################################### # 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 51388 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CB1_dpc _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-1H TOCSY' . . . 51388 1 3 '2D 1H-1H NOESY' . . . 51388 1 4 '2D 1H-13C HSQC aliphatic' . . . 51388 1 5 '2D 1H-13C HSQC aromatic' . . . 51388 1 6 '2D DQF-COSY' . . . 51388 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 2 $software_2 . . 51388 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 4.298 0.003 . 1 . . . . . 1 SER HA . 51388 1 2 . 1 . 1 1 1 SER HB2 H 1 4.109 0.002 . 2 . . . . . 1 SER HB2 . 51388 1 3 . 1 . 1 1 1 SER HB3 H 1 4.199 0.006 . 2 . . . . . 1 SER HB3 . 51388 1 4 . 1 . 1 1 1 SER CA C 13 56.134 0.000 . 1 . . . . . 1 SER CA . 51388 1 5 . 1 . 1 1 1 SER CB C 13 63.731 0.002 . 1 . . . . . 1 SER CB . 51388 1 6 . 1 . 1 2 2 VAL HA H 1 4.146 0.001 . 1 . . . . . 2 VAL HA . 51388 1 7 . 1 . 1 2 2 VAL HB H 1 2.186 0.001 . 1 . . . . . 2 VAL HB . 51388 1 8 . 1 . 1 2 2 VAL HG11 H 1 1.034 0.003 . 2 . . . . . 2 VAL QG1 . 51388 1 9 . 1 . 1 2 2 VAL HG12 H 1 1.034 0.003 . 2 . . . . . 2 VAL QG1 . 51388 1 10 . 1 . 1 2 2 VAL HG13 H 1 1.034 0.003 . 2 . . . . . 2 VAL QG1 . 51388 1 11 . 1 . 1 2 2 VAL HG21 H 1 1.059 0.002 . 2 . . . . . 2 VAL QG2 . 51388 1 12 . 1 . 1 2 2 VAL HG22 H 1 1.059 0.002 . 2 . . . . . 2 VAL QG2 . 51388 1 13 . 1 . 1 2 2 VAL HG23 H 1 1.059 0.002 . 2 . . . . . 2 VAL QG2 . 51388 1 14 . 1 . 1 2 2 VAL CA C 13 64.018 0.000 . 1 . . . . . 2 VAL CA . 51388 1 15 . 1 . 1 2 2 VAL CB C 13 32.416 0.000 . 1 . . . . . 2 VAL CB . 51388 1 16 . 1 . 1 2 2 VAL CG1 C 13 20.786 0.000 . 1 . . . . . 2 VAL CG1 . 51388 1 17 . 1 . 1 2 2 VAL CG2 C 13 20.572 0.000 . 1 . . . . . 2 VAL CG2 . 51388 1 18 . 1 . 1 3 3 LYS H H 1 8.259 0.001 . 1 . . . . . 3 LYS H . 51388 1 19 . 1 . 1 3 3 LYS HA H 1 4.225 0.004 . 1 . . . . . 3 LYS HA . 51388 1 20 . 1 . 1 3 3 LYS HB2 H 1 1.859 0.004 . 2 . . . . . 3 LYS HB2 . 51388 1 21 . 1 . 1 3 3 LYS HB3 H 1 1.859 0.004 . 2 . . . . . 3 LYS HB3 . 51388 1 22 . 1 . 1 3 3 LYS HG2 H 1 1.464 0.003 . 2 . . . . . 3 LYS HG2 . 51388 1 23 . 1 . 1 3 3 LYS HG3 H 1 1.525 0.001 . 2 . . . . . 3 LYS HG3 . 51388 1 24 . 1 . 1 3 3 LYS HD2 H 1 1.737 0.001 . 2 . . . . . 3 LYS HD2 . 51388 1 25 . 1 . 1 3 3 LYS HD3 H 1 1.737 0.001 . 2 . . . . . 3 LYS HD3 . 51388 1 26 . 1 . 1 3 3 LYS HE2 H 1 3.025 0.003 . 2 . . . . . 3 LYS HE2 . 51388 1 27 . 1 . 1 3 3 LYS HE3 H 1 3.025 0.003 . 2 . . . . . 3 LYS HE3 . 51388 1 28 . 1 . 1 3 3 LYS CA C 13 57.995 0.000 . 1 . . . . . 3 LYS CA . 51388 1 29 . 1 . 1 3 3 LYS CB C 13 32.695 0.000 . 1 . . . . . 3 LYS CB . 51388 1 30 . 1 . 1 3 3 LYS CG C 13 25.001 0.014 . 1 . . . . . 3 LYS CG . 51388 1 31 . 1 . 1 3 3 LYS CD C 13 29.207 0.000 . 1 . . . . . 3 LYS CD . 51388 1 32 . 1 . 1 3 3 LYS CE C 13 42.125 0.000 . 1 . . . . . 3 LYS CE . 51388 1 33 . 1 . 1 4 4 GLU H H 1 8.179 0.001 . 1 . . . . . 4 GLU H . 51388 1 34 . 1 . 1 4 4 GLU HA H 1 4.228 0.002 . 1 . . . . . 4 GLU HA . 51388 1 35 . 1 . 1 4 4 GLU HB2 H 1 2.118 0.004 . 2 . . . . . 4 GLU HB2 . 51388 1 36 . 1 . 1 4 4 GLU HB3 H 1 2.118 0.004 . 2 . . . . . 4 GLU HB3 . 51388 1 37 . 1 . 1 4 4 GLU HG2 H 1 2.366 0.003 . 2 . . . . . 4 GLU HG2 . 51388 1 38 . 1 . 1 4 4 GLU HG3 H 1 2.366 0.003 . 2 . . . . . 4 GLU HG3 . 51388 1 39 . 1 . 1 4 4 GLU CA C 13 58.523 0.000 . 1 . . . . . 4 GLU CA . 51388 1 40 . 1 . 1 4 4 GLU CB C 13 29.751 0.000 . 1 . . . . . 4 GLU CB . 51388 1 41 . 1 . 1 4 4 GLU CG C 13 36.511 0.000 . 1 . . . . . 4 GLU CG . 51388 1 42 . 1 . 1 5 5 GLY H H 1 8.309 0.001 . 1 . . . . . 5 GLY H . 51388 1 43 . 1 . 1 5 5 GLY HA2 H 1 3.947 0.003 . 2 . . . . . 5 GLY HA2 . 51388 1 44 . 1 . 1 5 5 GLY HA3 H 1 4.014 0.003 . 2 . . . . . 5 GLY HA3 . 51388 1 45 . 1 . 1 5 5 GLY CA C 13 46.517 0.001 . 1 . . . . . 5 GLY CA . 51388 1 46 . 1 . 1 6 6 ALA H H 1 8.218 0.001 . 1 . . . . . 6 ALA H . 51388 1 47 . 1 . 1 6 6 ALA HA H 1 4.199 0.002 . 1 . . . . . 6 ALA HA . 51388 1 48 . 1 . 1 6 6 ALA HB1 H 1 1.496 0.003 . 1 . . . . . 6 ALA HB# . 51388 1 49 . 1 . 1 6 6 ALA HB2 H 1 1.496 0.003 . 1 . . . . . 6 ALA HB# . 51388 1 50 . 1 . 1 6 6 ALA HB3 H 1 1.496 0.003 . 1 . . . . . 6 ALA HB# . 51388 1 51 . 1 . 1 6 6 ALA CA C 13 54.690 0.000 . 1 . . . . . 6 ALA CA . 51388 1 52 . 1 . 1 6 6 ALA CB C 13 18.187 0.000 . 1 . . . . . 6 ALA CB . 51388 1 53 . 1 . 1 7 7 GLN H H 1 8.270 0.002 . 1 . . . . . 7 GLN H . 51388 1 54 . 1 . 1 7 7 GLN HA H 1 4.193 0.002 . 1 . . . . . 7 GLN HA . 51388 1 55 . 1 . 1 7 7 GLN HB2 H 1 2.233 0.004 . 2 . . . . . 7 GLN HB2 . 51388 1 56 . 1 . 1 7 7 GLN HB3 H 1 2.233 0.004 . 2 . . . . . 7 GLN HB3 . 51388 1 57 . 1 . 1 7 7 GLN HG2 H 1 2.471 0.003 . 2 . . . . . 7 GLN HG2 . 51388 1 58 . 1 . 1 7 7 GLN HG3 H 1 2.556 0.004 . 2 . . . . . 7 GLN HG3 . 51388 1 59 . 1 . 1 7 7 GLN HE21 H 1 6.777 0.000 . 2 . . . . . 7 GLN HE21 . 51388 1 60 . 1 . 1 7 7 GLN HE22 H 1 7.294 0.001 . 2 . . . . . 7 GLN HE22 . 51388 1 61 . 1 . 1 7 7 GLN CA C 13 58.841 0.000 . 1 . . . . . 7 GLN CA . 51388 1 62 . 1 . 1 7 7 GLN CB C 13 28.446 0.000 . 1 . . . . . 7 GLN CB . 51388 1 63 . 1 . 1 7 7 GLN CG C 13 34.132 0.003 . 1 . . . . . 7 GLN CG . 51388 1 64 . 1 . 1 8 8 ARG H H 1 8.082 0.002 . 1 . . . . . 8 ARG H . 51388 1 65 . 1 . 1 8 8 ARG HA H 1 4.177 0.002 . 1 . . . . . 8 ARG HA . 51388 1 66 . 1 . 1 8 8 ARG HB2 H 1 1.950 0.003 . 2 . . . . . 8 ARG HB2 . 51388 1 67 . 1 . 1 8 8 ARG HB3 H 1 1.950 0.003 . 2 . . . . . 8 ARG HB3 . 51388 1 68 . 1 . 1 8 8 ARG HG2 H 1 1.733 0.002 . 2 . . . . . 8 ARG HG2 . 51388 1 69 . 1 . 1 8 8 ARG HG3 H 1 1.849 0.004 . 2 . . . . . 8 ARG HG3 . 51388 1 70 . 1 . 1 8 8 ARG HD2 H 1 3.245 0.003 . 2 . . . . . 8 ARG HD2 . 51388 1 71 . 1 . 1 8 8 ARG HD3 H 1 3.245 0.003 . 2 . . . . . 8 ARG HD3 . 51388 1 72 . 1 . 1 8 8 ARG HE H 1 7.372 0.003 . 1 . . . . . 8 ARG HE . 51388 1 73 . 1 . 1 8 8 ARG CA C 13 58.832 0.000 . 1 . . . . . 8 ARG CA . 51388 1 74 . 1 . 1 8 8 ARG CB C 13 29.984 0.000 . 1 . . . . . 8 ARG CB . 51388 1 75 . 1 . 1 8 8 ARG CG C 13 27.639 0.003 . 1 . . . . . 8 ARG CG . 51388 1 76 . 1 . 1 8 8 ARG CD C 13 43.252 0.000 . 1 . . . . . 8 ARG CD . 51388 1 77 . 1 . 1 9 9 LYS H H 1 7.940 0.001 . 1 . . . . . 9 LYS H . 51388 1 78 . 1 . 1 9 9 LYS HA H 1 4.104 0.002 . 1 . . . . . 9 LYS HA . 51388 1 79 . 1 . 1 9 9 LYS HB2 H 1 1.890 0.003 . 2 . . . . . 9 LYS HB2 . 51388 1 80 . 1 . 1 9 9 LYS HB3 H 1 1.890 0.003 . 2 . . . . . 9 LYS HB3 . 51388 1 81 . 1 . 1 9 9 LYS HG2 H 1 1.335 0.003 . 2 . . . . . 9 LYS HG2 . 51388 1 82 . 1 . 1 9 9 LYS HG3 H 1 1.485 0.003 . 2 . . . . . 9 LYS HG3 . 51388 1 83 . 1 . 1 9 9 LYS HD2 H 1 1.648 0.001 . 2 . . . . . 9 LYS HD2 . 51388 1 84 . 1 . 1 9 9 LYS HD3 H 1 1.648 0.001 . 2 . . . . . 9 LYS HD3 . 51388 1 85 . 1 . 1 9 9 LYS HE2 H 1 2.892 0.004 . 2 . . . . . 9 LYS HE2 . 51388 1 86 . 1 . 1 9 9 LYS HE3 H 1 2.892 0.004 . 2 . . . . . 9 LYS HE3 . 51388 1 87 . 1 . 1 9 9 LYS CA C 13 59.312 0.000 . 1 . . . . . 9 LYS CA . 51388 1 88 . 1 . 1 9 9 LYS CB C 13 32.159 0.000 . 1 . . . . . 9 LYS CB . 51388 1 89 . 1 . 1 9 9 LYS CG C 13 25.019 0.009 . 1 . . . . . 9 LYS CG . 51388 1 90 . 1 . 1 9 9 LYS CD C 13 29.286 0.000 . 1 . . . . . 9 LYS CD . 51388 1 91 . 1 . 1 9 9 LYS CE C 13 42.060 0.000 . 1 . . . . . 9 LYS CE . 51388 1 92 . 1 . 1 10 10 TRP H H 1 8.129 0.002 . 1 . . . . . 10 TRP H . 51388 1 93 . 1 . 1 10 10 TRP HA H 1 4.550 0.001 . 1 . . . . . 10 TRP HA . 51388 1 94 . 1 . 1 10 10 TRP HB2 H 1 3.371 0.003 . 2 . . . . . 10 TRP HB2 . 51388 1 95 . 1 . 1 10 10 TRP HB3 H 1 3.433 0.004 . 2 . . . . . 10 TRP HB3 . 51388 1 96 . 1 . 1 10 10 TRP HD1 H 1 7.224 0.003 . 1 . . . . . 10 TRP HD1 . 51388 1 97 . 1 . 1 10 10 TRP HE1 H 1 9.877 0.002 . 1 . . . . . 10 TRP HE1 . 51388 1 98 . 1 . 1 10 10 TRP HE3 H 1 7.633 0.003 . 1 . . . . . 10 TRP HE3 . 51388 1 99 . 1 . 1 10 10 TRP HZ2 H 1 7.467 0.002 . 1 . . . . . 10 TRP HZ2 . 51388 1 100 . 1 . 1 10 10 TRP HZ3 H 1 7.094 0.004 . 1 . . . . . 10 TRP HZ3 . 51388 1 101 . 1 . 1 10 10 TRP HH2 H 1 7.200 0.002 . 1 . . . . . 10 TRP HH2 . 51388 1 102 . 1 . 1 10 10 TRP CA C 13 59.704 0.000 . 1 . . . . . 10 TRP CA . 51388 1 103 . 1 . 1 10 10 TRP CB C 13 29.190 0.012 . 1 . . . . . 10 TRP CB . 51388 1 104 . 1 . 1 10 10 TRP CD1 C 13 126.631 0.000 . 1 . . . . . 10 TRP CD1 . 51388 1 105 . 1 . 1 10 10 TRP CE3 C 13 120.911 0.000 . 1 . . . . . 10 TRP CE3 . 51388 1 106 . 1 . 1 10 10 TRP CZ2 C 13 114.198 0.000 . 1 . . . . . 10 TRP CZ2 . 51388 1 107 . 1 . 1 10 10 TRP CZ3 C 13 121.661 0.000 . 1 . . . . . 10 TRP CZ3 . 51388 1 108 . 1 . 1 10 10 TRP CH2 C 13 124.311 0.000 . 1 . . . . . 10 TRP CH2 . 51388 1 109 . 1 . 1 11 11 ALA H H 1 8.181 0.001 . 1 . . . . . 11 ALA H . 51388 1 110 . 1 . 1 11 11 ALA HA H 1 3.956 0.001 . 1 . . . . . 11 ALA HA . 51388 1 111 . 1 . 1 11 11 ALA HB1 H 1 1.562 0.003 . 1 . . . . . 11 ALA HB# . 51388 1 112 . 1 . 1 11 11 ALA HB2 H 1 1.562 0.003 . 1 . . . . . 11 ALA HB# . 51388 1 113 . 1 . 1 11 11 ALA HB3 H 1 1.562 0.003 . 1 . . . . . 11 ALA HB# . 51388 1 114 . 1 . 1 11 11 ALA CA C 13 55.199 0.000 . 1 . . . . . 11 ALA CA . 51388 1 115 . 1 . 1 11 11 ALA CB C 13 17.948 0.000 . 1 . . . . . 11 ALA CB . 51388 1 116 . 1 . 1 12 12 ALA H H 1 7.895 0.003 . 1 . . . . . 12 ALA H . 51388 1 117 . 1 . 1 12 12 ALA HA H 1 4.193 0.002 . 1 . . . . . 12 ALA HA . 51388 1 118 . 1 . 1 12 12 ALA HB1 H 1 1.543 0.003 . 1 . . . . . 12 ALA HB# . 51388 1 119 . 1 . 1 12 12 ALA HB2 H 1 1.543 0.003 . 1 . . . . . 12 ALA HB# . 51388 1 120 . 1 . 1 12 12 ALA HB3 H 1 1.543 0.003 . 1 . . . . . 12 ALA HB# . 51388 1 121 . 1 . 1 12 12 ALA CA C 13 54.684 0.000 . 1 . . . . . 12 ALA CA . 51388 1 122 . 1 . 1 12 12 ALA CB C 13 17.995 0.000 . 1 . . . . . 12 ALA CB . 51388 1 123 . 1 . 1 13 13 LEU H H 1 8.046 0.001 . 1 . . . . . 13 LEU H . 51388 1 124 . 1 . 1 13 13 LEU HA H 1 4.112 0.002 . 1 . . . . . 13 LEU HA . 51388 1 125 . 1 . 1 13 13 LEU HB2 H 1 1.741 0.008 . 2 . . . . . 13 LEU HB2 . 51388 1 126 . 1 . 1 13 13 LEU HB3 H 1 1.772 0.002 . 2 . . . . . 13 LEU HB3 . 51388 1 127 . 1 . 1 13 13 LEU HG H 1 1.718 0.003 . 1 . . . . . 13 LEU HG . 51388 1 128 . 1 . 1 13 13 LEU HD11 H 1 0.915 0.003 . 2 . . . . . 13 LEU QD1 . 51388 1 129 . 1 . 1 13 13 LEU HD12 H 1 0.915 0.003 . 2 . . . . . 13 LEU QD1 . 51388 1 130 . 1 . 1 13 13 LEU HD13 H 1 0.915 0.003 . 2 . . . . . 13 LEU QD1 . 51388 1 131 . 1 . 1 13 13 LEU HD21 H 1 0.899 0.004 . 2 . . . . . 13 LEU QD2 . 51388 1 132 . 1 . 1 13 13 LEU HD22 H 1 0.899 0.004 . 2 . . . . . 13 LEU QD2 . 51388 1 133 . 1 . 1 13 13 LEU HD23 H 1 0.899 0.004 . 2 . . . . . 13 LEU QD2 . 51388 1 134 . 1 . 1 13 13 LEU CA C 13 57.775 0.000 . 1 . . . . . 13 LEU CA . 51388 1 135 . 1 . 1 13 13 LEU CB C 13 41.849 0.000 . 1 . . . . . 13 LEU CB . 51388 1 136 . 1 . 1 13 13 LEU CG C 13 26.912 0.000 . 1 . . . . . 13 LEU CG . 51388 1 137 . 1 . 1 13 13 LEU CD1 C 13 23.730 0.000 . 1 . . . . . 13 LEU CD1 . 51388 1 138 . 1 . 1 13 13 LEU CD2 C 13 24.771 0.000 . 1 . . . . . 13 LEU CD2 . 51388 1 139 . 1 . 1 14 14 LYS H H 1 8.226 0.002 . 1 . . . . . 14 LYS H . 51388 1 140 . 1 . 1 14 14 LYS HA H 1 3.799 0.002 . 1 . . . . . 14 LYS HA . 51388 1 141 . 1 . 1 14 14 LYS HB2 H 1 1.619 0.005 . 2 . . . . . 14 LYS HB2 . 51388 1 142 . 1 . 1 14 14 LYS HB3 H 1 1.682 0.005 . 2 . . . . . 14 LYS HB3 . 51388 1 143 . 1 . 1 14 14 LYS HG2 H 1 1.275 0.004 . 2 . . . . . 14 LYS HG2 . 51388 1 144 . 1 . 1 14 14 LYS HG3 H 1 1.316 0.001 . 2 . . . . . 14 LYS HG3 . 51388 1 145 . 1 . 1 14 14 LYS HD2 H 1 1.541 0.000 . 2 . . . . . 14 LYS HD2 . 51388 1 146 . 1 . 1 14 14 LYS HD3 H 1 1.579 0.000 . 2 . . . . . 14 LYS HD3 . 51388 1 147 . 1 . 1 14 14 LYS HE2 H 1 2.859 0.002 . 2 . . . . . 14 LYS HE2 . 51388 1 148 . 1 . 1 14 14 LYS HE3 H 1 2.912 0.001 . 2 . . . . . 14 LYS HE3 . 51388 1 149 . 1 . 1 14 14 LYS CA C 13 59.453 0.000 . 1 . . . . . 14 LYS CA . 51388 1 150 . 1 . 1 14 14 LYS CB C 13 31.775 0.002 . 1 . . . . . 14 LYS CB . 51388 1 151 . 1 . 1 14 14 LYS CG C 13 24.608 0.003 . 1 . . . . . 14 LYS CG . 51388 1 152 . 1 . 1 14 14 LYS CD C 13 29.161 0.006 . 1 . . . . . 14 LYS CD . 51388 1 153 . 1 . 1 14 14 LYS CE C 13 42.024 0.006 . 1 . . . . . 14 LYS CE . 51388 1 154 . 1 . 1 15 15 GLU H H 1 7.838 0.002 . 1 . . . . . 15 GLU H . 51388 1 155 . 1 . 1 15 15 GLU HA H 1 4.080 0.003 . 1 . . . . . 15 GLU HA . 51388 1 156 . 1 . 1 15 15 GLU HB2 H 1 2.160 0.003 . 2 . . . . . 15 GLU HB2 . 51388 1 157 . 1 . 1 15 15 GLU HB3 H 1 2.160 0.003 . 2 . . . . . 15 GLU HB3 . 51388 1 158 . 1 . 1 15 15 GLU HG2 H 1 2.322 0.003 . 2 . . . . . 15 GLU HG2 . 51388 1 159 . 1 . 1 15 15 GLU HG3 H 1 2.428 0.004 . 2 . . . . . 15 GLU HG3 . 51388 1 160 . 1 . 1 15 15 GLU CA C 13 58.732 0.000 . 1 . . . . . 15 GLU CA . 51388 1 161 . 1 . 1 15 15 GLU CB C 13 29.462 0.000 . 1 . . . . . 15 GLU CB . 51388 1 162 . 1 . 1 15 15 GLU CG C 13 35.838 0.003 . 1 . . . . . 15 GLU CG . 51388 1 163 . 1 . 1 16 16 LYS H H 1 7.882 0.003 . 1 . . . . . 16 LYS H . 51388 1 164 . 1 . 1 16 16 LYS HA H 1 4.210 0.005 . 1 . . . . . 16 LYS HA . 51388 1 165 . 1 . 1 16 16 LYS HB2 H 1 2.012 0.002 . 2 . . . . . 16 LYS HB2 . 51388 1 166 . 1 . 1 16 16 LYS HB3 H 1 2.012 0.002 . 2 . . . . . 16 LYS HB3 . 51388 1 167 . 1 . 1 16 16 LYS HG2 H 1 1.557 0.003 . 2 . . . . . 16 LYS HG2 . 51388 1 168 . 1 . 1 16 16 LYS HG3 H 1 1.557 0.003 . 2 . . . . . 16 LYS HG3 . 51388 1 169 . 1 . 1 16 16 LYS HD2 H 1 1.716 0.002 . 2 . . . . . 16 LYS HD2 . 51388 1 170 . 1 . 1 16 16 LYS HD3 H 1 1.716 0.002 . 2 . . . . . 16 LYS HD3 . 51388 1 171 . 1 . 1 16 16 LYS HE2 H 1 3.008 0.004 . 2 . . . . . 16 LYS HE2 . 51388 1 172 . 1 . 1 16 16 LYS HE3 H 1 3.008 0.004 . 2 . . . . . 16 LYS HE3 . 51388 1 173 . 1 . 1 16 16 LYS CA C 13 58.001 0.000 . 1 . . . . . 16 LYS CA . 51388 1 174 . 1 . 1 16 16 LYS CB C 13 32.531 0.000 . 1 . . . . . 16 LYS CB . 51388 1 175 . 1 . 1 16 16 LYS CG C 13 24.705 0.000 . 1 . . . . . 16 LYS CG . 51388 1 176 . 1 . 1 16 16 LYS CD C 13 28.733 0.000 . 1 . . . . . 16 LYS CD . 51388 1 177 . 1 . 1 16 16 LYS CE C 13 42.126 0.000 . 1 . . . . . 16 LYS CE . 51388 1 178 . 1 . 1 17 17 LEU H H 1 8.256 0.001 . 1 . . . . . 17 LEU H . 51388 1 179 . 1 . 1 17 17 LEU HA H 1 4.295 0.003 . 1 . . . . . 17 LEU HA . 51388 1 180 . 1 . 1 17 17 LEU HB2 H 1 1.595 0.006 . 2 . . . . . 17 LEU HB2 . 51388 1 181 . 1 . 1 17 17 LEU HB3 H 1 1.802 0.004 . 2 . . . . . 17 LEU HB3 . 51388 1 182 . 1 . 1 17 17 LEU HG H 1 1.801 0.001 . 1 . . . . . 17 LEU HG . 51388 1 183 . 1 . 1 17 17 LEU HD11 H 1 0.886 0.004 . 2 . . . . . 17 LEU QD1 . 51388 1 184 . 1 . 1 17 17 LEU HD12 H 1 0.886 0.004 . 2 . . . . . 17 LEU QD1 . 51388 1 185 . 1 . 1 17 17 LEU HD13 H 1 0.886 0.004 . 2 . . . . . 17 LEU QD1 . 51388 1 186 . 1 . 1 17 17 LEU HD21 H 1 0.909 0.003 . 2 . . . . . 17 LEU QD2 . 51388 1 187 . 1 . 1 17 17 LEU HD22 H 1 0.909 0.003 . 2 . . . . . 17 LEU QD2 . 51388 1 188 . 1 . 1 17 17 LEU HD23 H 1 0.909 0.003 . 2 . . . . . 17 LEU QD2 . 51388 1 189 . 1 . 1 17 17 LEU CA C 13 57.306 0.000 . 1 . . . . . 17 LEU CA . 51388 1 190 . 1 . 1 17 17 LEU CB C 13 42.175 0.000 . 1 . . . . . 17 LEU CB . 51388 1 191 . 1 . 1 17 17 LEU CG C 13 26.804 0.000 . 1 . . . . . 17 LEU CG . 51388 1 192 . 1 . 1 17 17 LEU CD1 C 13 22.039 0.000 . 1 . . . . . 17 LEU CD1 . 51388 1 193 . 1 . 1 17 17 LEU CD2 C 13 23.730 0.000 . 1 . . . . . 17 LEU CD2 . 51388 1 194 . 1 . 1 18 18 GLY H H 1 7.908 0.004 . 1 . . . . . 18 GLY H . 51388 1 195 . 1 . 1 18 18 GLY HA2 H 1 3.944 0.004 . 2 . . . . . 18 GLY HA2 . 51388 1 196 . 1 . 1 18 18 GLY HA3 H 1 3.944 0.004 . 2 . . . . . 18 GLY HA3 . 51388 1 197 . 1 . 1 18 18 GLY CA C 13 45.209 0.000 . 1 . . . . . 18 GLY CA . 51388 1 198 . 1 . 1 19 19 NH2 HN1 H 1 7.056 0.001 . 2 . . . . . 19 NH2 HN1 . 51388 1 199 . 1 . 1 19 19 NH2 HN2 H 1 7.277 0.001 . 2 . . . . . 19 NH2 HN2 . 51388 1 stop_ save_