################################### # 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 50978 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name TC-KKA _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' . . . 50978 1 3 '2D DQF-COSY' . . . 50978 1 4 '2D 1H-1H NOESY' . . . 50978 1 5 '2D 1H-13C HSQC' . . . 50978 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 . . 50978 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 ASP HA H 1 4.3010 0.0000 . 1 . . . . . 1 ASP HA . 50978 1 2 . 1 . 1 1 1 ASP HB2 H 1 3.0878 0.0000 . 2 . . . . . 1 ASP HB2 . 50978 1 3 . 1 . 1 1 1 ASP HB3 H 1 2.9301 0.0000 . 2 . . . . . 1 ASP HB3 . 50978 1 4 . 1 . 1 1 1 ASP CA C 13 53.1859 0.0000 . 1 . . . . . 1 ASP CA . 50978 1 5 . 1 . 1 1 1 ASP CB C 13 40.1884 0.0000 . 1 . . . . . 1 ASP CB . 50978 1 6 . 1 . 1 2 2 LYS HA H 1 4.2412 0.0000 . 1 . . . . . 2 LYS HA . 50978 1 7 . 1 . 1 2 2 LYS HB2 H 1 1.8445 0.0000 . 2 . . . . . 2 LYS HB2 . 50978 1 8 . 1 . 1 2 2 LYS HB3 H 1 1.7897 0.0000 . 2 . . . . . 2 LYS HB3 . 50978 1 9 . 1 . 1 2 2 LYS HG2 H 1 1.4385 0.0000 . 2 . . . . . 2 LYS HG2 . 50978 1 10 . 1 . 1 2 2 LYS HD2 H 1 1.6874 0.0000 . 2 . . . . . 2 LYS HD2 . 50978 1 11 . 1 . 1 2 2 LYS HE2 H 1 2.9770 0.0000 . 2 . . . . . 2 LYS HE2 . 50978 1 12 . 1 . 1 2 2 LYS CA C 13 58.9243 0.0000 . 1 . . . . . 2 LYS CA . 50978 1 13 . 1 . 1 2 2 LYS CB C 13 32.7379 0.0000 . 1 . . . . . 2 LYS CB . 50978 1 14 . 1 . 1 2 2 LYS CG C 13 25.0304 0.0000 . 1 . . . . . 2 LYS CG . 50978 1 15 . 1 . 1 2 2 LYS CD C 13 29.2642 0.0000 . 1 . . . . . 2 LYS CD . 50978 1 16 . 1 . 1 2 2 LYS CE C 13 42.0945 0.0000 . 1 . . . . . 2 LYS CE . 50978 1 17 . 1 . 1 3 3 TYR H H 1 8.5542 0.0000 . 1 . . . . . 3 TYR H . 50978 1 18 . 1 . 1 3 3 TYR HA H 1 4.1778 0.0000 . 1 . . . . . 3 TYR HA . 50978 1 19 . 1 . 1 3 3 TYR HB2 H 1 3.0861 0.0000 . 2 . . . . . 3 TYR HB2 . 50978 1 20 . 1 . 1 3 3 TYR HB3 H 1 3.1748 0.0000 . 2 . . . . . 3 TYR HB3 . 50978 1 21 . 1 . 1 3 3 TYR HD1 H 1 7.1015 0.0000 . 3 . . . . . 3 TYR HD1 . 50978 1 22 . 1 . 1 3 3 TYR HE1 H 1 6.8194 0.0000 . 3 . . . . . 3 TYR HE1 . 50978 1 23 . 1 . 1 3 3 TYR CA C 13 61.9038 0.0000 . 1 . . . . . 3 TYR CA . 50978 1 24 . 1 . 1 3 3 TYR CB C 13 38.1351 0.0000 . 1 . . . . . 3 TYR CB . 50978 1 25 . 1 . 1 3 3 TYR CD1 C 13 133.0244 0.0000 . 3 . . . . . 3 TYR CD1 . 50978 1 26 . 1 . 1 3 3 TYR CE1 C 13 118.4484 0.0000 . 3 . . . . . 3 TYR CE1 . 50978 1 27 . 1 . 1 4 4 ALA H H 1 8.3281 0.0000 . 1 . . . . . 4 ALA H . 50978 1 28 . 1 . 1 4 4 ALA HA H 1 4.1137 0.0000 . 1 . . . . . 4 ALA HA . 50978 1 29 . 1 . 1 4 4 ALA HB1 H 1 1.5221 0.0000 . 1 . . . . . 4 ALA HB1 . 50978 1 30 . 1 . 1 4 4 ALA HB2 H 1 1.5221 0.0000 . 1 . . . . . 4 ALA HB1 . 50978 1 31 . 1 . 1 4 4 ALA HB3 H 1 1.5221 0.0000 . 1 . . . . . 4 ALA HB1 . 50978 1 32 . 1 . 1 4 4 ALA CA C 13 54.9089 0.0000 . 1 . . . . . 4 ALA CA . 50978 1 33 . 1 . 1 4 4 ALA CB C 13 18.2948 0.0000 . 1 . . . . . 4 ALA CB . 50978 1 34 . 1 . 1 5 5 GLN H H 1 8.0019 0.0000 . 1 . . . . . 5 GLN H . 50978 1 35 . 1 . 1 5 5 GLN HA H 1 4.0339 0.0000 . 1 . . . . . 5 GLN HA . 50978 1 36 . 1 . 1 5 5 GLN HB2 H 1 2.1415 0.0000 . 2 . . . . . 5 GLN HB2 . 50978 1 37 . 1 . 1 5 5 GLN HG2 H 1 2.4054 0.0000 . 2 . . . . . 5 GLN HG2 . 50978 1 38 . 1 . 1 5 5 GLN HE21 H 1 7.7229 0.0000 . 2 . . . . . 5 GLN HE21 . 50978 1 39 . 1 . 1 5 5 GLN HE22 H 1 6.9114 0.0000 . 2 . . . . . 5 GLN HE22 . 50978 1 40 . 1 . 1 5 5 GLN CA C 13 58.0301 0.0000 . 1 . . . . . 5 GLN CA . 50978 1 41 . 1 . 1 5 5 GLN CB C 13 28.8697 0.0000 . 1 . . . . . 5 GLN CB . 50978 1 42 . 1 . 1 5 5 GLN CG C 13 33.8291 0.0000 . 1 . . . . . 5 GLN CG . 50978 1 43 . 1 . 1 6 6 TRP H H 1 7.9861 0.0000 . 1 . . . . . 6 TRP H . 50978 1 44 . 1 . 1 6 6 TRP HA H 1 4.3225 0.0000 . 1 . . . . . 6 TRP HA . 50978 1 45 . 1 . 1 6 6 TRP HB2 H 1 3.1781 0.0000 . 1 . . . . . 6 TRP HB2 . 50978 1 46 . 1 . 1 6 6 TRP HB3 H 1 3.4958 0.0000 . 1 . . . . . 6 TRP HB3 . 50978 1 47 . 1 . 1 6 6 TRP HD1 H 1 7.0638 0.0000 . 1 . . . . . 6 TRP HD1 . 50978 1 48 . 1 . 1 6 6 TRP HE1 H 1 9.7514 0.0000 . 1 . . . . . 6 TRP HE1 . 50978 1 49 . 1 . 1 6 6 TRP HE3 H 1 7.1476 0.0000 . 1 . . . . . 6 TRP HE3 . 50978 1 50 . 1 . 1 6 6 TRP HZ2 H 1 7.2489 0.0000 . 1 . . . . . 6 TRP HZ2 . 50978 1 51 . 1 . 1 6 6 TRP HZ3 H 1 7.1261 0.0000 . 1 . . . . . 6 TRP HZ3 . 50978 1 52 . 1 . 1 6 6 TRP HH2 H 1 7.2182 0.0000 . 1 . . . . . 6 TRP HH2 . 50978 1 53 . 1 . 1 6 6 TRP CA C 13 61.5470 0.0000 . 1 . . . . . 6 TRP CA . 50978 1 54 . 1 . 1 6 6 TRP CB C 13 28.0559 0.0000 . 1 . . . . . 6 TRP CB . 50978 1 55 . 1 . 1 6 6 TRP CD1 C 13 127.4858 0.0000 . 1 . . . . . 6 TRP CD1 . 50978 1 56 . 1 . 1 6 6 TRP CE3 C 13 120.6700 0.0000 . 1 . . . . . 6 TRP CE3 . 50978 1 57 . 1 . 1 6 6 TRP CZ2 C 13 114.3940 0.0000 . 1 . . . . . 6 TRP CZ2 . 50978 1 58 . 1 . 1 6 6 TRP CZ3 C 13 122.7020 0.0000 . 1 . . . . . 6 TRP CZ3 . 50978 1 59 . 1 . 1 6 6 TRP CH2 C 13 123.9874 0.0000 . 1 . . . . . 6 TRP CH2 . 50978 1 60 . 1 . 1 7 7 LEU H H 1 8.2935 0.0000 . 1 . . . . . 7 LEU H . 50978 1 61 . 1 . 1 7 7 LEU HA H 1 3.5069 0.0000 . 1 . . . . . 7 LEU HA . 50978 1 62 . 1 . 1 7 7 LEU HB2 H 1 1.7772 0.0000 . 1 . . . . . 7 LEU HB2 . 50978 1 63 . 1 . 1 7 7 LEU HB3 H 1 1.4143 0.0000 . 1 . . . . . 7 LEU HB3 . 50978 1 64 . 1 . 1 7 7 LEU HG H 1 1.5836 0.0000 . 1 . . . . . 7 LEU HG . 50978 1 65 . 1 . 1 7 7 LEU HD11 H 1 0.9396 0.0000 . 1 . . . . . 7 LEU HD11 . 50978 1 66 . 1 . 1 7 7 LEU HD12 H 1 0.9396 0.0000 . 1 . . . . . 7 LEU HD11 . 50978 1 67 . 1 . 1 7 7 LEU HD13 H 1 0.9396 0.0000 . 1 . . . . . 7 LEU HD11 . 50978 1 68 . 1 . 1 7 7 LEU HD21 H 1 0.8543 0.0000 . 1 . . . . . 7 LEU HD21 . 50978 1 69 . 1 . 1 7 7 LEU HD22 H 1 0.8543 0.0000 . 1 . . . . . 7 LEU HD21 . 50978 1 70 . 1 . 1 7 7 LEU HD23 H 1 0.8543 0.0000 . 1 . . . . . 7 LEU HD21 . 50978 1 71 . 1 . 1 7 7 LEU CA C 13 57.4496 0.0000 . 1 . . . . . 7 LEU CA . 50978 1 72 . 1 . 1 7 7 LEU CB C 13 42.1171 0.0000 . 1 . . . . . 7 LEU CB . 50978 1 73 . 1 . 1 7 7 LEU CG C 13 26.5137 0.0000 . 1 . . . . . 7 LEU CG . 50978 1 74 . 1 . 1 7 7 LEU CD1 C 13 25.5737 0.0000 . 1 . . . . . 7 LEU CD1 . 50978 1 75 . 1 . 1 7 7 LEU CD2 C 13 23.3338 0.0000 . 1 . . . . . 7 LEU CD2 . 50978 1 76 . 1 . 1 8 8 ALA H H 1 8.0996 0.0000 . 1 . . . . . 8 ALA H . 50978 1 77 . 1 . 1 8 8 ALA HA H 1 4.0636 0.0000 . 1 . . . . . 8 ALA HA . 50978 1 78 . 1 . 1 8 8 ALA HB1 H 1 1.4618 0.0000 . 1 . . . . . 8 ALA HB1 . 50978 1 79 . 1 . 1 8 8 ALA HB2 H 1 1.4618 0.0000 . 1 . . . . . 8 ALA HB1 . 50978 1 80 . 1 . 1 8 8 ALA HB3 H 1 1.4618 0.0000 . 1 . . . . . 8 ALA HB1 . 50978 1 81 . 1 . 1 8 8 ALA CA C 13 54.5665 0.0000 . 1 . . . . . 8 ALA CA . 50978 1 82 . 1 . 1 8 8 ALA CB C 13 17.8400 0.0000 . 1 . . . . . 8 ALA CB . 50978 1 83 . 1 . 1 9 9 ASP H H 1 7.8513 0.0000 . 1 . . . . . 9 ASP H . 50978 1 84 . 1 . 1 9 9 ASP HA H 1 4.5795 0.0000 . 1 . . . . . 9 ASP HA . 50978 1 85 . 1 . 1 9 9 ASP HB2 H 1 2.8517 0.0000 . 2 . . . . . 9 ASP HB2 . 50978 1 86 . 1 . 1 9 9 ASP HB3 H 1 2.6970 0.0000 . 2 . . . . . 9 ASP HB3 . 50978 1 87 . 1 . 1 9 9 ASP CA C 13 54.6450 0.0000 . 1 . . . . . 9 ASP CA . 50978 1 88 . 1 . 1 9 9 ASP CB C 13 41.0136 0.0000 . 1 . . . . . 9 ASP CB . 50978 1 89 . 1 . 1 10 10 GLY H H 1 7.6400 0.0000 . 1 . . . . . 10 GLY H . 50978 1 90 . 1 . 1 10 10 GLY HA2 H 1 3.5517 0.0000 . 1 . . . . . 10 GLY HA2 . 50978 1 91 . 1 . 1 10 10 GLY HA3 H 1 4.1309 0.0000 . 1 . . . . . 10 GLY HA3 . 50978 1 92 . 1 . 1 10 10 GLY CA C 13 44.3877 0.0000 . 1 . . . . . 10 GLY CA . 50978 1 93 . 1 . 1 11 11 GLY H H 1 8.2974 0.0000 . 1 . . . . . 11 GLY H . 50978 1 94 . 1 . 1 11 11 GLY HA2 H 1 1.3972 0.0000 . 1 . . . . . 11 GLY HA2 . 50978 1 95 . 1 . 1 11 11 GLY HA3 H 1 3.1926 0.0000 . 1 . . . . . 11 GLY HA3 . 50978 1 96 . 1 . 1 11 11 GLY CA C 13 43.5446 0.0000 . 1 . . . . . 11 GLY CA . 50978 1 97 . 1 . 1 12 12 PRO HA H 1 4.5654 0.0000 . 1 . . . . . 12 PRO HA . 50978 1 98 . 1 . 1 12 12 PRO HB2 H 1 2.0438 0.0000 . 1 . . . . . 12 PRO HB2 . 50978 1 99 . 1 . 1 12 12 PRO HB3 H 1 2.4781 0.0000 . 1 . . . . . 12 PRO HB3 . 50978 1 100 . 1 . 1 12 12 PRO HG2 H 1 2.1215 0.0000 . 2 . . . . . 12 PRO HG2 . 50978 1 101 . 1 . 1 12 12 PRO HD2 H 1 3.7644 0.0000 . 1 . . . . . 12 PRO HD2 . 50978 1 102 . 1 . 1 12 12 PRO HD3 H 1 3.3846 0.0000 . 1 . . . . . 12 PRO HD3 . 50978 1 103 . 1 . 1 12 12 PRO CA C 13 64.7888 0.0000 . 1 . . . . . 12 PRO CA . 50978 1 104 . 1 . 1 12 12 PRO CB C 13 31.9602 0.0000 . 1 . . . . . 12 PRO CB . 50978 1 105 . 1 . 1 12 12 PRO CG C 13 27.4011 0.0000 . 1 . . . . . 12 PRO CG . 50978 1 106 . 1 . 1 12 12 PRO CD C 13 50.8900 0.0000 . 1 . . . . . 12 PRO CD . 50978 1 107 . 1 . 1 13 13 SER H H 1 7.8195 0.0000 . 1 . . . . . 13 SER H . 50978 1 108 . 1 . 1 13 13 SER HA H 1 4.4566 0.0000 . 1 . . . . . 13 SER HA . 50978 1 109 . 1 . 1 13 13 SER HB2 H 1 3.9193 0.0000 . 2 . . . . . 13 SER HB2 . 50978 1 110 . 1 . 1 13 13 SER CA C 13 59.3434 0.0000 . 1 . . . . . 13 SER CA . 50978 1 111 . 1 . 1 13 13 SER CB C 13 63.2325 0.0000 . 1 . . . . . 13 SER CB . 50978 1 112 . 1 . 1 14 14 SER H H 1 8.1654 0.0000 . 1 . . . . . 14 SER H . 50978 1 113 . 1 . 1 14 14 SER HA H 1 4.2152 0.0000 . 1 . . . . . 14 SER HA . 50978 1 114 . 1 . 1 14 14 SER HB2 H 1 3.8897 0.0000 . 2 . . . . . 14 SER HB2 . 50978 1 115 . 1 . 1 14 14 SER HB3 H 1 3.5900 0.0000 . 2 . . . . . 14 SER HB3 . 50978 1 116 . 1 . 1 14 14 SER CA C 13 59.9209 0.0000 . 1 . . . . . 14 SER CA . 50978 1 117 . 1 . 1 14 14 SER CB C 13 64.8821 0.0000 . 1 . . . . . 14 SER CB . 50978 1 118 . 1 . 1 15 15 GLY H H 1 7.9719 0.0000 . 1 . . . . . 15 GLY H . 50978 1 119 . 1 . 1 15 15 GLY HA2 H 1 3.8355 0.0000 . 1 . . . . . 15 GLY HA2 . 50978 1 120 . 1 . 1 15 15 GLY HA3 H 1 4.2220 0.0000 . 1 . . . . . 15 GLY HA3 . 50978 1 121 . 1 . 1 15 15 GLY CA C 13 45.4142 0.0000 . 1 . . . . . 15 GLY CA . 50978 1 122 . 1 . 1 16 16 ARG H H 1 8.0915 0.0000 . 1 . . . . . 16 ARG H . 50978 1 123 . 1 . 1 16 16 ARG HA H 1 4.9396 0.0000 . 1 . . . . . 16 ARG HA . 50978 1 124 . 1 . 1 16 16 ARG HB2 H 1 1.8499 0.0000 . 2 . . . . . 16 ARG HB2 . 50978 1 125 . 1 . 1 16 16 ARG HG2 H 1 1.7535 0.0000 . 2 . . . . . 16 ARG HG2 . 50978 1 126 . 1 . 1 16 16 ARG HG3 H 1 1.6696 0.0000 . 2 . . . . . 16 ARG HG3 . 50978 1 127 . 1 . 1 16 16 ARG HD2 H 1 3.2971 0.0000 . 2 . . . . . 16 ARG HD2 . 50978 1 128 . 1 . 1 16 16 ARG HD3 H 1 3.2199 0.0000 . 2 . . . . . 16 ARG HD3 . 50978 1 129 . 1 . 1 16 16 ARG HE H 1 7.5194 0.0000 . 1 . . . . . 16 ARG HE . 50978 1 130 . 1 . 1 16 16 ARG CB C 13 30.7442 0.0000 . 1 . . . . . 16 ARG CB . 50978 1 131 . 1 . 1 16 16 ARG CG C 13 26.8516 0.0000 . 1 . . . . . 16 ARG CG . 50978 1 132 . 1 . 1 16 16 ARG CD C 13 43.6356 0.0000 . 1 . . . . . 16 ARG CD . 50978 1 133 . 1 . 1 17 17 PRO HA H 1 4.7319 0.0000 . 1 . . . . . 17 PRO HA . 50978 1 134 . 1 . 1 17 17 PRO HB2 H 1 2.3194 0.0000 . 2 . . . . . 17 PRO HB2 . 50978 1 135 . 1 . 1 17 17 PRO HB3 H 1 1.8069 0.0000 . 2 . . . . . 17 PRO HB3 . 50978 1 136 . 1 . 1 17 17 PRO HG2 H 1 2.0044 0.0000 . 2 . . . . . 17 PRO HG2 . 50978 1 137 . 1 . 1 17 17 PRO HD2 H 1 3.8621 0.0000 . 2 . . . . . 17 PRO HD2 . 50978 1 138 . 1 . 1 17 17 PRO HD3 H 1 3.6537 0.0000 . 2 . . . . . 17 PRO HD3 . 50978 1 139 . 1 . 1 17 17 PRO CB C 13 30.5897 0.0000 . 1 . . . . . 17 PRO CB . 50978 1 140 . 1 . 1 17 17 PRO CG C 13 27.1454 0.0000 . 1 . . . . . 17 PRO CG . 50978 1 141 . 1 . 1 17 17 PRO CD C 13 50.6623 0.0000 . 1 . . . . . 17 PRO CD . 50978 1 142 . 1 . 1 18 18 PRO HA H 1 2.8726 0.0000 . 1 . . . . . 18 PRO HA . 50978 1 143 . 1 . 1 18 18 PRO HB2 H 1 1.3935 0.0000 . 1 . . . . . 18 PRO HB2 . 50978 1 144 . 1 . 1 18 18 PRO HB3 H 1 0.7518 0.0000 . 1 . . . . . 18 PRO HB3 . 50978 1 145 . 1 . 1 18 18 PRO HG2 H 1 1.7935 0.0000 . 2 . . . . . 18 PRO HG2 . 50978 1 146 . 1 . 1 18 18 PRO HG3 H 1 1.7055 0.0000 . 2 . . . . . 18 PRO HG3 . 50978 1 147 . 1 . 1 18 18 PRO HD2 H 1 3.5158 0.0000 . 1 . . . . . 18 PRO HD2 . 50978 1 148 . 1 . 1 18 18 PRO HD3 H 1 3.5656 0.0000 . 1 . . . . . 18 PRO HD3 . 50978 1 149 . 1 . 1 18 18 PRO CA C 13 60.2608 0.0000 . 1 . . . . . 18 PRO CA . 50978 1 150 . 1 . 1 18 18 PRO CB C 13 29.5048 0.0000 . 1 . . . . . 18 PRO CB . 50978 1 151 . 1 . 1 18 18 PRO CG C 13 26.8934 0.0000 . 1 . . . . . 18 PRO CG . 50978 1 152 . 1 . 1 18 18 PRO CD C 13 49.7613 0.0000 . 1 . . . . . 18 PRO CD . 50978 1 153 . 1 . 1 19 19 PRO HA H 1 4.3152 0.0000 . 1 . . . . . 19 PRO HA . 50978 1 154 . 1 . 1 19 19 PRO HB2 H 1 2.1535 0.0000 . 2 . . . . . 19 PRO HB2 . 50978 1 155 . 1 . 1 19 19 PRO HB3 H 1 1.8927 0.0000 . 2 . . . . . 19 PRO HB3 . 50978 1 156 . 1 . 1 19 19 PRO HG2 H 1 1.8444 0.0000 . 2 . . . . . 19 PRO HG2 . 50978 1 157 . 1 . 1 19 19 PRO HD2 H 1 3.1988 0.0000 . 2 . . . . . 19 PRO HD2 . 50978 1 158 . 1 . 1 19 19 PRO HD3 H 1 3.0055 0.0000 . 2 . . . . . 19 PRO HD3 . 50978 1 159 . 1 . 1 19 19 PRO CA C 13 62.8419 0.0000 . 1 . . . . . 19 PRO CA . 50978 1 160 . 1 . 1 19 19 PRO CB C 13 31.6874 0.0000 . 1 . . . . . 19 PRO CB . 50978 1 161 . 1 . 1 19 19 PRO CG C 13 27.1708 0.0000 . 1 . . . . . 19 PRO CG . 50978 1 162 . 1 . 1 19 19 PRO CD C 13 49.9284 0.0000 . 1 . . . . . 19 PRO CD . 50978 1 163 . 1 . 1 20 20 LYS H H 1 7.7992 0.0000 . 1 . . . . . 20 LYS H . 50978 1 164 . 1 . 1 20 20 LYS HA H 1 4.0769 0.0000 . 1 . . . . . 20 LYS HA . 50978 1 165 . 1 . 1 20 20 LYS HB2 H 1 1.7397 0.0000 . 2 . . . . . 20 LYS HB2 . 50978 1 166 . 1 . 1 20 20 LYS HB3 H 1 1.6307 0.0000 . 2 . . . . . 20 LYS HB3 . 50978 1 167 . 1 . 1 20 20 LYS HG2 H 1 1.3375 0.0000 . 2 . . . . . 20 LYS HG2 . 50978 1 168 . 1 . 1 20 20 LYS HD2 H 1 1.6127 0.0000 . 2 . . . . . 20 LYS HD2 . 50978 1 169 . 1 . 1 20 20 LYS HE2 H 1 2.9249 0.0000 . 2 . . . . . 20 LYS HE2 . 50978 1 170 . 1 . 1 20 20 LYS CA C 13 57.5911 0.0000 . 1 . . . . . 20 LYS CA . 50978 1 171 . 1 . 1 20 20 LYS CB C 13 33.9027 0.0000 . 1 . . . . . 20 LYS CB . 50978 1 172 . 1 . 1 20 20 LYS CG C 13 24.7067 0.0000 . 1 . . . . . 20 LYS CG . 50978 1 173 . 1 . 1 20 20 LYS CD C 13 29.0785 0.0000 . 1 . . . . . 20 LYS CD . 50978 1 174 . 1 . 1 20 20 LYS CE C 13 42.1785 0.0000 . 1 . . . . . 20 LYS CE . 50978 1 stop_ save_