################################### # 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 30022 _Assigned_chem_shift_list.ID 1 _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 'Proton 1D' . . . 30022 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $software_4 . . 30022 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.025 0.000 . . . . 1 A 1 SER HA . 30022 1 2 . 1 1 1 1 SER HB2 H 1 3.856 0.000 . . . . 1 A 1 SER HB2 . 30022 1 3 . 1 1 1 1 SER HB3 H 1 3.856 0.000 . . . . 1 A 1 SER HB3 . 30022 1 4 . 1 1 2 2 LYS H H 1 8.483 0.001 . . . . 1 A 2 LYS H . 30022 1 5 . 1 1 2 2 LYS HA H 1 4.036 0.002 . . . . 1 A 2 LYS HA . 30022 1 6 . 1 1 2 2 LYS HB2 H 1 1.582 0.005 . . . . 1 A 2 LYS HB2 . 30022 1 7 . 1 1 2 2 LYS HB3 H 1 1.582 0.005 . . . . 1 A 2 LYS HB3 . 30022 1 8 . 1 1 2 2 LYS HG2 H 1 1.284 0.002 . . . . 1 A 2 LYS HG2 . 30022 1 9 . 1 1 2 2 LYS HG3 H 1 1.206 0.003 . . . . 1 A 2 LYS HG3 . 30022 1 10 . 1 1 2 2 LYS HD2 H 1 1.454 0.004 . . . . 1 A 2 LYS HD2 . 30022 1 11 . 1 1 2 2 LYS HD3 H 1 1.454 0.004 . . . . 1 A 2 LYS HD3 . 30022 1 12 . 1 1 2 2 LYS HE2 H 1 2.715 0.002 . . . . 1 A 2 LYS HE2 . 30022 1 13 . 1 1 2 2 LYS HE3 H 1 2.715 0.002 . . . . 1 A 2 LYS HE3 . 30022 1 14 . 1 1 2 2 LYS HZ1 H 1 7.125 0.002 . . . . 1 A 2 LYS HZ1 . 30022 1 15 . 1 1 2 2 LYS HZ2 H 1 7.125 0.002 . . . . 1 A 2 LYS HZ2 . 30022 1 16 . 1 1 2 2 LYS HZ3 H 1 7.125 0.002 . . . . 1 A 2 LYS HZ3 . 30022 1 17 . 1 1 3 3 CYS H H 1 7.692 0.000 . . . . 1 A 3 CYS H . 30022 1 18 . 1 1 3 3 CYS HA H 1 4.067 0.003 . . . . 1 A 3 CYS HA . 30022 1 19 . 1 1 3 3 CYS HB2 H 1 2.737 0.001 . . . . 1 A 3 CYS HB2 . 30022 1 20 . 1 1 3 3 CYS HB3 H 1 1.708 0.001 . . . . 1 A 3 CYS HB3 . 30022 1 21 . 1 1 4 4 ARG H H 1 7.607 0.000 . . . . 1 A 4 ARG H . 30022 1 22 . 1 1 4 4 ARG HA H 1 3.895 0.000 . . . . 1 A 4 ARG HA . 30022 1 23 . 1 1 4 4 ARG HB2 H 1 1.646 0.004 . . . . 1 A 4 ARG HB2 . 30022 1 24 . 1 1 4 4 ARG HB3 H 1 1.646 0.004 . . . . 1 A 4 ARG HB3 . 30022 1 25 . 1 1 4 4 ARG HG2 H 1 1.502 0.003 . . . . 1 A 4 ARG HG2 . 30022 1 26 . 1 1 4 4 ARG HG3 H 1 1.457 0.005 . . . . 1 A 4 ARG HG3 . 30022 1 27 . 1 1 4 4 ARG HD2 H 1 2.975 0.002 . . . . 1 A 4 ARG HD2 . 30022 1 28 . 1 1 4 4 ARG HD3 H 1 2.975 0.002 . . . . 1 A 4 ARG HD3 . 30022 1 29 . 1 1 4 4 ARG HE H 1 6.825 0.000 . . . . 1 A 4 ARG HE . 30022 1 30 . 1 1 5 5 GLN H H 1 7.924 0.001 . . . . 1 A 5 GLN H . 30022 1 31 . 1 1 5 5 GLN HA H 1 3.811 0.002 . . . . 1 A 5 GLN HA . 30022 1 32 . 1 1 5 5 GLN HB2 H 1 2.000 0.002 . . . . 1 A 5 GLN HB2 . 30022 1 33 . 1 1 5 5 GLN HB3 H 1 1.946 0.004 . . . . 1 A 5 GLN HB3 . 30022 1 34 . 1 1 5 5 GLN HG2 H 1 2.200 0.004 . . . . 1 A 5 GLN HG2 . 30022 1 35 . 1 1 5 5 GLN HG3 H 1 2.200 0.004 . . . . 1 A 5 GLN HG3 . 30022 1 36 . 1 1 5 5 GLN HE21 H 1 6.802 0.000 . . . . 1 A 5 GLN HE21 . 30022 1 37 . 1 1 5 5 GLN HE22 H 1 5.951 0.000 . . . . 1 A 5 GLN HE22 . 30022 1 38 . 1 1 6 6 TRP H H 1 7.907 0.000 . . . . 1 A 6 TRP H . 30022 1 39 . 1 1 6 6 TRP HA H 1 4.234 0.002 . . . . 1 A 6 TRP HA . 30022 1 40 . 1 1 6 6 TRP HB2 H 1 3.165 0.000 . . . . 1 A 6 TRP HB2 . 30022 1 41 . 1 1 6 6 TRP HB3 H 1 3.165 0.000 . . . . 1 A 6 TRP HB3 . 30022 1 42 . 1 1 6 6 TRP HD1 H 1 6.910 0.000 . . . . 1 A 6 TRP HD1 . 30022 1 43 . 1 1 6 6 TRP HE1 H 1 9.045 0.000 . . . . 1 A 6 TRP HE1 . 30022 1 44 . 1 1 6 6 TRP HE3 H 1 7.321 0.001 . . . . 1 A 6 TRP HE3 . 30022 1 45 . 1 1 6 6 TRP HZ2 H 1 7.172 0.001 . . . . 1 A 6 TRP HZ2 . 30022 1 46 . 1 1 6 6 TRP HZ3 H 1 6.854 0.001 . . . . 1 A 6 TRP HZ3 . 30022 1 47 . 1 1 6 6 TRP HH2 H 1 6.948 0.001 . . . . 1 A 6 TRP HH2 . 30022 1 48 . 1 1 7 7 GLN H H 1 8.041 0.002 . . . . 1 A 7 GLN H . 30022 1 49 . 1 1 7 7 GLN HA H 1 3.595 0.002 . . . . 1 A 7 GLN HA . 30022 1 50 . 1 1 7 7 GLN HB2 H 1 1.922 0.006 . . . . 1 A 7 GLN HB2 . 30022 1 51 . 1 1 7 7 GLN HB3 H 1 1.840 0.000 . . . . 1 A 7 GLN HB3 . 30022 1 52 . 1 1 7 7 GLN HG2 H 1 2.196 0.003 . . . . 1 A 7 GLN HG2 . 30022 1 53 . 1 1 7 7 GLN HG3 H 1 2.061 0.002 . . . . 1 A 7 GLN HG3 . 30022 1 54 . 1 1 7 7 GLN HE21 H 1 6.425 0.000 . . . . 1 A 7 GLN HE21 . 30022 1 55 . 1 1 7 7 GLN HE22 H 1 5.883 0.000 . . . . 1 A 7 GLN HE22 . 30022 1 56 . 1 1 8 8 SER H H 1 7.771 0.001 . . . . 1 A 8 SER H . 30022 1 57 . 1 1 8 8 SER HA H 1 3.894 0.003 . . . . 1 A 8 SER HA . 30022 1 58 . 1 1 8 8 SER HB2 H 1 3.810 0.003 . . . . 1 A 8 SER HB2 . 30022 1 59 . 1 1 8 8 SER HB3 H 1 3.769 0.002 . . . . 1 A 8 SER HB3 . 30022 1 60 . 1 1 9 9 LYS H H 1 7.495 0.002 . . . . 1 A 9 LYS H . 30022 1 61 . 1 1 9 9 LYS HA H 1 3.764 0.003 . . . . 1 A 9 LYS HA . 30022 1 62 . 1 1 9 9 LYS HB2 H 1 1.705 0.001 . . . . 1 A 9 LYS HB2 . 30022 1 63 . 1 1 9 9 LYS HB3 H 1 1.705 0.001 . . . . 1 A 9 LYS HB3 . 30022 1 64 . 1 1 9 9 LYS HG2 H 1 1.133 0.002 . . . . 1 A 9 LYS HG2 . 30022 1 65 . 1 1 9 9 LYS HG3 H 1 1.133 0.002 . . . . 1 A 9 LYS HG3 . 30022 1 66 . 1 1 9 9 LYS HD2 H 1 1.375 0.003 . . . . 1 A 9 LYS HD2 . 30022 1 67 . 1 1 9 9 LYS HD3 H 1 1.304 0.007 . . . . 1 A 9 LYS HD3 . 30022 1 68 . 1 1 9 9 LYS HE2 H 1 2.657 0.002 . . . . 1 A 9 LYS HE2 . 30022 1 69 . 1 1 9 9 LYS HE3 H 1 2.657 0.002 . . . . 1 A 9 LYS HE3 . 30022 1 70 . 1 1 9 9 LYS HZ1 H 1 7.035 0.004 . . . . 1 A 9 LYS HZ1 . 30022 1 71 . 1 1 9 9 LYS HZ2 H 1 7.035 0.004 . . . . 1 A 9 LYS HZ2 . 30022 1 72 . 1 1 9 9 LYS HZ3 H 1 7.035 0.004 . . . . 1 A 9 LYS HZ3 . 30022 1 73 . 1 1 10 10 ILE H H 1 7.818 0.001 . . . . 1 A 10 ILE H . 30022 1 74 . 1 1 10 10 ILE HA H 1 3.459 0.001 . . . . 1 A 10 ILE HA . 30022 1 75 . 1 1 10 10 ILE HB H 1 1.573 0.004 . . . . 1 A 10 ILE HB . 30022 1 76 . 1 1 10 10 ILE HG12 H 1 1.164 0.001 . . . . 1 A 10 ILE HG12 . 30022 1 77 . 1 1 10 10 ILE HG13 H 1 0.818 0.006 . . . . 1 A 10 ILE HG13 . 30022 1 78 . 1 1 10 10 ILE HG21 H 1 0.579 0.004 . . . . 1 A 10 ILE HG21 . 30022 1 79 . 1 1 10 10 ILE HG22 H 1 0.579 0.004 . . . . 1 A 10 ILE HG22 . 30022 1 80 . 1 1 10 10 ILE HG23 H 1 0.579 0.004 . . . . 1 A 10 ILE HG23 . 30022 1 81 . 1 1 10 10 ILE HD11 H 1 0.451 0.001 . . . . 1 A 10 ILE HD11 . 30022 1 82 . 1 1 10 10 ILE HD12 H 1 0.451 0.001 . . . . 1 A 10 ILE HD12 . 30022 1 83 . 1 1 10 10 ILE HD13 H 1 0.451 0.001 . . . . 1 A 10 ILE HD13 . 30022 1 84 . 1 1 11 11 ARG H H 1 7.681 0.001 . . . . 1 A 11 ARG H . 30022 1 85 . 1 1 11 11 ARG HA H 1 3.770 0.002 . . . . 1 A 11 ARG HA . 30022 1 86 . 1 1 11 11 ARG HB2 H 1 1.545 0.004 . . . . 1 A 11 ARG HB2 . 30022 1 87 . 1 1 11 11 ARG HB3 H 1 1.545 0.004 . . . . 1 A 11 ARG HB3 . 30022 1 88 . 1 1 11 11 ARG HG2 H 1 1.277 0.005 . . . . 1 A 11 ARG HG2 . 30022 1 89 . 1 1 11 11 ARG HG3 H 1 1.277 0.005 . . . . 1 A 11 ARG HG3 . 30022 1 90 . 1 1 11 11 ARG HD2 H 1 2.815 0.001 . . . . 1 A 11 ARG HD2 . 30022 1 91 . 1 1 11 11 ARG HD3 H 1 2.815 0.001 . . . . 1 A 11 ARG HD3 . 30022 1 92 . 1 1 11 11 ARG HE H 1 6.709 0.000 . . . . 1 A 11 ARG HE . 30022 1 93 . 1 1 12 12 ARG H H 1 7.436 0.003 . . . . 1 A 12 ARG H . 30022 1 94 . 1 1 12 12 ARG HA H 1 3.948 0.002 . . . . 1 A 12 ARG HA . 30022 1 95 . 1 1 12 12 ARG HB2 H 1 1.697 0.006 . . . . 1 A 12 ARG HB2 . 30022 1 96 . 1 1 12 12 ARG HB3 H 1 1.595 0.005 . . . . 1 A 12 ARG HB3 . 30022 1 97 . 1 1 12 12 ARG HG2 H 1 1.511 0.002 . . . . 1 A 12 ARG HG2 . 30022 1 98 . 1 1 12 12 ARG HG3 H 1 1.407 0.002 . . . . 1 A 12 ARG HG3 . 30022 1 99 . 1 1 12 12 ARG HD2 H 1 2.896 0.004 . . . . 1 A 12 ARG HD2 . 30022 1 100 . 1 1 12 12 ARG HD3 H 1 2.896 0.004 . . . . 1 A 12 ARG HD3 . 30022 1 101 . 1 1 12 12 ARG HE H 1 6.610 0.001 . . . . 1 A 12 ARG HE . 30022 1 102 . 1 1 13 13 THR H H 1 7.346 0.004 . . . . 1 A 13 THR H . 30022 1 103 . 1 1 13 13 THR HA H 1 4.103 0.002 . . . . 1 A 13 THR HA . 30022 1 104 . 1 1 13 13 THR HB H 1 1.011 0.002 . . . . 1 A 13 THR HB . 30022 1 105 . 1 1 14 14 ASN H H 1 7.542 0.001 . . . . 1 A 14 ASN H . 30022 1 106 . 1 1 14 14 ASN HA H 1 4.728 0.003 . . . . 1 A 14 ASN HA . 30022 1 107 . 1 1 14 14 ASN HB2 H 1 2.796 0.005 . . . . 1 A 14 ASN HB2 . 30022 1 108 . 1 1 14 14 ASN HB3 H 1 2.591 0.004 . . . . 1 A 14 ASN HB3 . 30022 1 109 . 1 1 14 14 ASN HD21 H 1 5.753 0.000 . . . . 1 A 14 ASN HD21 . 30022 1 110 . 1 1 14 14 ASN HD22 H 1 6.755 0.000 . . . . 1 A 14 ASN HD22 . 30022 1 111 . 1 1 15 15 PRO HA H 1 4.104 0.001 . . . . 1 A 15 PRO HA . 30022 1 112 . 1 1 15 15 PRO HB2 H 1 2.155 0.002 . . . . 1 A 15 PRO HB2 . 30022 1 113 . 1 1 15 15 PRO HB3 H 1 1.717 0.000 . . . . 1 A 15 PRO HB3 . 30022 1 114 . 1 1 15 15 PRO HG2 H 1 1.843 0.002 . . . . 1 A 15 PRO HG2 . 30022 1 115 . 1 1 15 15 PRO HG3 H 1 1.843 0.002 . . . . 1 A 15 PRO HG3 . 30022 1 116 . 1 1 15 15 PRO HD2 H 1 3.532 0.000 . . . . 1 A 15 PRO HD2 . 30022 1 117 . 1 1 15 15 PRO HD3 H 1 3.421 0.000 . . . . 1 A 15 PRO HD3 . 30022 1 118 . 1 1 16 16 ILE H H 1 7.443 0.001 . . . . 1 A 16 ILE H . 30022 1 119 . 1 1 16 16 ILE HA H 1 3.579 0.005 . . . . 1 A 16 ILE HA . 30022 1 120 . 1 1 16 16 ILE HB H 1 1.665 0.002 . . . . 1 A 16 ILE HB . 30022 1 121 . 1 1 16 16 ILE HG12 H 1 1.017 0.008 . . . . 1 A 16 ILE HG12 . 30022 1 122 . 1 1 16 16 ILE HG13 H 1 0.620 0.003 . . . . 1 A 16 ILE HG13 . 30022 1 123 . 1 1 16 16 ILE HG21 H 1 0.553 0.000 . . . . 1 A 16 ILE HG21 . 30022 1 124 . 1 1 16 16 ILE HG22 H 1 0.553 0.000 . . . . 1 A 16 ILE HG22 . 30022 1 125 . 1 1 16 16 ILE HG23 H 1 0.553 0.000 . . . . 1 A 16 ILE HG23 . 30022 1 126 . 1 1 16 16 ILE HD11 H 1 1.254 0.006 . . . . 1 A 16 ILE HD11 . 30022 1 127 . 1 1 16 16 ILE HD12 H 1 1.254 0.006 . . . . 1 A 16 ILE HD12 . 30022 1 128 . 1 1 16 16 ILE HD13 H 1 1.254 0.006 . . . . 1 A 16 ILE HD13 . 30022 1 129 . 1 1 17 17 PHE H H 1 7.277 0.002 . . . . 1 A 17 PHE H . 30022 1 130 . 1 1 17 17 PHE HA H 1 4.059 0.001 . . . . 1 A 17 PHE HA . 30022 1 131 . 1 1 17 17 PHE HB2 H 1 2.941 0.002 . . . . 1 A 17 PHE HB2 . 30022 1 132 . 1 1 17 17 PHE HB3 H 1 3.085 0.005 . . . . 1 A 17 PHE HB3 . 30022 1 133 . 1 1 17 17 PHE HD1 H 1 7.218 0.000 . . . . 1 A 17 PHE HD1 . 30022 1 134 . 1 1 17 17 PHE HD2 H 1 7.218 0.000 . . . . 1 A 17 PHE HD2 . 30022 1 135 . 1 1 17 17 PHE HE1 H 1 7.585 0.000 . . . . 1 A 17 PHE HE1 . 30022 1 136 . 1 1 17 17 PHE HE2 H 1 7.513 0.000 . . . . 1 A 17 PHE HE2 . 30022 1 137 . 1 1 17 17 PHE HZ H 1 7.104 0.000 . . . . 1 A 17 PHE HZ . 30022 1 138 . 1 1 18 18 CYS H H 1 7.596 0.002 . . . . 1 A 18 CYS H . 30022 1 139 . 1 1 18 18 CYS HA H 1 3.873 0.004 . . . . 1 A 18 CYS HA . 30022 1 140 . 1 1 18 18 CYS HB2 H 1 2.635 0.003 . . . . 1 A 18 CYS HB2 . 30022 1 141 . 1 1 18 18 CYS HB3 H 1 2.876 0.005 . . . . 1 A 18 CYS HB3 . 30022 1 142 . 1 1 19 19 ILE H H 1 7.890 0.001 . . . . 1 A 19 ILE H . 30022 1 143 . 1 1 19 19 ILE HA H 1 3.609 0.000 . . . . 1 A 19 ILE HA . 30022 1 144 . 1 1 19 19 ILE HB H 1 1.672 0.004 . . . . 1 A 19 ILE HB . 30022 1 145 . 1 1 19 19 ILE HG12 H 1 0.929 0.004 . . . . 1 A 19 ILE HG12 . 30022 1 146 . 1 1 19 19 ILE HG13 H 1 1.481 0.003 . . . . 1 A 19 ILE HG13 . 30022 1 147 . 1 1 19 19 ILE HG21 H 1 0.678 0.003 . . . . 1 A 19 ILE HG21 . 30022 1 148 . 1 1 19 19 ILE HG22 H 1 0.678 0.003 . . . . 1 A 19 ILE HG22 . 30022 1 149 . 1 1 19 19 ILE HG23 H 1 0.678 0.003 . . . . 1 A 19 ILE HG23 . 30022 1 150 . 1 1 19 19 ILE HD11 H 1 0.614 0.003 . . . . 1 A 19 ILE HD11 . 30022 1 151 . 1 1 19 19 ILE HD12 H 1 0.614 0.003 . . . . 1 A 19 ILE HD12 . 30022 1 152 . 1 1 19 19 ILE HD13 H 1 0.614 0.003 . . . . 1 A 19 ILE HD13 . 30022 1 153 . 1 1 20 20 ARG HB2 H 1 1.499 0.000 . . . . 1 A 20 ARG HB2 . 30022 1 154 . 1 1 20 20 ARG HB3 H 1 1.499 0.000 . . . . 1 A 20 ARG HB3 . 30022 1 155 . 1 1 20 20 ARG HG2 H 1 1.362 0.000 . . . . 1 A 20 ARG HG2 . 30022 1 156 . 1 1 20 20 ARG HG3 H 1 1.362 0.000 . . . . 1 A 20 ARG HG3 . 30022 1 157 . 1 1 20 20 ARG HD2 H 1 2.853 0.007 . . . . 1 A 20 ARG HD2 . 30022 1 158 . 1 1 20 20 ARG HD3 H 1 2.853 0.007 . . . . 1 A 20 ARG HD3 . 30022 1 159 . 1 1 21 21 ARG H H 1 7.847 0.003 . . . . 1 A 21 ARG H . 30022 1 160 . 1 1 21 21 ARG HB2 H 1 1.484 0.000 . . . . 1 A 21 ARG HB2 . 30022 1 161 . 1 1 21 21 ARG HB3 H 1 1.484 0.000 . . . . 1 A 21 ARG HB3 . 30022 1 162 . 1 1 21 21 ARG HG2 H 1 1.370 0.000 . . . . 1 A 21 ARG HG2 . 30022 1 163 . 1 1 21 21 ARG HG3 H 1 1.370 0.000 . . . . 1 A 21 ARG HG3 . 30022 1 164 . 1 1 21 21 ARG HD2 H 1 2.865 0.000 . . . . 1 A 21 ARG HD2 . 30022 1 165 . 1 1 21 21 ARG HD3 H 1 2.865 0.000 . . . . 1 A 21 ARG HD3 . 30022 1 166 . 1 1 21 21 ARG HE H 1 6.617 0.001 . . . . 1 A 21 ARG HE . 30022 1 167 . 1 1 22 22 ALA H H 1 7.405 0.003 . . . . 1 A 22 ALA H . 30022 1 168 . 1 1 22 22 ALA HA H 1 4.104 0.003 . . . . 1 A 22 ALA HA . 30022 1 169 . 1 1 22 22 ALA HB1 H 1 1.215 0.000 . . . . 1 A 22 ALA HB1 . 30022 1 170 . 1 1 22 22 ALA HB2 H 1 1.215 0.000 . . . . 1 A 22 ALA HB2 . 30022 1 171 . 1 1 22 22 ALA HB3 H 1 1.215 0.000 . . . . 1 A 22 ALA HB3 . 30022 1 172 . 1 1 23 23 SER H H 1 7.464 0.000 . . . . 1 A 23 SER H . 30022 1 173 . 1 1 23 23 SER HA H 1 4.127 0.000 . . . . 1 A 23 SER HA . 30022 1 174 . 1 1 23 23 SER HB2 H 1 3.711 0.000 . . . . 1 A 23 SER HB2 . 30022 1 175 . 1 1 23 23 SER HB3 H 1 3.711 0.000 . . . . 1 A 23 SER HB3 . 30022 1 176 . 1 1 24 24 PRO HB2 H 1 1.343 0.005 . . . . 1 A 24 PRO HB2 . 30022 1 177 . 1 1 24 24 PRO HB3 H 1 1.063 0.005 . . . . 1 A 24 PRO HB3 . 30022 1 178 . 1 1 24 24 PRO HG2 H 1 1.339 0.000 . . . . 1 A 24 PRO HG2 . 30022 1 179 . 1 1 24 24 PRO HG3 H 1 1.339 0.000 . . . . 1 A 24 PRO HG3 . 30022 1 180 . 1 1 24 24 PRO HD2 H 1 2.061 0.000 . . . . 1 A 24 PRO HD2 . 30022 1 181 . 1 1 24 24 PRO HD3 H 1 1.975 0.000 . . . . 1 A 24 PRO HD3 . 30022 1 182 . 1 1 25 25 THR HA H 1 4.327 0.000 . . . . 1 A 25 THR HA . 30022 1 183 . 1 1 25 25 THR HB H 1 2.005 0.004 . . . . 1 A 25 THR HB . 30022 1 stop_ save_