################################### # 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 30498 _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 $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 TOCSY' . . . 30498 1 2 '2D NOESY' . . . 30498 1 3 '2D COSY' . . . 30498 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 ASN HA H 1 4.352 0.000 . 1 . . . . A 1 ASN HA . 30498 1 2 . 1 1 1 1 ASN HB2 H 1 3.044 0.000 . 1 . . . . A 1 ASN HB2 . 30498 1 3 . 1 1 1 1 ASN HB3 H 1 3.044 0.000 . 1 . . . . A 1 ASN HB3 . 30498 1 4 . 1 1 1 1 ASN HD21 H 1 7.100 0.000 . 2 . . . . A 1 ASN HD21 . 30498 1 5 . 1 1 1 1 ASN HD22 H 1 7.755 0.001 . 2 . . . . A 1 ASN HD22 . 30498 1 6 . 1 1 2 2 ASP H H 1 8.800 0.001 . 1 . . . . A 2 ASP H . 30498 1 7 . 1 1 2 2 ASP HA H 1 4.665 0.000 . 1 . . . . A 2 ASP HA . 30498 1 8 . 1 1 2 2 ASP HB2 H 1 2.761 0.000 . 1 . . . . A 2 ASP HB2 . 30498 1 9 . 1 1 2 2 ASP HB3 H 1 2.761 0.000 . 1 . . . . A 2 ASP HB3 . 30498 1 10 . 1 1 3 3 B3K H H 1 7.939 0.001 . 1 . . . . A 3 B3K H . 30498 1 11 . 1 1 3 3 B3K HA1 H 1 2.466 0.000 . 1 . . . . A 3 B3K HA1 . 30498 1 12 . 1 1 3 3 B3K HB H 1 4.171 0.000 . 1 . . . . A 3 B3K HB . 30498 1 13 . 1 1 3 3 B3K HD3 H 1 1.415 0.000 . 2 . . . . A 3 B3K HD3 . 30498 1 14 . 1 1 3 3 B3K HE3 H 1 1.650 0.000 . 1 . . . . A 3 B3K HE3 . 30498 1 15 . 1 1 3 3 B3K HF1 H 1 2.990 0.000 . 1 . . . . A 3 B3K HF1 . 30498 1 16 . 1 1 3 3 B3K HG3 H 1 1.568 0.001 . 1 . . . . A 3 B3K HG3 . 30498 1 17 . 1 1 3 3 B3K HNZ1 H 1 7.538 0.000 . 1 . . . . A 3 B3K HNZ1 . 30498 1 18 . 1 1 4 4 CYS H H 1 8.307 0.000 . 1 . . . . A 4 CYS H . 30498 1 19 . 1 1 4 4 CYS HA H 1 4.356 0.001 . 1 . . . . A 4 CYS HA . 30498 1 20 . 1 1 4 4 CYS HB2 H 1 3.100 0.000 . 2 . . . . A 4 CYS HB2 . 30498 1 21 . 1 1 4 4 CYS HB3 H 1 2.878 0.001 . 2 . . . . A 4 CYS HB3 . 30498 1 22 . 1 1 5 5 LYS H H 1 8.215 0.001 . 1 . . . . A 5 LYS H . 30498 1 23 . 1 1 5 5 LYS HA H 1 4.154 0.000 . 1 . . . . A 5 LYS HA . 30498 1 24 . 1 1 5 5 LYS HB2 H 1 1.822 0.005 . 2 . . . . A 5 LYS HB2 . 30498 1 25 . 1 1 5 5 LYS HB3 H 1 1.780 0.001 . 2 . . . . A 5 LYS HB3 . 30498 1 26 . 1 1 5 5 LYS HG2 H 1 1.483 0.000 . 2 . . . . A 5 LYS HG2 . 30498 1 27 . 1 1 5 5 LYS HG3 H 1 1.382 0.001 . 2 . . . . A 5 LYS HG3 . 30498 1 28 . 1 1 5 5 LYS HD2 H 1 1.679 0.000 . 1 . . . . A 5 LYS HD2 . 30498 1 29 . 1 1 5 5 LYS HD3 H 1 1.679 0.000 . 1 . . . . A 5 LYS HD3 . 30498 1 30 . 1 1 5 5 LYS HE2 H 1 2.984 0.001 . 1 . . . . A 5 LYS HE2 . 30498 1 31 . 1 1 5 5 LYS HE3 H 1 2.984 0.001 . 1 . . . . A 5 LYS HE3 . 30498 1 32 . 1 1 5 5 LYS HZ1 H 1 7.541 0.000 . 1 . . . . A 5 LYS HZ1 . 30498 1 33 . 1 1 5 5 LYS HZ2 H 1 7.541 0.000 . 1 . . . . A 5 LYS HZ2 . 30498 1 34 . 1 1 5 5 LYS HZ3 H 1 7.541 0.000 . 1 . . . . A 5 LYS HZ3 . 30498 1 35 . 1 1 6 6 B3E H H 1 7.849 0.002 . 1 . . . . A 6 B3E H . 30498 1 36 . 1 1 6 6 B3E HA1 H 1 2.498 0.001 . 1 . . . . A 6 B3E HA1 . 30498 1 37 . 1 1 6 6 B3E HB H 1 4.189 0.001 . 1 . . . . A 6 B3E HB . 30498 1 38 . 1 1 6 6 B3E HD3 H 1 2.381 0.003 . 2 . . . . A 6 B3E HD3 . 30498 1 39 . 1 1 6 6 B3E HG3 H 1 1.890 0.000 . 2 . . . . A 6 B3E HG3 . 30498 1 40 . 1 1 7 7 LEU H H 1 8.233 0.000 . 1 . . . . A 7 LEU H . 30498 1 41 . 1 1 7 7 LEU HA H 1 4.213 0.001 . 1 . . . . A 7 LEU HA . 30498 1 42 . 1 1 7 7 LEU HB2 H 1 1.746 0.000 . 2 . . . . A 7 LEU HB2 . 30498 1 43 . 1 1 7 7 LEU HB3 H 1 1.588 0.000 . 2 . . . . A 7 LEU HB3 . 30498 1 44 . 1 1 7 7 LEU HG H 1 1.471 0.001 . 1 . . . . A 7 LEU HG . 30498 1 45 . 1 1 7 7 LEU HD11 H 1 0.758 0.002 . 2 . . . . A 7 LEU HD11 . 30498 1 46 . 1 1 7 7 LEU HD12 H 1 0.758 0.002 . 2 . . . . A 7 LEU HD12 . 30498 1 47 . 1 1 7 7 LEU HD13 H 1 0.758 0.002 . 2 . . . . A 7 LEU HD13 . 30498 1 48 . 1 1 7 7 LEU HD21 H 1 0.788 0.002 . 2 . . . . A 7 LEU HD21 . 30498 1 49 . 1 1 7 7 LEU HD22 H 1 0.788 0.002 . 2 . . . . A 7 LEU HD22 . 30498 1 50 . 1 1 7 7 LEU HD23 H 1 0.788 0.002 . 2 . . . . A 7 LEU HD23 . 30498 1 51 . 1 1 8 8 LYS H H 1 8.076 0.001 . 1 . . . . A 8 LYS H . 30498 1 52 . 1 1 8 8 LYS HA H 1 4.163 0.000 . 1 . . . . A 8 LYS HA . 30498 1 53 . 1 1 8 8 LYS HB2 H 1 1.845 0.000 . 2 . . . . A 8 LYS HB2 . 30498 1 54 . 1 1 8 8 LYS HB3 H 1 1.741 0.000 . 2 . . . . A 8 LYS HB3 . 30498 1 55 . 1 1 8 8 LYS HG2 H 1 1.544 0.000 . 2 . . . . A 8 LYS HG2 . 30498 1 56 . 1 1 8 8 LYS HG3 H 1 1.365 0.000 . 2 . . . . A 8 LYS HG3 . 30498 1 57 . 1 1 8 8 LYS HD2 H 1 1.655 0.000 . 1 . . . . A 8 LYS HD2 . 30498 1 58 . 1 1 8 8 LYS HD3 H 1 1.655 0.000 . 1 . . . . A 8 LYS HD3 . 30498 1 59 . 1 1 8 8 LYS HE2 H 1 2.959 0.000 . 1 . . . . A 8 LYS HE2 . 30498 1 60 . 1 1 8 8 LYS HE3 H 1 2.959 0.000 . 1 . . . . A 8 LYS HE3 . 30498 1 61 . 1 1 9 9 B3K H H 1 7.734 0.001 . 1 . . . . A 9 B3K H . 30498 1 62 . 1 1 9 9 B3K HA1 H 1 2.444 0.001 . 1 . . . . A 9 B3K HA1 . 30498 1 63 . 1 1 9 9 B3K HB H 1 4.125 0.000 . 1 . . . . A 9 B3K HB . 30498 1 64 . 1 1 9 9 B3K HD3 H 1 1.436 0.000 . 1 . . . . A 9 B3K HD3 . 30498 1 65 . 1 1 9 9 B3K HE3 H 1 1.661 0.001 . 1 . . . . A 9 B3K HE3 . 30498 1 66 . 1 1 9 9 B3K HF1 H 1 2.982 0.000 . 1 . . . . A 9 B3K HF1 . 30498 1 67 . 1 1 9 9 B3K HG3 H 1 1.558 0.000 . 1 . . . . A 9 B3K HG3 . 30498 1 68 . 1 1 9 9 B3K HNZ1 H 1 7.542 0.000 . 1 . . . . A 9 B3K HNZ1 . 30498 1 69 . 1 1 10 10 ARG H H 1 8.133 0.001 . 1 . . . . A 10 ARG H . 30498 1 70 . 1 1 10 10 ARG HA H 1 4.151 0.000 . 1 . . . . A 10 ARG HA . 30498 1 71 . 1 1 10 10 ARG HB2 H 1 1.656 0.001 . 2 . . . . A 10 ARG HB2 . 30498 1 72 . 1 1 10 10 ARG HB3 H 1 1.536 0.002 . 2 . . . . A 10 ARG HB3 . 30498 1 73 . 1 1 10 10 ARG HG2 H 1 1.257 0.000 . 2 . . . . A 10 ARG HG2 . 30498 1 74 . 1 1 10 10 ARG HG3 H 1 1.206 0.000 . 2 . . . . A 10 ARG HG3 . 30498 1 75 . 1 1 10 10 ARG HD2 H 1 3.034 0.000 . 2 . . . . A 10 ARG HD2 . 30498 1 76 . 1 1 10 10 ARG HD3 H 1 2.987 0.002 . 2 . . . . A 10 ARG HD3 . 30498 1 77 . 1 1 10 10 ARG HE H 1 7.078 0.000 . 1 . . . . A 10 ARG HE . 30498 1 78 . 1 1 11 11 TYR H H 1 8.283 0.001 . 1 . . . . A 11 TYR H . 30498 1 79 . 1 1 11 11 TYR HA H 1 4.697 0.000 . 1 . . . . A 11 TYR HA . 30498 1 80 . 1 1 11 11 TYR HB2 H 1 3.076 0.000 . 2 . . . . A 11 TYR HB2 . 30498 1 81 . 1 1 11 11 TYR HB3 H 1 2.759 0.000 . 2 . . . . A 11 TYR HB3 . 30498 1 82 . 1 1 11 11 TYR HD1 H 1 7.103 0.001 . 1 . . . . A 11 TYR HD1 . 30498 1 83 . 1 1 11 11 TYR HD2 H 1 7.103 0.001 . 1 . . . . A 11 TYR HD2 . 30498 1 84 . 1 1 11 11 TYR HE1 H 1 6.771 0.001 . 1 . . . . A 11 TYR HE1 . 30498 1 85 . 1 1 11 11 TYR HE2 H 1 6.771 0.001 . 1 . . . . A 11 TYR HE2 . 30498 1 86 . 1 1 12 12 AIB H H 1 7.905 0.000 . 1 . . . . A 12 AIB H . 30498 1 87 . 1 1 12 12 AIB HB11 H 1 1.431 0.000 . 2 . . . . A 12 AIB HB11 . 30498 1 88 . 1 1 12 12 AIB HB21 H 1 1.483 0.000 . 2 . . . . A 12 AIB HB21 . 30498 1 89 . 1 1 13 13 GLY H H 1 8.542 0.000 . 1 . . . . A 13 GLY H . 30498 1 90 . 1 1 13 13 GLY HA2 H 1 4.051 0.001 . 2 . . . . A 13 GLY HA2 . 30498 1 91 . 1 1 13 13 GLY HA3 H 1 3.894 0.001 . 2 . . . . A 13 GLY HA3 . 30498 1 92 . 1 1 14 14 CYS H H 1 8.151 0.000 . 1 . . . . A 14 CYS H . 30498 1 93 . 1 1 14 14 CYS HA H 1 5.131 0.001 . 1 . . . . A 14 CYS HA . 30498 1 94 . 1 1 14 14 CYS HB2 H 1 3.376 0.000 . 2 . . . . A 14 CYS HB2 . 30498 1 95 . 1 1 14 14 CYS HB3 H 1 2.534 0.000 . 2 . . . . A 14 CYS HB3 . 30498 1 96 . 1 1 15 15 GLU H H 1 8.794 0.001 . 1 . . . . A 15 GLU H . 30498 1 97 . 1 1 15 15 GLU HA H 1 5.079 0.002 . 1 . . . . A 15 GLU HA . 30498 1 98 . 1 1 15 15 GLU HB2 H 1 2.160 0.000 . 1 . . . . A 15 GLU HB2 . 30498 1 99 . 1 1 15 15 GLU HB3 H 1 2.160 0.000 . 1 . . . . A 15 GLU HB3 . 30498 1 100 . 1 1 15 15 GLU HG2 H 1 2.530 0.000 . 2 . . . . A 15 GLU HG2 . 30498 1 101 . 1 1 15 15 GLU HG3 H 1 2.445 0.005 . 2 . . . . A 15 GLU HG3 . 30498 1 102 . 1 1 16 16 MVA HA H 1 5.115 0.001 . 1 . . . . A 16 MVA HA . 30498 1 103 . 1 1 16 16 MVA HB H 1 2.173 0.001 . 1 . . . . A 16 MVA HB . 30498 1 104 . 1 1 16 16 MVA HG13 H 1 0.741 0.001 . 2 . . . . A 16 MVA HG13 . 30498 1 105 . 1 1 16 16 MVA HG21 H 1 0.826 0.001 . 2 . . . . A 16 MVA HG21 . 30498 1 106 . 1 1 16 16 MVA HN1 H 1 3.318 0.001 . 1 . . . . A 16 MVA HN1 . 30498 1 107 . 1 1 17 17 ARG H H 1 8.501 0.000 . 1 . . . . A 17 ARG H . 30498 1 108 . 1 1 17 17 ARG HA H 1 4.674 0.001 . 1 . . . . A 17 ARG HA . 30498 1 109 . 1 1 17 17 ARG HB2 H 1 1.859 0.003 . 2 . . . . A 17 ARG HB2 . 30498 1 110 . 1 1 17 17 ARG HB3 H 1 1.739 0.002 . 2 . . . . A 17 ARG HB3 . 30498 1 111 . 1 1 17 17 ARG HG2 H 1 1.612 0.000 . 2 . . . . A 17 ARG HG2 . 30498 1 112 . 1 1 17 17 ARG HG3 H 1 1.560 0.001 . 2 . . . . A 17 ARG HG3 . 30498 1 113 . 1 1 17 17 ARG HD2 H 1 3.137 0.006 . 1 . . . . A 17 ARG HD2 . 30498 1 114 . 1 1 17 17 ARG HD3 H 1 3.137 0.006 . 1 . . . . A 17 ARG HD3 . 30498 1 115 . 1 1 17 17 ARG HE H 1 7.189 0.001 . 1 . . . . A 17 ARG HE . 30498 1 116 . 1 1 18 18 CYS H H 1 8.777 0.000 . 1 . . . . A 18 CYS H . 30498 1 117 . 1 1 18 18 CYS HA H 1 5.056 0.000 . 1 . . . . A 18 CYS HA . 30498 1 118 . 1 1 18 18 CYS HB2 H 1 3.300 0.000 . 2 . . . . A 18 CYS HB2 . 30498 1 119 . 1 1 18 18 CYS HB3 H 1 2.966 0.001 . 2 . . . . A 18 CYS HB3 . 30498 1 120 . 1 1 19 19 ASP H H 1 8.684 0.000 . 1 . . . . A 19 ASP H . 30498 1 121 . 1 1 19 19 ASP HA H 1 5.147 0.002 . 1 . . . . A 19 ASP HA . 30498 1 122 . 1 1 19 19 ASP HB2 H 1 2.760 0.002 . 2 . . . . A 19 ASP HB2 . 30498 1 123 . 1 1 19 19 ASP HB3 H 1 2.556 0.001 . 2 . . . . A 19 ASP HB3 . 30498 1 124 . 1 1 20 20 DPR HA H 1 4.736 0.000 . 1 . . . . A 20 DPR HA . 30498 1 125 . 1 1 20 20 DPR HB2 H 1 1.923 0.001 . 2 . . . . A 20 DPR HB2 . 30498 1 126 . 1 1 20 20 DPR HB3 H 1 2.321 0.001 . 2 . . . . A 20 DPR HB3 . 30498 1 127 . 1 1 20 20 DPR HD2 H 1 3.518 0.002 . 2 . . . . A 20 DPR HD2 . 30498 1 128 . 1 1 20 20 DPR HD3 H 1 3.881 0.002 . 2 . . . . A 20 DPR HD3 . 30498 1 129 . 1 1 20 20 DPR HG2 H 1 2.031 0.001 . 2 . . . . A 20 DPR HG2 . 30498 1 130 . 1 1 20 20 DPR HG3 H 1 2.164 0.003 . 2 . . . . A 20 DPR HG3 . 30498 1 131 . 1 1 21 21 PRO HA H 1 4.543 0.000 . 1 . . . . A 21 PRO HA . 30498 1 132 . 1 1 21 21 PRO HB2 H 1 2.243 0.002 . 1 . . . . A 21 PRO HB2 . 30498 1 133 . 1 1 21 21 PRO HB3 H 1 2.243 0.002 . 1 . . . . A 21 PRO HB3 . 30498 1 134 . 1 1 21 21 PRO HG2 H 1 2.110 0.003 . 2 . . . . A 21 PRO HG2 . 30498 1 135 . 1 1 21 21 PRO HG3 H 1 1.905 0.003 . 2 . . . . A 21 PRO HG3 . 30498 1 136 . 1 1 21 21 PRO HD2 H 1 3.990 0.001 . 2 . . . . A 21 PRO HD2 . 30498 1 137 . 1 1 21 21 PRO HD3 H 1 3.730 0.002 . 2 . . . . A 21 PRO HD3 . 30498 1 138 . 1 1 22 22 ARG H H 1 7.656 0.000 . 1 . . . . A 22 ARG H . 30498 1 139 . 1 1 22 22 ARG HA H 1 4.460 0.001 . 1 . . . . A 22 ARG HA . 30498 1 140 . 1 1 22 22 ARG HB2 H 1 1.878 0.003 . 1 . . . . A 22 ARG HB2 . 30498 1 141 . 1 1 22 22 ARG HB3 H 1 1.878 0.003 . 1 . . . . A 22 ARG HB3 . 30498 1 142 . 1 1 22 22 ARG HG2 H 1 1.605 0.002 . 1 . . . . A 22 ARG HG2 . 30498 1 143 . 1 1 22 22 ARG HG3 H 1 1.605 0.002 . 1 . . . . A 22 ARG HG3 . 30498 1 144 . 1 1 22 22 ARG HD2 H 1 3.233 0.001 . 1 . . . . A 22 ARG HD2 . 30498 1 145 . 1 1 22 22 ARG HD3 H 1 3.233 0.001 . 1 . . . . A 22 ARG HD3 . 30498 1 146 . 1 1 22 22 ARG HE H 1 7.231 0.000 . 1 . . . . A 22 ARG HE . 30498 1 147 . 1 1 23 23 TYR H H 1 8.323 0.000 . 1 . . . . A 23 TYR H . 30498 1 148 . 1 1 23 23 TYR HA H 1 5.125 0.001 . 1 . . . . A 23 TYR HA . 30498 1 149 . 1 1 23 23 TYR HB2 H 1 2.780 0.002 . 1 . . . . A 23 TYR HB2 . 30498 1 150 . 1 1 23 23 TYR HB3 H 1 2.780 0.002 . 1 . . . . A 23 TYR HB3 . 30498 1 151 . 1 1 23 23 TYR HD1 H 1 6.937 0.002 . 1 . . . . A 23 TYR HD1 . 30498 1 152 . 1 1 23 23 TYR HD2 H 1 6.937 0.002 . 1 . . . . A 23 TYR HD2 . 30498 1 153 . 1 1 23 23 TYR HE1 H 1 6.797 0.001 . 1 . . . . A 23 TYR HE1 . 30498 1 154 . 1 1 23 23 TYR HE2 H 1 6.797 0.001 . 1 . . . . A 23 TYR HE2 . 30498 1 155 . 1 1 24 24 GLU H H 1 8.962 0.001 . 1 . . . . A 24 GLU H . 30498 1 156 . 1 1 24 24 GLU HA H 1 5.156 0.006 . 1 . . . . A 24 GLU HA . 30498 1 157 . 1 1 24 24 GLU HB2 H 1 1.968 0.002 . 2 . . . . A 24 GLU HB2 . 30498 1 158 . 1 1 24 24 GLU HB3 H 1 1.894 0.001 . 2 . . . . A 24 GLU HB3 . 30498 1 159 . 1 1 24 24 GLU HG2 H 1 2.322 0.002 . 1 . . . . A 24 GLU HG2 . 30498 1 160 . 1 1 24 24 GLU HG3 H 1 2.322 0.002 . 1 . . . . A 24 GLU HG3 . 30498 1 161 . 1 1 25 25 MVA HA H 1 5.017 0.000 . 1 . . . . A 25 MVA HA . 30498 1 162 . 1 1 25 25 MVA HB H 1 2.160 0.001 . 1 . . . . A 25 MVA HB . 30498 1 163 . 1 1 25 25 MVA HG13 H 1 0.610 0.001 . 2 . . . . A 25 MVA HG13 . 30498 1 164 . 1 1 25 25 MVA HG21 H 1 0.722 0.000 . 2 . . . . A 25 MVA HG21 . 30498 1 165 . 1 1 25 25 MVA HN1 H 1 3.217 0.000 . 1 . . . . A 25 MVA HN1 . 30498 1 166 . 1 1 26 26 HIS H H 1 8.833 0.000 . 1 . . . . A 26 HIS H . 30498 1 167 . 1 1 26 26 HIS HA H 1 5.039 0.000 . 1 . . . . A 26 HIS HA . 30498 1 168 . 1 1 26 26 HIS HB2 H 1 3.305 0.000 . 2 . . . . A 26 HIS HB2 . 30498 1 169 . 1 1 26 26 HIS HB3 H 1 3.121 0.000 . 2 . . . . A 26 HIS HB3 . 30498 1 170 . 1 1 26 26 HIS HD2 H 1 7.218 0.000 . 4 . . . . A 26 HIS HD2 . 30498 1 171 . 1 1 26 26 HIS HE1 H 1 8.645 0.000 . 4 . . . . A 26 HIS HE1 . 30498 1 172 . 1 1 27 27 CYS H H 1 9.142 0.000 . 1 . . . . A 27 CYS H . 30498 1 173 . 1 1 27 27 CYS HA H 1 4.916 0.004 . 1 . . . . A 27 CYS HA . 30498 1 174 . 1 1 27 27 CYS HB2 H 1 3.203 0.003 . 2 . . . . A 27 CYS HB2 . 30498 1 175 . 1 1 27 27 CYS HB3 H 1 2.931 0.001 . 2 . . . . A 27 CYS HB3 . 30498 1 176 . 1 1 28 28 NH2 HN1 H 1 7.183 0.000 . 2 . . . . A 28 NH2 HN1 . 30498 1 177 . 1 1 28 28 NH2 HN2 H 1 7.668 0.001 . 2 . . . . A 28 NH2 HN2 . 30498 1 stop_ save_