE HB . 30420 1 227 . 1 . 1 31 31 ILE HG12 H 1 1.415 0.000 . 2 . . . . A 31 ILE HG12 . 30420 1 228 . 1 . 1 31 31 ILE HG13 H 1 1.119 0.003 . 2 . . . . A 31 ILE HG13 . 30420 1 229 . 1 . 1 31 31 ILE HG21 H 1 0.848 0.001 . 1 . . . . A 31 ILE HG21 . 30420 1 230 . 1 . 1 31 31 ILE HG22 H 1 0.848 0.001 . 1 . . . . A 31 ILE HG22 . 30420 1 231 . 1 . 1 31 31 ILE HG23 H 1 0.848 0.001 . 1 . . . . A 31 ILE HG23 . 30420 1 232 . 1 . 1 31 31 ILE HD11 H 1 0.798 0.002 . 1 . . . . A 31 ILE HD11 . 30420 1 233 . 1 . 1 31 31 ILE HD12 H 1 0.798 0.002 . 1 . . . . A 31 ILE HD12 . 30420 1 234 . 1 . 1 31 31 ILE HD13 H 1 0.798 0.002 . 1 . . . . A 31 ILE HD13 . 30420 1 235 . 1 . 1 31 31 ILE N N 15 115.078 0.000 . 1 . . . . A 31 ILE N . 30420 1 236 . 1 . 1 32 32 THR H H 1 9.922 0.001 . 1 . . . . A 32 THR H . 30420 1 237 . 1 . 1 32 32 THR HA H 1 3.795 0.001 . 1 . . . . A 32 THR HA . 30420 1 238 . 1 . 1 32 32 THR HB H 1 3.991 0.000 . 1 . . . . A 32 THR HB . 30420 1 239 . 1 . 1 32 32 THR HG21 H 1 1.052 0.002 . 1 . . . . A 32 THR HG21 . 30420 1 240 . 1 . 1 32 32 THR HG22 H 1 1.052 0.002 . 1 . . . . A 32 THR HG22 . 30420 1 241 . 1 . 1 32 32 THR HG23 H 1 1.052 0.002 . 1 . . . . A 32 THR HG23 . 30420 1 242 . 1 . 1 32 32 THR N N 15 125.063 0.000 . 1 . . . . A 32 THR N . 30420 1 243 . 1 . 1 33 33 CYS H H 1 9.191 0.001 . 1 . . . . A 33 CYS H . 30420 1 244 . 1 . 1 33 33 CYS HA H 1 4.853 0.003 . 1 . . . . A 33 CYS HA . 30420 1 245 . 1 . 1 33 33 CYS HB2 H 1 2.862 0.001 . 1 . . . . A 33 CYS HB2 . 30420 1 246 . 1 . 1 33 33 CYS HB3 H 1 3.298 0.002 . 1 . . . . A 33 CYS HB3 . 30420 1 247 . 1 . 1 33 33 CYS N N 15 113.570 0.000 . 1 . . . . A 33 CYS N . 30420 1 248 . 1 . 1 34 34 GLY H H 1 7.716 0.002 . 1 . . . . A 34 GLY H . 30420 1 249 . 1 . 1 34 34 GLY HA2 H 1 4.005 0.000 . 1 . . . . A 34 GLY HA2 . 30420 1 250 . 1 . 1 34 34 GLY HA3 H 1 4.005 0.000 . 1 . . . . A 34 GLY HA3 . 30420 1 251 . 1 . 1 34 34 GLY N N 15 110.701 0.000 . 1 . . . . A 34 GLY N . 30420 1 252 . 1 . 1 35 35 ALA H H 1 8.821 0.001 . 1 . . . . A 35 ALA H . 30420 1 253 . 1 . 1 35 35 ALA HA H 1 4.529 0.000 . 1 . . . . A 35 ALA HA . 30420 1 254 . 1 . 1 35 35 ALA HB1 H 1 1.448 0.001 . 1 . . . . A 35 ALA HB1 . 30420 1 255 . 1 . 1 35 35 ALA HB2 H 1 1.448 0.001 . 1 . . . . A 35 ALA HB2 . 30420 1 256 . 1 . 1 35 35 ALA HB3 H 1 1.448 0.001 . 1 . . . . A 35 ALA HB3 . 30420 1 257 . 1 . 1 35 35 ALA N N 15 123.990 0.000 . 1 . . . . A 35 ALA N . 30420 1 258 . 1 . 1 36 36 CYS H H 1 7.774 0.002 . 1 . . . . A 36 CYS H . 30420 1 259 . 1 . 1 36 36 CYS HA H 1 4.373 0.000 . 1 . . . . A 36 CYS HA . 30420 1 260 . 1 . 1 36 36 CYS HB2 H 1 3.070 0.000 . 1 . . . . A 36 CYS HB2 . 30420 1 261 . 1 . 1 36 36 CYS HB3 H 1 3.225 0.000 . 1 . . . . A 36 CYS HB3 . 30420 1 262 . 1 . 1 36 36 CYS N N 15 119.195 0.000 . 1 . . . . A 36 CYS N . 30420 1 stop_ save_