################################### # 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 31208 _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' . . . 31208 1 2 '2D 1H-1H COSY' . . . 31208 1 3 '2D DQF-COSY' . . . 31208 1 4 '2D 1H-1H NOESY' . . . 31208 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 3.613 0.000 . 2 . . . . A 1 GLY HA2 . 31208 1 2 . 1 . 1 2 2 PHE H H 1 8.657 0.001 . 1 . . . . A 2 PHE H . 31208 1 3 . 1 . 1 2 2 PHE HA H 1 4.024 0.002 . 1 . . . . A 2 PHE HA . 31208 1 4 . 1 . 1 2 2 PHE HB2 H 1 2.963 0.000 . 2 . . . . A 2 PHE HB2 . 31208 1 5 . 1 . 1 2 2 PHE HB3 H 1 2.728 0.001 . 2 . . . . A 2 PHE HB3 . 31208 1 6 . 1 . 1 2 2 PHE HD1 H 1 6.916 0.000 . 3 . . . . A 2 PHE HD1 . 31208 1 7 . 1 . 1 2 2 PHE HD2 H 1 6.916 0.000 . 3 . . . . A 2 PHE HD2 . 31208 1 8 . 1 . 1 2 2 PHE HE1 H 1 7.238 0.000 . 3 . . . . A 2 PHE HE1 . 31208 1 9 . 1 . 1 2 2 PHE HE2 H 1 7.238 0.000 . 3 . . . . A 2 PHE HE2 . 31208 1 10 . 1 . 1 3 3 GLY H H 1 8.182 0.000 . 1 . . . . A 3 GLY H . 31208 1 11 . 1 . 1 3 3 GLY HA2 H 1 3.474 0.000 . 2 . . . . A 3 GLY HA2 . 31208 1 12 . 1 . 1 4 4 CYS H H 1 7.651 0.002 . 1 . . . . A 4 CYS H . 31208 1 13 . 1 . 1 4 4 CYS HA H 1 4.713 0.002 . 1 . . . . A 4 CYS HA . 31208 1 14 . 1 . 1 4 4 CYS HB2 H 1 2.762 0.000 . 2 . . . . A 4 CYS HB2 . 31208 1 15 . 1 . 1 4 4 CYS HB3 H 1 2.631 0.000 . 2 . . . . A 4 CYS HB3 . 31208 1 16 . 1 . 1 5 5 ASN H H 1 8.084 0.001 . 1 . . . . A 5 ASN H . 31208 1 17 . 1 . 1 5 5 ASN HA H 1 5.168 0.001 . 1 . . . . A 5 ASN HA . 31208 1 18 . 1 . 1 5 5 ASN HB2 H 1 3.068 0.000 . 2 . . . . A 5 ASN HB2 . 31208 1 19 . 1 . 1 5 5 ASN HB3 H 1 2.716 0.000 . 2 . . . . A 5 ASN HB3 . 31208 1 20 . 1 . 1 5 5 ASN HD21 H 1 6.916 0.000 . 2 . . . . A 5 ASN HD21 . 31208 1 21 . 1 . 1 5 5 ASN HD22 H 1 7.377 0.000 . 2 . . . . A 5 ASN HD22 . 31208 1 22 . 1 . 1 6 6 GLY H H 1 7.261 0.000 . 1 . . . . A 6 GLY H . 31208 1 23 . 1 . 1 6 6 GLY HA2 H 1 1.688 0.002 . 2 . . . . A 6 GLY HA2 . 31208 1 24 . 1 . 1 7 7 PRO HA H 1 3.980 0.001 . 1 . . . . A 7 PRO HA . 31208 1 25 . 1 . 1 7 7 PRO HB2 H 1 1.843 0.000 . 2 . . . . A 7 PRO HB2 . 31208 1 26 . 1 . 1 7 7 PRO HB3 H 1 1.176 0.002 . 2 . . . . A 7 PRO HB3 . 31208 1 27 . 1 . 1 7 7 PRO HG2 H 1 1.768 0.002 . 2 . . . . A 7 PRO HG2 . 31208 1 28 . 1 . 1 7 7 PRO HG3 H 1 1.514 0.004 . 2 . . . . A 7 PRO HG3 . 31208 1 29 . 1 . 1 7 7 PRO HD2 H 1 3.195 0.001 . 2 . . . . A 7 PRO HD2 . 31208 1 30 . 1 . 1 7 7 PRO HD3 H 1 3.114 0.001 . 2 . . . . A 7 PRO HD3 . 31208 1 31 . 1 . 1 8 8 TRP H H 1 7.631 0.000 . 1 . . . . A 8 TRP H . 31208 1 32 . 1 . 1 8 8 TRP HA H 1 4.747 0.002 . 1 . . . . A 8 TRP HA . 31208 1 33 . 1 . 1 8 8 TRP HB2 H 1 3.472 0.001 . 2 . . . . A 8 TRP HB2 . 31208 1 34 . 1 . 1 8 8 TRP HB3 H 1 3.163 0.004 . 2 . . . . A 8 TRP HB3 . 31208 1 35 . 1 . 1 8 8 TRP HD1 H 1 7.195 0.000 . 1 . . . . A 8 TRP HD1 . 31208 1 36 . 1 . 1 8 8 TRP HE1 H 1 10.147 0.001 . 1 . . . . A 8 TRP HE1 . 31208 1 37 . 1 . 1 8 8 TRP HE3 H 1 7.690 0.000 . 1 . . . . A 8 TRP HE3 . 31208 1 38 . 1 . 1 8 8 TRP HZ2 H 1 7.561 0.002 . 1 . . . . A 8 TRP HZ2 . 31208 1 39 . 1 . 1 8 8 TRP HZ3 H 1 7.225 0.000 . 1 . . . . A 8 TRP HZ3 . 31208 1 40 . 1 . 1 8 8 TRP HH2 H 1 7.322 0.000 . 1 . . . . A 8 TRP HH2 . 31208 1 41 . 1 . 1 9 9 ASN H H 1 7.851 0.001 . 1 . . . . A 9 ASN H . 31208 1 42 . 1 . 1 9 9 ASN HA H 1 4.731 0.003 . 1 . . . . A 9 ASN HA . 31208 1 43 . 1 . 1 9 9 ASN HB2 H 1 2.610 0.002 . 2 . . . . A 9 ASN HB2 . 31208 1 44 . 1 . 1 9 9 ASN HB3 H 1 2.397 0.000 . 2 . . . . A 9 ASN HB3 . 31208 1 45 . 1 . 1 9 9 ASN HD21 H 1 6.959 0.000 . 2 . . . . A 9 ASN HD21 . 31208 1 46 . 1 . 1 9 9 ASN HD22 H 1 7.577 0.000 . 2 . . . . A 9 ASN HD22 . 31208 1 47 . 1 . 1 10 10 GLU H H 1 8.494 0.001 . 1 . . . . A 10 GLU H . 31208 1 48 . 1 . 1 10 10 GLU HA H 1 4.798 0.005 . 1 . . . . A 10 GLU HA . 31208 1 49 . 1 . 1 10 10 GLU HB2 H 1 1.944 0.005 . 2 . . . . A 10 GLU HB2 . 31208 1 50 . 1 . 1 10 10 GLU HG2 H 1 2.269 0.000 . 2 . . . . A 10 GLU HG2 . 31208 1 51 . 1 . 1 11 11 ASP H H 1 8.582 0.000 . 1 . . . . A 11 ASP H . 31208 1 52 . 1 . 1 11 11 ASP HA H 1 4.932 0.001 . 1 . . . . A 11 ASP HA . 31208 1 53 . 1 . 1 11 11 ASP HB2 H 1 2.586 0.001 . 2 . . . . A 11 ASP HB2 . 31208 1 54 . 1 . 1 12 12 ASP H H 1 8.211 0.001 . 1 . . . . A 12 ASP H . 31208 1 55 . 1 . 1 12 12 ASP HA H 1 4.193 0.001 . 1 . . . . A 12 ASP HA . 31208 1 56 . 1 . 1 12 12 ASP HB2 H 1 2.803 0.001 . 2 . . . . A 12 ASP HB2 . 31208 1 57 . 1 . 1 13 13 B3L H H 1 7.858 0.000 . 1 . . . . A 13 B3L H . 31208 1 58 . 1 . 1 13 13 B3L H1E1 H 1 0.723 0.002 . 2 . . . . A 13 B3L H1E1 . 31208 1 59 . 1 . 1 13 13 B3L H1E2 H 1 0.815 0.001 . 4 1 . . . A 13 B3L H1E2 . 31208 1 60 . 1 . 1 13 13 B3L H2E1 H 1 0.723 0.002 . 4 1 . . . A 13 B3L H2E1 . 31208 1 61 . 1 . 1 13 13 B3L H2E2 H 1 0.815 0.001 . 4 1 . . . A 13 B3L H2E2 . 31208 1 62 . 1 . 1 13 13 B3L H3E1 H 1 0.723 0.002 . 2 . . . . A 13 B3L H3E1 . 31208 1 63 . 1 . 1 13 13 B3L H3E2 H 1 0.815 0.001 . 4 1 . . . A 13 B3L H3E2 . 31208 1 64 . 1 . 1 13 13 B3L HA H 1 4.281 0.001 . 1 . . . . A 13 B3L HA . 31208 1 65 . 1 . 1 13 13 B3L HB1 H 1 2.410 0.003 . 4 1 . . . A 13 B3L HB1 . 31208 1 66 . 1 . 1 13 13 B3L HB2 H 1 2.558 0.002 . 4 1 . . . A 13 B3L HB2 . 31208 1 67 . 1 . 1 13 13 B3L HD H 1 1.589 0.006 . 1 . . . . A 13 B3L HD . 31208 1 68 . 1 . 1 13 13 B3L HG H 1 1.267 0.001 . 4 1 . . . A 13 B3L HG . 31208 1 69 . 1 . 1 13 13 B3L HGA H 1 1.660 0.001 . 4 1 . . . A 13 B3L HGA . 31208 1 70 . 1 . 1 14 14 ARG H H 1 7.593 0.001 . 1 . . . . A 14 ARG H . 31208 1 71 . 1 . 1 14 14 ARG HA H 1 4.011 0.001 . 1 . . . . A 14 ARG HA . 31208 1 72 . 1 . 1 14 14 ARG HB2 H 1 1.830 0.002 . 2 . . . . A 14 ARG HB2 . 31208 1 73 . 1 . 1 14 14 ARG HB3 H 1 1.788 0.001 . 2 . . . . A 14 ARG HB3 . 31208 1 74 . 1 . 1 14 14 ARG HG2 H 1 1.804 0.000 . 2 . . . . A 14 ARG HG2 . 31208 1 75 . 1 . 1 14 14 ARG HG3 H 1 1.631 0.000 . 2 . . . . A 14 ARG HG3 . 31208 1 76 . 1 . 1 14 14 ARG HD2 H 1 3.214 0.000 . 2 . . . . A 14 ARG HD2 . 31208 1 77 . 1 . 1 14 14 ARG HD3 H 1 3.214 0.000 . 2 . . . . A 14 ARG HD3 . 31208 1 78 . 1 . 1 14 14 ARG HE H 1 7.429 0.001 . 1 . . . . A 14 ARG HE . 31208 1 79 . 1 . 1 15 15 CYS H H 1 7.731 0.001 . 1 . . . . A 15 CYS H . 31208 1 80 . 1 . 1 15 15 CYS HA H 1 5.035 0.000 . 1 . . . . A 15 CYS HA . 31208 1 81 . 1 . 1 15 15 CYS HB2 H 1 3.748 0.001 . 2 . . . . A 15 CYS HB2 . 31208 1 82 . 1 . 1 15 15 CYS HB3 H 1 2.838 0.001 . 2 . . . . A 15 CYS HB3 . 31208 1 83 . 1 . 1 16 16 HIS H H 1 9.052 0.000 . 1 . . . . A 16 HIS H . 31208 1 84 . 1 . 1 16 16 HIS HA H 1 3.560 0.001 . 1 . . . . A 16 HIS HA . 31208 1 85 . 1 . 1 16 16 HIS HB2 H 1 3.760 0.001 . 2 . . . . A 16 HIS HB2 . 31208 1 86 . 1 . 1 16 16 HIS HB3 H 1 3.197 0.003 . 2 . . . . A 16 HIS HB3 . 31208 1 87 . 1 . 1 16 16 HIS HD2 H 1 7.632 0.000 . 1 . . . . A 16 HIS HD2 . 31208 1 88 . 1 . 1 16 16 HIS HE1 H 1 8.816 0.000 . 1 . . . . A 16 HIS HE1 . 31208 1 89 . 1 . 1 17 17 B3X H H 1 8.350 0.001 . 1 . . . . A 17 B3X H . 31208 1 90 . 1 . 1 17 17 B3X HA H 1 4.663 0.000 . 1 . . . . A 17 B3X HA . 31208 1 91 . 1 . 1 17 17 B3X HB1 H 1 2.409 0.001 . 2 . . . . A 17 B3X HB1 . 31208 1 92 . 1 . 1 17 17 B3X HB2 H 1 2.670 0.000 . 2 . . . . A 17 B3X HB2 . 31208 1 93 . 1 . 1 17 17 B3X HE21 H 1 7.466 0.000 . 2 . . . . A 17 B3X HE21 . 31208 1 94 . 1 . 1 17 17 B3X HE22 H 1 7.761 0.000 . 2 . . . . A 17 B3X HE22 . 31208 1 95 . 1 . 1 17 17 B3X HG2 H 1 2.641 0.000 . 2 . . . . A 17 B3X HG2 . 31208 1 96 . 1 . 1 17 17 B3X HG3 H 1 2.792 0.000 . 2 . . . . A 17 B3X HG3 . 31208 1 97 . 1 . 1 18 18 HIS H H 1 8.645 0.000 . 1 . . . . A 18 HIS H . 31208 1 98 . 1 . 1 18 18 HIS HA H 1 4.171 0.001 . 1 . . . . A 18 HIS HA . 31208 1 99 . 1 . 1 18 18 HIS HB2 H 1 3.888 0.001 . 2 . . . . A 18 HIS HB2 . 31208 1 100 . 1 . 1 18 18 HIS HB3 H 1 3.076 0.000 . 2 . . . . A 18 HIS HB3 . 31208 1 101 . 1 . 1 18 18 HIS HD2 H 1 6.716 0.000 . 1 . . . . A 18 HIS HD2 . 31208 1 102 . 1 . 1 18 18 HIS HE1 H 1 8.054 0.000 . 1 . . . . A 18 HIS HE1 . 31208 1 103 . 1 . 1 19 19 CYS H H 1 8.296 0.001 . 1 . . . . A 19 CYS H . 31208 1 104 . 1 . 1 19 19 CYS HA H 1 3.870 0.005 . 1 . . . . A 19 CYS HA . 31208 1 105 . 1 . 1 19 19 CYS HB2 H 1 2.368 0.001 . 2 . . . . A 19 CYS HB2 . 31208 1 106 . 1 . 1 19 19 CYS HB3 H 1 2.188 0.001 . 2 . . . . A 19 CYS HB3 . 31208 1 107 . 1 . 1 20 20 B3K H H 1 7.427 0.001 . 1 . . . . A 20 B3K H . 31208 1 108 . 1 . 1 20 20 B3K HA H 1 4.071 0.003 . 1 . . . . A 20 B3K HA . 31208 1 109 . 1 . 1 20 20 B3K HD2 H 1 1.378 0.000 . 2 . . . . A 20 B3K HD2 . 31208 1 110 . 1 . 1 20 20 B3K HD3 H 1 1.378 0.000 . 2 . . . . A 20 B3K HD3 . 31208 1 111 . 1 . 1 20 20 B3K HE2 H 1 1.686 0.000 . 2 . . . . A 20 B3K HE2 . 31208 1 112 . 1 . 1 20 20 B3K HE3 H 1 1.686 0.000 . 2 . . . . A 20 B3K HE3 . 31208 1 113 . 1 . 1 20 20 B3K HF1 H 1 3.074 0.000 . 2 . . . . A 20 B3K HF1 . 31208 1 114 . 1 . 1 20 20 B3K HF2 H 1 3.074 0.000 . 2 . . . . A 20 B3K HF2 . 31208 1 115 . 1 . 1 20 20 B3K HG2 H 1 1.139 0.000 . 2 . . . . A 20 B3K HG2 . 31208 1 116 . 1 . 1 21 21 SER H H 1 7.624 0.001 . 1 . . . . A 21 SER H . 31208 1 117 . 1 . 1 21 21 SER HA H 1 4.206 0.002 . 1 . . . . A 21 SER HA . 31208 1 118 . 1 . 1 21 21 SER HB2 H 1 4.044 0.000 . 2 . . . . A 21 SER HB2 . 31208 1 119 . 1 . 1 21 21 SER HB3 H 1 3.873 0.001 . 2 . . . . A 21 SER HB3 . 31208 1 120 . 1 . 1 22 22 ILE H H 1 7.549 0.001 . 1 . . . . A 22 ILE H . 31208 1 121 . 1 . 1 22 22 ILE HA H 1 4.191 0.001 . 1 . . . . A 22 ILE HA . 31208 1 122 . 1 . 1 22 22 ILE HB H 1 1.998 0.000 . 1 . . . . A 22 ILE HB . 31208 1 123 . 1 . 1 22 22 ILE HG12 H 1 1.280 0.000 . 2 . . . . A 22 ILE HG12 . 31208 1 124 . 1 . 1 22 22 ILE HG13 H 1 0.804 0.001 . 2 . . . . A 22 ILE HG13 . 31208 1 125 . 1 . 1 22 22 ILE HG21 H 1 0.739 0.000 . 1 . . . . A 22 ILE HG21 . 31208 1 126 . 1 . 1 22 22 ILE HG22 H 1 0.739 0.000 . 1 . . . . A 22 ILE HG22 . 31208 1 127 . 1 . 1 22 22 ILE HG23 H 1 0.739 0.000 . 1 . . . . A 22 ILE HG23 . 31208 1 128 . 1 . 1 22 22 ILE HD11 H 1 0.532 0.002 . 1 . . . . A 22 ILE HD11 . 31208 1 129 . 1 . 1 22 22 ILE HD12 H 1 0.532 0.002 . 1 . . . . A 22 ILE HD12 . 31208 1 130 . 1 . 1 22 22 ILE HD13 H 1 0.532 0.002 . 1 . . . . A 22 ILE HD13 . 31208 1 131 . 1 . 1 23 23 LYS H H 1 8.147 0.001 . 1 . . . . A 23 LYS H . 31208 1 132 . 1 . 1 23 23 LYS HA H 1 4.021 0.002 . 1 . . . . A 23 LYS HA . 31208 1 133 . 1 . 1 23 23 LYS HB2 H 1 1.745 0.000 . 2 . . . . A 23 LYS HB2 . 31208 1 134 . 1 . 1 23 23 LYS HB3 H 1 1.692 0.000 . 2 . . . . A 23 LYS HB3 . 31208 1 135 . 1 . 1 23 23 LYS HG2 H 1 1.417 0.050 . 2 . . . . A 23 LYS HG2 . 31208 1 136 . 1 . 1 23 23 LYS HG3 H 1 1.417 0.050 . 2 . . . . A 23 LYS HG3 . 31208 1 137 . 1 . 1 23 23 LYS HD2 H 1 1.664 0.001 . 2 . . . . A 23 LYS HD2 . 31208 1 138 . 1 . 1 23 23 LYS HD3 H 1 1.664 0.001 . 2 . . . . A 23 LYS HD3 . 31208 1 139 . 1 . 1 23 23 LYS HE2 H 1 2.975 0.001 . 2 . . . . A 23 LYS HE2 . 31208 1 140 . 1 . 1 23 23 LYS HE3 H 1 2.975 0.001 . 2 . . . . A 23 LYS HE3 . 31208 1 141 . 1 . 1 24 24 GLY H H 1 8.460 0.001 . 1 . . . . A 24 GLY H . 31208 1 142 . 1 . 1 24 24 GLY HA2 H 1 3.543 0.002 . 2 . . . . A 24 GLY HA2 . 31208 1 143 . 1 . 1 25 25 TYR H H 1 7.833 0.000 . 1 . . . . A 25 TYR H . 31208 1 144 . 1 . 1 25 25 TYR HA H 1 4.815 0.000 . 1 . . . . A 25 TYR HA . 31208 1 145 . 1 . 1 25 25 TYR HB2 H 1 3.113 0.000 . 2 . . . . A 25 TYR HB2 . 31208 1 146 . 1 . 1 25 25 TYR HB3 H 1 2.908 0.002 . 2 . . . . A 25 TYR HB3 . 31208 1 147 . 1 . 1 25 25 TYR HD1 H 1 6.986 0.001 . 3 . . . . A 25 TYR HD1 . 31208 1 148 . 1 . 1 25 25 TYR HD2 H 1 6.986 0.001 . 3 . . . . A 25 TYR HD2 . 31208 1 149 . 1 . 1 25 25 TYR HE1 H 1 6.677 0.000 . 3 . . . . A 25 TYR HE1 . 31208 1 150 . 1 . 1 25 25 TYR HE2 H 1 6.677 0.000 . 3 . . . . A 25 TYR HE2 . 31208 1 151 . 1 . 1 26 26 LYS H H 1 9.272 0.000 . 1 . . . . A 26 LYS H . 31208 1 152 . 1 . 1 26 26 LYS HA H 1 4.356 0.002 . 1 . . . . A 26 LYS HA . 31208 1 153 . 1 . 1 26 26 LYS HB2 H 1 1.915 0.001 . 2 . . . . A 26 LYS HB2 . 31208 1 154 . 1 . 1 26 26 LYS HB3 H 1 1.679 0.000 . 2 . . . . A 26 LYS HB3 . 31208 1 155 . 1 . 1 26 26 LYS HG2 H 1 1.552 0.000 . 2 . . . . A 26 LYS HG2 . 31208 1 156 . 1 . 1 26 26 LYS HG3 H 1 1.501 0.000 . 2 . . . . A 26 LYS HG3 . 31208 1 157 . 1 . 1 26 26 LYS HD2 H 1 1.774 0.000 . 2 . . . . A 26 LYS HD2 . 31208 1 158 . 1 . 1 26 26 LYS HD3 H 1 1.774 0.000 . 2 . . . . A 26 LYS HD3 . 31208 1 159 . 1 . 1 26 26 LYS HE2 H 1 3.074 0.000 . 2 . . . . A 26 LYS HE2 . 31208 1 160 . 1 . 1 26 26 LYS HE3 H 1 3.074 0.000 . 2 . . . . A 26 LYS HE3 . 31208 1 161 . 1 . 1 27 27 GLY H H 1 7.040 0.001 . 1 . . . . A 27 GLY H . 31208 1 162 . 1 . 1 27 27 GLY HA2 H 1 2.693 0.000 . 2 . . . . A 27 GLY HA2 . 31208 1 163 . 1 . 1 28 28 GLY H H 1 6.540 0.002 . 1 . . . . A 28 GLY H . 31208 1 164 . 1 . 1 28 28 GLY HA2 H 1 4.188 0.000 . 2 . . . . A 28 GLY HA2 . 31208 1 165 . 1 . 1 29 29 TYR H H 1 8.619 0.002 . 1 . . . . A 29 TYR H . 31208 1 166 . 1 . 1 29 29 TYR HA H 1 4.848 0.001 . 1 . . . . A 29 TYR HA . 31208 1 167 . 1 . 1 29 29 TYR HB2 H 1 3.286 0.000 . 2 . . . . A 29 TYR HB2 . 31208 1 168 . 1 . 1 29 29 TYR HB3 H 1 3.138 0.001 . 2 . . . . A 29 TYR HB3 . 31208 1 169 . 1 . 1 29 29 TYR HD1 H 1 7.058 0.000 . 3 . . . . A 29 TYR HD1 . 31208 1 170 . 1 . 1 29 29 TYR HD2 H 1 7.058 0.000 . 3 . . . . A 29 TYR HD2 . 31208 1 171 . 1 . 1 29 29 TYR HE1 H 1 6.683 0.000 . 3 . . . . A 29 TYR HE1 . 31208 1 172 . 1 . 1 29 29 TYR HE2 H 1 6.683 0.000 . 3 . . . . A 29 TYR HE2 . 31208 1 173 . 1 . 1 30 30 CYS H H 1 8.777 0.002 . 1 . . . . A 30 CYS H . 31208 1 174 . 1 . 1 30 30 CYS HA H 1 5.521 0.001 . 1 . . . . A 30 CYS HA . 31208 1 175 . 1 . 1 30 30 CYS HB2 H 1 2.852 0.001 . 2 . . . . A 30 CYS HB2 . 31208 1 176 . 1 . 1 30 30 CYS HB3 H 1 2.571 0.000 . 2 . . . . A 30 CYS HB3 . 31208 1 177 . 1 . 1 31 31 ALA H H 1 9.457 0.000 . 1 . . . . A 31 ALA H . 31208 1 178 . 1 . 1 31 31 ALA HA H 1 4.690 0.000 . 1 . . . . A 31 ALA HA . 31208 1 179 . 1 . 1 31 31 ALA HB1 H 1 1.434 0.000 . 1 . . . . A 31 ALA HB1 . 31208 1 180 . 1 . 1 31 31 ALA HB2 H 1 1.434 0.000 . 1 . . . . A 31 ALA HB2 . 31208 1 181 . 1 . 1 31 31 ALA HB3 H 1 1.434 0.000 . 1 . . . . A 31 ALA HB3 . 31208 1 182 . 1 . 1 32 32 LYS H H 1 8.862 0.000 . 1 . . . . A 32 LYS H . 31208 1 183 . 1 . 1 32 32 LYS HA H 1 3.994 0.001 . 1 . . . . A 32 LYS HA . 31208 1 184 . 1 . 1 32 32 LYS HB2 H 1 1.982 0.003 . 2 . . . . A 32 LYS HB2 . 31208 1 185 . 1 . 1 32 32 LYS HB3 H 1 1.844 0.000 . 2 . . . . A 32 LYS HB3 . 31208 1 186 . 1 . 1 32 32 LYS HG2 H 1 1.477 0.000 . 2 . . . . A 32 LYS HG2 . 31208 1 187 . 1 . 1 32 32 LYS HG3 H 1 1.419 0.000 . 2 . . . . A 32 LYS HG3 . 31208 1 188 . 1 . 1 32 32 LYS HD2 H 1 1.712 0.000 . 2 . . . . A 32 LYS HD2 . 31208 1 189 . 1 . 1 32 32 LYS HD3 H 1 1.712 0.000 . 2 . . . . A 32 LYS HD3 . 31208 1 190 . 1 . 1 32 32 LYS HE2 H 1 3.000 0.003 . 2 . . . . A 32 LYS HE2 . 31208 1 191 . 1 . 1 32 32 LYS HE3 H 1 3.000 0.003 . 2 . . . . A 32 LYS HE3 . 31208 1 192 . 1 . 1 33 33 GLY H H 1 8.790 0.001 . 1 . . . . A 33 GLY H . 31208 1 193 . 1 . 1 33 33 GLY HA2 H 1 3.676 0.002 . 2 . . . . A 33 GLY HA2 . 31208 1 194 . 1 . 1 34 34 GLY H H 1 7.595 0.000 . 1 . . . . A 34 GLY H . 31208 1 195 . 1 . 1 34 34 GLY HA2 H 1 3.183 0.001 . 2 . . . . A 34 GLY HA2 . 31208 1 196 . 1 . 1 35 35 PHE H H 1 7.566 0.001 . 1 . . . . A 35 PHE H . 31208 1 197 . 1 . 1 35 35 PHE HA H 1 4.380 0.001 . 1 . . . . A 35 PHE HA . 31208 1 198 . 1 . 1 35 35 PHE HB2 H 1 3.348 0.002 . 2 . . . . A 35 PHE HB2 . 31208 1 199 . 1 . 1 35 35 PHE HB3 H 1 2.728 0.001 . 2 . . . . A 35 PHE HB3 . 31208 1 200 . 1 . 1 35 35 PHE HD1 H 1 7.325 0.000 . 3 . . . . A 35 PHE HD1 . 31208 1 201 . 1 . 1 35 35 PHE HD2 H 1 7.325 0.000 . 3 . . . . A 35 PHE HD2 . 31208 1 202 . 1 . 1 35 35 PHE HE1 H 1 7.367 0.000 . 3 . . . . A 35 PHE HE1 . 31208 1 203 . 1 . 1 35 35 PHE HE2 H 1 7.367 0.000 . 3 . . . . A 35 PHE HE2 . 31208 1 204 . 1 . 1 36 36 VAL H H 1 7.628 0.001 . 1 . . . . A 36 VAL H . 31208 1 205 . 1 . 1 36 36 VAL HA H 1 4.490 0.001 . 1 . . . . A 36 VAL HA . 31208 1 206 . 1 . 1 36 36 VAL HB H 1 1.728 0.002 . 1 . . . . A 36 VAL HB . 31208 1 207 . 1 . 1 36 36 VAL HG11 H 1 0.831 0.000 . 2 . . . . A 36 VAL HG11 . 31208 1 208 . 1 . 1 36 36 VAL HG12 H 1 0.831 0.000 . 2 . . . . A 36 VAL HG12 . 31208 1 209 . 1 . 1 36 36 VAL HG13 H 1 0.831 0.000 . 2 . . . . A 36 VAL HG13 . 31208 1 210 . 1 . 1 36 36 VAL HG21 H 1 0.939 0.002 . 2 . . . . A 36 VAL HG21 . 31208 1 211 . 1 . 1 36 36 VAL HG22 H 1 0.939 0.002 . 2 . . . . A 36 VAL HG22 . 31208 1 212 . 1 . 1 36 36 VAL HG23 H 1 0.939 0.002 . 2 . . . . A 36 VAL HG23 . 31208 1 213 . 1 . 1 37 37 CYS H H 1 8.770 0.001 . 1 . . . . A 37 CYS H . 31208 1 214 . 1 . 1 37 37 CYS HA H 1 5.073 0.002 . 1 . . . . A 37 CYS HA . 31208 1 215 . 1 . 1 37 37 CYS HB2 H 1 3.237 0.001 . 2 . . . . A 37 CYS HB2 . 31208 1 216 . 1 . 1 37 37 CYS HB3 H 1 2.597 0.002 . 2 . . . . A 37 CYS HB3 . 31208 1 217 . 1 . 1 38 38 LYS H H 1 9.079 0.001 . 1 . . . . A 38 LYS H . 31208 1 218 . 1 . 1 38 38 LYS HA H 1 4.391 0.002 . 1 . . . . A 38 LYS HA . 31208 1 219 . 1 . 1 38 38 LYS HB2 H 1 1.575 0.001 . 2 . . . . A 38 LYS HB2 . 31208 1 220 . 1 . 1 38 38 LYS HB3 H 1 1.575 0.001 . 2 . . . . A 38 LYS HB3 . 31208 1 221 . 1 . 1 38 38 LYS HG2 H 1 1.249 0.000 . 2 . . . . A 38 LYS HG2 . 31208 1 222 . 1 . 1 38 38 LYS HG3 H 1 1.176 0.000 . 2 . . . . A 38 LYS HG3 . 31208 1 223 . 1 . 1 38 38 LYS HD2 H 1 1.629 0.000 . 2 . . . . A 38 LYS HD2 . 31208 1 224 . 1 . 1 38 38 LYS HD3 H 1 1.629 0.000 . 2 . . . . A 38 LYS HD3 . 31208 1 225 . 1 . 1 38 38 LYS HE2 H 1 3.006 0.003 . 2 . . . . A 38 LYS HE2 . 31208 1 226 . 1 . 1 38 38 LYS HE3 H 1 3.006 0.003 . 2 . . . . A 38 LYS HE3 . 31208 1 227 . 1 . 1 39 39 CYS H H 1 8.202 0.001 . 1 . . . . A 39 CYS H . 31208 1 228 . 1 . 1 39 39 CYS HA H 1 5.226 0.001 . 1 . . . . A 39 CYS HA . 31208 1 229 . 1 . 1 39 39 CYS HB2 H 1 1.965 0.002 . 2 . . . . A 39 CYS HB2 . 31208 1 230 . 1 . 1 39 39 CYS HB3 H 1 1.385 0.000 . 2 . . . . A 39 CYS HB3 . 31208 1 231 . 1 . 1 40 40 TYR H H 1 8.049 0.001 . 1 . . . . A 40 TYR H . 31208 1 232 . 1 . 1 40 40 TYR HA H 1 4.967 0.000 . 1 . . . . A 40 TYR HA . 31208 1 233 . 1 . 1 40 40 TYR HB2 H 1 3.175 0.000 . 2 . . . . A 40 TYR HB2 . 31208 1 234 . 1 . 1 40 40 TYR HB3 H 1 2.877 0.000 . 2 . . . . A 40 TYR HB3 . 31208 1 235 . 1 . 1 40 40 TYR HD1 H 1 6.972 0.001 . 3 . . . . A 40 TYR HD1 . 31208 1 236 . 1 . 1 40 40 TYR HD2 H 1 6.972 0.001 . 3 . . . . A 40 TYR HD2 . 31208 1 237 . 1 . 1 40 40 TYR HE1 H 1 6.594 0.000 . 3 . . . . A 40 TYR HE1 . 31208 1 238 . 1 . 1 40 40 TYR HE2 H 1 6.594 0.000 . 3 . . . . A 40 TYR HE2 . 31208 1 239 . 1 . 1 41 41 NH2 HN1 H 1 7.691 0.000 . 2 . . . . A 41 NH2 HN1 . 31208 1 240 . 1 . 1 41 41 NH2 HN2 H 1 8.176 0.000 . 2 . . . . A 41 NH2 HN2 . 31208 1 stop_ save_