################################### # 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30644 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _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 1H-1H TOCSY' . . . 30644 1 2 '2D 1H-1H COSY' . . . 30644 1 3 '2D 1H-1H NOESY' . . . 30644 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 PRO HA H 1 4.377 0.000 . 1 . . . . A 1 PRO HA . 30644 1 2 . 1 . 1 1 1 PRO HB2 H 1 2.327 0.000 . 2 . . . . A 1 PRO HB2 . 30644 1 3 . 1 . 1 1 1 PRO HB3 H 1 1.758 0.002 . 2 . . . . A 1 PRO HB3 . 30644 1 4 . 1 . 1 1 1 PRO HG2 H 1 1.986 0.004 . 2 . . . . A 1 PRO HG2 . 30644 1 5 . 1 . 1 1 1 PRO HG3 H 1 1.904 0.000 . 2 . . . . A 1 PRO HG3 . 30644 1 6 . 1 . 1 1 1 PRO HD2 H 1 3.322 0.001 . 1 . . . . A 1 PRO HD2 . 30644 1 7 . 1 . 1 1 1 PRO HD3 H 1 3.322 0.001 . 1 . . . . A 1 PRO HD3 . 30644 1 8 . 1 . 1 2 2 PHE H H 1 9.405 0.003 . 1 . . . . A 2 PHE H . 30644 1 9 . 1 . 1 2 2 PHE HA H 1 5.055 0.001 . 1 . . . . A 2 PHE HA . 30644 1 10 . 1 . 1 2 2 PHE HB2 H 1 3.147 0.002 . 2 . . . . A 2 PHE HB2 . 30644 1 11 . 1 . 1 2 2 PHE HB3 H 1 2.617 0.002 . 2 . . . . A 2 PHE HB3 . 30644 1 12 . 1 . 1 2 2 PHE HD1 H 1 7.186 0.002 . 1 . . . . A 2 PHE HD1 . 30644 1 13 . 1 . 1 2 2 PHE HD2 H 1 7.186 0.002 . 1 . . . . A 2 PHE HD2 . 30644 1 14 . 1 . 1 2 2 PHE HE1 H 1 7.489 0.001 . 1 . . . . A 2 PHE HE1 . 30644 1 15 . 1 . 1 2 2 PHE HE2 H 1 7.489 0.001 . 1 . . . . A 2 PHE HE2 . 30644 1 16 . 1 . 1 2 2 PHE HZ H 1 7.434 0.001 . 1 . . . . A 2 PHE HZ . 30644 1 17 . 1 . 1 3 3 9KK HA H 1 5.434 0.002 . 1 . . . . A 3 9KK HA . 30644 1 18 . 1 . 1 3 3 9KK HB2 H 1 1.522 0.004 . 2 . . . . A 3 9KK HB2 . 30644 1 19 . 1 . 1 3 3 9KK HB3 H 1 1.926 0.002 . 2 . . . . A 3 9KK HB3 . 30644 1 20 . 1 . 1 3 3 9KK QD H 1 1.242 0.004 . 1 . . . . A 3 9KK QD . 30644 1 21 . 1 . 1 3 3 9KK QE H 1 0.820 0.001 . 1 . . . . A 3 9KK QE . 30644 1 22 . 1 . 1 3 3 9KK QG H 1 1.074 0.006 . 1 . . . . A 3 9KK QG . 30644 1 23 . 1 . 1 3 3 9KK QM H 1 3.481 0.002 . 1 . . . . A 3 9KK QM . 30644 1 24 . 1 . 1 4 4 CYS H H 1 9.091 0.002 . 1 . . . . A 4 CYS H . 30644 1 25 . 1 . 1 4 4 CYS HA H 1 4.557 0.001 . 1 . . . . A 4 CYS HA . 30644 1 26 . 1 . 1 4 4 CYS HB2 H 1 3.445 0.001 . 2 . . . . A 4 CYS HB2 . 30644 1 27 . 1 . 1 4 4 CYS HB3 H 1 2.917 0.000 . 2 . . . . A 4 CYS HB3 . 30644 1 28 . 1 . 1 5 5 THR HA H 1 4.516 0.002 . 1 . . . . A 5 THR HA . 30644 1 29 . 1 . 1 5 5 THR HB H 1 4.685 0.000 . 1 . . . . A 5 THR HB . 30644 1 30 . 1 . 1 5 5 THR HG21 H 1 1.300 0.001 . 1 . . . . A 5 THR HG21 . 30644 1 31 . 1 . 1 5 5 THR HG22 H 1 1.300 0.001 . 1 . . . . A 5 THR HG22 . 30644 1 32 . 1 . 1 5 5 THR HG23 H 1 1.300 0.001 . 1 . . . . A 5 THR HG23 . 30644 1 33 . 1 . 1 6 6 TRP H H 1 8.707 0.000 . 1 . . . . A 6 TRP H . 30644 1 34 . 1 . 1 6 6 TRP HA H 1 3.992 0.001 . 1 . . . . A 6 TRP HA . 30644 1 35 . 1 . 1 6 6 TRP HB2 H 1 2.728 0.002 . 2 . . . . A 6 TRP HB2 . 30644 1 36 . 1 . 1 6 6 TRP HB3 H 1 2.535 0.001 . 2 . . . . A 6 TRP HB3 . 30644 1 37 . 1 . 1 6 6 TRP HD1 H 1 6.864 0.000 . 1 . . . . A 6 TRP HD1 . 30644 1 38 . 1 . 1 6 6 TRP HE1 H 1 10.113 0.000 . 1 . . . . A 6 TRP HE1 . 30644 1 39 . 1 . 1 6 6 TRP HE3 H 1 7.395 0.000 . 1 . . . . A 6 TRP HE3 . 30644 1 40 . 1 . 1 6 6 TRP HZ2 H 1 7.484 0.000 . 1 . . . . A 6 TRP HZ2 . 30644 1 41 . 1 . 1 6 6 TRP HZ3 H 1 7.069 0.000 . 1 . . . . A 6 TRP HZ3 . 30644 1 42 . 1 . 1 6 6 TRP HH2 H 1 7.162 0.001 . 1 . . . . A 6 TRP HH2 . 30644 1 43 . 1 . 1 7 7 AIB H H 1 8.323 0.001 . 1 . . . . A 7 AIB H . 30644 1 44 . 1 . 1 7 7 AIB QB1 H 1 1.201 0.000 . 2 . . . . A 7 AIB QB1 . 30644 1 45 . 1 . 1 7 7 AIB QB2 H 1 1.376 0.000 . 2 . . . . A 7 AIB QB2 . 30644 1 46 . 1 . 1 8 8 GLY H H 1 8.085 0.002 . 1 . . . . A 8 GLY H . 30644 1 47 . 1 . 1 8 8 GLY HA2 H 1 4.014 0.004 . 2 . . . . A 8 GLY HA2 . 30644 1 48 . 1 . 1 8 8 GLY HA3 H 1 3.748 0.000 . 2 . . . . A 8 GLY HA3 . 30644 1 49 . 1 . 1 9 9 CYS H H 1 8.096 0.000 . 1 . . . . A 9 CYS H . 30644 1 50 . 1 . 1 9 9 CYS HA H 1 4.417 0.001 . 1 . . . . A 9 CYS HA . 30644 1 51 . 1 . 1 9 9 CYS HB2 H 1 3.306 0.001 . 2 . . . . A 9 CYS HB2 . 30644 1 52 . 1 . 1 9 9 CYS HB3 H 1 3.197 0.002 . 2 . . . . A 9 CYS HB3 . 30644 1 53 . 1 . 1 10 10 GLY H H 1 8.214 0.001 . 1 . . . . A 10 GLY H . 30644 1 54 . 1 . 1 10 10 GLY HA2 H 1 4.028 0.001 . 2 . . . . A 10 GLY HA2 . 30644 1 55 . 1 . 1 10 10 GLY HA3 H 1 3.859 0.001 . 2 . . . . A 10 GLY HA3 . 30644 1 56 . 1 . 1 11 11 LYS H H 1 7.983 0.000 . 1 . . . . A 11 LYS H . 30644 1 57 . 1 . 1 11 11 LYS HA H 1 4.440 0.002 . 1 . . . . A 11 LYS HA . 30644 1 58 . 1 . 1 11 11 LYS HB2 H 1 1.473 0.000 . 1 . . . . A 11 LYS HB2 . 30644 1 59 . 1 . 1 11 11 LYS HB3 H 1 1.473 0.000 . 1 . . . . A 11 LYS HB3 . 30644 1 60 . 1 . 1 11 11 LYS HG2 H 1 1.736 0.001 . 1 . . . . A 11 LYS HG2 . 30644 1 61 . 1 . 1 11 11 LYS HG3 H 1 1.736 0.001 . 1 . . . . A 11 LYS HG3 . 30644 1 62 . 1 . 1 11 11 LYS HD2 H 1 1.611 0.002 . 1 . . . . A 11 LYS HD2 . 30644 1 63 . 1 . 1 11 11 LYS HD3 H 1 1.611 0.002 . 1 . . . . A 11 LYS HD3 . 30644 1 64 . 1 . 1 11 11 LYS HE2 H 1 3.080 0.001 . 1 . . . . A 11 LYS HE2 . 30644 1 65 . 1 . 1 11 11 LYS HE3 H 1 3.080 0.001 . 1 . . . . A 11 LYS HE3 . 30644 1 66 . 1 . 1 12 12 MMO HA H 1 5.736 0.001 . 1 . . . . A 12 MMO HA . 30644 1 67 . 1 . 1 12 12 MMO HC1 H 1 2.933 0.000 . 1 . . . . A 12 MMO HC1 . 30644 1 68 . 1 . 1 12 12 MMO HCB1 H 1 1.472 0.006 . 2 . . . . A 12 MMO HCB1 . 30644 1 69 . 1 . 1 12 12 MMO HCB2 H 1 1.816 0.005 . 2 . . . . A 12 MMO HCB2 . 30644 1 70 . 1 . 1 12 12 MMO HCD1 H 1 3.028 0.002 . 1 . . . . A 12 MMO HCD1 . 30644 1 71 . 1 . 1 12 12 MMO HCG1 H 1 1.273 0.003 . 1 . . . . A 12 MMO HCG1 . 30644 1 72 . 1 . 1 13 13 PHE H H 1 8.834 0.000 . 1 . . . . A 13 PHE H . 30644 1 73 . 1 . 1 13 13 PHE HA H 1 4.798 0.002 . 1 . . . . A 13 PHE HA . 30644 1 74 . 1 . 1 13 13 PHE HB2 H 1 3.428 0.000 . 2 . . . . A 13 PHE HB2 . 30644 1 75 . 1 . 1 13 13 PHE HB3 H 1 2.542 0.003 . 2 . . . . A 13 PHE HB3 . 30644 1 76 . 1 . 1 13 13 PHE HD1 H 1 7.135 0.001 . 1 . . . . A 13 PHE HD1 . 30644 1 77 . 1 . 1 13 13 PHE HD2 H 1 7.135 0.001 . 1 . . . . A 13 PHE HD2 . 30644 1 78 . 1 . 1 13 13 PHE HE1 H 1 6.833 0.000 . 1 . . . . A 13 PHE HE1 . 30644 1 79 . 1 . 1 13 13 PHE HE2 H 1 6.833 0.000 . 1 . . . . A 13 PHE HE2 . 30644 1 80 . 1 . 1 13 13 PHE HZ H 1 6.129 0.000 . 1 . . . . A 13 PHE HZ . 30644 1 81 . 1 . 1 14 14 THR H H 1 9.255 0.001 . 1 . . . . A 14 THR H . 30644 1 82 . 1 . 1 14 14 THR HA H 1 4.229 0.001 . 1 . . . . A 14 THR HA . 30644 1 83 . 1 . 1 14 14 THR HB H 1 4.418 0.002 . 1 . . . . A 14 THR HB . 30644 1 84 . 1 . 1 14 14 THR HG21 H 1 1.359 0.000 . 1 . . . . A 14 THR HG21 . 30644 1 85 . 1 . 1 14 14 THR HG22 H 1 1.359 0.000 . 1 . . . . A 14 THR HG22 . 30644 1 86 . 1 . 1 14 14 THR HG23 H 1 1.359 0.000 . 1 . . . . A 14 THR HG23 . 30644 1 87 . 1 . 1 15 15 ARG H H 1 7.921 0.002 . 1 . . . . A 15 ARG H . 30644 1 88 . 1 . 1 15 15 ARG HA H 1 4.888 0.001 . 1 . . . . A 15 ARG HA . 30644 1 89 . 1 . 1 15 15 ARG HB2 H 1 2.042 0.001 . 2 . . . . A 15 ARG HB2 . 30644 1 90 . 1 . 1 15 15 ARG HB3 H 1 1.935 0.001 . 2 . . . . A 15 ARG HB3 . 30644 1 91 . 1 . 1 15 15 ARG HG2 H 1 1.757 0.006 . 1 . . . . A 15 ARG HG2 . 30644 1 92 . 1 . 1 15 15 ARG HG3 H 1 1.757 0.006 . 1 . . . . A 15 ARG HG3 . 30644 1 93 . 1 . 1 15 15 ARG HD2 H 1 3.380 0.005 . 2 . . . . A 15 ARG HD2 . 30644 1 94 . 1 . 1 15 15 ARG HD3 H 1 3.306 0.007 . 2 . . . . A 15 ARG HD3 . 30644 1 95 . 1 . 1 16 16 SER H H 1 8.203 0.000 . 1 . . . . A 16 SER H . 30644 1 96 . 1 . 1 16 16 SER HA H 1 3.512 0.000 . 1 . . . . A 16 SER HA . 30644 1 97 . 1 . 1 16 16 SER HB2 H 1 3.189 0.001 . 2 . . . . A 16 SER HB2 . 30644 1 98 . 1 . 1 16 16 SER HB3 H 1 2.821 0.001 . 2 . . . . A 16 SER HB3 . 30644 1 99 . 1 . 1 17 17 B3D H H 1 8.144 0.001 . 1 . . . . A 17 B3D H . 30644 1 100 . 1 . 1 17 17 B3D HA1 H 1 2.295 0.000 . 2 . . . . A 17 B3D HA1 . 30644 1 101 . 1 . 1 17 17 B3D HA2 H 1 2.329 0.001 . 2 . . . . A 17 B3D HA2 . 30644 1 102 . 1 . 1 17 17 B3D HB H 1 4.503 0.002 . 1 . . . . A 17 B3D HB . 30644 1 103 . 1 . 1 17 17 B3D HG2 H 1 2.359 0.001 . 2 . . . . A 17 B3D HG2 . 30644 1 104 . 1 . 1 17 17 B3D HG3 H 1 2.414 0.001 . 2 . . . . A 17 B3D HG3 . 30644 1 105 . 1 . 1 18 18 GLU H H 1 7.377 0.001 . 1 . . . . A 18 GLU H . 30644 1 106 . 1 . 1 18 18 GLU HA H 1 3.844 0.002 . 1 . . . . A 18 GLU HA . 30644 1 107 . 1 . 1 18 18 GLU HB2 H 1 2.317 0.002 . 2 . . . . A 18 GLU HB2 . 30644 1 108 . 1 . 1 18 18 GLU HB3 H 1 2.173 0.003 . 2 . . . . A 18 GLU HB3 . 30644 1 109 . 1 . 1 18 18 GLU HG2 H 1 2.536 0.003 . 2 . . . . A 18 GLU HG2 . 30644 1 110 . 1 . 1 18 18 GLU HG3 H 1 2.455 0.006 . 2 . . . . A 18 GLU HG3 . 30644 1 111 . 1 . 1 19 19 LEU H H 1 7.364 0.002 . 1 . . . . A 19 LEU H . 30644 1 112 . 1 . 1 19 19 LEU HA H 1 3.157 0.002 . 1 . . . . A 19 LEU HA . 30644 1 113 . 1 . 1 19 19 LEU HB2 H 1 2.266 0.002 . 2 . . . . A 19 LEU HB2 . 30644 1 114 . 1 . 1 19 19 LEU HB3 H 1 1.226 0.003 . 2 . . . . A 19 LEU HB3 . 30644 1 115 . 1 . 1 19 19 LEU HG H 1 1.438 0.000 . 1 . . . . A 19 LEU HG . 30644 1 116 . 1 . 1 19 19 LEU HD11 H 1 0.947 0.002 . 2 . . . . A 19 LEU HD11 . 30644 1 117 . 1 . 1 19 19 LEU HD12 H 1 0.947 0.002 . 2 . . . . A 19 LEU HD12 . 30644 1 118 . 1 . 1 19 19 LEU HD13 H 1 0.947 0.002 . 2 . . . . A 19 LEU HD13 . 30644 1 119 . 1 . 1 19 19 LEU HD21 H 1 0.982 0.001 . 2 . . . . A 19 LEU HD21 . 30644 1 120 . 1 . 1 19 19 LEU HD22 H 1 0.982 0.001 . 2 . . . . A 19 LEU HD22 . 30644 1 121 . 1 . 1 19 19 LEU HD23 H 1 0.982 0.001 . 2 . . . . A 19 LEU HD23 . 30644 1 122 . 1 . 1 20 20 GLN H H 1 7.945 0.000 . 1 . . . . A 20 GLN H . 30644 1 123 . 1 . 1 20 20 GLN HA H 1 3.884 0.001 . 1 . . . . A 20 GLN HA . 30644 1 124 . 1 . 1 20 20 GLN HB2 H 1 2.135 0.003 . 2 . . . . A 20 GLN HB2 . 30644 1 125 . 1 . 1 20 20 GLN HB3 H 1 2.081 0.004 . 2 . . . . A 20 GLN HB3 . 30644 1 126 . 1 . 1 20 20 GLN HG2 H 1 2.499 0.002 . 1 . . . . A 20 GLN HG2 . 30644 1 127 . 1 . 1 20 20 GLN HG3 H 1 2.499 0.002 . 1 . . . . A 20 GLN HG3 . 30644 1 128 . 1 . 1 20 20 GLN HE21 H 1 6.947 0.000 . 2 . . . . A 20 GLN HE21 . 30644 1 129 . 1 . 1 20 20 GLN HE22 H 1 7.229 0.000 . 2 . . . . A 20 GLN HE22 . 30644 1 130 . 1 . 1 21 21 HMR H H 1 7.813 0.001 . 1 . . . . A 21 HMR H . 30644 1 131 . 1 . 1 21 21 HMR HA H 1 4.064 0.003 . 1 . . . . A 21 HMR HA . 30644 1 132 . 1 . 1 21 21 HMR HB2 H 1 1.498 0.000 . 1 . . . . A 21 HMR HB2 . 30644 1 133 . 1 . 1 21 21 HMR HC1 H 1 2.334 0.000 . 1 . . . . A 21 HMR HC1 . 30644 1 134 . 1 . 1 21 21 HMR HD2 H 1 3.074 0.000 . 1 . . . . A 21 HMR HD2 . 30644 1 135 . 1 . 1 21 21 HMR HG2 H 1 1.549 0.001 . 1 . . . . A 21 HMR HG2 . 30644 1 136 . 1 . 1 22 22 HIS H H 1 8.259 0.000 . 1 . . . . A 22 HIS H . 30644 1 137 . 1 . 1 22 22 HIS HA H 1 4.149 0.001 . 1 . . . . A 22 HIS HA . 30644 1 138 . 1 . 1 22 22 HIS HB2 H 1 3.216 0.000 . 2 . . . . A 22 HIS HB2 . 30644 1 139 . 1 . 1 22 22 HIS HB3 H 1 2.737 0.001 . 2 . . . . A 22 HIS HB3 . 30644 1 140 . 1 . 1 22 22 HIS HD2 H 1 7.036 0.000 . 1 . . . . A 22 HIS HD2 . 30644 1 141 . 1 . 1 22 22 HIS HE1 H 1 7.905 0.000 . 1 . . . . A 22 HIS HE1 . 30644 1 142 . 1 . 1 23 23 LYS H H 1 8.608 0.000 . 1 . . . . A 23 LYS H . 30644 1 143 . 1 . 1 23 23 LYS HA H 1 3.407 0.002 . 1 . . . . A 23 LYS HA . 30644 1 144 . 1 . 1 23 23 LYS HB2 H 1 1.921 0.001 . 1 . . . . A 23 LYS HB2 . 30644 1 145 . 1 . 1 23 23 LYS HB3 H 1 1.921 0.001 . 1 . . . . A 23 LYS HB3 . 30644 1 146 . 1 . 1 23 23 LYS HG2 H 1 1.577 0.000 . 1 . . . . A 23 LYS HG2 . 30644 1 147 . 1 . 1 23 23 LYS HG3 H 1 1.577 0.000 . 1 . . . . A 23 LYS HG3 . 30644 1 148 . 1 . 1 23 23 LYS HD2 H 1 1.847 0.004 . 2 . . . . A 23 LYS HD2 . 30644 1 149 . 1 . 1 23 23 LYS HD3 H 1 1.772 0.004 . 2 . . . . A 23 LYS HD3 . 30644 1 150 . 1 . 1 23 23 LYS HE2 H 1 3.168 0.004 . 1 . . . . A 23 LYS HE2 . 30644 1 151 . 1 . 1 23 23 LYS HE3 H 1 3.168 0.004 . 1 . . . . A 23 LYS HE3 . 30644 1 152 . 1 . 1 24 24 HMR H H 1 6.835 0.001 . 1 . . . . A 24 HMR H . 30644 1 153 . 1 . 1 24 24 HMR HA H 1 4.104 0.003 . 1 . . . . A 24 HMR HA . 30644 1 154 . 1 . 1 24 24 HMR HB2 H 1 1.572 0.000 . 2 . . . . A 24 HMR HB2 . 30644 1 155 . 1 . 1 24 24 HMR HB3 H 1 1.622 0.000 . 2 . . . . A 24 HMR HB3 . 30644 1 156 . 1 . 1 24 24 HMR HC1 H 1 2.317 0.003 . 2 . . . . A 24 HMR HC1 . 30644 1 157 . 1 . 1 24 24 HMR HC2 H 1 2.433 0.001 . 2 . . . . A 24 HMR HC2 . 30644 1 158 . 1 . 1 24 24 HMR HD2 H 1 3.122 0.000 . 1 . . . . A 24 HMR HD2 . 30644 1 159 . 1 . 1 24 24 HMR HG2 H 1 1.685 0.000 . 1 . . . . A 24 HMR HG2 . 30644 1 160 . 1 . 1 25 25 THR H H 1 7.462 0.000 . 1 . . . . A 25 THR H . 30644 1 161 . 1 . 1 25 25 THR HA H 1 3.743 0.001 . 1 . . . . A 25 THR HA . 30644 1 162 . 1 . 1 25 25 THR HB H 1 3.550 0.002 . 1 . . . . A 25 THR HB . 30644 1 163 . 1 . 1 25 25 THR HG21 H 1 0.829 0.000 . 1 . . . . A 25 THR HG21 . 30644 1 164 . 1 . 1 25 25 THR HG22 H 1 0.829 0.000 . 1 . . . . A 25 THR HG22 . 30644 1 165 . 1 . 1 25 25 THR HG23 H 1 0.829 0.000 . 1 . . . . A 25 THR HG23 . 30644 1 166 . 1 . 1 26 26 HIS H H 1 7.156 0.000 . 1 . . . . A 26 HIS H . 30644 1 167 . 1 . 1 26 26 HIS HA H 1 4.266 0.001 . 1 . . . . A 26 HIS HA . 30644 1 168 . 1 . 1 26 26 HIS HB2 H 1 2.255 0.001 . 2 . . . . A 26 HIS HB2 . 30644 1 169 . 1 . 1 26 26 HIS HB3 H 1 1.063 0.001 . 2 . . . . A 26 HIS HB3 . 30644 1 170 . 1 . 1 26 26 HIS HD2 H 1 6.142 0.000 . 1 . . . . A 26 HIS HD2 . 30644 1 171 . 1 . 1 26 26 HIS HE1 H 1 7.980 0.000 . 1 . . . . A 26 HIS HE1 . 30644 1 172 . 1 . 1 27 27 B3T H1D2 H 1 1.022 0.000 . 1 . . . . A 27 B3T H1D2 . 30644 1 173 . 1 . 1 27 27 B3T HA H 1 2.475 0.000 . 2 . . . . A 27 B3T HA . 30644 1 174 . 1 . 1 27 27 B3T HAA H 1 2.582 0.002 . 2 . . . . A 27 B3T HAA . 30644 1 175 . 1 . 1 27 27 B3T HB H 1 4.069 0.001 . 1 . . . . A 27 B3T HB . 30644 1 176 . 1 . 1 27 27 B3T HG H 1 3.881 0.002 . 1 . . . . A 27 B3T HG . 30644 1 177 . 1 . 1 27 27 B3T HN H 1 7.168 0.000 . 1 . . . . A 27 B3T HN . 30644 1 178 . 1 . 1 28 28 GLY H H 1 8.062 0.000 . 1 . . . . A 28 GLY H . 30644 1 179 . 1 . 1 28 28 GLY HA2 H 1 3.978 0.002 . 2 . . . . A 28 GLY HA2 . 30644 1 180 . 1 . 1 28 28 GLY HA3 H 1 3.739 0.001 . 2 . . . . A 28 GLY HA3 . 30644 1 181 . 1 . 1 29 29 GLU H H 1 8.354 0.000 . 1 . . . . A 29 GLU H . 30644 1 182 . 1 . 1 29 29 GLU HA H 1 4.255 0.001 . 1 . . . . A 29 GLU HA . 30644 1 183 . 1 . 1 29 29 GLU HB2 H 1 2.075 0.001 . 2 . . . . A 29 GLU HB2 . 30644 1 184 . 1 . 1 29 29 GLU HB3 H 1 1.998 0.001 . 2 . . . . A 29 GLU HB3 . 30644 1 185 . 1 . 1 29 29 GLU HG2 H 1 2.305 0.000 . 2 . . . . A 29 GLU HG2 . 30644 1 186 . 1 . 1 29 29 GLU HG3 H 1 2.258 0.000 . 2 . . . . A 29 GLU HG3 . 30644 1 187 . 1 . 1 30 30 LYS H H 1 8.338 0.000 . 1 . . . . A 30 LYS H . 30644 1 188 . 1 . 1 30 30 LYS HA H 1 4.284 0.001 . 1 . . . . A 30 LYS HA . 30644 1 189 . 1 . 1 30 30 LYS HB2 H 1 1.882 0.004 . 2 . . . . A 30 LYS HB2 . 30644 1 190 . 1 . 1 30 30 LYS HB3 H 1 1.802 0.002 . 2 . . . . A 30 LYS HB3 . 30644 1 191 . 1 . 1 30 30 LYS HG2 H 1 1.446 0.000 . 1 . . . . A 30 LYS HG2 . 30644 1 192 . 1 . 1 30 30 LYS HG3 H 1 1.446 0.000 . 1 . . . . A 30 LYS HG3 . 30644 1 193 . 1 . 1 30 30 LYS HD2 H 1 1.700 0.001 . 2 . . . . A 30 LYS HD2 . 30644 1 194 . 1 . 1 30 30 LYS HD3 H 1 1.499 0.001 . 2 . . . . A 30 LYS HD3 . 30644 1 195 . 1 . 1 30 30 LYS HE2 H 1 3.018 0.001 . 1 . . . . A 30 LYS HE2 . 30644 1 196 . 1 . 1 30 30 LYS HE3 H 1 3.018 0.001 . 1 . . . . A 30 LYS HE3 . 30644 1 stop_ save_