################################### # 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 31210 _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' . . . 31210 1 2 '2D 1H-1H COSY' . . . 31210 1 3 '2D DQF-COSY' . . . 31210 1 4 '2D 1H-1H NOESY' . . . 31210 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 GLY HA2 H 1 3.663 0.000 . 2 . . . . A 1 GLY HA2 . 31210 1 2 . 1 . 1 2 2 PHE H H 1 8.647 0.000 . 1 . . . . A 2 PHE H . 31210 1 3 . 1 . 1 2 2 PHE HA H 1 3.943 0.002 . 1 . . . . A 2 PHE HA . 31210 1 4 . 1 . 1 2 2 PHE HB2 H 1 2.890 0.002 . 2 . . . . A 2 PHE HB2 . 31210 1 5 . 1 . 1 2 2 PHE HB3 H 1 2.753 0.003 . 2 . . . . A 2 PHE HB3 . 31210 1 6 . 1 . 1 2 2 PHE HD1 H 1 6.848 0.000 . 3 . . . . A 2 PHE HD1 . 31210 1 7 . 1 . 1 2 2 PHE HD2 H 1 6.848 0.000 . 3 . . . . A 2 PHE HD2 . 31210 1 8 . 1 . 1 2 2 PHE HE1 H 1 7.200 0.000 . 3 . . . . A 2 PHE HE1 . 31210 1 9 . 1 . 1 2 2 PHE HE2 H 1 7.200 0.000 . 3 . . . . A 2 PHE HE2 . 31210 1 10 . 1 . 1 3 3 GLY H H 1 8.232 0.000 . 1 . . . . A 3 GLY H . 31210 1 11 . 1 . 1 3 3 GLY HA2 H 1 3.513 0.002 . 2 . . . . A 3 GLY HA2 . 31210 1 12 . 1 . 1 4 4 CYS H H 1 7.739 0.000 . 1 . . . . A 4 CYS H . 31210 1 13 . 1 . 1 4 4 CYS HA H 1 4.716 0.005 . 1 . . . . A 4 CYS HA . 31210 1 14 . 1 . 1 4 4 CYS HB2 H 1 2.870 0.001 . 2 . . . . A 4 CYS HB2 . 31210 1 15 . 1 . 1 4 4 CYS HB3 H 1 2.664 0.000 . 2 . . . . A 4 CYS HB3 . 31210 1 16 . 1 . 1 5 5 ASN H H 1 7.984 0.000 . 1 . . . . A 5 ASN H . 31210 1 17 . 1 . 1 5 5 ASN HA H 1 5.138 0.001 . 1 . . . . A 5 ASN HA . 31210 1 18 . 1 . 1 5 5 ASN HB2 H 1 3.066 0.003 . 2 . . . . A 5 ASN HB2 . 31210 1 19 . 1 . 1 5 5 ASN HB3 H 1 2.750 0.001 . 2 . . . . A 5 ASN HB3 . 31210 1 20 . 1 . 1 5 5 ASN HD21 H 1 6.918 0.000 . 2 . . . . A 5 ASN HD21 . 31210 1 21 . 1 . 1 5 5 ASN HD22 H 1 7.348 0.000 . 2 . . . . A 5 ASN HD22 . 31210 1 22 . 1 . 1 6 6 GLY H H 1 7.311 0.000 . 1 . . . . A 6 GLY H . 31210 1 23 . 1 . 1 6 6 GLY HA2 H 1 2.246 0.001 . 2 . . . . A 6 GLY HA2 . 31210 1 24 . 1 . 1 7 7 6ZS H H 1 7.017 0.000 . 1 . . . . A 7 6ZS H . 31210 1 25 . 1 . 1 7 7 6ZS H1 H 1 0.023 0.001 . 1 . . . . A 7 6ZS H1 . 31210 1 26 . 1 . 1 7 7 6ZS H3 H 1 0.023 0.001 . 1 . . . . A 7 6ZS H3 . 31210 1 27 . 1 . 1 7 7 6ZS H4 H 1 0.023 0.001 . 1 . . . . A 7 6ZS H4 . 31210 1 28 . 1 . 1 7 7 6ZS H7 H 1 0.934 0.000 . 1 . . . . A 7 6ZS H7 . 31210 1 29 . 1 . 1 7 7 6ZS H8 H 1 0.934 0.000 . 1 . . . . A 7 6ZS H8 . 31210 1 30 . 1 . 1 7 7 6ZS H9 H 1 0.934 0.000 . 1 . . . . A 7 6ZS H9 . 31210 1 31 . 1 . 1 7 7 6ZS H10 H 1 1.059 0.001 . 2 . . . . A 7 6ZS H10 . 31210 1 32 . 1 . 1 7 7 6ZS H11 H 1 1.314 0.000 . 2 . . . . A 7 6ZS H11 . 31210 1 33 . 1 . 1 8 8 TRP H H 1 7.625 0.000 . 1 . . . . A 8 TRP H . 31210 1 34 . 1 . 1 8 8 TRP HA H 1 4.773 0.004 . 1 . . . . A 8 TRP HA . 31210 1 35 . 1 . 1 8 8 TRP HB2 H 1 3.535 0.003 . 2 . . . . A 8 TRP HB2 . 31210 1 36 . 1 . 1 8 8 TRP HB3 H 1 3.038 0.006 . 2 . . . . A 8 TRP HB3 . 31210 1 37 . 1 . 1 8 8 TRP HD1 H 1 7.242 0.000 . 1 . . . . A 8 TRP HD1 . 31210 1 38 . 1 . 1 8 8 TRP HE1 H 1 10.125 0.000 . 1 . . . . A 8 TRP HE1 . 31210 1 39 . 1 . 1 8 8 TRP HE3 H 1 7.713 0.002 . 1 . . . . A 8 TRP HE3 . 31210 1 40 . 1 . 1 8 8 TRP HZ2 H 1 7.509 0.001 . 1 . . . . A 8 TRP HZ2 . 31210 1 41 . 1 . 1 8 8 TRP HZ3 H 1 7.187 0.001 . 1 . . . . A 8 TRP HZ3 . 31210 1 42 . 1 . 1 8 8 TRP HH2 H 1 7.261 0.000 . 1 . . . . A 8 TRP HH2 . 31210 1 43 . 1 . 1 9 9 ASN H H 1 7.818 0.003 . 1 . . . . A 9 ASN H . 31210 1 44 . 1 . 1 9 9 ASN HA H 1 4.743 0.003 . 1 . . . . A 9 ASN HA . 31210 1 45 . 1 . 1 9 9 ASN HB2 H 1 2.627 0.000 . 2 . . . . A 9 ASN HB2 . 31210 1 46 . 1 . 1 9 9 ASN HB3 H 1 2.346 0.001 . 2 . . . . A 9 ASN HB3 . 31210 1 47 . 1 . 1 9 9 ASN HD21 H 1 6.951 0.000 . 2 . . . . A 9 ASN HD21 . 31210 1 48 . 1 . 1 9 9 ASN HD22 H 1 7.611 0.000 . 2 . . . . A 9 ASN HD22 . 31210 1 49 . 1 . 1 10 10 GLU H H 1 8.455 0.001 . 1 . . . . A 10 GLU H . 31210 1 50 . 1 . 1 10 10 GLU HA H 1 4.796 0.000 . 1 . . . . A 10 GLU HA . 31210 1 51 . 1 . 1 10 10 GLU HB2 H 1 1.965 0.000 . 2 . . . . A 10 GLU HB2 . 31210 1 52 . 1 . 1 10 10 GLU HG2 H 1 2.236 0.002 . 2 . . . . A 10 GLU HG2 . 31210 1 53 . 1 . 1 11 11 ASP H H 1 8.512 0.001 . 1 . . . . A 11 ASP H . 31210 1 54 . 1 . 1 11 11 ASP HA H 1 4.912 0.000 . 1 . . . . A 11 ASP HA . 31210 1 55 . 1 . 1 11 11 ASP HB2 H 1 2.636 0.001 . 2 . . . . A 11 ASP HB2 . 31210 1 56 . 1 . 1 12 12 ASP H H 1 8.493 0.001 . 1 . . . . A 12 ASP H . 31210 1 57 . 1 . 1 12 12 ASP HA H 1 4.366 0.000 . 1 . . . . A 12 ASP HA . 31210 1 58 . 1 . 1 12 12 ASP HB2 H 1 2.784 0.000 . 2 . . . . A 12 ASP HB2 . 31210 1 59 . 1 . 1 13 13 LEU H H 1 8.297 0.001 . 1 . . . . A 13 LEU H . 31210 1 60 . 1 . 1 13 13 LEU HA H 1 4.247 0.001 . 1 . . . . A 13 LEU HA . 31210 1 61 . 1 . 1 13 13 LEU HB2 H 1 1.903 0.000 . 2 . . . . A 13 LEU HB2 . 31210 1 62 . 1 . 1 13 13 LEU HB3 H 1 1.640 0.000 . 2 . . . . A 13 LEU HB3 . 31210 1 63 . 1 . 1 13 13 LEU HG H 1 1.637 0.000 . 1 . . . . A 13 LEU HG . 31210 1 64 . 1 . 1 13 13 LEU HD11 H 1 0.915 0.002 . 2 . . . . A 13 LEU HD11 . 31210 1 65 . 1 . 1 13 13 LEU HD12 H 1 0.915 0.002 . 2 . . . . A 13 LEU HD12 . 31210 1 66 . 1 . 1 13 13 LEU HD13 H 1 0.915 0.002 . 2 . . . . A 13 LEU HD13 . 31210 1 67 . 1 . 1 13 13 LEU HD21 H 1 0.915 0.002 . 2 . . . . A 13 LEU HD21 . 31210 1 68 . 1 . 1 13 13 LEU HD22 H 1 0.915 0.002 . 2 . . . . A 13 LEU HD22 . 31210 1 69 . 1 . 1 13 13 LEU HD23 H 1 0.915 0.002 . 2 . . . . A 13 LEU HD23 . 31210 1 70 . 1 . 1 14 14 ARG H H 1 7.441 0.000 . 1 . . . . A 14 ARG H . 31210 1 71 . 1 . 1 14 14 ARG HA H 1 4.065 0.002 . 1 . . . . A 14 ARG HA . 31210 1 72 . 1 . 1 14 14 ARG HB2 H 1 1.822 0.002 . 2 . . . . A 14 ARG HB2 . 31210 1 73 . 1 . 1 14 14 ARG HB3 H 1 1.822 0.002 . 2 . . . . A 14 ARG HB3 . 31210 1 74 . 1 . 1 14 14 ARG HG2 H 1 1.737 0.002 . 2 . . . . A 14 ARG HG2 . 31210 1 75 . 1 . 1 14 14 ARG HG3 H 1 1.515 0.001 . 2 . . . . A 14 ARG HG3 . 31210 1 76 . 1 . 1 14 14 ARG HD2 H 1 3.159 0.001 . 2 . . . . A 14 ARG HD2 . 31210 1 77 . 1 . 1 14 14 ARG HD3 H 1 3.159 0.001 . 2 . . . . A 14 ARG HD3 . 31210 1 78 . 1 . 1 14 14 ARG HE H 1 7.371 0.001 . 1 . . . . A 14 ARG HE . 31210 1 79 . 1 . 1 15 15 CYS H H 1 7.409 0.000 . 1 . . . . A 15 CYS H . 31210 1 80 . 1 . 1 15 15 CYS HA H 1 4.866 0.003 . 1 . . . . A 15 CYS HA . 31210 1 81 . 1 . 1 15 15 CYS HB2 H 1 3.754 0.000 . 2 . . . . A 15 CYS HB2 . 31210 1 82 . 1 . 1 15 15 CYS HB3 H 1 2.592 0.001 . 2 . . . . A 15 CYS HB3 . 31210 1 83 . 1 . 1 16 16 HIS H H 1 9.106 0.000 . 1 . . . . A 16 HIS H . 31210 1 84 . 1 . 1 16 16 HIS HA H 1 3.805 0.003 . 1 . . . . A 16 HIS HA . 31210 1 85 . 1 . 1 16 16 HIS HB2 H 1 3.674 0.003 . 2 . . . . A 16 HIS HB2 . 31210 1 86 . 1 . 1 16 16 HIS HB3 H 1 3.576 0.001 . 2 . . . . A 16 HIS HB3 . 31210 1 87 . 1 . 1 16 16 HIS HD2 H 1 7.494 0.000 . 1 . . . . A 16 HIS HD2 . 31210 1 88 . 1 . 1 16 16 HIS HE1 H 1 8.690 0.000 . 1 . . . . A 16 HIS HE1 . 31210 1 89 . 1 . 1 17 17 ASN H H 1 8.852 0.000 . 1 . . . . A 17 ASN H . 31210 1 90 . 1 . 1 17 17 ASN HA H 1 4.350 0.001 . 1 . . . . A 17 ASN HA . 31210 1 91 . 1 . 1 17 17 ASN HB2 H 1 2.956 0.000 . 2 . . . . A 17 ASN HB2 . 31210 1 92 . 1 . 1 17 17 ASN HB3 H 1 2.859 0.000 . 2 . . . . A 17 ASN HB3 . 31210 1 93 . 1 . 1 17 17 ASN HD21 H 1 6.920 0.000 . 2 . . . . A 17 ASN HD21 . 31210 1 94 . 1 . 1 17 17 ASN HD22 H 1 7.664 0.000 . 2 . . . . A 17 ASN HD22 . 31210 1 95 . 1 . 1 18 18 HIS H H 1 8.192 0.000 . 1 . . . . A 18 HIS H . 31210 1 96 . 1 . 1 18 18 HIS HA H 1 4.324 0.000 . 1 . . . . A 18 HIS HA . 31210 1 97 . 1 . 1 18 18 HIS HB2 H 1 3.605 0.001 . 2 . . . . A 18 HIS HB2 . 31210 1 98 . 1 . 1 18 18 HIS HB3 H 1 3.214 0.000 . 2 . . . . A 18 HIS HB3 . 31210 1 99 . 1 . 1 18 18 HIS HD2 H 1 6.656 0.000 . 1 . . . . A 18 HIS HD2 . 31210 1 100 . 1 . 1 18 18 HIS HE1 H 1 8.106 0.000 . 1 . . . . A 18 HIS HE1 . 31210 1 101 . 1 . 1 19 19 CYS H H 1 8.484 0.000 . 1 . . . . A 19 CYS H . 31210 1 102 . 1 . 1 19 19 CYS HA H 1 3.729 0.001 . 1 . . . . A 19 CYS HA . 31210 1 103 . 1 . 1 19 19 CYS HB2 H 1 2.285 0.002 . 2 . . . . A 19 CYS HB2 . 31210 1 104 . 1 . 1 19 19 CYS HB3 H 1 2.152 0.001 . 2 . . . . A 19 CYS HB3 . 31210 1 105 . 1 . 1 20 20 LYS H H 1 7.707 0.000 . 1 . . . . A 20 LYS H . 31210 1 106 . 1 . 1 20 20 LYS HA H 1 3.855 0.001 . 1 . . . . A 20 LYS HA . 31210 1 107 . 1 . 1 20 20 LYS HB2 H 1 1.590 0.001 . 2 . . . . A 20 LYS HB2 . 31210 1 108 . 1 . 1 20 20 LYS HB3 H 1 1.590 0.001 . 2 . . . . A 20 LYS HB3 . 31210 1 109 . 1 . 1 20 20 LYS HG2 H 1 1.234 0.000 . 2 . . . . A 20 LYS HG2 . 31210 1 110 . 1 . 1 20 20 LYS HG3 H 1 1.234 0.000 . 2 . . . . A 20 LYS HG3 . 31210 1 111 . 1 . 1 20 20 LYS HD2 H 1 1.504 0.005 . 2 . . . . A 20 LYS HD2 . 31210 1 112 . 1 . 1 20 20 LYS HD3 H 1 1.504 0.005 . 2 . . . . A 20 LYS HD3 . 31210 1 113 . 1 . 1 20 20 LYS HE2 H 1 3.008 0.002 . 2 . . . . A 20 LYS HE2 . 31210 1 114 . 1 . 1 20 20 LYS HE3 H 1 3.008 0.002 . 2 . . . . A 20 LYS HE3 . 31210 1 115 . 1 . 1 21 21 SER H H 1 7.234 0.001 . 1 . . . . A 21 SER H . 31210 1 116 . 1 . 1 21 21 SER HA H 1 4.373 0.001 . 1 . . . . A 21 SER HA . 31210 1 117 . 1 . 1 21 21 SER HB2 H 1 4.023 0.001 . 2 . . . . A 21 SER HB2 . 31210 1 118 . 1 . 1 21 21 SER HB3 H 1 3.887 0.002 . 2 . . . . A 21 SER HB3 . 31210 1 119 . 1 . 1 22 22 ILE H H 1 7.561 0.001 . 1 . . . . A 22 ILE H . 31210 1 120 . 1 . 1 22 22 ILE HA H 1 4.363 0.003 . 1 . . . . A 22 ILE HA . 31210 1 121 . 1 . 1 22 22 ILE HB H 1 2.014 0.003 . 1 . . . . A 22 ILE HB . 31210 1 122 . 1 . 1 22 22 ILE HG12 H 1 1.370 0.003 . 2 . . . . A 22 ILE HG12 . 31210 1 123 . 1 . 1 22 22 ILE HG13 H 1 0.773 0.002 . 2 . . . . A 22 ILE HG13 . 31210 1 124 . 1 . 1 22 22 ILE HG21 H 1 0.846 0.002 . 1 . . . . A 22 ILE HG21 . 31210 1 125 . 1 . 1 22 22 ILE HG22 H 1 0.846 0.002 . 1 . . . . A 22 ILE HG22 . 31210 1 126 . 1 . 1 22 22 ILE HG23 H 1 0.846 0.002 . 1 . . . . A 22 ILE HG23 . 31210 1 127 . 1 . 1 22 22 ILE HD11 H 1 0.501 0.001 . 1 . . . . A 22 ILE HD11 . 31210 1 128 . 1 . 1 22 22 ILE HD12 H 1 0.501 0.001 . 1 . . . . A 22 ILE HD12 . 31210 1 129 . 1 . 1 22 22 ILE HD13 H 1 0.501 0.001 . 1 . . . . A 22 ILE HD13 . 31210 1 130 . 1 . 1 23 23 PRO HA H 1 4.519 0.002 . 1 . . . . A 23 PRO HA . 31210 1 131 . 1 . 1 23 23 PRO HB2 H 1 2.299 0.001 . 2 . . . . A 23 PRO HB2 . 31210 1 132 . 1 . 1 23 23 PRO HB3 H 1 1.727 0.001 . 2 . . . . A 23 PRO HB3 . 31210 1 133 . 1 . 1 23 23 PRO HG2 H 1 2.088 0.002 . 2 . . . . A 23 PRO HG2 . 31210 1 134 . 1 . 1 23 23 PRO HG3 H 1 1.975 0.003 . 2 . . . . A 23 PRO HG3 . 31210 1 135 . 1 . 1 23 23 PRO HD2 H 1 3.973 0.001 . 2 . . . . A 23 PRO HD2 . 31210 1 136 . 1 . 1 23 23 PRO HD3 H 1 3.606 0.000 . 2 . . . . A 23 PRO HD3 . 31210 1 137 . 1 . 1 24 24 DPR HA H 1 4.404 0.001 . 1 . . . . A 24 DPR HA . 31210 1 138 . 1 . 1 24 24 DPR HB2 H 1 2.088 0.001 . 2 . . . . A 24 DPR HB2 . 31210 1 139 . 1 . 1 24 24 DPR HB3 H 1 2.009 0.000 . 2 . . . . A 24 DPR HB3 . 31210 1 140 . 1 . 1 24 24 DPR HD2 H 1 4.008 0.001 . 2 . . . . A 24 DPR HD2 . 31210 1 141 . 1 . 1 24 24 DPR HD3 H 1 3.537 0.001 . 2 . . . . A 24 DPR HD3 . 31210 1 142 . 1 . 1 24 24 DPR HG2 H 1 2.006 0.001 . 2 . . . . A 24 DPR HG2 . 31210 1 143 . 1 . 1 24 24 DPR HG3 H 1 1.699 0.000 . 2 . . . . A 24 DPR HG3 . 31210 1 144 . 1 . 1 25 25 TYR H H 1 7.595 0.001 . 1 . . . . A 25 TYR H . 31210 1 145 . 1 . 1 25 25 TYR HA H 1 4.853 0.000 . 1 . . . . A 25 TYR HA . 31210 1 146 . 1 . 1 25 25 TYR HB2 H 1 3.203 0.001 . 2 . . . . A 25 TYR HB2 . 31210 1 147 . 1 . 1 25 25 TYR HB3 H 1 2.592 0.001 . 2 . . . . A 25 TYR HB3 . 31210 1 148 . 1 . 1 25 25 TYR HD1 H 1 6.982 0.001 . 3 . . . . A 25 TYR HD1 . 31210 1 149 . 1 . 1 25 25 TYR HD2 H 1 6.982 0.001 . 3 . . . . A 25 TYR HD2 . 31210 1 150 . 1 . 1 25 25 TYR HE1 H 1 6.680 0.000 . 3 . . . . A 25 TYR HE1 . 31210 1 151 . 1 . 1 25 25 TYR HE2 H 1 6.680 0.000 . 3 . . . . A 25 TYR HE2 . 31210 1 152 . 1 . 1 26 26 LYS H H 1 9.271 0.001 . 1 . . . . A 26 LYS H . 31210 1 153 . 1 . 1 26 26 LYS HA H 1 4.450 0.000 . 1 . . . . A 26 LYS HA . 31210 1 154 . 1 . 1 26 26 LYS HB2 H 1 1.816 0.000 . 2 . . . . A 26 LYS HB2 . 31210 1 155 . 1 . 1 26 26 LYS HB3 H 1 1.716 0.000 . 2 . . . . A 26 LYS HB3 . 31210 1 156 . 1 . 1 26 26 LYS HG2 H 1 1.418 0.001 . 2 . . . . A 26 LYS HG2 . 31210 1 157 . 1 . 1 26 26 LYS HG3 H 1 1.418 0.001 . 2 . . . . A 26 LYS HG3 . 31210 1 158 . 1 . 1 26 26 LYS HD2 H 1 1.760 0.000 . 2 . . . . A 26 LYS HD2 . 31210 1 159 . 1 . 1 26 26 LYS HD3 H 1 1.760 0.000 . 2 . . . . A 26 LYS HD3 . 31210 1 160 . 1 . 1 26 26 LYS HE2 H 1 3.052 0.002 . 2 . . . . A 26 LYS HE2 . 31210 1 161 . 1 . 1 26 26 LYS HE3 H 1 3.052 0.002 . 2 . . . . A 26 LYS HE3 . 31210 1 162 . 1 . 1 27 27 GLY H H 1 7.188 0.000 . 1 . . . . A 27 GLY H . 31210 1 163 . 1 . 1 27 27 GLY HA2 H 1 3.288 0.001 . 2 . . . . A 27 GLY HA2 . 31210 1 164 . 1 . 1 28 28 GLY H H 1 7.932 0.001 . 1 . . . . A 28 GLY H . 31210 1 165 . 1 . 1 28 28 GLY HA2 H 1 4.304 0.001 . 2 . . . . A 28 GLY HA2 . 31210 1 166 . 1 . 1 29 29 TYR H H 1 8.481 0.000 . 1 . . . . A 29 TYR H . 31210 1 167 . 1 . 1 29 29 TYR HA H 1 4.844 0.002 . 1 . . . . A 29 TYR HA . 31210 1 168 . 1 . 1 29 29 TYR HB2 H 1 3.243 0.003 . 2 . . . . A 29 TYR HB2 . 31210 1 169 . 1 . 1 29 29 TYR HB3 H 1 3.107 0.001 . 2 . . . . A 29 TYR HB3 . 31210 1 170 . 1 . 1 29 29 TYR HD1 H 1 7.047 0.001 . 3 . . . . A 29 TYR HD1 . 31210 1 171 . 1 . 1 29 29 TYR HD2 H 1 7.047 0.001 . 3 . . . . A 29 TYR HD2 . 31210 1 172 . 1 . 1 29 29 TYR HE1 H 1 6.690 0.000 . 3 . . . . A 29 TYR HE1 . 31210 1 173 . 1 . 1 29 29 TYR HE2 H 1 6.690 0.000 . 3 . . . . A 29 TYR HE2 . 31210 1 174 . 1 . 1 30 30 CYS H H 1 8.588 0.002 . 1 . . . . A 30 CYS H . 31210 1 175 . 1 . 1 30 30 CYS HA H 1 5.543 0.002 . 1 . . . . A 30 CYS HA . 31210 1 176 . 1 . 1 30 30 CYS HB2 H 1 2.846 0.002 . 2 . . . . A 30 CYS HB2 . 31210 1 177 . 1 . 1 30 30 CYS HB3 H 1 2.547 0.001 . 2 . . . . A 30 CYS HB3 . 31210 1 178 . 1 . 1 31 31 ALA H H 1 9.896 0.000 . 1 . . . . A 31 ALA H . 31210 1 179 . 1 . 1 31 31 ALA HA H 1 4.859 0.000 . 1 . . . . A 31 ALA HA . 31210 1 180 . 1 . 1 31 31 ALA HB1 H 1 1.445 0.000 . 1 . . . . A 31 ALA HB1 . 31210 1 181 . 1 . 1 31 31 ALA HB2 H 1 1.445 0.000 . 1 . . . . A 31 ALA HB2 . 31210 1 182 . 1 . 1 31 31 ALA HB3 H 1 1.445 0.000 . 1 . . . . A 31 ALA HB3 . 31210 1 183 . 1 . 1 32 32 LYS H H 1 9.082 0.001 . 1 . . . . A 32 LYS H . 31210 1 184 . 1 . 1 32 32 LYS HA H 1 4.082 0.001 . 1 . . . . A 32 LYS HA . 31210 1 185 . 1 . 1 32 32 LYS HB2 H 1 2.020 0.000 . 2 . . . . A 32 LYS HB2 . 31210 1 186 . 1 . 1 32 32 LYS HB3 H 1 1.971 0.001 . 2 . . . . A 32 LYS HB3 . 31210 1 187 . 1 . 1 32 32 LYS HG2 H 1 1.476 0.000 . 2 . . . . A 32 LYS HG2 . 31210 1 188 . 1 . 1 32 32 LYS HG3 H 1 1.429 0.002 . 2 . . . . A 32 LYS HG3 . 31210 1 189 . 1 . 1 32 32 LYS HD2 H 1 1.724 0.000 . 2 . . . . A 32 LYS HD2 . 31210 1 190 . 1 . 1 32 32 LYS HD3 H 1 1.724 0.000 . 2 . . . . A 32 LYS HD3 . 31210 1 191 . 1 . 1 32 32 LYS HE2 H 1 3.012 0.003 . 2 . . . . A 32 LYS HE2 . 31210 1 192 . 1 . 1 32 32 LYS HE3 H 1 3.012 0.003 . 2 . . . . A 32 LYS HE3 . 31210 1 193 . 1 . 1 33 33 DPR HA H 1 4.522 0.001 . 1 . . . . A 33 DPR HA . 31210 1 194 . 1 . 1 33 33 DPR HB2 H 1 2.332 0.002 . 2 . . . . A 33 DPR HB2 . 31210 1 195 . 1 . 1 33 33 DPR HB3 H 1 1.781 0.000 . 2 . . . . A 33 DPR HB3 . 31210 1 196 . 1 . 1 33 33 DPR HD2 H 1 3.896 0.001 . 2 . . . . A 33 DPR HD2 . 31210 1 197 . 1 . 1 33 33 DPR HD3 H 1 3.766 0.002 . 2 . . . . A 33 DPR HD3 . 31210 1 198 . 1 . 1 33 33 DPR HG2 H 1 2.015 0.002 . 2 . . . . A 33 DPR HG2 . 31210 1 199 . 1 . 1 33 33 DPR HG3 H 1 2.015 0.002 . 2 . . . . A 33 DPR HG3 . 31210 1 200 . 1 . 1 34 34 GLY H H 1 7.172 0.001 . 1 . . . . A 34 GLY H . 31210 1 201 . 1 . 1 34 34 GLY HA2 H 1 3.188 0.000 . 2 . . . . A 34 GLY HA2 . 31210 1 202 . 1 . 1 35 35 PHE H H 1 7.470 0.001 . 1 . . . . A 35 PHE H . 31210 1 203 . 1 . 1 35 35 PHE HA H 1 4.466 0.000 . 1 . . . . A 35 PHE HA . 31210 1 204 . 1 . 1 35 35 PHE HB2 H 1 3.342 0.002 . 2 . . . . A 35 PHE HB2 . 31210 1 205 . 1 . 1 35 35 PHE HB3 H 1 2.869 0.001 . 2 . . . . A 35 PHE HB3 . 31210 1 206 . 1 . 1 35 35 PHE HD1 H 1 7.359 0.000 . 3 . . . . A 35 PHE HD1 . 31210 1 207 . 1 . 1 35 35 PHE HD2 H 1 7.359 0.000 . 3 . . . . A 35 PHE HD2 . 31210 1 208 . 1 . 1 36 36 VAL H H 1 8.204 0.001 . 1 . . . . A 36 VAL H . 31210 1 209 . 1 . 1 36 36 VAL HA H 1 4.482 0.001 . 1 . . . . A 36 VAL HA . 31210 1 210 . 1 . 1 36 36 VAL HB H 1 1.713 0.001 . 1 . . . . A 36 VAL HB . 31210 1 211 . 1 . 1 36 36 VAL HG11 H 1 0.835 0.001 . 2 . . . . A 36 VAL HG11 . 31210 1 212 . 1 . 1 36 36 VAL HG12 H 1 0.835 0.001 . 2 . . . . A 36 VAL HG12 . 31210 1 213 . 1 . 1 36 36 VAL HG13 H 1 0.835 0.001 . 2 . . . . A 36 VAL HG13 . 31210 1 214 . 1 . 1 36 36 VAL HG21 H 1 0.974 0.000 . 2 . . . . A 36 VAL HG21 . 31210 1 215 . 1 . 1 36 36 VAL HG22 H 1 0.974 0.000 . 2 . . . . A 36 VAL HG22 . 31210 1 216 . 1 . 1 36 36 VAL HG23 H 1 0.974 0.000 . 2 . . . . A 36 VAL HG23 . 31210 1 217 . 1 . 1 37 37 CYS H H 1 8.916 0.001 . 1 . . . . A 37 CYS H . 31210 1 218 . 1 . 1 37 37 CYS HA H 1 5.093 0.000 . 1 . . . . A 37 CYS HA . 31210 1 219 . 1 . 1 37 37 CYS HB2 H 1 3.263 0.002 . 2 . . . . A 37 CYS HB2 . 31210 1 220 . 1 . 1 37 37 CYS HB3 H 1 2.662 0.001 . 2 . . . . A 37 CYS HB3 . 31210 1 221 . 1 . 1 38 38 LYS H H 1 9.069 0.001 . 1 . . . . A 38 LYS H . 31210 1 222 . 1 . 1 38 38 LYS HA H 1 4.342 0.001 . 1 . . . . A 38 LYS HA . 31210 1 223 . 1 . 1 38 38 LYS HB2 H 1 1.592 0.003 . 2 . . . . A 38 LYS HB2 . 31210 1 224 . 1 . 1 38 38 LYS HB3 H 1 1.592 0.003 . 2 . . . . A 38 LYS HB3 . 31210 1 225 . 1 . 1 38 38 LYS HG2 H 1 1.237 0.000 . 2 . . . . A 38 LYS HG2 . 31210 1 226 . 1 . 1 38 38 LYS HG3 H 1 1.156 0.004 . 2 . . . . A 38 LYS HG3 . 31210 1 227 . 1 . 1 38 38 LYS HD2 H 1 1.592 0.000 . 2 . . . . A 38 LYS HD2 . 31210 1 228 . 1 . 1 38 38 LYS HD3 H 1 1.592 0.000 . 2 . . . . A 38 LYS HD3 . 31210 1 229 . 1 . 1 38 38 LYS HE2 H 1 3.005 0.001 . 2 . . . . A 38 LYS HE2 . 31210 1 230 . 1 . 1 38 38 LYS HE3 H 1 3.005 0.001 . 2 . . . . A 38 LYS HE3 . 31210 1 231 . 1 . 1 39 39 CYS H H 1 8.149 0.001 . 1 . . . . A 39 CYS H . 31210 1 232 . 1 . 1 39 39 CYS HA H 1 5.317 0.001 . 1 . . . . A 39 CYS HA . 31210 1 233 . 1 . 1 39 39 CYS HB2 H 1 2.075 0.002 . 2 . . . . A 39 CYS HB2 . 31210 1 234 . 1 . 1 39 39 CYS HB3 H 1 1.505 0.002 . 2 . . . . A 39 CYS HB3 . 31210 1 235 . 1 . 1 40 40 TYR H H 1 8.242 0.001 . 1 . . . . A 40 TYR H . 31210 1 236 . 1 . 1 40 40 TYR HA H 1 5.024 0.001 . 1 . . . . A 40 TYR HA . 31210 1 237 . 1 . 1 40 40 TYR HB2 H 1 3.223 0.002 . 2 . . . . A 40 TYR HB2 . 31210 1 238 . 1 . 1 40 40 TYR HB3 H 1 2.902 0.002 . 2 . . . . A 40 TYR HB3 . 31210 1 239 . 1 . 1 40 40 TYR HD1 H 1 7.031 0.000 . 3 . . . . A 40 TYR HD1 . 31210 1 240 . 1 . 1 40 40 TYR HD2 H 1 7.031 0.000 . 3 . . . . A 40 TYR HD2 . 31210 1 241 . 1 . 1 40 40 TYR HE1 H 1 6.694 0.000 . 3 . . . . A 40 TYR HE1 . 31210 1 242 . 1 . 1 40 40 TYR HE2 H 1 6.694 0.000 . 3 . . . . A 40 TYR HE2 . 31210 1 243 . 1 . 1 41 41 NH2 HN1 H 1 7.795 0.000 . 2 . . . . A 41 NH2 HN1 . 31210 1 244 . 1 . 1 41 41 NH2 HN2 H 1 8.224 0.000 . 2 . . . . A 41 NH2 HN2 . 31210 1 stop_ save_