################################### # 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 25314 _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' . . . 25314 1 2 '2D 1H-1H NOESY' . . . 25314 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 . . 25314 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 4.368 0.020 . 1 . . . A 433 SER HA . 25314 1 2 . 1 1 1 1 SER HB2 H 1 3.818 0.020 . 2 . . . A 433 SER HB2 . 25314 1 3 . 1 1 1 1 SER HB3 H 1 3.690 0.020 . 2 . . . A 433 SER HB3 . 25314 1 4 . 1 1 2 2 GLU H H 1 8.797 0.020 . 1 . . . A 434 GLU H . 25314 1 5 . 1 1 2 2 GLU HA H 1 4.018 0.020 . 1 . . . A 434 GLU HA . 25314 1 6 . 1 1 2 2 GLU HB2 H 1 1.702 0.020 . 2 . . . A 434 GLU HB2 . 25314 1 7 . 1 1 2 2 GLU HB3 H 1 1.635 0.020 . 2 . . . A 434 GLU HB3 . 25314 1 8 . 1 1 2 2 GLU HG2 H 1 1.797 0.020 . 2 . . . A 434 GLU HG2 . 25314 1 9 . 1 1 3 3 TRP H H 1 8.000 0.020 . 1 . . . A 435 TRP H . 25314 1 10 . 1 1 3 3 TRP HA H 1 5.023 0.020 . 1 . . . A 435 TRP HA . 25314 1 11 . 1 1 3 3 TRP HB2 H 1 2.881 0.020 . 2 . . . A 435 TRP HB2 . 25314 1 12 . 1 1 3 3 TRP HB3 H 1 2.760 0.020 . 2 . . . A 435 TRP HB3 . 25314 1 13 . 1 1 3 3 TRP HD1 H 1 7.032 0.020 . 1 . . . A 435 TRP HD1 . 25314 1 14 . 1 1 3 3 TRP HE1 H 1 10.077 0.020 . 1 . . . A 435 TRP HE1 . 25314 1 15 . 1 1 3 3 TRP HE3 H 1 7.040 0.020 . 1 . . . A 435 TRP HE3 . 25314 1 16 . 1 1 3 3 TRP HZ2 H 1 7.259 0.020 . 1 . . . A 435 TRP HZ2 . 25314 1 17 . 1 1 3 3 TRP HZ3 H 1 6.699 0.020 . 1 . . . A 435 TRP HZ3 . 25314 1 18 . 1 1 3 3 TRP HH2 H 1 6.812 0.020 . 1 . . . A 435 TRP HH2 . 25314 1 19 . 1 1 4 4 THR H H 1 9.486 0.020 . 1 . . . A 436 THR H . 25314 1 20 . 1 1 4 4 THR HA H 1 4.520 0.020 . 1 . . . A 436 THR HA . 25314 1 21 . 1 1 4 4 THR HB H 1 3.902 0.020 . 1 . . . A 436 THR HB . 25314 1 22 . 1 1 4 4 THR HG21 H 1 1.099 0.020 . 1 . . . A 436 THR HG21 . 25314 1 23 . 1 1 4 4 THR HG22 H 1 1.099 0.020 . 1 . . . A 436 THR HG22 . 25314 1 24 . 1 1 4 4 THR HG23 H 1 1.099 0.020 . 1 . . . A 436 THR HG23 . 25314 1 25 . 1 1 5 5 GLU H H 1 8.559 0.020 . 1 . . . A 437 GLU H . 25314 1 26 . 1 1 5 5 GLU HA H 1 4.050 0.020 . 1 . . . A 437 GLU HA . 25314 1 27 . 1 1 5 5 GLU HB2 H 1 1.722 0.020 . 2 . . . A 437 GLU HB2 . 25314 1 28 . 1 1 5 5 GLU HB3 H 1 1.632 0.020 . 2 . . . A 437 GLU HB3 . 25314 1 29 . 1 1 5 5 GLU HG2 H 1 1.768 0.020 . 2 . . . A 437 GLU HG2 . 25314 1 30 . 1 1 6 6 ARG H H 1 8.511 0.020 . 1 . . . A 438 ARG H . 25314 1 31 . 1 1 6 6 ARG HA H 1 4.160 0.020 . 1 . . . A 438 ARG HA . 25314 1 32 . 1 1 6 6 ARG HB2 H 1 1.077 0.020 . 2 . . . A 438 ARG HB2 . 25314 1 33 . 1 1 6 6 ARG HB3 H 1 -0.212 0.020 . 2 . . . A 438 ARG HB3 . 25314 1 34 . 1 1 6 6 ARG HD2 H 1 2.637 0.020 . 2 . . . A 438 ARG HD2 . 25314 1 35 . 1 1 7 7 LYS H H 1 7.839 0.020 . 1 . . . A 439 LYS H . 25314 1 36 . 1 1 7 7 LYS HA H 1 5.297 0.020 . 1 . . . A 439 LYS HA . 25314 1 37 . 1 1 7 7 LYS HB2 H 1 1.451 0.020 . 2 . . . A 439 LYS HB2 . 25314 1 38 . 1 1 7 7 LYS HB3 H 1 1.415 0.020 . 2 . . . A 439 LYS HB3 . 25314 1 39 . 1 1 7 7 LYS HG2 H 1 1.347 0.020 . 2 . . . A 439 LYS HG2 . 25314 1 40 . 1 1 7 7 LYS HG3 H 1 1.130 0.020 . 2 . . . A 439 LYS HG3 . 25314 1 41 . 1 1 7 7 LYS HD2 H 1 1.288 0.020 . 2 . . . A 439 LYS HD2 . 25314 1 42 . 1 1 7 7 LYS HE2 H 1 2.648 0.020 . 2 . . . A 439 LYS HE2 . 25314 1 43 . 1 1 8 8 THR H H 1 9.147 0.020 . 1 . . . A 440 THR H . 25314 1 44 . 1 1 8 8 THR HA H 1 4.636 0.020 . 1 . . . A 440 THR HA . 25314 1 45 . 1 1 8 8 THR HB H 1 4.449 0.020 . 1 . . . A 440 THR HB . 25314 1 46 . 1 1 8 8 THR HG21 H 1 1.317 0.020 . 1 . . . A 440 THR HG21 . 25314 1 47 . 1 1 8 8 THR HG22 H 1 1.317 0.020 . 1 . . . A 440 THR HG22 . 25314 1 48 . 1 1 8 8 THR HG23 H 1 1.317 0.020 . 1 . . . A 440 THR HG23 . 25314 1 49 . 1 1 9 9 ALA H H 1 9.087 0.020 . 1 . . . A 441 ALA H . 25314 1 50 . 1 1 9 9 ALA HA H 1 3.959 0.020 . 1 . . . A 441 ALA HA . 25314 1 51 . 1 1 9 9 ALA HB1 H 1 1.273 0.020 . 1 . . . A 441 ALA HB1 . 25314 1 52 . 1 1 9 9 ALA HB2 H 1 1.273 0.020 . 1 . . . A 441 ALA HB2 . 25314 1 53 . 1 1 9 9 ALA HB3 H 1 1.273 0.020 . 1 . . . A 441 ALA HB3 . 25314 1 54 . 1 1 10 10 ASP H H 1 7.875 0.020 . 1 . . . A 442 ASP H . 25314 1 55 . 1 1 10 10 ASP HA H 1 4.470 0.020 . 1 . . . A 442 ASP HA . 25314 1 56 . 1 1 10 10 ASP HB2 H 1 2.628 0.020 . 2 . . . A 442 ASP HB2 . 25314 1 57 . 1 1 10 10 ASP HB3 H 1 2.454 0.020 . 2 . . . A 442 ASP HB3 . 25314 1 58 . 1 1 11 11 GLY H H 1 7.787 0.020 . 1 . . . A 443 GLY H . 25314 1 59 . 1 1 11 11 GLY HA2 H 1 3.430 0.020 . 2 . . . A 443 GLY HA2 . 25314 1 60 . 1 1 11 11 GLY HA3 H 1 3.969 0.020 . 2 . . . A 443 GLY HA3 . 25314 1 61 . 1 1 12 12 LYS H H 1 7.825 0.020 . 1 . . . A 444 LYS H . 25314 1 62 . 1 1 12 12 LYS HA H 1 4.357 0.020 . 1 . . . A 444 LYS HA . 25314 1 63 . 1 1 12 12 LYS HB2 H 1 1.831 0.020 . 2 . . . A 444 LYS HB2 . 25314 1 64 . 1 1 12 12 LYS HB3 H 1 1.330 0.020 . 2 . . . A 444 LYS HB3 . 25314 1 65 . 1 1 12 12 LYS HG2 H 1 1.171 0.020 . 2 . . . A 444 LYS HG2 . 25314 1 66 . 1 1 12 12 LYS HG3 H 1 1.271 0.020 . 2 . . . A 444 LYS HG3 . 25314 1 67 . 1 1 12 12 LYS HD2 H 1 1.180 0.020 . 2 . . . A 444 LYS HD2 . 25314 1 68 . 1 1 12 12 LYS HE2 H 1 2.560 0.020 . 2 . . . A 444 LYS HE2 . 25314 1 69 . 1 1 13 13 THR H H 1 8.633 0.020 . 1 . . . A 445 THR H . 25314 1 70 . 1 1 13 13 THR HA H 1 4.692 0.020 . 1 . . . A 445 THR HA . 25314 1 71 . 1 1 13 13 THR HB H 1 3.765 0.020 . 1 . . . A 445 THR HB . 25314 1 72 . 1 1 13 13 THR HG21 H 1 0.726 0.020 . 1 . . . A 445 THR HG21 . 25314 1 73 . 1 1 13 13 THR HG22 H 1 0.726 0.020 . 1 . . . A 445 THR HG22 . 25314 1 74 . 1 1 13 13 THR HG23 H 1 0.726 0.020 . 1 . . . A 445 THR HG23 . 25314 1 75 . 1 1 14 14 TYR H H 1 8.522 0.020 . 1 . . . A 446 TYR H . 25314 1 76 . 1 1 14 14 TYR HA H 1 4.375 0.020 . 1 . . . A 446 TYR HA . 25314 1 77 . 1 1 14 14 TYR HB2 H 1 2.421 0.020 . 2 . . . A 446 TYR HB2 . 25314 1 78 . 1 1 14 14 TYR HB3 H 1 2.139 0.020 . 2 . . . A 446 TYR HB3 . 25314 1 79 . 1 1 14 14 TYR HD2 H 1 6.572 0.020 . 3 . . . A 446 TYR HD2 . 25314 1 80 . 1 1 14 14 TYR HE2 H 1 6.190 0.020 . 3 . . . A 446 TYR HE2 . 25314 1 81 . 1 1 15 15 TYR H H 1 8.708 0.020 . 1 . . . A 447 TYR H . 25314 1 82 . 1 1 15 15 TYR HA H 1 4.836 0.020 . 1 . . . A 447 TYR HA . 25314 1 83 . 1 1 15 15 TYR HB2 H 1 2.501 0.020 . 2 . . . A 447 TYR HB2 . 25314 1 84 . 1 1 15 15 TYR HB3 H 1 2.420 0.020 . 2 . . . A 447 TYR HB3 . 25314 1 85 . 1 1 15 15 TYR HD2 H 1 6.540 0.020 . 3 . . . A 447 TYR HD2 . 25314 1 86 . 1 1 15 15 TYR HE2 H 1 6.481 0.020 . 3 . . . A 447 TYR HE2 . 25314 1 87 . 1 1 16 16 TYR H H 1 9.124 0.020 . 1 . . . A 448 TYR H . 25314 1 88 . 1 1 16 16 TYR HA H 1 5.241 0.020 . 1 . . . A 448 TYR HA . 25314 1 89 . 1 1 16 16 TYR HB2 H 1 2.444 0.020 . 2 . . . A 448 TYR HB2 . 25314 1 90 . 1 1 16 16 TYR HB3 H 1 2.515 0.020 . 2 . . . A 448 TYR HB3 . 25314 1 91 . 1 1 16 16 TYR HD2 H 1 6.694 0.020 . 3 . . . A 448 TYR HD2 . 25314 1 92 . 1 1 16 16 TYR HE2 H 1 6.435 0.020 . 3 . . . A 448 TYR HE2 . 25314 1 93 . 1 1 17 17 ASN H H 1 8.082 0.020 . 1 . . . A 449 ASN H . 25314 1 94 . 1 1 17 17 ASN HA H 1 3.941 0.020 . 1 . . . A 449 ASN HA . 25314 1 95 . 1 1 17 17 ASN HB2 H 1 2.083 0.020 . 2 . . . A 449 ASN HB2 . 25314 1 96 . 1 1 17 17 ASN HB3 H 1 0.031 0.020 . 2 . . . A 449 ASN HB3 . 25314 1 97 . 1 1 17 17 ASN HD21 H 1 6.809 0.020 . 2 . . . A 449 ASN HD21 . 25314 1 98 . 1 1 17 17 ASN HD22 H 1 4.422 0.020 . 2 . . . A 449 ASN HD22 . 25314 1 99 . 1 1 18 18 ASN H H 1 8.371 0.020 . 1 . . . A 450 ASN H . 25314 1 100 . 1 1 18 18 ASN HA H 1 4.037 0.020 . 1 . . . A 450 ASN HA . 25314 1 101 . 1 1 18 18 ASN HB2 H 1 2.518 0.020 . 2 . . . A 450 ASN HB2 . 25314 1 102 . 1 1 18 18 ASN HB3 H 1 2.490 0.020 . 2 . . . A 450 ASN HB3 . 25314 1 103 . 1 1 18 18 ASN HD21 H 1 7.187 0.020 . 2 . . . A 450 ASN HD21 . 25314 1 104 . 1 1 18 18 ASN HD22 H 1 6.980 0.020 . 2 . . . A 450 ASN HD22 . 25314 1 105 . 1 1 19 19 ARG H H 1 8.225 0.020 . 1 . . . A 451 ARG H . 25314 1 106 . 1 1 19 19 ARG HA H 1 4.004 0.020 . 1 . . . A 451 ARG HA . 25314 1 107 . 1 1 19 19 ARG HB2 H 1 1.715 0.020 . 2 . . . A 451 ARG HB2 . 25314 1 108 . 1 1 19 19 ARG HB3 H 1 1.465 0.020 . 2 . . . A 451 ARG HB3 . 25314 1 109 . 1 1 19 19 ARG HG2 H 1 1.268 0.020 . 2 . . . A 451 ARG HG2 . 25314 1 110 . 1 1 19 19 ARG HG3 H 1 1.103 0.020 . 2 . . . A 451 ARG HG3 . 25314 1 111 . 1 1 19 19 ARG HD2 H 1 3.041 0.020 . 2 . . . A 451 ARG HD2 . 25314 1 112 . 1 1 19 19 ARG HD3 H 1 2.803 0.020 . 2 . . . A 451 ARG HD3 . 25314 1 113 . 1 1 19 19 ARG HE H 1 7.630 0.020 . 1 . . . A 451 ARG HE . 25314 1 114 . 1 1 20 20 THR H H 1 7.496 0.020 . 1 . . . A 452 THR H . 25314 1 115 . 1 1 20 20 THR HA H 1 3.899 0.020 . 1 . . . A 452 THR HA . 25314 1 116 . 1 1 20 20 THR HB H 1 3.987 0.020 . 1 . . . A 452 THR HB . 25314 1 117 . 1 1 20 20 THR HG21 H 1 0.689 0.020 . 1 . . . A 452 THR HG21 . 25314 1 118 . 1 1 20 20 THR HG22 H 1 0.689 0.020 . 1 . . . A 452 THR HG22 . 25314 1 119 . 1 1 20 20 THR HG23 H 1 0.689 0.020 . 1 . . . A 452 THR HG23 . 25314 1 120 . 1 1 21 21 ALA H H 1 7.992 0.020 . 1 . . . A 453 ALA H . 25314 1 121 . 1 1 21 21 ALA HA H 1 3.481 0.020 . 1 . . . A 453 ALA HA . 25314 1 122 . 1 1 21 21 ALA HB1 H 1 1.765 0.020 . 1 . . . A 453 ALA HB1 . 25314 1 123 . 1 1 21 21 ALA HB2 H 1 1.765 0.020 . 1 . . . A 453 ALA HB2 . 25314 1 124 . 1 1 21 21 ALA HB3 H 1 1.765 0.020 . 1 . . . A 453 ALA HB3 . 25314 1 125 . 1 1 22 22 GLU H H 1 6.987 0.020 . 1 . . . A 454 GLU H . 25314 1 126 . 1 1 22 22 GLU HA H 1 4.095 0.020 . 1 . . . A 454 GLU HA . 25314 1 127 . 1 1 22 22 GLU HB2 H 1 1.752 0.020 . 2 . . . A 454 GLU HB2 . 25314 1 128 . 1 1 22 22 GLU HB3 H 1 1.510 0.020 . 2 . . . A 454 GLU HB3 . 25314 1 129 . 1 1 22 22 GLU HG2 H 1 2.046 0.020 . 2 . . . A 454 GLU HG2 . 25314 1 130 . 1 1 22 22 GLU HG3 H 1 1.934 0.020 . 2 . . . A 454 GLU HG3 . 25314 1 131 . 1 1 23 23 SER H H 1 8.291 0.020 . 1 . . . A 455 SER H . 25314 1 132 . 1 1 23 23 SER HA H 1 5.803 0.020 . 1 . . . A 455 SER HA . 25314 1 133 . 1 1 23 23 SER HB2 H 1 3.473 0.020 . 2 . . . A 455 SER HB2 . 25314 1 134 . 1 1 24 24 THR H H 1 9.158 0.020 . 1 . . . A 456 THR H . 25314 1 135 . 1 1 24 24 THR HA H 1 4.529 0.020 . 1 . . . A 456 THR HA . 25314 1 136 . 1 1 24 24 THR HB H 1 3.978 0.020 . 1 . . . A 456 THR HB . 25314 1 137 . 1 1 24 24 THR HG21 H 1 0.782 0.020 . 1 . . . A 456 THR HG21 . 25314 1 138 . 1 1 24 24 THR HG22 H 1 0.782 0.020 . 1 . . . A 456 THR HG22 . 25314 1 139 . 1 1 24 24 THR HG23 H 1 0.782 0.020 . 1 . . . A 456 THR HG23 . 25314 1 140 . 1 1 25 25 TRP H H 1 8.316 0.020 . 1 . . . A 457 TRP H . 25314 1 141 . 1 1 25 25 TRP HA H 1 4.723 0.020 . 1 . . . A 457 TRP HA . 25314 1 142 . 1 1 25 25 TRP HB2 H 1 3.438 0.020 . 2 . . . A 457 TRP HB2 . 25314 1 143 . 1 1 25 25 TRP HB3 H 1 2.938 0.020 . 2 . . . A 457 TRP HB3 . 25314 1 144 . 1 1 25 25 TRP HD1 H 1 7.157 0.020 . 1 . . . A 457 TRP HD1 . 25314 1 145 . 1 1 25 25 TRP HE1 H 1 9.910 0.020 . 1 . . . A 457 TRP HE1 . 25314 1 146 . 1 1 25 25 TRP HE3 H 1 7.847 0.020 . 1 . . . A 457 TRP HE3 . 25314 1 147 . 1 1 25 25 TRP HZ2 H 1 7.094 0.020 . 1 . . . A 457 TRP HZ2 . 25314 1 148 . 1 1 25 25 TRP HZ3 H 1 6.670 0.020 . 1 . . . A 457 TRP HZ3 . 25314 1 149 . 1 1 25 25 TRP HH2 H 1 6.818 0.020 . 1 . . . A 457 TRP HH2 . 25314 1 150 . 1 1 26 26 GLU H H 1 7.795 0.020 . 1 . . . A 458 GLU H . 25314 1 151 . 1 1 26 26 GLU HA H 1 4.216 0.020 . 1 . . . A 458 GLU HA . 25314 1 152 . 1 1 26 26 GLU HB2 H 1 1.617 0.020 . 2 . . . A 458 GLU HB2 . 25314 1 153 . 1 1 26 26 GLU HB3 H 1 1.520 0.020 . 2 . . . A 458 GLU HB3 . 25314 1 154 . 1 1 26 26 GLU HG2 H 1 1.952 0.020 . 2 . . . A 458 GLU HG2 . 25314 1 155 . 1 1 27 27 LYS H H 1 8.012 0.020 . 1 . . . A 459 LYS H . 25314 1 156 . 1 1 27 27 LYS HA H 1 2.647 0.020 . 1 . . . A 459 LYS HA . 25314 1 157 . 1 1 27 27 LYS HB2 H 1 1.253 0.020 . 2 . . . A 459 LYS HB2 . 25314 1 158 . 1 1 27 27 LYS HB3 H 1 1.172 0.020 . 2 . . . A 459 LYS HB3 . 25314 1 159 . 1 1 27 27 LYS HG2 H 1 1.022 0.020 . 2 . . . A 459 LYS HG2 . 25314 1 160 . 1 1 27 27 LYS HD2 H 1 0.877 0.020 . 2 . . . A 459 LYS HD2 . 25314 1 161 . 1 1 27 27 LYS HD3 H 1 0.547 0.020 . 2 . . . A 459 LYS HD3 . 25314 1 162 . 1 1 28 28 PRO HA H 1 3.563 0.020 . 1 . . . A 460 PRO HA . 25314 1 163 . 1 1 28 28 PRO HB2 H 1 1.059 0.020 . 2 . . . A 460 PRO HB2 . 25314 1 164 . 1 1 28 28 PRO HB3 H 1 0.939 0.020 . 2 . . . A 460 PRO HB3 . 25314 1 165 . 1 1 28 28 PRO HG2 H 1 0.480 0.020 . 2 . . . A 460 PRO HG2 . 25314 1 166 . 1 1 28 28 PRO HG3 H 1 0.190 0.020 . 2 . . . A 460 PRO HG3 . 25314 1 167 . 1 1 28 28 PRO HD2 H 1 2.408 0.020 . 2 . . . A 460 PRO HD2 . 25314 1 168 . 1 1 28 28 PRO HD3 H 1 2.130 0.020 . 2 . . . A 460 PRO HD3 . 25314 1 stop_ save_