################################### # 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 53214 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Zn-bound ZC4H2-ZL' _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' . . . 53214 1 2 '2D 1H-1H NOESY' . . . 53214 1 3 '2D 1H-15N HSQC' . . . 53214 1 4 '2D 1H-1H TOCSY' . . . 53214 1 5 '2D 1H-1H NOESY' . . . 53214 1 6 '2D 1H-13C HSQC' . . . 53214 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 . . 53214 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 MET H H 1 8.550 0.003 . 1 . . . . . 1 MET H . 53214 1 2 . 1 . 1 2 2 MET HA H 1 5.230 0.002 . 1 . . . . . 1 MET HA . 53214 1 3 . 1 . 1 2 2 MET HB2 H 1 1.969 0.017 . 2 . . . . . 1 MET HB2 . 53214 1 4 . 1 . 1 2 2 MET HB3 H 1 1.868 0.016 . 2 . . . . . 1 MET HB3 . 53214 1 5 . 1 . 1 2 2 MET HG2 H 1 2.514 0.023 . 2 . . . . . 1 MET HG2 . 53214 1 6 . 1 . 1 2 2 MET HG3 H 1 2.292 0.016 . 2 . . . . . 1 MET HG3 . 53214 1 7 . 1 . 1 2 2 MET HE1 H 1 2.085 0.000 . 1 . . . . . 1 MET HE1 . 53214 1 8 . 1 . 1 2 2 MET HE2 H 1 2.085 0.000 . 1 . . . . . 1 MET HE2 . 53214 1 9 . 1 . 1 2 2 MET HE3 H 1 2.085 0.000 . 1 . . . . . 1 MET HE3 . 53214 1 10 . 1 . 1 2 2 MET CA C 13 53.669 0.000 . 1 . . . . . 1 MET CA . 53214 1 11 . 1 . 1 2 2 MET CB C 13 33.012 0.020 . 1 . . . . . 1 MET CB . 53214 1 12 . 1 . 1 2 2 MET CG C 13 32.276 0.020 . 1 . . . . . 1 MET CG . 53214 1 13 . 1 . 1 2 2 MET CE C 13 17.087 0.000 . 1 . . . . . 1 MET CE . 53214 1 14 . 1 . 1 2 2 MET N N 15 125.791 0.000 . 1 . . . . . 1 MET N . 53214 1 15 . 1 . 1 3 3 LYS H H 1 9.394 0.005 . 1 . . . . . 2 LYS H . 53214 1 16 . 1 . 1 3 3 LYS HA H 1 4.613 0.004 . 1 . . . . . 2 LYS HA . 53214 1 17 . 1 . 1 3 3 LYS HB2 H 1 1.818 0.022 . 2 . . . . . 2 LYS HB2 . 53214 1 18 . 1 . 1 3 3 LYS HB3 H 1 1.565 0.002 . 2 . . . . . 2 LYS HB3 . 53214 1 19 . 1 . 1 3 3 LYS HG2 H 1 1.405 0.020 . 2 . . . . . 2 LYS HG2 . 53214 1 20 . 1 . 1 3 3 LYS HG3 H 1 1.034 0.012 . 2 . . . . . 2 LYS HG3 . 53214 1 21 . 1 . 1 3 3 LYS HD2 H 1 1.682 0.008 . 2 . . . . . 2 LYS HD2 . 53214 1 22 . 1 . 1 3 3 LYS HD3 H 1 1.416 0.026 . 2 . . . . . 2 LYS HD3 . 53214 1 23 . 1 . 1 3 3 LYS HE2 H 1 2.931 0.051 . 2 . . . . . 2 LYS HE2 . 53214 1 24 . 1 . 1 3 3 LYS HE3 H 1 2.931 0.051 . 2 . . . . . 2 LYS HE3 . 53214 1 25 . 1 . 1 3 3 LYS CA C 13 57.189 0.000 . 1 . . . . . 2 LYS CA . 53214 1 26 . 1 . 1 3 3 LYS CB C 13 33.086 0.000 . 1 . . . . . 2 LYS CB . 53214 1 27 . 1 . 1 3 3 LYS CG C 13 25.338 0.000 . 1 . . . . . 2 LYS CG . 53214 1 28 . 1 . 1 3 3 LYS CD C 13 29.179 0.011 . 1 . . . . . 2 LYS CD . 53214 1 29 . 1 . 1 3 3 LYS CE C 13 41.973 0.000 . 1 . . . . . 2 LYS CE . 53214 1 30 . 1 . 1 4 4 ALA H H 1 8.267 0.006 . 1 . . . . . 3 ALA H . 53214 1 31 . 1 . 1 4 4 ALA HA H 1 4.421 0.006 . 1 . . . . . 3 ALA HA . 53214 1 32 . 1 . 1 4 4 ALA HB1 H 1 1.058 0.011 . 1 . . . . . 3 ALA HB1 . 53214 1 33 . 1 . 1 4 4 ALA HB2 H 1 1.058 0.011 . 1 . . . . . 3 ALA HB2 . 53214 1 34 . 1 . 1 4 4 ALA HB3 H 1 1.058 0.011 . 1 . . . . . 3 ALA HB3 . 53214 1 35 . 1 . 1 4 4 ALA CA C 13 50.868 0.000 . 1 . . . . . 3 ALA CA . 53214 1 36 . 1 . 1 4 4 ALA CB C 13 19.257 0.000 . 1 . . . . . 3 ALA CB . 53214 1 37 . 1 . 1 4 4 ALA N N 15 121.459 0.000 . 1 . . . . . 3 ALA N . 53214 1 38 . 1 . 1 5 5 CYS H H 1 8.889 0.003 . 1 . . . . . 4 CYS H . 53214 1 39 . 1 . 1 5 5 CYS HA H 1 4.084 0.008 . 1 . . . . . 4 CYS HA . 53214 1 40 . 1 . 1 5 5 CYS HB2 H 1 3.174 0.003 . 2 . . . . . 4 CYS HB2 . 53214 1 41 . 1 . 1 5 5 CYS HB3 H 1 2.870 0.016 . 2 . . . . . 4 CYS HB3 . 53214 1 42 . 1 . 1 5 5 CYS CA C 13 57.129 0.000 . 1 . . . . . 4 CYS CA . 53214 1 43 . 1 . 1 5 5 CYS CB C 13 28.008 0.000 . 1 . . . . . 4 CYS CB . 53214 1 44 . 1 . 1 5 5 CYS N N 15 126.223 0.000 . 1 . . . . . 4 CYS N . 53214 1 45 . 1 . 1 6 6 LEU H H 1 8.673 0.021 . 1 . . . . . 5 LEU H . 53214 1 46 . 1 . 1 6 6 LEU HA H 1 4.015 0.000 . 1 . . . . . 5 LEU HA . 53214 1 47 . 1 . 1 6 6 LEU HB2 H 1 1.752 0.016 . 2 . . . . . 5 LEU HB2 . 53214 1 48 . 1 . 1 6 6 LEU HB3 H 1 1.700 0.023 . 2 . . . . . 5 LEU HB3 . 53214 1 49 . 1 . 1 6 6 LEU HG H 1 1.556 0.026 . 1 . . . . . 5 LEU HG . 53214 1 50 . 1 . 1 6 6 LEU HD11 H 1 0.929 0.024 . 2 . . . . . 5 LEU HD11 . 53214 1 51 . 1 . 1 6 6 LEU HD12 H 1 0.929 0.024 . 2 . . . . . 5 LEU HD12 . 53214 1 52 . 1 . 1 6 6 LEU HD13 H 1 0.929 0.024 . 2 . . . . . 5 LEU HD13 . 53214 1 53 . 1 . 1 6 6 LEU HD21 H 1 0.858 0.025 . 2 . . . . . 5 LEU HD21 . 53214 1 54 . 1 . 1 6 6 LEU HD22 H 1 0.858 0.025 . 2 . . . . . 5 LEU HD22 . 53214 1 55 . 1 . 1 6 6 LEU HD23 H 1 0.858 0.025 . 2 . . . . . 5 LEU HD23 . 53214 1 56 . 1 . 1 6 6 LEU CB C 13 41.935 0.011 . 1 . . . . . 5 LEU CB . 53214 1 57 . 1 . 1 6 6 LEU CG C 13 25.485 0.000 . 1 . . . . . 5 LEU CG . 53214 1 58 . 1 . 1 6 6 LEU CD1 C 13 25.186 0.000 . 2 . . . . . 5 LEU CD1 . 53214 1 59 . 1 . 1 6 6 LEU CD2 C 13 23.194 0.000 . 2 . . . . . 5 LEU CD2 . 53214 1 60 . 1 . 1 6 6 LEU N N 15 127.368 0.000 . 1 . . . . . 5 LEU N . 53214 1 61 . 1 . 1 7 7 SER H H 1 8.959 0.004 . 1 . . . . . 6 SER H . 53214 1 62 . 1 . 1 7 7 SER HA H 1 4.412 0.009 . 1 . . . . . 6 SER HA . 53214 1 63 . 1 . 1 7 7 SER HB2 H 1 3.548 0.005 . 2 . . . . . 6 SER HB2 . 53214 1 64 . 1 . 1 7 7 SER HB3 H 1 3.634 0.000 . 2 . . . . . 6 SER HB3 . 53214 1 65 . 1 . 1 7 7 SER CB C 13 65.184 0.008 . 1 . . . . . 6 SER CB . 53214 1 66 . 1 . 1 7 7 SER N N 15 115.777 0.000 . 1 . . . . . 6 SER N . 53214 1 67 . 1 . 1 8 8 CYS H H 1 9.287 0.003 . 1 . . . . . 7 CYS H . 53214 1 68 . 1 . 1 8 8 CYS HA H 1 4.722 0.003 . 1 . . . . . 7 CYS HA . 53214 1 69 . 1 . 1 8 8 CYS HB2 H 1 3.145 0.036 . 2 . . . . . 7 CYS HB2 . 53214 1 70 . 1 . 1 8 8 CYS HB3 H 1 2.468 0.021 . 2 . . . . . 7 CYS HB3 . 53214 1 71 . 1 . 1 8 8 CYS CA C 13 52.476 0.000 . 1 . . . . . 7 CYS CA . 53214 1 72 . 1 . 1 8 8 CYS CB C 13 32.097 0.066 . 1 . . . . . 7 CYS CB . 53214 1 73 . 1 . 1 8 8 CYS N N 15 119.430 0.000 . 1 . . . . . 7 CYS N . 53214 1 74 . 1 . 1 9 9 HIS H H 1 7.523 0.010 . 1 . . . . . 8 HIS H . 53214 1 75 . 1 . 1 9 9 HIS HA H 1 4.533 0.008 . 1 . . . . . 8 HIS HA . 53214 1 76 . 1 . 1 9 9 HIS HB2 H 1 3.561 0.018 . 2 . . . . . 8 HIS HB2 . 53214 1 77 . 1 . 1 9 9 HIS HB3 H 1 3.402 0.018 . 2 . . . . . 8 HIS HB3 . 53214 1 78 . 1 . 1 9 9 HIS HD2 H 1 7.070 0.014 . 1 . . . . . 8 HIS HD2 . 53214 1 79 . 1 . 1 9 9 HIS HE1 H 1 8.430 0.030 . 1 . . . . . 8 HIS HE1 . 53214 1 80 . 1 . 1 9 9 HIS CA C 13 55.289 0.000 . 1 . . . . . 8 HIS CA . 53214 1 81 . 1 . 1 9 9 HIS CD2 C 13 119.656 0.000 . 1 . . . . . 8 HIS CD2 . 53214 1 82 . 1 . 1 9 9 HIS CE1 C 13 136.176 0.000 . 1 . . . . . 8 HIS CE1 . 53214 1 83 . 1 . 1 9 9 HIS N N 15 114.856 0.000 . 1 . . . . . 8 HIS N . 53214 1 84 . 1 . 1 10 10 GLN H H 1 8.054 0.002 . 1 . . . . . 9 GLN H . 53214 1 85 . 1 . 1 10 10 GLN HA H 1 4.435 0.020 . 1 . . . . . 9 GLN HA . 53214 1 86 . 1 . 1 10 10 GLN HB2 H 1 2.000 0.028 . 2 . . . . . 9 GLN HB2 . 53214 1 87 . 1 . 1 10 10 GLN HB3 H 1 2.000 0.028 . 2 . . . . . 9 GLN HB3 . 53214 1 88 . 1 . 1 10 10 GLN HG2 H 1 2.389 0.002 . 2 . . . . . 9 GLN HG2 . 53214 1 89 . 1 . 1 10 10 GLN HG3 H 1 2.293 0.005 . 2 . . . . . 9 GLN HG3 . 53214 1 90 . 1 . 1 10 10 GLN HE21 H 1 7.553 0.000 . 2 . . . . . 9 GLN HE21 . 53214 1 91 . 1 . 1 10 10 GLN HE22 H 1 6.940 0.000 . 2 . . . . . 9 GLN HE22 . 53214 1 92 . 1 . 1 10 10 GLN CA C 13 56.117 0.000 . 1 . . . . . 9 GLN CA . 53214 1 93 . 1 . 1 10 10 GLN CB C 13 29.979 0.000 . 1 . . . . . 9 GLN CB . 53214 1 94 . 1 . 1 10 10 GLN CG C 13 34.160 0.000 . 1 . . . . . 9 GLN CG . 53214 1 95 . 1 . 1 10 10 GLN NE2 N 15 112.408 0.031 . 1 . . . . . 9 GLN NE2 . 53214 1 96 . 1 . 1 11 11 GLN H H 1 8.537 0.010 . 1 . . . . . 10 GLN H . 53214 1 97 . 1 . 1 11 11 GLN HA H 1 4.423 0.017 . 1 . . . . . 10 GLN HA . 53214 1 98 . 1 . 1 11 11 GLN HB2 H 1 1.876 0.029 . 2 . . . . . 10 GLN HB2 . 53214 1 99 . 1 . 1 11 11 GLN HB3 H 1 1.763 0.028 . 2 . . . . . 10 GLN HB3 . 53214 1 100 . 1 . 1 11 11 GLN HG2 H 1 2.260 0.035 . 2 . . . . . 10 GLN HG2 . 53214 1 101 . 1 . 1 11 11 GLN HG3 H 1 2.438 0.000 . 2 . . . . . 10 GLN HG3 . 53214 1 102 . 1 . 1 11 11 GLN HE21 H 1 6.562 0.002 . 2 . . . . . 10 GLN HE21 . 53214 1 103 . 1 . 1 11 11 GLN HE22 H 1 7.701 0.010 . 2 . . . . . 10 GLN HE22 . 53214 1 104 . 1 . 1 11 11 GLN CA C 13 55.490 0.000 . 1 . . . . . 10 GLN CA . 53214 1 105 . 1 . 1 11 11 GLN CB C 13 30.735 0.034 . 1 . . . . . 10 GLN CB . 53214 1 106 . 1 . 1 11 11 GLN CG C 13 33.829 0.000 . 1 . . . . . 10 GLN CG . 53214 1 107 . 1 . 1 11 11 GLN N N 15 122.413 0.000 . 1 . . . . . 10 GLN N . 53214 1 108 . 1 . 1 11 11 GLN NE2 N 15 112.121 0.028 . 1 . . . . . 10 GLN NE2 . 53214 1 109 . 1 . 1 12 12 ILE H H 1 8.353 0.023 . 1 . . . . . 11 ILE H . 53214 1 110 . 1 . 1 12 12 ILE HA H 1 4.226 0.033 . 1 . . . . . 11 ILE HA . 53214 1 111 . 1 . 1 12 12 ILE HB H 1 1.600 0.006 . 1 . . . . . 11 ILE HB . 53214 1 112 . 1 . 1 12 12 ILE HG12 H 1 1.769 0.000 . 2 . . . . . 11 ILE HG12 . 53214 1 113 . 1 . 1 12 12 ILE HG13 H 1 1.520 0.000 . 2 . . . . . 11 ILE HG13 . 53214 1 114 . 1 . 1 12 12 ILE HG21 H 1 0.866 0.011 . 1 . . . . . 11 ILE HG21 . 53214 1 115 . 1 . 1 12 12 ILE HG22 H 1 0.866 0.011 . 1 . . . . . 11 ILE HG22 . 53214 1 116 . 1 . 1 12 12 ILE HG23 H 1 0.866 0.011 . 1 . . . . . 11 ILE HG23 . 53214 1 117 . 1 . 1 12 12 ILE HD11 H 1 0.953 0.015 . 1 . . . . . 11 ILE HD11 . 53214 1 118 . 1 . 1 12 12 ILE HD12 H 1 0.953 0.015 . 1 . . . . . 11 ILE HD12 . 53214 1 119 . 1 . 1 12 12 ILE HD13 H 1 0.953 0.015 . 1 . . . . . 11 ILE HD13 . 53214 1 120 . 1 . 1 12 12 ILE CA C 13 59.673 0.000 . 1 . . . . . 11 ILE CA . 53214 1 121 . 1 . 1 12 12 ILE CB C 13 41.811 0.000 . 1 . . . . . 11 ILE CB . 53214 1 122 . 1 . 1 12 12 ILE CG1 C 13 27.130 0.047 . 1 . . . . . 11 ILE CG1 . 53214 1 123 . 1 . 1 12 12 ILE CG2 C 13 17.695 0.000 . 1 . . . . . 11 ILE CG2 . 53214 1 124 . 1 . 1 12 12 ILE CD1 C 13 14.193 0.000 . 1 . . . . . 11 ILE CD1 . 53214 1 125 . 1 . 1 12 12 ILE N N 15 125.168 0.000 . 1 . . . . . 11 ILE N . 53214 1 126 . 1 . 1 13 13 HIS H H 1 8.586 0.023 . 1 . . . . . 12 HIS H . 53214 1 127 . 1 . 1 13 13 HIS HA H 1 4.656 0.006 . 1 . . . . . 12 HIS HA . 53214 1 128 . 1 . 1 13 13 HIS HB2 H 1 3.221 0.023 . 2 . . . . . 12 HIS HB2 . 53214 1 129 . 1 . 1 13 13 HIS HB3 H 1 3.095 0.016 . 2 . . . . . 12 HIS HB3 . 53214 1 130 . 1 . 1 13 13 HIS HD2 H 1 7.227 0.016 . 1 . . . . . 12 HIS HD2 . 53214 1 131 . 1 . 1 13 13 HIS HE1 H 1 8.044 0.024 . 1 . . . . . 12 HIS HE1 . 53214 1 132 . 1 . 1 13 13 HIS CA C 13 58.319 0.000 . 1 . . . . . 12 HIS CA . 53214 1 133 . 1 . 1 13 13 HIS CB C 13 30.096 0.019 . 1 . . . . . 12 HIS CB . 53214 1 134 . 1 . 1 13 13 HIS CD2 C 13 119.140 0.000 . 1 . . . . . 12 HIS CD2 . 53214 1 135 . 1 . 1 13 13 HIS CE1 C 13 137.495 0.000 . 1 . . . . . 12 HIS CE1 . 53214 1 136 . 1 . 1 13 13 HIS N N 15 119.140 0.000 . 1 . . . . . 12 HIS N . 53214 1 137 . 1 . 1 14 14 ARG H H 1 8.516 0.015 . 1 . . . . . 13 ARG H . 53214 1 138 . 1 . 1 14 14 ARG HA H 1 4.278 0.029 . 1 . . . . . 13 ARG HA . 53214 1 139 . 1 . 1 14 14 ARG HB2 H 1 1.735 0.003 . 2 . . . . . 13 ARG HB2 . 53214 1 140 . 1 . 1 14 14 ARG HB3 H 1 1.735 0.003 . 2 . . . . . 13 ARG HB3 . 53214 1 141 . 1 . 1 14 14 ARG HG2 H 1 1.534 0.006 . 2 . . . . . 13 ARG HG2 . 53214 1 142 . 1 . 1 14 14 ARG HG3 H 1 1.640 0.002 . 2 . . . . . 13 ARG HG3 . 53214 1 143 . 1 . 1 14 14 ARG HD2 H 1 3.105 0.011 . 2 . . . . . 13 ARG HD2 . 53214 1 144 . 1 . 1 14 14 ARG HD3 H 1 3.125 0.019 . 2 . . . . . 13 ARG HD3 . 53214 1 145 . 1 . 1 14 14 ARG CA C 13 53.161 0.000 . 1 . . . . . 13 ARG CA . 53214 1 146 . 1 . 1 14 14 ARG CD C 13 43.435 0.000 . 1 . . . . . 13 ARG CD . 53214 1 147 . 1 . 1 14 14 ARG N N 15 121.358 0.000 . 1 . . . . . 13 ARG N . 53214 1 148 . 1 . 1 15 15 ASN H H 1 8.641 0.009 . 1 . . . . . 14 ASN H . 53214 1 149 . 1 . 1 15 15 ASN HA H 1 4.611 0.014 . 1 . . . . . 14 ASN HA . 53214 1 150 . 1 . 1 15 15 ASN HB2 H 1 2.751 0.012 . 2 . . . . . 14 ASN HB2 . 53214 1 151 . 1 . 1 15 15 ASN HB3 H 1 2.652 0.022 . 2 . . . . . 14 ASN HB3 . 53214 1 152 . 1 . 1 15 15 ASN HD21 H 1 7.546 0.000 . 2 . . . . . 14 ASN HD21 . 53214 1 153 . 1 . 1 15 15 ASN HD22 H 1 6.994 0.000 . 2 . . . . . 14 ASN HD22 . 53214 1 154 . 1 . 1 15 15 ASN CA C 13 50.910 0.000 . 1 . . . . . 14 ASN CA . 53214 1 155 . 1 . 1 15 15 ASN CB C 13 38.793 0.000 . 1 . . . . . 14 ASN CB . 53214 1 156 . 1 . 1 15 15 ASN N N 15 128.302 0.000 . 1 . . . . . 14 ASN N . 53214 1 157 . 1 . 1 15 15 ASN ND2 N 15 114.432 0.031 . 1 . . . . . 14 ASN ND2 . 53214 1 158 . 1 . 1 16 16 ALA H H 1 8.329 0.013 . 1 . . . . . 15 ALA H . 53214 1 159 . 1 . 1 16 16 ALA HA H 1 4.223 0.022 . 1 . . . . . 15 ALA HA . 53214 1 160 . 1 . 1 16 16 ALA HB1 H 1 1.317 0.023 . 1 . . . . . 15 ALA HB1 . 53214 1 161 . 1 . 1 16 16 ALA HB2 H 1 1.317 0.023 . 1 . . . . . 15 ALA HB2 . 53214 1 162 . 1 . 1 16 16 ALA HB3 H 1 1.317 0.023 . 1 . . . . . 15 ALA HB3 . 53214 1 163 . 1 . 1 16 16 ALA CA C 13 52.487 0.000 . 1 . . . . . 15 ALA CA . 53214 1 164 . 1 . 1 16 16 ALA CB C 13 19.333 0.000 . 1 . . . . . 15 ALA CB . 53214 1 165 . 1 . 1 16 16 ALA N N 15 125.493 0.000 . 1 . . . . . 15 ALA N . 53214 1 166 . 1 . 1 17 17 PRO HA H 1 4.537 0.008 . 1 . . . . . 16 PRO HA . 53214 1 167 . 1 . 1 17 17 PRO HB2 H 1 2.007 0.024 . 2 . . . . . 16 PRO HB2 . 53214 1 168 . 1 . 1 17 17 PRO HB3 H 1 1.982 0.000 . 2 . . . . . 16 PRO HB3 . 53214 1 169 . 1 . 1 17 17 PRO HG2 H 1 2.247 0.000 . 2 . . . . . 16 PRO HG2 . 53214 1 170 . 1 . 1 17 17 PRO HG3 H 1 2.068 0.000 . 2 . . . . . 16 PRO HG3 . 53214 1 171 . 1 . 1 17 17 PRO HD2 H 1 4.076 0.020 . 2 . . . . . 16 PRO HD2 . 53214 1 172 . 1 . 1 17 17 PRO HD3 H 1 3.981 0.018 . 2 . . . . . 16 PRO HD3 . 53214 1 173 . 1 . 1 17 17 PRO CA C 13 64.095 0.000 . 1 . . . . . 16 PRO CA . 53214 1 174 . 1 . 1 17 17 PRO CB C 13 32.425 0.000 . 1 . . . . . 16 PRO CB . 53214 1 175 . 1 . 1 17 17 PRO CD C 13 50.994 0.018 . 1 . . . . . 16 PRO CD . 53214 1 176 . 1 . 1 18 18 ILE H H 1 6.962 0.003 . 1 . . . . . 17 ILE H . 53214 1 177 . 1 . 1 18 18 ILE HA H 1 4.434 0.022 . 1 . . . . . 17 ILE HA . 53214 1 178 . 1 . 1 18 18 ILE HB H 1 1.529 0.043 . 1 . . . . . 17 ILE HB . 53214 1 179 . 1 . 1 18 18 ILE HG12 H 1 1.198 0.027 . 2 . . . . . 17 ILE HG12 . 53214 1 180 . 1 . 1 18 18 ILE HG13 H 1 0.859 0.013 . 2 . . . . . 17 ILE HG13 . 53214 1 181 . 1 . 1 18 18 ILE HG21 H 1 0.687 0.022 . 1 . . . . . 17 ILE HG21 . 53214 1 182 . 1 . 1 18 18 ILE HG22 H 1 0.687 0.022 . 1 . . . . . 17 ILE HG22 . 53214 1 183 . 1 . 1 18 18 ILE HG23 H 1 0.687 0.022 . 1 . . . . . 17 ILE HG23 . 53214 1 184 . 1 . 1 18 18 ILE HD11 H 1 0.760 0.021 . 1 . . . . . 17 ILE HD11 . 53214 1 185 . 1 . 1 18 18 ILE HD12 H 1 0.760 0.021 . 1 . . . . . 17 ILE HD12 . 53214 1 186 . 1 . 1 18 18 ILE HD13 H 1 0.760 0.021 . 1 . . . . . 17 ILE HD13 . 53214 1 187 . 1 . 1 18 18 ILE CA C 13 60.121 0.000 . 1 . . . . . 17 ILE CA . 53214 1 188 . 1 . 1 18 18 ILE CB C 13 36.317 0.000 . 1 . . . . . 17 ILE CB . 53214 1 189 . 1 . 1 18 18 ILE CG1 C 13 27.493 0.000 . 1 . . . . . 17 ILE CG1 . 53214 1 190 . 1 . 1 18 18 ILE CG2 C 13 17.047 0.000 . 1 . . . . . 17 ILE CG2 . 53214 1 191 . 1 . 1 18 18 ILE CD1 C 13 13.427 0.000 . 1 . . . . . 17 ILE CD1 . 53214 1 192 . 1 . 1 18 18 ILE N N 15 127.770 0.000 . 1 . . . . . 17 ILE N . 53214 1 193 . 1 . 1 19 19 CYS H H 1 8.755 0.009 . 1 . . . . . 18 CYS H . 53214 1 194 . 1 . 1 19 19 CYS HA H 1 4.483 0.021 . 1 . . . . . 18 CYS HA . 53214 1 195 . 1 . 1 19 19 CYS HB2 H 1 3.097 0.008 . 2 . . . . . 18 CYS HB2 . 53214 1 196 . 1 . 1 19 19 CYS HB3 H 1 3.096 0.008 . 2 . . . . . 18 CYS HB3 . 53214 1 197 . 1 . 1 19 19 CYS CA C 13 58.346 0.000 . 1 . . . . . 18 CYS CA . 53214 1 198 . 1 . 1 19 19 CYS CB C 13 25.176 0.000 . 1 . . . . . 18 CYS CB . 53214 1 199 . 1 . 1 19 19 CYS N N 15 128.017 0.000 . 1 . . . . . 18 CYS N . 53214 1 200 . 1 . 1 20 20 PRO HA H 1 4.444 0.016 . 1 . . . . . 19 PRO HA . 53214 1 201 . 1 . 1 20 20 PRO HB2 H 1 1.964 0.000 . 2 . . . . . 19 PRO HB2 . 53214 1 202 . 1 . 1 20 20 PRO HB3 H 1 1.964 0.000 . 2 . . . . . 19 PRO HB3 . 53214 1 203 . 1 . 1 20 20 PRO HG2 H 1 1.855 0.000 . 2 . . . . . 19 PRO HG2 . 53214 1 204 . 1 . 1 20 20 PRO HG3 H 1 1.757 0.000 . 2 . . . . . 19 PRO HG3 . 53214 1 205 . 1 . 1 20 20 PRO HD2 H 1 3.796 0.000 . 2 . . . . . 19 PRO HD2 . 53214 1 206 . 1 . 1 20 20 PRO HD3 H 1 3.641 0.000 . 2 . . . . . 19 PRO HD3 . 53214 1 207 . 1 . 1 20 20 PRO CA C 13 64.222 0.000 . 1 . . . . . 19 PRO CA . 53214 1 208 . 1 . 1 20 20 PRO CD C 13 50.550 0.018 . 1 . . . . . 19 PRO CD . 53214 1 209 . 1 . 1 21 21 LEU H H 1 9.209 0.003 . 1 . . . . . 20 LEU H . 53214 1 210 . 1 . 1 21 21 LEU HA H 1 4.532 0.011 . 1 . . . . . 20 LEU HA . 53214 1 211 . 1 . 1 21 21 LEU HB2 H 1 2.028 0.009 . 2 . . . . . 20 LEU HB2 . 53214 1 212 . 1 . 1 21 21 LEU HB3 H 1 4.025 0.002 . 2 . . . . . 20 LEU HB3 . 53214 1 213 . 1 . 1 21 21 LEU HG H 1 1.624 0.002 . 1 . . . . . 20 LEU HG . 53214 1 214 . 1 . 1 21 21 LEU HD11 H 1 0.776 0.029 . 2 . . . . . 20 LEU HD11 . 53214 1 215 . 1 . 1 21 21 LEU HD12 H 1 0.776 0.029 . 2 . . . . . 20 LEU HD12 . 53214 1 216 . 1 . 1 21 21 LEU HD13 H 1 0.776 0.029 . 2 . . . . . 20 LEU HD13 . 53214 1 217 . 1 . 1 21 21 LEU HD21 H 1 1.080 0.013 . 2 . . . . . 20 LEU HD21 . 53214 1 218 . 1 . 1 21 21 LEU HD22 H 1 1.080 0.013 . 2 . . . . . 20 LEU HD22 . 53214 1 219 . 1 . 1 21 21 LEU HD23 H 1 1.080 0.013 . 2 . . . . . 20 LEU HD23 . 53214 1 220 . 1 . 1 21 21 LEU CA C 13 56.938 0.000 . 1 . . . . . 20 LEU CA . 53214 1 221 . 1 . 1 21 21 LEU CB C 13 41.916 0.000 . 1 . . . . . 20 LEU CB . 53214 1 222 . 1 . 1 21 21 LEU CG C 13 29.024 0.000 . 1 . . . . . 20 LEU CG . 53214 1 223 . 1 . 1 21 21 LEU CD1 C 13 25.759 0.000 . 2 . . . . . 20 LEU CD1 . 53214 1 224 . 1 . 1 21 21 LEU CD2 C 13 25.759 0.000 . 2 . . . . . 20 LEU CD2 . 53214 1 225 . 1 . 1 22 22 CYS H H 1 9.125 0.019 . 1 . . . . . 21 CYS H . 53214 1 226 . 1 . 1 22 22 CYS HA H 1 4.773 0.011 . 1 . . . . . 21 CYS HA . 53214 1 227 . 1 . 1 22 22 CYS HB2 H 1 3.402 0.004 . 2 . . . . . 21 CYS HB2 . 53214 1 228 . 1 . 1 22 22 CYS HB3 H 1 3.041 0.009 . 2 . . . . . 21 CYS HB3 . 53214 1 229 . 1 . 1 22 22 CYS CA C 13 59.055 0.000 . 1 . . . . . 21 CYS CA . 53214 1 230 . 1 . 1 22 22 CYS N N 15 122.897 0.000 . 1 . . . . . 21 CYS N . 53214 1 231 . 1 . 1 23 23 LYS H H 1 8.651 0.004 . 1 . . . . . 22 LYS H . 53214 1 232 . 1 . 1 23 23 LYS HA H 1 3.693 0.017 . 1 . . . . . 22 LYS HA . 53214 1 233 . 1 . 1 23 23 LYS HB2 H 1 1.620 0.018 . 2 . . . . . 22 LYS HB2 . 53214 1 234 . 1 . 1 23 23 LYS HB3 H 1 1.536 0.008 . 2 . . . . . 22 LYS HB3 . 53214 1 235 . 1 . 1 23 23 LYS HG2 H 1 1.420 0.004 . 2 . . . . . 22 LYS HG2 . 53214 1 236 . 1 . 1 23 23 LYS HG3 H 1 1.420 0.004 . 2 . . . . . 22 LYS HG3 . 53214 1 237 . 1 . 1 23 23 LYS CA C 13 59.051 0.000 . 1 . . . . . 22 LYS CA . 53214 1 238 . 1 . 1 23 23 LYS N N 15 120.769 0.000 . 1 . . . . . 22 LYS N . 53214 1 239 . 1 . 1 24 24 ALA H H 1 8.463 0.008 . 1 . . . . . 23 ALA H . 53214 1 240 . 1 . 1 24 24 ALA HA H 1 4.226 0.013 . 1 . . . . . 23 ALA HA . 53214 1 241 . 1 . 1 24 24 ALA HB1 H 1 1.344 0.026 . 1 . . . . . 23 ALA HB1 . 53214 1 242 . 1 . 1 24 24 ALA HB2 H 1 1.344 0.026 . 1 . . . . . 23 ALA HB2 . 53214 1 243 . 1 . 1 24 24 ALA HB3 H 1 1.344 0.026 . 1 . . . . . 23 ALA HB3 . 53214 1 244 . 1 . 1 24 24 ALA CA C 13 53.363 0.000 . 1 . . . . . 23 ALA CA . 53214 1 245 . 1 . 1 24 24 ALA CB C 13 20.263 0.000 . 1 . . . . . 23 ALA CB . 53214 1 246 . 1 . 1 24 24 ALA N N 15 123.163 0.000 . 1 . . . . . 23 ALA N . 53214 1 247 . 1 . 1 25 25 LYS H H 1 8.465 0.011 . 1 . . . . . 24 LYS H . 53214 1 248 . 1 . 1 25 25 LYS HA H 1 4.613 0.006 . 1 . . . . . 24 LYS HA . 53214 1 249 . 1 . 1 25 25 LYS HB2 H 1 1.773 0.028 . 2 . . . . . 24 LYS HB2 . 53214 1 250 . 1 . 1 25 25 LYS HB3 H 1 1.683 0.018 . 2 . . . . . 24 LYS HB3 . 53214 1 251 . 1 . 1 25 25 LYS HG2 H 1 1.613 0.000 . 2 . . . . . 24 LYS HG2 . 53214 1 252 . 1 . 1 25 25 LYS HG3 H 1 1.636 0.023 . 2 . . . . . 24 LYS HG3 . 53214 1 253 . 1 . 1 25 25 LYS HD2 H 1 1.530 0.000 . 2 . . . . . 24 LYS HD2 . 53214 1 254 . 1 . 1 25 25 LYS HD3 H 1 1.416 0.012 . 2 . . . . . 24 LYS HD3 . 53214 1 255 . 1 . 1 25 25 LYS HE2 H 1 2.937 0.019 . 2 . . . . . 24 LYS HE2 . 53214 1 256 . 1 . 1 25 25 LYS HE3 H 1 2.797 0.023 . 2 . . . . . 24 LYS HE3 . 53214 1 257 . 1 . 1 25 25 LYS CA C 13 59.652 0.000 . 1 . . . . . 24 LYS CA . 53214 1 258 . 1 . 1 25 25 LYS CB C 13 33.112 0.021 . 1 . . . . . 24 LYS CB . 53214 1 259 . 1 . 1 25 25 LYS CD C 13 29.120 0.000 . 1 . . . . . 24 LYS CD . 53214 1 260 . 1 . 1 25 25 LYS CE C 13 41.975 0.000 . 1 . . . . . 24 LYS CE . 53214 1 261 . 1 . 1 25 25 LYS N N 15 120.982 0.000 . 1 . . . . . 24 LYS N . 53214 1 262 . 1 . 1 26 26 SER H H 1 8.370 0.010 . 1 . . . . . 25 SER H . 53214 1 263 . 1 . 1 26 26 SER HA H 1 4.309 0.015 . 1 . . . . . 25 SER HA . 53214 1 264 . 1 . 1 26 26 SER HB2 H 1 4.050 0.015 . 2 . . . . . 25 SER HB2 . 53214 1 265 . 1 . 1 26 26 SER HB3 H 1 3.603 0.000 . 2 . . . . . 25 SER HB3 . 53214 1 266 . 1 . 1 26 26 SER CA C 13 57.319 0.000 . 1 . . . . . 25 SER CA . 53214 1 267 . 1 . 1 26 26 SER CB C 13 63.256 0.023 . 1 . . . . . 25 SER CB . 53214 1 268 . 1 . 1 26 26 SER N N 15 116.909 0.000 . 1 . . . . . 25 SER N . 53214 1 269 . 1 . 1 27 27 ARG H H 1 8.973 0.007 . 1 . . . . . 26 ARG H . 53214 1 270 . 1 . 1 27 27 ARG HA H 1 4.309 0.006 . 1 . . . . . 26 ARG HA . 53214 1 271 . 1 . 1 27 27 ARG HB2 H 1 1.800 0.011 . 2 . . . . . 26 ARG HB2 . 53214 1 272 . 1 . 1 27 27 ARG HB3 H 1 1.800 0.011 . 2 . . . . . 26 ARG HB3 . 53214 1 273 . 1 . 1 27 27 ARG HG2 H 1 1.552 0.005 . 2 . . . . . 26 ARG HG2 . 53214 1 274 . 1 . 1 27 27 ARG HG3 H 1 1.468 0.004 . 2 . . . . . 26 ARG HG3 . 53214 1 275 . 1 . 1 27 27 ARG HD2 H 1 3.206 0.000 . 2 . . . . . 26 ARG HD2 . 53214 1 276 . 1 . 1 27 27 ARG HD3 H 1 3.206 0.000 . 2 . . . . . 26 ARG HD3 . 53214 1 277 . 1 . 1 27 27 ARG CA C 13 56.335 0.000 . 1 . . . . . 26 ARG CA . 53214 1 278 . 1 . 1 27 27 ARG CB C 13 30.848 0.000 . 1 . . . . . 26 ARG CB . 53214 1 279 . 1 . 1 27 27 ARG CG C 13 27.312 0.034 . 1 . . . . . 26 ARG CG . 53214 1 280 . 1 . 1 27 27 ARG CD C 13 43.270 0.000 . 1 . . . . . 26 ARG CD . 53214 1 281 . 1 . 1 27 27 ARG N N 15 123.447 0.000 . 1 . . . . . 26 ARG N . 53214 1 282 . 1 . 1 28 28 SER H H 1 8.132 0.002 . 1 . . . . . 27 SER H . 53214 1 283 . 1 . 1 28 28 SER HA H 1 4.404 0.008 . 1 . . . . . 27 SER HA . 53214 1 284 . 1 . 1 28 28 SER HB2 H 1 3.772 0.002 . 2 . . . . . 27 SER HB2 . 53214 1 285 . 1 . 1 28 28 SER HB3 H 1 3.748 0.031 . 2 . . . . . 27 SER HB3 . 53214 1 286 . 1 . 1 28 28 SER CA C 13 58.281 0.000 . 1 . . . . . 27 SER CA . 53214 1 287 . 1 . 1 28 28 SER CB C 13 63.743 0.103 . 1 . . . . . 27 SER CB . 53214 1 288 . 1 . 1 28 28 SER N N 15 117.503 0.000 . 1 . . . . . 27 SER N . 53214 1 stop_ save_