################################### # 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 31279 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 31279 1 2 '2D 1H-1H NOESY' . . . 31279 1 3 '2D 1H-13C HSQC' . . . 31279 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 HIS HA H 1 3.956 0.020 . 1 . . . . A 1 HIS HA . 31279 1 2 . 1 . 1 1 1 HIS HB2 H 1 3.078 0.020 . 2 . . . . A 1 HIS HB2 . 31279 1 3 . 1 . 1 1 1 HIS HB3 H 1 3.030 0.020 . 2 . . . . A 1 HIS HB3 . 31279 1 4 . 1 . 1 1 1 HIS HD2 H 1 7.018 0.020 . 1 . . . . A 1 HIS HD2 . 31279 1 5 . 1 . 1 1 1 HIS HE1 H 1 7.136 0.020 . 1 . . . . A 1 HIS HE1 . 31279 1 6 . 1 . 1 1 1 HIS CA C 13 56.529 0.400 . 1 . . . . A 1 HIS CA . 31279 1 7 . 1 . 1 1 1 HIS CB C 13 32.594 0.400 . 1 . . . . A 1 HIS CB . 31279 1 8 . 1 . 1 1 1 HIS CD2 C 13 120.119 0.400 . 1 . . . . A 1 HIS CD2 . 31279 1 9 . 1 . 1 1 1 HIS CE1 C 13 138.676 0.400 . 1 . . . . A 1 HIS CE1 . 31279 1 10 . 1 . 1 2 2 ALA HA H 1 4.325 0.020 . 1 . . . . A 2 ALA HA . 31279 1 11 . 1 . 1 2 2 ALA HB1 H 1 1.337 0.020 . 1 . . . . A 2 ALA HB1 . 31279 1 12 . 1 . 1 2 2 ALA HB2 H 1 1.337 0.020 . 1 . . . . A 2 ALA HB2 . 31279 1 13 . 1 . 1 2 2 ALA HB3 H 1 1.337 0.020 . 1 . . . . A 2 ALA HB3 . 31279 1 14 . 1 . 1 2 2 ALA CA C 13 52.455 0.400 . 1 . . . . A 2 ALA CA . 31279 1 15 . 1 . 1 2 2 ALA CB C 13 19.299 0.400 . 1 . . . . A 2 ALA CB . 31279 1 16 . 1 . 1 3 3 GLU H H 1 8.620 0.020 . 1 . . . . A 3 GLU H . 31279 1 17 . 1 . 1 3 3 GLU HA H 1 4.263 0.020 . 1 . . . . A 3 GLU HA . 31279 1 18 . 1 . 1 3 3 GLU HB2 H 1 2.051 0.020 . 2 . . . . A 3 GLU HB2 . 31279 1 19 . 1 . 1 3 3 GLU HB3 H 1 1.948 0.020 . 2 . . . . A 3 GLU HB3 . 31279 1 20 . 1 . 1 3 3 GLU HG2 H 1 2.271 0.020 . 2 . . . . A 3 GLU HG2 . 31279 1 21 . 1 . 1 3 3 GLU HG3 H 1 2.271 0.020 . 2 . . . . A 3 GLU HG3 . 31279 1 22 . 1 . 1 3 3 GLU CA C 13 57.020 0.400 . 1 . . . . A 3 GLU CA . 31279 1 23 . 1 . 1 3 3 GLU CB C 13 30.241 0.400 . 1 . . . . A 3 GLU CB . 31279 1 24 . 1 . 1 3 3 GLU CG C 13 36.368 0.400 . 1 . . . . A 3 GLU CG . 31279 1 25 . 1 . 1 4 4 GLY H H 1 8.419 0.020 . 1 . . . . A 4 GLY H . 31279 1 26 . 1 . 1 4 4 GLY HA2 H 1 3.976 0.020 . 2 . . . . A 4 GLY HA2 . 31279 1 27 . 1 . 1 4 4 GLY HA3 H 1 3.930 0.020 . 2 . . . . A 4 GLY HA3 . 31279 1 28 . 1 . 1 4 4 GLY CA C 13 45.455 0.400 . 1 . . . . A 4 GLY CA . 31279 1 29 . 1 . 1 5 5 THR H H 1 7.893 0.020 . 1 . . . . A 5 THR H . 31279 1 30 . 1 . 1 5 5 THR HA H 1 4.290 0.020 . 1 . . . . A 5 THR HA . 31279 1 31 . 1 . 1 5 5 THR HB H 1 4.100 0.020 . 1 . . . . A 5 THR HB . 31279 1 32 . 1 . 1 5 5 THR HG21 H 1 1.058 0.020 . 1 . . . . A 5 THR HG21 . 31279 1 33 . 1 . 1 5 5 THR HG22 H 1 1.058 0.020 . 1 . . . . A 5 THR HG22 . 31279 1 34 . 1 . 1 5 5 THR HG23 H 1 1.058 0.020 . 1 . . . . A 5 THR HG23 . 31279 1 35 . 1 . 1 5 5 THR CA C 13 61.924 0.400 . 1 . . . . A 5 THR CA . 31279 1 36 . 1 . 1 5 5 THR CB C 13 70.039 0.400 . 1 . . . . A 5 THR CB . 31279 1 37 . 1 . 1 5 5 THR CG2 C 13 21.515 0.400 . 1 . . . . A 5 THR CG2 . 31279 1 38 . 1 . 1 6 6 PHE H H 1 8.318 0.020 . 1 . . . . A 6 PHE H . 31279 1 39 . 1 . 1 6 6 PHE HA H 1 4.650 0.020 . 1 . . . . A 6 PHE HA . 31279 1 40 . 1 . 1 6 6 PHE HB2 H 1 3.083 0.020 . 2 . . . . A 6 PHE HB2 . 31279 1 41 . 1 . 1 6 6 PHE HB3 H 1 2.954 0.020 . 2 . . . . A 6 PHE HB3 . 31279 1 42 . 1 . 1 6 6 PHE HD1 H 1 7.155 0.020 . 1 . . . . A 6 PHE HD1 . 31279 1 43 . 1 . 1 6 6 PHE HD2 H 1 7.155 0.020 . 1 . . . . A 6 PHE HD2 . 31279 1 44 . 1 . 1 6 6 PHE HE1 H 1 7.210 0.020 . 1 . . . . A 6 PHE HE1 . 31279 1 45 . 1 . 1 6 6 PHE HE2 H 1 7.210 0.020 . 1 . . . . A 6 PHE HE2 . 31279 1 46 . 1 . 1 6 6 PHE HZ H 1 7.157 0.020 . 1 . . . . A 6 PHE HZ . 31279 1 47 . 1 . 1 6 6 PHE CB C 13 39.758 0.400 . 1 . . . . A 6 PHE CB . 31279 1 48 . 1 . 1 6 6 PHE CD1 C 13 131.950 0.400 . 3 . . . . A 6 PHE CD1 . 31279 1 49 . 1 . 1 6 6 PHE CE1 C 13 131.276 0.400 . 3 . . . . A 6 PHE CE1 . 31279 1 50 . 1 . 1 6 6 PHE CZ C 13 129.660 0.400 . 1 . . . . A 6 PHE CZ . 31279 1 51 . 1 . 1 7 7 THR H H 1 8.035 0.020 . 1 . . . . A 7 THR H . 31279 1 52 . 1 . 1 7 7 THR HA H 1 4.274 0.020 . 1 . . . . A 7 THR HA . 31279 1 53 . 1 . 1 7 7 THR HB H 1 4.176 0.020 . 1 . . . . A 7 THR HB . 31279 1 54 . 1 . 1 7 7 THR HG21 H 1 1.122 0.020 . 1 . . . . A 7 THR HG21 . 31279 1 55 . 1 . 1 7 7 THR HG22 H 1 1.122 0.020 . 1 . . . . A 7 THR HG22 . 31279 1 56 . 1 . 1 7 7 THR HG23 H 1 1.122 0.020 . 1 . . . . A 7 THR HG23 . 31279 1 57 . 1 . 1 7 7 THR CA C 13 61.857 0.400 . 1 . . . . A 7 THR CA . 31279 1 58 . 1 . 1 7 7 THR CB C 13 69.798 0.400 . 1 . . . . A 7 THR CB . 31279 1 59 . 1 . 1 7 7 THR CG2 C 13 21.630 0.400 . 1 . . . . A 7 THR CG2 . 31279 1 60 . 1 . 1 8 8 SER H H 1 8.153 0.020 . 1 . . . . A 8 SER H . 31279 1 61 . 1 . 1 8 8 SER HA H 1 4.409 0.020 . 1 . . . . A 8 SER HA . 31279 1 62 . 1 . 1 8 8 SER HB2 H 1 3.877 0.020 . 2 . . . . A 8 SER HB2 . 31279 1 63 . 1 . 1 8 8 SER HB3 H 1 3.820 0.020 . 2 . . . . A 8 SER HB3 . 31279 1 64 . 1 . 1 8 8 SER CA C 13 58.701 0.400 . 1 . . . . A 8 SER CA . 31279 1 65 . 1 . 1 8 8 SER CB C 13 63.829 0.400 . 1 . . . . A 8 SER CB . 31279 1 66 . 1 . 1 9 9 ASP H H 1 8.346 0.020 . 1 . . . . A 9 ASP H . 31279 1 67 . 1 . 1 9 9 ASP HA H 1 4.636 0.020 . 1 . . . . A 9 ASP HA . 31279 1 68 . 1 . 1 9 9 ASP HB2 H 1 2.702 0.020 . 2 . . . . A 9 ASP HB2 . 31279 1 69 . 1 . 1 9 9 ASP HB3 H 1 2.650 0.020 . 2 . . . . A 9 ASP HB3 . 31279 1 70 . 1 . 1 9 9 ASP CA C 13 55.903 0.400 . 1 . . . . A 9 ASP CA . 31279 1 71 . 1 . 1 9 9 ASP CB C 13 41.139 0.400 . 1 . . . . A 9 ASP CB . 31279 1 72 . 1 . 1 10 10 VAL H H 1 8.090 0.020 . 1 . . . . A 10 VAL H . 31279 1 73 . 1 . 1 10 10 VAL HA H 1 4.006 0.020 . 1 . . . . A 10 VAL HA . 31279 1 74 . 1 . 1 10 10 VAL HB H 1 2.061 0.020 . 1 . . . . A 10 VAL HB . 31279 1 75 . 1 . 1 10 10 VAL HG11 H 1 0.857 0.020 . 2 . . . . A 10 VAL HG11 . 31279 1 76 . 1 . 1 10 10 VAL HG12 H 1 0.857 0.020 . 2 . . . . A 10 VAL HG12 . 31279 1 77 . 1 . 1 10 10 VAL HG13 H 1 0.857 0.020 . 2 . . . . A 10 VAL HG13 . 31279 1 78 . 1 . 1 10 10 VAL HG21 H 1 0.861 0.020 . 2 . . . . A 10 VAL HG21 . 31279 1 79 . 1 . 1 10 10 VAL HG22 H 1 0.861 0.020 . 2 . . . . A 10 VAL HG22 . 31279 1 80 . 1 . 1 10 10 VAL HG23 H 1 0.861 0.020 . 2 . . . . A 10 VAL HG23 . 31279 1 81 . 1 . 1 10 10 VAL CA C 13 63.494 0.400 . 1 . . . . A 10 VAL CA . 31279 1 82 . 1 . 1 10 10 VAL CB C 13 32.338 0.400 . 1 . . . . A 10 VAL CB . 31279 1 83 . 1 . 1 10 10 VAL CG1 C 13 21.313 0.400 . 2 . . . . A 10 VAL CG1 . 31279 1 84 . 1 . 1 10 10 VAL CG2 C 13 21.036 0.400 . 2 . . . . A 10 VAL CG2 . 31279 1 85 . 1 . 1 11 11 SER H H 1 8.241 0.020 . 1 . . . . A 11 SER H . 31279 1 86 . 1 . 1 11 11 SER HA H 1 4.248 0.020 . 1 . . . . A 11 SER HA . 31279 1 87 . 1 . 1 11 11 SER HB2 H 1 3.871 0.020 . 2 . . . . A 11 SER HB2 . 31279 1 88 . 1 . 1 11 11 SER HB3 H 1 3.828 0.020 . 2 . . . . A 11 SER HB3 . 31279 1 89 . 1 . 1 11 11 SER CA C 13 62.057 0.400 . 1 . . . . A 11 SER CA . 31279 1 90 . 1 . 1 11 11 SER CB C 13 63.450 0.400 . 1 . . . . A 11 SER CB . 31279 1 91 . 1 . 1 12 12 SER H H 1 8.081 0.020 . 1 . . . . A 12 SER H . 31279 1 92 . 1 . 1 12 12 SER HA H 1 4.359 0.020 . 1 . . . . A 12 SER HA . 31279 1 93 . 1 . 1 12 12 SER HB2 H 1 3.801 0.020 . 2 . . . . A 12 SER HB2 . 31279 1 94 . 1 . 1 12 12 SER HB3 H 1 3.779 0.020 . 2 . . . . A 12 SER HB3 . 31279 1 95 . 1 . 1 12 12 SER CA C 13 59.812 0.400 . 1 . . . . A 12 SER CA . 31279 1 96 . 1 . 1 12 12 SER CB C 13 63.518 0.400 . 1 . . . . A 12 SER CB . 31279 1 97 . 1 . 1 13 13 TYR H H 1 7.899 0.020 . 1 . . . . A 13 TYR H . 31279 1 98 . 1 . 1 13 13 TYR HA H 1 4.428 0.020 . 1 . . . . A 13 TYR HA . 31279 1 99 . 1 . 1 13 13 TYR HB2 H 1 2.958 0.020 . 2 . . . . A 13 TYR HB2 . 31279 1 100 . 1 . 1 13 13 TYR HB3 H 1 2.901 0.020 . 2 . . . . A 13 TYR HB3 . 31279 1 101 . 1 . 1 13 13 TYR HD1 H 1 6.953 0.020 . 1 . . . . A 13 TYR HD1 . 31279 1 102 . 1 . 1 13 13 TYR HD2 H 1 6.953 0.020 . 1 . . . . A 13 TYR HD2 . 31279 1 103 . 1 . 1 13 13 TYR HE1 H 1 6.681 0.020 . 1 . . . . A 13 TYR HE1 . 31279 1 104 . 1 . 1 13 13 TYR HE2 H 1 6.681 0.020 . 1 . . . . A 13 TYR HE2 . 31279 1 105 . 1 . 1 13 13 TYR CA C 13 58.908 0.400 . 1 . . . . A 13 TYR CA . 31279 1 106 . 1 . 1 13 13 TYR CB C 13 38.564 0.400 . 1 . . . . A 13 TYR CB . 31279 1 107 . 1 . 1 13 13 TYR CD1 C 13 132.915 0.400 . 3 . . . . A 13 TYR CD1 . 31279 1 108 . 1 . 1 13 13 TYR CE1 C 13 118.227 0.400 . 3 . . . . A 13 TYR CE1 . 31279 1 109 . 1 . 1 14 14 LEU H H 1 7.924 0.020 . 1 . . . . A 14 LEU H . 31279 1 110 . 1 . 1 14 14 LEU HA H 1 4.150 0.020 . 1 . . . . A 14 LEU HA . 31279 1 111 . 1 . 1 14 14 LEU HB2 H 1 1.619 0.020 . 2 . . . . A 14 LEU HB2 . 31279 1 112 . 1 . 1 14 14 LEU HB3 H 1 1.480 0.020 . 2 . . . . A 14 LEU HB3 . 31279 1 113 . 1 . 1 14 14 LEU HG H 1 1.570 0.020 . 1 . . . . A 14 LEU HG . 31279 1 114 . 1 . 1 14 14 LEU HD11 H 1 0.740 0.020 . 2 . . . . A 14 LEU HD11 . 31279 1 115 . 1 . 1 14 14 LEU HD12 H 1 0.740 0.020 . 2 . . . . A 14 LEU HD12 . 31279 1 116 . 1 . 1 14 14 LEU HD13 H 1 0.740 0.020 . 2 . . . . A 14 LEU HD13 . 31279 1 117 . 1 . 1 14 14 LEU HD21 H 1 0.789 0.020 . 2 . . . . A 14 LEU HD21 . 31279 1 118 . 1 . 1 14 14 LEU HD22 H 1 0.789 0.020 . 2 . . . . A 14 LEU HD22 . 31279 1 119 . 1 . 1 14 14 LEU HD23 H 1 0.789 0.020 . 2 . . . . A 14 LEU HD23 . 31279 1 120 . 1 . 1 14 14 LEU CA C 13 55.648 0.400 . 1 . . . . A 14 LEU CA . 31279 1 121 . 1 . 1 14 14 LEU CB C 13 42.296 0.400 . 1 . . . . A 14 LEU CB . 31279 1 122 . 1 . 1 14 14 LEU CG C 13 26.974 0.400 . 1 . . . . A 14 LEU CG . 31279 1 123 . 1 . 1 14 14 LEU CD1 C 13 23.481 0.400 . 2 . . . . A 14 LEU CD1 . 31279 1 124 . 1 . 1 14 14 LEU CD2 C 13 25.429 0.400 . 2 . . . . A 14 LEU CD2 . 31279 1 125 . 1 . 1 15 15 GLU HA H 1 4.196 0.020 . 1 . . . . A 15 GLU HA . 31279 1 126 . 1 . 1 15 15 GLU HB2 H 1 2.051 0.020 . 2 . . . . A 15 GLU HB2 . 31279 1 127 . 1 . 1 15 15 GLU HB3 H 1 1.972 0.020 . 2 . . . . A 15 GLU HB3 . 31279 1 128 . 1 . 1 15 15 GLU HG2 H 1 2.280 0.020 . 2 . . . . A 15 GLU HG2 . 31279 1 129 . 1 . 1 15 15 GLU HG3 H 1 2.262 0.020 . 2 . . . . A 15 GLU HG3 . 31279 1 130 . 1 . 1 15 15 GLU CA C 13 60.067 0.400 . 1 . . . . A 15 GLU CA . 31279 1 131 . 1 . 1 15 15 GLU CB C 13 29.991 0.400 . 1 . . . . A 15 GLU CB . 31279 1 132 . 1 . 1 15 15 GLU CG C 13 36.572 0.400 . 1 . . . . A 15 GLU CG . 31279 1 133 . 1 . 1 16 16 GLY HA2 H 1 3.991 0.020 . 2 . . . . A 16 GLY HA2 . 31279 1 134 . 1 . 1 16 16 GLY HA3 H 1 3.921 0.020 . 2 . . . . A 16 GLY HA3 . 31279 1 135 . 1 . 1 16 16 GLY CA C 13 45.457 0.400 . 1 . . . . A 16 GLY CA . 31279 1 136 . 1 . 1 17 17 GLN HA H 1 4.125 0.020 . 1 . . . . A 17 GLN HA . 31279 1 137 . 1 . 1 17 17 GLN HB2 H 1 2.078 0.020 . 2 . . . . A 17 GLN HB2 . 31279 1 138 . 1 . 1 17 17 GLN HB3 H 1 2.074 0.020 . 2 . . . . A 17 GLN HB3 . 31279 1 139 . 1 . 1 17 17 GLN HG2 H 1 2.335 0.020 . 2 . . . . A 17 GLN HG2 . 31279 1 140 . 1 . 1 17 17 GLN HG3 H 1 2.314 0.020 . 2 . . . . A 17 GLN HG3 . 31279 1 141 . 1 . 1 17 17 GLN HE21 H 1 7.558 0.020 . 2 . . . . A 17 GLN HE21 . 31279 1 142 . 1 . 1 17 17 GLN HE22 H 1 6.702 0.020 . 2 . . . . A 17 GLN HE22 . 31279 1 143 . 1 . 1 17 17 GLN CA C 13 60.855 0.400 . 1 . . . . A 17 GLN CA . 31279 1 144 . 1 . 1 17 17 GLN CB C 13 28.889 0.400 . 1 . . . . A 17 GLN CB . 31279 1 145 . 1 . 1 17 17 GLN CG C 13 33.752 0.400 . 1 . . . . A 17 GLN CG . 31279 1 146 . 1 . 1 18 18 ALA H H 1 8.219 0.020 . 1 . . . . A 18 ALA H . 31279 1 147 . 1 . 1 18 18 ALA HA H 1 4.135 0.020 . 1 . . . . A 18 ALA HA . 31279 1 148 . 1 . 1 18 18 ALA HB1 H 1 1.370 0.020 . 1 . . . . A 18 ALA HB1 . 31279 1 149 . 1 . 1 18 18 ALA HB2 H 1 1.370 0.020 . 1 . . . . A 18 ALA HB2 . 31279 1 150 . 1 . 1 18 18 ALA HB3 H 1 1.370 0.020 . 1 . . . . A 18 ALA HB3 . 31279 1 151 . 1 . 1 18 18 ALA CA C 13 54.932 0.400 . 1 . . . . A 18 ALA CA . 31279 1 152 . 1 . 1 18 18 ALA CB C 13 18.570 0.400 . 1 . . . . A 18 ALA CB . 31279 1 153 . 1 . 1 19 19 ALA H H 1 8.096 0.020 . 1 . . . . A 19 ALA H . 31279 1 154 . 1 . 1 19 19 ALA HA H 1 4.021 0.020 . 1 . . . . A 19 ALA HA . 31279 1 155 . 1 . 1 19 19 ALA HB1 H 1 1.344 0.020 . 1 . . . . A 19 ALA HB1 . 31279 1 156 . 1 . 1 19 19 ALA HB2 H 1 1.344 0.020 . 1 . . . . A 19 ALA HB2 . 31279 1 157 . 1 . 1 19 19 ALA HB3 H 1 1.344 0.020 . 1 . . . . A 19 ALA HB3 . 31279 1 158 . 1 . 1 19 19 ALA CA C 13 55.271 0.400 . 1 . . . . A 19 ALA CA . 31279 1 159 . 1 . 1 19 19 ALA CB C 13 18.461 0.400 . 1 . . . . A 19 ALA CB . 31279 1 160 . 1 . 1 20 20 LYS H H 1 7.877 0.020 . 1 . . . . A 20 LYS H . 31279 1 161 . 1 . 1 20 20 LYS HA H 1 3.896 0.020 . 1 . . . . A 20 LYS HA . 31279 1 162 . 1 . 1 20 20 LYS HB2 H 1 1.843 0.020 . 2 . . . . A 20 LYS HB2 . 31279 1 163 . 1 . 1 20 20 LYS HB3 H 1 1.843 0.020 . 2 . . . . A 20 LYS HB3 . 31279 1 164 . 1 . 1 20 20 LYS HG2 H 1 1.443 0.020 . 2 . . . . A 20 LYS HG2 . 31279 1 165 . 1 . 1 20 20 LYS HG3 H 1 1.443 0.020 . 2 . . . . A 20 LYS HG3 . 31279 1 166 . 1 . 1 20 20 LYS HD2 H 1 1.444 0.020 . 2 . . . . A 20 LYS HD2 . 31279 1 167 . 1 . 1 20 20 LYS HD3 H 1 1.444 0.020 . 2 . . . . A 20 LYS HD3 . 31279 1 168 . 1 . 1 20 20 LYS HE2 H 1 3.151 0.020 . 2 . . . . A 20 LYS HE2 . 31279 1 169 . 1 . 1 20 20 LYS HE3 H 1 3.034 0.020 . 2 . . . . A 20 LYS HE3 . 31279 1 170 . 1 . 1 20 20 LYS HZ1 H 1 7.789 0.020 . 1 . . . . A 20 LYS HZ2 . 31279 1 171 . 1 . 1 20 20 LYS HZ2 H 1 7.789 0.020 . 1 . . . . A 20 LYS HZ2 . 31279 1 172 . 1 . 1 20 20 LYS HZ3 H 1 7.789 0.020 . 1 . . . . A 20 LYS HZ2 . 31279 1 173 . 1 . 1 20 20 LYS CA C 13 59.605 0.400 . 1 . . . . A 20 LYS CA . 31279 1 174 . 1 . 1 20 20 LYS CB C 13 32.138 0.400 . 1 . . . . A 20 LYS CB . 31279 1 175 . 1 . 1 20 20 LYS CG C 13 26.039 0.400 . 1 . . . . A 20 LYS CG . 31279 1 176 . 1 . 1 20 20 LYS CD C 13 30.573 0.400 . 1 . . . . A 20 LYS CD . 31279 1 177 . 1 . 1 20 20 LYS CE C 13 41.840 0.400 . 1 . . . . A 20 LYS CE . 31279 1 178 . 1 . 1 21 21 GLU H H 1 8.129 0.020 . 1 . . . . A 21 GLU H . 31279 1 179 . 1 . 1 21 21 GLU HA H 1 4.098 0.020 . 1 . . . . A 21 GLU HA . 31279 1 180 . 1 . 1 21 21 GLU HB2 H 1 2.152 0.020 . 2 . . . . A 21 GLU HB2 . 31279 1 181 . 1 . 1 21 21 GLU HB3 H 1 2.095 0.020 . 2 . . . . A 21 GLU HB3 . 31279 1 182 . 1 . 1 21 21 GLU HG2 H 1 2.432 0.020 . 2 . . . . A 21 GLU HG2 . 31279 1 183 . 1 . 1 21 21 GLU HG3 H 1 2.305 0.020 . 2 . . . . A 21 GLU HG3 . 31279 1 184 . 1 . 1 21 21 GLU CA C 13 59.245 0.400 . 1 . . . . A 21 GLU CA . 31279 1 185 . 1 . 1 21 21 GLU CB C 13 29.468 0.400 . 1 . . . . A 21 GLU CB . 31279 1 186 . 1 . 1 21 21 GLU CG C 13 36.648 0.400 . 1 . . . . A 21 GLU CG . 31279 1 187 . 1 . 1 22 22 PHE H H 1 8.110 0.020 . 1 . . . . A 22 PHE H . 31279 1 188 . 1 . 1 22 22 PHE HA H 1 4.310 0.020 . 1 . . . . A 22 PHE HA . 31279 1 189 . 1 . 1 22 22 PHE HB2 H 1 3.151 0.020 . 2 . . . . A 22 PHE HB2 . 31279 1 190 . 1 . 1 22 22 PHE HB3 H 1 3.151 0.020 . 2 . . . . A 22 PHE HB3 . 31279 1 191 . 1 . 1 22 22 PHE HD1 H 1 7.017 0.020 . 1 . . . . A 22 PHE HD1 . 31279 1 192 . 1 . 1 22 22 PHE HD2 H 1 7.017 0.020 . 1 . . . . A 22 PHE HD2 . 31279 1 193 . 1 . 1 22 22 PHE HE1 H 1 7.122 0.020 . 1 . . . . A 22 PHE HE1 . 31279 1 194 . 1 . 1 22 22 PHE HE2 H 1 7.122 0.020 . 1 . . . . A 22 PHE HE2 . 31279 1 195 . 1 . 1 22 22 PHE HZ H 1 7.125 0.020 . 1 . . . . A 22 PHE HZ . 31279 1 196 . 1 . 1 22 22 PHE CA C 13 57.241 0.400 . 1 . . . . A 22 PHE CA . 31279 1 197 . 1 . 1 22 22 PHE CB C 13 39.381 0.400 . 1 . . . . A 22 PHE CB . 31279 1 198 . 1 . 1 22 22 PHE CD1 C 13 131.870 0.400 . 3 . . . . A 22 PHE CD1 . 31279 1 199 . 1 . 1 22 22 PHE CE1 C 13 130.799 0.400 . 3 . . . . A 22 PHE CE1 . 31279 1 200 . 1 . 1 22 22 PHE CZ C 13 129.342 0.400 . 1 . . . . A 22 PHE CZ . 31279 1 201 . 1 . 1 23 23 ILE H H 1 8.215 0.020 . 1 . . . . A 23 ILE H . 31279 1 202 . 1 . 1 23 23 ILE HA H 1 3.513 0.020 . 1 . . . . A 23 ILE HA . 31279 1 203 . 1 . 1 23 23 ILE HB H 1 1.973 0.020 . 1 . . . . A 23 ILE HB . 31279 1 204 . 1 . 1 23 23 ILE HG12 H 1 1.258 0.020 . 2 . . . . A 23 ILE HG12 . 31279 1 205 . 1 . 1 23 23 ILE HG13 H 1 1.790 0.020 . 2 . . . . A 23 ILE HG13 . 31279 1 206 . 1 . 1 23 23 ILE HG21 H 1 0.877 0.020 . 1 . . . . A 23 ILE HG21 . 31279 1 207 . 1 . 1 23 23 ILE HG22 H 1 0.877 0.020 . 1 . . . . A 23 ILE HG22 . 31279 1 208 . 1 . 1 23 23 ILE HG23 H 1 0.877 0.020 . 1 . . . . A 23 ILE HG23 . 31279 1 209 . 1 . 1 23 23 ILE HD11 H 1 0.827 0.020 . 1 . . . . A 23 ILE HD11 . 31279 1 210 . 1 . 1 23 23 ILE HD12 H 1 0.827 0.020 . 1 . . . . A 23 ILE HD12 . 31279 1 211 . 1 . 1 23 23 ILE HD13 H 1 0.827 0.020 . 1 . . . . A 23 ILE HD13 . 31279 1 212 . 1 . 1 23 23 ILE CA C 13 64.604 0.400 . 1 . . . . A 23 ILE CA . 31279 1 213 . 1 . 1 23 23 ILE CB C 13 37.351 0.400 . 1 . . . . A 23 ILE CB . 31279 1 214 . 1 . 1 23 23 ILE CG1 C 13 29.230 0.400 . 1 . . . . A 23 ILE CG1 . 31279 1 215 . 1 . 1 23 23 ILE CG2 C 13 17.950 0.400 . 1 . . . . A 23 ILE CG2 . 31279 1 216 . 1 . 1 23 23 ILE CD1 C 13 12.830 0.400 . 1 . . . . A 23 ILE CD1 . 31279 1 217 . 1 . 1 24 24 ALA H H 1 8.047 0.020 . 1 . . . . A 24 ALA H . 31279 1 218 . 1 . 1 24 24 ALA HA H 1 3.972 0.020 . 1 . . . . A 24 ALA HA . 31279 1 219 . 1 . 1 24 24 ALA HB1 H 1 1.486 0.020 . 1 . . . . A 24 ALA HB1 . 31279 1 220 . 1 . 1 24 24 ALA HB2 H 1 1.486 0.020 . 1 . . . . A 24 ALA HB2 . 31279 1 221 . 1 . 1 24 24 ALA HB3 H 1 1.486 0.020 . 1 . . . . A 24 ALA HB3 . 31279 1 222 . 1 . 1 24 24 ALA CA C 13 55.242 0.400 . 1 . . . . A 24 ALA CA . 31279 1 223 . 1 . 1 24 24 ALA CB C 13 18.128 0.400 . 1 . . . . A 24 ALA CB . 31279 1 224 . 1 . 1 25 25 TRP H H 1 7.885 0.020 . 1 . . . . A 25 TRP H . 31279 1 225 . 1 . 1 25 25 TRP HA H 1 4.131 0.020 . 1 . . . . A 25 TRP HA . 31279 1 226 . 1 . 1 25 25 TRP HB2 H 1 3.501 0.020 . 2 . . . . A 25 TRP HB2 . 31279 1 227 . 1 . 1 25 25 TRP HB3 H 1 3.242 0.020 . 2 . . . . A 25 TRP HB3 . 31279 1 228 . 1 . 1 25 25 TRP HD1 H 1 7.161 0.020 . 1 . . . . A 25 TRP HD1 . 31279 1 229 . 1 . 1 25 25 TRP HE1 H 1 10.086 0.020 . 1 . . . . A 25 TRP HE1 . 31279 1 230 . 1 . 1 25 25 TRP HE3 H 1 7.209 0.020 . 1 . . . . A 25 TRP HE3 . 31279 1 231 . 1 . 1 25 25 TRP HZ2 H 1 7.360 0.020 . 1 . . . . A 25 TRP HZ2 . 31279 1 232 . 1 . 1 25 25 TRP HZ3 H 1 6.836 0.020 . 1 . . . . A 25 TRP HZ3 . 31279 1 233 . 1 . 1 25 25 TRP HH2 H 1 7.026 0.020 . 1 . . . . A 25 TRP HH2 . 31279 1 234 . 1 . 1 25 25 TRP CA C 13 57.626 0.400 . 1 . . . . A 25 TRP CA . 31279 1 235 . 1 . 1 25 25 TRP CB C 13 28.432 0.400 . 1 . . . . A 25 TRP CB . 31279 1 236 . 1 . 1 25 25 TRP CD1 C 13 127.081 0.400 . 1 . . . . A 25 TRP CD1 . 31279 1 237 . 1 . 1 25 25 TRP CE3 C 13 120.664 0.400 . 1 . . . . A 25 TRP CE3 . 31279 1 238 . 1 . 1 25 25 TRP CZ2 C 13 114.419 0.400 . 1 . . . . A 25 TRP CZ2 . 31279 1 239 . 1 . 1 25 25 TRP CZ3 C 13 121.708 0.400 . 1 . . . . A 25 TRP CZ3 . 31279 1 240 . 1 . 1 25 25 TRP CH2 C 13 123.907 0.400 . 1 . . . . A 25 TRP CH2 . 31279 1 241 . 1 . 1 26 26 LEU H H 1 8.072 0.020 . 1 . . . . A 26 LEU H . 31279 1 242 . 1 . 1 26 26 LEU HA H 1 3.423 0.020 . 1 . . . . A 26 LEU HA . 31279 1 243 . 1 . 1 26 26 LEU HB2 H 1 1.647 0.020 . 2 . . . . A 26 LEU HB2 . 31279 1 244 . 1 . 1 26 26 LEU HB3 H 1 1.362 0.020 . 2 . . . . A 26 LEU HB3 . 31279 1 245 . 1 . 1 26 26 LEU HG H 1 1.440 0.020 . 1 . . . . A 26 LEU HG . 31279 1 246 . 1 . 1 26 26 LEU HD11 H 1 0.669 0.020 . 2 . . . . A 26 LEU HD11 . 31279 1 247 . 1 . 1 26 26 LEU HD12 H 1 0.669 0.020 . 2 . . . . A 26 LEU HD12 . 31279 1 248 . 1 . 1 26 26 LEU HD13 H 1 0.669 0.020 . 2 . . . . A 26 LEU HD13 . 31279 1 249 . 1 . 1 26 26 LEU HD21 H 1 0.677 0.020 . 2 . . . . A 26 LEU HD21 . 31279 1 250 . 1 . 1 26 26 LEU HD22 H 1 0.677 0.020 . 2 . . . . A 26 LEU HD22 . 31279 1 251 . 1 . 1 26 26 LEU HD23 H 1 0.677 0.020 . 2 . . . . A 26 LEU HD23 . 31279 1 252 . 1 . 1 26 26 LEU CA C 13 57.685 0.400 . 1 . . . . A 26 LEU CA . 31279 1 253 . 1 . 1 26 26 LEU CB C 13 42.553 0.400 . 1 . . . . A 26 LEU CB . 31279 1 254 . 1 . 1 26 26 LEU CG C 13 25.882 0.400 . 1 . . . . A 26 LEU CG . 31279 1 255 . 1 . 1 26 26 LEU CD1 C 13 25.557 0.400 . 2 . . . . A 26 LEU CD1 . 31279 1 256 . 1 . 1 26 26 LEU CD2 C 13 24.455 0.400 . 2 . . . . A 26 LEU CD2 . 31279 1 257 . 1 . 1 27 27 VAL H H 1 7.847 0.020 . 1 . . . . A 27 VAL H . 31279 1 258 . 1 . 1 27 27 VAL HA H 1 3.836 0.020 . 1 . . . . A 27 VAL HA . 31279 1 259 . 1 . 1 27 27 VAL HB H 1 2.158 0.020 . 1 . . . . A 27 VAL HB . 31279 1 260 . 1 . 1 27 27 VAL HG11 H 1 0.908 0.020 . 2 . . . . A 27 VAL HG11 . 31279 1 261 . 1 . 1 27 27 VAL HG12 H 1 0.908 0.020 . 2 . . . . A 27 VAL HG12 . 31279 1 262 . 1 . 1 27 27 VAL HG13 H 1 0.908 0.020 . 2 . . . . A 27 VAL HG13 . 31279 1 263 . 1 . 1 27 27 VAL HG21 H 1 0.824 0.020 . 2 . . . . A 27 VAL HG21 . 31279 1 264 . 1 . 1 27 27 VAL HG22 H 1 0.824 0.020 . 2 . . . . A 27 VAL HG22 . 31279 1 265 . 1 . 1 27 27 VAL HG23 H 1 0.824 0.020 . 2 . . . . A 27 VAL HG23 . 31279 1 266 . 1 . 1 27 27 VAL CA C 13 63.667 0.400 . 1 . . . . A 27 VAL CA . 31279 1 267 . 1 . 1 27 27 VAL CB C 13 31.940 0.400 . 1 . . . . A 27 VAL CB . 31279 1 268 . 1 . 1 27 27 VAL CG1 C 13 20.972 0.400 . 2 . . . . A 27 VAL CG1 . 31279 1 269 . 1 . 1 27 27 VAL CG2 C 13 21.448 0.400 . 2 . . . . A 27 VAL CG2 . 31279 1 270 . 1 . 1 28 28 ARG H H 1 7.692 0.020 . 1 . . . . A 28 ARG H . 31279 1 271 . 1 . 1 28 28 ARG HA H 1 4.196 0.020 . 1 . . . . A 28 ARG HA . 31279 1 272 . 1 . 1 28 28 ARG HB2 H 1 1.858 0.020 . 2 . . . . A 28 ARG HB2 . 31279 1 273 . 1 . 1 28 28 ARG HB3 H 1 1.789 0.020 . 2 . . . . A 28 ARG HB3 . 31279 1 274 . 1 . 1 28 28 ARG HG2 H 1 1.594 0.020 . 2 . . . . A 28 ARG HG2 . 31279 1 275 . 1 . 1 28 28 ARG HG3 H 1 1.599 0.020 . 2 . . . . A 28 ARG HG3 . 31279 1 276 . 1 . 1 28 28 ARG HD2 H 1 3.078 0.020 . 2 . . . . A 28 ARG HD2 . 31279 1 277 . 1 . 1 28 28 ARG HD3 H 1 3.078 0.020 . 2 . . . . A 28 ARG HD3 . 31279 1 278 . 1 . 1 28 28 ARG CA C 13 57.357 0.400 . 1 . . . . A 28 ARG CA . 31279 1 279 . 1 . 1 28 28 ARG CB C 13 30.582 0.400 . 1 . . . . A 28 ARG CB . 31279 1 280 . 1 . 1 28 28 ARG CG C 13 27.141 0.400 . 1 . . . . A 28 ARG CG . 31279 1 281 . 1 . 1 28 28 ARG CD C 13 43.548 0.400 . 1 . . . . A 28 ARG CD . 31279 1 282 . 1 . 1 29 29 GLY H H 1 8.042 0.020 . 1 . . . . A 29 GLY H . 31279 1 283 . 1 . 1 29 29 GLY HA2 H 1 3.769 0.020 . 2 . . . . A 29 GLY HA2 . 31279 1 284 . 1 . 1 29 29 GLY HA3 H 1 3.769 0.020 . 2 . . . . A 29 GLY HA3 . 31279 1 285 . 1 . 1 29 29 GLY CA C 13 45.839 0.400 . 1 . . . . A 29 GLY CA . 31279 1 286 . 1 . 1 30 30 ARG H H 1 7.926 0.020 . 1 . . . . A 30 ARG H . 31279 1 287 . 1 . 1 30 30 ARG HA H 1 4.069 0.020 . 1 . . . . A 30 ARG HA . 31279 1 288 . 1 . 1 30 30 ARG HB2 H 1 1.760 0.020 . 2 . . . . A 30 ARG HB2 . 31279 1 289 . 1 . 1 30 30 ARG HB3 H 1 1.630 0.020 . 2 . . . . A 30 ARG HB3 . 31279 1 290 . 1 . 1 30 30 ARG HG2 H 1 1.428 0.020 . 2 . . . . A 30 ARG HG2 . 31279 1 291 . 1 . 1 30 30 ARG HG3 H 1 1.343 0.020 . 2 . . . . A 30 ARG HG3 . 31279 1 292 . 1 . 1 30 30 ARG HD2 H 1 2.927 0.020 . 2 . . . . A 30 ARG HD2 . 31279 1 293 . 1 . 1 30 30 ARG HD3 H 1 2.927 0.020 . 2 . . . . A 30 ARG HD3 . 31279 1 294 . 1 . 1 30 30 ARG CA C 13 56.163 0.400 . 1 . . . . A 30 ARG CA . 31279 1 295 . 1 . 1 30 30 ARG CB C 13 30.614 0.400 . 1 . . . . A 30 ARG CB . 31279 1 296 . 1 . 1 30 30 ARG CG C 13 27.008 0.400 . 1 . . . . A 30 ARG CG . 31279 1 297 . 1 . 1 30 30 ARG CD C 13 43.344 0.400 . 1 . . . . A 30 ARG CD . 31279 1 298 . 1 . 1 31 31 GLY H H 1 7.864 0.020 . 1 . . . . A 31 GLY H . 31279 1 299 . 1 . 1 31 31 GLY HA2 H 1 3.725 0.020 . 2 . . . . A 31 GLY HA2 . 31279 1 300 . 1 . 1 31 31 GLY HA3 H 1 3.725 0.020 . 2 . . . . A 31 GLY HA3 . 31279 1 301 . 1 . 1 31 31 GLY CA C 13 46.290 0.400 . 1 . . . . A 31 GLY CA . 31279 1 302 . 2 . 2 1 1 PLM H21 H 1 2.123 0.020 . 1 . . . . A 101 PLM H21 . 31279 1 303 . 2 . 2 1 1 PLM H22 H 1 2.117 0.020 . 1 . . . . A 101 PLM H22 . 31279 1 304 . 2 . 2 1 1 PLM H31 H 1 1.449 0.020 . 1 . . . . A 101 PLM H31 . 31279 1 305 . 2 . 2 1 1 PLM H41 H 1 1.139 0.020 . 1 . . . . A 101 PLM H41 . 31279 1 306 . 2 . 2 1 1 PLM H51 H 1 1.199 0.020 . 1 . . . . A 101 PLM H51 . 31279 1 307 . 2 . 2 1 1 PLM H61 H 1 1.149 0.020 . 1 . . . . A 101 PLM H61 . 31279 1 308 . 2 . 2 1 1 PLM H71 H 1 1.195 0.020 . 1 . . . . A 101 PLM H71 . 31279 1 309 . 2 . 2 1 1 PLM H81 H 1 1.151 0.020 . 1 . . . . A 101 PLM H81 . 31279 1 310 . 2 . 2 1 1 PLM H91 H 1 1.188 0.020 . 1 . . . . A 101 PLM H91 . 31279 1 311 . 2 . 2 1 1 PLM HA1 H 1 1.169 0.020 . 1 . . . . A 101 PLM HA1 . 31279 1 312 . 2 . 2 1 1 PLM HB1 H 1 1.182 0.020 . 1 . . . . A 101 PLM HB1 . 31279 1 313 . 2 . 2 1 1 PLM HC1 H 1 1.172 0.020 . 1 . . . . A 101 PLM HC1 . 31279 1 314 . 2 . 2 1 1 PLM HD1 H 1 1.176 0.020 . 1 . . . . A 101 PLM HD1 . 31279 1 315 . 2 . 2 1 1 PLM HE1 H 1 1.189 0.020 . 1 . . . . A 101 PLM HE1 . 31279 1 316 . 2 . 2 1 1 PLM HF1 H 1 1.226 0.020 . 1 . . . . A 101 PLM HF1 . 31279 1 317 . 2 . 2 1 1 PLM HG1 H 1 0.829 0.020 . 1 . . . . A 101 PLM HG1 . 31279 1 318 . 2 . 2 1 1 PLM HG2 H 1 0.829 0.020 . 1 . . . . A 101 PLM HG2 . 31279 1 319 . 2 . 2 1 1 PLM HG3 H 1 0.829 0.020 . 1 . . . . A 101 PLM HG3 . 31279 1 320 . 2 . 2 1 1 PLM C2 C 13 38.809 0.400 . 1 . . . . A 101 PLM C2 . 31279 1 321 . 2 . 2 1 1 PLM C3 C 13 28.372 0.400 . 1 . . . . A 101 PLM C3 . 31279 1 322 . 2 . 2 1 1 PLM C4 C 13 32.153 0.400 . 1 . . . . A 101 PLM C4 . 31279 1 323 . 2 . 2 1 1 PLM C5 C 13 32.177 0.400 . 1 . . . . A 101 PLM C5 . 31279 1 324 . 2 . 2 1 1 PLM C6 C 13 32.256 0.400 . 1 . . . . A 101 PLM C6 . 31279 1 325 . 2 . 2 1 1 PLM C7 C 13 32.252 0.400 . 1 . . . . A 101 PLM C7 . 31279 1 326 . 2 . 2 1 1 PLM C8 C 13 32.312 0.400 . 1 . . . . A 101 PLM C8 . 31279 1 327 . 2 . 2 1 1 PLM C9 C 13 32.180 0.400 . 1 . . . . A 101 PLM C9 . 31279 1 328 . 2 . 2 1 1 PLM CA C 13 32.312 0.400 . 1 . . . . A 101 PLM CA . 31279 1 329 . 2 . 2 1 1 PLM CB C 13 32.324 0.400 . 1 . . . . A 101 PLM CB . 31279 1 330 . 2 . 2 1 1 PLM CC C 13 32.216 0.400 . 1 . . . . A 101 PLM CC . 31279 1 331 . 2 . 2 1 1 PLM CD C 13 32.252 0.400 . 1 . . . . A 101 PLM CD . 31279 1 332 . 2 . 2 1 1 PLM CE C 13 34.432 0.400 . 1 . . . . A 101 PLM CE . 31279 1 333 . 2 . 2 1 1 PLM CF C 13 25.313 0.400 . 1 . . . . A 101 PLM CF . 31279 1 334 . 2 . 2 1 1 PLM CG C 13 16.688 0.400 . 1 . . . . A 101 PLM CG . 31279 1 335 . 3 . 3 1 1 GGL H H 1 7.523 0.020 . 1 . . . . A 102 GGL H . 31279 1 336 . 3 . 3 1 1 GGL HA H 1 4.144 0.020 . 1 . . . . A 102 GGL HA . 31279 1 337 . 3 . 3 1 1 GGL HB2 H 1 1.857 0.020 . 1 . . . . A 102 GGL HB2 . 31279 1 338 . 3 . 3 1 1 GGL HB3 H 1 2.073 0.020 . 1 . . . . A 102 GGL HB3 . 31279 1 339 . 3 . 3 1 1 GGL HG2 H 1 2.187 0.020 . 1 . . . . A 102 GGL HG2 . 31279 1 340 . 3 . 3 1 1 GGL HG3 H 1 2.182 0.020 . 1 . . . . A 102 GGL HG3 . 31279 1 341 . 3 . 3 1 1 GGL CA C 13 57.458 0.400 . 1 . . . . A 102 GGL CA . 31279 1 342 . 3 . 3 1 1 GGL CB C 13 30.996 0.400 . 1 . . . . A 102 GGL CB . 31279 1 343 . 3 . 3 1 1 GGL CG C 13 35.483 0.400 . 1 . . . . A 102 GGL CG . 31279 1 stop_ save_