################################### # 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 5767 _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 '2D TOCSY' 1 $sample_1 . 5767 1 2 '2D NOESY' 1 $sample_1 . 5767 1 3 DQF-COSY 1 $sample_1 . 5767 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.Ambiguity_set_ID _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 LYS HA H 1 4.178 0.000 . 1 . . . . . . . . . 5767 1 2 . 1 1 1 1 LYS HB2 H 1 1.832 0.010 . 2 . . . . . . . . . 5767 1 3 . 1 1 1 1 LYS HB3 H 1 1.937 0.003 . 2 . . . . . . . . . 5767 1 4 . 1 1 1 1 LYS HG2 H 1 1.308 0.002 . 2 . . . . . . . . . 5767 1 5 . 1 1 1 1 LYS HG3 H 1 1.403 0.001 . 2 . . . . . . . . . 5767 1 6 . 1 1 1 1 LYS HD2 H 1 1.524 0.002 . 2 . . . . . . . . . 5767 1 7 . 1 1 1 1 LYS HD3 H 1 1.575 0.001 . 2 . . . . . . . . . 5767 1 8 . 1 1 1 1 LYS HE2 H 1 3.069 0.002 . 2 . . . . . . . . . 5767 1 9 . 1 1 1 1 LYS HZ1 H 1 7.555 0.000 . 2 . . . . . . . . . 5767 1 10 . 1 1 1 1 LYS HZ2 H 1 7.555 0.000 . 2 . . . . . . . . . 5767 1 11 . 1 1 1 1 LYS HZ3 H 1 7.555 0.000 . 2 . . . . . . . . . 5767 1 12 . 1 1 2 2 SER H H 1 8.911 0.001 . 1 . . . . . . . . . 5767 1 13 . 1 1 2 2 SER HA H 1 4.982 0.000 . 1 . . . . . . . . . 5767 1 14 . 1 1 2 2 SER HB2 H 1 2.836 0.000 . 2 . . . . . . . . . 5767 1 15 . 1 1 2 2 SER HB3 H 1 3.772 0.000 . 2 . . . . . . . . . 5767 1 16 . 1 1 3 3 CYS H H 1 9.085 0.000 . 1 . . . . . . . . . 5767 1 17 . 1 1 3 3 CYS HA H 1 5.011 0.000 . 1 . . . . . . . . . 5767 1 18 . 1 1 3 3 CYS HB2 H 1 2.244 0.001 . 2 . . . . . . . . . 5767 1 19 . 1 1 3 3 CYS HB3 H 1 4.418 0.000 . 2 . . . . . . . . . 5767 1 20 . 1 1 4 4 CYS H H 1 9.419 0.000 . 1 . . . . . . . . . 5767 1 21 . 1 1 4 4 CYS HA H 1 5.272 0.001 . 1 . . . . . . . . . 5767 1 22 . 1 1 4 4 CYS HB2 H 1 2.672 0.001 . 2 . . . . . . . . . 5767 1 23 . 1 1 4 4 CYS HB3 H 1 2.701 0.001 . 2 . . . . . . . . . 5767 1 24 . 1 1 5 5 PRO HA H 1 4.418 0.000 . 1 . . . . . . . . . 5767 1 25 . 1 1 5 5 PRO HB2 H 1 2.068 0.000 . 2 . . . . . . . . . 5767 1 26 . 1 1 5 5 PRO HB3 H 1 2.017 0.000 . 2 . . . . . . . . . 5767 1 27 . 1 1 5 5 PRO HG2 H 1 2.260 0.000 . 2 . . . . . . . . . 5767 1 28 . 1 1 5 5 PRO HD2 H 1 3.810 0.000 . 2 . . . . . . . . . 5767 1 29 . 1 1 5 5 PRO HD3 H 1 3.985 0.000 . 2 . . . . . . . . . 5767 1 30 . 1 1 6 6 ASN H H 1 6.941 0.000 . 1 . . . . . . . . . 5767 1 31 . 1 1 6 6 ASN HA H 1 4.546 0.000 . 1 . . . . . . . . . 5767 1 32 . 1 1 6 6 ASN HB2 H 1 3.303 0.001 . 2 . . . . . . . . . 5767 1 33 . 1 1 6 6 ASN HD21 H 1 7.867 0.000 . 2 . . . . . . . . . 5767 1 34 . 1 1 6 6 ASN HD22 H 1 6.990 0.002 . 2 . . . . . . . . . 5767 1 35 . 1 1 7 7 THR H H 1 9.031 0.000 . 1 . . . . . . . . . 5767 1 36 . 1 1 7 7 THR HA H 1 3.894 0.000 . 1 . . . . . . . . . 5767 1 37 . 1 1 7 7 THR HB H 1 4.173 0.000 . 1 . . . . . . . . . 5767 1 38 . 1 1 7 7 THR HG21 H 1 1.300 0.000 . 1 . . . . . . . . . 5767 1 39 . 1 1 7 7 THR HG22 H 1 1.300 0.000 . 1 . . . . . . . . . 5767 1 40 . 1 1 7 7 THR HG23 H 1 1.300 0.000 . 1 . . . . . . . . . 5767 1 41 . 1 1 8 8 THR H H 1 8.204 0.000 . 1 . . . . . . . . . 5767 1 42 . 1 1 8 8 THR HA H 1 3.984 0.000 . 1 . . . . . . . . . 5767 1 43 . 1 1 8 8 THR HB H 1 4.090 0.000 . 1 . . . . . . . . . 5767 1 44 . 1 1 8 8 THR HG21 H 1 1.293 0.000 . 1 . . . . . . . . . 5767 1 45 . 1 1 8 8 THR HG22 H 1 1.293 0.000 . 1 . . . . . . . . . 5767 1 46 . 1 1 8 8 THR HG23 H 1 1.293 0.000 . 1 . . . . . . . . . 5767 1 47 . 1 1 9 9 GLY H H 1 8.668 0.000 . 1 . . . . . . . . . 5767 1 48 . 1 1 9 9 GLY HA3 H 1 3.585 0.000 . 2 . . . . . . . . . 5767 1 49 . 1 1 9 9 GLY HA2 H 1 4.054 0.000 . 2 . . . . . . . . . 5767 1 50 . 1 1 10 10 ARG H H 1 7.676 0.000 . 1 . . . . . . . . . 5767 1 51 . 1 1 10 10 ARG HA H 1 4.580 0.000 . 1 . . . . . . . . . 5767 1 52 . 1 1 10 10 ARG HB2 H 1 2.144 0.001 . 2 . . . . . . . . . 5767 1 53 . 1 1 10 10 ARG HG2 H 1 1.697 0.001 . 2 . . . . . . . . . 5767 1 54 . 1 1 10 10 ARG HG3 H 1 1.925 0.000 . 2 . . . . . . . . . 5767 1 55 . 1 1 10 10 ARG HD2 H 1 3.329 0.000 . 2 . . . . . . . . . 5767 1 56 . 1 1 10 10 ARG HD3 H 1 3.483 0.000 . 2 . . . . . . . . . 5767 1 57 . 1 1 10 10 ARG HE H 1 8.806 0.000 . 1 . . . . . . . . . 5767 1 58 . 1 1 11 11 ASN H H 1 8.459 0.000 . 1 . . . . . . . . . 5767 1 59 . 1 1 11 11 ASN HA H 1 4.607 0.000 . 1 . . . . . . . . . 5767 1 60 . 1 1 11 11 ASN HB2 H 1 2.970 0.000 . 2 . . . . . . . . . 5767 1 61 . 1 1 11 11 ASN HB3 H 1 3.063 0.000 . 2 . . . . . . . . . 5767 1 62 . 1 1 11 11 ASN HD21 H 1 7.685 0.000 . 2 . . . . . . . . . 5767 1 63 . 1 1 11 11 ASN HD22 H 1 6.946 0.000 . 2 . . . . . . . . . 5767 1 64 . 1 1 12 12 ILE H H 1 8.508 0.000 . 1 . . . . . . . . . 5767 1 65 . 1 1 12 12 ILE HA H 1 3.688 0.000 . 1 . . . . . . . . . 5767 1 66 . 1 1 12 12 ILE HB H 1 1.858 0.000 . 1 . . . . . . . . . 5767 1 67 . 1 1 12 12 ILE HG21 H 1 0.862 0.000 . 1 . . . . . . . . . 5767 1 68 . 1 1 12 12 ILE HG22 H 1 0.862 0.000 . 1 . . . . . . . . . 5767 1 69 . 1 1 12 12 ILE HG23 H 1 0.862 0.000 . 1 . . . . . . . . . 5767 1 70 . 1 1 12 12 ILE HG12 H 1 1.107 0.000 . 2 . . . . . . . . . 5767 1 71 . 1 1 12 12 ILE HG13 H 1 1.950 0.000 . 2 . . . . . . . . . 5767 1 72 . 1 1 12 12 ILE HD11 H 1 0.923 0.003 . 1 . . . . . . . . . 5767 1 73 . 1 1 12 12 ILE HD12 H 1 0.923 0.003 . 1 . . . . . . . . . 5767 1 74 . 1 1 12 12 ILE HD13 H 1 0.923 0.003 . 1 . . . . . . . . . 5767 1 75 . 1 1 13 13 TYR H H 1 8.982 0.000 . 1 . . . . . . . . . 5767 1 76 . 1 1 13 13 TYR HA H 1 3.668 0.000 . 1 . . . . . . . . . 5767 1 77 . 1 1 13 13 TYR HB2 H 1 3.130 0.000 . 2 . . . . . . . . . 5767 1 78 . 1 1 13 13 TYR HE1 H 1 6.830 0.001 . 3 . . . . . . . . . 5767 1 79 . 1 1 13 13 TYR HD1 H 1 6.888 0.001 . 3 . . . . . . . . . 5767 1 80 . 1 1 14 14 ASN H H 1 9.011 0.000 . 1 . . . . . . . . . 5767 1 81 . 1 1 14 14 ASN HA H 1 4.191 0.000 . 1 . . . . . . . . . 5767 1 82 . 1 1 14 14 ASN HB2 H 1 2.743 0.000 . 2 . . . . . . . . . 5767 1 83 . 1 1 14 14 ASN HB3 H 1 3.084 0.000 . 2 . . . . . . . . . 5767 1 84 . 1 1 14 14 ASN HD21 H 1 6.975 0.000 . 2 . . . . . . . . . 5767 1 85 . 1 1 14 14 ASN HD22 H 1 7.792 0.000 . 2 . . . . . . . . . 5767 1 86 . 1 1 15 15 THR H H 1 8.362 0.000 . 1 . . . . . . . . . 5767 1 87 . 1 1 15 15 THR HA H 1 3.948 0.000 . 1 . . . . . . . . . 5767 1 88 . 1 1 15 15 THR HB H 1 4.245 0.000 . 1 . . . . . . . . . 5767 1 89 . 1 1 15 15 THR HG21 H 1 1.282 0.000 . 1 . . . . . . . . . 5767 1 90 . 1 1 15 15 THR HG22 H 1 1.282 0.000 . 1 . . . . . . . . . 5767 1 91 . 1 1 15 15 THR HG23 H 1 1.282 0.000 . 1 . . . . . . . . . 5767 1 92 . 1 1 16 16 CYS H H 1 8.043 0.000 . 1 . . . . . . . . . 5767 1 93 . 1 1 16 16 CYS HA H 1 4.204 0.000 . 1 . . . . . . . . . 5767 1 94 . 1 1 16 16 CYS HB2 H 1 3.017 0.000 . 2 . . . . . . . . . 5767 1 95 . 1 1 16 16 CYS HB3 H 1 3.285 0.001 . 2 . . . . . . . . . 5767 1 96 . 1 1 17 17 ARG H H 1 8.573 0.000 . 1 . . . . . . . . . 5767 1 97 . 1 1 17 17 ARG HA H 1 4.011 0.000 . 1 . . . . . . . . . 5767 1 98 . 1 1 17 17 ARG HB2 H 1 1.631 0.000 . 2 . . . . . . . . . 5767 1 99 . 1 1 17 17 ARG HB3 H 1 1.786 0.000 . 2 . . . . . . . . . 5767 1 100 . 1 1 17 17 ARG HG2 H 1 0.892 0.000 . 2 . . . . . . . . . 5767 1 101 . 1 1 17 17 ARG HG3 H 1 1.175 0.000 . 2 . . . . . . . . . 5767 1 102 . 1 1 17 17 ARG HD2 H 1 2.472 0.003 . 2 . . . . . . . . . 5767 1 103 . 1 1 17 17 ARG HD3 H 1 3.026 0.000 . 2 . . . . . . . . . 5767 1 104 . 1 1 17 17 ARG HE H 1 7.233 0.000 . 1 . . . . . . . . . 5767 1 105 . 1 1 17 17 ARG HH11 H 1 6.596 0.001 . 2 . . . . . . . . . 5767 1 106 . 1 1 17 17 ARG HH12 H 1 7.042 0.000 . 2 . . . . . . . . . 5767 1 107 . 1 1 18 18 PHE H H 1 8.718 0.000 . 1 . . . . . . . . . 5767 1 108 . 1 1 18 18 PHE HA H 1 4.391 0.000 . 1 . . . . . . . . . 5767 1 109 . 1 1 18 18 PHE HB2 H 1 3.263 0.000 . 2 . . . . . . . . . 5767 1 110 . 1 1 18 18 PHE HD1 H 1 7.290 0.000 . 3 . . . . . . . . . 5767 1 111 . 1 1 18 18 PHE HE1 H 1 7.335 0.000 . 3 . . . . . . . . . 5767 1 112 . 1 1 19 19 ALA H H 1 7.423 0.000 . 1 . . . . . . . . . 5767 1 113 . 1 1 19 19 ALA HA H 1 4.379 0.000 . 1 . . . . . . . . . 5767 1 114 . 1 1 19 19 ALA HB1 H 1 1.569 0.000 . 1 . . . . . . . . . 5767 1 115 . 1 1 19 19 ALA HB2 H 1 1.569 0.000 . 1 . . . . . . . . . 5767 1 116 . 1 1 19 19 ALA HB3 H 1 1.569 0.000 . 1 . . . . . . . . . 5767 1 117 . 1 1 20 20 GLY H H 1 7.800 0.000 . 1 . . . . . . . . . 5767 1 118 . 1 1 20 20 GLY HA2 H 1 4.365 0.000 . 2 . . . . . . . . . 5767 1 119 . 1 1 20 20 GLY HA3 H 1 3.698 0.000 . 2 . . . . . . . . . 5767 1 120 . 1 1 21 21 GLY H H 1 8.251 0.001 . 1 . . . . . . . . . 5767 1 121 . 1 1 21 21 GLY HA2 H 1 4.109 0.000 . 2 . . . . . . . . . 5767 1 122 . 1 1 21 21 GLY HA3 H 1 3.441 0.000 . 2 . . . . . . . . . 5767 1 123 . 1 1 22 22 SER H H 1 8.568 0.000 . 1 . . . . . . . . . 5767 1 124 . 1 1 22 22 SER HA H 1 4.345 0.000 . 1 . . . . . . . . . 5767 1 125 . 1 1 22 22 SER HB2 H 1 4.116 0.000 . 2 . . . . . . . . . 5767 1 126 . 1 1 22 22 SER HB3 H 1 4.412 0.000 . 2 . . . . . . . . . 5767 1 127 . 1 1 23 23 ARG H H 1 9.107 0.000 . 1 . . . . . . . . . 5767 1 128 . 1 1 23 23 ARG HA H 1 3.834 0.000 . 1 . . . . . . . . . 5767 1 129 . 1 1 23 23 ARG HB2 H 1 1.723 0.000 . 2 . . . . . . . . . 5767 1 130 . 1 1 23 23 ARG HB3 H 1 1.760 0.000 . 2 . . . . . . . . . 5767 1 131 . 1 1 23 23 ARG HG2 H 1 1.621 0.000 . 2 . . . . . . . . . 5767 1 132 . 1 1 23 23 ARG HG3 H 1 1.869 0.000 . 2 . . . . . . . . . 5767 1 133 . 1 1 23 23 ARG HD2 H 1 3.048 0.000 . 2 . . . . . . . . . 5767 1 134 . 1 1 23 23 ARG HD3 H 1 3.263 0.000 . 2 . . . . . . . . . 5767 1 135 . 1 1 23 23 ARG HE H 1 7.738 0.000 . 1 . . . . . . . . . 5767 1 136 . 1 1 24 24 GLU H H 1 8.686 0.000 . 1 . . . . . . . . . 5767 1 137 . 1 1 24 24 GLU HA H 1 3.981 0.000 . 1 . . . . . . . . . 5767 1 138 . 1 1 24 24 GLU HB2 H 1 1.950 0.000 . 2 . . . . . . . . . 5767 1 139 . 1 1 24 24 GLU HB3 H 1 2.065 0.000 . 2 . . . . . . . . . 5767 1 140 . 1 1 24 24 GLU HG2 H 1 2.346 0.000 . 2 . . . . . . . . . 5767 1 141 . 1 1 24 24 GLU HG3 H 1 2.452 0.000 . 2 . . . . . . . . . 5767 1 142 . 1 1 25 25 ARG H H 1 8.039 0.000 . 1 . . . . . . . . . 5767 1 143 . 1 1 25 25 ARG HA H 1 4.030 0.001 . 1 . . . . . . . . . 5767 1 144 . 1 1 25 25 ARG HB2 H 1 1.827 0.000 . 2 . . . . . . . . . 5767 1 145 . 1 1 25 25 ARG HB3 H 1 1.876 0.000 . 2 . . . . . . . . . 5767 1 146 . 1 1 25 25 ARG HG2 H 1 1.471 0.000 . 2 . . . . . . . . . 5767 1 147 . 1 1 25 25 ARG HG3 H 1 1.635 0.000 . 2 . . . . . . . . . 5767 1 148 . 1 1 25 25 ARG HD2 H 1 3.141 0.000 . 2 . . . . . . . . . 5767 1 149 . 1 1 25 25 ARG HD3 H 1 3.262 0.000 . 2 . . . . . . . . . 5767 1 150 . 1 1 25 25 ARG HE H 1 7.387 0.000 . 1 . . . . . . . . . 5767 1 151 . 1 1 26 26 CYS H H 1 8.752 0.000 . 1 . . . . . . . . . 5767 1 152 . 1 1 26 26 CYS HA H 1 4.654 0.000 . 1 . . . . . . . . . 5767 1 153 . 1 1 26 26 CYS HB2 H 1 2.357 0.000 . 2 . . . . . . . . . 5767 1 154 . 1 1 26 26 CYS HB3 H 1 2.706 0.000 . 2 . . . . . . . . . 5767 1 155 . 1 1 27 27 ALA H H 1 9.376 0.000 . 1 . . . . . . . . . 5767 1 156 . 1 1 27 27 ALA HA H 1 3.946 0.001 . 1 . . . . . . . . . 5767 1 157 . 1 1 27 27 ALA HB1 H 1 1.518 0.001 . 1 . . . . . . . . . 5767 1 158 . 1 1 27 27 ALA HB2 H 1 1.518 0.001 . 1 . . . . . . . . . 5767 1 159 . 1 1 27 27 ALA HB3 H 1 1.518 0.001 . 1 . . . . . . . . . 5767 1 160 . 1 1 28 28 LYS H H 1 7.531 0.000 . 1 . . . . . . . . . 5767 1 161 . 1 1 28 28 LYS HA H 1 4.095 0.000 . 1 . . . . . . . . . 5767 1 162 . 1 1 28 28 LYS HB2 H 1 2.027 0.000 . 2 . . . . . . . . . 5767 1 163 . 1 1 28 28 LYS HB3 H 1 2.047 0.001 . 2 . . . . . . . . . 5767 1 164 . 1 1 28 28 LYS HG2 H 1 1.499 0.000 . 2 . . . . . . . . . 5767 1 165 . 1 1 28 28 LYS HG3 H 1 1.582 0.000 . 2 . . . . . . . . . 5767 1 166 . 1 1 28 28 LYS HD2 H 1 1.724 0.000 . 2 . . . . . . . . . 5767 1 167 . 1 1 28 28 LYS HE2 H 1 2.999 0.000 . 2 . . . . . . . . . 5767 1 168 . 1 1 29 29 LEU H H 1 7.909 0.000 . 1 . . . . . . . . . 5767 1 169 . 1 1 29 29 LEU HA H 1 4.187 0.000 . 1 . . . . . . . . . 5767 1 170 . 1 1 29 29 LEU HB2 H 1 1.702 0.001 . 2 . . . . . . . . . 5767 1 171 . 1 1 29 29 LEU HB3 H 1 1.727 0.001 . 2 . . . . . . . . . 5767 1 172 . 1 1 29 29 LEU HG H 1 1.683 0.000 . 1 . . . . . . . . . 5767 1 173 . 1 1 29 29 LEU HD11 H 1 0.875 0.000 . 2 . . . . . . . . . 5767 1 174 . 1 1 29 29 LEU HD12 H 1 0.875 0.000 . 2 . . . . . . . . . 5767 1 175 . 1 1 29 29 LEU HD13 H 1 0.875 0.000 . 2 . . . . . . . . . 5767 1 176 . 1 1 29 29 LEU HD21 H 1 0.919 0.000 . 2 . . . . . . . . . 5767 1 177 . 1 1 29 29 LEU HD22 H 1 0.919 0.000 . 2 . . . . . . . . . 5767 1 178 . 1 1 29 29 LEU HD23 H 1 0.919 0.000 . 2 . . . . . . . . . 5767 1 179 . 1 1 30 30 SER H H 1 7.652 0.000 . 1 . . . . . . . . . 5767 1 180 . 1 1 30 30 SER HA H 1 4.300 0.000 . 1 . . . . . . . . . 5767 1 181 . 1 1 30 30 SER HB2 H 1 3.764 0.000 . 2 . . . . . . . . . 5767 1 182 . 1 1 30 30 SER HB3 H 1 4.737 0.000 . 2 . . . . . . . . . 5767 1 183 . 1 1 30 30 SER HG H 1 5.847 0.001 . 1 . . . . . . . . . 5767 1 184 . 1 1 31 31 GLY H H 1 8.027 0.000 . 1 . . . . . . . . . 5767 1 185 . 1 1 31 31 GLY HA2 H 1 4.390 0.000 . 2 . . . . . . . . . 5767 1 186 . 1 1 31 31 GLY HA3 H 1 3.945 0.000 . 2 . . . . . . . . . 5767 1 187 . 1 1 32 32 CYS H H 1 8.041 0.000 . 1 . . . . . . . . . 5767 1 188 . 1 1 32 32 CYS HA H 1 4.957 0.003 . 1 . . . . . . . . . 5767 1 189 . 1 1 32 32 CYS HB2 H 1 2.383 0.001 . 2 . . . . . . . . . 5767 1 190 . 1 1 32 32 CYS HB3 H 1 2.979 0.000 . 2 . . . . . . . . . 5767 1 191 . 1 1 33 33 LYS H H 1 8.999 0.001 . 1 . . . . . . . . . 5767 1 192 . 1 1 33 33 LYS HA H 1 4.500 0.000 . 1 . . . . . . . . . 5767 1 193 . 1 1 33 33 LYS HB2 H 1 1.048 0.000 . 2 . . . . . . . . . 5767 1 194 . 1 1 33 33 LYS HG2 H 1 0.703 0.008 . 2 . . . . . . . . . 5767 1 195 . 1 1 33 33 LYS HG3 H 1 1.283 0.004 . 2 . . . . . . . . . 5767 1 196 . 1 1 33 33 LYS HD2 H 1 0.939 0.000 . 2 . . . . . . . . . 5767 1 197 . 1 1 33 33 LYS HD3 H 1 1.097 0.000 . 2 . . . . . . . . . 5767 1 198 . 1 1 33 33 LYS HE2 H 1 2.420 0.000 . 2 . . . . . . . . . 5767 1 199 . 1 1 33 33 LYS HE3 H 1 2.486 0.000 . 2 . . . . . . . . . 5767 1 200 . 1 1 34 34 ILE H H 1 8.513 0.000 . 1 . . . . . . . . . 5767 1 201 . 1 1 34 34 ILE HA H 1 4.546 0.000 . 1 . . . . . . . . . 5767 1 202 . 1 1 34 34 ILE HB H 1 1.942 0.000 . 1 . . . . . . . . . 5767 1 203 . 1 1 34 34 ILE HG21 H 1 0.718 0.000 . 1 . . . . . . . . . 5767 1 204 . 1 1 34 34 ILE HG22 H 1 0.718 0.000 . 1 . . . . . . . . . 5767 1 205 . 1 1 34 34 ILE HG23 H 1 0.718 0.000 . 1 . . . . . . . . . 5767 1 206 . 1 1 34 34 ILE HG12 H 1 1.088 0.001 . 2 . . . . . . . . . 5767 1 207 . 1 1 34 34 ILE HG13 H 1 1.326 0.001 . 2 . . . . . . . . . 5767 1 208 . 1 1 34 34 ILE HD11 H 1 0.623 0.000 . 1 . . . . . . . . . 5767 1 209 . 1 1 34 34 ILE HD12 H 1 0.623 0.000 . 1 . . . . . . . . . 5767 1 210 . 1 1 34 34 ILE HD13 H 1 0.623 0.000 . 1 . . . . . . . . . 5767 1 211 . 1 1 35 35 ILE H H 1 8.810 0.000 . 1 . . . . . . . . . 5767 1 212 . 1 1 35 35 ILE HA H 1 4.681 0.000 . 1 . . . . . . . . . 5767 1 213 . 1 1 35 35 ILE HB H 1 1.948 0.000 . 1 . . . . . . . . . 5767 1 214 . 1 1 35 35 ILE HG21 H 1 0.769 0.000 . 1 . . . . . . . . . 5767 1 215 . 1 1 35 35 ILE HG22 H 1 0.769 0.000 . 1 . . . . . . . . . 5767 1 216 . 1 1 35 35 ILE HG23 H 1 0.769 0.000 . 1 . . . . . . . . . 5767 1 217 . 1 1 35 35 ILE HG12 H 1 1.004 0.000 . 2 . . . . . . . . . 5767 1 218 . 1 1 35 35 ILE HG13 H 1 1.323 0.000 . 2 . . . . . . . . . 5767 1 219 . 1 1 35 35 ILE HD11 H 1 0.711 0.000 . 1 . . . . . . . . . 5767 1 220 . 1 1 35 35 ILE HD12 H 1 0.711 0.000 . 1 . . . . . . . . . 5767 1 221 . 1 1 35 35 ILE HD13 H 1 0.711 0.000 . 1 . . . . . . . . . 5767 1 222 . 1 1 36 36 SER H H 1 8.768 0.000 . 1 . . . . . . . . . 5767 1 223 . 1 1 36 36 SER HA H 1 4.594 0.000 . 1 . . . . . . . . . 5767 1 224 . 1 1 36 36 SER HB2 H 1 3.866 0.000 . 2 . . . . . . . . . 5767 1 225 . 1 1 37 37 ALA H H 1 7.239 0.000 . 1 . . . . . . . . . 5767 1 226 . 1 1 37 37 ALA HA H 1 4.512 0.000 . 1 . . . . . . . . . 5767 1 227 . 1 1 37 37 ALA HB1 H 1 1.527 0.000 . 1 . . . . . . . . . 5767 1 228 . 1 1 37 37 ALA HB2 H 1 1.527 0.000 . 1 . . . . . . . . . 5767 1 229 . 1 1 37 37 ALA HB3 H 1 1.527 0.000 . 1 . . . . . . . . . 5767 1 230 . 1 1 38 38 SER H H 1 8.443 0.000 . 1 . . . . . . . . . 5767 1 231 . 1 1 38 38 SER HA H 1 4.370 0.000 . 1 . . . . . . . . . 5767 1 232 . 1 1 38 38 SER HB2 H 1 3.930 0.000 . 2 . . . . . . . . . 5767 1 233 . 1 1 38 38 SER HB3 H 1 3.964 0.000 . 2 . . . . . . . . . 5767 1 234 . 1 1 39 39 THR H H 1 7.245 0.000 . 1 . . . . . . . . . 5767 1 235 . 1 1 39 39 THR HA H 1 4.452 0.001 . 1 . . . . . . . . . 5767 1 236 . 1 1 39 39 THR HB H 1 3.938 0.000 . 1 . . . . . . . . . 5767 1 237 . 1 1 39 39 THR HG21 H 1 1.163 0.000 . 1 . . . . . . . . . 5767 1 238 . 1 1 39 39 THR HG22 H 1 1.163 0.000 . 1 . . . . . . . . . 5767 1 239 . 1 1 39 39 THR HG23 H 1 1.163 0.000 . 1 . . . . . . . . . 5767 1 240 . 1 1 40 40 CYS H H 1 8.934 0.000 . 1 . . . . . . . . . 5767 1 241 . 1 1 40 40 CYS HA H 1 4.773 0.002 . 1 . . . . . . . . . 5767 1 242 . 1 1 40 40 CYS HB2 H 1 2.573 0.002 . 2 . . . . . . . . . 5767 1 243 . 1 1 40 40 CYS HB3 H 1 3.796 0.000 . 2 . . . . . . . . . 5767 1 244 . 1 1 41 41 PRO HA H 1 4.662 0.000 . 1 . . . . . . . . . 5767 1 245 . 1 1 41 41 PRO HB2 H 1 2.346 0.000 . 2 . . . . . . . . . 5767 1 246 . 1 1 41 41 PRO HB3 H 1 2.387 0.000 . 2 . . . . . . . . . 5767 1 247 . 1 1 41 41 PRO HG2 H 1 2.022 0.000 . 2 . . . . . . . . . 5767 1 248 . 1 1 41 41 PRO HG3 H 1 2.185 0.000 . 2 . . . . . . . . . 5767 1 249 . 1 1 41 41 PRO HD2 H 1 3.660 0.000 . 2 . . . . . . . . . 5767 1 250 . 1 1 41 41 PRO HD3 H 1 3.801 0.000 . 2 . . . . . . . . . 5767 1 251 . 1 1 42 42 SER H H 1 8.812 0.000 . 1 . . . . . . . . . 5767 1 252 . 1 1 42 42 SER HA H 1 4.022 0.000 . 1 . . . . . . . . . 5767 1 253 . 1 1 42 42 SER HB2 H 1 3.909 0.000 . 2 . . . . . . . . . 5767 1 254 . 1 1 43 43 ASP H H 1 8.735 0.000 . 1 . . . . . . . . . 5767 1 255 . 1 1 43 43 ASP HA H 1 4.470 0.000 . 1 . . . . . . . . . 5767 1 256 . 1 1 43 43 ASP HB2 H 1 2.671 0.000 . 2 . . . . . . . . . 5767 1 257 . 1 1 44 44 TYR H H 1 7.664 0.000 . 1 . . . . . . . . . 5767 1 258 . 1 1 44 44 TYR HA H 1 4.356 0.000 . 1 . . . . . . . . . 5767 1 259 . 1 1 44 44 TYR HB2 H 1 2.364 0.000 . 2 . . . . . . . . . 5767 1 260 . 1 1 44 44 TYR HB3 H 1 2.452 0.000 . 2 . . . . . . . . . 5767 1 261 . 1 1 44 44 TYR HE1 H 1 6.878 0.000 . 3 . . . . . . . . . 5767 1 262 . 1 1 44 44 TYR HD1 H 1 6.762 0.000 . 3 . . . . . . . . . 5767 1 263 . 1 1 45 45 PRO HA H 1 4.457 0.000 . 1 . . . . . . . . . 5767 1 264 . 1 1 45 45 PRO HB2 H 1 1.999 0.000 . 2 . . . . . . . . . 5767 1 265 . 1 1 45 45 PRO HG2 H 1 1.623 0.003 . 2 . . . . . . . . . 5767 1 266 . 1 1 45 45 PRO HG3 H 1 2.024 0.000 . 2 . . . . . . . . . 5767 1 267 . 1 1 45 45 PRO HD2 H 1 3.345 0.001 . 2 . . . . . . . . . 5767 1 268 . 1 1 46 46 LYS H H 1 8.308 0.000 . 1 . . . . . . . . . 5767 1 269 . 1 1 46 46 LYS HA H 1 4.335 0.000 . 1 . . . . . . . . . 5767 1 270 . 1 1 46 46 LYS HB2 H 1 1.153 0.000 . 2 . . . . . . . . . 5767 1 271 . 1 1 46 46 LYS HG2 H 1 1.773 0.000 . 2 . . . . . . . . . 5767 1 272 . 1 1 46 46 LYS HD2 H 1 1.471 0.000 . 2 . . . . . . . . . 5767 1 273 . 1 1 46 46 LYS HD3 H 1 1.600 0.000 . 2 . . . . . . . . . 5767 1 274 . 1 1 46 46 LYS HE2 H 1 2.905 0.000 . 2 . . . . . . . . . 5767 1 275 . 1 1 46 46 LYS HE3 H 1 2.976 0.000 . 2 . . . . . . . . . 5767 1 276 . 1 1 46 46 LYS HZ1 H 1 7.611 0.000 . 2 . . . . . . . . . 5767 1 277 . 1 1 46 46 LYS HZ2 H 1 7.611 0.000 . 2 . . . . . . . . . 5767 1 278 . 1 1 46 46 LYS HZ3 H 1 7.611 0.000 . 2 . . . . . . . . . 5767 1 stop_ save_