################################### # 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 51614 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name FUS_ZnF_chemical_shifts _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 2 '2D 1H-13C HSQC' . . . 51614 1 3 '2D 1H-1H NOESY' . . . 51614 1 4 '2D 1H-1H TOCSY' . . . 51614 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51614 1 2 $software_2 . . 51614 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 2 2 GLY HA2 H 1 3.94 0.02 . 2 . . . . . 1 GLY HA2 . 51614 1 2 . 1 . 1 2 2 GLY HA3 H 1 3.94 0.02 . 2 . . . . . 1 GLY HA3 . 51614 1 3 . 1 . 1 2 2 GLY CA C 13 45.1 0.1 . 1 . . . . . 1 GLY CA . 51614 1 4 . 1 . 1 3 3 GLN H H 1 8.46 0.002 . 1 . . . . . 2 GLN H . 51614 1 5 . 1 . 1 3 3 GLN HA H 1 4.35 0.004 . 1 . . . . . 2 GLN HA . 51614 1 6 . 1 . 1 3 3 GLN HB2 H 1 2.12 0.004 . 2 . . . . . 2 GLN HB2 . 51614 1 7 . 1 . 1 3 3 GLN HB3 H 1 1.99 0.004 . 2 . . . . . 2 GLN HB3 . 51614 1 8 . 1 . 1 3 3 GLN HG2 H 1 2.38 0.004 . 2 . . . . . 2 GLN HG2 . 51614 1 9 . 1 . 1 3 3 GLN HG3 H 1 2.38 0.004 . 2 . . . . . 2 GLN HG3 . 51614 1 10 . 1 . 1 3 3 GLN CA C 13 56.0 0.1 . 1 . . . . . 2 GLN CA . 51614 1 11 . 1 . 1 4 4 GLN H H 1 8.56 0.002 . 1 . . . . . 3 GLN H . 51614 1 12 . 1 . 1 4 4 GLN HA H 1 4.34 0.004 . 1 . . . . . 3 GLN HA . 51614 1 13 . 1 . 1 4 4 GLN HB2 H 1 2.13 0.004 . 2 . . . . . 3 GLN HB2 . 51614 1 14 . 1 . 1 4 4 GLN HB3 H 1 2.02 0.004 . 2 . . . . . 3 GLN HB3 . 51614 1 15 . 1 . 1 4 4 GLN HG2 H 1 2.39 0.004 . 2 . . . . . 3 GLN HG2 . 51614 1 16 . 1 . 1 4 4 GLN HG3 H 1 2.39 0.004 . 2 . . . . . 3 GLN HG3 . 51614 1 17 . 1 . 1 4 4 GLN CA C 13 55.9 0.1 . 1 . . . . . 3 GLN CA . 51614 1 18 . 1 . 1 5 5 ARG H H 1 8.52 0.002 . 1 . . . . . 4 ARG H . 51614 1 19 . 1 . 1 5 5 ARG HA H 1 4.41 0.004 . 1 . . . . . 4 ARG HA . 51614 1 20 . 1 . 1 5 5 ARG HB2 H 1 1.94 0.004 . 2 . . . . . 4 ARG HB2 . 51614 1 21 . 1 . 1 5 5 ARG HB3 H 1 1.81 0.004 . 2 . . . . . 4 ARG HB3 . 51614 1 22 . 1 . 1 5 5 ARG HG2 H 1 1.68 0.004 . 2 . . . . . 4 ARG HG2 . 51614 1 23 . 1 . 1 5 5 ARG HG3 H 1 1.68 0.004 . 2 . . . . . 4 ARG HG3 . 51614 1 24 . 1 . 1 5 5 ARG HD2 H 1 3.27 0.01 . 5 . . . . . 4 ARG HD2 . 51614 1 25 . 1 . 1 5 5 ARG HD3 H 1 3.27 0.01 . 5 . . . . . 4 ARG HD3 . 51614 1 26 . 1 . 1 5 5 ARG CA C 13 55.3 0.1 . 1 . . . . . 4 ARG CA . 51614 1 27 . 1 . 1 5 5 ARG CB C 13 27.3 0.1 . 1 . . . . . 4 ARG CB . 51614 1 28 . 1 . 1 5 5 ARG CD C 13 43.2 0.1 . 1 . . . . . 4 ARG CD . 51614 1 29 . 1 . 1 6 6 ALA H H 1 8.49 0.002 . 1 . . . . . 5 ALA H . 51614 1 30 . 1 . 1 6 6 ALA HA H 1 4.38 0.004 . 1 . . . . . 5 ALA HA . 51614 1 31 . 1 . 1 6 6 ALA HB1 H 1 1.43 0.004 . 1 . . . . . 5 ALA MB . 51614 1 32 . 1 . 1 6 6 ALA HB2 H 1 1.43 0.004 . 1 . . . . . 5 ALA MB . 51614 1 33 . 1 . 1 6 6 ALA HB3 H 1 1.43 0.004 . 1 . . . . . 5 ALA MB . 51614 1 34 . 1 . 1 6 6 ALA CA C 13 52.7 0.1 . 1 . . . . . 5 ALA CA . 51614 1 35 . 1 . 1 6 6 ALA CB C 13 19.1 0.1 . 1 . . . . . 5 ALA CB . 51614 1 36 . 1 . 1 7 7 GLY H H 1 8.57 0.02 . 1 . . . . . 6 GLY H . 51614 1 37 . 1 . 1 7 7 GLY HA2 H 1 4.05 0.04 . 2 . . . . . 6 GLY HA2 . 51614 1 38 . 1 . 1 7 7 GLY HA3 H 1 4.05 0.04 . 2 . . . . . 6 GLY HA3 . 51614 1 39 . 1 . 1 7 7 GLY CA C 13 45.0 0.1 . 1 . . . . . 6 GLY CA . 51614 1 40 . 1 . 1 8 8 ASP H H 1 7.51 0.02 . 1 . . . . . 7 ASP H . 51614 1 41 . 1 . 1 8 8 ASP HA H 1 4.35 0.04 . 1 . . . . . 7 ASP HA . 51614 1 42 . 1 . 1 8 8 ASP CA C 13 55.9 0.1 . 1 . . . . . 7 ASP CA . 51614 1 43 . 1 . 1 9 9 TRP H H 1 7.80 0.002 . 1 . . . . . 8 TRP H . 51614 1 44 . 1 . 1 9 9 TRP HA H 1 5.05 0.004 . 1 . . . . . 8 TRP HA . 51614 1 45 . 1 . 1 9 9 TRP HB2 H 1 3.28 0.004 . 2 . . . . . 8 TRP HB2 . 51614 1 46 . 1 . 1 9 9 TRP HB3 H 1 3.06 0.004 . 2 . . . . . 8 TRP HB3 . 51614 1 47 . 1 . 1 9 9 TRP HD1 H 1 7.02 0.005 . 1 . . . . . 8 TRP HD1 . 51614 1 48 . 1 . 1 9 9 TRP HE1 H 1 9.50 0.005 . 1 . . . . . 8 TRP HE1 . 51614 1 49 . 1 . 1 9 9 TRP HE3 H 1 7.35 0.005 . 1 . . . . . 8 TRP HE3 . 51614 1 50 . 1 . 1 9 9 TRP HZ2 H 1 6.59 0.005 . 1 . . . . . 8 TRP HZ2 . 51614 1 51 . 1 . 1 9 9 TRP HZ3 H 1 6.86 0.005 . 1 . . . . . 8 TRP HZ3 . 51614 1 52 . 1 . 1 9 9 TRP HH2 H 1 6.93 0.005 . 1 . . . . . 8 TRP HH2 . 51614 1 53 . 1 . 1 9 9 TRP CA C 13 53.5 0.1 . 1 . . . . . 8 TRP CA . 51614 1 54 . 1 . 1 9 9 TRP CB C 13 30.9 0.1 . 1 . . . . . 8 TRP CB . 51614 1 55 . 1 . 1 10 10 LYS H H 1 8.84 0.002 . 1 . . . . . 9 LYS H . 51614 1 56 . 1 . 1 10 10 LYS HA H 1 4.39 0.004 . 1 . . . . . 9 LYS HA . 51614 1 57 . 1 . 1 10 10 LYS HB2 H 1 1.73 0.004 . 2 . . . . . 9 LYS HB2 . 51614 1 58 . 1 . 1 10 10 LYS HB3 H 1 1.73 0.004 . 2 . . . . . 9 LYS HB3 . 51614 1 59 . 1 . 1 10 10 LYS HE2 H 1 2.96 0.01 . 5 . . . . . 9 LYS HE2 . 51614 1 60 . 1 . 1 10 10 LYS HE3 H 1 2.96 0.01 . 5 . . . . . 9 LYS HE3 . 51614 1 61 . 1 . 1 10 10 LYS CA C 13 55.7 0.1 . 1 . . . . . 9 LYS CA . 51614 1 62 . 1 . 1 10 10 LYS CE C 13 41.8 0.1 . 5 . . . . . 9 LYS CE . 51614 1 63 . 1 . 1 12 12 PRO HA H 1 4.68 0.01 . 5 . . . . . 11 PRO HA . 51614 1 64 . 1 . 1 12 12 PRO CA C 13 62.1 0.1 . 5 . . . . . 11 PRO CA . 51614 1 65 . 1 . 1 13 13 ASN H H 1 9.29 0.002 . 1 . . . . . 12 ASN H . 51614 1 66 . 1 . 1 13 13 ASN HA H 1 4.91 0.004 . 1 . . . . . 12 ASN HA . 51614 1 67 . 1 . 1 13 13 ASN HB2 H 1 2.80 0.004 . 2 . . . . . 12 ASN HB2 . 51614 1 68 . 1 . 1 13 13 ASN HB3 H 1 2.80 0.004 . 2 . . . . . 12 ASN HB3 . 51614 1 69 . 1 . 1 13 13 ASN CA C 13 50.9 0.1 . 1 . . . . . 12 ASN CA . 51614 1 70 . 1 . 1 13 13 ASN CB C 13 38.9 0.1 . 1 . . . . . 12 ASN CB . 51614 1 71 . 1 . 1 14 14 PRO HA H 1 4.60 0.01 . 5 . . . . . 13 PRO HA . 51614 1 72 . 1 . 1 14 14 PRO CA C 13 63.6 0.1 . 5 . . . . . 13 PRO CA . 51614 1 73 . 1 . 1 15 15 THR H H 1 7.84 0.002 . 1 . . . . . 14 THR H . 51614 1 74 . 1 . 1 15 15 THR HA H 1 4.49 0.004 . 1 . . . . . 14 THR HA . 51614 1 75 . 1 . 1 15 15 THR HB H 1 4.43 0.004 . 1 . . . . . 14 THR HB . 51614 1 76 . 1 . 1 15 15 THR HG21 H 1 1.21 0.004 . 1 . . . . . 14 THR MG . 51614 1 77 . 1 . 1 15 15 THR HG22 H 1 1.21 0.004 . 1 . . . . . 14 THR MG . 51614 1 78 . 1 . 1 15 15 THR HG23 H 1 1.21 0.004 . 1 . . . . . 14 THR MG . 51614 1 79 . 1 . 1 15 15 THR CA C 13 64.4 0.1 . 1 . . . . . 14 THR CA . 51614 1 80 . 1 . 1 15 15 THR CB C 13 68.8 0.1 . 1 . . . . . 14 THR CB . 51614 1 81 . 1 . 1 15 15 THR CG2 C 13 21.6 0.1 . 1 . . . . . 14 THR CG2 . 51614 1 82 . 1 . 1 16 16 CYS H H 1 8.01 0.002 . 1 . . . . . 15 CYS H . 51614 1 83 . 1 . 1 16 16 CYS HA H 1 4.39 0.004 . 1 . . . . . 15 CYS HA . 51614 1 84 . 1 . 1 16 16 CYS HB2 H 1 3.18 0.004 . 2 . . . . . 15 CYS HB2 . 51614 1 85 . 1 . 1 16 16 CYS HB3 H 1 2.59 0.004 . 2 . . . . . 15 CYS HB3 . 51614 1 86 . 1 . 1 16 16 CYS CA C 13 60.1 0.1 . 1 . . . . . 15 CYS CA . 51614 1 87 . 1 . 1 17 17 GLU H H 1 7.79 0.002 . 1 . . . . . 16 GLU H . 51614 1 88 . 1 . 1 17 17 GLU HA H 1 4.27 0.004 . 1 . . . . . 16 GLU HA . 51614 1 89 . 1 . 1 17 17 GLU HB2 H 1 2.08 0.005 . 2 . . . . . 16 GLU HB2 . 51614 1 90 . 1 . 1 17 17 GLU HB3 H 1 2.08 0.005 . 2 . . . . . 16 GLU HB3 . 51614 1 91 . 1 . 1 18 18 ASN H H 1 8.45 0.002 . 1 . . . . . 17 ASN H . 51614 1 92 . 1 . 1 18 18 ASN HA H 1 4.31 0.004 . 1 . . . . . 17 ASN HA . 51614 1 93 . 1 . 1 18 18 ASN HB2 H 1 2.65 0.004 . 2 . . . . . 17 ASN HB2 . 51614 1 94 . 1 . 1 18 18 ASN HB3 H 1 2.53 0.004 . 2 . . . . . 17 ASN HB3 . 51614 1 95 . 1 . 1 18 18 ASN CA C 13 54.6 0.1 . 1 . . . . . 17 ASN CA . 51614 1 96 . 1 . 1 19 19 MET H H 1 7.97 0.002 . 1 . . . . . 18 MET H . 51614 1 97 . 1 . 1 19 19 MET HA H 1 4.71 0.004 . 1 . . . . . 18 MET HA . 51614 1 98 . 1 . 1 19 19 MET HB2 H 1 1.78 0.004 . 2 . . . . . 18 MET HB2 . 51614 1 99 . 1 . 1 19 19 MET HB3 H 1 1.62 0.004 . 2 . . . . . 18 MET HB3 . 51614 1 100 . 1 . 1 19 19 MET HG2 H 1 2.47 0.004 . 2 . . . . . 18 MET HG2 . 51614 1 101 . 1 . 1 19 19 MET HG3 H 1 2.47 0.004 . 2 . . . . . 18 MET HG3 . 51614 1 102 . 1 . 1 19 19 MET HE1 H 1 1.82 0.005 . 1 . . . . . 18 MET ME . 51614 1 103 . 1 . 1 19 19 MET HE2 H 1 1.82 0.005 . 1 . . . . . 18 MET ME . 51614 1 104 . 1 . 1 19 19 MET HE3 H 1 1.82 0.005 . 1 . . . . . 18 MET ME . 51614 1 105 . 1 . 1 19 19 MET CA C 13 53.0 0.1 . 1 . . . . . 18 MET CA . 51614 1 106 . 1 . 1 19 19 MET CG C 13 31.2 0.1 . 1 . . . . . 18 MET CG . 51614 1 107 . 1 . 1 19 19 MET CE C 13 15.1 0.1 . 1 . . . . . 18 MET CE . 51614 1 108 . 1 . 1 20 20 ASN H H 1 8.61 0.002 . 1 . . . . . 19 ASN H . 51614 1 109 . 1 . 1 20 20 ASN HA H 1 4.32 0.004 . 1 . . . . . 19 ASN HA . 51614 1 110 . 1 . 1 20 20 ASN HB2 H 1 1.27 0.004 . 2 . . . . . 19 ASN HB2 . 51614 1 111 . 1 . 1 20 20 ASN HB3 H 1 0.10 0.004 . 2 . . . . . 19 ASN HB3 . 51614 1 112 . 1 . 1 20 20 ASN CA C 13 53.8 0.1 . 1 . . . . . 19 ASN CA . 51614 1 113 . 1 . 1 20 20 ASN CB C 13 43.9 0.1 . 1 . . . . . 19 ASN CB . 51614 1 114 . 1 . 1 21 21 PHE H H 1 6.78 0.002 . 1 . . . . . 20 PHE H . 51614 1 115 . 1 . 1 21 21 PHE HA H 1 4.50 0.004 . 1 . . . . . 20 PHE HA . 51614 1 116 . 1 . 1 21 21 PHE CA C 13 56.3 0.1 . 1 . . . . . 20 PHE CA . 51614 1 117 . 1 . 1 22 22 SER H H 1 9.28 0.002 . 1 . . . . . 21 SER H . 51614 1 118 . 1 . 1 22 22 SER HA H 1 4.20 0.004 . 1 . . . . . 21 SER HA . 51614 1 119 . 1 . 1 22 22 SER HB2 H 1 3.99 0.004 . 2 . . . . . 21 SER HB2 . 51614 1 120 . 1 . 1 22 22 SER HB3 H 1 3.99 0.004 . 2 . . . . . 21 SER HB3 . 51614 1 121 . 1 . 1 22 22 SER CA C 13 61.3 0.1 . 1 . . . . . 21 SER CA . 51614 1 122 . 1 . 1 22 22 SER CB C 13 63.1 0.1 . 1 . . . . . 21 SER CB . 51614 1 123 . 1 . 1 23 23 TRP H H 1 6.82 0.002 . 1 . . . . . 22 TRP H . 51614 1 124 . 1 . 1 23 23 TRP HA H 1 4.68 0.004 . 1 . . . . . 22 TRP HA . 51614 1 125 . 1 . 1 23 23 TRP HB2 H 1 3.26 0.004 . 2 . . . . . 22 TRP HB2 . 51614 1 126 . 1 . 1 23 23 TRP HB3 H 1 3.26 0.004 . 2 . . . . . 22 TRP HB3 . 51614 1 127 . 1 . 1 23 23 TRP HD1 H 1 7.35 0.005 . 1 . . . . . 22 TRP HD1 . 51614 1 128 . 1 . 1 23 23 TRP HE1 H 1 10.18 0.005 . 1 . . . . . 22 TRP HE1 . 51614 1 129 . 1 . 1 23 23 TRP HE3 H 1 7.46 0.01 . 4 . . . . . 22 TRP HE3 . 51614 1 130 . 1 . 1 23 23 TRP HZ2 H 1 7.17 0.005 . 1 . . . . . 22 TRP HZ2 . 51614 1 131 . 1 . 1 23 23 TRP HZ3 H 1 7.40 0.01 . 4 . . . . . 22 TRP HZ3 . 51614 1 132 . 1 . 1 23 23 TRP HH2 H 1 7.46 0.01 . 1 . . . . . 22 TRP HH2 . 51614 1 133 . 1 . 1 23 23 TRP CA C 13 55.7 0.1 . 1 . . . . . 22 TRP CA . 51614 1 134 . 1 . 1 23 23 TRP CB C 13 28.1 0.1 . 1 . . . . . 22 TRP CB . 51614 1 135 . 1 . 1 24 24 ARG H H 1 7.84 0.002 . 1 . . . . . 23 ARG H . 51614 1 136 . 1 . 1 24 24 ARG HA H 1 4.48 0.004 . 1 . . . . . 23 ARG HA . 51614 1 137 . 1 . 1 24 24 ARG HB2 H 1 2.05 0.004 . 2 . . . . . 23 ARG HB2 . 51614 1 138 . 1 . 1 24 24 ARG HB3 H 1 1.89 0.004 . 2 . . . . . 23 ARG HB3 . 51614 1 139 . 1 . 1 24 24 ARG HD2 H 1 3.27 0.01 . 5 . . . . . 23 ARG HD2 . 51614 1 140 . 1 . 1 24 24 ARG HD3 H 1 3.27 0.01 . 5 . . . . . 23 ARG HD3 . 51614 1 141 . 1 . 1 24 24 ARG CD C 13 43.2 0.1 . 5 . . . . . 23 ARG CD . 51614 1 142 . 1 . 1 25 25 ASN H H 1 9.14 0.002 . 1 . . . . . 24 ASN H . 51614 1 143 . 1 . 1 25 25 ASN HA H 1 4.75 0.004 . 1 . . . . . 24 ASN HA . 51614 1 144 . 1 . 1 25 25 ASN HB2 H 1 2.90 0.004 . 2 . . . . . 24 ASN HB2 . 51614 1 145 . 1 . 1 25 25 ASN HB3 H 1 2.83 0.004 . 2 . . . . . 24 ASN HB3 . 51614 1 146 . 1 . 1 25 25 ASN CA C 13 53.2 0.1 . 1 . . . . . 24 ASN CA . 51614 1 147 . 1 . 1 26 26 GLU H H 1 7.71 0.002 . 1 . . . . . 25 GLU H . 51614 1 148 . 1 . 1 26 26 GLU HA H 1 5.18 0.004 . 1 . . . . . 25 GLU HA . 51614 1 149 . 1 . 1 26 26 GLU HB2 H 1 1.97 0.004 . 2 . . . . . 25 GLU HB2 . 51614 1 150 . 1 . 1 26 26 GLU HB3 H 1 1.78 0.004 . 2 . . . . . 25 GLU HB3 . 51614 1 151 . 1 . 1 26 26 GLU CA C 13 53.9 0.1 . 1 . . . . . 25 GLU CA . 51614 1 152 . 1 . 1 27 27 CYS H H 1 9.56 0.002 . 1 . . . . . 26 CYS H . 51614 1 153 . 1 . 1 27 27 CYS HA H 1 4.04 0.004 . 1 . . . . . 26 CYS HA . 51614 1 154 . 1 . 1 27 27 CYS HB2 H 1 3.32 0.004 . 2 . . . . . 26 CYS HB2 . 51614 1 155 . 1 . 1 27 27 CYS HB3 H 1 3.19 0.004 . 2 . . . . . 26 CYS HB3 . 51614 1 156 . 1 . 1 27 27 CYS CA C 13 58.4 0.1 . 1 . . . . . 26 CYS CA . 51614 1 157 . 1 . 1 28 28 ASN H H 1 8.66 0.002 . 1 . . . . . 27 ASN H . 51614 1 158 . 1 . 1 28 28 ASN HA H 1 4.45 0.004 . 1 . . . . . 27 ASN HA . 51614 1 159 . 1 . 1 28 28 ASN HB2 H 1 2.80 0.004 . 2 . . . . . 27 ASN HB2 . 51614 1 160 . 1 . 1 28 28 ASN HB3 H 1 2.54 0.004 . 2 . . . . . 27 ASN HB3 . 51614 1 161 . 1 . 1 28 28 ASN CA C 13 55.4 0.1 . 1 . . . . . 27 ASN CA . 51614 1 162 . 1 . 1 29 29 GLN H H 1 9.22 0.002 . 1 . . . . . 28 GLN H . 51614 1 163 . 1 . 1 29 29 GLN HA H 1 4.41 0.004 . 1 . . . . . 28 GLN HA . 51614 1 164 . 1 . 1 29 29 GLN HB2 H 1 2.08 0.004 . 2 . . . . . 28 GLN HB2 . 51614 1 165 . 1 . 1 29 29 GLN HB3 H 1 1.85 0.005 . 2 . . . . . 28 GLN HB3 . 51614 1 166 . 1 . 1 29 29 GLN CA C 13 57.2 0.1 . 1 . . . . . 28 GLN CA . 51614 1 167 . 1 . 1 30 30 CYS H H 1 8.22 0.002 . 1 . . . . . 29 CYS H . 51614 1 168 . 1 . 1 30 30 CYS HA H 1 4.97 0.004 . 1 . . . . . 29 CYS HA . 51614 1 169 . 1 . 1 30 30 CYS HB2 H 1 3.17 0.004 . 2 . . . . . 29 CYS HB2 . 51614 1 170 . 1 . 1 30 30 CYS HB3 H 1 2.68 0.004 . 2 . . . . . 29 CYS HB3 . 51614 1 171 . 1 . 1 30 30 CYS CA C 13 59.3 0.1 . 1 . . . . . 29 CYS CA . 51614 1 172 . 1 . 1 31 31 LYS H H 1 7.67 0.002 . 1 . . . . . 30 LYS H . 51614 1 173 . 1 . 1 31 31 LYS HA H 1 4.18 0.004 . 1 . . . . . 30 LYS HA . 51614 1 174 . 1 . 1 31 31 LYS HB2 H 1 2.20 0.004 . 2 . . . . . 30 LYS HB2 . 51614 1 175 . 1 . 1 31 31 LYS HB3 H 1 2.07 0.004 . 2 . . . . . 30 LYS HB3 . 51614 1 176 . 1 . 1 31 31 LYS HE2 H 1 3.27 0.01 . 5 . . . . . 30 LYS HE2 . 51614 1 177 . 1 . 1 31 31 LYS HE3 H 1 3.27 0.01 . 5 . . . . . 30 LYS HE3 . 51614 1 178 . 1 . 1 31 31 LYS CA C 13 58.3 0.1 . 1 . . . . . 30 LYS CA . 51614 1 179 . 1 . 1 31 31 LYS CE C 13 41.8 0.1 . 5 . . . . . 30 LYS CE . 51614 1 180 . 1 . 1 32 32 ALA H H 1 9.08 0.002 . 1 . . . . . 31 ALA H . 51614 1 181 . 1 . 1 32 32 ALA HA H 1 4.54 0.004 . 1 . . . . . 31 ALA HA . 51614 1 182 . 1 . 1 32 32 ALA HB1 H 1 1.59 0.004 . 1 . . . . . 31 ALA MB . 51614 1 183 . 1 . 1 32 32 ALA HB2 H 1 1.59 0.004 . 1 . . . . . 31 ALA MB . 51614 1 184 . 1 . 1 32 32 ALA HB3 H 1 1.59 0.004 . 1 . . . . . 31 ALA MB . 51614 1 185 . 1 . 1 32 32 ALA CA C 13 52.0 0.1 . 1 . . . . . 31 ALA CA . 51614 1 186 . 1 . 1 32 32 ALA CB C 13 18.8 0.1 . 1 . . . . . 31 ALA CB . 51614 1 187 . 1 . 1 33 33 PRO HA H 1 4.38 0.01 . 5 . . . . . 32 PRO HA . 51614 1 188 . 1 . 1 33 33 PRO CA C 13 60.2 0.1 . 5 . . . . . 32 PRO CA . 51614 1 189 . 1 . 1 34 34 LYS H H 1 7.33 0.002 . 1 . . . . . 33 LYS H . 51614 1 190 . 1 . 1 34 34 LYS HA H 1 2.96 0.004 . 1 . . . . . 33 LYS HA . 51614 1 191 . 1 . 1 34 34 LYS HB2 H 1 0.80 0.004 . 2 . . . . . 33 LYS HB2 . 51614 1 192 . 1 . 1 34 34 LYS HB3 H 1 0.36 0.004 . 2 . . . . . 33 LYS HB3 . 51614 1 193 . 1 . 1 34 34 LYS HG2 H 1 0.60 0.004 . 2 . . . . . 33 LYS HG2 . 51614 1 194 . 1 . 1 34 34 LYS HG3 H 1 -0.27 0.004 . 2 . . . . . 33 LYS HG3 . 51614 1 195 . 1 . 1 34 34 LYS HD2 H 1 0.90 0.004 . 2 . . . . . 33 LYS HD2 . 51614 1 196 . 1 . 1 34 34 LYS HD3 H 1 0.79 0.004 . 2 . . . . . 33 LYS HD3 . 51614 1 197 . 1 . 1 34 34 LYS HE2 H 1 2.34 0.004 . 2 . . . . . 33 LYS HE2 . 51614 1 198 . 1 . 1 34 34 LYS HE3 H 1 2.34 0.004 . 2 . . . . . 33 LYS HE3 . 51614 1 199 . 1 . 1 34 34 LYS CA C 13 57.3 0.1 . 1 . . . . . 33 LYS CA . 51614 1 200 . 1 . 1 34 34 LYS CB C 13 32.4 0.1 . 1 . . . . . 33 LYS CB . 51614 1 201 . 1 . 1 34 34 LYS CG C 13 23.8 0.1 . 1 . . . . . 33 LYS CG . 51614 1 202 . 1 . 1 34 34 LYS CD C 13 28.9 0.1 . 1 . . . . . 33 LYS CD . 51614 1 203 . 1 . 1 34 34 LYS CE C 13 41.4 0.1 . 1 . . . . . 33 LYS CE . 51614 1 204 . 1 . 1 35 35 PRO HA H 1 4.35 0.01 . 5 . . . . . 34 PRO HA . 51614 1 205 . 1 . 1 35 35 PRO CA C 13 61.6 0.1 . 5 . . . . . 34 PRO CA . 51614 1 206 . 1 . 1 36 36 ASP HA H 1 4.84 0.01 . 1 . . . . . 35 ASP HA . 51614 1 207 . 1 . 1 36 36 ASP CA C 13 54.9 0.1 . 1 . . . . . 35 ASP CA . 51614 1 208 . 1 . 1 37 37 GLY H H 1 8.34 0.002 . 1 . . . . . 36 GLY H . 51614 1 209 . 1 . 1 37 37 GLY HA2 H 1 3.94 0.004 . 2 . . . . . 36 GLY HA2 . 51614 1 210 . 1 . 1 37 37 GLY HA3 H 1 3.94 0.004 . 2 . . . . . 36 GLY HA3 . 51614 1 211 . 1 . 1 37 37 GLY CA C 13 45.2 0.1 . 1 . . . . . 36 GLY CA . 51614 1 stop_ save_