################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5832 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5832 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 GLY HA2 H 1 4.14 0.02 . 2 . . . . . . . . 5832 1 2 . 1 1 1 1 GLY HA3 H 1 3.72 0.02 . 2 . . . . . . . . 5832 1 3 . 1 1 2 2 CYS H H 1 8.60 0.02 . 1 . . . . . . . . 5832 1 4 . 1 1 2 2 CYS HA H 1 4.98 0.02 . 1 . . . . . . . . 5832 1 5 . 1 1 2 2 CYS HB2 H 1 3.10 0.02 . 2 . . . . . . . . 5832 1 6 . 1 1 2 2 CYS HB3 H 1 3.26 0.02 . 2 . . . . . . . . 5832 1 7 . 1 1 3 3 LYS H H 1 8.66 0.02 . 1 . . . . . . . . 5832 1 8 . 1 1 3 3 LYS HA H 1 4.38 0.02 . 1 . . . . . . . . 5832 1 9 . 1 1 3 3 LYS HB2 H 1 1.94 0.02 . 2 . . . . . . . . 5832 1 10 . 1 1 3 3 LYS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5832 1 11 . 1 1 3 3 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 5832 1 12 . 1 1 3 3 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 5832 1 13 . 1 1 3 3 LYS HD2 H 1 1.82 0.02 . 2 . . . . . . . . 5832 1 14 . 1 1 3 3 LYS HD3 H 1 1.57 0.02 . 2 . . . . . . . . 5832 1 15 . 1 1 3 3 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 5832 1 16 . 1 1 3 3 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 5832 1 17 . 1 1 3 3 LYS HZ1 H 1 7.44 0.02 . 2 . . . . . . . . 5832 1 18 . 1 1 3 3 LYS HZ2 H 1 7.44 0.02 . 2 . . . . . . . . 5832 1 19 . 1 1 3 3 LYS HZ3 H 1 7.44 0.02 . 2 . . . . . . . . 5832 1 20 . 1 1 4 4 GLY H H 1 8.44 0.02 . 1 . . . . . . . . 5832 1 21 . 1 1 4 4 GLY HA2 H 1 3.91 0.02 . 2 . . . . . . . . 5832 1 22 . 1 1 4 4 GLY HA3 H 1 3.49 0.02 . 2 . . . . . . . . 5832 1 23 . 1 1 5 5 PHE H H 1 7.83 0.02 . 1 . . . . . . . . 5832 1 24 . 1 1 5 5 PHE HA H 1 3.59 0.02 . 1 . . . . . . . . 5832 1 25 . 1 1 5 5 PHE HB2 H 1 2.98 0.02 . 2 . . . . . . . . 5832 1 26 . 1 1 5 5 PHE HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5832 1 27 . 1 1 5 5 PHE HD1 H 1 7.17 0.02 . 1 . . . . . . . . 5832 1 28 . 1 1 5 5 PHE HD2 H 1 7.17 0.02 . 1 . . . . . . . . 5832 1 29 . 1 1 5 5 PHE HE1 H 1 7.45 0.02 . 1 . . . . . . . . 5832 1 30 . 1 1 5 5 PHE HE2 H 1 7.45 0.02 . 1 . . . . . . . . 5832 1 31 . 1 1 6 6 GLY H H 1 8.53 0.02 . 1 . . . . . . . . 5832 1 32 . 1 1 6 6 GLY HA2 H 1 3.63 0.02 . 2 . . . . . . . . 5832 1 33 . 1 1 6 6 GLY HA3 H 1 2.75 0.02 . 2 . . . . . . . . 5832 1 34 . 1 1 7 7 ASP H H 1 7.99 0.02 . 1 . . . . . . . . 5832 1 35 . 1 1 7 7 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 5832 1 36 . 1 1 7 7 ASP HB2 H 1 2.85 0.02 . 2 . . . . . . . . 5832 1 37 . 1 1 7 7 ASP HB3 H 1 2.61 0.02 . 2 . . . . . . . . 5832 1 38 . 1 1 8 8 SER H H 1 8.63 0.02 . 1 . . . . . . . . 5832 1 39 . 1 1 8 8 SER HA H 1 4.83 0.02 . 1 . . . . . . . . 5832 1 40 . 1 1 8 8 SER HB2 H 1 3.96 0.02 . 1 . . . . . . . . 5832 1 41 . 1 1 8 8 SER HB3 H 1 3.96 0.02 . 1 . . . . . . . . 5832 1 42 . 1 1 9 9 CYS H H 1 8.12 0.02 . 1 . . . . . . . . 5832 1 43 . 1 1 9 9 CYS HA H 1 4.98 0.02 . 1 . . . . . . . . 5832 1 44 . 1 1 9 9 CYS HB2 H 1 3.29 0.02 . 2 . . . . . . . . 5832 1 45 . 1 1 9 9 CYS HB3 H 1 2.99 0.02 . 2 . . . . . . . . 5832 1 46 . 1 1 10 10 THR H H 1 9.03 0.02 . 1 . . . . . . . . 5832 1 47 . 1 1 10 10 THR HA H 1 4.63 0.02 . 1 . . . . . . . . 5832 1 48 . 1 1 10 10 THR HB H 1 3.81 0.02 . 1 . . . . . . . . 5832 1 49 . 1 1 10 10 THR HG21 H 1 1.19 0.02 . 1 . . . . . . . . 5832 1 50 . 1 1 10 10 THR HG22 H 1 1.19 0.02 . 1 . . . . . . . . 5832 1 51 . 1 1 10 10 THR HG23 H 1 1.19 0.02 . 1 . . . . . . . . 5832 1 52 . 1 1 11 11 PRO HA H 1 3.98 0.02 . 1 . . . . . . . . 5832 1 53 . 1 1 11 11 PRO HB2 H 1 2.11 0.02 . 2 . . . . . . . . 5832 1 54 . 1 1 11 11 PRO HB3 H 1 2.22 0.02 . 2 . . . . . . . . 5832 1 55 . 1 1 11 11 PRO HG2 H 1 1.92 0.02 . 2 . . . . . . . . 5832 1 56 . 1 1 11 11 PRO HG3 H 1 1.71 0.02 . 2 . . . . . . . . 5832 1 57 . 1 1 11 11 PRO HD2 H 1 4.07 0.02 . 2 . . . . . . . . 5832 1 58 . 1 1 11 11 PRO HD3 H 1 3.81 0.02 . 2 . . . . . . . . 5832 1 59 . 1 1 12 12 GLY H H 1 8.77 0.02 . 1 . . . . . . . . 5832 1 60 . 1 1 12 12 GLY HA2 H 1 4.34 0.02 . 2 . . . . . . . . 5832 1 61 . 1 1 12 12 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 5832 1 62 . 1 1 13 13 LYS H H 1 7.49 0.02 . 1 . . . . . . . . 5832 1 63 . 1 1 13 13 LYS HA H 1 4.55 0.02 . 1 . . . . . . . . 5832 1 64 . 1 1 13 13 LYS HB2 H 1 2.00 0.02 . 2 . . . . . . . . 5832 1 65 . 1 1 13 13 LYS HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5832 1 66 . 1 1 13 13 LYS HG2 H 1 1.42 0.02 . 2 . . . . . . . . 5832 1 67 . 1 1 13 13 LYS HG3 H 1 1.28 0.02 . 2 . . . . . . . . 5832 1 68 . 1 1 13 13 LYS HD2 H 1 1.62 0.02 . 1 . . . . . . . . 5832 1 69 . 1 1 13 13 LYS HD3 H 1 1.62 0.02 . 1 . . . . . . . . 5832 1 70 . 1 1 13 13 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 5832 1 71 . 1 1 13 13 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 5832 1 72 . 1 1 13 13 LYS HZ1 H 1 7.55 0.02 . 2 . . . . . . . . 5832 1 73 . 1 1 13 13 LYS HZ2 H 1 7.55 0.02 . 2 . . . . . . . . 5832 1 74 . 1 1 13 13 LYS HZ3 H 1 7.55 0.02 . 2 . . . . . . . . 5832 1 75 . 1 1 14 14 ASN H H 1 8.61 0.02 . 1 . . . . . . . . 5832 1 76 . 1 1 14 14 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 5832 1 77 . 1 1 14 14 ASN HB2 H 1 3.03 0.02 . 2 . . . . . . . . 5832 1 78 . 1 1 14 14 ASN HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5832 1 79 . 1 1 14 14 ASN HD21 H 1 7.66 0.02 . 1 . . . . . . . . 5832 1 80 . 1 1 14 14 ASN HD22 H 1 7.66 0.02 . 1 . . . . . . . . 5832 1 81 . 1 1 15 15 GLU H H 1 8.70 0.02 . 1 . . . . . . . . 5832 1 82 . 1 1 15 15 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 5832 1 83 . 1 1 15 15 GLU HB2 H 1 2.23 0.02 . 2 . . . . . . . . 5832 1 84 . 1 1 15 15 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5832 1 85 . 1 1 15 15 GLU HG2 H 1 2.22 0.02 . 1 . . . . . . . . 5832 1 86 . 1 1 15 15 GLU HG3 H 1 2.22 0.02 . 1 . . . . . . . . 5832 1 87 . 1 1 16 16 CYS H H 1 8.48 0.02 . 1 . . . . . . . . 5832 1 88 . 1 1 16 16 CYS HA H 1 5.07 0.02 . 1 . . . . . . . . 5832 1 89 . 1 1 16 16 CYS HB2 H 1 3.13 0.02 . 2 . . . . . . . . 5832 1 90 . 1 1 16 16 CYS HB3 H 1 2.88 0.02 . 2 . . . . . . . . 5832 1 91 . 1 1 17 17 CYS H H 1 9.89 0.02 . 1 . . . . . . . . 5832 1 92 . 1 1 17 17 CYS HA H 1 4.84 0.02 . 1 . . . . . . . . 5832 1 93 . 1 1 17 17 CYS HB2 H 1 3.54 0.02 . 2 . . . . . . . . 5832 1 94 . 1 1 17 17 CYS HB3 H 1 2.52 0.02 . 2 . . . . . . . . 5832 1 95 . 1 1 18 18 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 5832 1 96 . 1 1 18 18 PRO HB2 H 1 2.38 0.02 . 2 . . . . . . . . 5832 1 97 . 1 1 18 18 PRO HB3 H 1 2.14 0.02 . 2 . . . . . . . . 5832 1 98 . 1 1 18 18 PRO HG2 H 1 2.08 0.02 . 2 . . . . . . . . 5832 1 99 . 1 1 18 18 PRO HG3 H 1 1.82 0.02 . 2 . . . . . . . . 5832 1 100 . 1 1 18 18 PRO HD2 H 1 3.98 0.02 . 2 . . . . . . . . 5832 1 101 . 1 1 18 18 PRO HD3 H 1 3.69 0.02 . 2 . . . . . . . . 5832 1 102 . 1 1 19 19 ASN H H 1 8.63 0.02 . 1 . . . . . . . . 5832 1 103 . 1 1 19 19 ASN HA H 1 4.28 0.02 . 1 . . . . . . . . 5832 1 104 . 1 1 19 19 ASN HB2 H 1 2.88 0.02 . 2 . . . . . . . . 5832 1 105 . 1 1 19 19 ASN HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5832 1 106 . 1 1 19 19 ASN HD21 H 1 7.26 0.02 . 2 . . . . . . . . 5832 1 107 . 1 1 19 19 ASN HD22 H 1 6.80 0.02 . 2 . . . . . . . . 5832 1 108 . 1 1 20 20 TYR H H 1 8.51 0.02 . 1 . . . . . . . . 5832 1 109 . 1 1 20 20 TYR HA H 1 5.34 0.02 . 1 . . . . . . . . 5832 1 110 . 1 1 20 20 TYR HB2 H 1 3.23 0.02 . 2 . . . . . . . . 5832 1 111 . 1 1 20 20 TYR HB3 H 1 2.92 0.02 . 2 . . . . . . . . 5832 1 112 . 1 1 20 20 TYR HD1 H 1 6.90 0.02 . 1 . . . . . . . . 5832 1 113 . 1 1 20 20 TYR HD2 H 1 6.90 0.02 . 1 . . . . . . . . 5832 1 114 . 1 1 20 20 TYR HE1 H 1 6.82 0.02 . 1 . . . . . . . . 5832 1 115 . 1 1 20 20 TYR HE2 H 1 6.82 0.02 . 1 . . . . . . . . 5832 1 116 . 1 1 21 21 ALA H H 1 9.36 0.02 . 1 . . . . . . . . 5832 1 117 . 1 1 21 21 ALA HA H 1 4.69 0.02 . 1 . . . . . . . . 5832 1 118 . 1 1 21 21 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 5832 1 119 . 1 1 21 21 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 5832 1 120 . 1 1 21 21 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 5832 1 121 . 1 1 22 22 CYS H H 1 8.91 0.02 . 1 . . . . . . . . 5832 1 122 . 1 1 22 22 CYS HA H 1 4.72 0.02 . 1 . . . . . . . . 5832 1 123 . 1 1 22 22 CYS HB2 H 1 3.12 0.02 . 2 . . . . . . . . 5832 1 124 . 1 1 22 22 CYS HB3 H 1 3.00 0.02 . 2 . . . . . . . . 5832 1 125 . 1 1 23 23 SER H H 1 8.28 0.02 . 1 . . . . . . . . 5832 1 126 . 1 1 23 23 SER HA H 1 4.57 0.02 . 1 . . . . . . . . 5832 1 127 . 1 1 23 23 SER HB2 H 1 4.15 0.02 . 2 . . . . . . . . 5832 1 128 . 1 1 23 23 SER HB3 H 1 3.83 0.02 . 2 . . . . . . . . 5832 1 129 . 1 1 24 24 SER H H 1 9.05 0.02 . 1 . . . . . . . . 5832 1 130 . 1 1 24 24 SER HA H 1 4.04 0.02 . 1 . . . . . . . . 5832 1 131 . 1 1 24 24 SER HB2 H 1 3.92 0.02 . 1 . . . . . . . . 5832 1 132 . 1 1 24 24 SER HB3 H 1 3.92 0.02 . 1 . . . . . . . . 5832 1 133 . 1 1 25 25 LYS H H 1 7.75 0.02 . 1 . . . . . . . . 5832 1 134 . 1 1 25 25 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 5832 1 135 . 1 1 25 25 LYS HB2 H 1 1.52 0.02 . 2 . . . . . . . . 5832 1 136 . 1 1 25 25 LYS HB3 H 1 1.36 0.02 . 2 . . . . . . . . 5832 1 137 . 1 1 25 25 LYS HG2 H 1 1.15 0.02 . 2 . . . . . . . . 5832 1 138 . 1 1 25 25 LYS HG3 H 1 1.02 0.02 . 2 . . . . . . . . 5832 1 139 . 1 1 25 25 LYS HD2 H 1 1.51 0.02 . 1 . . . . . . . . 5832 1 140 . 1 1 25 25 LYS HD3 H 1 1.51 0.02 . 1 . . . . . . . . 5832 1 141 . 1 1 25 25 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 5832 1 142 . 1 1 25 25 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 5832 1 143 . 1 1 25 25 LYS HZ1 H 1 7.50 0.02 . 1 . . . . . . . . 5832 1 144 . 1 1 25 25 LYS HZ2 H 1 7.50 0.02 . 1 . . . . . . . . 5832 1 145 . 1 1 25 25 LYS HZ3 H 1 7.50 0.02 . 1 . . . . . . . . 5832 1 146 . 1 1 26 26 HIS H H 1 7.50 0.02 . 1 . . . . . . . . 5832 1 147 . 1 1 26 26 HIS HA H 1 4.38 0.02 . 1 . . . . . . . . 5832 1 148 . 1 1 26 26 HIS HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5832 1 149 . 1 1 26 26 HIS HB3 H 1 1.76 0.02 . 2 . . . . . . . . 5832 1 150 . 1 1 26 26 HIS HD1 H 1 6.90 0.02 . 1 . . . . . . . . 5832 1 151 . 1 1 26 26 HIS HE1 H 1 7.60 0.02 . 1 . . . . . . . . 5832 1 152 . 1 1 27 27 LYS H H 1 8.32 0.02 . 1 . . . . . . . . 5832 1 153 . 1 1 27 27 LYS HA H 1 4.04 0.02 . 1 . . . . . . . . 5832 1 154 . 1 1 27 27 LYS HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5832 1 155 . 1 1 27 27 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5832 1 156 . 1 1 27 27 LYS HG2 H 1 1.65 0.02 . 1 . . . . . . . . 5832 1 157 . 1 1 27 27 LYS HG3 H 1 1.65 0.02 . 1 . . . . . . . . 5832 1 158 . 1 1 27 27 LYS HD2 H 1 1.21 0.02 . 2 . . . . . . . . 5832 1 159 . 1 1 27 27 LYS HD3 H 1 1.27 0.02 . 2 . . . . . . . . 5832 1 160 . 1 1 27 27 LYS HE2 H 1 2.35 0.02 . 2 . . . . . . . . 5832 1 161 . 1 1 27 27 LYS HE3 H 1 2.99 0.02 . 2 . . . . . . . . 5832 1 162 . 1 1 27 27 LYS HZ1 H 1 7.55 0.02 . 1 . . . . . . . . 5832 1 163 . 1 1 27 27 LYS HZ2 H 1 7.55 0.02 . 1 . . . . . . . . 5832 1 164 . 1 1 27 27 LYS HZ3 H 1 7.55 0.02 . 1 . . . . . . . . 5832 1 165 . 1 1 28 28 TRP H H 1 7.39 0.02 . 1 . . . . . . . . 5832 1 166 . 1 1 28 28 TRP HA H 1 5.56 0.02 . 1 . . . . . . . . 5832 1 167 . 1 1 28 28 TRP HB2 H 1 3.06 0.02 . 2 . . . . . . . . 5832 1 168 . 1 1 28 28 TRP HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5832 1 169 . 1 1 28 28 TRP HD1 H 1 6.95 0.02 . 1 . . . . . . . . 5832 1 170 . 1 1 28 28 TRP HE1 H 1 10.17 0.02 . 1 . . . . . . . . 5832 1 171 . 1 1 28 28 TRP HE3 H 1 7.04 0.02 . 1 . . . . . . . . 5832 1 172 . 1 1 28 28 TRP HZ2 H 1 7.35 0.02 . 1 . . . . . . . . 5832 1 173 . 1 1 28 28 TRP HZ3 H 1 7.18 0.02 . 1 . . . . . . . . 5832 1 174 . 1 1 28 28 TRP HH2 H 1 7.46 0.02 . 1 . . . . . . . . 5832 1 175 . 1 1 29 29 CYS H H 1 8.58 0.02 . 1 . . . . . . . . 5832 1 176 . 1 1 29 29 CYS HA H 1 4.99 0.02 . 1 . . . . . . . . 5832 1 177 . 1 1 29 29 CYS HB2 H 1 3.27 0.02 . 2 . . . . . . . . 5832 1 178 . 1 1 29 29 CYS HB3 H 1 2.57 0.02 . 2 . . . . . . . . 5832 1 179 . 1 1 30 30 LYS H H 1 9.28 0.02 . 1 . . . . . . . . 5832 1 180 . 1 1 30 30 LYS HA H 1 5.05 0.02 . 1 . . . . . . . . 5832 1 181 . 1 1 30 30 LYS HB2 H 1 2.03 0.02 . 2 . . . . . . . . 5832 1 182 . 1 1 30 30 LYS HB3 H 1 1.98 0.02 . 2 . . . . . . . . 5832 1 183 . 1 1 30 30 LYS HG2 H 1 1.49 0.02 . 2 . . . . . . . . 5832 1 184 . 1 1 30 30 LYS HG3 H 1 1.40 0.02 . 2 . . . . . . . . 5832 1 185 . 1 1 30 30 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 5832 1 186 . 1 1 30 30 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 5832 1 187 . 1 1 30 30 LYS HE2 H 1 2.74 0.02 . 2 . . . . . . . . 5832 1 188 . 1 1 30 30 LYS HE3 H 1 2.83 0.02 . 2 . . . . . . . . 5832 1 189 . 1 1 30 30 LYS HZ1 H 1 7.57 0.02 . 1 . . . . . . . . 5832 1 190 . 1 1 30 30 LYS HZ2 H 1 7.57 0.02 . 1 . . . . . . . . 5832 1 191 . 1 1 30 30 LYS HZ3 H 1 7.57 0.02 . 1 . . . . . . . . 5832 1 192 . 1 1 31 31 VAL H H 1 8.72 0.02 . 1 . . . . . . . . 5832 1 193 . 1 1 31 31 VAL HA H 1 3.99 0.02 . 1 . . . . . . . . 5832 1 194 . 1 1 31 31 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 5832 1 195 . 1 1 31 31 VAL HG11 H 1 1.01 0.02 . 2 . . . . . . . . 5832 1 196 . 1 1 31 31 VAL HG12 H 1 1.01 0.02 . 2 . . . . . . . . 5832 1 197 . 1 1 31 31 VAL HG13 H 1 1.01 0.02 . 2 . . . . . . . . 5832 1 198 . 1 1 31 31 VAL HG21 H 1 0.91 0.02 . 2 . . . . . . . . 5832 1 199 . 1 1 31 31 VAL HG22 H 1 0.91 0.02 . 2 . . . . . . . . 5832 1 200 . 1 1 31 31 VAL HG23 H 1 0.91 0.02 . 2 . . . . . . . . 5832 1 201 . 1 1 32 32 TYR H H 1 8.54 0.02 . 1 . . . . . . . . 5832 1 202 . 1 1 32 32 TYR HA H 1 4.58 0.02 . 1 . . . . . . . . 5832 1 203 . 1 1 32 32 TYR HB2 H 1 2.83 0.02 . 2 . . . . . . . . 5832 1 204 . 1 1 32 32 TYR HB3 H 1 2.75 0.02 . 2 . . . . . . . . 5832 1 205 . 1 1 32 32 TYR HD1 H 1 7.08 0.02 . 1 . . . . . . . . 5832 1 206 . 1 1 32 32 TYR HD2 H 1 7.08 0.02 . 1 . . . . . . . . 5832 1 207 . 1 1 32 32 TYR HE1 H 1 6.80 0.02 . 1 . . . . . . . . 5832 1 208 . 1 1 32 32 TYR HE2 H 1 6.80 0.02 . 1 . . . . . . . . 5832 1 209 . 1 1 33 33 NLW H H 1 8.12 0.02 . 1 . . . . . . . . 5832 1 210 . 1 1 33 33 NLW HA H 1 4.20 0.02 . 1 . . . . . . . . 5832 1 211 . 1 1 33 33 NLW HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5832 1 212 . 1 1 33 33 NLW HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5832 1 213 . 1 1 33 33 NLW HG H 1 1.43 0.02 . 1 . . . . . . . . 5832 1 214 . 1 1 33 33 NLW HD1 H 1 0.77 0.02 . 2 . . . . . . . . 5832 1 215 . 1 1 33 33 NLW HD2 H 1 0.88 0.02 . 2 . . . . . . . . 5832 1 216 . 1 1 33 33 NLW HT1 H 1 7.18 0.02 . 2 . . . . . . . . 5832 1 217 . 1 1 33 33 NLW HT2 H 1 8.60 0.02 . 2 . . . . . . . . 5832 1 stop_ save_