################################### # 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 34703 _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 '2D NOESY' . . . 34703 1 2 '2D TOCSY' . . . 34703 1 3 '3D 1H-15N TOCSY' . . . 34703 1 4 '3D 1H-15N NOESY' . . . 34703 1 5 '3D HNHA' . . . 34703 1 6 '3D HNHB' . . . 34703 1 7 '2D 1H-15N HSQC' . . . 34703 1 8 '2D 1H-13C HSQC aliphatic' . . . 34703 1 9 '2D 1H-13C HSQC aromatic' . . . 34703 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 4.152 0.000 . 1 . . . . A 1 ALA HA . 34703 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.339 0.000 . 1 . . . . A 1 ALA HB1 . 34703 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.339 0.000 . 1 . . . . A 1 ALA HB2 . 34703 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.339 0.000 . 1 . . . . A 1 ALA HB3 . 34703 1 5 . 1 . 1 1 1 ALA CB C 13 22.554 0.000 . 1 . . . . A 1 ALA CB . 34703 1 6 . 1 . 1 2 2 ASP HA H 1 4.712 0.000 . 1 . . . . A 2 ASP HA . 34703 1 7 . 1 . 1 2 2 ASP HB2 H 1 2.795 0.000 . 2 . . . . A 2 ASP HB2 . 34703 1 8 . 1 . 1 2 2 ASP HB3 H 1 2.699 0.000 . 2 . . . . A 2 ASP HB3 . 34703 1 9 . 1 . 1 2 2 ASP CB C 13 41.552 0.000 . 1 . . . . A 2 ASP CB . 34703 1 10 . 1 . 1 3 3 LYS H H 1 8.628 0.000 . 1 . . . . A 3 LYS H . 34703 1 11 . 1 . 1 3 3 LYS HA H 1 4.271 0.000 . 1 . . . . A 3 LYS HA . 34703 1 12 . 1 . 1 3 3 LYS HB2 H 1 1.959 0.000 . 2 . . . . A 3 LYS HB2 . 34703 1 13 . 1 . 1 3 3 LYS HB3 H 1 1.820 0.000 . 2 . . . . A 3 LYS HB3 . 34703 1 14 . 1 . 1 3 3 LYS HG2 H 1 1.518 0.000 . 2 . . . . A 3 LYS HG2 . 34703 1 15 . 1 . 1 3 3 LYS HG3 H 1 1.448 0.000 . 2 . . . . A 3 LYS HG3 . 34703 1 16 . 1 . 1 3 3 LYS HD2 H 1 1.665 0.000 . 2 . . . . A 3 LYS HD2 . 34703 1 17 . 1 . 1 3 3 LYS HD3 H 1 1.665 0.000 . 2 . . . . A 3 LYS HD3 . 34703 1 18 . 1 . 1 3 3 LYS HE2 H 1 2.978 0.000 . 2 . . . . A 3 LYS HE2 . 34703 1 19 . 1 . 1 3 3 LYS HE3 H 1 2.978 0.000 . 2 . . . . A 3 LYS HE3 . 34703 1 20 . 1 . 1 3 3 LYS CB C 13 32.067 0.000 . 1 . . . . A 3 LYS CB . 34703 1 21 . 1 . 1 3 3 LYS CG C 13 24.782 0.000 . 1 . . . . A 3 LYS CG . 34703 1 22 . 1 . 1 3 3 LYS CD C 13 28.849 0.000 . 1 . . . . A 3 LYS CD . 34703 1 23 . 1 . 1 3 3 LYS CE C 13 41.776 0.000 . 1 . . . . A 3 LYS CE . 34703 1 24 . 1 . 1 3 3 LYS N N 15 123.996 0.000 . 1 . . . . A 3 LYS N . 34703 1 25 . 1 . 1 4 4 ARG H H 1 8.491 0.000 . 1 . . . . A 4 ARG H . 34703 1 26 . 1 . 1 4 4 ARG HA H 1 4.055 0.000 . 1 . . . . A 4 ARG HA . 34703 1 27 . 1 . 1 4 4 ARG HB2 H 1 1.881 0.000 . 2 . . . . A 4 ARG HB2 . 34703 1 28 . 1 . 1 4 4 ARG HB3 H 1 1.881 0.000 . 2 . . . . A 4 ARG HB3 . 34703 1 29 . 1 . 1 4 4 ARG HG2 H 1 1.681 0.000 . 2 . . . . A 4 ARG HG2 . 34703 1 30 . 1 . 1 4 4 ARG HG3 H 1 1.631 0.000 . 2 . . . . A 4 ARG HG3 . 34703 1 31 . 1 . 1 4 4 ARG HD2 H 1 3.216 0.000 . 2 . . . . A 4 ARG HD2 . 34703 1 32 . 1 . 1 4 4 ARG HD3 H 1 3.176 0.000 . 2 . . . . A 4 ARG HD3 . 34703 1 33 . 1 . 1 4 4 ARG HE H 1 7.454 0.000 . 1 . . . . A 4 ARG HE . 34703 1 34 . 1 . 1 4 4 ARG CB C 13 29.748 0.000 . 1 . . . . A 4 ARG CB . 34703 1 35 . 1 . 1 4 4 ARG CG C 13 26.964 0.000 . 1 . . . . A 4 ARG CG . 34703 1 36 . 1 . 1 4 4 ARG CD C 13 43.019 0.000 . 1 . . . . A 4 ARG CD . 34703 1 37 . 1 . 1 4 4 ARG N N 15 120.684 0.000 . 1 . . . . A 4 ARG N . 34703 1 38 . 1 . 1 4 4 ARG NE N 15 84.751 0.000 . 1 . . . . A 4 ARG NE . 34703 1 39 . 1 . 1 5 5 CYS H H 1 8.243 0.000 . 1 . . . . A 5 CYS H . 34703 1 40 . 1 . 1 5 5 CYS HA H 1 4.298 0.000 . 1 . . . . A 5 CYS HA . 34703 1 41 . 1 . 1 5 5 CYS HB2 H 1 3.177 0.000 . 2 . . . . A 5 CYS HB2 . 34703 1 42 . 1 . 1 5 5 CYS HB3 H 1 3.099 0.000 . 2 . . . . A 5 CYS HB3 . 34703 1 43 . 1 . 1 5 5 CYS CB C 13 38.499 0.000 . 1 . . . . A 5 CYS CB . 34703 1 44 . 1 . 1 5 5 CYS N N 15 119.101 0.000 . 1 . . . . A 5 CYS N . 34703 1 45 . 1 . 1 6 6 TYR H H 1 7.851 0.000 . 1 . . . . A 6 TYR H . 34703 1 46 . 1 . 1 6 6 TYR HA H 1 4.076 0.000 . 1 . . . . A 6 TYR HA . 34703 1 47 . 1 . 1 6 6 TYR HB2 H 1 3.090 0.000 . 2 . . . . A 6 TYR HB2 . 34703 1 48 . 1 . 1 6 6 TYR HB3 H 1 3.090 0.000 . 2 . . . . A 6 TYR HB3 . 34703 1 49 . 1 . 1 6 6 TYR HD1 H 1 7.093 0.000 . 1 . . . . A 6 TYR HD1 . 34703 1 50 . 1 . 1 6 6 TYR HD2 H 1 7.093 0.000 . 1 . . . . A 6 TYR HD2 . 34703 1 51 . 1 . 1 6 6 TYR HE1 H 1 6.833 0.000 . 1 . . . . A 6 TYR HE1 . 34703 1 52 . 1 . 1 6 6 TYR HE2 H 1 6.833 0.000 . 1 . . . . A 6 TYR HE2 . 34703 1 53 . 1 . 1 6 6 TYR CB C 13 37.321 0.000 . 1 . . . . A 6 TYR CB . 34703 1 54 . 1 . 1 6 6 TYR CD1 C 13 131.793 0.000 . 1 . . . . A 6 TYR CD1 . 34703 1 55 . 1 . 1 6 6 TYR CE1 C 13 117.521 0.000 . 1 . . . . A 6 TYR CE1 . 34703 1 56 . 1 . 1 6 6 TYR N N 15 118.366 0.000 . 1 . . . . A 6 TYR N . 34703 1 57 . 1 . 1 7 7 ARG H H 1 8.062 0.000 . 1 . . . . A 7 ARG H . 34703 1 58 . 1 . 1 7 7 ARG HA H 1 4.065 0.000 . 1 . . . . A 7 ARG HA . 34703 1 59 . 1 . 1 7 7 ARG HB2 H 1 1.935 0.000 . 2 . . . . A 7 ARG HB2 . 34703 1 60 . 1 . 1 7 7 ARG HB3 H 1 1.935 0.000 . 2 . . . . A 7 ARG HB3 . 34703 1 61 . 1 . 1 7 7 ARG HG2 H 1 1.762 0.000 . 2 . . . . A 7 ARG HG2 . 34703 1 62 . 1 . 1 7 7 ARG HG3 H 1 1.661 0.000 . 2 . . . . A 7 ARG HG3 . 34703 1 63 . 1 . 1 7 7 ARG HD2 H 1 3.203 0.000 . 2 . . . . A 7 ARG HD2 . 34703 1 64 . 1 . 1 7 7 ARG HD3 H 1 3.203 0.000 . 2 . . . . A 7 ARG HD3 . 34703 1 65 . 1 . 1 7 7 ARG HE H 1 7.303 0.000 . 1 . . . . A 7 ARG HE . 34703 1 66 . 1 . 1 7 7 ARG CB C 13 29.653 0.000 . 1 . . . . A 7 ARG CB . 34703 1 67 . 1 . 1 7 7 ARG CG C 13 27.196 0.000 . 1 . . . . A 7 ARG CG . 34703 1 68 . 1 . 1 7 7 ARG CD C 13 43.019 0.000 . 1 . . . . A 7 ARG CD . 34703 1 69 . 1 . 1 7 7 ARG N N 15 118.810 0.000 . 1 . . . . A 7 ARG N . 34703 1 70 . 1 . 1 7 7 ARG NE N 15 84.436 0.000 . 1 . . . . A 7 ARG NE . 34703 1 71 . 1 . 1 8 8 MET H H 1 8.111 0.000 . 1 . . . . A 8 MET H . 34703 1 72 . 1 . 1 8 8 MET HA H 1 4.262 0.000 . 1 . . . . A 8 MET HA . 34703 1 73 . 1 . 1 8 8 MET HB2 H 1 2.277 0.000 . 2 . . . . A 8 MET HB2 . 34703 1 74 . 1 . 1 8 8 MET HB3 H 1 2.221 0.000 . 2 . . . . A 8 MET HB3 . 34703 1 75 . 1 . 1 8 8 MET HG2 H 1 2.737 0.000 . 2 . . . . A 8 MET HG2 . 34703 1 76 . 1 . 1 8 8 MET HG3 H 1 2.600 0.000 . 2 . . . . A 8 MET HG3 . 34703 1 77 . 1 . 1 8 8 MET CB C 13 31.622 0.000 . 1 . . . . A 8 MET CB . 34703 1 78 . 1 . 1 8 8 MET CG C 13 31.846 0.000 . 1 . . . . A 8 MET CG . 34703 1 79 . 1 . 1 8 8 MET N N 15 119.037 0.000 . 1 . . . . A 8 MET N . 34703 1 80 . 1 . 1 9 9 CYS H H 1 7.993 0.000 . 1 . . . . A 9 CYS H . 34703 1 81 . 1 . 1 9 9 CYS HA H 1 4.876 0.000 . 1 . . . . A 9 CYS HA . 34703 1 82 . 1 . 1 9 9 CYS HB2 H 1 3.303 0.000 . 2 . . . . A 9 CYS HB2 . 34703 1 83 . 1 . 1 9 9 CYS HB3 H 1 3.059 0.000 . 2 . . . . A 9 CYS HB3 . 34703 1 84 . 1 . 1 9 9 CYS CB C 13 36.634 0.000 . 1 . . . . A 9 CYS CB . 34703 1 85 . 1 . 1 9 9 CYS N N 15 116.637 0.000 . 1 . . . . A 9 CYS N . 34703 1 86 . 1 . 1 10 10 GLN H H 1 7.758 0.000 . 1 . . . . A 10 GLN H . 34703 1 87 . 1 . 1 10 10 GLN HA H 1 3.998 0.000 . 1 . . . . A 10 GLN HA . 34703 1 88 . 1 . 1 10 10 GLN HB2 H 1 2.126 0.000 . 2 . . . . A 10 GLN HB2 . 34703 1 89 . 1 . 1 10 10 GLN HB3 H 1 2.126 0.000 . 2 . . . . A 10 GLN HB3 . 34703 1 90 . 1 . 1 10 10 GLN HG2 H 1 2.483 0.000 . 2 . . . . A 10 GLN HG2 . 34703 1 91 . 1 . 1 10 10 GLN HG3 H 1 2.403 0.000 . 2 . . . . A 10 GLN HG3 . 34703 1 92 . 1 . 1 10 10 GLN HE21 H 1 7.356 0.000 . 2 . . . . A 10 GLN HE21 . 34703 1 93 . 1 . 1 10 10 GLN HE22 H 1 6.785 0.000 . 2 . . . . A 10 GLN HE22 . 34703 1 94 . 1 . 1 10 10 GLN CB C 13 28.025 0.000 . 1 . . . . A 10 GLN CB . 34703 1 95 . 1 . 1 10 10 GLN CG C 13 33.668 0.000 . 1 . . . . A 10 GLN CG . 34703 1 96 . 1 . 1 10 10 GLN N N 15 117.679 0.000 . 1 . . . . A 10 GLN N . 34703 1 97 . 1 . 1 10 10 GLN NE2 N 15 110.894 0.000 . 1 . . . . A 10 GLN NE2 . 34703 1 98 . 1 . 1 11 11 ARG H H 1 7.341 0.000 . 1 . . . . A 11 ARG H . 34703 1 99 . 1 . 1 11 11 ARG HA H 1 4.057 0.000 . 1 . . . . A 11 ARG HA . 34703 1 100 . 1 . 1 11 11 ARG HB2 H 1 1.646 0.000 . 2 . . . . A 11 ARG HB2 . 34703 1 101 . 1 . 1 11 11 ARG HB3 H 1 1.646 0.000 . 2 . . . . A 11 ARG HB3 . 34703 1 102 . 1 . 1 11 11 ARG HG2 H 1 1.390 0.000 . 2 . . . . A 11 ARG HG2 . 34703 1 103 . 1 . 1 11 11 ARG HG3 H 1 0.979 0.000 . 2 . . . . A 11 ARG HG3 . 34703 1 104 . 1 . 1 11 11 ARG HD2 H 1 3.008 0.000 . 2 . . . . A 11 ARG HD2 . 34703 1 105 . 1 . 1 11 11 ARG HD3 H 1 3.008 0.000 . 2 . . . . A 11 ARG HD3 . 34703 1 106 . 1 . 1 11 11 ARG HE H 1 6.938 0.000 . 1 . . . . A 11 ARG HE . 34703 1 107 . 1 . 1 11 11 ARG CB C 13 29.233 0.000 . 1 . . . . A 11 ARG CB . 34703 1 108 . 1 . 1 11 11 ARG CG C 13 25.931 0.000 . 1 . . . . A 11 ARG CG . 34703 1 109 . 1 . 1 11 11 ARG CD C 13 43.190 0.000 . 1 . . . . A 11 ARG CD . 34703 1 110 . 1 . 1 11 11 ARG N N 15 115.587 0.000 . 1 . . . . A 11 ARG N . 34703 1 111 . 1 . 1 11 11 ARG NE N 15 84.694 0.000 . 1 . . . . A 11 ARG NE . 34703 1 112 . 1 . 1 12 12 TYR H H 1 7.237 0.000 . 1 . . . . A 12 TYR H . 34703 1 113 . 1 . 1 12 12 TYR HA H 1 4.505 0.000 . 1 . . . . A 12 TYR HA . 34703 1 114 . 1 . 1 12 12 TYR HB2 H 1 3.092 0.000 . 2 . . . . A 12 TYR HB2 . 34703 1 115 . 1 . 1 12 12 TYR HB3 H 1 2.767 0.000 . 2 . . . . A 12 TYR HB3 . 34703 1 116 . 1 . 1 12 12 TYR HD1 H 1 7.255 0.000 . 1 . . . . A 12 TYR HD1 . 34703 1 117 . 1 . 1 12 12 TYR HD2 H 1 7.255 0.000 . 1 . . . . A 12 TYR HD2 . 34703 1 118 . 1 . 1 12 12 TYR HE1 H 1 6.893 0.000 . 1 . . . . A 12 TYR HE1 . 34703 1 119 . 1 . 1 12 12 TYR HE2 H 1 6.893 0.000 . 1 . . . . A 12 TYR HE2 . 34703 1 120 . 1 . 1 12 12 TYR CB C 13 37.823 0.000 . 1 . . . . A 12 TYR CB . 34703 1 121 . 1 . 1 12 12 TYR CD1 C 13 132.283 0.000 . 1 . . . . A 12 TYR CD1 . 34703 1 122 . 1 . 1 12 12 TYR CE1 C 13 117.574 0.000 . 1 . . . . A 12 TYR CE1 . 34703 1 123 . 1 . 1 12 12 TYR N N 15 118.398 0.000 . 1 . . . . A 12 TYR N . 34703 1 124 . 1 . 1 13 13 HIS H H 1 8.857 0.000 . 1 . . . . A 13 HIS H . 34703 1 125 . 1 . 1 13 13 HIS HA H 1 4.632 0.000 . 1 . . . . A 13 HIS HA . 34703 1 126 . 1 . 1 13 13 HIS HB2 H 1 3.373 0.000 . 2 . . . . A 13 HIS HB2 . 34703 1 127 . 1 . 1 13 13 HIS HB3 H 1 3.235 0.000 . 2 . . . . A 13 HIS HB3 . 34703 1 128 . 1 . 1 13 13 HIS HD2 H 1 7.260 0.000 . 1 . . . . A 13 HIS HD2 . 34703 1 129 . 1 . 1 13 13 HIS HE1 H 1 8.412 0.000 . 1 . . . . A 13 HIS HE1 . 34703 1 130 . 1 . 1 13 13 HIS CB C 13 29.343 0.000 . 1 . . . . A 13 HIS CB . 34703 1 131 . 1 . 1 13 13 HIS CD2 C 13 119.018 0.000 . 1 . . . . A 13 HIS CD2 . 34703 1 132 . 1 . 1 13 13 HIS CE1 C 13 136.577 0.000 . 1 . . . . A 13 HIS CE1 . 34703 1 133 . 1 . 1 13 13 HIS N N 15 121.001 0.000 . 1 . . . . A 13 HIS N . 34703 1 134 . 1 . 1 14 14 GLN H H 1 8.116 0.000 . 1 . . . . A 14 GLN H . 34703 1 135 . 1 . 1 14 14 GLN HA H 1 4.553 0.000 . 1 . . . . A 14 GLN HA . 34703 1 136 . 1 . 1 14 14 GLN HB2 H 1 2.260 0.000 . 2 . . . . A 14 GLN HB2 . 34703 1 137 . 1 . 1 14 14 GLN HB3 H 1 2.074 0.000 . 2 . . . . A 14 GLN HB3 . 34703 1 138 . 1 . 1 14 14 GLN HG2 H 1 2.480 0.000 . 2 . . . . A 14 GLN HG2 . 34703 1 139 . 1 . 1 14 14 GLN HG3 H 1 2.480 0.000 . 2 . . . . A 14 GLN HG3 . 34703 1 140 . 1 . 1 14 14 GLN HE21 H 1 7.561 0.000 . 2 . . . . A 14 GLN HE21 . 34703 1 141 . 1 . 1 14 14 GLN HE22 H 1 6.906 0.000 . 2 . . . . A 14 GLN HE22 . 34703 1 142 . 1 . 1 14 14 GLN CB C 13 29.136 0.000 . 1 . . . . A 14 GLN CB . 34703 1 143 . 1 . 1 14 14 GLN CG C 13 33.446 0.000 . 1 . . . . A 14 GLN CG . 34703 1 144 . 1 . 1 14 14 GLN N N 15 118.243 0.000 . 1 . . . . A 14 GLN N . 34703 1 145 . 1 . 1 14 14 GLN NE2 N 15 111.699 0.000 . 1 . . . . A 14 GLN NE2 . 34703 1 146 . 1 . 1 15 15 ARG HA H 1 3.847 0.000 . 1 . . . . A 15 ARG HA . 34703 1 147 . 1 . 1 15 15 ARG HB2 H 1 1.883 0.000 . 2 . . . . A 15 ARG HB2 . 34703 1 148 . 1 . 1 15 15 ARG HB3 H 1 1.761 0.000 . 2 . . . . A 15 ARG HB3 . 34703 1 149 . 1 . 1 15 15 ARG HG2 H 1 1.604 0.000 . 2 . . . . A 15 ARG HG2 . 34703 1 150 . 1 . 1 15 15 ARG HG3 H 1 1.604 0.000 . 2 . . . . A 15 ARG HG3 . 34703 1 151 . 1 . 1 15 15 ARG HD2 H 1 3.240 0.000 . 2 . . . . A 15 ARG HD2 . 34703 1 152 . 1 . 1 15 15 ARG HD3 H 1 3.240 0.000 . 2 . . . . A 15 ARG HD3 . 34703 1 153 . 1 . 1 15 15 ARG CB C 13 29.252 0.000 . 1 . . . . A 15 ARG CB . 34703 1 154 . 1 . 1 15 15 ARG CG C 13 26.854 0.000 . 1 . . . . A 15 ARG CG . 34703 1 155 . 1 . 1 15 15 ARG CD C 13 43.063 0.000 . 1 . . . . A 15 ARG CD . 34703 1 156 . 1 . 1 16 16 ARG H H 1 8.892 0.000 . 1 . . . . A 16 ARG H . 34703 1 157 . 1 . 1 16 16 ARG HA H 1 4.006 0.000 . 1 . . . . A 16 ARG HA . 34703 1 158 . 1 . 1 16 16 ARG HB2 H 1 1.894 0.000 . 2 . . . . A 16 ARG HB2 . 34703 1 159 . 1 . 1 16 16 ARG HB3 H 1 1.780 0.000 . 2 . . . . A 16 ARG HB3 . 34703 1 160 . 1 . 1 16 16 ARG HG2 H 1 1.655 0.000 . 2 . . . . A 16 ARG HG2 . 34703 1 161 . 1 . 1 16 16 ARG HG3 H 1 1.543 0.000 . 2 . . . . A 16 ARG HG3 . 34703 1 162 . 1 . 1 16 16 ARG HD2 H 1 3.190 0.000 . 2 . . . . A 16 ARG HD2 . 34703 1 163 . 1 . 1 16 16 ARG HD3 H 1 3.190 0.000 . 2 . . . . A 16 ARG HD3 . 34703 1 164 . 1 . 1 16 16 ARG HE H 1 7.196 0.000 . 1 . . . . A 16 ARG HE . 34703 1 165 . 1 . 1 16 16 ARG CB C 13 29.234 0.000 . 1 . . . . A 16 ARG CB . 34703 1 166 . 1 . 1 16 16 ARG CG C 13 26.902 0.000 . 1 . . . . A 16 ARG CG . 34703 1 167 . 1 . 1 16 16 ARG CD C 13 43.150 0.000 . 1 . . . . A 16 ARG CD . 34703 1 168 . 1 . 1 16 16 ARG N N 15 118.004 0.000 . 1 . . . . A 16 ARG N . 34703 1 169 . 1 . 1 16 16 ARG NE N 15 84.327 0.000 . 1 . . . . A 16 ARG NE . 34703 1 170 . 1 . 1 17 17 GLN H H 1 7.171 0.000 . 1 . . . . A 17 GLN H . 34703 1 171 . 1 . 1 17 17 GLN HA H 1 3.967 0.000 . 1 . . . . A 17 GLN HA . 34703 1 172 . 1 . 1 17 17 GLN HB2 H 1 1.614 0.000 . 2 . . . . A 17 GLN HB2 . 34703 1 173 . 1 . 1 17 17 GLN HB3 H 1 2.102 0.000 . 2 . . . . A 17 GLN HB3 . 34703 1 174 . 1 . 1 17 17 GLN HG2 H 1 2.174 0.000 . 2 . . . . A 17 GLN HG2 . 34703 1 175 . 1 . 1 17 17 GLN HG3 H 1 2.174 0.000 . 2 . . . . A 17 GLN HG3 . 34703 1 176 . 1 . 1 17 17 GLN HE21 H 1 7.285 0.000 . 2 . . . . A 17 GLN HE21 . 34703 1 177 . 1 . 1 17 17 GLN HE22 H 1 6.801 0.000 . 2 . . . . A 17 GLN HE22 . 34703 1 178 . 1 . 1 17 17 GLN CB C 13 28.324 0.000 . 1 . . . . A 17 GLN CB . 34703 1 179 . 1 . 1 17 17 GLN CG C 13 33.819 0.000 . 1 . . . . A 17 GLN CG . 34703 1 180 . 1 . 1 17 17 GLN N N 15 117.355 0.000 . 1 . . . . A 17 GLN N . 34703 1 181 . 1 . 1 17 17 GLN NE2 N 15 111.458 0.000 . 1 . . . . A 17 GLN NE2 . 34703 1 182 . 1 . 1 18 18 ARG H H 1 8.185 0.000 . 1 . . . . A 18 ARG H . 34703 1 183 . 1 . 1 18 18 ARG HA H 1 3.987 0.000 . 1 . . . . A 18 ARG HA . 34703 1 184 . 1 . 1 18 18 ARG HB2 H 1 2.053 0.000 . 2 . . . . A 18 ARG HB2 . 34703 1 185 . 1 . 1 18 18 ARG HB3 H 1 1.818 0.000 . 2 . . . . A 18 ARG HB3 . 34703 1 186 . 1 . 1 18 18 ARG HG2 H 1 1.773 0.000 . 2 . . . . A 18 ARG HG2 . 34703 1 187 . 1 . 1 18 18 ARG HG3 H 1 1.773 0.000 . 2 . . . . A 18 ARG HG3 . 34703 1 188 . 1 . 1 18 18 ARG HD2 H 1 3.397 0.000 . 2 . . . . A 18 ARG HD2 . 34703 1 189 . 1 . 1 18 18 ARG HD3 H 1 3.166 0.000 . 2 . . . . A 18 ARG HD3 . 34703 1 190 . 1 . 1 18 18 ARG CB C 13 30.326 0.000 . 1 . . . . A 18 ARG CB . 34703 1 191 . 1 . 1 18 18 ARG CG C 13 27.534 0.000 . 1 . . . . A 18 ARG CG . 34703 1 192 . 1 . 1 18 18 ARG CD C 13 43.564 0.000 . 1 . . . . A 18 ARG CD . 34703 1 193 . 1 . 1 18 18 ARG N N 15 121.041 0.000 . 1 . . . . A 18 ARG N . 34703 1 194 . 1 . 1 19 19 ARG H H 1 8.390 0.000 . 1 . . . . A 19 ARG H . 34703 1 195 . 1 . 1 19 19 ARG HA H 1 3.947 0.000 . 1 . . . . A 19 ARG HA . 34703 1 196 . 1 . 1 19 19 ARG HB2 H 1 1.895 0.000 . 2 . . . . A 19 ARG HB2 . 34703 1 197 . 1 . 1 19 19 ARG HB3 H 1 1.895 0.000 . 2 . . . . A 19 ARG HB3 . 34703 1 198 . 1 . 1 19 19 ARG HG2 H 1 1.797 0.000 . 2 . . . . A 19 ARG HG2 . 34703 1 199 . 1 . 1 19 19 ARG HG3 H 1 1.606 0.000 . 2 . . . . A 19 ARG HG3 . 34703 1 200 . 1 . 1 19 19 ARG HD2 H 1 3.177 0.000 . 2 . . . . A 19 ARG HD2 . 34703 1 201 . 1 . 1 19 19 ARG HD3 H 1 3.177 0.000 . 2 . . . . A 19 ARG HD3 . 34703 1 202 . 1 . 1 19 19 ARG HE H 1 7.172 0.000 . 1 . . . . A 19 ARG HE . 34703 1 203 . 1 . 1 19 19 ARG CB C 13 29.809 0.000 . 1 . . . . A 19 ARG CB . 34703 1 204 . 1 . 1 19 19 ARG CG C 13 27.194 0.000 . 1 . . . . A 19 ARG CG . 34703 1 205 . 1 . 1 19 19 ARG CD C 13 43.070 0.000 . 1 . . . . A 19 ARG CD . 34703 1 206 . 1 . 1 19 19 ARG N N 15 118.848 0.000 . 1 . . . . A 19 ARG N . 34703 1 207 . 1 . 1 19 19 ARG NE N 15 85.218 0.000 . 1 . . . . A 19 ARG NE . 34703 1 208 . 1 . 1 20 20 GLN H H 1 7.919 0.000 . 1 . . . . A 20 GLN H . 34703 1 209 . 1 . 1 20 20 GLN HA H 1 3.998 0.000 . 1 . . . . A 20 GLN HA . 34703 1 210 . 1 . 1 20 20 GLN HB2 H 1 2.099 0.000 . 2 . . . . A 20 GLN HB2 . 34703 1 211 . 1 . 1 20 20 GLN HB3 H 1 2.015 0.000 . 2 . . . . A 20 GLN HB3 . 34703 1 212 . 1 . 1 20 20 GLN HG2 H 1 2.413 0.000 . 2 . . . . A 20 GLN HG2 . 34703 1 213 . 1 . 1 20 20 GLN HG3 H 1 2.386 0.000 . 2 . . . . A 20 GLN HG3 . 34703 1 214 . 1 . 1 20 20 GLN HE21 H 1 7.406 0.000 . 2 . . . . A 20 GLN HE21 . 34703 1 215 . 1 . 1 20 20 GLN HE22 H 1 6.823 0.000 . 2 . . . . A 20 GLN HE22 . 34703 1 216 . 1 . 1 20 20 GLN CB C 13 28.030 0.000 . 1 . . . . A 20 GLN CB . 34703 1 217 . 1 . 1 20 20 GLN CG C 13 33.343 0.000 . 1 . . . . A 20 GLN CG . 34703 1 218 . 1 . 1 20 20 GLN N N 15 118.922 0.000 . 1 . . . . A 20 GLN N . 34703 1 219 . 1 . 1 20 20 GLN NE2 N 15 111.384 0.000 . 1 . . . . A 20 GLN NE2 . 34703 1 220 . 1 . 1 21 21 CYS H H 1 8.043 0.000 . 1 . . . . A 21 CYS H . 34703 1 221 . 1 . 1 21 21 CYS HA H 1 4.260 0.000 . 1 . . . . A 21 CYS HA . 34703 1 222 . 1 . 1 21 21 CYS HB2 H 1 3.432 0.000 . 2 . . . . A 21 CYS HB2 . 34703 1 223 . 1 . 1 21 21 CYS HB3 H 1 2.944 0.000 . 2 . . . . A 21 CYS HB3 . 34703 1 224 . 1 . 1 21 21 CYS CB C 13 35.628 0.000 . 1 . . . . A 21 CYS CB . 34703 1 225 . 1 . 1 21 21 CYS N N 15 120.091 0.000 . 1 . . . . A 21 CYS N . 34703 1 226 . 1 . 1 22 22 LYS H H 1 8.323 0.000 . 1 . . . . A 22 LYS H . 34703 1 227 . 1 . 1 22 22 LYS HA H 1 3.918 0.000 . 1 . . . . A 22 LYS HA . 34703 1 228 . 1 . 1 22 22 LYS HB2 H 1 1.878 0.000 . 2 . . . . A 22 LYS HB2 . 34703 1 229 . 1 . 1 22 22 LYS HB3 H 1 1.682 0.000 . 2 . . . . A 22 LYS HB3 . 34703 1 230 . 1 . 1 22 22 LYS HG2 H 1 1.229 0.000 . 2 . . . . A 22 LYS HG2 . 34703 1 231 . 1 . 1 22 22 LYS HG3 H 1 1.679 0.000 . 2 . . . . A 22 LYS HG3 . 34703 1 232 . 1 . 1 22 22 LYS HD2 H 1 1.620 0.000 . 2 . . . . A 22 LYS HD2 . 34703 1 233 . 1 . 1 22 22 LYS HD3 H 1 1.620 0.000 . 2 . . . . A 22 LYS HD3 . 34703 1 234 . 1 . 1 22 22 LYS HE2 H 1 2.817 0.000 . 2 . . . . A 22 LYS HE2 . 34703 1 235 . 1 . 1 22 22 LYS HE3 H 1 2.702 0.000 . 2 . . . . A 22 LYS HE3 . 34703 1 236 . 1 . 1 22 22 LYS CB C 13 32.897 0.000 . 1 . . . . A 22 LYS CB . 34703 1 237 . 1 . 1 22 22 LYS CG C 13 26.265 0.000 . 1 . . . . A 22 LYS CG . 34703 1 238 . 1 . 1 22 22 LYS CD C 13 28.800 0.000 . 1 . . . . A 22 LYS CD . 34703 1 239 . 1 . 1 22 22 LYS CE C 13 41.601 0.000 . 1 . . . . A 22 LYS CE . 34703 1 240 . 1 . 1 22 22 LYS N N 15 121.149 0.000 . 1 . . . . A 22 LYS N . 34703 1 241 . 1 . 1 23 23 LYS H H 1 7.899 0.000 . 1 . . . . A 23 LYS H . 34703 1 242 . 1 . 1 23 23 LYS HA H 1 4.104 0.000 . 1 . . . . A 23 LYS HA . 34703 1 243 . 1 . 1 23 23 LYS HB2 H 1 1.932 0.000 . 2 . . . . A 23 LYS HB2 . 34703 1 244 . 1 . 1 23 23 LYS HB3 H 1 1.932 0.000 . 2 . . . . A 23 LYS HB3 . 34703 1 245 . 1 . 1 23 23 LYS HG2 H 1 1.624 0.000 . 2 . . . . A 23 LYS HG2 . 34703 1 246 . 1 . 1 23 23 LYS HD2 H 1 1.696 0.000 . 2 . . . . A 23 LYS HD2 . 34703 1 247 . 1 . 1 23 23 LYS HD3 H 1 1.696 0.000 . 2 . . . . A 23 LYS HD3 . 34703 1 248 . 1 . 1 23 23 LYS HE2 H 1 2.961 0.000 . 2 . . . . A 23 LYS HE2 . 34703 1 249 . 1 . 1 23 23 LYS HE3 H 1 2.961 0.000 . 2 . . . . A 23 LYS HE3 . 34703 1 250 . 1 . 1 23 23 LYS CB C 13 31.944 0.000 . 1 . . . . A 23 LYS CB . 34703 1 251 . 1 . 1 23 23 LYS CG C 13 24.828 0.000 . 1 . . . . A 23 LYS CG . 34703 1 252 . 1 . 1 23 23 LYS CD C 13 28.938 0.000 . 1 . . . . A 23 LYS CD . 34703 1 253 . 1 . 1 23 23 LYS CE C 13 41.817 0.000 . 1 . . . . A 23 LYS CE . 34703 1 254 . 1 . 1 23 23 LYS N N 15 119.847 0.000 . 1 . . . . A 23 LYS N . 34703 1 255 . 1 . 1 24 24 GLY H H 1 7.842 0.000 . 1 . . . . A 24 GLY H . 34703 1 256 . 1 . 1 24 24 GLY HA2 H 1 4.123 0.000 . 2 . . . . A 24 GLY HA2 . 34703 1 257 . 1 . 1 24 24 GLY HA3 H 1 3.909 0.000 . 2 . . . . A 24 GLY HA3 . 34703 1 258 . 1 . 1 24 24 GLY CA C 13 45.431 0.000 . 1 . . . . A 24 GLY CA . 34703 1 259 . 1 . 1 24 24 GLY N N 15 105.733 0.000 . 1 . . . . A 24 GLY N . 34703 1 260 . 1 . 1 25 25 CYS H H 1 7.659 0.000 . 1 . . . . A 25 CYS H . 34703 1 261 . 1 . 1 25 25 CYS HA H 1 4.632 0.000 . 1 . . . . A 25 CYS HA . 34703 1 262 . 1 . 1 25 25 CYS HB2 H 1 2.990 0.000 . 2 . . . . A 25 CYS HB2 . 34703 1 263 . 1 . 1 25 25 CYS HB3 H 1 2.990 0.000 . 2 . . . . A 25 CYS HB3 . 34703 1 264 . 1 . 1 25 25 CYS CB C 13 38.640 0.000 . 1 . . . . A 25 CYS CB . 34703 1 265 . 1 . 1 25 25 CYS N N 15 118.746 0.000 . 1 . . . . A 25 CYS N . 34703 1 266 . 1 . 1 26 26 ARG H H 1 8.076 0.000 . 1 . . . . A 26 ARG H . 34703 1 267 . 1 . 1 26 26 ARG HA H 1 4.251 0.000 . 1 . . . . A 26 ARG HA . 34703 1 268 . 1 . 1 26 26 ARG HB2 H 1 1.766 0.000 . 2 . . . . A 26 ARG HB2 . 34703 1 269 . 1 . 1 26 26 ARG HB3 H 1 1.734 0.000 . 2 . . . . A 26 ARG HB3 . 34703 1 270 . 1 . 1 26 26 ARG HG2 H 1 1.459 0.000 . 2 . . . . A 26 ARG HG2 . 34703 1 271 . 1 . 1 26 26 ARG HG3 H 1 1.419 0.000 . 2 . . . . A 26 ARG HG3 . 34703 1 272 . 1 . 1 26 26 ARG HD2 H 1 3.140 0.000 . 2 . . . . A 26 ARG HD2 . 34703 1 273 . 1 . 1 26 26 ARG HD3 H 1 3.140 0.000 . 2 . . . . A 26 ARG HD3 . 34703 1 274 . 1 . 1 26 26 ARG HE H 1 7.131 0.000 . 1 . . . . A 26 ARG HE . 34703 1 275 . 1 . 1 26 26 ARG CB C 13 30.238 0.000 . 1 . . . . A 26 ARG CB . 34703 1 276 . 1 . 1 26 26 ARG CG C 13 26.551 0.000 . 1 . . . . A 26 ARG CG . 34703 1 277 . 1 . 1 26 26 ARG CD C 13 43.028 0.000 . 1 . . . . A 26 ARG CD . 34703 1 278 . 1 . 1 26 26 ARG N N 15 121.435 0.000 . 1 . . . . A 26 ARG N . 34703 1 279 . 1 . 1 26 26 ARG NE N 15 84.837 0.000 . 1 . . . . A 26 ARG NE . 34703 1 280 . 1 . 1 27 27 TYR H H 1 8.056 0.000 . 1 . . . . A 27 TYR H . 34703 1 281 . 1 . 1 27 27 TYR HA H 1 4.680 0.000 . 1 . . . . A 27 TYR HA . 34703 1 282 . 1 . 1 27 27 TYR HB2 H 1 3.206 0.000 . 2 . . . . A 27 TYR HB2 . 34703 1 283 . 1 . 1 27 27 TYR HB3 H 1 2.932 0.000 . 2 . . . . A 27 TYR HB3 . 34703 1 284 . 1 . 1 27 27 TYR HD1 H 1 7.181 0.000 . 1 . . . . A 27 TYR HD1 . 34703 1 285 . 1 . 1 27 27 TYR HD2 H 1 7.181 0.000 . 1 . . . . A 27 TYR HD2 . 34703 1 286 . 1 . 1 27 27 TYR HE1 H 1 6.841 0.000 . 1 . . . . A 27 TYR HE1 . 34703 1 287 . 1 . 1 27 27 TYR HE2 H 1 6.841 0.000 . 1 . . . . A 27 TYR HE2 . 34703 1 288 . 1 . 1 27 27 TYR CB C 13 38.617 0.000 . 1 . . . . A 27 TYR CB . 34703 1 289 . 1 . 1 27 27 TYR CD1 C 13 132.618 0.000 . 1 . . . . A 27 TYR CD1 . 34703 1 290 . 1 . 1 27 27 TYR CE1 C 13 117.789 0.000 . 1 . . . . A 27 TYR CE1 . 34703 1 291 . 1 . 1 27 27 TYR N N 15 119.843 0.000 . 1 . . . . A 27 TYR N . 34703 1 292 . 1 . 1 28 28 GLY H H 1 7.839 0.000 . 1 . . . . A 28 GLY H . 34703 1 293 . 1 . 1 28 28 GLY HA2 H 1 3.769 0.000 . 2 . . . . A 28 GLY HA2 . 34703 1 294 . 1 . 1 28 28 GLY HA3 H 1 3.769 0.000 . 2 . . . . A 28 GLY HA3 . 34703 1 295 . 1 . 1 28 28 GLY CA C 13 45.932 0.000 . 1 . . . . A 28 GLY CA . 34703 1 296 . 1 . 1 28 28 GLY N N 15 116.099 0.000 . 1 . . . . A 28 GLY N . 34703 1 stop_ save_