################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25313 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 25313 1 2 '2D 1H-1H NOESY' . . . 25313 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XEASY . . 25313 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 SER HA H 1 4.364 0.020 . 1 . . . A 433 SER HA . 25313 1 2 . 1 1 1 1 SER HB2 H 1 3.819 0.020 . 2 . . . A 433 SER HB2 . 25313 1 3 . 1 1 1 1 SER HB3 H 1 3.705 0.020 . 2 . . . A 433 SER HB3 . 25313 1 4 . 1 1 2 2 GLU H H 1 8.795 0.020 . 1 . . . A 434 GLU H . 25313 1 5 . 1 1 2 2 GLU HA H 1 4.011 0.020 . 1 . . . A 434 GLU HA . 25313 1 6 . 1 1 2 2 GLU HB2 H 1 1.686 0.020 . 2 . . . A 434 GLU HB2 . 25313 1 7 . 1 1 2 2 GLU HB3 H 1 1.632 0.020 . 2 . . . A 434 GLU HB3 . 25313 1 8 . 1 1 2 2 GLU HG2 H 1 1.784 0.020 . 2 . . . A 434 GLU HG2 . 25313 1 9 . 1 1 3 3 TRP H H 1 7.984 0.020 . 1 . . . A 435 TRP H . 25313 1 10 . 1 1 3 3 TRP HA H 1 5.038 0.020 . 1 . . . A 435 TRP HA . 25313 1 11 . 1 1 3 3 TRP HB2 H 1 2.886 0.020 . 2 . . . A 435 TRP HB2 . 25313 1 12 . 1 1 3 3 TRP HB3 H 1 2.760 0.020 . 2 . . . A 435 TRP HB3 . 25313 1 13 . 1 1 3 3 TRP HD1 H 1 7.033 0.020 . 1 . . . A 435 TRP HD1 . 25313 1 14 . 1 1 3 3 TRP HE1 H 1 10.075 0.020 . 1 . . . A 435 TRP HE1 . 25313 1 15 . 1 1 3 3 TRP HE3 H 1 7.079 0.020 . 1 . . . A 435 TRP HE3 . 25313 1 16 . 1 1 3 3 TRP HZ2 H 1 7.264 0.020 . 1 . . . A 435 TRP HZ2 . 25313 1 17 . 1 1 3 3 TRP HZ3 H 1 6.720 0.020 . 1 . . . A 435 TRP HZ3 . 25313 1 18 . 1 1 3 3 TRP HH2 H 1 6.824 0.020 . 1 . . . A 435 TRP HH2 . 25313 1 19 . 1 1 4 4 THR H H 1 9.444 0.020 . 1 . . . A 436 THR H . 25313 1 20 . 1 1 4 4 THR HA H 1 4.520 0.020 . 1 . . . A 436 THR HA . 25313 1 21 . 1 1 4 4 THR HB H 1 3.899 0.020 . 1 . . . A 436 THR HB . 25313 1 22 . 1 1 4 4 THR HG21 H 1 1.084 0.020 . 1 . . . A 436 THR HG21 . 25313 1 23 . 1 1 4 4 THR HG22 H 1 1.084 0.020 . 1 . . . A 436 THR HG22 . 25313 1 24 . 1 1 4 4 THR HG23 H 1 1.084 0.020 . 1 . . . A 436 THR HG23 . 25313 1 25 . 1 1 5 5 GLU H H 1 8.548 0.020 . 1 . . . A 437 GLU H . 25313 1 26 . 1 1 5 5 GLU HA H 1 4.073 0.020 . 1 . . . A 437 GLU HA . 25313 1 27 . 1 1 5 5 GLU HB2 H 1 1.714 0.020 . 2 . . . A 437 GLU HB2 . 25313 1 28 . 1 1 5 5 GLU HB3 H 1 1.637 0.020 . 2 . . . A 437 GLU HB3 . 25313 1 29 . 1 1 5 5 GLU HG2 H 1 1.754 0.020 . 2 . . . A 437 GLU HG2 . 25313 1 30 . 1 1 6 6 ARG H H 1 8.503 0.020 . 1 . . . A 438 ARG H . 25313 1 31 . 1 1 6 6 ARG HA H 1 4.159 0.020 . 1 . . . A 438 ARG HA . 25313 1 32 . 1 1 6 6 ARG HB2 H 1 1.072 0.020 . 2 . . . A 438 ARG HB2 . 25313 1 33 . 1 1 6 6 ARG HB3 H 1 -0.245 0.020 . 2 . . . A 438 ARG HB3 . 25313 1 34 . 1 1 7 7 LYS H H 1 7.837 0.020 . 1 . . . A 439 LYS H . 25313 1 35 . 1 1 7 7 LYS HA H 1 5.303 0.020 . 1 . . . A 439 LYS HA . 25313 1 36 . 1 1 7 7 LYS HB2 H 1 1.437 0.020 . 2 . . . A 439 LYS HB2 . 25313 1 37 . 1 1 7 7 LYS HB3 H 1 1.385 0.020 . 2 . . . A 439 LYS HB3 . 25313 1 38 . 1 1 7 7 LYS HG2 H 1 1.328 0.020 . 2 . . . A 439 LYS HG2 . 25313 1 39 . 1 1 7 7 LYS HG3 H 1 1.100 0.020 . 2 . . . A 439 LYS HG3 . 25313 1 40 . 1 1 7 7 LYS HD2 H 1 1.251 0.020 . 2 . . . A 439 LYS HD2 . 25313 1 41 . 1 1 7 7 LYS HE2 H 1 2.653 0.020 . 2 . . . A 439 LYS HE2 . 25313 1 42 . 1 1 8 8 THR H H 1 9.139 0.020 . 1 . . . A 440 THR H . 25313 1 43 . 1 1 8 8 THR HA H 1 4.632 0.020 . 1 . . . A 440 THR HA . 25313 1 44 . 1 1 8 8 THR HB H 1 4.448 0.020 . 1 . . . A 440 THR HB . 25313 1 45 . 1 1 8 8 THR HG21 H 1 1.319 0.020 . 1 . . . A 440 THR HG21 . 25313 1 46 . 1 1 8 8 THR HG22 H 1 1.319 0.020 . 1 . . . A 440 THR HG22 . 25313 1 47 . 1 1 8 8 THR HG23 H 1 1.319 0.020 . 1 . . . A 440 THR HG23 . 25313 1 48 . 1 1 9 9 ALA H H 1 9.083 0.020 . 1 . . . A 441 ALA H . 25313 1 49 . 1 1 9 9 ALA HA H 1 3.971 0.020 . 1 . . . A 441 ALA HA . 25313 1 50 . 1 1 9 9 ALA HB1 H 1 1.272 0.020 . 1 . . . A 441 ALA HB1 . 25313 1 51 . 1 1 9 9 ALA HB2 H 1 1.272 0.020 . 1 . . . A 441 ALA HB2 . 25313 1 52 . 1 1 9 9 ALA HB3 H 1 1.272 0.020 . 1 . . . A 441 ALA HB3 . 25313 1 53 . 1 1 10 10 ASP H H 1 7.870 0.020 . 1 . . . A 442 ASP H . 25313 1 54 . 1 1 10 10 ASP HA H 1 4.470 0.020 . 1 . . . A 442 ASP HA . 25313 1 55 . 1 1 10 10 ASP HB2 H 1 2.638 0.020 . 2 . . . A 442 ASP HB2 . 25313 1 56 . 1 1 10 10 ASP HB3 H 1 2.443 0.020 . 2 . . . A 442 ASP HB3 . 25313 1 57 . 1 1 11 11 GLY H H 1 7.785 0.020 . 1 . . . A 443 GLY H . 25313 1 58 . 1 1 11 11 GLY HA2 H 1 3.425 0.020 . 2 . . . A 443 GLY HA2 . 25313 1 59 . 1 1 11 11 GLY HA3 H 1 3.975 0.020 . 2 . . . A 443 GLY HA3 . 25313 1 60 . 1 1 12 12 LYS H H 1 7.816 0.020 . 1 . . . A 444 LYS H . 25313 1 61 . 1 1 12 12 LYS HA H 1 4.360 0.020 . 1 . . . A 444 LYS HA . 25313 1 62 . 1 1 12 12 LYS HB2 H 1 1.829 0.020 . 2 . . . A 444 LYS HB2 . 25313 1 63 . 1 1 12 12 LYS HB3 H 1 1.350 0.020 . 2 . . . A 444 LYS HB3 . 25313 1 64 . 1 1 12 12 LYS HG2 H 1 1.258 0.020 . 2 . . . A 444 LYS HG2 . 25313 1 65 . 1 1 12 12 LYS HG3 H 1 1.186 0.020 . 2 . . . A 444 LYS HG3 . 25313 1 66 . 1 1 12 12 LYS HD2 H 1 1.150 0.020 . 2 . . . A 444 LYS HD2 . 25313 1 67 . 1 1 12 12 LYS HE2 H 1 2.556 0.020 . 2 . . . A 444 LYS HE2 . 25313 1 68 . 1 1 13 13 THR H H 1 8.623 0.020 . 1 . . . A 445 THR H . 25313 1 69 . 1 1 13 13 THR HA H 1 4.697 0.020 . 1 . . . A 445 THR HA . 25313 1 70 . 1 1 13 13 THR HB H 1 3.916 0.020 . 1 . . . A 445 THR HB . 25313 1 71 . 1 1 13 13 THR HG21 H 1 0.722 0.020 . 1 . . . A 445 THR HG21 . 25313 1 72 . 1 1 13 13 THR HG22 H 1 0.722 0.020 . 1 . . . A 445 THR HG22 . 25313 1 73 . 1 1 13 13 THR HG23 H 1 0.722 0.020 . 1 . . . A 445 THR HG23 . 25313 1 74 . 1 1 14 14 TYR H H 1 8.534 0.020 . 1 . . . A 446 TYR H . 25313 1 75 . 1 1 14 14 TYR HA H 1 4.358 0.020 . 1 . . . A 446 TYR HA . 25313 1 76 . 1 1 14 14 TYR HB2 H 1 2.401 0.020 . 2 . . . A 446 TYR HB2 . 25313 1 77 . 1 1 14 14 TYR HB3 H 1 2.134 0.020 . 2 . . . A 446 TYR HB3 . 25313 1 78 . 1 1 14 14 TYR HD2 H 1 6.568 0.020 . 3 . . . A 446 TYR HD2 . 25313 1 79 . 1 1 14 14 TYR HE2 H 1 6.169 0.020 . 3 . . . A 446 TYR HE2 . 25313 1 80 . 1 1 15 15 TYR H H 1 8.718 0.020 . 1 . . . A 447 TYR H . 25313 1 81 . 1 1 15 15 TYR HA H 1 4.860 0.020 . 1 . . . A 447 TYR HA . 25313 1 82 . 1 1 15 15 TYR HB2 H 1 2.505 0.020 . 2 . . . A 447 TYR HB2 . 25313 1 83 . 1 1 15 15 TYR HB3 H 1 2.403 0.020 . 2 . . . A 447 TYR HB3 . 25313 1 84 . 1 1 15 15 TYR HD2 H 1 6.543 0.020 . 3 . . . A 447 TYR HD2 . 25313 1 85 . 1 1 15 15 TYR HE2 H 1 6.481 0.020 . 3 . . . A 447 TYR HE2 . 25313 1 86 . 1 1 16 16 TYR H H 1 9.129 0.020 . 1 . . . A 448 TYR H . 25313 1 87 . 1 1 16 16 TYR HA H 1 5.295 0.020 . 1 . . . A 448 TYR HA . 25313 1 88 . 1 1 16 16 TYR HB2 H 1 2.426 0.020 . 2 . . . A 448 TYR HB2 . 25313 1 89 . 1 1 16 16 TYR HB3 H 1 2.520 0.020 . 2 . . . A 448 TYR HB3 . 25313 1 90 . 1 1 16 16 TYR HD2 H 1 6.708 0.020 . 3 . . . A 448 TYR HD2 . 25313 1 91 . 1 1 16 16 TYR HE2 H 1 6.395 0.020 . 3 . . . A 448 TYR HE2 . 25313 1 92 . 1 1 17 17 ASN H H 1 8.091 0.020 . 1 . . . A 449 ASN H . 25313 1 93 . 1 1 17 17 ASN HA H 1 3.598 0.020 . 1 . . . A 449 ASN HA . 25313 1 94 . 1 1 17 17 ASN HB2 H 1 2.140 0.020 . 2 . . . A 449 ASN HB2 . 25313 1 95 . 1 1 17 17 ASN HB3 H 1 0.029 0.020 . 2 . . . A 449 ASN HB3 . 25313 1 96 . 1 1 17 17 ASN HD21 H 1 6.921 0.020 . 2 . . . A 449 ASN HD21 . 25313 1 97 . 1 1 17 17 ASN HD22 H 1 4.370 0.020 . 2 . . . A 449 ASN HD22 . 25313 1 98 . 1 1 18 18 ASN H H 1 8.311 0.020 . 1 . . . A 450 ASN H . 25313 1 99 . 1 1 18 18 ASN HA H 1 3.967 0.020 . 1 . . . A 450 ASN HA . 25313 1 100 . 1 1 18 18 ASN HB2 H 1 2.544 0.020 . 2 . . . A 450 ASN HB2 . 25313 1 101 . 1 1 18 18 ASN HB3 H 1 2.498 0.020 . 2 . . . A 450 ASN HB3 . 25313 1 102 . 1 1 18 18 ASN HD21 H 1 7.146 0.020 . 2 . . . A 450 ASN HD21 . 25313 1 103 . 1 1 18 18 ASN HD22 H 1 6.905 0.020 . 2 . . . A 450 ASN HD22 . 25313 1 104 . 1 1 19 19 ARG H H 1 8.323 0.020 . 1 . . . A 451 ARG H . 25313 1 105 . 1 1 19 19 ARG HA H 1 4.066 0.020 . 1 . . . A 451 ARG HA . 25313 1 106 . 1 1 19 19 ARG HB2 H 1 1.699 0.020 . 2 . . . A 451 ARG HB2 . 25313 1 107 . 1 1 19 19 ARG HB3 H 1 1.436 0.020 . 2 . . . A 451 ARG HB3 . 25313 1 108 . 1 1 19 19 ARG HG2 H 1 1.263 0.020 . 2 . . . A 451 ARG HG2 . 25313 1 109 . 1 1 19 19 ARG HG3 H 1 1.075 0.020 . 2 . . . A 451 ARG HG3 . 25313 1 110 . 1 1 19 19 ARG HD2 H 1 3.023 0.020 . 2 . . . A 451 ARG HD2 . 25313 1 111 . 1 1 19 19 ARG HD3 H 1 2.799 0.020 . 2 . . . A 451 ARG HD3 . 25313 1 112 . 1 1 19 19 ARG HE H 1 7.633 0.020 . 1 . . . A 451 ARG HE . 25313 1 113 . 1 1 20 20 THR H H 1 7.670 0.020 . 1 . . . A 452 THR H . 25313 1 114 . 1 1 20 20 THR HA H 1 3.803 0.020 . 1 . . . A 452 THR HA . 25313 1 115 . 1 1 20 20 THR HB H 1 3.983 0.020 . 1 . . . A 452 THR HB . 25313 1 116 . 1 1 20 20 THR HG21 H 1 0.716 0.020 . 1 . . . A 452 THR HG21 . 25313 1 117 . 1 1 20 20 THR HG22 H 1 0.716 0.020 . 1 . . . A 452 THR HG22 . 25313 1 118 . 1 1 20 20 THR HG23 H 1 0.716 0.020 . 1 . . . A 452 THR HG23 . 25313 1 119 . 1 1 21 21 LEU H H 1 7.711 0.020 . 1 . . . A 453 LEU H . 25313 1 120 . 1 1 21 21 LEU HA H 1 3.513 0.020 . 1 . . . A 453 LEU HA . 25313 1 121 . 1 1 21 21 LEU HB2 H 1 1.860 0.020 . 2 . . . A 453 LEU HB2 . 25313 1 122 . 1 1 21 21 LEU HB3 H 1 1.519 0.020 . 2 . . . A 453 LEU HB3 . 25313 1 123 . 1 1 21 21 LEU HG H 1 1.067 0.020 . 1 . . . A 453 LEU HG . 25313 1 124 . 1 1 21 21 LEU HD11 H 1 0.635 0.020 . 2 . . . A 453 LEU HD11 . 25313 1 125 . 1 1 21 21 LEU HD12 H 1 0.635 0.020 . 2 . . . A 453 LEU HD12 . 25313 1 126 . 1 1 21 21 LEU HD13 H 1 0.635 0.020 . 2 . . . A 453 LEU HD13 . 25313 1 127 . 1 1 21 21 LEU HD21 H 1 0.561 0.020 . 2 . . . A 453 LEU HD21 . 25313 1 128 . 1 1 21 21 LEU HD22 H 1 0.561 0.020 . 2 . . . A 453 LEU HD22 . 25313 1 129 . 1 1 21 21 LEU HD23 H 1 0.561 0.020 . 2 . . . A 453 LEU HD23 . 25313 1 130 . 1 1 22 22 GLU H H 1 6.934 0.020 . 1 . . . A 454 GLU H . 25313 1 131 . 1 1 22 22 GLU HA H 1 4.100 0.020 . 1 . . . A 454 GLU HA . 25313 1 132 . 1 1 22 22 GLU HB2 H 1 1.752 0.020 . 2 . . . A 454 GLU HB2 . 25313 1 133 . 1 1 22 22 GLU HB3 H 1 1.525 0.020 . 2 . . . A 454 GLU HB3 . 25313 1 134 . 1 1 22 22 GLU HG2 H 1 2.015 0.020 . 2 . . . A 454 GLU HG2 . 25313 1 135 . 1 1 22 22 GLU HG3 H 1 1.904 0.020 . 2 . . . A 454 GLU HG3 . 25313 1 136 . 1 1 23 23 SER H H 1 8.254 0.020 . 1 . . . A 455 SER H . 25313 1 137 . 1 1 23 23 SER HA H 1 5.784 0.020 . 1 . . . A 455 SER HA . 25313 1 138 . 1 1 23 23 SER HB2 H 1 3.454 0.020 . 2 . . . A 455 SER HB2 . 25313 1 139 . 1 1 24 24 THR H H 1 9.204 0.020 . 1 . . . A 456 THR H . 25313 1 140 . 1 1 24 24 THR HA H 1 4.538 0.020 . 1 . . . A 456 THR HA . 25313 1 141 . 1 1 24 24 THR HB H 1 4.002 0.020 . 1 . . . A 456 THR HB . 25313 1 142 . 1 1 24 24 THR HG21 H 1 0.820 0.020 . 1 . . . A 456 THR HG21 . 25313 1 143 . 1 1 24 24 THR HG22 H 1 0.820 0.020 . 1 . . . A 456 THR HG22 . 25313 1 144 . 1 1 24 24 THR HG23 H 1 0.820 0.020 . 1 . . . A 456 THR HG23 . 25313 1 145 . 1 1 25 25 TRP H H 1 8.322 0.020 . 1 . . . A 457 TRP H . 25313 1 146 . 1 1 25 25 TRP HA H 1 4.719 0.020 . 1 . . . A 457 TRP HA . 25313 1 147 . 1 1 25 25 TRP HB2 H 1 3.443 0.020 . 2 . . . A 457 TRP HB2 . 25313 1 148 . 1 1 25 25 TRP HB3 H 1 2.941 0.020 . 2 . . . A 457 TRP HB3 . 25313 1 149 . 1 1 25 25 TRP HD1 H 1 7.167 0.020 . 1 . . . A 457 TRP HD1 . 25313 1 150 . 1 1 25 25 TRP HE1 H 1 9.888 0.020 . 1 . . . A 457 TRP HE1 . 25313 1 151 . 1 1 25 25 TRP HE3 H 1 7.856 0.020 . 1 . . . A 457 TRP HE3 . 25313 1 152 . 1 1 25 25 TRP HZ2 H 1 7.091 0.020 . 1 . . . A 457 TRP HZ2 . 25313 1 153 . 1 1 25 25 TRP HZ3 H 1 6.676 0.020 . 1 . . . A 457 TRP HZ3 . 25313 1 154 . 1 1 25 25 TRP HH2 H 1 6.824 0.020 . 1 . . . A 457 TRP HH2 . 25313 1 155 . 1 1 26 26 GLU H H 1 7.805 0.020 . 1 . . . A 458 GLU H . 25313 1 156 . 1 1 26 26 GLU HA H 1 4.217 0.020 . 1 . . . A 458 GLU HA . 25313 1 157 . 1 1 26 26 GLU HB2 H 1 1.593 0.020 . 2 . . . A 458 GLU HB2 . 25313 1 158 . 1 1 26 26 GLU HB3 H 1 1.542 0.020 . 2 . . . A 458 GLU HB3 . 25313 1 159 . 1 1 26 26 GLU HG2 H 1 1.939 0.020 . 2 . . . A 458 GLU HG2 . 25313 1 160 . 1 1 27 27 LYS H H 1 8.007 0.020 . 1 . . . A 459 LYS H . 25313 1 161 . 1 1 27 27 LYS HA H 1 2.627 0.020 . 1 . . . A 459 LYS HA . 25313 1 162 . 1 1 27 27 LYS HB2 H 1 1.246 0.020 . 2 . . . A 459 LYS HB2 . 25313 1 163 . 1 1 27 27 LYS HB3 H 1 1.157 0.020 . 2 . . . A 459 LYS HB3 . 25313 1 164 . 1 1 27 27 LYS HG2 H 1 1.021 0.020 . 2 . . . A 459 LYS HG2 . 25313 1 165 . 1 1 27 27 LYS HD2 H 1 0.859 0.020 . 2 . . . A 459 LYS HD2 . 25313 1 166 . 1 1 27 27 LYS HD3 H 1 0.548 0.020 . 2 . . . A 459 LYS HD3 . 25313 1 167 . 1 1 28 28 PRO HA H 1 3.568 0.020 . 1 . . . A 460 PRO HA . 25313 1 168 . 1 1 28 28 PRO HB2 H 1 1.041 0.020 . 2 . . . A 460 PRO HB2 . 25313 1 169 . 1 1 28 28 PRO HB3 H 1 0.933 0.020 . 2 . . . A 460 PRO HB3 . 25313 1 170 . 1 1 28 28 PRO HG2 H 1 0.474 0.020 . 2 . . . A 460 PRO HG2 . 25313 1 171 . 1 1 28 28 PRO HG3 H 1 0.186 0.020 . 2 . . . A 460 PRO HG3 . 25313 1 172 . 1 1 28 28 PRO HD2 H 1 2.388 0.020 . 2 . . . A 460 PRO HD2 . 25313 1 173 . 1 1 28 28 PRO HD3 H 1 2.115 0.020 . 2 . . . A 460 PRO HD3 . 25313 1 stop_ save_