################################### # 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 52993 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'chemical shift assignments' _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 '1D 1H' . . . 52993 1 2 '2D 1H-15N HSQC' . . . 52993 1 3 '2D 1H-13C HSQC aliphatic' . . . 52993 1 4 '2D 1H-13C HSQC aromatic' . . . 52993 1 5 '2D 1H-1H TOCSY' . . . 52993 1 6 '2D 1H-1H COSY' . . . 52993 1 7 '2D 1H-1H NOESY' . . . 52993 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 . . 52993 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 SER HA H 1 3.562 0.000 . 1 . . . . . 1 SER HA . 52993 1 2 . 1 . 1 1 1 SER HB2 H 1 3.809 0.003 . 2 . . . . . 1 SER HB2 . 52993 1 3 . 1 . 1 1 1 SER HB3 H 1 3.809 0.003 . 2 . . . . . 1 SER HB3 . 52993 1 4 . 1 . 1 1 1 SER CA C 13 57.312 0.000 . 1 . . . . . 1 SER CA . 52993 1 5 . 1 . 1 1 1 SER CB C 13 62.473 0.000 . 1 . . . . . 1 SER CB . 52993 1 6 . 1 . 1 2 2 TRP H H 1 8.854 0.001 . 1 . . . . . 2 TRP H . 52993 1 7 . 1 . 1 2 2 TRP HA H 1 5.173 0.004 . 1 . . . . . 2 TRP HA . 52993 1 8 . 1 . 1 2 2 TRP HB2 H 1 3.008 0.003 . 2 . . . . . 2 TRP HB2 . 52993 1 9 . 1 . 1 2 2 TRP HB3 H 1 2.986 0.004 . 2 . . . . . 2 TRP HB3 . 52993 1 10 . 1 . 1 2 2 TRP HD1 H 1 7.380 0.003 . 1 . . . . . 2 TRP HD1 . 52993 1 11 . 1 . 1 2 2 TRP HE1 H 1 10.264 0.001 . 1 . . . . . 2 TRP HE1 . 52993 1 12 . 1 . 1 2 2 TRP HE3 H 1 7.368 0.001 . 1 . . . . . 2 TRP HE3 . 52993 1 13 . 1 . 1 2 2 TRP HZ2 H 1 7.417 0.002 . 1 . . . . . 2 TRP HZ2 . 52993 1 14 . 1 . 1 2 2 TRP HZ3 H 1 7.197 0.001 . 1 . . . . . 2 TRP HZ3 . 52993 1 15 . 1 . 1 2 2 TRP HH2 H 1 7.278 0.003 . 1 . . . . . 2 TRP HH2 . 52993 1 16 . 1 . 1 2 2 TRP CA C 13 57.230 0.000 . 1 . . . . . 2 TRP CA . 52993 1 17 . 1 . 1 2 2 TRP CB C 13 31.145 0.003 . 1 . . . . . 2 TRP CB . 52993 1 18 . 1 . 1 2 2 TRP CD1 C 13 127.714 0.000 . 1 . . . . . 2 TRP CD1 . 52993 1 19 . 1 . 1 2 2 TRP CE3 C 13 120.211 0.000 . 1 . . . . . 2 TRP CE3 . 52993 1 20 . 1 . 1 2 2 TRP CZ2 C 13 115.086 0.000 . 1 . . . . . 2 TRP CZ2 . 52993 1 21 . 1 . 1 2 2 TRP CZ3 C 13 122.613 0.000 . 1 . . . . . 2 TRP CZ3 . 52993 1 22 . 1 . 1 2 2 TRP CH2 C 13 124.810 0.000 . 1 . . . . . 2 TRP CH2 . 52993 1 23 . 1 . 1 2 2 TRP N N 15 123.118 0.000 . 1 . . . . . 2 TRP N . 52993 1 24 . 1 . 1 2 2 TRP NE1 N 15 129.820 0.000 . 1 . . . . . 2 TRP NE1 . 52993 1 25 . 1 . 1 3 3 THR H H 1 9.449 0.003 . 1 . . . . . 3 THR H . 52993 1 26 . 1 . 1 3 3 THR HA H 1 4.866 0.002 . 1 . . . . . 3 THR HA . 52993 1 27 . 1 . 1 3 3 THR HB H 1 4.000 0.005 . 1 . . . . . 3 THR HB . 52993 1 28 . 1 . 1 3 3 THR HG21 H 1 1.113 0.002 . 1 . . . . . 3 THR HG2 . 52993 1 29 . 1 . 1 3 3 THR HG22 H 1 1.113 0.002 . 1 . . . . . 3 THR HG2 . 52993 1 30 . 1 . 1 3 3 THR HG23 H 1 1.113 0.002 . 1 . . . . . 3 THR HG2 . 52993 1 31 . 1 . 1 3 3 THR CB C 13 71.546 0.000 . 1 . . . . . 3 THR CB . 52993 1 32 . 1 . 1 3 3 THR CG2 C 13 20.947 0.000 . 1 . . . . . 3 THR CG2 . 52993 1 33 . 1 . 1 3 3 THR N N 15 118.509 0.000 . 1 . . . . . 3 THR N . 52993 1 34 . 1 . 1 4 4 TRP H H 1 8.779 0.002 . 1 . . . . . 4 TRP H . 52993 1 35 . 1 . 1 4 4 TRP HA H 1 4.653 0.001 . 1 . . . . . 4 TRP HA . 52993 1 36 . 1 . 1 4 4 TRP HB2 H 1 2.951 0.001 . 2 . . . . . 4 TRP HB2 . 52993 1 37 . 1 . 1 4 4 TRP HB3 H 1 2.129 0.001 . 2 . . . . . 4 TRP HB3 . 52993 1 38 . 1 . 1 4 4 TRP HD1 H 1 6.849 0.002 . 1 . . . . . 4 TRP HD1 . 52993 1 39 . 1 . 1 4 4 TRP HE1 H 1 9.879 0.001 . 1 . . . . . 4 TRP HE1 . 52993 1 40 . 1 . 1 4 4 TRP HE3 H 1 5.825 0.004 . 1 . . . . . 4 TRP HE3 . 52993 1 41 . 1 . 1 4 4 TRP HZ2 H 1 7.215 0.002 . 1 . . . . . 4 TRP HZ2 . 52993 1 42 . 1 . 1 4 4 TRP HZ3 H 1 6.590 0.002 . 1 . . . . . 4 TRP HZ3 . 52993 1 43 . 1 . 1 4 4 TRP HH2 H 1 6.966 0.002 . 1 . . . . . 4 TRP HH2 . 52993 1 44 . 1 . 1 4 4 TRP CB C 13 28.858 0.000 . 1 . . . . . 4 TRP CB . 52993 1 45 . 1 . 1 4 4 TRP CD1 C 13 127.231 0.000 . 1 . . . . . 4 TRP CD1 . 52993 1 46 . 1 . 1 4 4 TRP CE3 C 13 120.096 0.000 . 1 . . . . . 4 TRP CE3 . 52993 1 47 . 1 . 1 4 4 TRP CZ2 C 13 113.812 0.000 . 1 . . . . . 4 TRP CZ2 . 52993 1 48 . 1 . 1 4 4 TRP CZ3 C 13 121.627 0.000 . 1 . . . . . 4 TRP CZ3 . 52993 1 49 . 1 . 1 4 4 TRP CH2 C 13 124.721 0.000 . 1 . . . . . 4 TRP CH2 . 52993 1 50 . 1 . 1 4 4 TRP N N 15 128.755 0.000 . 1 . . . . . 4 TRP N . 52993 1 51 . 1 . 1 4 4 TRP NE1 N 15 128.291 0.000 . 1 . . . . . 4 TRP NE1 . 52993 1 52 . 1 . 1 5 5 GLU H H 1 8.479 0.003 . 1 . . . . . 5 GLU H . 52993 1 53 . 1 . 1 5 5 GLU HA H 1 4.385 0.004 . 1 . . . . . 5 GLU HA . 52993 1 54 . 1 . 1 5 5 GLU HB2 H 1 1.936 0.002 . 2 . . . . . 5 GLU HB2 . 52993 1 55 . 1 . 1 5 5 GLU HB3 H 1 1.788 0.002 . 2 . . . . . 5 GLU HB3 . 52993 1 56 . 1 . 1 5 5 GLU HG2 H 1 2.238 0.001 . 2 . . . . . 5 GLU HG2 . 52993 1 57 . 1 . 1 5 5 GLU HG3 H 1 2.191 0.001 . 2 . . . . . 5 GLU HG3 . 52993 1 58 . 1 . 1 5 5 GLU CA C 13 55.024 0.000 . 1 . . . . . 5 GLU CA . 52993 1 59 . 1 . 1 5 5 GLU CB C 13 31.287 0.001 . 1 . . . . . 5 GLU CB . 52993 1 60 . 1 . 1 5 5 GLU CG C 13 33.650 0.000 . 1 . . . . . 5 GLU CG . 52993 1 61 . 1 . 1 5 5 GLU N N 15 126.710 0.000 . 1 . . . . . 5 GLU N . 52993 1 62 . 1 . 1 6 6 ASN H H 1 9.105 0.001 . 1 . . . . . 6 ASN H . 52993 1 63 . 1 . 1 6 6 ASN HA H 1 4.178 0.003 . 1 . . . . . 6 ASN HA . 52993 1 64 . 1 . 1 6 6 ASN HB2 H 1 2.908 0.000 . 2 . . . . . 6 ASN HB2 . 52993 1 65 . 1 . 1 6 6 ASN HB3 H 1 2.623 0.002 . 2 . . . . . 6 ASN HB3 . 52993 1 66 . 1 . 1 6 6 ASN HD21 H 1 7.571 0.000 . 2 . . . . . 6 ASN HD21 . 52993 1 67 . 1 . 1 6 6 ASN HD22 H 1 6.877 0.001 . 2 . . . . . 6 ASN HD22 . 52993 1 68 . 1 . 1 6 6 ASN CA C 13 54.082 0.000 . 1 . . . . . 6 ASN CA . 52993 1 69 . 1 . 1 6 6 ASN CB C 13 37.522 0.003 . 1 . . . . . 6 ASN CB . 52993 1 70 . 1 . 1 6 6 ASN N N 15 122.741 0.000 . 1 . . . . . 6 ASN N . 52993 1 71 . 1 . 1 6 6 ASN ND2 N 15 113.192 0.008 . 1 . . . . . 6 ASN ND2 . 52993 1 72 . 1 . 1 7 7 GLY H H 1 7.556 0.004 . 1 . . . . . 7 GLY H . 52993 1 73 . 1 . 1 7 7 GLY HA2 H 1 3.841 0.003 . 2 . . . . . 7 GLY HA2 . 52993 1 74 . 1 . 1 7 7 GLY HA3 H 1 3.250 0.002 . 2 . . . . . 7 GLY HA3 . 52993 1 75 . 1 . 1 7 7 GLY CA C 13 45.809 0.005 . 1 . . . . . 7 GLY CA . 52993 1 76 . 1 . 1 7 7 GLY N N 15 102.000 0.000 . 1 . . . . . 7 GLY N . 52993 1 77 . 1 . 1 8 8 LYS H H 1 6.905 0.002 . 1 . . . . . 8 LYS H . 52993 1 78 . 1 . 1 8 8 LYS HA H 1 4.284 0.001 . 1 . . . . . 8 LYS HA . 52993 1 79 . 1 . 1 8 8 LYS HB2 H 1 1.712 0.007 . 2 . . . . . 8 LYS HB2 . 52993 1 80 . 1 . 1 8 8 LYS HB3 H 1 1.636 0.006 . 2 . . . . . 8 LYS HB3 . 52993 1 81 . 1 . 1 8 8 LYS HG2 H 1 1.264 0.002 . 2 . . . . . 8 LYS HG2 . 52993 1 82 . 1 . 1 8 8 LYS HG3 H 1 1.220 0.006 . 2 . . . . . 8 LYS HG3 . 52993 1 83 . 1 . 1 8 8 LYS HD2 H 1 1.636 0.009 . 2 . . . . . 8 LYS HD2 . 52993 1 84 . 1 . 1 8 8 LYS HD3 H 1 1.636 0.009 . 2 . . . . . 8 LYS HD3 . 52993 1 85 . 1 . 1 8 8 LYS HE2 H 1 3.002 0.001 . 2 . . . . . 8 LYS HE2 . 52993 1 86 . 1 . 1 8 8 LYS CA C 13 54.623 0.000 . 1 . . . . . 8 LYS CA . 52993 1 87 . 1 . 1 8 8 LYS CB C 13 35.468 0.001 . 1 . . . . . 8 LYS CB . 52993 1 88 . 1 . 1 8 8 LYS CG C 13 23.626 0.011 . 1 . . . . . 8 LYS CG . 52993 1 89 . 1 . 1 8 8 LYS CD C 13 29.171 0.000 . 1 . . . . . 8 LYS CD . 52993 1 90 . 1 . 1 8 8 LYS CE C 13 42.274 0.000 . 1 . . . . . 8 LYS CE . 52993 1 91 . 1 . 1 8 8 LYS N N 15 117.670 0.000 . 1 . . . . . 8 LYS N . 52993 1 92 . 1 . 1 9 9 TRP H H 1 8.650 0.001 . 1 . . . . . 9 TRP H . 52993 1 93 . 1 . 1 9 9 TRP HA H 1 5.088 0.001 . 1 . . . . . 9 TRP HA . 52993 1 94 . 1 . 1 9 9 TRP HB2 H 1 3.233 0.002 . 2 . . . . . 9 TRP HB2 . 52993 1 95 . 1 . 1 9 9 TRP HB3 H 1 2.901 0.002 . 2 . . . . . 9 TRP HB3 . 52993 1 96 . 1 . 1 9 9 TRP HD1 H 1 7.233 0.002 . 1 . . . . . 9 TRP HD1 . 52993 1 97 . 1 . 1 9 9 TRP HE1 H 1 9.845 0.001 . 1 . . . . . 9 TRP HE1 . 52993 1 98 . 1 . 1 9 9 TRP HE3 H 1 7.173 0.001 . 1 . . . . . 9 TRP HE3 . 52993 1 99 . 1 . 1 9 9 TRP HZ2 H 1 7.253 0.003 . 1 . . . . . 9 TRP HZ2 . 52993 1 100 . 1 . 1 9 9 TRP HZ3 H 1 7.056 0.002 . 1 . . . . . 9 TRP HZ3 . 52993 1 101 . 1 . 1 9 9 TRP HH2 H 1 7.175 0.003 . 1 . . . . . 9 TRP HH2 . 52993 1 102 . 1 . 1 9 9 TRP CA C 13 57.365 0.000 . 1 . . . . . 9 TRP CA . 52993 1 103 . 1 . 1 9 9 TRP CB C 13 29.824 0.005 . 1 . . . . . 9 TRP CB . 52993 1 104 . 1 . 1 9 9 TRP CD1 C 13 127.867 0.000 . 1 . . . . . 9 TRP CD1 . 52993 1 105 . 1 . 1 9 9 TRP CE3 C 13 120.076 0.000 . 1 . . . . . 9 TRP CE3 . 52993 1 106 . 1 . 1 9 9 TRP CZ2 C 13 115.165 0.000 . 1 . . . . . 9 TRP CZ2 . 52993 1 107 . 1 . 1 9 9 TRP CZ3 C 13 122.054 0.000 . 1 . . . . . 9 TRP CZ3 . 52993 1 108 . 1 . 1 9 9 TRP CH2 C 13 124.639 0.000 . 1 . . . . . 9 TRP CH2 . 52993 1 109 . 1 . 1 9 9 TRP N N 15 124.398 0.000 . 1 . . . . . 9 TRP N . 52993 1 110 . 1 . 1 9 9 TRP NE1 N 15 129.356 0.000 . 1 . . . . . 9 TRP NE1 . 52993 1 111 . 1 . 1 10 10 THR H H 1 9.722 0.001 . 1 . . . . . 10 THR H . 52993 1 112 . 1 . 1 10 10 THR HA H 1 4.868 0.002 . 1 . . . . . 10 THR HA . 52993 1 113 . 1 . 1 10 10 THR HB H 1 4.025 0.002 . 1 . . . . . 10 THR HB . 52993 1 114 . 1 . 1 10 10 THR HG21 H 1 1.179 0.002 . 1 . . . . . 10 THR HG2 . 52993 1 115 . 1 . 1 10 10 THR HG22 H 1 1.179 0.002 . 1 . . . . . 10 THR HG2 . 52993 1 116 . 1 . 1 10 10 THR HG23 H 1 1.179 0.002 . 1 . . . . . 10 THR HG2 . 52993 1 117 . 1 . 1 10 10 THR CB C 13 71.903 0.000 . 1 . . . . . 10 THR CB . 52993 1 118 . 1 . 1 10 10 THR CG2 C 13 20.869 0.000 . 1 . . . . . 10 THR CG2 . 52993 1 119 . 1 . 1 10 10 THR N N 15 122.020 0.000 . 1 . . . . . 10 THR N . 52993 1 120 . 1 . 1 11 11 TRP H H 1 8.959 0.001 . 1 . . . . . 11 TRP H . 52993 1 121 . 1 . 1 11 11 TRP HA H 1 4.235 0.002 . 1 . . . . . 11 TRP HA . 52993 1 122 . 1 . 1 11 11 TRP HB2 H 1 2.749 0.001 . 2 . . . . . 11 TRP HB2 . 52993 1 123 . 1 . 1 11 11 TRP HB3 H 1 2.061 0.001 . 2 . . . . . 11 TRP HB3 . 52993 1 124 . 1 . 1 11 11 TRP HD1 H 1 6.804 0.002 . 1 . . . . . 11 TRP HD1 . 52993 1 125 . 1 . 1 11 11 TRP HE1 H 1 9.996 0.001 . 1 . . . . . 11 TRP HE1 . 52993 1 126 . 1 . 1 11 11 TRP HE3 H 1 5.349 0.003 . 1 . . . . . 11 TRP HE3 . 52993 1 127 . 1 . 1 11 11 TRP HZ2 H 1 7.385 0.002 . 1 . . . . . 11 TRP HZ2 . 52993 1 128 . 1 . 1 11 11 TRP HZ3 H 1 6.578 0.003 . 1 . . . . . 11 TRP HZ3 . 52993 1 129 . 1 . 1 11 11 TRP HH2 H 1 7.094 0.002 . 1 . . . . . 11 TRP HH2 . 52993 1 130 . 1 . 1 11 11 TRP CA C 13 57.017 0.000 . 1 . . . . . 11 TRP CA . 52993 1 131 . 1 . 1 11 11 TRP CB C 13 28.640 0.005 . 1 . . . . . 11 TRP CB . 52993 1 132 . 1 . 1 11 11 TRP CD1 C 13 127.821 0.000 . 1 . . . . . 11 TRP CD1 . 52993 1 133 . 1 . 1 11 11 TRP CE3 C 13 120.835 0.000 . 1 . . . . . 11 TRP CE3 . 52993 1 134 . 1 . 1 11 11 TRP CZ2 C 13 114.714 0.000 . 1 . . . . . 11 TRP CZ2 . 52993 1 135 . 1 . 1 11 11 TRP CZ3 C 13 120.489 0.000 . 1 . . . . . 11 TRP CZ3 . 52993 1 136 . 1 . 1 11 11 TRP CH2 C 13 124.011 0.000 . 1 . . . . . 11 TRP CH2 . 52993 1 137 . 1 . 1 11 11 TRP N N 15 129.087 0.000 . 1 . . . . . 11 TRP N . 52993 1 138 . 1 . 1 11 11 TRP NE1 N 15 129.918 0.000 . 1 . . . . . 11 TRP NE1 . 52993 1 139 . 1 . 1 12 12 LYS H H 1 7.599 0.001 . 1 . . . . . 12 LYS H . 52993 1 140 . 1 . 1 12 12 LYS HA H 1 4.144 0.003 . 1 . . . . . 12 LYS HA . 52993 1 141 . 1 . 1 12 12 LYS HB2 H 1 1.469 0.002 . 2 . . . . . 12 LYS HB2 . 52993 1 142 . 1 . 1 12 12 LYS HB3 H 1 1.348 0.003 . 2 . . . . . 12 LYS HB3 . 52993 1 143 . 1 . 1 12 12 LYS HG2 H 1 1.207 0.012 . 2 . . . . . 12 LYS HG2 . 52993 1 144 . 1 . 1 12 12 LYS HG3 H 1 1.118 0.000 . 2 . . . . . 12 LYS HG3 . 52993 1 145 . 1 . 1 12 12 LYS HD2 H 1 1.508 0.000 . 2 . . . . . 12 LYS HD2 . 52993 1 146 . 1 . 1 12 12 LYS HE2 H 1 2.825 0.001 . 2 . . . . . 12 LYS HE2 . 52993 1 147 . 1 . 1 12 12 LYS CA C 13 54.282 0.000 . 1 . . . . . 12 LYS CA . 52993 1 148 . 1 . 1 12 12 LYS CB C 13 33.636 0.001 . 1 . . . . . 12 LYS CB . 52993 1 149 . 1 . 1 12 12 LYS CG C 13 24.447 0.022 . 1 . . . . . 12 LYS CG . 52993 1 150 . 1 . 1 12 12 LYS CD C 13 28.826 0.000 . 1 . . . . . 12 LYS CD . 52993 1 151 . 1 . 1 12 12 LYS CE C 13 42.021 0.000 . 1 . . . . . 12 LYS CE . 52993 1 152 . 1 . 1 12 12 LYS N N 15 128.572 0.000 . 1 . . . . . 12 LYS N . 52993 1 153 . 1 . 1 13 13 NH2 HN1 H 1 7.348 0.000 . 2 . . . . . 13 NH2 H1 . 52993 1 154 . 1 . 1 13 13 NH2 HN2 H 1 6.660 0.001 . 2 . . . . . 13 NH2 H2 . 52993 1 155 . 1 . 1 13 13 NH2 N N 15 109.789 0.005 . 1 . . . . . 13 NH2 N . 52993 1 stop_ save_