################################### # 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 30419 _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' . . . 30419 1 2 '2D 1H-1H TOCSY' . . . 30419 1 3 '2D 1H-1H COSY' . . . 30419 1 4 '2D DQF-COSY' . . . 30419 1 5 '2D 1H-1H NOESY' . . . 30419 1 6 '2D 1H-1H NOESY' . . . 30419 1 7 '2D 1H-15N HSQC' . . . 30419 1 8 '2D 1H-13C HSQC' . . . 30419 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 4.068 0.000 . 1 . . . . A 1 ALA HA . 30419 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.483 0.000 . 1 . . . . A 1 ALA HB1 . 30419 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.483 0.000 . 1 . . . . A 1 ALA HB2 . 30419 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.483 0.000 . 1 . . . . A 1 ALA HB3 . 30419 1 5 . 1 . 1 2 2 CYS H H 1 8.817 0.001 . 1 . . . . A 2 CYS H . 30419 1 6 . 1 . 1 2 2 CYS HA H 1 4.582 0.000 . 1 . . . . A 2 CYS HA . 30419 1 7 . 1 . 1 2 2 CYS HB2 H 1 3.254 0.000 . 2 . . . . A 2 CYS HB2 . 30419 1 8 . 1 . 1 2 2 CYS HB3 H 1 2.944 0.000 . 2 . . . . A 2 CYS HB3 . 30419 1 9 . 1 . 1 2 2 CYS N N 15 121.428 0.000 . 1 . . . . A 2 CYS N . 30419 1 10 . 1 . 1 3 3 LYS H H 1 8.318 0.001 . 1 . . . . A 3 LYS H . 30419 1 11 . 1 . 1 3 3 LYS HA H 1 4.647 0.001 . 1 . . . . A 3 LYS HA . 30419 1 12 . 1 . 1 3 3 LYS HB2 H 1 1.814 0.000 . 2 . . . . A 3 LYS HB2 . 30419 1 13 . 1 . 1 3 3 LYS HB3 H 1 1.691 0.000 . 2 . . . . A 3 LYS HB3 . 30419 1 14 . 1 . 1 3 3 LYS HG2 H 1 1.413 0.000 . 2 . . . . A 3 LYS HG2 . 30419 1 15 . 1 . 1 3 3 LYS HG3 H 1 1.176 0.000 . 2 . . . . A 3 LYS HG3 . 30419 1 16 . 1 . 1 3 3 LYS HD2 H 1 1.672 0.000 . 1 . . . . A 3 LYS HD2 . 30419 1 17 . 1 . 1 3 3 LYS HD3 H 1 1.672 0.000 . 1 . . . . A 3 LYS HD3 . 30419 1 18 . 1 . 1 3 3 LYS HE2 H 1 2.969 0.000 . 1 . . . . A 3 LYS HE2 . 30419 1 19 . 1 . 1 3 3 LYS HE3 H 1 2.969 0.000 . 1 . . . . A 3 LYS HE3 . 30419 1 20 . 1 . 1 3 3 LYS N N 15 124.270 0.000 . 1 . . . . A 3 LYS N . 30419 1 21 . 1 . 1 4 4 ASP H H 1 8.808 0.001 . 1 . . . . A 4 ASP H . 30419 1 22 . 1 . 1 4 4 ASP HA H 1 4.780 0.001 . 1 . . . . A 4 ASP HA . 30419 1 23 . 1 . 1 4 4 ASP HB2 H 1 2.723 0.001 . 1 . . . . A 4 ASP HB2 . 30419 1 24 . 1 . 1 4 4 ASP HB3 H 1 3.127 0.000 . 1 . . . . A 4 ASP HB3 . 30419 1 25 . 1 . 1 4 4 ASP N N 15 122.928 0.000 . 1 . . . . A 4 ASP N . 30419 1 26 . 1 . 1 5 5 VAL H H 1 8.243 0.002 . 1 . . . . A 5 VAL H . 30419 1 27 . 1 . 1 5 5 VAL HA H 1 3.954 0.002 . 1 . . . . A 5 VAL HA . 30419 1 28 . 1 . 1 5 5 VAL HB H 1 2.061 0.002 . 1 . . . . A 5 VAL HB . 30419 1 29 . 1 . 1 5 5 VAL HG11 H 1 1.064 0.000 . 2 . . . . A 5 VAL HG11 . 30419 1 30 . 1 . 1 5 5 VAL HG12 H 1 1.064 0.000 . 2 . . . . A 5 VAL HG12 . 30419 1 31 . 1 . 1 5 5 VAL HG13 H 1 1.064 0.000 . 2 . . . . A 5 VAL HG13 . 30419 1 32 . 1 . 1 5 5 VAL HG21 H 1 1.006 0.000 . 2 . . . . A 5 VAL HG21 . 30419 1 33 . 1 . 1 5 5 VAL HG22 H 1 1.006 0.000 . 2 . . . . A 5 VAL HG22 . 30419 1 34 . 1 . 1 5 5 VAL HG23 H 1 1.006 0.000 . 2 . . . . A 5 VAL HG23 . 30419 1 35 . 1 . 1 5 5 VAL N N 15 126.279 0.000 . 1 . . . . A 5 VAL N . 30419 1 36 . 1 . 1 6 6 PHE H H 1 8.083 0.001 . 1 . . . . A 6 PHE H . 30419 1 37 . 1 . 1 6 6 PHE HA H 1 5.235 0.001 . 1 . . . . A 6 PHE HA . 30419 1 38 . 1 . 1 6 6 PHE HB2 H 1 3.291 0.001 . 2 . . . . A 6 PHE HB2 . 30419 1 39 . 1 . 1 6 6 PHE HB3 H 1 3.178 0.002 . 2 . . . . A 6 PHE HB3 . 30419 1 40 . 1 . 1 6 6 PHE HD1 H 1 7.241 0.001 . 1 . . . . A 6 PHE HD1 . 30419 1 41 . 1 . 1 6 6 PHE HD2 H 1 7.241 0.001 . 1 . . . . A 6 PHE HD2 . 30419 1 42 . 1 . 1 6 6 PHE HE1 H 1 7.062 0.001 . 1 . . . . A 6 PHE HE1 . 30419 1 43 . 1 . 1 6 6 PHE HE2 H 1 7.062 0.001 . 1 . . . . A 6 PHE HE2 . 30419 1 44 . 1 . 1 6 6 PHE N N 15 119.262 0.000 . 1 . . . . A 6 PHE N . 30419 1 45 . 1 . 1 7 7 PRO HA H 1 4.525 0.000 . 1 . . . . A 7 PRO HA . 30419 1 46 . 1 . 1 7 7 PRO HB2 H 1 2.572 0.002 . 2 . . . . A 7 PRO HB2 . 30419 1 47 . 1 . 1 7 7 PRO HB3 H 1 1.984 0.001 . 2 . . . . A 7 PRO HB3 . 30419 1 48 . 1 . 1 7 7 PRO HG2 H 1 2.145 0.001 . 1 . . . . A 7 PRO HG2 . 30419 1 49 . 1 . 1 7 7 PRO HG3 H 1 2.145 0.001 . 1 . . . . A 7 PRO HG3 . 30419 1 50 . 1 . 1 7 7 PRO HD2 H 1 4.041 0.001 . 2 . . . . A 7 PRO HD2 . 30419 1 51 . 1 . 1 7 7 PRO HD3 H 1 3.501 0.001 . 2 . . . . A 7 PRO HD3 . 30419 1 52 . 1 . 1 8 8 ALA H H 1 8.725 0.001 . 1 . . . . A 8 ALA H . 30419 1 53 . 1 . 1 8 8 ALA HA H 1 4.239 0.000 . 1 . . . . A 8 ALA HA . 30419 1 54 . 1 . 1 8 8 ALA HB1 H 1 1.491 0.001 . 1 . . . . A 8 ALA HB1 . 30419 1 55 . 1 . 1 8 8 ALA HB2 H 1 1.491 0.001 . 1 . . . . A 8 ALA HB2 . 30419 1 56 . 1 . 1 8 8 ALA HB3 H 1 1.491 0.001 . 1 . . . . A 8 ALA HB3 . 30419 1 57 . 1 . 1 8 8 ALA N N 15 126.812 0.000 . 1 . . . . A 8 ALA N . 30419 1 58 . 1 . 1 9 9 ALA H H 1 9.176 0.001 . 1 . . . . A 9 ALA H . 30419 1 59 . 1 . 1 9 9 ALA HA H 1 4.085 0.001 . 1 . . . . A 9 ALA HA . 30419 1 60 . 1 . 1 9 9 ALA HB1 H 1 1.473 0.001 . 1 . . . . A 9 ALA HB1 . 30419 1 61 . 1 . 1 9 9 ALA HB2 H 1 1.473 0.001 . 1 . . . . A 9 ALA HB2 . 30419 1 62 . 1 . 1 9 9 ALA HB3 H 1 1.473 0.001 . 1 . . . . A 9 ALA HB3 . 30419 1 63 . 1 . 1 9 9 ALA N N 15 118.012 0.000 . 1 . . . . A 9 ALA N . 30419 1 64 . 1 . 1 10 10 THR H H 1 7.231 0.001 . 1 . . . . A 10 THR H . 30419 1 65 . 1 . 1 10 10 THR HA H 1 4.086 0.002 . 1 . . . . A 10 THR HA . 30419 1 66 . 1 . 1 10 10 THR HB H 1 4.437 0.001 . 1 . . . . A 10 THR HB . 30419 1 67 . 1 . 1 10 10 THR HG21 H 1 1.282 0.001 . 1 . . . . A 10 THR HG21 . 30419 1 68 . 1 . 1 10 10 THR HG22 H 1 1.282 0.001 . 1 . . . . A 10 THR HG22 . 30419 1 69 . 1 . 1 10 10 THR HG23 H 1 1.282 0.001 . 1 . . . . A 10 THR HG23 . 30419 1 70 . 1 . 1 10 10 THR N N 15 115.850 0.000 . 1 . . . . A 10 THR N . 30419 1 71 . 1 . 1 11 11 CYS H H 1 8.427 0.000 . 1 . . . . A 11 CYS H . 30419 1 72 . 1 . 1 11 11 CYS HA H 1 4.781 0.002 . 1 . . . . A 11 CYS HA . 30419 1 73 . 1 . 1 11 11 CYS HB2 H 1 2.933 0.003 . 1 . . . . A 11 CYS HB2 . 30419 1 74 . 1 . 1 11 11 CYS HB3 H 1 2.933 0.003 . 1 . . . . A 11 CYS HB3 . 30419 1 75 . 1 . 1 11 11 CYS N N 15 121.787 0.000 . 1 . . . . A 11 CYS N . 30419 1 76 . 1 . 1 12 12 ARG H H 1 9.278 0.001 . 1 . . . . A 12 ARG H . 30419 1 77 . 1 . 1 12 12 ARG HA H 1 3.903 0.000 . 1 . . . . A 12 ARG HA . 30419 1 78 . 1 . 1 12 12 ARG HB2 H 1 1.934 0.004 . 1 . . . . A 12 ARG HB2 . 30419 1 79 . 1 . 1 12 12 ARG HB3 H 1 1.934 0.004 . 1 . . . . A 12 ARG HB3 . 30419 1 80 . 1 . 1 12 12 ARG HG2 H 1 1.631 0.000 . 2 . . . . A 12 ARG HG2 . 30419 1 81 . 1 . 1 12 12 ARG HG3 H 1 1.874 0.000 . 2 . . . . A 12 ARG HG3 . 30419 1 82 . 1 . 1 12 12 ARG HD2 H 1 3.155 0.000 . 2 . . . . A 12 ARG HD2 . 30419 1 83 . 1 . 1 12 12 ARG HD3 H 1 3.261 0.002 . 2 . . . . A 12 ARG HD3 . 30419 1 84 . 1 . 1 12 12 ARG HE H 1 7.349 0.002 . 1 . . . . A 12 ARG HE . 30419 1 85 . 1 . 1 12 12 ARG N N 15 121.490 0.000 . 1 . . . . A 12 ARG N . 30419 1 86 . 1 . 1 12 12 ARG NE N 15 84.1 0.000 . 1 . . . . A 12 ARG NE . 30419 1 87 . 1 . 1 13 13 HIS H H 1 7.814 0.001 . 1 . . . . A 13 HIS H . 30419 1 88 . 1 . 1 13 13 HIS HA H 1 4.326 0.001 . 1 . . . . A 13 HIS HA . 30419 1 89 . 1 . 1 13 13 HIS HB2 H 1 3.359 0.001 . 1 . . . . A 13 HIS HB2 . 30419 1 90 . 1 . 1 13 13 HIS HB3 H 1 3.358 0.001 . 1 . . . . A 13 HIS HB3 . 30419 1 91 . 1 . 1 13 13 HIS HD2 H 1 7.301 0.000 . 1 . . . . A 13 HIS HD2 . 30419 1 92 . 1 . 1 13 13 HIS HE1 H 1 8.501 0.000 . 1 . . . . A 13 HIS HE1 . 30419 1 93 . 1 . 1 13 13 HIS N N 15 118.454 0.000 . 1 . . . . A 13 HIS N . 30419 1 94 . 1 . 1 14 14 ALA H H 1 8.045 0.001 . 1 . . . . A 14 ALA H . 30419 1 95 . 1 . 1 14 14 ALA HA H 1 3.750 0.001 . 1 . . . . A 14 ALA HA . 30419 1 96 . 1 . 1 14 14 ALA HB1 H 1 0.854 0.001 . 1 . . . . A 14 ALA HB1 . 30419 1 97 . 1 . 1 14 14 ALA HB2 H 1 0.854 0.001 . 1 . . . . A 14 ALA HB2 . 30419 1 98 . 1 . 1 14 14 ALA HB3 H 1 0.854 0.001 . 1 . . . . A 14 ALA HB3 . 30419 1 99 . 1 . 1 14 14 ALA N N 15 121.430 0.000 . 1 . . . . A 14 ALA N . 30419 1 100 . 1 . 1 15 15 LYS H H 1 8.062 0.001 . 1 . . . . A 15 LYS H . 30419 1 101 . 1 . 1 15 15 LYS HA H 1 4.126 0.001 . 1 . . . . A 15 LYS HA . 30419 1 102 . 1 . 1 15 15 LYS HB2 H 1 1.937 0.000 . 1 . . . . A 15 LYS HB2 . 30419 1 103 . 1 . 1 15 15 LYS HB3 H 1 1.937 0.000 . 1 . . . . A 15 LYS HB3 . 30419 1 104 . 1 . 1 15 15 LYS HG2 H 1 1.382 0.000 . 1 . . . . A 15 LYS HG2 . 30419 1 105 . 1 . 1 15 15 LYS HG3 H 1 1.382 0.001 . 1 . . . . A 15 LYS HG3 . 30419 1 106 . 1 . 1 15 15 LYS HD2 H 1 1.592 0.002 . 2 . . . . A 15 LYS HD2 . 30419 1 107 . 1 . 1 15 15 LYS HD3 H 1 1.722 0.002 . 2 . . . . A 15 LYS HD3 . 30419 1 108 . 1 . 1 15 15 LYS HE2 H 1 3.016 0.001 . 2 . . . . A 15 LYS HE2 . 30419 1 109 . 1 . 1 15 15 LYS HE3 H 1 2.899 0.001 . 2 . . . . A 15 LYS HE3 . 30419 1 110 . 1 . 1 15 15 LYS HZ1 H 1 7.598 0.000 . 1 . . . . A 15 LYS HZ1 . 30419 1 111 . 1 . 1 15 15 LYS HZ2 H 1 7.598 0.000 . 1 . . . . A 15 LYS HZ2 . 30419 1 112 . 1 . 1 15 15 LYS HZ3 H 1 7.598 0.000 . 1 . . . . A 15 LYS HZ3 . 30419 1 113 . 1 . 1 15 15 LYS N N 15 117.531 0.000 . 1 . . . . A 15 LYS N . 30419 1 114 . 1 . 1 16 16 SER H H 1 7.911 0.001 . 1 . . . . A 16 SER H . 30419 1 115 . 1 . 1 16 16 SER HA H 1 4.217 0.000 . 1 . . . . A 16 SER HA . 30419 1 116 . 1 . 1 16 16 SER HB2 H 1 3.985 0.001 . 1 . . . . A 16 SER HB2 . 30419 1 117 . 1 . 1 16 16 SER HB3 H 1 3.985 0.001 . 1 . . . . A 16 SER HB3 . 30419 1 118 . 1 . 1 16 16 SER N N 15 116.252 0.000 . 1 . . . . A 16 SER N . 30419 1 119 . 1 . 1 17 17 VAL H H 1 7.304 0.002 . 1 . . . . A 17 VAL H . 30419 1 120 . 1 . 1 17 17 VAL HA H 1 4.509 0.001 . 1 . . . . A 17 VAL HA . 30419 1 121 . 1 . 1 17 17 VAL HB H 1 2.385 0.001 . 1 . . . . A 17 VAL HB . 30419 1 122 . 1 . 1 17 17 VAL HG11 H 1 0.667 0.000 . 2 . . . . A 17 VAL HG11 . 30419 1 123 . 1 . 1 17 17 VAL HG12 H 1 0.667 0.000 . 2 . . . . A 17 VAL HG12 . 30419 1 124 . 1 . 1 17 17 VAL HG13 H 1 0.667 0.000 . 2 . . . . A 17 VAL HG13 . 30419 1 125 . 1 . 1 17 17 VAL HG21 H 1 0.621 0.000 . 2 . . . . A 17 VAL HG21 . 30419 1 126 . 1 . 1 17 17 VAL HG22 H 1 0.621 0.000 . 2 . . . . A 17 VAL HG22 . 30419 1 127 . 1 . 1 17 17 VAL HG23 H 1 0.621 0.000 . 2 . . . . A 17 VAL HG23 . 30419 1 128 . 1 . 1 17 17 VAL N N 15 111.048 0.000 . 1 . . . . A 17 VAL N . 30419 1 129 . 1 . 1 18 18 GLY H H 1 7.412 0.001 . 1 . . . . A 18 GLY H . 30419 1 130 . 1 . 1 18 18 GLY HA2 H 1 4.319 0.001 . 2 . . . . A 18 GLY HA2 . 30419 1 131 . 1 . 1 18 18 GLY HA3 H 1 3.998 0.000 . 2 . . . . A 18 GLY HA3 . 30419 1 132 . 1 . 1 18 18 GLY N N 15 107.839 0.000 . 1 . . . . A 18 GLY N . 30419 1 133 . 1 . 1 19 19 ASN H H 1 8.203 0.001 . 1 . . . . A 19 ASN H . 30419 1 134 . 1 . 1 19 19 ASN HA H 1 5.038 0.001 . 1 . . . . A 19 ASN HA . 30419 1 135 . 1 . 1 19 19 ASN HB2 H 1 2.110 0.001 . 1 . . . . A 19 ASN HB2 . 30419 1 136 . 1 . 1 19 19 ASN HB3 H 1 2.819 0.001 . 1 . . . . A 19 ASN HB3 . 30419 1 137 . 1 . 1 19 19 ASN HD21 H 1 6.937 0.002 . 1 . . . . A 19 ASN HD21 . 30419 1 138 . 1 . 1 19 19 ASN HD22 H 1 7.049 0.002 . 1 . . . . A 19 ASN HD22 . 30419 1 139 . 1 . 1 19 19 ASN N N 15 116.457 0.000 . 1 . . . . A 19 ASN N . 30419 1 140 . 1 . 1 19 19 ASN ND2 N 15 110.079 0.000 . 1 . . . . A 19 ASN ND2 . 30419 1 141 . 1 . 1 20 20 CYS H H 1 8.611 0.001 . 1 . . . . A 20 CYS H . 30419 1 142 . 1 . 1 20 20 CYS HA H 1 4.556 0.000 . 1 . . . . A 20 CYS HA . 30419 1 143 . 1 . 1 20 20 CYS HB2 H 1 3.169 0.000 . 1 . . . . A 20 CYS HB2 . 30419 1 144 . 1 . 1 20 20 CYS HB3 H 1 3.083 0.000 . 1 . . . . A 20 CYS HB3 . 30419 1 145 . 1 . 1 20 20 CYS N N 15 117.421 0.000 . 1 . . . . A 20 CYS N . 30419 1 146 . 1 . 1 21 21 SER H H 1 7.563 0.001 . 1 . . . . A 21 SER H . 30419 1 147 . 1 . 1 21 21 SER HA H 1 4.361 0.001 . 1 . . . . A 21 SER HA . 30419 1 148 . 1 . 1 21 21 SER HB2 H 1 3.923 0.000 . 2 . . . . A 21 SER HB2 . 30419 1 149 . 1 . 1 21 21 SER HB3 H 1 4.051 0.000 . 2 . . . . A 21 SER HB3 . 30419 1 150 . 1 . 1 21 21 SER N N 15 110.922 0.000 . 1 . . . . A 21 SER N . 30419 1 151 . 1 . 1 22 22 SER H H 1 7.807 0.001 . 1 . . . . A 22 SER H . 30419 1 152 . 1 . 1 22 22 SER HA H 1 4.694 0.001 . 1 . . . . A 22 SER HA . 30419 1 153 . 1 . 1 22 22 SER HB2 H 1 4.275 0.001 . 1 . . . . A 22 SER HB2 . 30419 1 154 . 1 . 1 22 22 SER HB3 H 1 4.275 0.001 . 1 . . . . A 22 SER HB3 . 30419 1 155 . 1 . 1 22 22 SER HG H 1 5.851 0.000 . 1 . . . . A 22 SER HG . 30419 1 156 . 1 . 1 22 22 SER N N 15 118.095 0.000 . 1 . . . . A 22 SER N . 30419 1 157 . 1 . 1 23 23 GLU H H 1 9.192 0.001 . 1 . . . . A 23 GLU H . 30419 1 158 . 1 . 1 23 23 GLU HA H 1 3.907 0.001 . 1 . . . . A 23 GLU HA . 30419 1 159 . 1 . 1 23 23 GLU HB2 H 1 2.121 0.002 . 2 . . . . A 23 GLU HB2 . 30419 1 160 . 1 . 1 23 23 GLU HB3 H 1 2.011 0.001 . 2 . . . . A 23 GLU HB3 . 30419 1 161 . 1 . 1 23 23 GLU HG2 H 1 2.325 0.001 . 1 . . . . A 23 GLU HG2 . 30419 1 162 . 1 . 1 23 23 GLU HG3 H 1 2.325 0.001 . 1 . . . . A 23 GLU HG3 . 30419 1 163 . 1 . 1 23 23 GLU N N 15 127.781 0.000 . 1 . . . . A 23 GLU N . 30419 1 164 . 1 . 1 24 24 LYS H H 1 8.377 0.001 . 1 . . . . A 24 LYS H . 30419 1 165 . 1 . 1 24 24 LYS HA H 1 3.838 0.000 . 1 . . . . A 24 LYS HA . 30419 1 166 . 1 . 1 24 24 LYS HB2 H 1 1.821 0.002 . 2 . . . . A 24 LYS HB2 . 30419 1 167 . 1 . 1 24 24 LYS HB3 H 1 1.331 0.001 . 2 . . . . A 24 LYS HB3 . 30419 1 168 . 1 . 1 24 24 LYS HG2 H 1 1.104 0.000 . 2 . . . . A 24 LYS HG2 . 30419 1 169 . 1 . 1 24 24 LYS HG3 H 1 0.486 0.001 . 2 . . . . A 24 LYS HG3 . 30419 1 170 . 1 . 1 24 24 LYS HD2 H 1 1.560 0.000 . 1 . . . . A 24 LYS HD2 . 30419 1 171 . 1 . 1 24 24 LYS HD3 H 1 1.560 0.000 . 1 . . . . A 24 LYS HD3 . 30419 1 172 . 1 . 1 24 24 LYS HE2 H 1 2.882 0.002 . 2 . . . . A 24 LYS HE2 . 30419 1 173 . 1 . 1 24 24 LYS HE3 H 1 2.815 0.000 . 2 . . . . A 24 LYS HE3 . 30419 1 174 . 1 . 1 24 24 LYS N N 15 116.904 0.000 . 1 . . . . A 24 LYS N . 30419 1 175 . 1 . 1 25 25 TYR H H 1 7.121 0.001 . 1 . . . . A 25 TYR H . 30419 1 176 . 1 . 1 25 25 TYR HA H 1 4.075 0.002 . 1 . . . . A 25 TYR HA . 30419 1 177 . 1 . 1 25 25 TYR HB2 H 1 3.099 0.001 . 1 . . . . A 25 TYR HB2 . 30419 1 178 . 1 . 1 25 25 TYR HB3 H 1 2.943 0.000 . 1 . . . . A 25 TYR HB3 . 30419 1 179 . 1 . 1 25 25 TYR HD1 H 1 7.262 0.000 . 1 . . . . A 25 TYR HD1 . 30419 1 180 . 1 . 1 25 25 TYR HD2 H 1 7.262 0.000 . 1 . . . . A 25 TYR HD2 . 30419 1 181 . 1 . 1 25 25 TYR HE1 H 1 6.873 0.001 . 1 . . . . A 25 TYR HE1 . 30419 1 182 . 1 . 1 25 25 TYR HE2 H 1 6.873 0.001 . 1 . . . . A 25 TYR HE2 . 30419 1 183 . 1 . 1 25 25 TYR N N 15 116.273 0.000 . 1 . . . . A 25 TYR N . 30419 1 184 . 1 . 1 26 26 LYS H H 1 8.381 0.001 . 1 . . . . A 26 LYS H . 30419 1 185 . 1 . 1 26 26 LYS HA H 1 3.637 0.001 . 1 . . . . A 26 LYS HA . 30419 1 186 . 1 . 1 26 26 LYS HB2 H 1 1.803 0.000 . 2 . . . . A 26 LYS HB2 . 30419 1 187 . 1 . 1 26 26 LYS HB3 H 1 1.666 0.000 . 2 . . . . A 26 LYS HB3 . 30419 1 188 . 1 . 1 26 26 LYS HG2 H 1 1.252 0.000 . 1 . . . . A 26 LYS HG2 . 30419 1 189 . 1 . 1 26 26 LYS HG3 H 1 1.252 0.000 . 1 . . . . A 26 LYS HG3 . 30419 1 190 . 1 . 1 26 26 LYS HD2 H 1 1.593 0.000 . 1 . . . . A 26 LYS HD2 . 30419 1 191 . 1 . 1 26 26 LYS HD3 H 1 1.593 0.000 . 1 . . . . A 26 LYS HD3 . 30419 1 192 . 1 . 1 26 26 LYS HE2 H 1 2.910 0.001 . 1 . . . . A 26 LYS HE2 . 30419 1 193 . 1 . 1 26 26 LYS HE3 H 1 2.910 0.001 . 1 . . . . A 26 LYS HE3 . 30419 1 194 . 1 . 1 26 26 LYS N N 15 122.853 0.000 . 1 . . . . A 26 LYS N . 30419 1 195 . 1 . 1 27 27 ARG H H 1 7.724 0.001 . 1 . . . . A 27 ARG H . 30419 1 196 . 1 . 1 27 27 ARG HA H 1 4.101 0.000 . 1 . . . . A 27 ARG HA . 30419 1 197 . 1 . 1 27 27 ARG HB2 H 1 1.729 0.001 . 2 . . . . A 27 ARG HB2 . 30419 1 198 . 1 . 1 27 27 ARG HB3 H 1 1.674 0.000 . 2 . . . . A 27 ARG HB3 . 30419 1 199 . 1 . 1 27 27 ARG HG2 H 1 1.656 0.001 . 2 . . . . A 27 ARG HG2 . 30419 1 200 . 1 . 1 27 27 ARG HG3 H 1 1.544 0.000 . 2 . . . . A 27 ARG HG3 . 30419 1 201 . 1 . 1 27 27 ARG HD2 H 1 3.108 0.000 . 1 . . . . A 27 ARG HD2 . 30419 1 202 . 1 . 1 27 27 ARG HD3 H 1 3.108 0.000 . 1 . . . . A 27 ARG HD3 . 30419 1 203 . 1 . 1 27 27 ARG HE H 1 7.511 0.001 . 1 . . . . A 27 ARG HE . 30419 1 204 . 1 . 1 27 27 ARG N N 15 111.757 0.000 . 1 . . . . A 27 ARG N . 30419 1 205 . 1 . 1 27 27 ARG NE N 15 84.8 0.000 . 1 . . . . A 27 ARG NE . 30419 1 206 . 1 . 1 28 28 ASN H H 1 7.117 0.001 . 1 . . . . A 28 ASN H . 30419 1 207 . 1 . 1 28 28 ASN HA H 1 4.559 0.000 . 1 . . . . A 28 ASN HA . 30419 1 208 . 1 . 1 28 28 ASN HB2 H 1 1.555 0.000 . 1 . . . . A 28 ASN HB2 . 30419 1 209 . 1 . 1 28 28 ASN HB3 H 1 0.872 0.001 . 1 . . . . A 28 ASN HB3 . 30419 1 210 . 1 . 1 28 28 ASN HD21 H 1 6.969 0.002 . 1 . . . . A 28 ASN HD21 . 30419 1 211 . 1 . 1 28 28 ASN HD22 H 1 7.178 0.001 . 1 . . . . A 28 ASN HD22 . 30419 1 212 . 1 . 1 28 28 ASN N N 15 113.368 0.000 . 1 . . . . A 28 ASN N . 30419 1 213 . 1 . 1 28 28 ASN ND2 N 15 115.387 0.002 . 1 . . . . A 28 ASN ND2 . 30419 1 214 . 1 . 1 29 29 CYS H H 1 8.100 0.002 . 1 . . . . A 29 CYS H . 30419 1 215 . 1 . 1 29 29 CYS HA H 1 5.306 0.001 . 1 . . . . A 29 CYS HA . 30419 1 216 . 1 . 1 29 29 CYS HB2 H 1 3.434 0.002 . 1 . . . . A 29 CYS HB2 . 30419 1 217 . 1 . 1 29 29 CYS HB3 H 1 3.185 0.001 . 1 . . . . A 29 CYS HB3 . 30419 1 218 . 1 . 1 29 29 CYS N N 15 123.476 0.000 . 1 . . . . A 29 CYS N . 30419 1 219 . 1 . 1 30 30 ALA H H 1 9.294 0.002 . 1 . . . . A 30 ALA H . 30419 1 220 . 1 . 1 30 30 ALA HA H 1 3.985 0.000 . 1 . . . . A 30 ALA HA . 30419 1 221 . 1 . 1 30 30 ALA HB1 H 1 1.414 0.001 . 1 . . . . A 30 ALA HB1 . 30419 1 222 . 1 . 1 30 30 ALA HB2 H 1 1.414 0.001 . 1 . . . . A 30 ALA HB2 . 30419 1 223 . 1 . 1 30 30 ALA HB3 H 1 1.414 0.001 . 1 . . . . A 30 ALA HB3 . 30419 1 224 . 1 . 1 30 30 ALA N N 15 123.715 0.000 . 1 . . . . A 30 ALA N . 30419 1 225 . 1 . 1 31 31 ILE H H 1 7.732 0.001 . 1 . . . . A 31 ILE H . 30419 1 226 . 1 . 1 31 31 ILE HA H 1 4.074 0.002 . 1 . . . . A 31 ILE HA . 30419 1 227 . 1 . 1 31 31 ILE HB H 1 1.822 0.001 . 1 . . . . A 31 ILE HB . 30419 1 228 . 1 . 1 31 31 ILE HG12 H 1 1.137 0.001 . 1 . . . . A 31 ILE HG12 . 30419 1 229 . 1 . 1 31 31 ILE HG13 H 1 1.451 0.000 . 1 . . . . A 31 ILE HG13 . 30419 1 230 . 1 . 1 31 31 ILE HG21 H 1 0.850 0.000 . 1 . . . . A 31 ILE HG21 . 30419 1 231 . 1 . 1 31 31 ILE HG22 H 1 0.850 0.000 . 1 . . . . A 31 ILE HG22 . 30419 1 232 . 1 . 1 31 31 ILE HG23 H 1 0.850 0.000 . 1 . . . . A 31 ILE HG23 . 30419 1 233 . 1 . 1 31 31 ILE HD11 H 1 0.835 0.001 . 1 . . . . A 31 ILE HD11 . 30419 1 234 . 1 . 1 31 31 ILE HD12 H 1 0.835 0.001 . 1 . . . . A 31 ILE HD12 . 30419 1 235 . 1 . 1 31 31 ILE HD13 H 1 0.835 0.001 . 1 . . . . A 31 ILE HD13 . 30419 1 236 . 1 . 1 31 31 ILE N N 15 115.212 0.000 . 1 . . . . A 31 ILE N . 30419 1 237 . 1 . 1 32 32 THR H H 1 9.917 0.001 . 1 . . . . A 32 THR H . 30419 1 238 . 1 . 1 32 32 THR HA H 1 3.795 0.002 . 1 . . . . A 32 THR HA . 30419 1 239 . 1 . 1 32 32 THR HB H 1 3.990 0.001 . 1 . . . . A 32 THR HB . 30419 1 240 . 1 . 1 32 32 THR HG21 H 1 1.056 0.001 . 1 . . . . A 32 THR HG21 . 30419 1 241 . 1 . 1 32 32 THR HG22 H 1 1.056 0.001 . 1 . . . . A 32 THR HG22 . 30419 1 242 . 1 . 1 32 32 THR HG23 H 1 1.056 0.001 . 1 . . . . A 32 THR HG23 . 30419 1 243 . 1 . 1 32 32 THR N N 15 124.839 0.000 . 1 . . . . A 32 THR N . 30419 1 244 . 1 . 1 33 33 CYS H H 1 9.267 0.001 . 1 . . . . A 33 CYS H . 30419 1 245 . 1 . 1 33 33 CYS HA H 1 4.850 0.001 . 1 . . . . A 33 CYS HA . 30419 1 246 . 1 . 1 33 33 CYS HB2 H 1 2.839 0.001 . 1 . . . . A 33 CYS HB2 . 30419 1 247 . 1 . 1 33 33 CYS HB3 H 1 3.277 0.001 . 1 . . . . A 33 CYS HB3 . 30419 1 248 . 1 . 1 33 33 CYS N N 15 113.494 0.000 . 1 . . . . A 33 CYS N . 30419 1 249 . 1 . 1 34 34 GLY H H 1 7.775 0.001 . 1 . . . . A 34 GLY H . 30419 1 250 . 1 . 1 34 34 GLY HA2 H 1 3.916 0.000 . 2 . . . . A 34 GLY HA2 . 30419 1 251 . 1 . 1 34 34 GLY HA3 H 1 4.091 0.000 . 2 . . . . A 34 GLY HA3 . 30419 1 252 . 1 . 1 34 34 GLY N N 15 111.740 0.000 . 1 . . . . A 34 GLY N . 30419 1 253 . 1 . 1 35 35 ALA H H 1 9.170 0.001 . 1 . . . . A 35 ALA H . 30419 1 254 . 1 . 1 35 35 ALA HA H 1 4.596 0.000 . 1 . . . . A 35 ALA HA . 30419 1 255 . 1 . 1 35 35 ALA HB1 H 1 1.375 0.002 . 1 . . . . A 35 ALA HB1 . 30419 1 256 . 1 . 1 35 35 ALA HB2 H 1 1.375 0.002 . 1 . . . . A 35 ALA HB2 . 30419 1 257 . 1 . 1 35 35 ALA HB3 H 1 1.375 0.002 . 1 . . . . A 35 ALA HB3 . 30419 1 258 . 1 . 1 35 35 ALA N N 15 123.161 0.000 . 1 . . . . A 35 ALA N . 30419 1 259 . 1 . 1 36 36 CYS H H 1 7.835 0.002 . 1 . . . . A 36 CYS H . 30419 1 260 . 1 . 1 36 36 CYS HA H 1 4.326 0.001 . 1 . . . . A 36 CYS HA . 30419 1 261 . 1 . 1 36 36 CYS HB2 H 1 3.071 0.000 . 1 . . . . A 36 CYS HB2 . 30419 1 262 . 1 . 1 36 36 CYS HB3 H 1 3.175 0.000 . 1 . . . . A 36 CYS HB3 . 30419 1 263 . 1 . 1 36 36 CYS N N 15 122.603 0.000 . 1 . . . . A 36 CYS N . 30419 1 stop_ save_