################################### # 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 30626 _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 DQF-COSY' . . . 30626 1 2 '2D 1H-1H TOCSY' . . . 30626 1 3 '2D 1H-15N HSQC' . . . 30626 1 4 '2D 1H-13C HSQC' . . . 30626 1 5 '2D 1H-1H NOESY' . . . 30626 1 6 '2D 1H-1H TOCSY' . . . 30626 1 7 '2D 1H-1H NOESY' . . . 30626 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 GLU HA H 1 3.892 0.000 . . . . . . A 1 GLU HA . 30626 1 2 . 1 1 1 1 GLU HB2 H 1 1.954 0.000 . . . . . . A 1 GLU HB2 . 30626 1 3 . 1 1 1 1 GLU HB3 H 1 1.954 0.000 . . . . . . A 1 GLU HB3 . 30626 1 4 . 1 1 1 1 GLU HG2 H 1 2.267 0.000 . . . . . . A 1 GLU HG2 . 30626 1 5 . 1 1 1 1 GLU HG3 H 1 2.267 0.000 . . . . . . A 1 GLU HG3 . 30626 1 6 . 1 1 2 2 ASP H H 1 8.798 0.001 . . . . . . A 2 ASP H . 30626 1 7 . 1 1 2 2 ASP HA H 1 4.666 0.000 . . . . . . A 2 ASP HA . 30626 1 8 . 1 1 2 2 ASP HB2 H 1 2.583 0.000 . . . . . . A 2 ASP HB2 . 30626 1 9 . 1 1 2 2 ASP HB3 H 1 2.729 0.000 . . . . . . A 2 ASP HB3 . 30626 1 10 . 1 1 3 3 CYS H H 1 8.682 0.001 . . . . . . A 3 CYS H . 30626 1 11 . 1 1 3 3 CYS HA H 1 4.662 0.000 . . . . . . A 3 CYS HA . 30626 1 12 . 1 1 3 3 CYS HB2 H 1 2.487 0.000 . . . . . . A 3 CYS HB2 . 30626 1 13 . 1 1 3 3 CYS HB3 H 1 2.735 0.000 . . . . . . A 3 CYS HB3 . 30626 1 14 . 1 1 4 4 GLY H H 1 8.416 0.006 . . . . . . A 4 GLY H . 30626 1 15 . 1 1 4 4 GLY HA2 H 1 3.816 0.000 . . . . . . A 4 GLY HA2 . 30626 1 16 . 1 1 4 4 GLY HA3 H 1 3.941 0.000 . . . . . . A 4 GLY HA3 . 30626 1 17 . 1 1 4 4 GLY N N 15 109.089 0.000 . . . . . . A 4 GLY N . 30626 1 18 . 1 1 5 5 SER H H 1 8.240 0.000 . . . . . . A 5 SER H . 30626 1 19 . 1 1 5 5 SER HA H 1 4.039 0.000 . . . . . . A 5 SER HA . 30626 1 20 . 1 1 5 5 SER HB2 H 1 3.706 0.000 . . . . . . A 5 SER HB2 . 30626 1 21 . 1 1 5 5 SER HB3 H 1 3.706 0.000 . . . . . . A 5 SER HB3 . 30626 1 22 . 1 1 6 6 ASP H H 1 8.782 0.000 . . . . . . A 6 ASP H . 30626 1 23 . 1 1 6 6 ASP HA H 1 4.502 0.000 . . . . . . A 6 ASP HA . 30626 1 24 . 1 1 6 6 ASP HB2 H 1 2.959 0.000 . . . . . . A 6 ASP HB2 . 30626 1 25 . 1 1 6 6 ASP HB3 H 1 2.959 0.000 . . . . . . A 6 ASP HB3 . 30626 1 26 . 1 1 7 7 CYS H H 1 7.605 0.016 . . . . . . A 7 CYS H . 30626 1 27 . 1 1 7 7 CYS HA H 1 5.221 0.020 . . . . . . A 7 CYS HA . 30626 1 28 . 1 1 7 7 CYS HB2 H 1 2.121 0.000 . . . . . . A 7 CYS HB2 . 30626 1 29 . 1 1 7 7 CYS HB3 H 1 3.346 0.000 . . . . . . A 7 CYS HB3 . 30626 1 30 . 1 1 7 7 CYS CA C 13 55.834 0.000 . . . . . . A 7 CYS CA . 30626 1 31 . 1 1 7 7 CYS N N 15 115.318 0.000 . . . . . . A 7 CYS N . 30626 1 32 . 1 1 8 8 MET H H 1 8.319 0.002 . . . . . . A 8 MET H . 30626 1 33 . 1 1 8 8 MET HA H 1 4.988 0.000 . . . . . . A 8 MET HA . 30626 1 34 . 1 1 8 8 MET HB2 H 1 1.956 0.000 . . . . . . A 8 MET HB2 . 30626 1 35 . 1 1 8 8 MET HB3 H 1 1.877 0.000 . . . . . . A 8 MET HB3 . 30626 1 36 . 1 1 8 8 MET HG2 H 1 2.470 0.000 . . . . . . A 8 MET HG2 . 30626 1 37 . 1 1 8 8 MET HG3 H 1 2.470 0.000 . . . . . . A 8 MET HG3 . 30626 1 38 . 1 1 8 8 MET N N 15 124.002 0.000 . . . . . . A 8 MET N . 30626 1 39 . 1 1 9 9 PRO HA H 1 4.425 0.002 . . . . . . A 9 PRO HA . 30626 1 40 . 1 1 9 9 PRO HB2 H 1 2.079 0.004 . . . . . . A 9 PRO HB2 . 30626 1 41 . 1 1 9 9 PRO HB3 H 1 2.079 0.004 . . . . . . A 9 PRO HB3 . 30626 1 42 . 1 1 9 9 PRO HG2 H 1 1.846 0.007 . . . . . . A 9 PRO HG2 . 30626 1 43 . 1 1 9 9 PRO HG3 H 1 1.846 0.007 . . . . . . A 9 PRO HG3 . 30626 1 44 . 1 1 9 9 PRO HD2 H 1 3.663 0.002 . . . . . . A 9 PRO HD2 . 30626 1 45 . 1 1 9 9 PRO HD3 H 1 3.663 0.002 . . . . . . A 9 PRO HD3 . 30626 1 46 . 1 1 10 10 CYS H H 1 8.670 0.001 . . . . . . A 10 CYS H . 30626 1 47 . 1 1 10 10 CYS HA H 1 4.636 0.000 . . . . . . A 10 CYS HA . 30626 1 48 . 1 1 10 10 CYS HB2 H 1 2.474 0.000 . . . . . . A 10 CYS HB2 . 30626 1 49 . 1 1 10 10 CYS HB3 H 1 2.909 0.000 . . . . . . A 10 CYS HB3 . 30626 1 50 . 1 1 11 11 GLY H H 1 9.191 0.005 . . . . . . A 11 GLY H . 30626 1 51 . 1 1 11 11 GLY HA2 H 1 3.744 0.000 . . . . . . A 11 GLY HA2 . 30626 1 52 . 1 1 11 11 GLY HA3 H 1 3.912 0.000 . . . . . . A 11 GLY HA3 . 30626 1 53 . 1 1 11 11 GLY N N 15 118.266 0.000 . . . . . . A 11 GLY N . 30626 1 54 . 1 1 12 12 GLY H H 1 8.555 0.011 . . . . . . A 12 GLY H . 30626 1 55 . 1 1 12 12 GLY HA2 H 1 4.016 0.000 . . . . . . A 12 GLY HA2 . 30626 1 56 . 1 1 12 12 GLY HA3 H 1 3.633 0.000 . . . . . . A 12 GLY HA3 . 30626 1 57 . 1 1 12 12 GLY N N 15 108.602 0.000 . . . . . . A 12 GLY N . 30626 1 58 . 1 1 13 13 GLU H H 1 7.356 0.015 . . . . . . A 13 GLU H . 30626 1 59 . 1 1 13 13 GLU HB2 H 1 2.065 0.000 . . . . . . A 13 GLU HB2 . 30626 1 60 . 1 1 13 13 GLU HB3 H 1 1.848 0.000 . . . . . . A 13 GLU HB3 . 30626 1 61 . 1 1 13 13 GLU HG2 H 1 2.272 0.000 . . . . . . A 13 GLU HG2 . 30626 1 62 . 1 1 13 13 GLU HG3 H 1 2.272 0.000 . . . . . . A 13 GLU HG3 . 30626 1 63 . 1 1 13 13 GLU N N 15 117.712 0.000 . . . . . . A 13 GLU N . 30626 1 64 . 1 1 14 14 CYS H H 1 8.712 0.002 . . . . . . A 14 CYS H . 30626 1 65 . 1 1 14 14 CYS HA H 1 4.653 0.000 . . . . . . A 14 CYS HA . 30626 1 66 . 1 1 14 14 CYS HB2 H 1 2.479 0.000 . . . . . . A 14 CYS HB2 . 30626 1 67 . 1 1 14 14 CYS HB3 H 1 2.778 0.000 . . . . . . A 14 CYS HB3 . 30626 1 68 . 1 1 15 15 CYS H H 1 9.117 0.011 . . . . . . A 15 CYS H . 30626 1 69 . 1 1 15 15 CYS HA H 1 4.968 0.000 . . . . . . A 15 CYS HA . 30626 1 70 . 1 1 15 15 CYS HB2 H 1 2.643 0.000 . . . . . . A 15 CYS HB2 . 30626 1 71 . 1 1 15 15 CYS HB3 H 1 2.864 0.000 . . . . . . A 15 CYS HB3 . 30626 1 72 . 1 1 15 15 CYS N N 15 125.473 0.000 . . . . . . A 15 CYS N . 30626 1 73 . 1 1 16 16 CYS H H 1 9.641 0.004 . . . . . . A 16 CYS H . 30626 1 74 . 1 1 16 16 CYS HA H 1 4.966 0.000 . . . . . . A 16 CYS HA . 30626 1 75 . 1 1 16 16 CYS HB2 H 1 2.769 0.000 . . . . . . A 16 CYS HB2 . 30626 1 76 . 1 1 16 16 CYS HB3 H 1 2.996 0.000 . . . . . . A 16 CYS HB3 . 30626 1 77 . 1 1 16 16 CYS N N 15 131.027 0.000 . . . . . . A 16 CYS N . 30626 1 78 . 1 1 17 17 GLU H H 1 8.441 0.002 . . . . . . A 17 GLU H . 30626 1 79 . 1 1 17 17 GLU HA H 1 4.358 0.000 . . . . . . A 17 GLU HA . 30626 1 80 . 1 1 17 17 GLU HB2 H 1 2.025 0.000 . . . . . . A 17 GLU HB2 . 30626 1 81 . 1 1 17 17 GLU HB3 H 1 1.879 0.000 . . . . . . A 17 GLU HB3 . 30626 1 82 . 1 1 17 17 GLU HG2 H 1 2.529 0.000 . . . . . . A 17 GLU HG2 . 30626 1 83 . 1 1 17 17 GLU HG3 H 1 2.529 0.000 . . . . . . A 17 GLU HG3 . 30626 1 84 . 1 1 18 18 PRO HA H 1 4.535 0.002 . . . . . . A 18 PRO HA . 30626 1 85 . 1 1 18 18 PRO HB2 H 1 2.054 0.000 . . . . . . A 18 PRO HB2 . 30626 1 86 . 1 1 18 18 PRO HB3 H 1 2.163 0.000 . . . . . . A 18 PRO HB3 . 30626 1 87 . 1 1 18 18 PRO HG2 H 1 1.807 0.002 . . . . . . A 18 PRO HG2 . 30626 1 88 . 1 1 18 18 PRO HG3 H 1 1.462 0.003 . . . . . . A 18 PRO HG3 . 30626 1 89 . 1 1 18 18 PRO HD2 H 1 3.341 0.001 . . . . . . A 18 PRO HD2 . 30626 1 90 . 1 1 18 18 PRO HD3 H 1 3.341 0.001 . . . . . . A 18 PRO HD3 . 30626 1 91 . 1 1 19 19 ASN H H 1 8.656 0.001 . . . . . . A 19 ASN H . 30626 1 92 . 1 1 19 19 ASN HA H 1 4.562 0.000 . . . . . . A 19 ASN HA . 30626 1 93 . 1 1 19 19 ASN HB2 H 1 2.559 0.000 . . . . . . A 19 ASN HB2 . 30626 1 94 . 1 1 19 19 ASN HB3 H 1 2.559 0.000 . . . . . . A 19 ASN HB3 . 30626 1 95 . 1 1 19 19 ASN HD21 H 1 6.917 0.000 . . . . . . A 19 ASN HD21 . 30626 1 96 . 1 1 19 19 ASN HD22 H 1 7.117 0.000 . . . . . . A 19 ASN HD22 . 30626 1 97 . 1 1 20 20 SER H H 1 8.211 0.001 . . . . . . A 20 SER H . 30626 1 98 . 1 1 20 20 SER HA H 1 4.559 0.000 . . . . . . A 20 SER HA . 30626 1 99 . 1 1 20 20 SER HB2 H 1 3.503 0.000 . . . . . . A 20 SER HB2 . 30626 1 100 . 1 1 20 20 SER HB3 H 1 3.576 0.000 . . . . . . A 20 SER HB3 . 30626 1 101 . 1 1 21 21 CYS H H 1 9.057 0.006 . . . . . . A 21 CYS H . 30626 1 102 . 1 1 21 21 CYS HA H 1 4.991 0.000 . . . . . . A 21 CYS HA . 30626 1 103 . 1 1 21 21 CYS HB2 H 1 2.364 0.000 . . . . . . A 21 CYS HB2 . 30626 1 104 . 1 1 21 21 CYS HB3 H 1 3.157 0.000 . . . . . . A 21 CYS HB3 . 30626 1 105 . 1 1 21 21 CYS N N 15 126.326 0.000 . . . . . . A 21 CYS N . 30626 1 106 . 1 1 22 22 ILE H H 1 8.853 0.003 . . . . . . A 22 ILE H . 30626 1 107 . 1 1 22 22 ILE HA H 1 4.156 0.000 . . . . . . A 22 ILE HA . 30626 1 108 . 1 1 22 22 ILE HB H 1 1.170 0.000 . . . . . . A 22 ILE HB . 30626 1 109 . 1 1 22 22 ILE HG12 H 1 0.445 0.000 . . . . . . A 22 ILE HG12 . 30626 1 110 . 1 1 22 22 ILE HG13 H 1 0.812 0.000 . . . . . . A 22 ILE HG13 . 30626 1 111 . 1 1 22 22 ILE HG21 H 1 0.608 0.000 . . . . . . A 22 ILE HG21 . 30626 1 112 . 1 1 22 22 ILE HG22 H 1 0.608 0.000 . . . . . . A 22 ILE HG22 . 30626 1 113 . 1 1 22 22 ILE HG23 H 1 0.608 0.000 . . . . . . A 22 ILE HG23 . 30626 1 114 . 1 1 23 23 ASP H H 1 9.473 0.005 . . . . . . A 23 ASP H . 30626 1 115 . 1 1 23 23 ASP HA H 1 4.243 0.000 . . . . . . A 23 ASP HA . 30626 1 116 . 1 1 23 23 ASP HB2 H 1 2.674 0.000 . . . . . . A 23 ASP HB2 . 30626 1 117 . 1 1 23 23 ASP HB3 H 1 3.038 0.000 . . . . . . A 23 ASP HB3 . 30626 1 118 . 1 1 23 23 ASP N N 15 126.911 0.000 . . . . . . A 23 ASP N . 30626 1 119 . 1 1 24 24 GLY H H 1 8.265 0.003 . . . . . . A 24 GLY H . 30626 1 120 . 1 1 24 24 GLY HA2 H 1 3.332 0.000 . . . . . . A 24 GLY HA2 . 30626 1 121 . 1 1 24 24 GLY HA3 H 1 3.946 0.000 . . . . . . A 24 GLY HA3 . 30626 1 122 . 1 1 25 25 THR H H 1 7.553 0.014 . . . . . . A 25 THR H . 30626 1 123 . 1 1 25 25 THR HA H 1 4.378 0.001 . . . . . . A 25 THR HA . 30626 1 124 . 1 1 25 25 THR HB H 1 3.894 0.000 . . . . . . A 25 THR HB . 30626 1 125 . 1 1 25 25 THR HG21 H 1 0.948 0.000 . . . . . . A 25 THR HG21 . 30626 1 126 . 1 1 25 25 THR HG22 H 1 0.948 0.000 . . . . . . A 25 THR HG22 . 30626 1 127 . 1 1 25 25 THR HG23 H 1 0.948 0.000 . . . . . . A 25 THR HG23 . 30626 1 128 . 1 1 25 25 THR CA C 13 63.587 0.000 . . . . . . A 25 THR CA . 30626 1 129 . 1 1 25 25 THR N N 15 113.377 0.000 . . . . . . A 25 THR N . 30626 1 130 . 1 1 26 26 CYS H H 1 8.972 0.007 . . . . . . A 26 CYS H . 30626 1 131 . 1 1 26 26 CYS HA H 1 4.864 0.000 . . . . . . A 26 CYS HA . 30626 1 132 . 1 1 26 26 CYS HB2 H 1 2.753 0.000 . . . . . . A 26 CYS HB2 . 30626 1 133 . 1 1 26 26 CYS HB3 H 1 2.892 0.000 . . . . . . A 26 CYS HB3 . 30626 1 134 . 1 1 26 26 CYS N N 15 125.794 0.000 . . . . . . A 26 CYS N . 30626 1 135 . 1 1 27 27 HIS H H 1 9.579 0.011 . . . . . . A 27 HIS H . 30626 1 136 . 1 1 27 27 HIS HA H 1 4.535 0.000 . . . . . . A 27 HIS HA . 30626 1 137 . 1 1 27 27 HIS HB2 H 1 3.173 0.000 . . . . . . A 27 HIS HB2 . 30626 1 138 . 1 1 27 27 HIS HB3 H 1 3.080 0.000 . . . . . . A 27 HIS HB3 . 30626 1 139 . 1 1 27 27 HIS HD2 H 1 7.223 0.000 . . . . . . A 27 HIS HD2 . 30626 1 140 . 1 1 27 27 HIS HE1 H 1 8.533 0.000 . . . . . . A 27 HIS HE1 . 30626 1 141 . 1 1 27 27 HIS N N 15 129.982 0.000 . . . . . . A 27 HIS N . 30626 1 142 . 1 1 28 28 HIS H H 1 8.853 0.007 . . . . . . A 28 HIS H . 30626 1 143 . 1 1 28 28 HIS HA H 1 4.720 0.000 . . . . . . A 28 HIS HA . 30626 1 144 . 1 1 28 28 HIS HB2 H 1 3.011 0.000 . . . . . . A 28 HIS HB2 . 30626 1 145 . 1 1 28 28 HIS HB3 H 1 3.011 0.000 . . . . . . A 28 HIS HB3 . 30626 1 146 . 1 1 28 28 HIS HD2 H 1 7.100 0.000 . . . . . . A 28 HIS HD2 . 30626 1 147 . 1 1 28 28 HIS HE1 H 1 8.476 0.000 . . . . . . A 28 HIS HE1 . 30626 1 148 . 1 1 28 28 HIS N N 15 123.693 0.000 . . . . . . A 28 HIS N . 30626 1 149 . 1 1 29 29 GLU H H 1 8.287 0.001 . . . . . . A 29 GLU H . 30626 1 150 . 1 1 29 29 GLU HA H 1 4.315 0.000 . . . . . . A 29 GLU HA . 30626 1 151 . 1 1 29 29 GLU HB2 H 1 1.952 0.000 . . . . . . A 29 GLU HB2 . 30626 1 152 . 1 1 29 29 GLU HB3 H 1 1.764 0.000 . . . . . . A 29 GLU HB3 . 30626 1 153 . 1 1 29 29 GLU HG2 H 1 2.342 0.000 . . . . . . A 29 GLU HG2 . 30626 1 154 . 1 1 29 29 GLU HG3 H 1 2.342 0.000 . . . . . . A 29 GLU HG3 . 30626 1 155 . 1 1 30 30 SER H H 1 8.393 0.001 . . . . . . A 30 SER H . 30626 1 156 . 1 1 30 30 SER HA H 1 4.319 0.000 . . . . . . A 30 SER HA . 30626 1 157 . 1 1 30 30 SER HB2 H 1 3.709 0.000 . . . . . . A 30 SER HB2 . 30626 1 158 . 1 1 30 30 SER HB3 H 1 3.709 0.000 . . . . . . A 30 SER HB3 . 30626 1 159 . 1 1 31 31 SER H H 1 8.064 0.001 . . . . . . A 31 SER H . 30626 1 160 . 1 1 31 31 SER HA H 1 4.425 0.000 . . . . . . A 31 SER HA . 30626 1 161 . 1 1 31 31 SER HB2 H 1 3.609 0.000 . . . . . . A 31 SER HB2 . 30626 1 162 . 1 1 31 31 SER HB3 H 1 3.609 0.000 . . . . . . A 31 SER HB3 . 30626 1 163 . 1 1 32 32 PRO HA H 1 4.320 0.001 . . . . . . A 32 PRO HA . 30626 1 164 . 1 1 32 32 PRO HB2 H 1 2.135 0.001 . . . . . . A 32 PRO HB2 . 30626 1 165 . 1 1 32 32 PRO HB3 H 1 2.135 0.001 . . . . . . A 32 PRO HB3 . 30626 1 166 . 1 1 32 32 PRO HG2 H 1 1.889 0.002 . . . . . . A 32 PRO HG2 . 30626 1 167 . 1 1 32 32 PRO HG3 H 1 1.889 0.002 . . . . . . A 32 PRO HG3 . 30626 1 168 . 1 1 32 32 PRO HD2 H 1 3.637 0.001 . . . . . . A 32 PRO HD2 . 30626 1 169 . 1 1 32 32 PRO HD3 H 1 3.637 0.001 . . . . . . A 32 PRO HD3 . 30626 1 170 . 1 1 33 33 ASN H H 1 8.077 0.001 . . . . . . A 33 ASN H . 30626 1 171 . 1 1 33 33 ASN HA H 1 4.451 0.000 . . . . . . A 33 ASN HA . 30626 1 172 . 1 1 33 33 ASN HB2 H 1 2.617 0.000 . . . . . . A 33 ASN HB2 . 30626 1 173 . 1 1 33 33 ASN HB3 H 1 2.674 0.000 . . . . . . A 33 ASN HB3 . 30626 1 174 . 1 1 33 33 ASN HD21 H 1 6.755 0.000 . . . . . . A 33 ASN HD21 . 30626 1 175 . 1 1 33 33 ASN HD22 H 1 7.452 0.013 . . . . . . A 33 ASN HD22 . 30626 1 176 . 1 1 33 33 ASN ND2 N 15 112.647 0.000 . . . . . . A 33 ASN ND2 . 30626 1 stop_ save_