################################### # 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 6741 _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 . 6741 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 CYS H H 1 7.449 0.000 . 1 . . . . . . . . 6741 1 2 . 1 1 1 1 CYS HA H 1 4.378 0.002 . 1 . . . . . . . . 6741 1 3 . 1 1 1 1 CYS HB2 H 1 3.353 0.000 . 2 . . . . . . . . 6741 1 4 . 1 1 1 1 CYS HB3 H 1 3.429 0.002 . 2 . . . . . . . . 6741 1 5 . 1 1 2 2 TRP H H 1 8.978 0.009 . 1 . . . . . . . . 6741 1 6 . 1 1 2 2 TRP HA H 1 4.606 0.006 . 1 . . . . . . . . 6741 1 7 . 1 1 2 2 TRP HB2 H 1 3.422 0.004 . 1 . . . . . . . . 6741 1 8 . 1 1 2 2 TRP HB3 H 1 3.422 0.004 . 1 . . . . . . . . 6741 1 9 . 1 1 2 2 TRP HD1 H 1 7.407 0.002 . 1 . . . . . . . . 6741 1 10 . 1 1 2 2 TRP HE1 H 1 9.965 0.003 . 1 . . . . . . . . 6741 1 11 . 1 1 2 2 TRP HE3 H 1 7.537 0.006 . 1 . . . . . . . . 6741 1 12 . 1 1 2 2 TRP HZ2 H 1 7.486 0.010 . 1 . . . . . . . . 6741 1 13 . 1 1 2 2 TRP HZ3 H 1 7.031 0.005 . 1 . . . . . . . . 6741 1 14 . 1 1 2 2 TRP HH2 H 1 7.140 0.004 . 1 . . . . . . . . 6741 1 15 . 1 1 3 3 LEU H H 1 7.540 0.002 . 1 . . . . . . . . 6741 1 16 . 1 1 3 3 LEU HA H 1 3.864 0.005 . 1 . . . . . . . . 6741 1 17 . 1 1 3 3 LEU HB2 H 1 1.487 0.004 . 2 . . . . . . . . 6741 1 18 . 1 1 3 3 LEU HB3 H 1 1.598 0.005 . 2 . . . . . . . . 6741 1 19 . 1 1 3 3 LEU HD11 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 20 . 1 1 3 3 LEU HD12 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 21 . 1 1 3 3 LEU HD13 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 22 . 1 1 3 3 LEU HD21 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 23 . 1 1 3 3 LEU HD22 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 24 . 1 1 3 3 LEU HD23 H 1 0.777 0.008 . 1 . . . . . . . . 6741 1 25 . 1 1 4 4 CYS H H 1 8.273 0.006 . 1 . . . . . . . . 6741 1 26 . 1 1 4 4 CYS HA H 1 4.587 0.003 . 1 . . . . . . . . 6741 1 27 . 1 1 4 4 CYS HB2 H 1 2.944 0.000 . 2 . . . . . . . . 6741 1 28 . 1 1 4 4 CYS HB3 H 1 3.225 0.000 . 2 . . . . . . . . 6741 1 29 . 1 1 5 5 ARG H H 1 7.628 0.007 . 1 . . . . . . . . 6741 1 30 . 1 1 5 5 ARG HA H 1 4.024 0.003 . 1 . . . . . . . . 6741 1 31 . 1 1 5 5 ARG HB2 H 1 1.978 0.007 . 1 . . . . . . . . 6741 1 32 . 1 1 5 5 ARG HB3 H 1 1.978 0.007 . 1 . . . . . . . . 6741 1 33 . 1 1 5 5 ARG HG2 H 1 1.772 0.003 . 1 . . . . . . . . 6741 1 34 . 1 1 5 5 ARG HG3 H 1 1.772 0.003 . 1 . . . . . . . . 6741 1 35 . 1 1 5 5 ARG HD2 H 1 3.220 0.005 . 1 . . . . . . . . 6741 1 36 . 1 1 5 5 ARG HD3 H 1 3.220 0.005 . 1 . . . . . . . . 6741 1 37 . 1 1 5 5 ARG HE H 1 7.043 0.002 . 1 . . . . . . . . 6741 1 38 . 1 1 6 6 ALA H H 1 7.908 0.004 . 1 . . . . . . . . 6741 1 39 . 1 1 6 6 ALA HA H 1 4.035 0.004 . 1 . . . . . . . . 6741 1 40 . 1 1 6 6 ALA HB1 H 1 1.322 0.006 . 1 . . . . . . . . 6741 1 41 . 1 1 6 6 ALA HB2 H 1 1.322 0.006 . 1 . . . . . . . . 6741 1 42 . 1 1 6 6 ALA HB3 H 1 1.322 0.006 . 1 . . . . . . . . 6741 1 43 . 1 1 7 7 LEU H H 1 7.981 0.006 . 1 . . . . . . . . 6741 1 44 . 1 1 7 7 LEU HA H 1 4.030 0.006 . 1 . . . . . . . . 6741 1 45 . 1 1 7 7 LEU HB2 H 1 1.671 0.008 . 2 . . . . . . . . 6741 1 46 . 1 1 7 7 LEU HB3 H 1 1.711 0.012 . 2 . . . . . . . . 6741 1 47 . 1 1 7 7 LEU HD11 H 1 0.901 0.006 . 1 . . . . . . . . 6741 1 48 . 1 1 7 7 LEU HD12 H 1 0.901 0.006 . 1 . . . . . . . . 6741 1 49 . 1 1 7 7 LEU HD13 H 1 0.901 0.006 . 1 . . . . . . . . 6741 1 50 . 1 1 7 7 LEU HD21 H 1 0.858 0.010 . 1 . . . . . . . . 6741 1 51 . 1 1 7 7 LEU HD22 H 1 0.858 0.010 . 1 . . . . . . . . 6741 1 52 . 1 1 7 7 LEU HD23 H 1 0.858 0.010 . 1 . . . . . . . . 6741 1 53 . 1 1 8 8 ILE H H 1 7.755 0.010 . 1 . . . . . . . . 6741 1 54 . 1 1 8 8 ILE HA H 1 3.656 0.009 . 1 . . . . . . . . 6741 1 55 . 1 1 8 8 ILE HB H 1 1.988 0.001 . 1 . . . . . . . . 6741 1 56 . 1 1 8 8 ILE HG12 H 1 1.275 0.004 . 1 . . . . . . . . 6741 1 57 . 1 1 8 8 ILE HG13 H 1 1.275 0.004 . 1 . . . . . . . . 6741 1 58 . 1 1 8 8 ILE HG21 H 1 0.921 0.007 . 1 . . . . . . . . 6741 1 59 . 1 1 8 8 ILE HG22 H 1 0.921 0.007 . 1 . . . . . . . . 6741 1 60 . 1 1 8 8 ILE HG23 H 1 0.921 0.007 . 1 . . . . . . . . 6741 1 61 . 1 1 8 8 ILE HD11 H 1 0.825 0.006 . 1 . . . . . . . . 6741 1 62 . 1 1 8 8 ILE HD12 H 1 0.825 0.006 . 1 . . . . . . . . 6741 1 63 . 1 1 8 8 ILE HD13 H 1 0.825 0.006 . 1 . . . . . . . . 6741 1 64 . 1 1 9 9 LYS H H 1 7.827 0.009 . 1 . . . . . . . . 6741 1 65 . 1 1 9 9 LYS HA H 1 4.135 0.007 . 1 . . . . . . . . 6741 1 66 . 1 1 9 9 LYS HB2 H 1 1.924 0.004 . 1 . . . . . . . . 6741 1 67 . 1 1 9 9 LYS HB3 H 1 1.885 0.006 . 1 . . . . . . . . 6741 1 68 . 1 1 9 9 LYS HG2 H 1 1.514 0.006 . 1 . . . . . . . . 6741 1 69 . 1 1 9 9 LYS HG3 H 1 1.600 0.005 . 1 . . . . . . . . 6741 1 70 . 1 1 9 9 LYS HD2 H 1 1.731 0.008 . 1 . . . . . . . . 6741 1 71 . 1 1 9 9 LYS HD3 H 1 1.731 0.008 . 1 . . . . . . . . 6741 1 72 . 1 1 9 9 LYS HE2 H 1 3.004 0.009 . 1 . . . . . . . . 6741 1 73 . 1 1 9 9 LYS HE3 H 1 3.004 0.009 . 1 . . . . . . . . 6741 1 74 . 1 1 9 9 LYS HZ1 H 1 7.416 0.000 . 1 . . . . . . . . 6741 1 75 . 1 1 9 9 LYS HZ2 H 1 7.416 0.000 . 1 . . . . . . . . 6741 1 76 . 1 1 9 9 LYS HZ3 H 1 7.416 0.000 . 1 . . . . . . . . 6741 1 77 . 1 1 10 10 ARG H H 1 7.700 0.006 . 1 . . . . . . . . 6741 1 78 . 1 1 10 10 ARG HA H 1 4.190 0.005 . 1 . . . . . . . . 6741 1 79 . 1 1 10 10 ARG HB2 H 1 2.015 0.006 . 1 . . . . . . . . 6741 1 80 . 1 1 10 10 ARG HB3 H 1 2.015 0.006 . 1 . . . . . . . . 6741 1 81 . 1 1 10 10 ARG HG2 H 1 1.758 0.009 . 1 . . . . . . . . 6741 1 82 . 1 1 10 10 ARG HG3 H 1 1.758 0.009 . 1 . . . . . . . . 6741 1 83 . 1 1 10 10 ARG HD2 H 1 3.219 0.007 . 1 . . . . . . . . 6741 1 84 . 1 1 10 10 ARG HD3 H 1 3.219 0.007 . 1 . . . . . . . . 6741 1 85 . 1 1 10 10 ARG HE H 1 7.246 0.008 . 1 . . . . . . . . 6741 1 86 . 1 1 10 10 ARG HH11 H 1 6.666 0.001 . 1 . . . . . . . . 6741 1 87 . 1 1 10 10 ARG HH12 H 1 6.666 0.001 . 1 . . . . . . . . 6741 1 88 . 1 1 10 10 ARG HH21 H 1 6.666 0.001 . 1 . . . . . . . . 6741 1 89 . 1 1 10 10 ARG HH22 H 1 6.666 0.001 . 1 . . . . . . . . 6741 1 90 . 1 1 11 11 ILE H H 1 8.132 0.007 . 1 . . . . . . . . 6741 1 91 . 1 1 11 11 ILE HA H 1 3.818 0.008 . 1 . . . . . . . . 6741 1 92 . 1 1 11 11 ILE HB H 1 2.007 0.006 . 1 . . . . . . . . 6741 1 93 . 1 1 11 11 ILE HG12 H 1 1.149 0.006 . 1 . . . . . . . . 6741 1 94 . 1 1 11 11 ILE HG13 H 1 1.149 0.006 . 1 . . . . . . . . 6741 1 95 . 1 1 11 11 ILE HG21 H 1 0.915 0.005 . 1 . . . . . . . . 6741 1 96 . 1 1 11 11 ILE HG22 H 1 0.915 0.005 . 1 . . . . . . . . 6741 1 97 . 1 1 11 11 ILE HG23 H 1 0.915 0.005 . 1 . . . . . . . . 6741 1 98 . 1 1 11 11 ILE HD11 H 1 0.805 0.004 . 1 . . . . . . . . 6741 1 99 . 1 1 11 11 ILE HD12 H 1 0.805 0.004 . 1 . . . . . . . . 6741 1 100 . 1 1 11 11 ILE HD13 H 1 0.805 0.004 . 1 . . . . . . . . 6741 1 101 . 1 1 12 12 GLN H H 1 8.410 0.008 . 1 . . . . . . . . 6741 1 102 . 1 1 12 12 GLN HA H 1 3.906 0.007 . 1 . . . . . . . . 6741 1 103 . 1 1 12 12 GLN HB2 H 1 2.173 0.008 . 1 . . . . . . . . 6741 1 104 . 1 1 12 12 GLN HB3 H 1 2.173 0.008 . 1 . . . . . . . . 6741 1 105 . 1 1 12 12 GLN HG2 H 1 2.552 0.006 . 1 . . . . . . . . 6741 1 106 . 1 1 12 12 GLN HG3 H 1 2.368 0.007 . 1 . . . . . . . . 6741 1 107 . 1 1 12 12 GLN HE21 H 1 6.587 0.005 . 1 . . . . . . . . 6741 1 108 . 1 1 12 12 GLN HE22 H 1 7.072 0.003 . 1 . . . . . . . . 6741 1 109 . 1 1 13 13 ALA H H 1 7.411 0.008 . 1 . . . . . . . . 6741 1 110 . 1 1 13 13 ALA HA H 1 4.230 0.005 . 1 . . . . . . . . 6741 1 111 . 1 1 13 13 ALA HB1 H 1 1.528 0.005 . 1 . . . . . . . . 6741 1 112 . 1 1 13 13 ALA HB2 H 1 1.528 0.005 . 1 . . . . . . . . 6741 1 113 . 1 1 13 13 ALA HB3 H 1 1.528 0.005 . 1 . . . . . . . . 6741 1 114 . 1 1 14 14 MET H H 1 7.758 0.005 . 1 . . . . . . . . 6741 1 115 . 1 1 14 14 MET HA H 1 4.405 0.002 . 1 . . . . . . . . 6741 1 116 . 1 1 14 14 MET HB2 H 1 2.194 0.005 . 1 . . . . . . . . 6741 1 117 . 1 1 14 14 MET HB3 H 1 2.194 0.005 . 1 . . . . . . . . 6741 1 118 . 1 1 14 14 MET HG2 H 1 2.669 0.008 . 1 . . . . . . . . 6741 1 119 . 1 1 14 14 MET HG3 H 1 2.731 0.008 . 1 . . . . . . . . 6741 1 120 . 1 1 15 15 ILE H H 1 7.415 0.008 . 1 . . . . . . . . 6741 1 121 . 1 1 15 15 ILE HA H 1 4.249 0.005 . 1 . . . . . . . . 6741 1 122 . 1 1 15 15 ILE HB H 1 1.998 0.010 . 1 . . . . . . . . 6741 1 123 . 1 1 15 15 ILE HG12 H 1 1.287 0.001 . 1 . . . . . . . . 6741 1 124 . 1 1 15 15 ILE HG13 H 1 1.287 0.001 . 1 . . . . . . . . 6741 1 125 . 1 1 15 15 ILE HG21 H 1 0.989 0.004 . 1 . . . . . . . . 6741 1 126 . 1 1 15 15 ILE HG22 H 1 0.989 0.004 . 1 . . . . . . . . 6741 1 127 . 1 1 15 15 ILE HG23 H 1 0.989 0.004 . 1 . . . . . . . . 6741 1 128 . 1 1 15 15 ILE HD11 H 1 0.875 0.005 . 1 . . . . . . . . 6741 1 129 . 1 1 15 15 ILE HD12 H 1 0.875 0.005 . 1 . . . . . . . . 6741 1 130 . 1 1 15 15 ILE HD13 H 1 0.875 0.005 . 1 . . . . . . . . 6741 1 131 . 1 1 16 16 PRO HA H 1 4.480 0.002 . 1 . . . . . . . . 6741 1 132 . 1 1 16 16 PRO HB2 H 1 2.330 0.004 . 1 . . . . . . . . 6741 1 133 . 1 1 16 16 PRO HB3 H 1 2.330 0.004 . 1 . . . . . . . . 6741 1 134 . 1 1 16 16 PRO HG2 H 1 1.984 0.008 . 2 . . . . . . . . 6741 1 135 . 1 1 16 16 PRO HG3 H 1 2.051 0.004 . 2 . . . . . . . . 6741 1 136 . 1 1 16 16 PRO HD2 H 1 3.651 0.006 . 1 . . . . . . . . 6741 1 137 . 1 1 16 16 PRO HD3 H 1 3.945 0.006 . 1 . . . . . . . . 6741 1 138 . 1 1 17 17 LYS H H 1 8.002 0.004 . 1 . . . . . . . . 6741 1 139 . 1 1 17 17 LYS HA H 1 4.403 0.004 . 1 . . . . . . . . 6741 1 140 . 1 1 17 17 LYS HB2 H 1 1.865 0.001 . 2 . . . . . . . . 6741 1 141 . 1 1 17 17 LYS HB3 H 1 1.929 0.007 . 2 . . . . . . . . 6741 1 142 . 1 1 17 17 LYS HG2 H 1 1.478 0.010 . 2 . . . . . . . . 6741 1 143 . 1 1 17 17 LYS HG3 H 1 1.538 0.008 . 2 . . . . . . . . 6741 1 144 . 1 1 17 17 LYS HD2 H 1 1.733 0.008 . 1 . . . . . . . . 6741 1 145 . 1 1 17 17 LYS HD3 H 1 1.733 0.008 . 1 . . . . . . . . 6741 1 146 . 1 1 17 17 LYS HE2 H 1 3.031 0.009 . 1 . . . . . . . . 6741 1 147 . 1 1 17 17 LYS HE3 H 1 3.031 0.009 . 1 . . . . . . . . 6741 1 148 . 1 1 17 17 LYS HZ1 H 1 7.412 0.005 . 1 . . . . . . . . 6741 1 149 . 1 1 17 17 LYS HZ2 H 1 7.412 0.005 . 1 . . . . . . . . 6741 1 150 . 1 1 17 17 LYS HZ3 H 1 7.412 0.005 . 1 . . . . . . . . 6741 1 151 . 1 1 18 18 GLY H H 1 8.214 0.007 . 1 . . . . . . . . 6741 1 152 . 1 1 18 18 GLY HA2 H 1 3.996 0.008 . 1 . . . . . . . . 6741 1 153 . 1 1 18 18 GLY HA3 H 1 3.996 0.008 . 1 . . . . . . . . 6741 1 154 . 1 1 19 19 GLY H H 1 8.212 0.004 . 1 . . . . . . . . 6741 1 155 . 1 1 19 19 GLY HA2 H 1 3.962 0.004 . 1 . . . . . . . . 6741 1 156 . 1 1 19 19 GLY HA3 H 1 3.962 0.004 . 1 . . . . . . . . 6741 1 157 . 1 1 20 20 ARG H H 1 8.010 0.005 . 1 . . . . . . . . 6741 1 158 . 1 1 20 20 ARG HA H 1 4.321 0.002 . 1 . . . . . . . . 6741 1 159 . 1 1 20 20 ARG HB2 H 1 1.870 0.009 . 2 . . . . . . . . 6741 1 160 . 1 1 20 20 ARG HB3 H 1 1.966 0.009 . 2 . . . . . . . . 6741 1 161 . 1 1 20 20 ARG HG2 H 1 1.704 0.007 . 1 . . . . . . . . 6741 1 162 . 1 1 20 20 ARG HG3 H 1 1.704 0.007 . 1 . . . . . . . . 6741 1 163 . 1 1 20 20 ARG HD2 H 1 3.231 0.007 . 1 . . . . . . . . 6741 1 164 . 1 1 20 20 ARG HD3 H 1 3.231 0.007 . 1 . . . . . . . . 6741 1 165 . 1 1 20 20 ARG HE H 1 7.155 0.004 . 1 . . . . . . . . 6741 1 166 . 1 1 21 21 MET H H 1 8.279 0.006 . 1 . . . . . . . . 6741 1 167 . 1 1 21 21 MET HA H 1 4.434 0.003 . 1 . . . . . . . . 6741 1 168 . 1 1 21 21 MET HB2 H 1 2.075 0.005 . 2 . . . . . . . . 6741 1 169 . 1 1 21 21 MET HB3 H 1 2.165 0.005 . 2 . . . . . . . . 6741 1 170 . 1 1 21 21 MET HG2 H 1 2.534 0.009 . 1 . . . . . . . . 6741 1 171 . 1 1 21 21 MET HG3 H 1 2.626 0.006 . 1 . . . . . . . . 6741 1 172 . 1 1 22 22 LEU H H 1 8.274 0.005 . 1 . . . . . . . . 6741 1 173 . 1 1 22 22 LEU HA H 1 4.315 0.007 . 1 . . . . . . . . 6741 1 174 . 1 1 22 22 LEU HB2 H 1 1.654 0.005 . 1 . . . . . . . . 6741 1 175 . 1 1 22 22 LEU HB3 H 1 1.749 0.010 . 1 . . . . . . . . 6741 1 176 . 1 1 22 22 LEU HD11 H 1 0.979 0.004 . 2 . . . . . . . . 6741 1 177 . 1 1 22 22 LEU HD12 H 1 0.979 0.004 . 2 . . . . . . . . 6741 1 178 . 1 1 22 22 LEU HD13 H 1 0.979 0.004 . 2 . . . . . . . . 6741 1 179 . 1 1 22 22 LEU HD21 H 1 0.917 0.006 . 2 . . . . . . . . 6741 1 180 . 1 1 22 22 LEU HD22 H 1 0.917 0.006 . 2 . . . . . . . . 6741 1 181 . 1 1 22 22 LEU HD23 H 1 0.917 0.006 . 2 . . . . . . . . 6741 1 182 . 1 1 23 23 PRO HA H 1 4.187 0.010 . 1 . . . . . . . . 6741 1 183 . 1 1 23 23 PRO HB2 H 1 2.180 0.006 . 1 . . . . . . . . 6741 1 184 . 1 1 23 23 PRO HB3 H 1 2.323 0.009 . 1 . . . . . . . . 6741 1 185 . 1 1 23 23 PRO HG2 H 1 1.976 0.006 . 1 . . . . . . . . 6741 1 186 . 1 1 23 23 PRO HG3 H 1 1.901 0.011 . 1 . . . . . . . . 6741 1 187 . 1 1 23 23 PRO HD2 H 1 3.687 0.009 . 1 . . . . . . . . 6741 1 188 . 1 1 23 23 PRO HD3 H 1 3.605 0.007 . 1 . . . . . . . . 6741 1 189 . 1 1 24 24 GLN H H 1 7.490 0.006 . 1 . . . . . . . . 6741 1 190 . 1 1 24 24 GLN HA H 1 4.077 0.010 . 1 . . . . . . . . 6741 1 191 . 1 1 24 24 GLN HB2 H 1 2.157 0.006 . 2 . . . . . . . . 6741 1 192 . 1 1 24 24 GLN HB3 H 1 2.229 0.004 . 2 . . . . . . . . 6741 1 193 . 1 1 24 24 GLN HG2 H 1 2.452 0.004 . 2 . . . . . . . . 6741 1 194 . 1 1 24 24 GLN HG3 H 1 2.484 0.010 . 2 . . . . . . . . 6741 1 195 . 1 1 24 24 GLN HE21 H 1 6.707 0.006 . 1 . . . . . . . . 6741 1 196 . 1 1 24 24 GLN HE22 H 1 6.707 0.006 . 1 . . . . . . . . 6741 1 197 . 1 1 25 25 LEU H H 1 7.990 0.005 . 1 . . . . . . . . 6741 1 198 . 1 1 25 25 LEU HA H 1 4.114 0.005 . 1 . . . . . . . . 6741 1 199 . 1 1 25 25 LEU HB2 H 1 1.862 0.007 . 1 . . . . . . . . 6741 1 200 . 1 1 25 25 LEU HB3 H 1 1.738 0.010 . 1 . . . . . . . . 6741 1 201 . 1 1 25 25 LEU HG H 1 1.476 0.011 . 1 . . . . . . . . 6741 1 202 . 1 1 25 25 LEU HD11 H 1 0.895 0.013 . 1 . . . . . . . . 6741 1 203 . 1 1 25 25 LEU HD12 H 1 0.895 0.013 . 1 . . . . . . . . 6741 1 204 . 1 1 25 25 LEU HD13 H 1 0.895 0.013 . 1 . . . . . . . . 6741 1 205 . 1 1 25 25 LEU HD21 H 1 0.936 0.005 . 1 . . . . . . . . 6741 1 206 . 1 1 25 25 LEU HD22 H 1 0.936 0.005 . 1 . . . . . . . . 6741 1 207 . 1 1 25 25 LEU HD23 H 1 0.936 0.005 . 1 . . . . . . . . 6741 1 208 . 1 1 26 26 VAL H H 1 8.175 0.008 . 1 . . . . . . . . 6741 1 209 . 1 1 26 26 VAL HA H 1 3.593 0.006 . 1 . . . . . . . . 6741 1 210 . 1 1 26 26 VAL HB H 1 2.159 0.007 . 1 . . . . . . . . 6741 1 211 . 1 1 26 26 VAL HG11 H 1 0.962 0.007 . 1 . . . . . . . . 6741 1 212 . 1 1 26 26 VAL HG12 H 1 0.962 0.007 . 1 . . . . . . . . 6741 1 213 . 1 1 26 26 VAL HG13 H 1 0.962 0.007 . 1 . . . . . . . . 6741 1 214 . 1 1 26 26 VAL HG21 H 1 1.041 0.007 . 1 . . . . . . . . 6741 1 215 . 1 1 26 26 VAL HG22 H 1 1.041 0.007 . 1 . . . . . . . . 6741 1 216 . 1 1 26 26 VAL HG23 H 1 1.041 0.007 . 1 . . . . . . . . 6741 1 217 . 1 1 27 27 CYS H H 1 8.025 0.007 . 1 . . . . . . . . 6741 1 218 . 1 1 27 27 CYS HA H 1 4.387 0.005 . 1 . . . . . . . . 6741 1 219 . 1 1 27 27 CYS HB2 H 1 3.153 0.008 . 1 . . . . . . . . 6741 1 220 . 1 1 27 27 CYS HB3 H 1 3.240 0.011 . 1 . . . . . . . . 6741 1 221 . 1 1 28 28 ARG H H 1 7.839 0.006 . 1 . . . . . . . . 6741 1 222 . 1 1 28 28 ARG HA H 1 4.231 0.006 . 1 . . . . . . . . 6741 1 223 . 1 1 28 28 ARG HB2 H 1 1.996 0.012 . 1 . . . . . . . . 6741 1 224 . 1 1 28 28 ARG HB3 H 1 1.996 0.012 . 1 . . . . . . . . 6741 1 225 . 1 1 28 28 ARG HG2 H 1 1.713 0.006 . 1 . . . . . . . . 6741 1 226 . 1 1 28 28 ARG HG3 H 1 1.802 0.007 . 1 . . . . . . . . 6741 1 227 . 1 1 28 28 ARG HD2 H 1 3.218 0.006 . 1 . . . . . . . . 6741 1 228 . 1 1 28 28 ARG HD3 H 1 3.218 0.006 . 1 . . . . . . . . 6741 1 229 . 1 1 28 28 ARG HE H 1 7.206 0.008 . 1 . . . . . . . . 6741 1 230 . 1 1 28 28 ARG HH11 H 1 6.633 0.004 . 1 . . . . . . . . 6741 1 231 . 1 1 28 28 ARG HH12 H 1 6.633 0.004 . 1 . . . . . . . . 6741 1 232 . 1 1 28 28 ARG HH21 H 1 6.633 0.004 . 1 . . . . . . . . 6741 1 233 . 1 1 28 28 ARG HH22 H 1 6.663 0.004 . 1 . . . . . . . . 6741 1 234 . 1 1 29 29 LEU H H 1 7.888 0.008 . 1 . . . . . . . . 6741 1 235 . 1 1 29 29 LEU HA H 1 4.363 0.001 . 1 . . . . . . . . 6741 1 236 . 1 1 29 29 LEU HB2 H 1 1.632 0.004 . 2 . . . . . . . . 6741 1 237 . 1 1 29 29 LEU HB3 H 1 1.851 0.005 . 2 . . . . . . . . 6741 1 238 . 1 1 29 29 LEU HG H 1 1.446 0.005 . 1 . . . . . . . . 6741 1 239 . 1 1 29 29 LEU HD11 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 240 . 1 1 29 29 LEU HD12 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 241 . 1 1 29 29 LEU HD13 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 242 . 1 1 29 29 LEU HD21 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 243 . 1 1 29 29 LEU HD22 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 244 . 1 1 29 29 LEU HD23 H 1 0.922 0.005 . 1 . . . . . . . . 6741 1 245 . 1 1 30 30 VAL H H 1 7.677 0.004 . 1 . . . . . . . . 6741 1 246 . 1 1 30 30 VAL HA H 1 4.412 0.003 . 1 . . . . . . . . 6741 1 247 . 1 1 30 30 VAL HB H 1 2.395 0.008 . 1 . . . . . . . . 6741 1 248 . 1 1 30 30 VAL HG11 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 249 . 1 1 30 30 VAL HG12 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 250 . 1 1 30 30 VAL HG13 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 251 . 1 1 30 30 VAL HG21 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 252 . 1 1 30 30 VAL HG22 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 253 . 1 1 30 30 VAL HG23 H 1 0.974 0.007 . 1 . . . . . . . . 6741 1 254 . 1 1 31 31 LEU H H 1 7.853 0.010 . 1 . . . . . . . . 6741 1 255 . 1 1 31 31 LEU HA H 1 4.327 0.006 . 1 . . . . . . . . 6741 1 256 . 1 1 31 31 LEU HB2 H 1 1.705 0.006 . 2 . . . . . . . . 6741 1 257 . 1 1 31 31 LEU HB3 H 1 1.933 0.005 . 2 . . . . . . . . 6741 1 258 . 1 1 31 31 LEU HG H 1 1.512 0.006 . 1 . . . . . . . . 6741 1 259 . 1 1 31 31 LEU HD11 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 260 . 1 1 31 31 LEU HD12 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 261 . 1 1 31 31 LEU HD13 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 262 . 1 1 31 31 LEU HD21 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 263 . 1 1 31 31 LEU HD22 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 264 . 1 1 31 31 LEU HD23 H 1 0.928 0.012 . 1 . . . . . . . . 6741 1 265 . 1 1 32 32 ARG H H 1 7.564 0.007 . 1 . . . . . . . . 6741 1 266 . 1 1 32 32 ARG HA H 1 4.431 0.000 . 1 . . . . . . . . 6741 1 267 . 1 1 32 32 ARG HB2 H 1 1.865 0.007 . 2 . . . . . . . . 6741 1 268 . 1 1 32 32 ARG HB3 H 1 1.933 0.005 . 2 . . . . . . . . 6741 1 269 . 1 1 32 32 ARG HG2 H 1 1.631 0.005 . 2 . . . . . . . . 6741 1 270 . 1 1 32 32 ARG HG3 H 1 1.705 0.007 . 2 . . . . . . . . 6741 1 271 . 1 1 32 32 ARG HD2 H 1 3.174 0.005 . 1 . . . . . . . . 6741 1 272 . 1 1 32 32 ARG HD3 H 1 3.174 0.005 . 1 . . . . . . . . 6741 1 273 . 1 1 32 32 ARG HE H 1 7.101 0.004 . 1 . . . . . . . . 6741 1 274 . 1 1 33 33 CYS H H 1 7.916 0.007 . 1 . . . . . . . . 6741 1 275 . 1 1 33 33 CYS HA H 1 4.676 0.003 . 1 . . . . . . . . 6741 1 276 . 1 1 33 33 CYS HB2 H 1 3.155 0.004 . 1 . . . . . . . . 6741 1 277 . 1 1 33 33 CYS HB3 H 1 3.452 0.008 . 1 . . . . . . . . 6741 1 278 . 1 1 34 34 SER H H 1 7.978 0.006 . 1 . . . . . . . . 6741 1 279 . 1 1 34 34 SER HA H 1 4.300 0.004 . 1 . . . . . . . . 6741 1 280 . 1 1 34 34 SER HB2 H 1 3.855 0.006 . 1 . . . . . . . . 6741 1 281 . 1 1 34 34 SER HB3 H 1 3.855 0.006 . 1 . . . . . . . . 6741 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6741 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_2 _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 . . 2 $sample_2 . 6741 2 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 CYS H H 1 7.357 0.002 . 1 . . . . . . . . 6741 2 2 . 1 1 1 1 CYS HA H 1 4.462 0.004 . 1 . . . . . . . . 6741 2 3 . 1 1 1 1 CYS HB3 H 1 3.614 0.000 . 2 . . . . . . . . 6741 2 4 . 1 1 1 1 CYS HB2 H 1 3.578 0.000 . 2 . . . . . . . . 6741 2 5 . 1 1 2 2 TRP H H 1 8.339 0.004 . 1 . . . . . . . . 6741 2 6 . 1 1 2 2 TRP HA H 1 4.458 0.003 . 1 . . . . . . . . 6741 2 7 . 1 1 2 2 TRP HB2 H 1 3.439 0.003 . 1 . . . . . . . . 6741 2 8 . 1 1 2 2 TRP HB3 H 1 3.365 0.003 . 1 . . . . . . . . 6741 2 9 . 1 1 2 2 TRP HD1 H 1 7.356 0.000 . 1 . . . . . . . . 6741 2 10 . 1 1 2 2 TRP HE1 H 1 9.582 0.002 . 1 . . . . . . . . 6741 2 11 . 1 1 2 2 TRP HE3 H 1 7.535 0.001 . 1 . . . . . . . . 6741 2 12 . 1 1 2 2 TRP HZ2 H 1 7.505 0.003 . 1 . . . . . . . . 6741 2 13 . 1 1 2 2 TRP HZ3 H 1 7.153 0.003 . 1 . . . . . . . . 6741 2 14 . 1 1 2 2 TRP HH2 H 1 7.271 0.004 . 1 . . . . . . . . 6741 2 15 . 1 1 3 3 LEU H H 1 7.286 0.006 . 1 . . . . . . . . 6741 2 16 . 1 1 3 3 LEU HA H 1 3.965 0.004 . 1 . . . . . . . . 6741 2 17 . 1 1 3 3 LEU HB2 H 1 1.424 0.002 . 1 . . . . . . . . 6741 2 18 . 1 1 3 3 LEU HB3 H 1 1.512 0.009 . 1 . . . . . . . . 6741 2 19 . 1 1 3 3 LEU HG H 1 1.169 0.005 . 1 . . . . . . . . 6741 2 20 . 1 1 3 3 LEU HD11 H 1 0.911 0.006 . 1 . . . . . . . . 6741 2 21 . 1 1 3 3 LEU HD12 H 1 0.911 0.006 . 1 . . . . . . . . 6741 2 22 . 1 1 3 3 LEU HD13 H 1 0.911 0.006 . 1 . . . . . . . . 6741 2 23 . 1 1 3 3 LEU HD21 H 1 0.845 0.003 . 1 . . . . . . . . 6741 2 24 . 1 1 3 3 LEU HD22 H 1 0.845 0.003 . 1 . . . . . . . . 6741 2 25 . 1 1 3 3 LEU HD23 H 1 0.845 0.003 . 1 . . . . . . . . 6741 2 26 . 1 1 4 4 CYS H H 1 8.441 0.002 . 1 . . . . . . . . 6741 2 27 . 1 1 4 4 CYS HA H 1 4.316 0.004 . 1 . . . . . . . . 6741 2 28 . 1 1 4 4 CYS HB2 H 1 2.807 0.004 . 1 . . . . . . . . 6741 2 29 . 1 1 4 4 CYS HB3 H 1 3.581 0.005 . 1 . . . . . . . . 6741 2 30 . 1 1 5 5 ARG H H 1 7.531 0.004 . 1 . . . . . . . . 6741 2 31 . 1 1 5 5 ARG HA H 1 3.988 0.003 . 1 . . . . . . . . 6741 2 32 . 1 1 5 5 ARG HB2 H 1 1.937 0.002 . 2 . . . . . . . . 6741 2 33 . 1 1 5 5 ARG HB3 H 1 2.013 0.005 . 2 . . . . . . . . 6741 2 34 . 1 1 5 5 ARG HG2 H 1 1.667 0.004 . 1 . . . . . . . . 6741 2 35 . 1 1 5 5 ARG HG3 H 1 1.667 0.004 . 1 . . . . . . . . 6741 2 36 . 1 1 5 5 ARG HD2 H 1 3.143 0.002 . 2 . . . . . . . . 6741 2 37 . 1 1 5 5 ARG HD3 H 1 3.179 0.004 . 2 . . . . . . . . 6741 2 38 . 1 1 6 6 ALA H H 1 7.783 0.002 . 1 . . . . . . . . 6741 2 39 . 1 1 6 6 ALA HA H 1 4.072 0.003 . 1 . . . . . . . . 6741 2 40 . 1 1 6 6 ALA HB1 H 1 1.524 0.003 . 1 . . . . . . . . 6741 2 41 . 1 1 6 6 ALA HB2 H 1 1.524 0.003 . 1 . . . . . . . . 6741 2 42 . 1 1 6 6 ALA HB3 H 1 1.524 0.003 . 1 . . . . . . . . 6741 2 43 . 1 1 7 7 LEU H H 1 8.212 0.003 . 1 . . . . . . . . 6741 2 44 . 1 1 7 7 LEU HA H 1 4.132 0.003 . 1 . . . . . . . . 6741 2 45 . 1 1 7 7 LEU HB2 H 1 1.851 0.003 . 2 . . . . . . . . 6741 2 46 . 1 1 7 7 LEU HB3 H 1 1.772 0.013 . 2 . . . . . . . . 6741 2 47 . 1 1 7 7 LEU HG H 1 1.685 0.004 . 1 . . . . . . . . 6741 2 48 . 1 1 7 7 LEU HD11 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 49 . 1 1 7 7 LEU HD12 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 50 . 1 1 7 7 LEU HD13 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 51 . 1 1 7 7 LEU HD21 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 52 . 1 1 7 7 LEU HD22 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 53 . 1 1 7 7 LEU HD23 H 1 0.898 0.005 . 1 . . . . . . . . 6741 2 54 . 1 1 8 8 ILE H H 1 8.168 0.004 . 1 . . . . . . . . 6741 2 55 . 1 1 8 8 ILE HA H 1 3.741 0.003 . 1 . . . . . . . . 6741 2 56 . 1 1 8 8 ILE HB H 1 1.920 0.004 . 1 . . . . . . . . 6741 2 57 . 1 1 8 8 ILE HG12 H 1 1.197 0.003 . 1 . . . . . . . . 6741 2 58 . 1 1 8 8 ILE HG13 H 1 1.197 0.003 . 1 . . . . . . . . 6741 2 59 . 1 1 8 8 ILE HG21 H 1 0.932 0.008 . 1 . . . . . . . . 6741 2 60 . 1 1 8 8 ILE HG22 H 1 0.932 0.008 . 1 . . . . . . . . 6741 2 61 . 1 1 8 8 ILE HG23 H 1 0.932 0.008 . 1 . . . . . . . . 6741 2 62 . 1 1 8 8 ILE HD11 H 1 0.848 0.005 . 1 . . . . . . . . 6741 2 63 . 1 1 8 8 ILE HD12 H 1 0.848 0.005 . 1 . . . . . . . . 6741 2 64 . 1 1 8 8 ILE HD13 H 1 0.848 0.005 . 1 . . . . . . . . 6741 2 65 . 1 1 9 9 LYS H H 1 7.932 0.004 . 1 . . . . . . . . 6741 2 66 . 1 1 9 9 LYS HA H 1 4.090 0.006 . 1 . . . . . . . . 6741 2 67 . 1 1 9 9 LYS HB2 H 1 2.041 0.003 . 1 . . . . . . . . 6741 2 68 . 1 1 9 9 LYS HB3 H 1 1.977 0.004 . 1 . . . . . . . . 6741 2 69 . 1 1 9 9 LYS HG2 H 1 1.628 0.003 . 1 . . . . . . . . 6741 2 70 . 1 1 9 9 LYS HG3 H 1 1.628 0.003 . 1 . . . . . . . . 6741 2 71 . 1 1 9 9 LYS HD2 H 1 1.758 0.005 . 1 . . . . . . . . 6741 2 72 . 1 1 9 9 LYS HD3 H 1 1.758 0.005 . 1 . . . . . . . . 6741 2 73 . 1 1 9 9 LYS HE2 H 1 3.035 0.001 . 1 . . . . . . . . 6741 2 74 . 1 1 9 9 LYS HE3 H 1 3.035 0.001 . 1 . . . . . . . . 6741 2 75 . 1 1 9 9 LYS HZ1 H 1 7.356 0.000 . 1 . . . . . . . . 6741 2 76 . 1 1 9 9 LYS HZ2 H 1 7.356 0.000 . 1 . . . . . . . . 6741 2 77 . 1 1 9 9 LYS HZ3 H 1 7.356 0.000 . 1 . . . . . . . . 6741 2 78 . 1 1 10 10 ARG H H 1 8.603 0.003 . 1 . . . . . . . . 6741 2 79 . 1 1 10 10 ARG HA H 1 3.735 0.007 . 1 . . . . . . . . 6741 2 80 . 1 1 10 10 ARG HB2 H 1 2.015 0.004 . 1 . . . . . . . . 6741 2 81 . 1 1 10 10 ARG HB3 H 1 2.015 0.004 . 1 . . . . . . . . 6741 2 82 . 1 1 10 10 ARG HG2 H 1 1.837 0.005 . 1 . . . . . . . . 6741 2 83 . 1 1 10 10 ARG HG3 H 1 1.837 0.005 . 1 . . . . . . . . 6741 2 84 . 1 1 10 10 ARG HD2 H 1 3.161 0.003 . 1 . . . . . . . . 6741 2 85 . 1 1 10 10 ARG HD3 H 1 3.161 0.003 . 1 . . . . . . . . 6741 2 86 . 1 1 11 11 ILE H H 1 7.882 0.003 . 1 . . . . . . . . 6741 2 87 . 1 1 11 11 ILE HA H 1 4.111 0.003 . 1 . . . . . . . . 6741 2 88 . 1 1 11 11 ILE HB H 1 2.173 0.003 . 1 . . . . . . . . 6741 2 89 . 1 1 11 11 ILE HG12 H 1 1.756 0.003 . 2 . . . . . . . . 6741 2 90 . 1 1 11 11 ILE HG13 H 1 1.853 0.006 . 2 . . . . . . . . 6741 2 91 . 1 1 11 11 ILE HG21 H 1 1.131 0.004 . 1 . . . . . . . . 6741 2 92 . 1 1 11 11 ILE HG22 H 1 1.131 0.004 . 1 . . . . . . . . 6741 2 93 . 1 1 11 11 ILE HG23 H 1 1.131 0.004 . 1 . . . . . . . . 6741 2 94 . 1 1 11 11 ILE HD11 H 1 0.910 0.003 . 1 . . . . . . . . 6741 2 95 . 1 1 11 11 ILE HD12 H 1 0.910 0.003 . 1 . . . . . . . . 6741 2 96 . 1 1 11 11 ILE HD13 H 1 0.910 0.003 . 1 . . . . . . . . 6741 2 97 . 1 1 12 12 GLN H H 1 8.604 0.003 . 1 . . . . . . . . 6741 2 98 . 1 1 12 12 GLN HA H 1 3.965 0.004 . 1 . . . . . . . . 6741 2 99 . 1 1 12 12 GLN HB2 H 1 2.091 0.007 . 2 . . . . . . . . 6741 2 100 . 1 1 12 12 GLN HB3 H 1 2.338 0.005 . 2 . . . . . . . . 6741 2 101 . 1 1 12 12 GLN HG2 H 1 2.815 0.004 . 1 . . . . . . . . 6741 2 102 . 1 1 12 12 GLN HG3 H 1 2.815 0.004 . 1 . . . . . . . . 6741 2 103 . 1 1 12 12 GLN HE21 H 1 6.513 0.001 . 1 . . . . . . . . 6741 2 104 . 1 1 12 12 GLN HE22 H 1 6.318 0.004 . 1 . . . . . . . . 6741 2 105 . 1 1 13 13 ALA H H 1 7.800 0.002 . 1 . . . . . . . . 6741 2 106 . 1 1 13 13 ALA HA H 1 4.224 0.003 . 1 . . . . . . . . 6741 2 107 . 1 1 13 13 ALA HB1 H 1 1.621 0.001 . 1 . . . . . . . . 6741 2 108 . 1 1 13 13 ALA HB2 H 1 1.621 0.001 . 1 . . . . . . . . 6741 2 109 . 1 1 13 13 ALA HB3 H 1 1.621 0.001 . 1 . . . . . . . . 6741 2 110 . 1 1 14 14 MET H H 1 8.020 0.004 . 1 . . . . . . . . 6741 2 111 . 1 1 14 14 MET HA H 1 4.421 0.005 . 1 . . . . . . . . 6741 2 112 . 1 1 14 14 MET HB2 H 1 2.233 0.002 . 1 . . . . . . . . 6741 2 113 . 1 1 14 14 MET HB3 H 1 2.335 0.003 . 1 . . . . . . . . 6741 2 114 . 1 1 14 14 MET HG2 H 1 2.820 0.004 . 1 . . . . . . . . 6741 2 115 . 1 1 14 14 MET HG3 H 1 2.687 0.003 . 1 . . . . . . . . 6741 2 116 . 1 1 14 14 MET HE1 H 1 1.819 0.000 . 1 . . . . . . . . 6741 2 117 . 1 1 14 14 MET HE2 H 1 1.819 0.000 . 1 . . . . . . . . 6741 2 118 . 1 1 14 14 MET HE3 H 1 1.819 0.000 . 1 . . . . . . . . 6741 2 119 . 1 1 15 15 ILE H H 1 7.730 0.005 . 1 . . . . . . . . 6741 2 120 . 1 1 15 15 ILE HA H 1 4.219 0.002 . 1 . . . . . . . . 6741 2 121 . 1 1 15 15 ILE HB H 1 1.968 0.004 . 1 . . . . . . . . 6741 2 122 . 1 1 15 15 ILE HG12 H 1 1.346 0.005 . 1 . . . . . . . . 6741 2 123 . 1 1 15 15 ILE HG13 H 1 1.346 0.005 . 1 . . . . . . . . 6741 2 124 . 1 1 15 15 ILE HG21 H 1 1.030 0.004 . 1 . . . . . . . . 6741 2 125 . 1 1 15 15 ILE HG22 H 1 1.030 0.004 . 1 . . . . . . . . 6741 2 126 . 1 1 15 15 ILE HG23 H 1 1.030 0.004 . 1 . . . . . . . . 6741 2 127 . 1 1 15 15 ILE HD11 H 1 0.926 0.005 . 1 . . . . . . . . 6741 2 128 . 1 1 15 15 ILE HD12 H 1 0.926 0.005 . 1 . . . . . . . . 6741 2 129 . 1 1 15 15 ILE HD13 H 1 0.926 0.005 . 1 . . . . . . . . 6741 2 130 . 1 1 16 16 PRO HA H 1 4.467 0.002 . 1 . . . . . . . . 6741 2 131 . 1 1 16 16 PRO HB2 H 1 2.350 0.003 . 1 . . . . . . . . 6741 2 132 . 1 1 16 16 PRO HB3 H 1 1.981 0.005 . 1 . . . . . . . . 6741 2 133 . 1 1 16 16 PRO HG2 H 1 2.157 0.004 . 1 . . . . . . . . 6741 2 134 . 1 1 16 16 PRO HG3 H 1 2.052 0.003 . 1 . . . . . . . . 6741 2 135 . 1 1 16 16 PRO HD2 H 1 4.008 0.003 . 1 . . . . . . . . 6741 2 136 . 1 1 16 16 PRO HD3 H 1 3.671 0.004 . 1 . . . . . . . . 6741 2 137 . 1 1 17 17 LYS H H 1 8.078 0.004 . 1 . . . . . . . . 6741 2 138 . 1 1 17 17 LYS HA H 1 4.400 0.001 . 1 . . . . . . . . 6741 2 139 . 1 1 17 17 LYS HB2 H 1 1.987 0.000 . 1 . . . . . . . . 6741 2 140 . 1 1 17 17 LYS HB3 H 1 1.987 0.000 . 1 . . . . . . . . 6741 2 141 . 1 1 17 17 LYS HG2 H 1 1.629 0.000 . 1 . . . . . . . . 6741 2 142 . 1 1 17 17 LYS HG3 H 1 1.629 0.000 . 1 . . . . . . . . 6741 2 143 . 1 1 17 17 LYS HD2 H 1 1.722 0.002 . 1 . . . . . . . . 6741 2 144 . 1 1 17 17 LYS HD3 H 1 1.722 0.002 . 1 . . . . . . . . 6741 2 145 . 1 1 17 17 LYS HE2 H 1 3.095 0.004 . 1 . . . . . . . . 6741 2 146 . 1 1 17 17 LYS HE3 H 1 3.095 0.004 . 1 . . . . . . . . 6741 2 147 . 1 1 18 18 GLY H H 1 8.091 0.004 . 1 . . . . . . . . 6741 2 148 . 1 1 18 18 GLY HA2 H 1 3.984 0.000 . 1 . . . . . . . . 6741 2 149 . 1 1 18 18 GLY HA3 H 1 3.984 0.000 . 1 . . . . . . . . 6741 2 150 . 1 1 19 19 GLY H H 1 8.125 0.003 . 1 . . . . . . . . 6741 2 151 . 1 1 19 19 GLY HA2 H 1 3.990 0.002 . 1 . . . . . . . . 6741 2 152 . 1 1 19 19 GLY HA3 H 1 3.933 0.001 . 1 . . . . . . . . 6741 2 153 . 1 1 20 20 ARG H H 1 7.832 0.004 . 1 . . . . . . . . 6741 2 154 . 1 1 20 20 ARG HA H 1 4.362 0.004 . 1 . . . . . . . . 6741 2 155 . 1 1 20 20 ARG HB2 H 1 1.890 0.006 . 2 . . . . . . . . 6741 2 156 . 1 1 20 20 ARG HB3 H 1 1.961 0.002 . 2 . . . . . . . . 6741 2 157 . 1 1 20 20 ARG HG2 H 1 1.774 0.002 . 2 . . . . . . . . 6741 2 158 . 1 1 20 20 ARG HG3 H 1 1.915 0.004 . 2 . . . . . . . . 6741 2 159 . 1 1 20 20 ARG HD2 H 1 3.208 0.002 . 2 . . . . . . . . 6741 2 160 . 1 1 20 20 ARG HD3 H 1 3.275 0.001 . 2 . . . . . . . . 6741 2 161 . 1 1 20 20 ARG HE H 1 7.211 0.004 . 1 . . . . . . . . 6741 2 162 . 1 1 21 21 MET H H 1 7.988 0.003 . 1 . . . . . . . . 6741 2 163 . 1 1 21 21 MET HA H 1 4.616 0.002 . 1 . . . . . . . . 6741 2 164 . 1 1 21 21 MET HB2 H 1 2.137 0.006 . 1 . . . . . . . . 6741 2 165 . 1 1 21 21 MET HB3 H 1 2.137 0.006 . 1 . . . . . . . . 6741 2 166 . 1 1 21 21 MET HG2 H 1 2.636 0.003 . 2 . . . . . . . . 6741 2 167 . 1 1 21 21 MET HG3 H 1 2.570 0.004 . 2 . . . . . . . . 6741 2 168 . 1 1 22 22 LEU H H 1 7.568 0.003 . 1 . . . . . . . . 6741 2 169 . 1 1 22 22 LEU HA H 1 4.545 0.004 . 1 . . . . . . . . 6741 2 170 . 1 1 22 22 LEU HB2 H 1 1.827 0.001 . 1 . . . . . . . . 6741 2 171 . 1 1 22 22 LEU HB3 H 1 1.827 0.001 . 1 . . . . . . . . 6741 2 172 . 1 1 22 22 LEU HG H 1 1.767 0.008 . 1 . . . . . . . . 6741 2 173 . 1 1 22 22 LEU HD11 H 1 1.022 0.002 . 1 . . . . . . . . 6741 2 174 . 1 1 22 22 LEU HD12 H 1 1.022 0.002 . 1 . . . . . . . . 6741 2 175 . 1 1 22 22 LEU HD13 H 1 1.022 0.002 . 1 . . . . . . . . 6741 2 176 . 1 1 22 22 LEU HD21 H 1 0.989 0.004 . 1 . . . . . . . . 6741 2 177 . 1 1 22 22 LEU HD22 H 1 0.989 0.004 . 1 . . . . . . . . 6741 2 178 . 1 1 22 22 LEU HD23 H 1 0.989 0.004 . 1 . . . . . . . . 6741 2 179 . 1 1 23 23 PRO HA H 1 4.238 0.004 . 1 . . . . . . . . 6741 2 180 . 1 1 23 23 PRO HB2 H 1 2.369 0.003 . 1 . . . . . . . . 6741 2 181 . 1 1 23 23 PRO HB3 H 1 2.163 0.011 . 1 . . . . . . . . 6741 2 182 . 1 1 23 23 PRO HG2 H 1 2.021 0.004 . 1 . . . . . . . . 6741 2 183 . 1 1 23 23 PRO HG3 H 1 1.836 0.000 . 1 . . . . . . . . 6741 2 184 . 1 1 23 23 PRO HD2 H 1 3.803 0.002 . 1 . . . . . . . . 6741 2 185 . 1 1 23 23 PRO HD3 H 1 3.803 0.002 . 1 . . . . . . . . 6741 2 186 . 1 1 24 24 GLN H H 1 8.078 0.005 . 1 . . . . . . . . 6741 2 187 . 1 1 24 24 GLN HA H 1 4.068 0.003 . 1 . . . . . . . . 6741 2 188 . 1 1 24 24 GLN HB2 H 1 2.172 0.008 . 1 . . . . . . . . 6741 2 189 . 1 1 24 24 GLN HB3 H 1 2.172 0.008 . 1 . . . . . . . . 6741 2 190 . 1 1 24 24 GLN HG2 H 1 2.485 0.001 . 1 . . . . . . . . 6741 2 191 . 1 1 24 24 GLN HG3 H 1 2.485 0.001 . 1 . . . . . . . . 6741 2 192 . 1 1 24 24 GLN HE21 H 1 7.008 0.003 . 1 . . . . . . . . 6741 2 193 . 1 1 24 24 GLN HE22 H 1 6.365 0.002 . 1 . . . . . . . . 6741 2 194 . 1 1 25 25 LEU H H 1 7.772 0.005 . 1 . . . . . . . . 6741 2 195 . 1 1 25 25 LEU HA H 1 4.285 0.005 . 1 . . . . . . . . 6741 2 196 . 1 1 25 25 LEU HB2 H 1 1.872 0.003 . 1 . . . . . . . . 6741 2 197 . 1 1 25 25 LEU HB3 H 1 1.839 0.000 . 1 . . . . . . . . 6741 2 198 . 1 1 25 25 LEU HG H 1 1.706 0.005 . 1 . . . . . . . . 6741 2 199 . 1 1 25 25 LEU HD11 H 1 0.990 0.002 . 1 . . . . . . . . 6741 2 200 . 1 1 25 25 LEU HD12 H 1 0.990 0.002 . 1 . . . . . . . . 6741 2 201 . 1 1 25 25 LEU HD13 H 1 0.990 0.002 . 1 . . . . . . . . 6741 2 202 . 1 1 25 25 LEU HD21 H 1 0.943 0.005 . 1 . . . . . . . . 6741 2 203 . 1 1 25 25 LEU HD22 H 1 0.943 0.005 . 1 . . . . . . . . 6741 2 204 . 1 1 25 25 LEU HD23 H 1 0.943 0.005 . 1 . . . . . . . . 6741 2 205 . 1 1 26 26 VAL H H 1 8.294 0.005 . 1 . . . . . . . . 6741 2 206 . 1 1 26 26 VAL HA H 1 3.625 0.004 . 1 . . . . . . . . 6741 2 207 . 1 1 26 26 VAL HB H 1 2.127 0.004 . 1 . . . . . . . . 6741 2 208 . 1 1 26 26 VAL HG11 H 1 1.082 0.003 . 2 . . . . . . . . 6741 2 209 . 1 1 26 26 VAL HG12 H 1 1.082 0.003 . 2 . . . . . . . . 6741 2 210 . 1 1 26 26 VAL HG13 H 1 1.082 0.003 . 2 . . . . . . . . 6741 2 211 . 1 1 26 26 VAL HG21 H 1 0.987 0.002 . 2 . . . . . . . . 6741 2 212 . 1 1 26 26 VAL HG22 H 1 0.987 0.002 . 2 . . . . . . . . 6741 2 213 . 1 1 26 26 VAL HG23 H 1 0.987 0.002 . 2 . . . . . . . . 6741 2 214 . 1 1 27 27 CYS H H 1 8.309 0.009 . 1 . . . . . . . . 6741 2 215 . 1 1 27 27 CYS HA H 1 4.473 0.008 . 1 . . . . . . . . 6741 2 216 . 1 1 27 27 CYS HB2 H 1 3.272 0.004 . 1 . . . . . . . . 6741 2 217 . 1 1 27 27 CYS HB3 H 1 3.272 0.004 . 1 . . . . . . . . 6741 2 218 . 1 1 28 28 ARG H H 1 8.080 0.005 . 1 . . . . . . . . 6741 2 219 . 1 1 28 28 ARG HA H 1 4.401 0.005 . 1 . . . . . . . . 6741 2 220 . 1 1 28 28 ARG HB2 H 1 1.883 0.005 . 2 . . . . . . . . 6741 2 221 . 1 1 28 28 ARG HB3 H 1 1.987 0.001 . 2 . . . . . . . . 6741 2 222 . 1 1 28 28 ARG HG2 H 1 1.559 0.008 . 2 . . . . . . . . 6741 2 223 . 1 1 28 28 ARG HG3 H 1 1.630 0.005 . 2 . . . . . . . . 6741 2 224 . 1 1 28 28 ARG HD2 H 1 3.085 0.003 . 1 . . . . . . . . 6741 2 225 . 1 1 28 28 ARG HD3 H 1 3.085 0.003 . 1 . . . . . . . . 6741 2 226 . 1 1 29 29 LEU H H 1 8.477 0.004 . 1 . . . . . . . . 6741 2 227 . 1 1 29 29 LEU HA H 1 4.396 0.000 . 1 . . . . . . . . 6741 2 228 . 1 1 29 29 LEU HB2 H 1 1.824 0.000 . 2 . . . . . . . . 6741 2 229 . 1 1 29 29 LEU HB3 H 1 1.987 0.001 . 2 . . . . . . . . 6741 2 230 . 1 1 29 29 LEU HG H 1 1.627 0.003 . 1 . . . . . . . . 6741 2 231 . 1 1 29 29 LEU HD11 H 1 0.949 0.000 . 2 . . . . . . . . 6741 2 232 . 1 1 29 29 LEU HD12 H 1 0.949 0.000 . 2 . . . . . . . . 6741 2 233 . 1 1 29 29 LEU HD13 H 1 0.949 0.000 . 2 . . . . . . . . 6741 2 234 . 1 1 29 29 LEU HD21 H 1 0.916 0.000 . 2 . . . . . . . . 6741 2 235 . 1 1 29 29 LEU HD22 H 1 0.916 0.000 . 2 . . . . . . . . 6741 2 236 . 1 1 29 29 LEU HD23 H 1 0.916 0.000 . 2 . . . . . . . . 6741 2 237 . 1 1 30 30 VAL H H 1 7.935 0.004 . 1 . . . . . . . . 6741 2 238 . 1 1 30 30 VAL HA H 1 4.356 0.005 . 1 . . . . . . . . 6741 2 239 . 1 1 30 30 VAL HB H 1 2.455 0.002 . 1 . . . . . . . . 6741 2 240 . 1 1 30 30 VAL HG11 H 1 1.022 0.003 . 1 . . . . . . . . 6741 2 241 . 1 1 30 30 VAL HG12 H 1 1.022 0.003 . 1 . . . . . . . . 6741 2 242 . 1 1 30 30 VAL HG13 H 1 1.022 0.003 . 1 . . . . . . . . 6741 2 243 . 1 1 30 30 VAL HG21 H 1 0.987 0.003 . 1 . . . . . . . . 6741 2 244 . 1 1 30 30 VAL HG22 H 1 0.987 0.003 . 1 . . . . . . . . 6741 2 245 . 1 1 30 30 VAL HG23 H 1 0.987 0.003 . 1 . . . . . . . . 6741 2 246 . 1 1 31 31 LEU H H 1 7.840 0.007 . 1 . . . . . . . . 6741 2 247 . 1 1 31 31 LEU HA H 1 4.365 0.003 . 1 . . . . . . . . 6741 2 248 . 1 1 31 31 LEU HB2 H 1 2.103 0.008 . 1 . . . . . . . . 6741 2 249 . 1 1 31 31 LEU HB3 H 1 2.103 0.008 . 1 . . . . . . . . 6741 2 250 . 1 1 31 31 LEU HG H 1 1.590 0.005 . 1 . . . . . . . . 6741 2 251 . 1 1 31 31 LEU HD11 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 252 . 1 1 31 31 LEU HD12 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 253 . 1 1 31 31 LEU HD13 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 254 . 1 1 31 31 LEU HD21 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 255 . 1 1 31 31 LEU HD22 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 256 . 1 1 31 31 LEU HD23 H 1 0.947 0.003 . 1 . . . . . . . . 6741 2 257 . 1 1 32 32 ARG H H 1 7.775 0.005 . 1 . . . . . . . . 6741 2 258 . 1 1 32 32 ARG HA H 1 4.507 0.003 . 1 . . . . . . . . 6741 2 259 . 1 1 32 32 ARG HB2 H 1 1.896 0.005 . 2 . . . . . . . . 6741 2 260 . 1 1 32 32 ARG HB3 H 1 2.021 0.002 . 2 . . . . . . . . 6741 2 261 . 1 1 32 32 ARG HG2 H 1 1.706 0.004 . 1 . . . . . . . . 6741 2 262 . 1 1 32 32 ARG HG3 H 1 1.674 0.000 . 1 . . . . . . . . 6741 2 263 . 1 1 32 32 ARG HD2 H 1 3.234 0.004 . 1 . . . . . . . . 6741 2 264 . 1 1 32 32 ARG HD3 H 1 3.234 0.004 . 1 . . . . . . . . 6741 2 265 . 1 1 32 32 ARG HE H 1 7.146 0.003 . 1 . . . . . . . . 6741 2 266 . 1 1 33 33 CYS H H 1 8.303 0.007 . 1 . . . . . . . . 6741 2 267 . 1 1 33 33 CYS HA H 1 4.631 0.001 . 1 . . . . . . . . 6741 2 268 . 1 1 33 33 CYS HB2 H 1 3.189 0.007 . 2 . . . . . . . . 6741 2 269 . 1 1 33 33 CYS HB3 H 1 3.272 0.002 . 2 . . . . . . . . 6741 2 270 . 1 1 34 34 SER H H 1 7.914 0.005 . 1 . . . . . . . . 6741 2 271 . 1 1 34 34 SER HA H 1 4.300 0.002 . 1 . . . . . . . . 6741 2 272 . 1 1 34 34 SER HB2 H 1 3.917 0.005 . 1 . . . . . . . . 6741 2 273 . 1 1 34 34 SER HB3 H 1 3.917 0.005 . 1 . . . . . . . . 6741 2 stop_ save_