################################### # 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4859 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 . 4859 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 GLN HA H 1 4.40 0.01 . 1 . . . . . . . . 4859 1 2 . 1 1 1 1 GLN HB2 H 1 2.42 0.01 . 1 . . . . . . . . 4859 1 3 . 1 1 1 1 GLN HB3 H 1 2.56 0.01 . 1 . . . . . . . . 4859 1 4 . 1 1 1 1 GLN HG3 H 1 1.95 0.01 . 1 . . . . . . . . 4859 1 5 . 1 1 1 1 GLN HG2 H 1 2.06 0.01 . 1 . . . . . . . . 4859 1 6 . 1 1 2 2 ASN H H 1 8.75 0.01 . 1 . . . . . . . . 4859 1 7 . 1 1 2 2 ASN HA H 1 4.77 0.01 . 1 . . . . . . . . 4859 1 8 . 1 1 2 2 ASN HB2 H 1 2.72 0.01 . 1 . . . . . . . . 4859 1 9 . 1 1 2 2 ASN HB3 H 1 2.88 0.01 . 1 . . . . . . . . 4859 1 10 . 1 1 2 2 ASN HD22 H 1 7.06 0.01 . 1 . . . . . . . . 4859 1 11 . 1 1 2 2 ASN HD21 H 1 7.74 0.01 . 1 . . . . . . . . 4859 1 12 . 1 1 3 3 GLU H H 1 8.82 0.01 . 1 . . . . . . . . 4859 1 13 . 1 1 3 3 GLU HA H 1 4.28 0.01 . 1 . . . . . . . . 4859 1 14 . 1 1 3 3 GLU HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4859 1 15 . 1 1 3 3 GLU HB3 H 1 2.06 0.01 . 1 . . . . . . . . 4859 1 16 . 1 1 3 3 GLU HG2 H 1 2.30 0.01 . 1 . . . . . . . . 4859 1 17 . 1 1 3 3 GLU HG3 H 1 2.30 0.01 . 1 . . . . . . . . 4859 1 18 . 1 1 4 4 GLY H H 1 8.43 0.01 . 1 . . . . . . . . 4859 1 19 . 1 1 4 4 GLY HA2 H 1 3.66 0.01 . 1 . . . . . . . . 4859 1 20 . 1 1 4 4 GLY HA3 H 1 3.84 0.01 . 1 . . . . . . . . 4859 1 21 . 1 1 5 5 HIS H H 1 8.32 0.01 . 1 . . . . . . . . 4859 1 22 . 1 1 5 5 HIS HA H 1 4.99 0.01 . 1 . . . . . . . . 4859 1 23 . 1 1 5 5 HIS HB2 H 1 3.31 0.01 . 1 . . . . . . . . 4859 1 24 . 1 1 5 5 HIS HB3 H 1 3.31 0.01 . 1 . . . . . . . . 4859 1 25 . 1 1 5 5 HIS HD1 H 1 7.30 0.01 . 1 . . . . . . . . 4859 1 26 . 1 1 5 5 HIS HE1 H 1 8.70 0.01 . 1 . . . . . . . . 4859 1 27 . 1 1 6 6 GLU H H 1 8.82 0.01 . 1 . . . . . . . . 4859 1 28 . 1 1 6 6 GLU HA H 1 4.30 0.01 . 1 . . . . . . . . 4859 1 29 . 1 1 6 6 GLU HB2 H 1 2.06 0.01 . 1 . . . . . . . . 4859 1 30 . 1 1 6 6 GLU HB3 H 1 2.06 0.01 . 1 . . . . . . . . 4859 1 31 . 1 1 6 6 GLU HG2 H 1 2.31 0.01 . 1 . . . . . . . . 4859 1 32 . 1 1 6 6 GLU HG3 H 1 2.40 0.01 . 1 . . . . . . . . 4859 1 33 . 1 1 7 7 CYS H H 1 8.57 0.01 . 1 . . . . . . . . 4859 1 34 . 1 1 7 7 CYS HA H 1 4.27 0.01 . 1 . . . . . . . . 4859 1 35 . 1 1 7 7 CYS HB3 H 1 3.16 0.01 . 1 . . . . . . . . 4859 1 36 . 1 1 7 7 CYS HB2 H 1 3.96 0.01 . 1 . . . . . . . . 4859 1 37 . 1 1 8 8 GLN H H 1 9.61 0.01 . 1 . . . . . . . . 4859 1 38 . 1 1 8 8 GLN HA H 1 4.86 0.01 . 1 . . . . . . . . 4859 1 39 . 1 1 8 8 GLN HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4859 1 40 . 1 1 8 8 GLN HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4859 1 41 . 1 1 8 8 GLN HG2 H 1 2.38 0.01 . 1 . . . . . . . . 4859 1 42 . 1 1 8 8 GLN HG3 H 1 2.49 0.01 . 1 . . . . . . . . 4859 1 43 . 1 1 8 8 GLN HE22 H 1 6.91 0.01 . 1 . . . . . . . . 4859 1 44 . 1 1 8 8 GLN HE21 H 1 7.56 0.01 . 1 . . . . . . . . 4859 1 45 . 1 1 9 9 CYS H H 1 8.20 0.01 . 1 . . . . . . . . 4859 1 46 . 1 1 9 9 CYS HA H 1 4.10 0.01 . 1 . . . . . . . . 4859 1 47 . 1 1 9 9 CYS HB2 H 1 2.74 0.01 . 1 . . . . . . . . 4859 1 48 . 1 1 9 9 CYS HB3 H 1 4.45 0.01 . 1 . . . . . . . . 4859 1 49 . 1 1 10 10 GLN H H 1 7.83 0.01 . 1 . . . . . . . . 4859 1 50 . 1 1 10 10 GLN HA H 1 4.61 0.01 . 1 . . . . . . . . 4859 1 51 . 1 1 10 10 GLN HB2 H 1 1.61 0.01 . 1 . . . . . . . . 4859 1 52 . 1 1 10 10 GLN HB3 H 1 2.52 0.01 . 1 . . . . . . . . 4859 1 53 . 1 1 10 10 GLN HG2 H 1 2.33 0.01 . 1 . . . . . . . . 4859 1 54 . 1 1 10 10 GLN HG3 H 1 2.41 0.01 . 1 . . . . . . . . 4859 1 55 . 1 1 10 10 GLN HE22 H 1 6.96 0.01 . 1 . . . . . . . . 4859 1 56 . 1 1 10 10 GLN HE21 H 1 7.34 0.01 . 1 . . . . . . . . 4859 1 57 . 1 1 11 11 CYS H H 1 8.12 0.01 . 1 . . . . . . . . 4859 1 58 . 1 1 11 11 CYS HA H 1 4.27 0.01 . 1 . . . . . . . . 4859 1 59 . 1 1 11 11 CYS HB2 H 1 2.88 0.01 . 1 . . . . . . . . 4859 1 60 . 1 1 11 11 CYS HB3 H 1 3.82 0.01 . 1 . . . . . . . . 4859 1 61 . 1 1 12 12 GLY H H 1 8.80 0.01 . 1 . . . . . . . . 4859 1 62 . 1 1 12 12 GLY HA2 H 1 3.72 0.01 . 1 . . . . . . . . 4859 1 63 . 1 1 12 12 GLY HA3 H 1 4.00 0.01 . 1 . . . . . . . . 4859 1 64 . 1 1 13 13 SER H H 1 10.44 0.01 . 1 . . . . . . . . 4859 1 65 . 1 1 13 13 SER HA H 1 4.13 0.01 . 1 . . . . . . . . 4859 1 66 . 1 1 13 13 SER HB2 H 1 3.92 0.01 . 1 . . . . . . . . 4859 1 67 . 1 1 13 13 SER HB3 H 1 3.92 0.01 . 1 . . . . . . . . 4859 1 68 . 1 1 14 14 CYS H H 1 7.21 0.01 . 1 . . . . . . . . 4859 1 69 . 1 1 14 14 CYS HA H 1 4.30 0.01 . 1 . . . . . . . . 4859 1 70 . 1 1 14 14 CYS HB3 H 1 3.22 0.01 . 1 . . . . . . . . 4859 1 71 . 1 1 14 14 CYS HB2 H 1 3.68 0.01 . 1 . . . . . . . . 4859 1 72 . 1 1 15 15 LYS H H 1 8.06 0.01 . 1 . . . . . . . . 4859 1 73 . 1 1 15 15 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 4859 1 74 . 1 1 15 15 LYS HB3 H 1 1.60 0.01 . 1 . . . . . . . . 4859 1 75 . 1 1 15 15 LYS HB2 H 1 1.68 0.01 . 1 . . . . . . . . 4859 1 76 . 1 1 15 15 LYS HG2 H 1 1.38 0.01 . 1 . . . . . . . . 4859 1 77 . 1 1 15 15 LYS HG3 H 1 1.38 0.01 . 1 . . . . . . . . 4859 1 78 . 1 1 15 15 LYS HE2 H 1 2.96 0.01 . 1 . . . . . . . . 4859 1 79 . 1 1 15 15 LYS HE3 H 1 2.96 0.01 . 1 . . . . . . . . 4859 1 80 . 1 1 16 16 ASN HA H 1 4.78 0.01 . 1 . . . . . . . . 4859 1 81 . 1 1 16 16 ASN HB3 H 1 2.78 0.01 . 1 . . . . . . . . 4859 1 82 . 1 1 16 16 ASN HB2 H 1 3.03 0.01 . 1 . . . . . . . . 4859 1 83 . 1 1 16 16 ASN HD22 H 1 7.06 0.01 . 1 . . . . . . . . 4859 1 84 . 1 1 16 16 ASN HD21 H 1 7.82 0.01 . 1 . . . . . . . . 4859 1 85 . 1 1 17 17 ASN H H 1 7.59 0.01 . 1 . . . . . . . . 4859 1 86 . 1 1 17 17 ASN HA H 1 4.79 0.01 . 1 . . . . . . . . 4859 1 87 . 1 1 17 17 ASN HB2 H 1 2.71 0.01 . 1 . . . . . . . . 4859 1 88 . 1 1 17 17 ASN HB3 H 1 3.79 0.01 . 1 . . . . . . . . 4859 1 89 . 1 1 17 17 ASN HD22 H 1 7.21 0.01 . 1 . . . . . . . . 4859 1 90 . 1 1 17 17 ASN HD21 H 1 7.43 0.01 . 1 . . . . . . . . 4859 1 91 . 1 1 18 18 GLU H H 1 9.44 0.01 . 1 . . . . . . . . 4859 1 92 . 1 1 18 18 GLU HA H 1 4.07 0.01 . 1 . . . . . . . . 4859 1 93 . 1 1 18 18 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 4859 1 94 . 1 1 18 18 GLU HB3 H 1 2.10 0.01 . 1 . . . . . . . . 4859 1 95 . 1 1 18 18 GLU HG2 H 1 2.32 0.01 . 1 . . . . . . . . 4859 1 96 . 1 1 18 18 GLU HG3 H 1 2.39 0.01 . 1 . . . . . . . . 4859 1 97 . 1 1 19 19 GLN H H 1 8.35 0.01 . 1 . . . . . . . . 4859 1 98 . 1 1 19 19 GLN HA H 1 4.16 0.01 . 1 . . . . . . . . 4859 1 99 . 1 1 19 19 GLN HB2 H 1 2.19 0.01 . 1 . . . . . . . . 4859 1 100 . 1 1 19 19 GLN HB3 H 1 2.19 0.01 . 1 . . . . . . . . 4859 1 101 . 1 1 19 19 GLN HG2 H 1 2.47 0.01 . 1 . . . . . . . . 4859 1 102 . 1 1 19 19 GLN HG3 H 1 2.47 0.01 . 1 . . . . . . . . 4859 1 103 . 1 1 19 19 GLN HE22 H 1 6.95 0.01 . 1 . . . . . . . . 4859 1 104 . 1 1 19 19 GLN HE21 H 1 7.68 0.01 . 1 . . . . . . . . 4859 1 105 . 1 1 20 20 CYS H H 1 7.38 0.01 . 1 . . . . . . . . 4859 1 106 . 1 1 20 20 CYS HA H 1 5.20 0.01 . 1 . . . . . . . . 4859 1 107 . 1 1 20 20 CYS HB3 H 1 2.67 0.01 . 1 . . . . . . . . 4859 1 108 . 1 1 20 20 CYS HB2 H 1 3.32 0.01 . 1 . . . . . . . . 4859 1 109 . 1 1 21 21 GLN H H 1 7.15 0.01 . 1 . . . . . . . . 4859 1 110 . 1 1 21 21 GLN HA H 1 4.15 0.01 . 1 . . . . . . . . 4859 1 111 . 1 1 21 21 GLN HB2 H 1 2.13 0.01 . 1 . . . . . . . . 4859 1 112 . 1 1 21 21 GLN HB3 H 1 2.18 0.01 . 1 . . . . . . . . 4859 1 113 . 1 1 21 21 GLN HG3 H 1 2.47 0.01 . 1 . . . . . . . . 4859 1 114 . 1 1 21 21 GLN HG2 H 1 2.68 0.01 . 1 . . . . . . . . 4859 1 115 . 1 1 21 21 GLN HE22 H 1 6.70 0.01 . 1 . . . . . . . . 4859 1 116 . 1 1 21 21 GLN HE21 H 1 7.93 0.01 . 1 . . . . . . . . 4859 1 117 . 1 1 22 22 LYS H H 1 8.44 0.01 . 1 . . . . . . . . 4859 1 118 . 1 1 22 22 LYS HA H 1 4.46 0.01 . 1 . . . . . . . . 4859 1 119 . 1 1 22 22 LYS HB2 H 1 1.65 0.01 . 1 . . . . . . . . 4859 1 120 . 1 1 22 22 LYS HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4859 1 121 . 1 1 22 22 LYS HG3 H 1 1.40 0.01 . 1 . . . . . . . . 4859 1 122 . 1 1 22 22 LYS HG2 H 1 1.44 0.01 . 1 . . . . . . . . 4859 1 123 . 1 1 22 22 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 4859 1 124 . 1 1 22 22 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 4859 1 125 . 1 1 23 23 SER H H 1 7.13 0.01 . 1 . . . . . . . . 4859 1 126 . 1 1 23 23 SER HA H 1 4.25 0.01 . 1 . . . . . . . . 4859 1 127 . 1 1 23 23 SER HB2 H 1 3.65 0.01 . 1 . . . . . . . . 4859 1 128 . 1 1 23 23 SER HB3 H 1 3.65 0.01 . 1 . . . . . . . . 4859 1 129 . 1 1 24 24 CYS H H 1 8.64 0.01 . 1 . . . . . . . . 4859 1 130 . 1 1 24 24 CYS HA H 1 4.55 0.01 . 1 . . . . . . . . 4859 1 131 . 1 1 24 24 CYS HB3 H 1 2.73 0.01 . 1 . . . . . . . . 4859 1 132 . 1 1 24 24 CYS HB2 H 1 4.01 0.01 . 1 . . . . . . . . 4859 1 133 . 1 1 25 25 SER H H 1 8.43 0.01 . 1 . . . . . . . . 4859 1 134 . 1 1 25 25 SER HA H 1 4.73 0.01 . 1 . . . . . . . . 4859 1 135 . 1 1 25 25 SER HB3 H 1 3.80 0.01 . 1 . . . . . . . . 4859 1 136 . 1 1 25 25 SER HB2 H 1 4.18 0.01 . 1 . . . . . . . . 4859 1 137 . 1 1 26 26 CYS H H 1 9.39 0.01 . 1 . . . . . . . . 4859 1 138 . 1 1 26 26 CYS HA H 1 4.24 0.01 . 1 . . . . . . . . 4859 1 139 . 1 1 26 26 CYS HB2 H 1 2.99 0.01 . 1 . . . . . . . . 4859 1 140 . 1 1 26 26 CYS HB3 H 1 3.07 0.01 . 1 . . . . . . . . 4859 1 141 . 1 1 27 27 PRO HA H 1 4.65 0.01 . 1 . . . . . . . . 4859 1 142 . 1 1 27 27 PRO HG2 H 1 1.93 0.01 . 1 . . . . . . . . 4859 1 143 . 1 1 27 27 PRO HB3 H 1 2.32 0.01 . 1 . . . . . . . . 4859 1 144 . 1 1 27 27 PRO HB2 H 1 2.07 0.01 . 1 . . . . . . . . 4859 1 145 . 1 1 27 27 PRO HG3 H 1 2.16 0.01 . 1 . . . . . . . . 4859 1 146 . 1 1 27 27 PRO HD2 H 1 3.53 0.01 . 1 . . . . . . . . 4859 1 147 . 1 1 27 27 PRO HD3 H 1 3.85 0.01 . 1 . . . . . . . . 4859 1 148 . 1 1 28 28 THR H H 1 8.59 0.01 . 1 . . . . . . . . 4859 1 149 . 1 1 28 28 THR HA H 1 3.88 0.01 . 1 . . . . . . . . 4859 1 150 . 1 1 28 28 THR HB H 1 3.98 0.01 . 1 . . . . . . . . 4859 1 151 . 1 1 28 28 THR HG21 H 1 1.21 0.01 . 1 . . . . . . . . 4859 1 152 . 1 1 28 28 THR HG22 H 1 1.21 0.01 . 1 . . . . . . . . 4859 1 153 . 1 1 28 28 THR HG23 H 1 1.21 0.01 . 1 . . . . . . . . 4859 1 154 . 1 1 29 29 GLY H H 1 9.10 0.01 . 1 . . . . . . . . 4859 1 155 . 1 1 29 29 GLY HA2 H 1 3.66 0.01 . 1 . . . . . . . . 4859 1 156 . 1 1 29 29 GLY HA3 H 1 3.97 0.01 . 1 . . . . . . . . 4859 1 157 . 1 1 30 30 CYS H H 1 7.53 0.01 . 1 . . . . . . . . 4859 1 158 . 1 1 30 30 CYS HA H 1 4.39 0.01 . 1 . . . . . . . . 4859 1 159 . 1 1 30 30 CYS HB2 H 1 2.92 0.01 . 1 . . . . . . . . 4859 1 160 . 1 1 30 30 CYS HB3 H 1 4.06 0.01 . 1 . . . . . . . . 4859 1 161 . 1 1 31 31 ASN H H 1 8.37 0.01 . 1 . . . . . . . . 4859 1 162 . 1 1 31 31 ASN HA H 1 4.96 0.01 . 1 . . . . . . . . 4859 1 163 . 1 1 31 31 ASN HB2 H 1 2.79 0.01 . 1 . . . . . . . . 4859 1 164 . 1 1 31 31 ASN HB3 H 1 2.99 0.01 . 1 . . . . . . . . 4859 1 165 . 1 1 31 31 ASN HD22 H 1 6.89 0.01 . 1 . . . . . . . . 4859 1 166 . 1 1 31 31 ASN HD21 H 1 7.50 0.01 . 1 . . . . . . . . 4859 1 167 . 1 1 32 32 SER H H 1 8.03 0.01 . 1 . . . . . . . . 4859 1 168 . 1 1 32 32 SER HA H 1 4.88 0.01 . 1 . . . . . . . . 4859 1 169 . 1 1 32 32 SER HB2 H 1 3.82 0.01 . 1 . . . . . . . . 4859 1 170 . 1 1 32 32 SER HB3 H 1 3.92 0.01 . 1 . . . . . . . . 4859 1 171 . 1 1 33 33 ASP H H 1 9.09 0.01 . 1 . . . . . . . . 4859 1 172 . 1 1 33 33 ASP HA H 1 4.47 0.01 . 1 . . . . . . . . 4859 1 173 . 1 1 33 33 ASP HB2 H 1 2.59 0.01 . 1 . . . . . . . . 4859 1 174 . 1 1 33 33 ASP HB3 H 1 2.78 0.01 . 1 . . . . . . . . 4859 1 175 . 1 1 34 34 ASP H H 1 8.49 0.01 . 1 . . . . . . . . 4859 1 176 . 1 1 34 34 ASP HA H 1 4.30 0.01 . 1 . . . . . . . . 4859 1 177 . 1 1 34 34 ASP HB2 H 1 2.66 0.01 . 1 . . . . . . . . 4859 1 178 . 1 1 34 34 ASP HB3 H 1 2.72 0.01 . 1 . . . . . . . . 4859 1 179 . 1 1 35 35 LYS H H 1 7.60 0.01 . 1 . . . . . . . . 4859 1 180 . 1 1 35 35 LYS HA H 1 4.45 0.01 . 1 . . . . . . . . 4859 1 181 . 1 1 35 35 LYS HB2 H 1 1.68 0.01 . 1 . . . . . . . . 4859 1 182 . 1 1 35 35 LYS HB3 H 1 2.07 0.01 . 1 . . . . . . . . 4859 1 183 . 1 1 35 35 LYS HG2 H 1 1.32 0.01 . 1 . . . . . . . . 4859 1 184 . 1 1 35 35 LYS HG3 H 1 1.40 0.01 . 1 . . . . . . . . 4859 1 185 . 1 1 35 35 LYS HD2 H 1 1.64 0.01 . 1 . . . . . . . . 4859 1 186 . 1 1 35 35 LYS HD3 H 1 1.64 0.01 . 1 . . . . . . . . 4859 1 187 . 1 1 35 35 LYS HE2 H 1 2.99 0.01 . 1 . . . . . . . . 4859 1 188 . 1 1 35 35 LYS HE3 H 1 2.99 0.01 . 1 . . . . . . . . 4859 1 189 . 1 1 36 36 CYS H H 1 7.28 0.01 . 1 . . . . . . . . 4859 1 190 . 1 1 36 36 CYS HA H 1 4.65 0.01 . 1 . . . . . . . . 4859 1 191 . 1 1 36 36 CYS HB3 H 1 3.17 0.01 . 1 . . . . . . . . 4859 1 192 . 1 1 36 36 CYS HB2 H 1 3.37 0.01 . 1 . . . . . . . . 4859 1 193 . 1 1 37 37 PRO HA H 1 4.98 0.01 . 1 . . . . . . . . 4859 1 194 . 1 1 37 37 PRO HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4859 1 195 . 1 1 37 37 PRO HB3 H 1 2.38 0.01 . 1 . . . . . . . . 4859 1 196 . 1 1 37 37 PRO HG2 H 1 1.79 0.01 . 1 . . . . . . . . 4859 1 197 . 1 1 37 37 PRO HG3 H 1 2.22 0.01 . 1 . . . . . . . . 4859 1 198 . 1 1 37 37 PRO HD3 H 1 4.38 0.01 . 1 . . . . . . . . 4859 1 199 . 1 1 37 37 PRO HD2 H 1 4.57 0.01 . 1 . . . . . . . . 4859 1 200 . 1 1 38 38 CYS H H 1 8.31 0.01 . 1 . . . . . . . . 4859 1 201 . 1 1 38 38 CYS HA H 1 3.84 0.01 . 1 . . . . . . . . 4859 1 202 . 1 1 38 38 CYS HB2 H 1 2.47 0.01 . 1 . . . . . . . . 4859 1 203 . 1 1 38 38 CYS HB3 H 1 2.68 0.01 . 1 . . . . . . . . 4859 1 204 . 1 1 39 39 GLY H H 1 8.48 0.01 . 1 . . . . . . . . 4859 1 205 . 1 1 39 39 GLY HA2 H 1 3.88 0.01 . 1 . . . . . . . . 4859 1 206 . 1 1 39 39 GLY HA3 H 1 4.06 0.01 . 1 . . . . . . . . 4859 1 207 . 1 1 40 40 ASN H H 1 8.00 0.01 . 1 . . . . . . . . 4859 1 208 . 1 1 40 40 ASN HA H 1 4.85 0.01 . 1 . . . . . . . . 4859 1 209 . 1 1 40 40 ASN HB2 H 1 2.63 0.01 . 1 . . . . . . . . 4859 1 210 . 1 1 40 40 ASN HB3 H 1 2.94 0.01 . 1 . . . . . . . . 4859 1 211 . 1 1 40 40 ASN HD22 H 1 6.99 0.01 . 1 . . . . . . . . 4859 1 212 . 1 1 40 40 ASN HD21 H 1 7.66 0.01 . 1 . . . . . . . . 4859 1 stop_ save_