################################### # 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 34027 _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 NOESY . . . 34027 1 2 '2D 1H-1H TOCSY' . . . 34027 1 3 '3D 1H-15N NOESY' . . . 34027 1 4 '3D 1H-15N TOCSY' . . . 34027 1 5 '2D 1H-15N HSQC' . . . 34027 1 6 '2D 1H-13C HSQC' . . . 34027 1 7 '2D DQF-COSY' . . . 34027 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 3 3 ASP H H 1 8.460 0.020 . 1 . . . . A 3 ASP H . 34027 1 2 . 1 . 1 3 3 ASP HA H 1 4.683 0.020 . 1 . . . . A 3 ASP HA . 34027 1 3 . 1 . 1 3 3 ASP HB2 H 1 2.842 0.020 . 2 . . . . A 3 ASP HB2 . 34027 1 4 . 1 . 1 3 3 ASP HB3 H 1 2.722 0.020 . 2 . . . . A 3 ASP HB3 . 34027 1 5 . 1 . 1 3 3 ASP N N 15 122.927 0.400 . 1 . . . . A 3 ASP N . 34027 1 6 . 1 . 1 4 4 ARG H H 1 8.409 0.020 . 1 . . . . A 4 ARG H . 34027 1 7 . 1 . 1 4 4 ARG HA H 1 3.986 0.020 . 1 . . . . A 4 ARG HA . 34027 1 8 . 1 . 1 4 4 ARG HB2 H 1 1.935 0.020 . 2 . . . . A 4 ARG HB2 . 34027 1 9 . 1 . 1 4 4 ARG HB3 H 1 1.864 0.020 . 2 . . . . A 4 ARG HB3 . 34027 1 10 . 1 . 1 4 4 ARG HG2 H 1 1.716 0.020 . 2 . . . . A 4 ARG HG2 . 34027 1 11 . 1 . 1 4 4 ARG HG3 H 1 1.638 0.020 . 2 . . . . A 4 ARG HG3 . 34027 1 12 . 1 . 1 4 4 ARG HD2 H 1 3.200 0.020 . 2 . . . . A 4 ARG HD2 . 34027 1 13 . 1 . 1 4 4 ARG HD3 H 1 3.200 0.020 . 2 . . . . A 4 ARG HD3 . 34027 1 14 . 1 . 1 4 4 ARG HE H 1 7.469 0.020 . 1 . . . . A 4 ARG HE . 34027 1 15 . 1 . 1 4 4 ARG N N 15 120.908 0.400 . 1 . . . . A 4 ARG N . 34027 1 16 . 1 . 1 4 4 ARG NE N 15 84.739 0.400 . 1 . . . . A 4 ARG NE . 34027 1 17 . 1 . 1 5 5 CYS H H 1 8.383 0.020 . 1 . . . . A 5 CYS H . 34027 1 18 . 1 . 1 5 5 CYS HA H 1 4.373 0.020 . 1 . . . . A 5 CYS HA . 34027 1 19 . 1 . 1 5 5 CYS HB2 H 1 3.105 0.020 . 2 . . . . A 5 CYS HB2 . 34027 1 20 . 1 . 1 5 5 CYS HB3 H 1 3.105 0.020 . 2 . . . . A 5 CYS HB3 . 34027 1 21 . 1 . 1 5 5 CYS N N 15 118.903 0.400 . 1 . . . . A 5 CYS N . 34027 1 22 . 1 . 1 6 6 TYR H H 1 7.941 0.020 . 1 . . . . A 6 TYR H . 34027 1 23 . 1 . 1 6 6 TYR HA H 1 4.056 0.020 . 1 . . . . A 6 TYR HA . 34027 1 24 . 1 . 1 6 6 TYR HB2 H 1 3.105 0.020 . 2 . . . . A 6 TYR HB2 . 34027 1 25 . 1 . 1 6 6 TYR HB3 H 1 3.105 0.020 . 2 . . . . A 6 TYR HB3 . 34027 1 26 . 1 . 1 6 6 TYR HD1 H 1 7.101 0.020 . 1 . . . . A 6 TYR HD1 . 34027 1 27 . 1 . 1 6 6 TYR HD2 H 1 7.101 0.020 . 1 . . . . A 6 TYR HD2 . 34027 1 28 . 1 . 1 6 6 TYR HE1 H 1 6.837 0.020 . 1 . . . . A 6 TYR HE1 . 34027 1 29 . 1 . 1 6 6 TYR HE2 H 1 6.837 0.020 . 1 . . . . A 6 TYR HE2 . 34027 1 30 . 1 . 1 6 6 TYR CD1 C 13 132.117 0.400 . 3 . . . . A 6 TYR CD1 . 34027 1 31 . 1 . 1 6 6 TYR CE1 C 13 117.739 0.400 . 3 . . . . A 6 TYR CE1 . 34027 1 32 . 1 . 1 6 6 TYR N N 15 119.354 0.400 . 1 . . . . A 6 TYR N . 34027 1 33 . 1 . 1 7 7 ARG H H 1 8.222 0.020 . 1 . . . . A 7 ARG H . 34027 1 34 . 1 . 1 7 7 ARG HA H 1 4.012 0.020 . 1 . . . . A 7 ARG HA . 34027 1 35 . 1 . 1 7 7 ARG HB2 H 1 1.946 0.020 . 2 . . . . A 7 ARG HB2 . 34027 1 36 . 1 . 1 7 7 ARG HB3 H 1 1.880 0.020 . 2 . . . . A 7 ARG HB3 . 34027 1 37 . 1 . 1 7 7 ARG HG2 H 1 1.673 0.020 . 2 . . . . A 7 ARG HG2 . 34027 1 38 . 1 . 1 7 7 ARG HG3 H 1 1.804 0.020 . 2 . . . . A 7 ARG HG3 . 34027 1 39 . 1 . 1 7 7 ARG HD2 H 1 3.179 0.020 . 2 . . . . A 7 ARG HD2 . 34027 1 40 . 1 . 1 7 7 ARG HD3 H 1 3.244 0.020 . 2 . . . . A 7 ARG HD3 . 34027 1 41 . 1 . 1 7 7 ARG HE H 1 7.441 0.020 . 1 . . . . A 7 ARG HE . 34027 1 42 . 1 . 1 7 7 ARG N N 15 118.475 0.400 . 1 . . . . A 7 ARG N . 34027 1 43 . 1 . 1 7 7 ARG NE N 15 84.759 0.400 . 1 . . . . A 7 ARG NE . 34027 1 44 . 1 . 1 8 8 MET H H 1 8.128 0.020 . 1 . . . . A 8 MET H . 34027 1 45 . 1 . 1 8 8 MET HA H 1 4.273 0.020 . 1 . . . . A 8 MET HA . 34027 1 46 . 1 . 1 8 8 MET HB2 H 1 2.313 0.020 . 2 . . . . A 8 MET HB2 . 34027 1 47 . 1 . 1 8 8 MET HB3 H 1 2.266 0.020 . 2 . . . . A 8 MET HB3 . 34027 1 48 . 1 . 1 8 8 MET HG2 H 1 2.627 0.020 . 2 . . . . A 8 MET HG2 . 34027 1 49 . 1 . 1 8 8 MET HG3 H 1 2.750 0.020 . 2 . . . . A 8 MET HG3 . 34027 1 50 . 1 . 1 8 8 MET N N 15 118.925 0.400 . 1 . . . . A 8 MET N . 34027 1 51 . 1 . 1 9 9 CYS H H 1 7.873 0.020 . 1 . . . . A 9 CYS H . 34027 1 52 . 1 . 1 9 9 CYS HA H 1 4.941 0.020 . 1 . . . . A 9 CYS HA . 34027 1 53 . 1 . 1 9 9 CYS HB2 H 1 3.330 0.020 . 2 . . . . A 9 CYS HB2 . 34027 1 54 . 1 . 1 9 9 CYS HB3 H 1 3.007 0.020 . 2 . . . . A 9 CYS HB3 . 34027 1 55 . 1 . 1 9 9 CYS N N 15 115.894 0.400 . 1 . . . . A 9 CYS N . 34027 1 56 . 1 . 1 10 10 GLN H H 1 7.658 0.020 . 1 . . . . A 10 GLN H . 34027 1 57 . 1 . 1 10 10 GLN HA H 1 4.056 0.020 . 1 . . . . A 10 GLN HA . 34027 1 58 . 1 . 1 10 10 GLN HB2 H 1 2.099 0.020 . 2 . . . . A 10 GLN HB2 . 34027 1 59 . 1 . 1 10 10 GLN HB3 H 1 2.099 0.020 . 2 . . . . A 10 GLN HB3 . 34027 1 60 . 1 . 1 10 10 GLN HG2 H 1 2.416 0.020 . 2 . . . . A 10 GLN HG2 . 34027 1 61 . 1 . 1 10 10 GLN HG3 H 1 2.416 0.020 . 2 . . . . A 10 GLN HG3 . 34027 1 62 . 1 . 1 10 10 GLN HE21 H 1 7.327 0.020 . 2 . . . . A 10 GLN HE21 . 34027 1 63 . 1 . 1 10 10 GLN HE22 H 1 6.894 0.020 . 2 . . . . A 10 GLN HE22 . 34027 1 64 . 1 . 1 10 10 GLN N N 15 118.095 0.400 . 1 . . . . A 10 GLN N . 34027 1 65 . 1 . 1 10 10 GLN NE2 N 15 111.561 0.400 . 1 . . . . A 10 GLN NE2 . 34027 1 66 . 1 . 1 11 11 ARG H H 1 7.403 0.020 . 1 . . . . A 11 ARG H . 34027 1 67 . 1 . 1 11 11 ARG HA H 1 4.078 0.020 . 1 . . . . A 11 ARG HA . 34027 1 68 . 1 . 1 11 11 ARG HB2 H 1 1.673 0.020 . 2 . . . . A 11 ARG HB2 . 34027 1 69 . 1 . 1 11 11 ARG HB3 H 1 1.618 0.020 . 2 . . . . A 11 ARG HB3 . 34027 1 70 . 1 . 1 11 11 ARG HG2 H 1 0.875 0.020 . 2 . . . . A 11 ARG HG2 . 34027 1 71 . 1 . 1 11 11 ARG HG3 H 1 1.356 0.020 . 2 . . . . A 11 ARG HG3 . 34027 1 72 . 1 . 1 11 11 ARG HD2 H 1 3.006 0.020 . 2 . . . . A 11 ARG HD2 . 34027 1 73 . 1 . 1 11 11 ARG HD3 H 1 3.006 0.020 . 2 . . . . A 11 ARG HD3 . 34027 1 74 . 1 . 1 11 11 ARG HE H 1 6.933 0.020 . 1 . . . . A 11 ARG HE . 34027 1 75 . 1 . 1 11 11 ARG N N 15 115.466 0.400 . 1 . . . . A 11 ARG N . 34027 1 76 . 1 . 1 11 11 ARG NE N 15 84.715 0.400 . 1 . . . . A 11 ARG NE . 34027 1 77 . 1 . 1 12 12 TYR H H 1 7.276 0.020 . 1 . . . . A 12 TYR H . 34027 1 78 . 1 . 1 12 12 TYR HA H 1 4.471 0.020 . 1 . . . . A 12 TYR HA . 34027 1 79 . 1 . 1 12 12 TYR HB2 H 1 3.033 0.020 . 2 . . . . A 12 TYR HB2 . 34027 1 80 . 1 . 1 12 12 TYR HB3 H 1 2.766 0.020 . 2 . . . . A 12 TYR HB3 . 34027 1 81 . 1 . 1 12 12 TYR HD1 H 1 7.273 0.020 . 1 . . . . A 12 TYR HD1 . 34027 1 82 . 1 . 1 12 12 TYR HD2 H 1 7.273 0.020 . 1 . . . . A 12 TYR HD2 . 34027 1 83 . 1 . 1 12 12 TYR HE1 H 1 6.898 0.020 . 1 . . . . A 12 TYR HE1 . 34027 1 84 . 1 . 1 12 12 TYR HE2 H 1 6.898 0.020 . 1 . . . . A 12 TYR HE2 . 34027 1 85 . 1 . 1 12 12 TYR CD1 C 13 132.425 0.400 . 3 . . . . A 12 TYR CD1 . 34027 1 86 . 1 . 1 12 12 TYR CE1 C 13 117.566 0.400 . 3 . . . . A 12 TYR CE1 . 34027 1 87 . 1 . 1 12 12 TYR N N 15 119.284 0.400 . 1 . . . . A 12 TYR N . 34027 1 88 . 1 . 1 13 13 HIS H H 1 8.536 0.020 . 1 . . . . A 13 HIS H . 34027 1 89 . 1 . 1 13 13 HIS HA H 1 4.626 0.020 . 1 . . . . A 13 HIS HA . 34027 1 90 . 1 . 1 13 13 HIS HB2 H 1 3.311 0.020 . 2 . . . . A 13 HIS HB2 . 34027 1 91 . 1 . 1 13 13 HIS HB3 H 1 3.197 0.020 . 2 . . . . A 13 HIS HB3 . 34027 1 92 . 1 . 1 13 13 HIS HD2 H 1 7.249 0.020 . 1 . . . . A 13 HIS HD2 . 34027 1 93 . 1 . 1 13 13 HIS HE1 H 1 8.392 0.020 . 1 . . . . A 13 HIS HE1 . 34027 1 94 . 1 . 1 13 13 HIS CB C 13 29.114 0.400 . 1 . . . . A 13 HIS CB . 34027 1 95 . 1 . 1 13 13 HIS CD2 C 13 119.183 0.400 . 1 . . . . A 13 HIS CD2 . 34027 1 96 . 1 . 1 13 13 HIS CE1 C 13 136.347 0.400 . 1 . . . . A 13 HIS CE1 . 34027 1 97 . 1 . 1 13 13 HIS N N 15 120.352 0.400 . 1 . . . . A 13 HIS N . 34027 1 98 . 1 . 1 14 14 ASP H H 1 8.358 0.020 . 1 . . . . A 14 ASP H . 34027 1 99 . 1 . 1 14 14 ASP HA H 1 4.681 0.020 . 1 . . . . A 14 ASP HA . 34027 1 100 . 1 . 1 14 14 ASP HB2 H 1 2.806 0.020 . 2 . . . . A 14 ASP HB2 . 34027 1 101 . 1 . 1 14 14 ASP HB3 H 1 2.747 0.020 . 2 . . . . A 14 ASP HB3 . 34027 1 102 . 1 . 1 14 14 ASP N N 15 121.060 0.400 . 1 . . . . A 14 ASP N . 34027 1 103 . 1 . 1 15 15 ARG H H 1 8.853 0.020 . 1 . . . . A 15 ARG H . 34027 1 104 . 1 . 1 15 15 ARG HA H 1 3.946 0.020 . 1 . . . . A 15 ARG HA . 34027 1 105 . 1 . 1 15 15 ARG HB2 H 1 1.924 0.020 . 2 . . . . A 15 ARG HB2 . 34027 1 106 . 1 . 1 15 15 ARG HB3 H 1 1.924 0.020 . 2 . . . . A 15 ARG HB3 . 34027 1 107 . 1 . 1 15 15 ARG HG2 H 1 1.793 0.020 . 2 . . . . A 15 ARG HG2 . 34027 1 108 . 1 . 1 15 15 ARG HG3 H 1 1.690 0.020 . 2 . . . . A 15 ARG HG3 . 34027 1 109 . 1 . 1 15 15 ARG HD2 H 1 3.236 0.020 . 2 . . . . A 15 ARG HD2 . 34027 1 110 . 1 . 1 15 15 ARG HD3 H 1 3.236 0.020 . 2 . . . . A 15 ARG HD3 . 34027 1 111 . 1 . 1 15 15 ARG HE H 1 7.427 0.020 . 1 . . . . A 15 ARG HE . 34027 1 112 . 1 . 1 15 15 ARG N N 15 125.597 0.400 . 1 . . . . A 15 ARG N . 34027 1 113 . 1 . 1 15 15 ARG NE N 15 84.657 0.400 . 1 . . . . A 15 ARG NE . 34027 1 114 . 1 . 1 16 16 ARG H H 1 8.396 0.020 . 1 . . . . A 16 ARG H . 34027 1 115 . 1 . 1 16 16 ARG HA H 1 4.078 0.020 . 1 . . . . A 16 ARG HA . 34027 1 116 . 1 . 1 16 16 ARG HB2 H 1 1.935 0.020 . 2 . . . . A 16 ARG HB2 . 34027 1 117 . 1 . 1 16 16 ARG HB3 H 1 1.935 0.020 . 2 . . . . A 16 ARG HB3 . 34027 1 118 . 1 . 1 16 16 ARG HG2 H 1 1.574 0.020 . 2 . . . . A 16 ARG HG2 . 34027 1 119 . 1 . 1 16 16 ARG HG3 H 1 1.673 0.020 . 2 . . . . A 16 ARG HG3 . 34027 1 120 . 1 . 1 16 16 ARG HD2 H 1 3.217 0.020 . 2 . . . . A 16 ARG HD2 . 34027 1 121 . 1 . 1 16 16 ARG HD3 H 1 3.217 0.020 . 2 . . . . A 16 ARG HD3 . 34027 1 122 . 1 . 1 16 16 ARG HE H 1 7.416 0.020 . 1 . . . . A 16 ARG HE . 34027 1 123 . 1 . 1 16 16 ARG N N 15 120.656 0.400 . 1 . . . . A 16 ARG N . 34027 1 124 . 1 . 1 16 16 ARG NE N 15 84.490 0.400 . 1 . . . . A 16 ARG NE . 34027 1 125 . 1 . 1 17 17 GLU H H 1 8.153 0.020 . 1 . . . . A 17 GLU H . 34027 1 126 . 1 . 1 17 17 GLU HA H 1 3.878 0.020 . 1 . . . . A 17 GLU HA . 34027 1 127 . 1 . 1 17 17 GLU HB2 H 1 1.735 0.020 . 2 . . . . A 17 GLU HB2 . 34027 1 128 . 1 . 1 17 17 GLU HB3 H 1 2.037 0.020 . 2 . . . . A 17 GLU HB3 . 34027 1 129 . 1 . 1 17 17 GLU HG2 H 1 2.300 0.020 . 2 . . . . A 17 GLU HG2 . 34027 1 130 . 1 . 1 17 17 GLU HG3 H 1 2.300 0.020 . 2 . . . . A 17 GLU HG3 . 34027 1 131 . 1 . 1 17 17 GLU N N 15 120.503 0.400 . 1 . . . . A 17 GLU N . 34027 1 132 . 1 . 1 18 18 LYS H H 1 8.497 0.020 . 1 . . . . A 18 LYS H . 34027 1 133 . 1 . 1 18 18 LYS HA H 1 3.883 0.020 . 1 . . . . A 18 LYS HA . 34027 1 134 . 1 . 1 18 18 LYS HB2 H 1 1.960 0.020 . 2 . . . . A 18 LYS HB2 . 34027 1 135 . 1 . 1 18 18 LYS HB3 H 1 1.812 0.020 . 2 . . . . A 18 LYS HB3 . 34027 1 136 . 1 . 1 18 18 LYS HG2 H 1 1.559 0.020 . 2 . . . . A 18 LYS HG2 . 34027 1 137 . 1 . 1 18 18 LYS HG3 H 1 1.460 0.020 . 2 . . . . A 18 LYS HG3 . 34027 1 138 . 1 . 1 18 18 LYS HD2 H 1 1.702 0.020 . 2 . . . . A 18 LYS HD2 . 34027 1 139 . 1 . 1 18 18 LYS HD3 H 1 1.702 0.020 . 2 . . . . A 18 LYS HD3 . 34027 1 140 . 1 . 1 18 18 LYS HE2 H 1 2.975 0.020 . 2 . . . . A 18 LYS HE2 . 34027 1 141 . 1 . 1 18 18 LYS HE3 H 1 2.975 0.020 . 2 . . . . A 18 LYS HE3 . 34027 1 142 . 1 . 1 18 18 LYS N N 15 120.720 0.400 . 1 . . . . A 18 LYS N . 34027 1 143 . 1 . 1 19 19 LYS H H 1 7.899 0.020 . 1 . . . . A 19 LYS H . 34027 1 144 . 1 . 1 19 19 LYS HA H 1 3.996 0.020 . 1 . . . . A 19 LYS HA . 34027 1 145 . 1 . 1 19 19 LYS HB3 H 1 1.944 0.020 . 2 . . . . A 19 LYS HB3 . 34027 1 146 . 1 . 1 19 19 LYS HG2 H 1 1.386 0.020 . 2 . . . . A 19 LYS HG2 . 34027 1 147 . 1 . 1 19 19 LYS HG3 H 1 1.507 0.020 . 2 . . . . A 19 LYS HG3 . 34027 1 148 . 1 . 1 19 19 LYS HD2 H 1 1.662 0.020 . 2 . . . . A 19 LYS HD2 . 34027 1 149 . 1 . 1 19 19 LYS HD3 H 1 1.706 0.020 . 2 . . . . A 19 LYS HD3 . 34027 1 150 . 1 . 1 19 19 LYS HE2 H 1 2.995 0.020 . 2 . . . . A 19 LYS HE2 . 34027 1 151 . 1 . 1 19 19 LYS HE3 H 1 2.995 0.020 . 2 . . . . A 19 LYS HE3 . 34027 1 152 . 1 . 1 19 19 LYS N N 15 120.025 0.400 . 1 . . . . A 19 LYS N . 34027 1 153 . 1 . 1 20 20 GLN H H 1 8.001 0.020 . 1 . . . . A 20 GLN H . 34027 1 154 . 1 . 1 20 20 GLN HA H 1 4.067 0.020 . 1 . . . . A 20 GLN HA . 34027 1 155 . 1 . 1 20 20 GLN HB2 H 1 2.050 0.020 . 2 . . . . A 20 GLN HB2 . 34027 1 156 . 1 . 1 20 20 GLN HB3 H 1 2.019 0.020 . 2 . . . . A 20 GLN HB3 . 34027 1 157 . 1 . 1 20 20 GLN HG2 H 1 2.429 0.020 . 2 . . . . A 20 GLN HG2 . 34027 1 158 . 1 . 1 20 20 GLN HG3 H 1 2.341 0.020 . 2 . . . . A 20 GLN HG3 . 34027 1 159 . 1 . 1 20 20 GLN HE21 H 1 7.403 0.020 . 2 . . . . A 20 GLN HE21 . 34027 1 160 . 1 . 1 20 20 GLN HE22 H 1 6.805 0.020 . 2 . . . . A 20 GLN HE22 . 34027 1 161 . 1 . 1 20 20 GLN N N 15 118.181 0.400 . 1 . . . . A 20 GLN N . 34027 1 162 . 1 . 1 20 20 GLN NE2 N 15 111.328 0.400 . 1 . . . . A 20 GLN NE2 . 34027 1 163 . 1 . 1 21 21 CYS H H 1 7.976 0.020 . 1 . . . . A 21 CYS H . 34027 1 164 . 1 . 1 21 21 CYS HA H 1 4.215 0.020 . 1 . . . . A 21 CYS HA . 34027 1 165 . 1 . 1 21 21 CYS HB2 H 1 3.389 0.020 . 2 . . . . A 21 CYS HB2 . 34027 1 166 . 1 . 1 21 21 CYS HB3 H 1 2.864 0.020 . 2 . . . . A 21 CYS HB3 . 34027 1 167 . 1 . 1 21 21 CYS N N 15 120.093 0.400 . 1 . . . . A 21 CYS N . 34027 1 168 . 1 . 1 22 22 LYS H H 1 8.383 0.020 . 1 . . . . A 22 LYS H . 34027 1 169 . 1 . 1 22 22 LYS HA H 1 3.903 0.020 . 1 . . . . A 22 LYS HA . 34027 1 170 . 1 . 1 22 22 LYS HB2 H 1 1.935 0.020 . 2 . . . . A 22 LYS HB2 . 34027 1 171 . 1 . 1 22 22 LYS HB3 H 1 1.935 0.020 . 2 . . . . A 22 LYS HB3 . 34027 1 172 . 1 . 1 22 22 LYS HG2 H 1 1.268 0.020 . 2 . . . . A 22 LYS HG2 . 34027 1 173 . 1 . 1 22 22 LYS HG3 H 1 1.707 0.020 . 2 . . . . A 22 LYS HG3 . 34027 1 174 . 1 . 1 22 22 LYS HE2 H 1 2.777 0.020 . 2 . . . . A 22 LYS HE2 . 34027 1 175 . 1 . 1 22 22 LYS HE3 H 1 2.871 0.020 . 2 . . . . A 22 LYS HE3 . 34027 1 176 . 1 . 1 22 22 LYS CG C 13 25.659 0.400 . 1 . . . . A 22 LYS CG . 34027 1 177 . 1 . 1 22 22 LYS N N 15 121.661 0.400 . 1 . . . . A 22 LYS N . 34027 1 178 . 1 . 1 23 23 GLU H H 1 8.217 0.020 . 1 . . . . A 23 GLU H . 34027 1 179 . 1 . 1 23 23 GLU HA H 1 4.075 0.020 . 1 . . . . A 23 GLU HA . 34027 1 180 . 1 . 1 23 23 GLU HB2 H 1 2.123 0.020 . 2 . . . . A 23 GLU HB2 . 34027 1 181 . 1 . 1 23 23 GLU HB3 H 1 2.123 0.020 . 2 . . . . A 23 GLU HB3 . 34027 1 182 . 1 . 1 23 23 GLU HG2 H 1 2.347 0.020 . 2 . . . . A 23 GLU HG2 . 34027 1 183 . 1 . 1 23 23 GLU HG3 H 1 2.493 0.020 . 2 . . . . A 23 GLU HG3 . 34027 1 184 . 1 . 1 23 23 GLU N N 15 119.419 0.400 . 1 . . . . A 23 GLU N . 34027 1 185 . 1 . 1 24 24 GLY H H 1 7.899 0.020 . 1 . . . . A 24 GLY H . 34027 1 186 . 1 . 1 24 24 GLY HA2 H 1 4.099 0.020 . 2 . . . . A 24 GLY HA2 . 34027 1 187 . 1 . 1 24 24 GLY HA3 H 1 3.903 0.020 . 2 . . . . A 24 GLY HA3 . 34027 1 188 . 1 . 1 24 24 GLY N N 15 106.163 0.400 . 1 . . . . A 24 GLY N . 34027 1 189 . 1 . 1 25 25 CYS H H 1 7.673 0.020 . 1 . . . . A 25 CYS H . 34027 1 190 . 1 . 1 25 25 CYS HA H 1 4.570 0.020 . 1 . . . . A 25 CYS HA . 34027 1 191 . 1 . 1 25 25 CYS HB2 H 1 3.017 0.020 . 2 . . . . A 25 CYS HB2 . 34027 1 192 . 1 . 1 25 25 CYS HB3 H 1 3.017 0.020 . 2 . . . . A 25 CYS HB3 . 34027 1 193 . 1 . 1 25 25 CYS N N 15 118.720 0.400 . 1 . . . . A 25 CYS N . 34027 1 194 . 1 . 1 26 26 ARG H H 1 7.925 0.020 . 1 . . . . A 26 ARG H . 34027 1 195 . 1 . 1 26 26 ARG HA H 1 4.232 0.020 . 1 . . . . A 26 ARG HA . 34027 1 196 . 1 . 1 26 26 ARG HB2 H 1 1.713 0.020 . 2 . . . . A 26 ARG HB2 . 34027 1 197 . 1 . 1 26 26 ARG HG2 H 1 1.493 0.020 . 2 . . . . A 26 ARG HG2 . 34027 1 198 . 1 . 1 26 26 ARG HG3 H 1 1.425 0.020 . 2 . . . . A 26 ARG HG3 . 34027 1 199 . 1 . 1 26 26 ARG HD2 H 1 3.138 0.020 . 2 . . . . A 26 ARG HD2 . 34027 1 200 . 1 . 1 26 26 ARG HD3 H 1 3.138 0.020 . 2 . . . . A 26 ARG HD3 . 34027 1 201 . 1 . 1 26 26 ARG HE H 1 7.174 0.020 . 1 . . . . A 26 ARG HE . 34027 1 202 . 1 . 1 26 26 ARG N N 15 121.150 0.400 . 1 . . . . A 26 ARG N . 34027 1 203 . 1 . 1 26 26 ARG NE N 15 84.855 0.400 . 1 . . . . A 26 ARG NE . 34027 1 204 . 1 . 1 27 27 TYR H H 1 7.969 0.020 . 1 . . . . A 27 TYR H . 34027 1 205 . 1 . 1 27 27 TYR HA H 1 4.701 0.020 . 1 . . . . A 27 TYR HA . 34027 1 206 . 1 . 1 27 27 TYR HB2 H 1 3.236 0.020 . 2 . . . . A 27 TYR HB2 . 34027 1 207 . 1 . 1 27 27 TYR HB3 H 1 2.924 0.020 . 2 . . . . A 27 TYR HB3 . 34027 1 208 . 1 . 1 27 27 TYR HD1 H 1 7.194 0.020 . 1 . . . . A 27 TYR HD1 . 34027 1 209 . 1 . 1 27 27 TYR HD2 H 1 7.194 0.020 . 1 . . . . A 27 TYR HD2 . 34027 1 210 . 1 . 1 27 27 TYR HE1 H 1 6.861 0.020 . 1 . . . . A 27 TYR HE1 . 34027 1 211 . 1 . 1 27 27 TYR HE2 H 1 6.861 0.020 . 1 . . . . A 27 TYR HE2 . 34027 1 212 . 1 . 1 27 27 TYR CD1 C 13 132.630 0.400 . 3 . . . . A 27 TYR CD1 . 34027 1 213 . 1 . 1 27 27 TYR CE1 C 13 117.525 0.400 . 3 . . . . A 27 TYR CE1 . 34027 1 214 . 1 . 1 27 27 TYR N N 15 119.575 0.400 . 1 . . . . A 27 TYR N . 34027 1 215 . 1 . 1 28 28 GLY H H 1 7.823 0.020 . 1 . . . . A 28 GLY H . 34027 1 216 . 1 . 1 28 28 GLY HA2 H 1 3.792 0.020 . 2 . . . . A 28 GLY HA2 . 34027 1 217 . 1 . 1 28 28 GLY HA3 H 1 3.792 0.020 . 2 . . . . A 28 GLY HA3 . 34027 1 218 . 1 . 1 28 28 GLY N N 15 116.007 0.400 . 1 . . . . A 28 GLY N . 34027 1 stop_ save_