################################### # 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_chemical_shift_ch_A _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_ch_A _Assigned_chem_shift_list.Entry_ID 7342 _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 $chemical_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' 1 $sample . 7342 1 2 '2D DQF-COSY' 1 $sample . 7342 1 3 '2D TOCSY' 1 $sample . 7342 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 ARG HA H 1 4.03 0.02 . 1 . . . . 23 ARG HA . 7342 1 2 . 1 1 1 1 ARG HB2 H 1 1.90 0.02 . 2 . . . . 23 ARG HB2 . 7342 1 3 . 1 1 1 1 ARG HB3 H 1 1.82 0.02 . 2 . . . . 23 ARG HB3 . 7342 1 4 . 1 1 1 1 ARG HD2 H 1 3.20 0.02 . 1 . . . . 23 ARG HD2 . 7342 1 5 . 1 1 1 1 ARG HD3 H 1 3.20 0.02 . 1 . . . . 23 ARG HD3 . 7342 1 6 . 1 1 1 1 ARG HG2 H 1 1.64 0.02 . 1 . . . . 23 ARG HG2 . 7342 1 7 . 1 1 1 1 ARG HG3 H 1 1.64 0.02 . 1 . . . . 23 ARG HG3 . 7342 1 8 . 1 1 1 1 ARG HH11 H 1 7.25 0.02 . 1 . . . . 23 ARG HH11 . 7342 1 9 . 1 1 1 1 ARG HH12 H 1 7.25 0.02 . 1 . . . . 23 ARG HH12 . 7342 1 10 . 1 1 2 2 ALA H H 1 8.79 0.02 . 1 . . . . 24 ALA H . 7342 1 11 . 1 1 2 2 ALA HA H 1 4.64 0.02 . 1 . . . . 24 ALA HA . 7342 1 12 . 1 1 2 2 ALA HB1 H 1 1.38 0.02 . 1 . . . . 24 ALA HB . 7342 1 13 . 1 1 2 2 ALA HB2 H 1 1.38 0.02 . 1 . . . . 24 ALA HB . 7342 1 14 . 1 1 2 2 ALA HB3 H 1 1.38 0.02 . 1 . . . . 24 ALA HB . 7342 1 15 . 1 1 3 3 PRO HA H 1 4.43 0.02 . 1 . . . . 25 PRO HA . 7342 1 16 . 1 1 3 3 PRO HB2 H 1 2.09 0.02 . 2 . . . . 25 PRO HB2 . 7342 1 17 . 1 1 3 3 PRO HB3 H 1 1.92 0.02 . 2 . . . . 25 PRO HB3 . 7342 1 18 . 1 1 3 3 PRO HD2 H 1 3.80 0.02 . 2 . . . . 25 PRO HD2 . 7342 1 19 . 1 1 3 3 PRO HD3 H 1 3.60 0.02 . 2 . . . . 25 PRO HD3 . 7342 1 20 . 1 1 3 3 PRO HG2 H 1 2.30 0.02 . 1 . . . . 25 PRO HG2 . 7342 1 21 . 1 1 3 3 PRO HG3 H 1 2.30 0.02 . 1 . . . . 25 PRO HG3 . 7342 1 22 . 1 1 4 4 ARG H H 1 8.44 0.02 . 1 . . . . 26 ARG HN . 7342 1 23 . 1 1 4 4 ARG HA H 1 4.53 0.02 . 1 . . . . 26 ARG HA . 7342 1 24 . 1 1 4 4 ARG HB2 H 1 1.79 0.02 . 2 . . . . 26 ARG HB2 . 7342 1 25 . 1 1 4 4 ARG HB3 H 1 1.63 0.02 . 2 . . . . 26 ARG HB3 . 7342 1 26 . 1 1 4 4 ARG HD2 H 1 3.19 0.02 . 1 . . . . 26 ARG HD2 . 7342 1 27 . 1 1 4 4 ARG HD3 H 1 3.19 0.02 . 1 . . . . 26 ARG HD3 . 7342 1 28 . 1 1 4 4 ARG HG2 H 1 1.42 0.02 . 1 . . . . 26 ARG HG2 . 7342 1 29 . 1 1 4 4 ARG HG3 H 1 1.42 0.02 . 1 . . . . 26 ARG HG3 . 7342 1 30 . 1 1 4 4 ARG HH11 H 1 7.09 0.02 . 1 . . . . 26 ARG HH11 . 7342 1 31 . 1 1 4 4 ARG HH12 H 1 7.09 0.02 . 1 . . . . 26 ARG HH12 . 7342 1 32 . 1 1 5 5 ARG H H 1 8.40 0.02 . 1 . . . . 27 ARG HN . 7342 1 33 . 1 1 5 5 ARG HA H 1 4.29 0.02 . 1 . . . . 27 ARG HA . 7342 1 34 . 1 1 5 5 ARG HB2 H 1 1.78 0.02 . 2 . . . . 27 ARG HB2 . 7342 1 35 . 1 1 5 5 ARG HB3 H 1 1.64 0.02 . 2 . . . . 27 ARG HB3 . 7342 1 36 . 1 1 5 5 ARG HD2 H 1 3.15 0.02 . 1 . . . . 27 ARG HD2 . 7342 1 37 . 1 1 5 5 ARG HD3 H 1 3.15 0.02 . 1 . . . . 27 ARG HD3 . 7342 1 38 . 1 1 5 5 ARG HG2 H 1 1.42 0.02 . 1 . . . . 27 ARG HG2 . 7342 1 39 . 1 1 5 5 ARG HG3 H 1 1.42 0.02 . 1 . . . . 27 ARG HG3 . 7342 1 40 . 1 1 5 5 ARG HH11 H 1 7.16 0.02 . 1 . . . . 27 ARG HH11 . 7342 1 41 . 1 1 5 5 ARG HH12 H 1 7.16 0.02 . 1 . . . . 27 ARG HH12 . 7342 1 42 . 1 1 6 6 GLN H H 1 8.47 0.02 . 1 . . . . 28 GLN H . 7342 1 43 . 1 1 6 6 GLN HA H 1 4.36 0.02 . 1 . . . . 28 GLN HA . 7342 1 44 . 1 1 6 6 GLN HB2 H 1 2.08 0.02 . 2 . . . . 28 GLN HB2 . 7342 1 45 . 1 1 6 6 GLN HB3 H 1 1.96 0.02 . 2 . . . . 28 GLN HB3 . 7342 1 46 . 1 1 6 6 GLN HG2 H 1 2.36 0.02 . 1 . . . . 28 GLN HG2 . 7342 1 47 . 1 1 6 6 GLN HG3 H 1 2.36 0.02 . 1 . . . . 28 GLN HG3 . 7342 1 48 . 1 1 7 7 GLY H H 1 8.26 0.02 . 1 . . . . 29 GLY HN . 7342 1 49 . 1 1 7 7 GLY HA2 H 1 3.85 0.02 . 2 . . . . 29 GLY HA2 . 7342 1 50 . 1 1 7 7 GLY HA3 H 1 3.55 0.02 . 2 . . . . 29 GLY HA3 . 7342 1 51 . 1 1 8 8 CYS H H 1 8.25 0.02 . 1 . . . . 30 CYS HN . 7342 1 52 . 1 1 8 8 CYS HA H 1 4.12 0.02 . 1 . . . . 30 CYS HA . 7342 1 53 . 1 1 8 8 CYS HB2 H 1 2.95 0.02 . 2 . . . . 30 CYS HB2 . 7342 1 54 . 1 1 8 8 CYS HB3 H 1 2.20 0.02 . 2 . . . . 30 CYS HB3 . 7342 1 55 . 1 1 9 9 TRP H H 1 8.55 0.02 . 1 . . . . 31 TRP HN . 7342 1 56 . 1 1 9 9 TRP HA H 1 4.52 0.02 . 1 . . . . 31 TRP HA . 7342 1 57 . 1 1 9 9 TRP HB2 H 1 3.46 0.02 . 1 . . . . 31 TRP HB2 . 7342 1 58 . 1 1 9 9 TRP HB3 H 1 3.46 0.02 . 1 . . . . 31 TRP HB3 . 7342 1 59 . 1 1 9 9 TRP HD1 H 1 7.33 0.02 . 1 . . . . 31 TRP HD1 . 7342 1 60 . 1 1 9 9 TRP HE1 H 1 10.00 0.02 . 1 . . . . 31 TRP HE1 . 7342 1 61 . 1 1 9 9 TRP HE3 H 1 7.64 0.02 . 1 . . . . 31 TRP HE3 . 7342 1 62 . 1 1 9 9 TRP HH2 H 1 7.27 0.02 . 1 . . . . 31 TRP HH2 . 7342 1 63 . 1 1 9 9 TRP HZ2 H 1 7.55 0.02 . 1 . . . . 31 TRP HZ2 . 7342 1 64 . 1 1 9 9 TRP HZ3 H 1 7.18 0.02 . 1 . . . . 31 TRP HZ3 . 7342 1 65 . 1 1 10 10 LYS H H 1 9.30 0.02 . 1 . . . . 32 LYS H . 7342 1 66 . 1 1 10 10 LYS HA H 1 4.32 0.02 . 1 . . . . 32 LYS HA . 7342 1 67 . 1 1 10 10 LYS HB2 H 1 2.26 0.02 . 1 . . . . 32 LYS HB2 . 7342 1 68 . 1 1 10 10 LYS HB3 H 1 2.26 0.02 . 1 . . . . 32 LYS HB3 . 7342 1 69 . 1 1 10 10 LYS HD2 H 1 1.30 0.02 . 1 . . . . 32 LYS HD2 . 7342 1 70 . 1 1 10 10 LYS HD3 H 1 1.30 0.02 . 1 . . . . 32 LYS HD3 . 7342 1 71 . 1 1 10 10 LYS HE2 H 1 2.96 0.02 . 1 . . . . 32 LYS HE2 . 7342 1 72 . 1 1 10 10 LYS HE3 H 1 2.96 0.02 . 1 . . . . 32 LYS HE3 . 7342 1 73 . 1 1 10 10 LYS HG2 H 1 1.70 0.02 . 1 . . . . 32 LYS HG2 . 7342 1 74 . 1 1 10 10 LYS HG3 H 1 1.70 0.02 . 1 . . . . 32 LYS HG3 . 7342 1 75 . 1 1 10 10 LYS HZ1 H 1 7.25 0.02 . 1 . . . . 32 LYS HZ . 7342 1 76 . 1 1 10 10 LYS HZ2 H 1 7.25 0.02 . 1 . . . . 32 LYS HZ . 7342 1 77 . 1 1 10 10 LYS HZ3 H 1 7.25 0.02 . 1 . . . . 32 LYS HZ . 7342 1 78 . 1 1 11 11 CYS H H 1 8.49 0.02 . 1 . . . . 33 CYS H . 7342 1 79 . 1 1 11 11 CYS HA H 1 4.98 0.02 . 1 . . . . 33 CYS HA . 7342 1 80 . 1 1 11 11 CYS HB2 H 1 3.29 0.02 . 2 . . . . 33 CYS HB2 . 7342 1 81 . 1 1 11 11 CYS HB3 H 1 2.55 0.02 . 2 . . . . 33 CYS HB3 . 7342 1 82 . 1 1 12 12 GLY H H 1 8.20 0.02 . 1 . . . . 34 GLY H . 7342 1 83 . 1 1 12 12 GLY HA2 H 1 4.18 0.02 . 2 . . . . 34 GLY HA2 . 7342 1 84 . 1 1 12 12 GLY HA3 H 1 3.95 0.02 . 2 . . . . 34 GLY HA3 . 7342 1 85 . 1 1 13 13 LYS H H 1 8.25 0.02 . 1 . . . . 35 LYS H . 7342 1 86 . 1 1 13 13 LYS HA H 1 4.25 0.02 . 1 . . . . 35 LYS HA . 7342 1 87 . 1 1 13 13 LYS HB2 H 1 2.05 0.02 . 2 . . . . 35 LYS HB2 . 7342 1 88 . 1 1 13 13 LYS HB3 H 1 1.85 0.02 . 2 . . . . 35 LYS HB3 . 7342 1 89 . 1 1 13 13 LYS HD2 H 1 1.68 0.02 . 1 . . . . 35 LYS HD2 . 7342 1 90 . 1 1 13 13 LYS HD3 H 1 1.68 0.02 . 1 . . . . 35 LYS HD3 . 7342 1 91 . 1 1 13 13 LYS HE2 H 1 3.25 0.02 . 1 . . . . 35 LYS HE2 . 7342 1 92 . 1 1 13 13 LYS HE3 H 1 3.25 0.02 . 1 . . . . 35 LYS HE3 . 7342 1 93 . 1 1 13 13 LYS HG2 H 1 1.40 0.02 . 1 . . . . 35 LYS HG2 . 7342 1 94 . 1 1 13 13 LYS HG3 H 1 1.40 0.02 . 1 . . . . 35 LYS HG3 . 7342 1 95 . 1 1 14 14 THR H H 1 8.20 0.02 . 1 . . . . 36 THR H . 7342 1 96 . 1 1 14 14 THR HA H 1 4.36 0.02 . 1 . . . . 36 THR HA . 7342 1 97 . 1 1 14 14 THR HB H 1 4.25 0.02 . 1 . . . . 36 THR HB . 7342 1 98 . 1 1 14 14 THR HG21 H 1 1.19 0.02 . 1 . . . . 36 THR HG2 . 7342 1 99 . 1 1 14 14 THR HG22 H 1 1.19 0.02 . 1 . . . . 36 THR HG2 . 7342 1 100 . 1 1 14 14 THR HG23 H 1 1.19 0.02 . 1 . . . . 36 THR HG2 . 7342 1 101 . 1 1 15 15 GLY H H 1 8.56 0.02 . 1 . . . . 37 GLY H . 7342 1 102 . 1 1 15 15 GLY HA2 H 1 4.33 0.02 . 2 . . . . 37 GLY HA2 . 7342 1 103 . 1 1 15 15 GLY HA3 H 1 3.76 0.02 . 2 . . . . 37 GLY HA3 . 7342 1 104 . 1 1 16 16 HIS H H 1 7.18 0.02 . 1 . . . . 38 HIS H . 7342 1 105 . 1 1 16 16 HIS HA H 1 4.95 0.02 . 1 . . . . 38 HIS HA . 7342 1 106 . 1 1 16 16 HIS HB2 H 1 3.25 0.02 . 2 . . . . 38 HIS HB2 . 7342 1 107 . 1 1 16 16 HIS HB3 H 1 3.18 0.02 . 2 . . . . 38 HIS HB3 . 7342 1 108 . 1 1 16 16 HIS HD2 H 1 6.91 0.02 . 1 . . . . 38 HIS HD2 . 7342 1 109 . 1 1 16 16 HIS HE1 H 1 7.54 0.02 . 1 . . . . 38 HIS HE1 . 7342 1 110 . 1 1 17 17 VAL H H 1 7.95 0.02 . 1 . . . . 39 VAL H . 7342 1 111 . 1 1 17 17 VAL HA H 1 4.64 0.02 . 1 . . . . 39 VAL HA . 7342 1 112 . 1 1 17 17 VAL HB H 1 2.42 0.02 . 1 . . . . 39 VAL HB . 7342 1 113 . 1 1 17 17 VAL HG11 H 1 0.93 0.02 . 1 . . . . 39 VAL HG1 . 7342 1 114 . 1 1 17 17 VAL HG12 H 1 0.93 0.02 . 1 . . . . 39 VAL HG1 . 7342 1 115 . 1 1 17 17 VAL HG13 H 1 0.93 0.02 . 1 . . . . 39 VAL HG1 . 7342 1 116 . 1 1 17 17 VAL HG21 H 1 0.93 0.02 . 1 . . . . 39 VAL HG2 . 7342 1 117 . 1 1 17 17 VAL HG22 H 1 0.93 0.02 . 1 . . . . 39 VAL HG2 . 7342 1 118 . 1 1 17 17 VAL HG23 H 1 0.93 0.02 . 1 . . . . 39 VAL HG2 . 7342 1 119 . 1 1 18 18 MET H H 1 8.85 0.02 . 1 . . . . 40 MET H . 7342 1 120 . 1 1 18 18 MET HA H 1 4.45 0.02 . 1 . . . . 40 MET HA . 7342 1 121 . 1 1 18 18 MET HB2 H 1 2.22 0.02 . 1 . . . . 40 MET HB2 . 7342 1 122 . 1 1 18 18 MET HB3 H 1 2.22 0.02 . 1 . . . . 40 MET HB3 . 7342 1 123 . 1 1 18 18 MET HG2 H 1 2.62 0.02 . 1 . . . . 40 MET HG2 . 7342 1 124 . 1 1 18 18 MET HG3 H 1 2.62 0.02 . 1 . . . . 40 MET HG3 . 7342 1 125 . 1 1 19 19 ALA H H 1 8.54 0.02 . 1 . . . . 41 ALA H . 7342 1 126 . 1 1 19 19 ALA HA H 1 4.16 0.02 . 1 . . . . 41 ALA HA . 7342 1 127 . 1 1 19 19 ALA HB1 H 1 1.43 0.02 . 1 . . . . 41 ALA HB . 7342 1 128 . 1 1 19 19 ALA HB2 H 1 1.43 0.02 . 1 . . . . 41 ALA HB . 7342 1 129 . 1 1 19 19 ALA HB3 H 1 1.43 0.02 . 1 . . . . 41 ALA HB . 7342 1 130 . 1 1 20 20 LYS H H 1 7.91 0.02 . 1 . . . . 42 LYS H . 7342 1 131 . 1 1 20 20 LYS HA H 1 4.52 0.02 . 1 . . . . 42 LYS HA . 7342 1 132 . 1 1 20 20 LYS HB2 H 1 2.14 0.02 . 1 . . . . 42 LYS HB2 . 7342 1 133 . 1 1 20 20 LYS HB3 H 1 2.14 0.02 . 1 . . . . 42 LYS HB3 . 7342 1 134 . 1 1 20 20 LYS HD2 H 1 1.66 0.02 . 1 . . . . 42 LYS HD2 . 7342 1 135 . 1 1 20 20 LYS HD3 H 1 1.66 0.02 . 1 . . . . 42 LYS HD3 . 7342 1 136 . 1 1 20 20 LYS HE2 H 1 2.97 0.02 . 1 . . . . 42 LYS HE2 . 7342 1 137 . 1 1 20 20 LYS HE3 H 1 2.97 0.02 . 1 . . . . 42 LYS HE3 . 7342 1 138 . 1 1 20 20 LYS HG2 H 1 1.44 0.02 . 2 . . . . 42 LYS HG2 . 7342 1 139 . 1 1 20 20 LYS HG3 H 1 1.27 0.02 . 2 . . . . 42 LYS HG3 . 7342 1 140 . 1 1 20 20 LYS HZ1 H 1 7.56 0.02 . 1 . . . . 42 LYS HZ . 7342 1 141 . 1 1 20 20 LYS HZ2 H 1 7.56 0.02 . 1 . . . . 42 LYS HZ . 7342 1 142 . 1 1 20 20 LYS HZ3 H 1 7.56 0.02 . 1 . . . . 42 LYS HZ . 7342 1 143 . 1 1 21 21 CYS H H 1 7.58 0.02 . 1 . . . . 43 CYS H . 7342 1 144 . 1 1 21 21 CYS HA H 1 4.06 0.02 . 1 . . . . 43 CYS HA . 7342 1 145 . 1 1 21 21 CYS HB2 H 1 2.85 0.02 . 2 . . . . 43 CYS HB2 . 7342 1 146 . 1 1 21 21 CYS HB3 H 1 3.25 0.02 . 2 . . . . 43 CYS HB3 . 7342 1 147 . 1 1 22 22 PRO HA H 1 4.43 0.02 . 1 . . . . 44 PRO HA . 7342 1 148 . 1 1 22 22 PRO HB2 H 1 2.09 0.02 . 2 . . . . 44 PRO HB2 . 7342 1 149 . 1 1 22 22 PRO HB3 H 1 1.97 0.02 . 2 . . . . 44 PRO HB3 . 7342 1 150 . 1 1 22 22 PRO HD2 H 1 3.58 0.02 . 2 . . . . 44 PRO HD2 . 7342 1 151 . 1 1 22 22 PRO HD3 H 1 3.72 0.02 . 2 . . . . 44 PRO HD3 . 7342 1 152 . 1 1 22 22 PRO HG2 H 1 2.30 0.02 . 1 . . . . 44 PRO HG2 . 7342 1 153 . 1 1 22 22 PRO HG3 H 1 2.30 0.02 . 1 . . . . 44 PRO HG3 . 7342 1 154 . 1 1 23 23 GLU H H 1 8.69 0.02 . 1 . . . . 45 GLU H . 7342 1 155 . 1 1 23 23 GLU HA H 1 4.31 0.02 . 1 . . . . 45 GLU HA . 7342 1 156 . 1 1 23 23 GLU HB2 H 1 2.15 0.02 . 2 . . . . 45 GLU HB2 . 7342 1 157 . 1 1 23 23 GLU HB3 H 1 2.02 0.02 . 2 . . . . 45 GLU HB3 . 7342 1 158 . 1 1 23 23 GLU HG2 H 1 2.36 0.02 . 2 . . . . 45 GLU HG2 . 7342 1 159 . 1 1 23 23 GLU HG3 H 1 2.26 0.02 . 2 . . . . 45 GLU HG3 . 7342 1 160 . 1 1 24 24 ARG H H 1 8.01 0.02 . 1 . . . . 46 ARG H . 7342 1 161 . 1 1 24 24 ARG HA H 1 4.28 0.02 . 1 . . . . 46 ARG HA . 7342 1 162 . 1 1 24 24 ARG HB2 H 1 1.90 0.02 . 2 . . . . 46 ARG HB2 . 7342 1 163 . 1 1 24 24 ARG HB3 H 1 1.82 0.02 . 2 . . . . 46 ARG HB3 . 7342 1 164 . 1 1 24 24 ARG HD2 H 1 3.20 0.02 . 1 . . . . 46 ARG HD2 . 7342 1 165 . 1 1 24 24 ARG HD3 H 1 3.20 0.02 . 1 . . . . 46 ARG HD3 . 7342 1 166 . 1 1 24 24 ARG HE H 1 7.23 0.02 . 1 . . . . 46 ARG HE . 7342 1 167 . 1 1 24 24 ARG HG2 H 1 1.64 0.02 . 1 . . . . 46 ARG HG2 . 7342 1 168 . 1 1 24 24 ARG HG3 H 1 1.64 0.02 . 1 . . . . 46 ARG HG3 . 7342 1 169 . 1 1 25 25 GLN H H 1 8.35 0.02 . 1 . . . . 47 GLN H . 7342 1 170 . 1 1 25 25 GLN HA H 1 4.33 0.02 . 1 . . . . 47 GLN HA . 7342 1 171 . 1 1 25 25 GLN HB2 H 1 2.15 0.02 . 2 . . . . 47 GLN HB2 . 7342 1 172 . 1 1 25 25 GLN HB3 H 1 2.01 0.02 . 2 . . . . 47 GLN HB3 . 7342 1 173 . 1 1 25 25 GLN HE21 H 1 6.87 0.02 . 2 . . . . 47 GLN HE21 . 7342 1 174 . 1 1 25 25 GLN HE22 H 1 7.56 0.02 . 2 . . . . 47 GLN HE22 . 7342 1 175 . 1 1 25 25 GLN HG2 H 1 2.37 0.02 . 1 . . . . 47 GLN HG2 . 7342 1 176 . 1 1 25 25 GLN HG3 H 1 2.37 0.02 . 1 . . . . 47 GLN HG3 . 7342 1 177 . 1 1 26 26 ALA H H 1 8.65 0.02 . 1 . . . . 48 ALA H . 7342 1 178 . 1 1 26 26 ALA HA H 1 4.29 0.02 . 1 . . . . 48 ALA HA . 7342 1 179 . 1 1 26 26 ALA HB1 H 1 1.36 0.02 . 1 . . . . 48 ALA HB . 7342 1 180 . 1 1 26 26 ALA HB2 H 1 1.36 0.02 . 1 . . . . 48 ALA HB . 7342 1 181 . 1 1 26 26 ALA HB3 H 1 1.36 0.02 . 1 . . . . 48 ALA HB . 7342 1 182 . 1 1 27 27 GLY H H 1 7.98 0.02 . 1 . . . . 49 GLY H . 7342 1 183 . 1 1 27 27 GLY HA2 H 1 3.77 0.02 . 1 . . . . 49 GLY HA2 . 7342 1 184 . 1 1 27 27 GLY HA3 H 1 3.77 0.02 . 1 . . . . 49 GLY HA3 . 7342 1 stop_ save_