################################### # 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 36439 _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' 1 $sample_1 isotropic 36439 1 2 '2D 1H-1H NOESY' 1 $sample_1 isotropic 36439 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 ALA HA H 1 4.223 0.00 . 1 . . . . A 1 ALA HA . 36439 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.441 0.00 . 1 . . . . A 1 ALA HB1 . 36439 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.441 0.00 . 1 . . . . A 1 ALA HB2 . 36439 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.441 0.00 . 1 . . . . A 1 ALA HB3 . 36439 1 5 . 1 . 1 2 2 ASP H H 1 10.404 0.00 . 1 . . . . A 2 ASP H . 36439 1 6 . 1 . 1 2 2 ASP HA H 1 4.020 0.00 . 1 . . . . A 2 ASP HA . 36439 1 7 . 1 . 1 2 2 ASP HB2 H 1 3.214 0.00 . . . . . . A 2 ASP HB2 . 36439 1 8 . 1 . 1 3 3 CYS H H 1 9.443 0.00 . 1 . . . . A 3 CYS H . 36439 1 9 . 1 . 1 3 3 CYS HA H 1 4.361 0.00 . 1 . . . . A 3 CYS HA . 36439 1 10 . 1 . 1 3 3 CYS HB2 H 1 3.218 0.01 . . . . . . A 3 CYS HB2 . 36439 1 11 . 1 . 1 3 3 CYS HB3 H 1 3.809 0.00 . . . . . . A 3 CYS HB3 . 36439 1 12 . 1 . 1 4 4 THR H H 1 8.358 0.00 . 1 . . . . A 4 THR H . 36439 1 13 . 1 . 1 4 4 THR HA H 1 4.331 0.01 . 1 . . . . A 4 THR HA . 36439 1 14 . 1 . 1 4 4 THR HB H 1 4.398 0.00 . 1 . . . . A 4 THR HB . 36439 1 15 . 1 . 1 4 4 THR HG21 H 1 1.319 0.00 . 1 . . . . A 4 THR HG21 . 36439 1 16 . 1 . 1 4 4 THR HG22 H 1 1.319 0.00 . 1 . . . . A 4 THR HG22 . 36439 1 17 . 1 . 1 4 4 THR HG23 H 1 1.319 0.00 . 1 . . . . A 4 THR HG23 . 36439 1 18 . 1 . 1 5 5 GLU H H 1 9.579 0.00 . 1 . . . . A 5 GLU H . 36439 1 19 . 1 . 1 5 5 GLU HA H 1 3.833 0.00 . 1 . . . . A 5 GLU HA . 36439 1 20 . 1 . 1 5 5 GLU HB2 H 1 1.099 0.00 . . . . . . A 5 GLU HB2 . 36439 1 21 . 1 . 1 5 5 GLU HB3 H 1 1.353 0.00 . . . . . . A 5 GLU HB3 . 36439 1 22 . 1 . 1 5 5 GLU HG2 H 1 2.088 0.00 . . . . . . A 5 GLU HG2 . 36439 1 23 . 1 . 1 5 5 GLU HG3 H 1 2.320 0.00 . . . . . . A 5 GLU HG3 . 36439 1 24 . 1 . 1 6 6 TYR H H 1 7.288 0.00 . 1 . . . . A 6 TYR H . 36439 1 25 . 1 . 1 6 6 TYR HA H 1 4.690 0.00 . 1 . . . . A 6 TYR HA . 36439 1 26 . 1 . 1 6 6 TYR HB2 H 1 2.409 0.00 . . . . . . A 6 TYR HB2 . 36439 1 27 . 1 . 1 6 6 TYR HB3 H 1 3.242 0.01 . . . . . . A 6 TYR HB3 . 36439 1 28 . 1 . 1 6 6 TYR HD1 H 1 6.988 0.00 . . . . . . A 6 TYR HD1 . 36439 1 29 . 1 . 1 6 6 TYR HE1 H 1 6.785 0.00 . . . . . . A 6 TYR HE1 . 36439 1 30 . 1 . 1 7 7 CYS H H 1 8.358 0.00 . 1 . . . . A 7 CYS H . 36439 1 31 . 1 . 1 7 7 CYS HA H 1 5.244 0.00 . 1 . . . . A 7 CYS HA . 36439 1 32 . 1 . 1 7 7 CYS HB2 H 1 2.825 0.00 . . . . . . A 7 CYS HB2 . 36439 1 33 . 1 . 1 7 7 CYS HB3 H 1 3.510 0.00 . . . . . . A 7 CYS HB3 . 36439 1 34 . 1 . 1 8 8 SER H H 1 8.958 0.00 . 1 . . . . A 8 SER H . 36439 1 35 . 1 . 1 8 8 SER HA H 1 4.389 0.00 . 1 . . . . A 8 SER HA . 36439 1 36 . 1 . 1 8 8 SER HB2 H 1 3.914 0.00 . . . . . . A 8 SER HB2 . 36439 1 37 . 1 . 1 9 9 ASN H H 1 8.281 0.00 . 1 . . . . A 9 ASN H . 36439 1 38 . 1 . 1 9 9 ASN HA H 1 4.700 0.00 . 1 . . . . A 9 ASN HA . 36439 1 39 . 1 . 1 9 9 ASN HB2 H 1 2.605 0.00 . . . . . . A 9 ASN HB2 . 36439 1 40 . 1 . 1 9 9 ASN HB3 H 1 2.682 0.00 . . . . . . A 9 ASN HB3 . 36439 1 41 . 1 . 1 9 9 ASN HD21 H 1 7.591 0.00 . . . . . . A 9 ASN HD21 . 36439 1 42 . 1 . 1 9 9 ASN HD22 H 1 6.626 0.00 . . . . . . A 9 ASN HD22 . 36439 1 43 . 1 . 1 10 10 SER H H 1 8.040 0.00 . 1 . . . . A 10 SER H . 36439 1 44 . 1 . 1 10 10 SER HA H 1 4.709 0.01 . 1 . . . . A 10 SER HA . 36439 1 45 . 1 . 1 10 10 SER HB3 H 1 3.736 0.00 . . . . . . A 10 SER HB3 . 36439 1 46 . 1 . 1 11 11 CYS H H 1 8.319 0.00 . 1 . . . . A 11 CYS H . 36439 1 47 . 1 . 1 11 11 CYS HA H 1 4.612 0.00 . 1 . . . . A 11 CYS HA . 36439 1 48 . 1 . 1 11 11 CYS HB2 H 1 2.130 0.00 . . . . . . A 11 CYS HB2 . 36439 1 49 . 1 . 1 11 11 CYS HB3 H 1 2.416 0.00 . . . . . . A 11 CYS HB3 . 36439 1 50 . 1 . 1 12 12 PRO HA H 1 4.467 0.00 . 1 . . . . A 12 PRO HA . 36439 1 51 . 1 . 1 12 12 PRO HB2 H 1 1.994 0.00 . . . . . . A 12 PRO HB2 . 36439 1 52 . 1 . 1 12 12 PRO HB3 H 1 2.368 0.00 . . . . . . A 12 PRO HB3 . 36439 1 53 . 1 . 1 12 12 PRO HD2 H 1 3.528 0.00 . . . . . . A 12 PRO HD2 . 36439 1 54 . 1 . 1 12 12 PRO HD3 H 1 3.708 0.00 . . . . . . A 12 PRO HD3 . 36439 1 55 . 1 . 1 12 12 PRO HG2 H 1 1.841 0.00 . . . . . . A 12 PRO HG2 . 36439 1 56 . 1 . 1 12 12 PRO HG3 H 1 2.081 0.00 . . . . . . A 12 PRO HG3 . 36439 1 57 . 1 . 1 13 13 PHE H H 1 6.894 0.00 . 1 . . . . A 13 PHE H . 36439 1 58 . 1 . 1 13 13 PHE HA H 1 4.544 0.00 . 1 . . . . A 13 PHE HA . 36439 1 59 . 1 . 1 13 13 PHE HB2 H 1 3.010 0.00 . . . . . . A 13 PHE HB2 . 36439 1 60 . 1 . 1 13 13 PHE HB3 H 1 3.358 0.00 . . . . . . A 13 PHE HB3 . 36439 1 61 . 1 . 1 13 13 PHE HD1 H 1 7.110 0.00 . . . . . . A 13 PHE HD1 . 36439 1 62 . 1 . 1 13 13 PHE HE1 H 1 7.263 0.00 . . . . . . A 13 PHE HE1 . 36439 1 63 . 1 . 1 13 13 PHE HZ H 1 7.344 0.00 . 1 . . . . A 13 PHE HZ . 36439 1 64 . 1 . 1 14 14 CYS H H 1 6.993 0.00 . 1 . . . . A 14 CYS H . 36439 1 65 . 1 . 1 14 14 CYS HA H 1 4.917 0.00 . 1 . . . . A 14 CYS HA . 36439 1 66 . 1 . 1 14 14 CYS HB2 H 1 2.619 0.00 . . . . . . A 14 CYS HB2 . 36439 1 67 . 1 . 1 14 14 CYS HB3 H 1 3.108 0.00 . . . . . . A 14 CYS HB3 . 36439 1 68 . 1 . 1 15 15 ASN H H 1 7.877 0.00 . 1 . . . . A 15 ASN H . 36439 1 69 . 1 . 1 15 15 ASN HA H 1 4.592 0.00 . 1 . . . . A 15 ASN HA . 36439 1 70 . 1 . 1 15 15 ASN HB2 H 1 2.933 0.00 . . . . . . A 15 ASN HB2 . 36439 1 71 . 1 . 1 15 15 ASN HB3 H 1 3.021 0.00 . . . . . . A 15 ASN HB3 . 36439 1 72 . 1 . 1 15 15 ASN HD21 H 1 7.306 0.00 . . . . . . A 15 ASN HD21 . 36439 1 73 . 1 . 1 15 15 ASN HD22 H 1 7.859 0.00 . . . . . . A 15 ASN HD22 . 36439 1 74 . 1 . 1 16 16 GLY H H 1 8.716 0.00 . 1 . . . . A 16 GLY H . 36439 1 75 . 1 . 1 16 16 GLY HA2 H 1 3.892 0.00 . . . . . . A 16 GLY HA2 . 36439 1 76 . 1 . 1 16 16 GLY HA3 H 1 4.034 0.00 . . . . . . A 16 GLY HA3 . 36439 1 77 . 1 . 1 17 17 GLN H H 1 7.609 0.00 . 1 . . . . A 17 GLN H . 36439 1 78 . 1 . 1 17 17 GLN HA H 1 4.538 0.00 . 1 . . . . A 17 GLN HA . 36439 1 79 . 1 . 1 17 17 GLN HB2 H 1 1.978 0.00 . . . . . . A 17 GLN HB2 . 36439 1 80 . 1 . 1 17 17 GLN HB3 H 1 2.214 0.00 . . . . . . A 17 GLN HB3 . 36439 1 81 . 1 . 1 17 17 GLN HE21 H 1 7.506 0.00 . . . . . . A 17 GLN HE21 . 36439 1 82 . 1 . 1 17 17 GLN HE22 H 1 6.923 0.00 . . . . . . A 17 GLN HE22 . 36439 1 83 . 1 . 1 17 17 GLN HG2 H 1 2.441 0.00 . . . . . . A 17 GLN HG2 . 36439 1 84 . 1 . 1 17 17 GLN HG3 H 1 2.655 0.00 . . . . . . A 17 GLN HG3 . 36439 1 85 . 1 . 1 18 18 PRO HA H 1 4.329 0.00 . 1 . . . . A 18 PRO HA . 36439 1 86 . 1 . 1 18 18 PRO HB2 H 1 2.124 0.00 . . . . . . A 18 PRO HB2 . 36439 1 87 . 1 . 1 18 18 PRO HB3 H 1 1.926 0.00 . . . . . . A 18 PRO HB3 . 36439 1 88 . 1 . 1 18 18 PRO HD2 H 1 3.852 0.00 . . . . . . A 18 PRO HD2 . 36439 1 89 . 1 . 1 18 18 PRO HD3 H 1 3.886 0.00 . . . . . . A 18 PRO HD3 . 36439 1 90 . 1 . 1 18 18 PRO HG2 H 1 2.392 0.00 . . . . . . A 18 PRO HG2 . 36439 1 91 . 1 . 1 18 18 PRO HG3 H 1 2.441 0.00 . . . . . . A 18 PRO HG3 . 36439 1 92 . 1 . 1 19 19 LEU H H 1 7.965 0.00 . 1 . . . . A 19 LEU H . 36439 1 93 . 1 . 1 19 19 LEU HA H 1 4.779 0.00 . 1 . . . . A 19 LEU HA . 36439 1 94 . 1 . 1 19 19 LEU HB2 H 1 1.549 0.00 . . . . . . A 19 LEU HB2 . 36439 1 95 . 1 . 1 19 19 LEU HB3 H 1 1.856 0.00 . . . . . . A 19 LEU HB3 . 36439 1 96 . 1 . 1 19 19 LEU HD11 H 1 0.884 0.00 . . . . . . A 19 LEU HD11 . 36439 1 97 . 1 . 1 19 19 LEU HD12 H 1 0.884 0.00 . . . . . . A 19 LEU HD12 . 36439 1 98 . 1 . 1 19 19 LEU HD13 H 1 0.884 0.00 . . . . . . A 19 LEU HD13 . 36439 1 99 . 1 . 1 19 19 LEU HD21 H 1 0.921 0.00 . . . . . . A 19 LEU HD21 . 36439 1 100 . 1 . 1 19 19 LEU HD22 H 1 0.921 0.00 . . . . . . A 19 LEU HD22 . 36439 1 101 . 1 . 1 19 19 LEU HD23 H 1 0.921 0.00 . . . . . . A 19 LEU HD23 . 36439 1 102 . 1 . 1 20 20 TYR H H 1 7.461 0.00 . 1 . . . . A 20 TYR H . 36439 1 103 . 1 . 1 20 20 TYR HA H 1 3.940 0.00 . 1 . . . . A 20 TYR HA . 36439 1 104 . 1 . 1 20 20 TYR HB2 H 1 2.873 0.00 . . . . . . A 20 TYR HB2 . 36439 1 105 . 1 . 1 20 20 TYR HB3 H 1 3.445 0.00 . . . . . . A 20 TYR HB3 . 36439 1 106 . 1 . 1 20 20 TYR HD1 H 1 7.315 0.00 . . . . . . A 20 TYR HD1 . 36439 1 107 . 1 . 1 20 20 TYR HE1 H 1 6.809 0.00 . . . . . . A 20 TYR HE1 . 36439 1 108 . 1 . 1 21 21 GLN H H 1 8.692 0.00 . 1 . . . . A 21 GLN H . 36439 1 109 . 1 . 1 21 21 GLN HA H 1 3.053 0.00 . 1 . . . . A 21 GLN HA . 36439 1 110 . 1 . 1 21 21 GLN HB3 H 1 1.936 0.00 . . . . . . A 21 GLN HB3 . 36439 1 111 . 1 . 1 21 21 GLN HE21 H 1 6.782 0.00 . . . . . . A 21 GLN HE21 . 36439 1 112 . 1 . 1 21 21 GLN HE22 H 1 6.733 0.00 . . . . . . A 21 GLN HE22 . 36439 1 113 . 1 . 1 21 21 GLN HG2 H 1 1.423 0.00 . . . . . . A 21 GLN HG2 . 36439 1 114 . 1 . 1 21 21 GLN HG3 H 1 1.685 0.00 . . . . . . A 21 GLN HG3 . 36439 1 115 . 1 . 1 22 22 LEU H H 1 7.611 0.00 . 1 . . . . A 22 LEU H . 36439 1 116 . 1 . 1 22 22 LEU HA H 1 3.833 0.00 . 1 . . . . A 22 LEU HA . 36439 1 117 . 1 . 1 22 22 LEU HB2 H 1 1.526 0.01 . . . . . . A 22 LEU HB2 . 36439 1 118 . 1 . 1 22 22 LEU HB3 H 1 1.563 0.00 . . . . . . A 22 LEU HB3 . 36439 1 119 . 1 . 1 22 22 LEU HD11 H 1 0.792 0.00 . . . . . . A 22 LEU HD11 . 36439 1 120 . 1 . 1 22 22 LEU HD12 H 1 0.792 0.00 . . . . . . A 22 LEU HD12 . 36439 1 121 . 1 . 1 22 22 LEU HD13 H 1 0.792 0.00 . . . . . . A 22 LEU HD13 . 36439 1 122 . 1 . 1 22 22 LEU HD21 H 1 0.864 0.00 . . . . . . A 22 LEU HD21 . 36439 1 123 . 1 . 1 22 22 LEU HD22 H 1 0.864 0.00 . . . . . . A 22 LEU HD22 . 36439 1 124 . 1 . 1 22 22 LEU HD23 H 1 0.864 0.00 . . . . . . A 22 LEU HD23 . 36439 1 125 . 1 . 1 23 23 CYS H H 1 7.997 0.00 . 1 . . . . A 23 CYS H . 36439 1 126 . 1 . 1 23 23 CYS HA H 1 4.222 0.00 . 1 . . . . A 23 CYS HA . 36439 1 127 . 1 . 1 23 23 CYS HB2 H 1 3.045 0.00 . . . . . . A 23 CYS HB2 . 36439 1 128 . 1 . 1 23 23 CYS HB3 H 1 3.409 0.00 . . . . . . A 23 CYS HB3 . 36439 1 129 . 1 . 1 24 24 CYS H H 1 8.414 0.00 . 1 . . . . A 24 CYS H . 36439 1 130 . 1 . 1 24 24 CYS HA H 1 4.489 0.00 . 1 . . . . A 24 CYS HA . 36439 1 131 . 1 . 1 24 24 CYS HB2 H 1 2.504 0.00 . . . . . . A 24 CYS HB2 . 36439 1 132 . 1 . 1 24 24 CYS HB3 H 1 2.721 0.00 . . . . . . A 24 CYS HB3 . 36439 1 133 . 1 . 1 25 25 ILE H H 1 8.368 0.00 . 1 . . . . A 25 ILE H . 36439 1 134 . 1 . 1 25 25 ILE HA H 1 3.948 0.00 . 1 . . . . A 25 ILE HA . 36439 1 135 . 1 . 1 25 25 ILE HB H 1 1.784 0.00 . 1 . . . . A 25 ILE HB . 36439 1 136 . 1 . 1 25 25 ILE HD11 H 1 0.654 0.00 . 1 . . . . A 25 ILE HD11 . 36439 1 137 . 1 . 1 25 25 ILE HD12 H 1 0.654 0.00 . 1 . . . . A 25 ILE HD12 . 36439 1 138 . 1 . 1 25 25 ILE HD13 H 1 0.654 0.00 . 1 . . . . A 25 ILE HD13 . 36439 1 139 . 1 . 1 25 25 ILE HG12 H 1 1.189 0.01 . . . . . . A 25 ILE HG12 . 36439 1 140 . 1 . 1 25 25 ILE HG13 H 1 1.233 0.01 . . . . . . A 25 ILE HG13 . 36439 1 141 . 1 . 1 25 25 ILE HG21 H 1 0.759 0.00 . 1 . . . . A 25 ILE HG21 . 36439 1 142 . 1 . 1 25 25 ILE HG22 H 1 0.759 0.00 . 1 . . . . A 25 ILE HG22 . 36439 1 143 . 1 . 1 25 25 ILE HG23 H 1 0.759 0.00 . 1 . . . . A 25 ILE HG23 . 36439 1 144 . 1 . 1 26 26 ASN H H 1 8.181 0.00 . 1 . . . . A 26 ASN H . 36439 1 145 . 1 . 1 26 26 ASN HA H 1 4.841 0.00 . 1 . . . . A 26 ASN HA . 36439 1 146 . 1 . 1 26 26 ASN HB2 H 1 2.575 0.00 . . . . . . A 26 ASN HB2 . 36439 1 147 . 1 . 1 26 26 ASN HB3 H 1 2.838 0.00 . . . . . . A 26 ASN HB3 . 36439 1 148 . 1 . 1 26 26 ASN HD21 H 1 7.296 0.00 . . . . . . A 26 ASN HD21 . 36439 1 149 . 1 . 1 26 26 ASN HD22 H 1 6.819 0.00 . . . . . . A 26 ASN HD22 . 36439 1 150 . 1 . 1 27 27 ASN H H 1 8.298 0.00 . 1 . . . . A 27 ASN H . 36439 1 151 . 1 . 1 27 27 ASN HA H 1 5.088 0.00 . 1 . . . . A 27 ASN HA . 36439 1 152 . 1 . 1 27 27 ASN HB2 H 1 3.004 0.00 . . . . . . A 27 ASN HB2 . 36439 1 153 . 1 . 1 27 27 ASN HB3 H 1 3.272 0.00 . . . . . . A 27 ASN HB3 . 36439 1 154 . 1 . 1 27 27 ASN HD22 H 1 7.260 0.00 . . . . . . A 27 ASN HD22 . 36439 1 155 . 1 . 1 28 28 CYS H H 1 8.044 0.00 . 1 . . . . A 28 CYS H . 36439 1 156 . 1 . 1 28 28 CYS HA H 1 5.143 0.00 . 1 . . . . A 28 CYS HA . 36439 1 157 . 1 . 1 28 28 CYS HB2 H 1 2.814 0.00 . . . . . . A 28 CYS HB2 . 36439 1 158 . 1 . 1 28 28 CYS HB3 H 1 4.344 0.00 . . . . . . A 28 CYS HB3 . 36439 1 159 . 1 . 1 29 29 CYS H H 1 8.594 0.00 . 1 . . . . A 29 CYS H . 36439 1 160 . 1 . 1 29 29 CYS HA H 1 5.389 0.00 . 1 . . . . A 29 CYS HA . 36439 1 161 . 1 . 1 29 29 CYS HB2 H 1 3.138 0.00 . . . . . . A 29 CYS HB2 . 36439 1 162 . 1 . 1 29 29 CYS HB3 H 1 3.354 0.00 . . . . . . A 29 CYS HB3 . 36439 1 163 . 1 . 1 30 30 PRO HA H 1 4.821 0.00 . 1 . . . . A 30 PRO HA . 36439 1 164 . 1 . 1 30 30 PRO HB2 H 1 2.017 0.00 . . . . . . A 30 PRO HB2 . 36439 1 165 . 1 . 1 30 30 PRO HB3 H 1 2.352 0.00 . . . . . . A 30 PRO HB3 . 36439 1 166 . 1 . 1 30 30 PRO HD2 H 1 2.957 0.00 . . . . . . A 30 PRO HD2 . 36439 1 167 . 1 . 1 30 30 PRO HD3 H 1 3.447 0.00 . . . . . . A 30 PRO HD3 . 36439 1 168 . 1 . 1 30 30 PRO HG3 H 1 1.907 0.00 . . . . . . A 30 PRO HG3 . 36439 1 169 . 1 . 1 31 31 SER H H 1 8.387 0.00 . 1 . . . . A 31 SER H . 36439 1 170 . 1 . 1 31 31 SER HA H 1 4.482 0.00 . 1 . . . . A 31 SER HA . 36439 1 171 . 1 . 1 31 31 SER HB2 H 1 3.902 0.00 . . . . . . A 31 SER HB2 . 36439 1 172 . 1 . 1 31 31 SER HB3 H 1 3.964 0.00 . . . . . . A 31 SER HB3 . 36439 1 stop_ save_