################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7173 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 7173 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 2 2 ILE H H 1 8.337 0.000 . 1 . . . . 2 ILE H . 7173 1 2 . 1 1 2 2 ILE HA H 1 4.402 0.002 . 1 . . . . 2 ILE HA . 7173 1 3 . 1 1 2 2 ILE HB H 1 2.004 0.000 . 1 . . . . 2 ILE HB . 7173 1 4 . 1 1 2 2 ILE HG12 H 1 0.939 0.002 . 1 . . . . 2 ILE HG12 . 7173 1 5 . 1 1 2 2 ILE HG13 H 1 1.211 0.002 . 1 . . . . 2 ILE HG13 . 7173 1 6 . 1 1 2 2 ILE HG21 H 1 0.854 0.001 . 1 . . . . 2 ILE HG2 . 7173 1 7 . 1 1 2 2 ILE HG22 H 1 0.854 0.001 . 1 . . . . 2 ILE HG2 . 7173 1 8 . 1 1 2 2 ILE HG23 H 1 0.854 0.001 . 1 . . . . 2 ILE HG2 . 7173 1 9 . 1 1 3 3 THR H H 1 8.109 0.000 . 1 . . . . 3 THR H . 7173 1 10 . 1 1 3 3 THR HA H 1 4.394 0.000 . 1 . . . . 3 THR HA . 7173 1 11 . 1 1 3 3 THR HB H 1 4.250 0.001 . 1 . . . . 3 THR HB . 7173 1 12 . 1 1 3 3 THR HG21 H 1 0.937 0.000 . 1 . . . . 3 THR HG1 . 7173 1 13 . 1 1 3 3 THR HG22 H 1 0.937 0.000 . 1 . . . . 3 THR HG1 . 7173 1 14 . 1 1 3 3 THR HG23 H 1 0.937 0.000 . 1 . . . . 3 THR HG1 . 7173 1 15 . 1 1 4 4 CYS H H 1 8.114 0.000 . 1 . . . . 4 CYS H . 7173 1 16 . 1 1 4 4 CYS HA H 1 4.914 0.000 . 1 . . . . 4 CYS HA . 7173 1 17 . 1 1 4 4 CYS HB2 H 1 2.889 0.001 . 1 . . . . 4 CYS HB2 . 7173 1 18 . 1 1 4 4 CYS HB3 H 1 3.152 0.001 . 1 . . . . 4 CYS HB3 . 7173 1 19 . 1 1 5 5 LEU H H 1 8.694 0.001 . 1 . . . . 5 LEU H . 7173 1 20 . 1 1 5 5 LEU HA H 1 4.264 0.000 . 1 . . . . 5 LEU HA . 7173 1 21 . 1 1 5 5 LEU HB2 H 1 1.307 0.000 . 1 . . . . 5 LEU HB2 . 7173 1 22 . 1 1 5 5 LEU HB3 H 1 1.766 0.000 . 1 . . . . 5 LEU HB3 . 7173 1 23 . 1 1 5 5 LEU HG H 1 1.249 0.000 . 1 . . . . 5 LEU HG . 7173 1 24 . 1 1 5 5 LEU HD11 H 1 0.812 0.003 . 2 . . . . 5 LEU HD1 . 7173 1 25 . 1 1 5 5 LEU HD12 H 1 0.812 0.003 . 2 . . . . 5 LEU HD1 . 7173 1 26 . 1 1 5 5 LEU HD13 H 1 0.812 0.003 . 2 . . . . 5 LEU HD1 . 7173 1 27 . 1 1 5 5 LEU HD21 H 1 0.737 0.000 . 2 . . . . 5 LEU HD2 . 7173 1 28 . 1 1 5 5 LEU HD22 H 1 0.737 0.000 . 2 . . . . 5 LEU HD2 . 7173 1 29 . 1 1 5 5 LEU HD23 H 1 0.737 0.000 . 2 . . . . 5 LEU HD2 . 7173 1 30 . 1 1 6 6 PHE H H 1 8.023 0.001 . 1 . . . . 6 PHE H . 7173 1 31 . 1 1 6 6 PHE HA H 1 4.161 0.000 . 1 . . . . 6 PHE HA . 7173 1 32 . 1 1 6 6 PHE HB2 H 1 3.073 0.000 . 1 . . . . 6 PHE HB2 . 7173 1 33 . 1 1 6 6 PHE HB3 H 1 3.021 0.003 . 1 . . . . 6 PHE HB3 . 7173 1 34 . 1 1 6 6 PHE HD1 H 1 6.946 0.000 . 1 . . . . 6 PHE HD1 . 7173 1 35 . 1 1 6 6 PHE HD2 H 1 6.946 0.000 . 1 . . . . 6 PHE HD2 . 7173 1 36 . 1 1 6 6 PHE HE1 H 1 7.314 0.000 . 1 . . . . 6 PHE HE1 . 7173 1 37 . 1 1 6 6 PHE HE2 H 1 7.314 0.000 . 1 . . . . 6 PHE HE2 . 7173 1 38 . 1 1 7 7 ARG H H 1 7.145 0.000 . 1 . . . . 7 ARG H . 7173 1 39 . 1 1 7 7 ARG HA H 1 3.013 0.000 . 1 . . . . 7 ARG HA . 7173 1 40 . 1 1 7 7 ARG HB2 H 1 1.401 0.000 . 1 . . . . 7 ARG HB2 . 7173 1 41 . 1 1 7 7 ARG HB3 H 1 1.270 0.000 . 1 . . . . 7 ARG HB3 . 7173 1 42 . 1 1 7 7 ARG HG2 H 1 1.176 0.000 . 1 . . . . 7 ARG HG2 . 7173 1 43 . 1 1 7 7 ARG HG3 H 1 1.024 0.000 . 1 . . . . 7 ARG HG3 . 7173 1 44 . 1 1 8 8 GLY H H 1 8.851 0.001 . 1 . . . . 8 GLY H . 7173 1 45 . 1 1 8 8 GLY HA2 H 1 3.498 0.000 . 1 . . . . 8 GLY HA2 . 7173 1 46 . 1 1 8 8 GLY HA3 H 1 3.498 0.000 . 1 . . . . 8 GLY HA3 . 7173 1 47 . 1 1 9 9 ALA H H 1 8.083 0.000 . 1 . . . . 9 ALA H . 7173 1 48 . 1 1 9 9 ALA HA H 1 4.209 0.000 . 1 . . . . 9 ALA HA . 7173 1 49 . 1 1 9 9 ALA HB1 H 1 1.321 0.000 . 1 . . . . 9 ALA HB . 7173 1 50 . 1 1 9 9 ALA HB2 H 1 1.321 0.000 . 1 . . . . 9 ALA HB . 7173 1 51 . 1 1 9 9 ALA HB3 H 1 1.321 0.000 . 1 . . . . 9 ALA HB . 7173 1 52 . 1 1 10 10 ARG H H 1 8.329 0.000 . 1 . . . . 10 ARG H . 7173 1 53 . 1 1 10 10 ARG HA H 1 4.725 0.000 . 1 . . . . 10 ARG HA . 7173 1 54 . 1 1 10 10 ARG HB2 H 1 1.804 0.000 . 1 . . . . 10 ARG HB2 . 7173 1 55 . 1 1 10 10 ARG HB3 H 1 1.756 0.000 . 1 . . . . 10 ARG HB3 . 7173 1 56 . 1 1 10 10 ARG HG2 H 1 1.672 0.000 . 1 . . . . 10 ARG HG2 . 7173 1 57 . 1 1 10 10 ARG HG3 H 1 1.672 0.000 . 1 . . . . 10 ARG HG3 . 7173 1 58 . 1 1 10 10 ARG HE H 1 6.822 0.000 . 1 . . . . 10 ARG HE . 7173 1 59 . 1 1 11 11 CYS H H 1 8.545 0.001 . 1 . . . . 11 CYS H . 7173 1 60 . 1 1 11 11 CYS HA H 1 4.881 0.000 . 1 . . . . 11 CYS HA . 7173 1 61 . 1 1 11 11 CYS HB2 H 1 3.254 0.000 . 1 . . . . 11 CYS HB2 . 7173 1 62 . 1 1 11 11 CYS HB3 H 1 2.864 0.000 . 1 . . . . 11 CYS HB3 . 7173 1 63 . 1 1 12 12 ARG H H 1 8.905 0.001 . 1 . . . . 12 ARG H . 7173 1 64 . 1 1 12 12 ARG HA H 1 4.739 0.000 . 1 . . . . 12 ARG HA . 7173 1 65 . 1 1 12 12 ARG HB2 H 1 1.757 0.000 . 1 . . . . 12 ARG HB2 . 7173 1 66 . 1 1 12 12 ARG HB3 H 1 1.671 0.000 . 1 . . . . 12 ARG HB3 . 7173 1 67 . 1 1 12 12 ARG HG2 H 1 1.503 0.000 . 1 . . . . 12 ARG HG2 . 7173 1 68 . 1 1 12 12 ARG HG3 H 1 1.282 0.000 . 1 . . . . 12 ARG HG3 . 7173 1 69 . 1 1 12 12 ARG HD2 H 1 3.028 0.000 . 1 . . . . 12 ARG HD2 . 7173 1 70 . 1 1 12 12 ARG HD3 H 1 3.028 0.000 . 1 . . . . 12 ARG HD3 . 7173 1 71 . 1 1 12 12 ARG HE H 1 7.146 0.000 . 1 . . . . 12 ARG HE . 7173 1 72 . 1 1 13 13 VAL H H 1 7.925 0.000 . 1 . . . . 13 VAL H . 7173 1 73 . 1 1 13 13 VAL HA H 1 3.178 0.000 . 1 . . . . 13 VAL HA . 7173 1 74 . 1 1 13 13 VAL HB H 1 1.471 0.000 . 1 . . . . 13 VAL HB . 7173 1 75 . 1 1 13 13 VAL HG11 H 1 0.506 0.000 . 2 . . . . 13 VAL HG1 . 7173 1 76 . 1 1 13 13 VAL HG12 H 1 0.506 0.000 . 2 . . . . 13 VAL HG1 . 7173 1 77 . 1 1 13 13 VAL HG13 H 1 0.506 0.000 . 2 . . . . 13 VAL HG1 . 7173 1 78 . 1 1 13 13 VAL HG21 H 1 0.323 0.000 . 2 . . . . 13 VAL HG2 . 7173 1 79 . 1 1 13 13 VAL HG22 H 1 0.323 0.000 . 2 . . . . 13 VAL HG2 . 7173 1 80 . 1 1 13 13 VAL HG23 H 1 0.323 0.000 . 2 . . . . 13 VAL HG2 . 7173 1 81 . 1 1 14 14 TYR H H 1 8.470 0.000 . 1 . . . . 14 TYR H . 7173 1 82 . 1 1 14 14 TYR HA H 1 4.735 0.000 . 1 . . . . 14 TYR HA . 7173 1 83 . 1 1 14 14 TYR HB2 H 1 2.811 0.000 . 1 . . . . 14 TYR HB2 . 7173 1 84 . 1 1 14 14 TYR HB3 H 1 3.263 0.000 . 1 . . . . 14 TYR HB3 . 7173 1 85 . 1 1 14 14 TYR HD1 H 1 7.157 0.003 . 1 . . . . 14 TYR HD1 . 7173 1 86 . 1 1 14 14 TYR HD2 H 1 7.157 0.003 . 1 . . . . 14 TYR HD2 . 7173 1 87 . 1 1 14 14 TYR HE1 H 1 6.807 0.000 . 1 . . . . 14 TYR HE1 . 7173 1 88 . 1 1 14 14 TYR HE2 H 1 6.807 0.000 . 1 . . . . 14 TYR HE2 . 7173 1 89 . 1 1 15 15 SER H H 1 7.703 0.001 . 1 . . . . 15 SER H . 7173 1 90 . 1 1 15 15 SER HA H 1 4.460 0.000 . 1 . . . . 15 SER HA . 7173 1 91 . 1 1 15 15 SER HB2 H 1 3.823 0.000 . 1 . . . . 15 SER HB2 . 7173 1 92 . 1 1 15 15 SER HB3 H 1 3.823 0.000 . 1 . . . . 15 SER HB3 . 7173 1 93 . 1 1 16 16 GLY H H 1 8.380 0.002 . 1 . . . . 16 GLY H . 7173 1 94 . 1 1 16 16 GLY HA2 H 1 3.999 0.000 . 1 . . . . 16 GLY HA2 . 7173 1 95 . 1 1 16 16 GLY HA3 H 1 4.052 0.000 . 1 . . . . 16 GLY HA3 . 7173 1 96 . 1 1 17 17 ARG H H 1 8.259 0.001 . 1 . . . . 17 ARG H . 7173 1 97 . 1 1 17 17 ARG HA H 1 4.232 0.000 . 1 . . . . 17 ARG HA . 7173 1 98 . 1 1 17 17 ARG HB2 H 1 1.748 0.000 . 1 . . . . 17 ARG HB2 . 7173 1 99 . 1 1 17 17 ARG HB3 H 1 1.748 0.000 . 1 . . . . 17 ARG HB3 . 7173 1 100 . 1 1 17 17 ARG HG2 H 1 1.710 0.000 . 1 . . . . 17 ARG HG2 . 7173 1 101 . 1 1 17 17 ARG HG3 H 1 1.710 0.000 . 1 . . . . 17 ARG HG3 . 7173 1 102 . 1 1 18 18 SER H H 1 8.667 0.002 . 1 . . . . 18 SER H . 7173 1 103 . 1 1 18 18 SER HA H 1 4.532 0.000 . 1 . . . . 18 SER HA . 7173 1 104 . 1 1 18 18 SER HB2 H 1 3.835 0.000 . 1 . . . . 18 SER HB2 . 7173 1 105 . 1 1 18 18 SER HB3 H 1 4.022 0.000 . 1 . . . . 18 SER HB3 . 7173 1 106 . 1 1 19 19 CYS H H 1 9.144 0.003 . 1 . . . . 19 CYS H . 7173 1 107 . 1 1 19 19 CYS HA H 1 5.035 0.000 . 1 . . . . 19 CYS HA . 7173 1 108 . 1 1 19 19 CYS HB2 H 1 2.527 0.001 . 1 . . . . 19 CYS HB2 . 7173 1 109 . 1 1 19 19 CYS HB3 H 1 2.980 0.000 . 1 . . . . 19 CYS HB3 . 7173 1 110 . 1 1 20 20 CYS H H 1 9.435 0.000 . 1 . . . . 20 CYS H . 7173 1 111 . 1 1 20 20 CYS HA H 1 4.526 0.001 . 1 . . . . 20 CYS HA . 7173 1 112 . 1 1 20 20 CYS HB2 H 1 2.503 0.008 . 1 . . . . 20 CYS HB2 . 7173 1 113 . 1 1 20 20 CYS HB3 H 1 3.456 0.000 . 1 . . . . 20 CYS HB3 . 7173 1 114 . 1 1 21 21 PHE H H 1 8.517 0.003 . 1 . . . . 21 PHE H . 7173 1 115 . 1 1 21 21 PHE HA H 1 4.368 0.000 . 1 . . . . 21 PHE HA . 7173 1 116 . 1 1 21 21 PHE HB2 H 1 3.290 0.000 . 1 . . . . 21 PHE HB2 . 7173 1 117 . 1 1 21 21 PHE HB3 H 1 2.941 0.000 . 1 . . . . 21 PHE HB3 . 7173 1 118 . 1 1 21 21 PHE HD1 H 1 7.278 0.000 . 1 . . . . 21 PHE HD1 . 7173 1 119 . 1 1 21 21 PHE HD2 H 1 7.278 0.000 . 1 . . . . 21 PHE HD2 . 7173 1 120 . 1 1 21 21 PHE HE1 H 1 7.387 0.000 . 1 . . . . 21 PHE HE1 . 7173 1 121 . 1 1 21 21 PHE HE2 H 1 7.387 0.000 . 1 . . . . 21 PHE HE2 . 7173 1 122 . 1 1 22 22 GLY H H 1 8.399 0.000 . 1 . . . . 22 GLY H . 7173 1 123 . 1 1 22 22 GLY HA2 H 1 3.108 0.000 . 1 . . . . 22 GLY HA2 . 7173 1 124 . 1 1 22 22 GLY HA3 H 1 3.108 0.000 . 1 . . . . 22 GLY HA3 . 7173 1 125 . 1 1 23 23 TYR H H 1 8.361 0.005 . 1 . . . . 23 TYR H . 7173 1 126 . 1 1 23 23 TYR HA H 1 5.177 0.000 . 1 . . . . 23 TYR HA . 7173 1 127 . 1 1 23 23 TYR HB2 H 1 3.156 0.000 . 1 . . . . 23 TYR HB2 . 7173 1 128 . 1 1 23 23 TYR HB3 H 1 2.609 0.000 . 1 . . . . 23 TYR HB3 . 7173 1 129 . 1 1 23 23 TYR HD1 H 1 6.692 0.000 . 1 . . . . 23 TYR HD1 . 7173 1 130 . 1 1 23 23 TYR HD2 H 1 6.692 0.000 . 1 . . . . 23 TYR HD2 . 7173 1 131 . 1 1 23 23 TYR HE1 H 1 6.708 0.001 . 1 . . . . 23 TYR HE1 . 7173 1 132 . 1 1 23 23 TYR HE2 H 1 6.708 0.001 . 1 . . . . 23 TYR HE2 . 7173 1 133 . 1 1 24 24 TYR H H 1 9.737 0.000 . 1 . . . . 24 TYR H . 7173 1 134 . 1 1 24 24 TYR HA H 1 4.963 0.002 . 1 . . . . 24 TYR HA . 7173 1 135 . 1 1 24 24 TYR HB2 H 1 3.033 0.000 . 1 . . . . 24 TYR HB2 . 7173 1 136 . 1 1 24 24 TYR HB3 H 1 2.790 0.000 . 1 . . . . 24 TYR HB3 . 7173 1 137 . 1 1 24 24 TYR HD1 H 1 6.919 0.002 . 1 . . . . 24 TYR HD1 . 7173 1 138 . 1 1 24 24 TYR HD2 H 1 6.919 0.002 . 1 . . . . 24 TYR HD2 . 7173 1 139 . 1 1 24 24 TYR HE1 H 1 6.713 0.002 . 1 . . . . 24 TYR HE1 . 7173 1 140 . 1 1 24 24 TYR HE2 H 1 6.713 0.002 . 1 . . . . 24 TYR HE2 . 7173 1 141 . 1 1 25 25 CYS H H 1 9.021 0.000 . 1 . . . . 25 CYS H . 7173 1 142 . 1 1 25 25 CYS HA H 1 4.283 0.001 . 1 . . . . 25 CYS HA . 7173 1 143 . 1 1 25 25 CYS HB2 H 1 2.841 0.000 . 1 . . . . 25 CYS HB2 . 7173 1 144 . 1 1 25 25 CYS HB3 H 1 2.841 0.000 . 1 . . . . 25 CYS HB3 . 7173 1 145 . 1 1 26 26 ARG H H 1 7.645 0.002 . 1 . . . . 26 ARG H . 7173 1 146 . 1 1 26 26 ARG HA H 1 4.109 0.000 . 1 . . . . 26 ARG HA . 7173 1 147 . 1 1 26 26 ARG HB2 H 1 1.851 0.000 . 1 . . . . 26 ARG HB2 . 7173 1 148 . 1 1 26 26 ARG HB3 H 1 1.695 0.000 . 1 . . . . 26 ARG HB3 . 7173 1 149 . 1 1 26 26 ARG HG2 H 1 1.446 0.000 . 1 . . . . 26 ARG HG2 . 7173 1 150 . 1 1 26 26 ARG HG3 H 1 0.932 0.000 . 1 . . . . 26 ARG HG3 . 7173 1 151 . 1 1 26 26 ARG HD2 H 1 3.098 0.000 . 1 . . . . 26 ARG HD2 . 7173 1 152 . 1 1 26 26 ARG HD3 H 1 3.098 0.000 . 1 . . . . 26 ARG HD3 . 7173 1 153 . 1 1 26 26 ARG HE H 1 7.028 0.000 . 1 . . . . 26 ARG HE . 7173 1 154 . 1 1 27 27 ARG H H 1 8.749 0.001 . 1 . . . . 27 ARG H . 7173 1 155 . 1 1 27 27 ARG HA H 1 3.879 0.002 . 1 . . . . 27 ARG HA . 7173 1 156 . 1 1 27 27 ARG HB2 H 1 1.808 0.000 . 1 . . . . 27 ARG HB2 . 7173 1 157 . 1 1 27 27 ARG HB3 H 1 1.682 0.000 . 1 . . . . 27 ARG HB3 . 7173 1 158 . 1 1 27 27 ARG HG2 H 1 1.531 0.000 . 1 . . . . 27 ARG HG2 . 7173 1 159 . 1 1 27 27 ARG HG3 H 1 1.531 0.000 . 1 . . . . 27 ARG HG3 . 7173 1 160 . 1 1 27 27 ARG HD2 H 1 3.353 0.000 . 1 . . . . 27 ARG HD2 . 7173 1 161 . 1 1 27 27 ARG HD3 H 1 3.213 0.000 . 1 . . . . 27 ARG HD3 . 7173 1 162 . 1 1 27 27 ARG HE H 1 7.405 0.001 . 1 . . . . 27 ARG HE . 7173 1 163 . 1 1 28 28 ASP H H 1 8.330 0.000 . 1 . . . . 28 ASP H . 7173 1 164 . 1 1 28 28 ASP HA H 1 4.336 0.000 . 1 . . . . 28 ASP HA . 7173 1 165 . 1 1 28 28 ASP HB2 H 1 2.417 0.000 . 1 . . . . 28 ASP HB2 . 7173 1 166 . 1 1 28 28 ASP HB3 H 1 2.880 0.000 . 1 . . . . 28 ASP HB3 . 7173 1 167 . 1 1 29 29 PHE H H 1 7.331 0.002 . 1 . . . . 29 PHE H . 7173 1 168 . 1 1 29 29 PHE HA H 1 4.903 0.000 . 1 . . . . 29 PHE HA . 7173 1 169 . 1 1 29 29 PHE HB2 H 1 3.175 0.000 . 1 . . . . 29 PHE HB2 . 7173 1 170 . 1 1 29 29 PHE HB3 H 1 3.412 0.000 . 1 . . . . 29 PHE HB3 . 7173 1 171 . 1 1 29 29 PHE HD1 H 1 7.197 0.001 . 1 . . . . 29 PHE HD1 . 7173 1 172 . 1 1 29 29 PHE HD2 H 1 7.197 0.001 . 1 . . . . 29 PHE HD2 . 7173 1 173 . 1 1 29 29 PHE HE1 H 1 7.418 0.000 . 1 . . . . 29 PHE HE1 . 7173 1 174 . 1 1 29 29 PHE HE2 H 1 7.418 0.000 . 1 . . . . 29 PHE HE2 . 7173 1 175 . 1 1 30 30 PRO HA H 1 4.257 0.000 . 1 . . . . 30 PRO HA . 7173 1 176 . 1 1 30 30 PRO HB2 H 1 2.385 0.000 . 1 . . . . 30 PRO HB2 . 7173 1 177 . 1 1 30 30 PRO HB3 H 1 2.283 0.000 . 1 . . . . 30 PRO HB3 . 7173 1 178 . 1 1 30 30 PRO HG2 H 1 2.061 0.002 . 1 . . . . 30 PRO HG2 . 7173 1 179 . 1 1 30 30 PRO HG3 H 1 1.999 0.002 . 1 . . . . 30 PRO HG3 . 7173 1 180 . 1 1 30 30 PRO HD2 H 1 3.968 0.000 . 1 . . . . 30 PRO HD2 . 7173 1 181 . 1 1 30 30 PRO HD3 H 1 3.857 0.000 . 1 . . . . 30 PRO HD3 . 7173 1 182 . 1 1 31 31 GLY H H 1 8.549 0.000 . 1 . . . . 31 GLY H . 7173 1 183 . 1 1 31 31 GLY HA2 H 1 3.757 0.000 . 1 . . . . 31 GLY HA2 . 7173 1 184 . 1 1 31 31 GLY HA3 H 1 3.757 0.000 . 1 . . . . 31 GLY HA3 . 7173 1 185 . 1 1 32 32 SER H H 1 8.057 0.001 . 1 . . . . 32 SER H . 7173 1 186 . 1 1 32 32 SER HA H 1 4.057 0.002 . 1 . . . . 32 SER HA . 7173 1 187 . 1 1 32 32 SER HB2 H 1 3.034 0.000 . 1 . . . . 32 SER HB2 . 7173 1 188 . 1 1 32 32 SER HB3 H 1 2.795 0.000 . 1 . . . . 32 SER HB3 . 7173 1 189 . 1 1 33 33 ILE H H 1 8.374 0.000 . 1 . . . . 33 ILE H . 7173 1 190 . 1 1 33 33 ILE HA H 1 4.054 0.000 . 1 . . . . 33 ILE HA . 7173 1 191 . 1 1 33 33 ILE HB H 1 1.727 0.001 . 1 . . . . 33 ILE HB . 7173 1 192 . 1 1 33 33 ILE HG12 H 1 1.016 0.002 . 1 . . . . 33 ILE HG12 . 7173 1 193 . 1 1 33 33 ILE HG13 H 1 1.113 0.003 . 1 . . . . 33 ILE HG13 . 7173 1 194 . 1 1 33 33 ILE HG21 H 1 0.730 0.000 . 1 . . . . 33 ILE HG2 . 7173 1 195 . 1 1 33 33 ILE HG22 H 1 0.730 0.000 . 1 . . . . 33 ILE HG2 . 7173 1 196 . 1 1 33 33 ILE HG23 H 1 0.730 0.000 . 1 . . . . 33 ILE HG2 . 7173 1 197 . 1 1 33 33 ILE HD11 H 1 0.546 0.002 . 1 . . . . 33 ILE HD1 . 7173 1 198 . 1 1 33 33 ILE HD12 H 1 0.546 0.002 . 1 . . . . 33 ILE HD1 . 7173 1 199 . 1 1 33 33 ILE HD13 H 1 0.546 0.002 . 1 . . . . 33 ILE HD1 . 7173 1 200 . 1 1 34 34 PHE H H 1 7.970 0.002 . 1 . . . . 34 PHE H . 7173 1 201 . 1 1 34 34 PHE HA H 1 5.309 0.000 . 1 . . . . 34 PHE HA . 7173 1 202 . 1 1 34 34 PHE HB2 H 1 2.936 0.000 . 1 . . . . 34 PHE HB2 . 7173 1 203 . 1 1 34 34 PHE HB3 H 1 3.230 0.002 . 1 . . . . 34 PHE HB3 . 7173 1 204 . 1 1 34 34 PHE HD1 H 1 7.254 0.001 . 1 . . . . 34 PHE HD1 . 7173 1 205 . 1 1 34 34 PHE HD2 H 1 7.254 0.001 . 1 . . . . 34 PHE HD2 . 7173 1 206 . 1 1 34 34 PHE HE1 H 1 7.304 0.001 . 1 . . . . 34 PHE HE1 . 7173 1 207 . 1 1 34 34 PHE HE2 H 1 7.304 0.001 . 1 . . . . 34 PHE HE2 . 7173 1 208 . 1 1 35 35 GLY H H 1 9.027 0.002 . 1 . . . . 35 GLY H . 7173 1 209 . 1 1 35 35 GLY HA2 H 1 3.584 0.004 . 1 . . . . 35 GLY HA2 . 7173 1 210 . 1 1 35 35 GLY HA3 H 1 3.584 0.004 . 1 . . . . 35 GLY HA3 . 7173 1 211 . 1 1 36 36 THR H H 1 8.049 0.002 . 1 . . . . 36 THR H . 7173 1 212 . 1 1 36 36 THR HA H 1 5.124 0.000 . 1 . . . . 36 THR HA . 7173 1 213 . 1 1 36 36 THR HB H 1 3.603 0.000 . 1 . . . . 36 THR HB . 7173 1 214 . 1 1 36 36 THR HG21 H 1 1.045 0.000 . 1 . . . . 36 THR HG1 . 7173 1 215 . 1 1 36 36 THR HG22 H 1 1.045 0.000 . 1 . . . . 36 THR HG1 . 7173 1 216 . 1 1 36 36 THR HG23 H 1 1.045 0.000 . 1 . . . . 36 THR HG1 . 7173 1 217 . 1 1 37 37 CYS H H 1 9.025 0.001 . 1 . . . . 37 CYS H . 7173 1 218 . 1 1 37 37 CYS HA H 1 5.021 0.000 . 1 . . . . 37 CYS HA . 7173 1 219 . 1 1 37 37 CYS HB2 H 1 3.004 0.001 . 1 . . . . 37 CYS HB2 . 7173 1 220 . 1 1 37 37 CYS HB3 H 1 2.566 0.000 . 1 . . . . 37 CYS HB3 . 7173 1 221 . 1 1 38 38 SER H H 1 9.688 0.001 . 1 . . . . 38 SER H . 7173 1 222 . 1 1 38 38 SER HA H 1 4.977 0.002 . 1 . . . . 38 SER HA . 7173 1 223 . 1 1 38 38 SER HB2 H 1 3.223 0.002 . 1 . . . . 38 SER HB2 . 7173 1 224 . 1 1 38 38 SER HB3 H 1 3.777 0.000 . 1 . . . . 38 SER HB3 . 7173 1 225 . 1 1 39 39 ARG H H 1 9.133 0.001 . 1 . . . . 39 ARG H . 7173 1 226 . 1 1 39 39 ARG HA H 1 3.878 0.004 . 1 . . . . 39 ARG HA . 7173 1 227 . 1 1 39 39 ARG HB2 H 1 1.777 0.000 . 1 . . . . 39 ARG HB2 . 7173 1 228 . 1 1 39 39 ARG HB3 H 1 1.685 0.000 . 1 . . . . 39 ARG HB3 . 7173 1 229 . 1 1 39 39 ARG HG2 H 1 1.548 0.000 . 1 . . . . 39 ARG HG2 . 7173 1 230 . 1 1 39 39 ARG HG3 H 1 1.548 0.000 . 1 . . . . 39 ARG HG3 . 7173 1 231 . 1 1 39 39 ARG HD2 H 1 3.047 0.004 . 1 . . . . 39 ARG HD2 . 7173 1 232 . 1 1 39 39 ARG HD3 H 1 3.047 0.004 . 1 . . . . 39 ARG HD3 . 7173 1 233 . 1 1 39 39 ARG HE H 1 7.095 0.000 . 1 . . . . 39 ARG HE . 7173 1 234 . 1 1 40 40 ARG H H 1 8.347 0.003 . 1 . . . . 40 ARG H . 7173 1 235 . 1 1 40 40 ARG HA H 1 4.134 0.000 . 1 . . . . 40 ARG HA . 7173 1 236 . 1 1 40 40 ARG HB2 H 1 1.375 0.119 . 1 . . . . 40 ARG HB2 . 7173 1 237 . 1 1 40 40 ARG HB3 H 1 1.349 0.000 . 1 . . . . 40 ARG HB3 . 7173 1 238 . 1 1 40 40 ARG HG2 H 1 1.291 0.119 . 1 . . . . 40 ARG HG2 . 7173 1 239 . 1 1 40 40 ARG HG3 H 1 1.349 0.000 . 1 . . . . 40 ARG HG3 . 7173 1 240 . 1 1 41 41 ASN H H 1 8.354 0.002 . 1 . . . . 41 ASN H . 7173 1 241 . 1 1 41 41 ASN HA H 1 4.636 0.001 . 1 . . . . 41 ASN HA . 7173 1 242 . 1 1 41 41 ASN HB2 H 1 2.708 0.000 . 1 . . . . 41 ASN HB2 . 7173 1 243 . 1 1 41 41 ASN HB3 H 1 2.636 0.000 . 1 . . . . 41 ASN HB3 . 7173 1 244 . 1 1 42 42 PHE H H 1 8.163 0.002 . 1 . . . . 42 PHE H . 7173 1 245 . 1 1 42 42 PHE HA H 1 4.534 0.003 . 1 . . . . 42 PHE HA . 7173 1 246 . 1 1 42 42 PHE HB2 H 1 3.126 0.001 . 1 . . . . 42 PHE HB2 . 7173 1 247 . 1 1 42 42 PHE HB3 H 1 2.957 0.003 . 1 . . . . 42 PHE HB3 . 7173 1 stop_ save_