################################### # 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_shiftset _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shiftset _Assigned_chem_shift_list.Entry_ID 5972 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $H2O_condition _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 . 5972 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 3 3 CYS H H 1 8.491 0.01 . 1 . . . . . . . . 5972 1 2 . 1 1 3 3 CYS HA H 1 4.543 0.01 . 1 . . . . . . . . 5972 1 3 . 1 1 3 3 CYS HB2 H 1 2.978 0.01 . 2 . . . . . . . . 5972 1 4 . 1 1 3 3 CYS HB3 H 1 3.091 0.01 . 2 . . . . . . . . 5972 1 5 . 1 1 4 4 GLY H H 1 8.657 0.01 . 1 . . . . . . . . 5972 1 6 . 1 1 4 4 GLY HA2 H 1 3.968 0.01 . 1 . . . . . . . . 5972 1 7 . 1 1 4 4 GLY HA3 H 1 3.968 0.01 . 1 . . . . . . . . 5972 1 8 . 1 1 5 5 GLY H H 1 8.286 0.01 . 1 . . . . . . . . 5972 1 9 . 1 1 5 5 GLY HA2 H 1 3.944 0.01 . 1 . . . . . . . . 5972 1 10 . 1 1 5 5 GLY HA3 H 1 3.944 0.01 . 1 . . . . . . . . 5972 1 11 . 1 1 6 6 ASP H H 1 8.286 0.01 . 1 . . . . . . . . 5972 1 12 . 1 1 6 6 ASP HA H 1 4.612 0.01 . 1 . . . . . . . . 5972 1 13 . 1 1 6 6 ASP HB2 H 1 2.633 0.01 . 2 . . . . . . . . 5972 1 14 . 1 1 6 6 ASP HB3 H 1 2.676 0.01 . 2 . . . . . . . . 5972 1 15 . 1 1 7 7 ASN H H 1 8.422 0.01 . 1 . . . . . . . . 5972 1 16 . 1 1 7 7 ASN HA H 1 4.707 0.01 . 1 . . . . . . . . 5972 1 17 . 1 1 7 7 ASN HB2 H 1 2.827 0.01 . 2 . . . . . . . . 5972 1 18 . 1 1 7 7 ASN HB3 H 1 2.914 0.01 . 2 . . . . . . . . 5972 1 19 . 1 1 7 7 ASN HD21 H 1 6.949 0.01 . 2 . . . . . . . . 5972 1 20 . 1 1 7 7 ASN HD22 H 1 7.598 0.01 . 2 . . . . . . . . 5972 1 21 . 1 1 8 8 ILE H H 1 8.174 0.01 . 1 . . . . . . . . 5972 1 22 . 1 1 8 8 ILE HA H 1 3.768 0.01 . 1 . . . . . . . . 5972 1 23 . 1 1 8 8 ILE HB H 1 1.841 0.01 . 1 . . . . . . . . 5972 1 24 . 1 1 8 8 ILE HG12 H 1 1.355 0.01 . 2 . . . . . . . . 5972 1 25 . 1 1 8 8 ILE HG13 H 1 1.240 0.01 . 2 . . . . . . . . 5972 1 26 . 1 1 8 8 ILE HG21 H 1 0.798 0.01 . 1 . . . . . . . . 5972 1 27 . 1 1 8 8 ILE HG22 H 1 0.798 0.01 . 1 . . . . . . . . 5972 1 28 . 1 1 8 8 ILE HG23 H 1 0.798 0.01 . 1 . . . . . . . . 5972 1 29 . 1 1 8 8 ILE HD11 H 1 0.759 0.01 . 1 . . . . . . . . 5972 1 30 . 1 1 8 8 ILE HD12 H 1 0.759 0.01 . 1 . . . . . . . . 5972 1 31 . 1 1 8 8 ILE HD13 H 1 0.759 0.01 . 1 . . . . . . . . 5972 1 32 . 1 1 9 9 GLU H H 1 8.367 0.01 . 1 . . . . . . . . 5972 1 33 . 1 1 9 9 GLU HA H 1 3.878 0.01 . 1 . . . . . . . . 5972 1 34 . 1 1 9 9 GLU HB2 H 1 2.018 0.01 . 2 . . . . . . . . 5972 1 35 . 1 1 9 9 GLU HB3 H 1 2.020 0.01 . 2 . . . . . . . . 5972 1 36 . 1 1 9 9 GLU HG2 H 1 2.365 0.01 . 2 . . . . . . . . 5972 1 37 . 1 1 9 9 GLU HG3 H 1 2.351 0.01 . 2 . . . . . . . . 5972 1 38 . 1 1 10 10 GLN H H 1 7.874 0.01 . 1 . . . . . . . . 5972 1 39 . 1 1 10 10 GLN HA H 1 4.041 0.01 . 1 . . . . . . . . 5972 1 40 . 1 1 10 10 GLN HB2 H 1 2.070 0.01 . 2 . . . . . . . . 5972 1 41 . 1 1 10 10 GLN HB3 H 1 2.073 0.01 . 2 . . . . . . . . 5972 1 42 . 1 1 10 10 GLN HG2 H 1 2.375 0.01 . 1 . . . . . . . . 5972 1 43 . 1 1 10 10 GLN HG3 H 1 2.375 0.01 . 1 . . . . . . . . 5972 1 44 . 1 1 10 10 GLN HE21 H 1 6.880 0.01 . 2 . . . . . . . . 5972 1 45 . 1 1 10 10 GLN HE22 H 1 7.668 0.01 . 2 . . . . . . . . 5972 1 46 . 1 1 11 11 LYS H H 1 7.755 0.01 . 1 . . . . . . . . 5972 1 47 . 1 1 11 11 LYS HA H 1 4.129 0.01 . 1 . . . . . . . . 5972 1 48 . 1 1 11 11 LYS HB2 H 1 1.979 0.01 . 2 . . . . . . . . 5972 1 49 . 1 1 11 11 LYS HB3 H 1 1.983 0.01 . 2 . . . . . . . . 5972 1 50 . 1 1 11 11 LYS HG2 H 1 1.827 0.01 . 2 . . . . . . . . 5972 1 51 . 1 1 11 11 LYS HG3 H 1 1.847 0.01 . 2 . . . . . . . . 5972 1 52 . 1 1 11 11 LYS HD2 H 1 1.468 0.01 . 2 . . . . . . . . 5972 1 53 . 1 1 11 11 LYS HD3 H 1 1.463 0.01 . 2 . . . . . . . . 5972 1 54 . 1 1 11 11 LYS HE2 H 1 2.977 0.01 . 1 . . . . . . . . 5972 1 55 . 1 1 11 11 LYS HE3 H 1 2.977 0.01 . 1 . . . . . . . . 5972 1 56 . 1 1 12 12 ILE H H 1 8.215 0.01 . 1 . . . . . . . . 5972 1 57 . 1 1 12 12 ILE HA H 1 3.494 0.01 . 1 . . . . . . . . 5972 1 58 . 1 1 12 12 ILE HB H 1 1.855 0.01 . 1 . . . . . . . . 5972 1 59 . 1 1 12 12 ILE HG12 H 1 1.751 0.01 . 2 . . . . . . . . 5972 1 60 . 1 1 12 12 ILE HG13 H 1 0.847 0.01 . 2 . . . . . . . . 5972 1 61 . 1 1 12 12 ILE HG21 H 1 1.051 0.01 . 1 . . . . . . . . 5972 1 62 . 1 1 12 12 ILE HG22 H 1 1.051 0.01 . 1 . . . . . . . . 5972 1 63 . 1 1 12 12 ILE HG23 H 1 1.051 0.01 . 1 . . . . . . . . 5972 1 64 . 1 1 12 12 ILE HD11 H 1 0.739 0.01 . 1 . . . . . . . . 5972 1 65 . 1 1 12 12 ILE HD12 H 1 0.739 0.01 . 1 . . . . . . . . 5972 1 66 . 1 1 12 12 ILE HD13 H 1 0.739 0.01 . 1 . . . . . . . . 5972 1 67 . 1 1 13 13 ASP H H 1 8.125 0.01 . 1 . . . . . . . . 5972 1 68 . 1 1 13 13 ASP HA H 1 4.337 0.01 . 1 . . . . . . . . 5972 1 69 . 1 1 13 13 ASP HB2 H 1 2.703 0.01 . 2 . . . . . . . . 5972 1 70 . 1 1 13 13 ASP HB3 H 1 2.822 0.01 . 2 . . . . . . . . 5972 1 71 . 1 1 14 14 ASP H H 1 8.407 0.01 . 1 . . . . . . . . 5972 1 72 . 1 1 14 14 ASP HA H 1 4.443 0.01 . 1 . . . . . . . . 5972 1 73 . 1 1 14 14 ASP HB2 H 1 2.900 0.01 . 2 . . . . . . . . 5972 1 74 . 1 1 14 14 ASP HB3 H 1 2.881 0.01 . 2 . . . . . . . . 5972 1 75 . 1 1 15 15 ILE H H 1 7.907 0.01 . 1 . . . . . . . . 5972 1 76 . 1 1 15 15 ILE HA H 1 3.793 0.01 . 1 . . . . . . . . 5972 1 77 . 1 1 15 15 ILE HB H 1 1.965 0.01 . 1 . . . . . . . . 5972 1 78 . 1 1 15 15 ILE HG12 H 1 1.042 0.01 . 2 . . . . . . . . 5972 1 79 . 1 1 15 15 ILE HG13 H 1 1.093 0.01 . 2 . . . . . . . . 5972 1 80 . 1 1 15 15 ILE HG21 H 1 0.977 0.01 . 1 . . . . . . . . 5972 1 81 . 1 1 15 15 ILE HG22 H 1 0.977 0.01 . 1 . . . . . . . . 5972 1 82 . 1 1 15 15 ILE HG23 H 1 0.977 0.01 . 1 . . . . . . . . 5972 1 83 . 1 1 15 15 ILE HD11 H 1 0.783 0.01 . 1 . . . . . . . . 5972 1 84 . 1 1 15 15 ILE HD12 H 1 0.783 0.01 . 1 . . . . . . . . 5972 1 85 . 1 1 15 15 ILE HD13 H 1 0.783 0.01 . 1 . . . . . . . . 5972 1 86 . 1 1 16 16 ASP H H 1 8.851 0.01 . 1 . . . . . . . . 5972 1 87 . 1 1 16 16 ASP HA H 1 4.424 0.01 . 1 . . . . . . . . 5972 1 88 . 1 1 16 16 ASP HB2 H 1 2.877 0.01 . 2 . . . . . . . . 5972 1 89 . 1 1 16 16 ASP HB3 H 1 2.846 0.01 . 2 . . . . . . . . 5972 1 90 . 1 1 17 17 HIS H H 1 8.362 0.01 . 1 . . . . . . . . 5972 1 91 . 1 1 17 17 HIS HA H 1 4.403 0.01 . 1 . . . . . . . . 5972 1 92 . 1 1 17 17 HIS HB2 H 1 3.444 0.01 . 2 . . . . . . . . 5972 1 93 . 1 1 17 17 HIS HB3 H 1 3.402 0.01 . 2 . . . . . . . . 5972 1 94 . 1 1 17 17 HIS HD2 H 1 8.645 0.01 . 1 . . . . . . . . 5972 1 95 . 1 1 17 17 HIS HE1 H 1 7.362 0.01 . 1 . . . . . . . . 5972 1 96 . 1 1 18 18 GLU H H 1 8.245 0.01 . 1 . . . . . . . . 5972 1 97 . 1 1 18 18 GLU HA H 1 4.159 0.01 . 1 . . . . . . . . 5972 1 98 . 1 1 18 18 GLU HB2 H 1 2.142 0.01 . 2 . . . . . . . . 5972 1 99 . 1 1 18 18 GLU HB3 H 1 2.363 0.01 . 2 . . . . . . . . 5972 1 100 . 1 1 18 18 GLU HG2 H 1 2.574 0.01 . 2 . . . . . . . . 5972 1 101 . 1 1 18 18 GLU HG3 H 1 2.590 0.01 . 2 . . . . . . . . 5972 1 102 . 1 1 19 19 ILE H H 1 9.040 0.01 . 1 . . . . . . . . 5972 1 103 . 1 1 19 19 ILE HA H 1 3.503 0.01 . 1 . . . . . . . . 5972 1 104 . 1 1 19 19 ILE HB H 1 1.896 0.01 . 1 . . . . . . . . 5972 1 105 . 1 1 19 19 ILE HG12 H 1 0.976 0.01 . 2 . . . . . . . . 5972 1 106 . 1 1 19 19 ILE HG13 H 1 0.869 0.01 . 2 . . . . . . . . 5972 1 107 . 1 1 19 19 ILE HG21 H 1 0.822 0.01 . 9 . . . . . . . . 5972 1 108 . 1 1 19 19 ILE HG22 H 1 0.822 0.01 . 9 . . . . . . . . 5972 1 109 . 1 1 19 19 ILE HG23 H 1 0.822 0.01 . 9 . . . . . . . . 5972 1 110 . 1 1 19 19 ILE HD11 H 1 0.822 0.01 . 9 . . . . . . . . 5972 1 111 . 1 1 19 19 ILE HD12 H 1 0.822 0.01 . 9 . . . . . . . . 5972 1 112 . 1 1 19 19 ILE HD13 H 1 0.822 0.01 . 9 . . . . . . . . 5972 1 113 . 1 1 20 20 ALA H H 1 7.894 0.01 . 1 . . . . . . . . 5972 1 114 . 1 1 20 20 ALA HA H 1 4.187 0.01 . 1 . . . . . . . . 5972 1 115 . 1 1 20 20 ALA HB1 H 1 1.501 0.01 . 1 . . . . . . . . 5972 1 116 . 1 1 20 20 ALA HB2 H 1 1.501 0.01 . 1 . . . . . . . . 5972 1 117 . 1 1 20 20 ALA HB3 H 1 1.501 0.01 . 1 . . . . . . . . 5972 1 118 . 1 1 21 21 ASP H H 1 8.089 0.01 . 1 . . . . . . . . 5972 1 119 . 1 1 21 21 ASP HA H 1 4.446 0.01 . 1 . . . . . . . . 5972 1 120 . 1 1 21 21 ASP HB2 H 1 2.731 0.01 . 2 . . . . . . . . 5972 1 121 . 1 1 21 21 ASP HB3 H 1 2.785 0.01 . 2 . . . . . . . . 5972 1 122 . 1 1 22 22 LEU H H 1 8.240 0.01 . 1 . . . . . . . . 5972 1 123 . 1 1 22 22 LEU HA H 1 4.055 0.01 . 1 . . . . . . . . 5972 1 124 . 1 1 22 22 LEU HB2 H 1 2.041 0.01 . 1 . . . . . . . . 5972 1 125 . 1 1 22 22 LEU HB3 H 1 2.041 0.01 . 1 . . . . . . . . 5972 1 126 . 1 1 22 22 LEU HG H 1 1.379 0.01 . 1 . . . . . . . . 5972 1 127 . 1 1 22 22 LEU HD11 H 1 0.954 0.01 . 2 . . . . . . . . 5972 1 128 . 1 1 22 22 LEU HD12 H 1 0.954 0.01 . 2 . . . . . . . . 5972 1 129 . 1 1 22 22 LEU HD13 H 1 0.954 0.01 . 2 . . . . . . . . 5972 1 130 . 1 1 22 22 LEU HD21 H 1 0.911 0.01 . 2 . . . . . . . . 5972 1 131 . 1 1 22 22 LEU HD22 H 1 0.911 0.01 . 2 . . . . . . . . 5972 1 132 . 1 1 22 22 LEU HD23 H 1 0.911 0.01 . 2 . . . . . . . . 5972 1 133 . 1 1 23 23 GLN H H 1 8.952 0.01 . 1 . . . . . . . . 5972 1 134 . 1 1 23 23 GLN HA H 1 3.959 0.01 . 1 . . . . . . . . 5972 1 135 . 1 1 23 23 GLN HB2 H 1 2.266 0.01 . 2 . . . . . . . . 5972 1 136 . 1 1 23 23 GLN HB3 H 1 2.352 0.01 . 2 . . . . . . . . 5972 1 137 . 1 1 23 23 GLN HG2 H 1 2.563 0.01 . 2 . . . . . . . . 5972 1 138 . 1 1 23 23 GLN HG3 H 1 2.006 0.01 . 2 . . . . . . . . 5972 1 139 . 1 1 23 23 GLN HE21 H 1 6.732 0.01 . 2 . . . . . . . . 5972 1 140 . 1 1 23 23 GLN HE22 H 1 7.138 0.01 . 2 . . . . . . . . 5972 1 141 . 1 1 24 24 ALA H H 1 8.021 0.01 . 1 . . . . . . . . 5972 1 142 . 1 1 24 24 ALA HA H 1 4.190 0.01 . 1 . . . . . . . . 5972 1 143 . 1 1 24 24 ALA HB1 H 1 1.564 0.01 . 1 . . . . . . . . 5972 1 144 . 1 1 24 24 ALA HB2 H 1 1.564 0.01 . 1 . . . . . . . . 5972 1 145 . 1 1 24 24 ALA HB3 H 1 1.564 0.01 . 1 . . . . . . . . 5972 1 146 . 1 1 25 25 LYS H H 1 7.972 0.01 . 1 . . . . . . . . 5972 1 147 . 1 1 25 25 LYS HA H 1 3.933 0.01 . 1 . . . . . . . . 5972 1 148 . 1 1 25 25 LYS HB2 H 1 1.911 0.01 . 2 . . . . . . . . 5972 1 149 . 1 1 25 25 LYS HB3 H 1 2.005 0.01 . 2 . . . . . . . . 5972 1 150 . 1 1 25 25 LYS HG2 H 1 1.332 0.01 . 2 . . . . . . . . 5972 1 151 . 1 1 25 25 LYS HG3 H 1 1.375 0.01 . 2 . . . . . . . . 5972 1 152 . 1 1 25 25 LYS HD2 H 1 1.564 0.01 . 2 . . . . . . . . 5972 1 153 . 1 1 25 25 LYS HD3 H 1 1.636 0.01 . 2 . . . . . . . . 5972 1 154 . 1 1 25 25 LYS HE2 H 1 2.958 0.01 . 2 . . . . . . . . 5972 1 155 . 1 1 25 25 LYS HE3 H 1 2.917 0.01 . 2 . . . . . . . . 5972 1 156 . 1 1 26 26 ARG H H 1 8.717 0.01 . 1 . . . . . . . . 5972 1 157 . 1 1 26 26 ARG HA H 1 3.701 0.01 . 1 . . . . . . . . 5972 1 158 . 1 1 26 26 ARG HB2 H 1 2.048 0.01 . 2 . . . . . . . . 5972 1 159 . 1 1 26 26 ARG HB3 H 1 2.062 0.01 . 2 . . . . . . . . 5972 1 160 . 1 1 26 26 ARG HG2 H 1 1.453 0.01 . 2 . . . . . . . . 5972 1 161 . 1 1 26 26 ARG HG3 H 1 1.395 0.01 . 2 . . . . . . . . 5972 1 162 . 1 1 26 26 ARG HD2 H 1 3.203 0.01 . 2 . . . . . . . . 5972 1 163 . 1 1 26 26 ARG HD3 H 1 3.204 0.01 . 2 . . . . . . . . 5972 1 164 . 1 1 26 26 ARG HE H 1 9.511 0.01 . 1 . . . . . . . . 5972 1 165 . 1 1 26 26 ARG HH11 H 1 6.874 0.01 . 1 . . . . . . . . 5972 1 166 . 1 1 26 26 ARG HH12 H 1 6.874 0.01 . 1 . . . . . . . . 5972 1 167 . 1 1 26 26 ARG HH21 H 1 6.915 0.01 . 2 . . . . . . . . 5972 1 168 . 1 1 26 26 ARG HH22 H 1 6.896 0.01 . 2 . . . . . . . . 5972 1 169 . 1 1 27 27 THR H H 1 8.190 0.01 . 1 . . . . . . . . 5972 1 170 . 1 1 27 27 THR HA H 1 3.875 0.01 . 1 . . . . . . . . 5972 1 171 . 1 1 27 27 THR HB H 1 4.255 0.01 . 1 . . . . . . . . 5972 1 172 . 1 1 27 27 THR HG21 H 1 1.212 0.01 . 1 . . . . . . . . 5972 1 173 . 1 1 27 27 THR HG22 H 1 1.212 0.01 . 1 . . . . . . . . 5972 1 174 . 1 1 27 27 THR HG23 H 1 1.212 0.01 . 1 . . . . . . . . 5972 1 175 . 1 1 28 28 ARG H H 1 7.510 0.01 . 1 . . . . . . . . 5972 1 176 . 1 1 28 28 ARG HA H 1 4.067 0.01 . 1 . . . . . . . . 5972 1 177 . 1 1 28 28 ARG HB2 H 1 1.896 0.01 . 2 . . . . . . . . 5972 1 178 . 1 1 28 28 ARG HB3 H 1 1.922 0.01 . 2 . . . . . . . . 5972 1 179 . 1 1 28 28 ARG HG2 H 1 1.604 0.01 . 2 . . . . . . . . 5972 1 180 . 1 1 28 28 ARG HG3 H 1 1.791 0.01 . 2 . . . . . . . . 5972 1 181 . 1 1 28 28 ARG HD2 H 1 3.217 0.01 . 2 . . . . . . . . 5972 1 182 . 1 1 28 28 ARG HD3 H 1 3.191 0.01 . 2 . . . . . . . . 5972 1 183 . 1 1 28 28 ARG HH11 H 1 7.271 0.01 . 2 . . . . . . . . 5972 1 184 . 1 1 28 28 ARG HH12 H 1 7.292 0.01 . 2 . . . . . . . . 5972 1 185 . 1 1 28 28 ARG HH21 H 1 7.281 0.01 . 2 . . . . . . . . 5972 1 186 . 1 1 28 28 ARG HH22 H 1 7.228 0.01 . 2 . . . . . . . . 5972 1 187 . 1 1 29 29 LEU H H 1 7.745 0.01 . 1 . . . . . . . . 5972 1 188 . 1 1 29 29 LEU HA H 1 4.111 0.01 . 1 . . . . . . . . 5972 1 189 . 1 1 29 29 LEU HB2 H 1 2.010 0.01 . 2 . . . . . . . . 5972 1 190 . 1 1 29 29 LEU HB3 H 1 2.161 0.01 . 2 . . . . . . . . 5972 1 191 . 1 1 29 29 LEU HG H 1 1.355 0.01 . 1 . . . . . . . . 5972 1 192 . 1 1 29 29 LEU HD11 H 1 0.874 0.01 . 2 . . . . . . . . 5972 1 193 . 1 1 29 29 LEU HD12 H 1 0.874 0.01 . 2 . . . . . . . . 5972 1 194 . 1 1 29 29 LEU HD13 H 1 0.874 0.01 . 2 . . . . . . . . 5972 1 195 . 1 1 29 29 LEU HD21 H 1 0.891 0.01 . 2 . . . . . . . . 5972 1 196 . 1 1 29 29 LEU HD22 H 1 0.891 0.01 . 2 . . . . . . . . 5972 1 197 . 1 1 29 29 LEU HD23 H 1 0.891 0.01 . 2 . . . . . . . . 5972 1 198 . 1 1 30 30 VAL H H 1 8.135 0.01 . 1 . . . . . . . . 5972 1 199 . 1 1 30 30 VAL HA H 1 3.734 0.01 . 1 . . . . . . . . 5972 1 200 . 1 1 30 30 VAL HB H 1 2.189 0.01 . 1 . . . . . . . . 5972 1 201 . 1 1 30 30 VAL HG11 H 1 1.056 0.01 . 2 . . . . . . . . 5972 1 202 . 1 1 30 30 VAL HG12 H 1 1.056 0.01 . 2 . . . . . . . . 5972 1 203 . 1 1 30 30 VAL HG13 H 1 1.056 0.01 . 2 . . . . . . . . 5972 1 204 . 1 1 30 30 VAL HG21 H 1 0.957 0.01 . 2 . . . . . . . . 5972 1 205 . 1 1 30 30 VAL HG22 H 1 0.957 0.01 . 2 . . . . . . . . 5972 1 206 . 1 1 30 30 VAL HG23 H 1 0.957 0.01 . 2 . . . . . . . . 5972 1 207 . 1 1 31 31 GLN H H 1 7.855 0.01 . 1 . . . . . . . . 5972 1 208 . 1 1 31 31 GLN HA H 1 4.108 0.01 . 1 . . . . . . . . 5972 1 209 . 1 1 31 31 GLN HB2 H 1 2.112 0.01 . 2 . . . . . . . . 5972 1 210 . 1 1 31 31 GLN HB3 H 1 2.133 0.01 . 2 . . . . . . . . 5972 1 211 . 1 1 31 31 GLN HG2 H 1 2.563 0.01 . 2 . . . . . . . . 5972 1 212 . 1 1 31 31 GLN HG3 H 1 2.411 0.01 . 2 . . . . . . . . 5972 1 213 . 1 1 31 31 GLN HE21 H 1 6.871 0.01 . 2 . . . . . . . . 5972 1 214 . 1 1 31 31 GLN HE22 H 1 7.528 0.01 . 2 . . . . . . . . 5972 1 215 . 1 1 32 32 GLN H H 1 7.720 0.01 . 1 . . . . . . . . 5972 1 216 . 1 1 32 32 GLN HA H 1 4.208 0.01 . 1 . . . . . . . . 5972 1 217 . 1 1 32 32 GLN HB2 H 1 2.056 0.01 . 2 . . . . . . . . 5972 1 218 . 1 1 32 32 GLN HB3 H 1 2.080 0.01 . 2 . . . . . . . . 5972 1 219 . 1 1 32 32 GLN HG2 H 1 2.385 0.01 . 2 . . . . . . . . 5972 1 220 . 1 1 32 32 GLN HG3 H 1 2.480 0.01 . 2 . . . . . . . . 5972 1 221 . 1 1 32 32 GLN HE21 H 1 6.816 0.01 . 2 . . . . . . . . 5972 1 222 . 1 1 32 32 GLN HE22 H 1 7.421 0.01 . 2 . . . . . . . . 5972 1 223 . 1 1 33 33 HIS H H 1 7.954 0.01 . 1 . . . . . . . . 5972 1 224 . 1 1 33 33 HIS HA H 1 4.922 0.01 . 1 . . . . . . . . 5972 1 225 . 1 1 33 33 HIS HB2 H 1 3.242 0.01 . 2 . . . . . . . . 5972 1 226 . 1 1 33 33 HIS HB3 H 1 3.102 0.01 . 2 . . . . . . . . 5972 1 227 . 1 1 33 33 HIS HD2 H 1 8.561 0.01 . 1 . . . . . . . . 5972 1 228 . 1 1 33 33 HIS HE1 H 1 7.332 0.01 . 1 . . . . . . . . 5972 1 229 . 1 1 34 34 PRO HA H 1 4.460 0.01 . 1 . . . . . . . . 5972 1 230 . 1 1 34 34 PRO HB2 H 1 1.938 0.01 . 2 . . . . . . . . 5972 1 231 . 1 1 34 34 PRO HB3 H 1 2.274 0.01 . 2 . . . . . . . . 5972 1 232 . 1 1 34 34 PRO HG2 H 1 2.017 0.01 . 2 . . . . . . . . 5972 1 233 . 1 1 34 34 PRO HG3 H 1 2.006 0.01 . 2 . . . . . . . . 5972 1 234 . 1 1 34 34 PRO HD2 H 1 3.514 0.01 . 2 . . . . . . . . 5972 1 235 . 1 1 34 34 PRO HD3 H 1 3.619 0.01 . 2 . . . . . . . . 5972 1 236 . 1 1 35 35 ARG H H 1 8.493 0.01 . 1 . . . . . . . . 5972 1 237 . 1 1 35 35 ARG HA H 1 4.285 0.01 . 1 . . . . . . . . 5972 1 238 . 1 1 35 35 ARG HB2 H 1 1.878 0.01 . 2 . . . . . . . . 5972 1 239 . 1 1 35 35 ARG HB3 H 1 1.846 0.01 . 2 . . . . . . . . 5972 1 240 . 1 1 35 35 ARG HG2 H 1 1.673 0.01 . 2 . . . . . . . . 5972 1 241 . 1 1 35 35 ARG HG3 H 1 1.769 0.01 . 2 . . . . . . . . 5972 1 242 . 1 1 35 35 ARG HD2 H 1 2.856 0.01 . 2 . . . . . . . . 5972 1 243 . 1 1 35 35 ARG HD3 H 1 3.222 0.01 . 2 . . . . . . . . 5972 1 244 . 1 1 35 35 ARG HE H 1 9.505 0.01 . 1 . . . . . . . . 5972 1 245 . 1 1 35 35 ARG HH11 H 1 7.292 0.01 . 2 . . . . . . . . 5972 1 246 . 1 1 35 35 ARG HH12 H 1 7.292 0.01 . 2 . . . . . . . . 5972 1 247 . 1 1 35 35 ARG HH21 H 1 7.337 0.01 . 2 . . . . . . . . 5972 1 248 . 1 1 35 35 ARG HH22 H 1 7.337 0.01 . 2 . . . . . . . . 5972 1 stop_ save_