################################### # 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 34763 _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-15N HSQC' . . . 34763 1 2 '2D 1H-13C HSQC' . . . 34763 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 C C 13 173.163 0.00 . 1 . . . . A 1 ASP C . 34763 1 2 . 1 . 1 1 1 ASP CA C 13 53.392 0.00 . 1 . . . . A 1 ASP CA . 34763 1 3 . 1 . 1 1 1 ASP CB C 13 40.112 0.00 . 1 . . . . A 1 ASP CB . 34763 1 4 . 1 . 1 1 1 ASP CG C 13 179.031 0.00 . 1 . . . . A 1 ASP CG . 34763 1 5 . 1 . 1 2 2 ALA C C 13 177.306 0.00 . 1 . . . . A 2 ALA C . 34763 1 6 . 1 . 1 2 2 ALA CA C 13 52.221 0.00 . 1 . . . . A 2 ALA CA . 34763 1 7 . 1 . 1 2 2 ALA N N 15 123.921 0.00 . 1 . . . . A 2 ALA N . 34763 1 8 . 1 . 1 3 3 GLU H H 1 8.498 0.00 . 1 . . . . A 3 GLU H . 34763 1 9 . 1 . 1 3 3 GLU N N 15 120.393 0.00 . 1 . . . . A 3 GLU N . 34763 1 10 . 1 . 1 4 4 PHE H H 1 8.362 0.00 . 1 . . . . A 4 PHE H . 34763 1 11 . 1 . 1 4 4 PHE C C 13 175.334 0.00 . 1 . . . . A 4 PHE C . 34763 1 12 . 1 . 1 4 4 PHE CA C 13 57.448 0.00 . 1 . . . . A 4 PHE CA . 34763 1 13 . 1 . 1 4 4 PHE CB C 13 38.806 0.00 . 1 . . . . A 4 PHE CB . 34763 1 14 . 1 . 1 4 4 PHE N N 15 122.039 0.00 . 1 . . . . A 4 PHE N . 34763 1 15 . 1 . 1 5 5 ARG H H 1 7.765 0.00 . 1 . . . . A 5 ARG H . 34763 1 16 . 1 . 1 5 5 ARG C C 13 175.570 0.00 . 1 . . . . A 5 ARG C . 34763 1 17 . 1 . 1 5 5 ARG CA C 13 55.440 0.00 . 1 . . . . A 5 ARG CA . 34763 1 18 . 1 . 1 5 5 ARG CB C 13 30.922 0.00 . 1 . . . . A 5 ARG CB . 34763 1 19 . 1 . 1 5 5 ARG N N 15 123.975 0.00 . 1 . . . . A 5 ARG N . 34763 1 20 . 1 . 1 6 6 HIS C C 13 175.102 0.00 . 1 . . . . A 6 HIS C . 34763 1 21 . 1 . 1 6 6 HIS CA C 13 56.070 0.00 . 1 . . . . A 6 HIS CA . 34763 1 22 . 1 . 1 6 6 HIS CB C 13 29.721 0.00 . 1 . . . . A 6 HIS CB . 34763 1 23 . 1 . 1 7 7 ASP C C 13 176.352 0.00 . 1 . . . . A 7 ASP C . 34763 1 24 . 1 . 1 7 7 ASP CA C 13 54.050 0.00 . 1 . . . . A 7 ASP CA . 34763 1 25 . 1 . 1 7 7 ASP CB C 13 40.706 0.00 . 1 . . . . A 7 ASP CB . 34763 1 26 . 1 . 1 7 7 ASP N N 15 121.862 0.00 . 1 . . . . A 7 ASP N . 34763 1 27 . 1 . 1 8 8 SER H H 1 8.458 0.00 . 1 . . . . A 8 SER H . 34763 1 28 . 1 . 1 8 8 SER C C 13 175.161 0.00 . 1 . . . . A 8 SER C . 34763 1 29 . 1 . 1 8 8 SER CA C 13 58.831 0.00 . 1 . . . . A 8 SER CA . 34763 1 30 . 1 . 1 8 8 SER CB C 13 63.402 0.00 . 1 . . . . A 8 SER CB . 34763 1 31 . 1 . 1 8 8 SER N N 15 116.724 0.00 . 1 . . . . A 8 SER N . 34763 1 32 . 1 . 1 9 9 GLY H H 1 8.575 0.00 . 1 . . . . A 9 GLY H . 34763 1 33 . 1 . 1 9 9 GLY C C 13 174.037 0.00 . 1 . . . . A 9 GLY C . 34763 1 34 . 1 . 1 9 9 GLY CA C 13 45.157 0.00 . 1 . . . . A 9 GLY CA . 34763 1 35 . 1 . 1 9 9 GLY N N 15 111.028 0.00 . 1 . . . . A 9 GLY N . 34763 1 36 . 1 . 1 10 10 TYR H H 1 7.988 0.00 . 1 . . . . A 10 TYR H . 34763 1 37 . 1 . 1 10 10 TYR C C 13 175.783 0.00 . 1 . . . . A 10 TYR C . 34763 1 38 . 1 . 1 10 10 TYR CA C 13 57.899 0.00 . 1 . . . . A 10 TYR CA . 34763 1 39 . 1 . 1 10 10 TYR CB C 13 38.598 0.00 . 1 . . . . A 10 TYR CB . 34763 1 40 . 1 . 1 10 10 TYR CD1 C 13 133.113 0.00 . 1 . . . . A 10 TYR CD1 . 34763 1 41 . 1 . 1 10 10 TYR CE2 C 13 118.136 0.00 . 1 . . . . A 10 TYR CE2 . 34763 1 42 . 1 . 1 10 10 TYR N N 15 120.335 0.00 . 1 . . . . A 10 TYR N . 34763 1 43 . 1 . 1 11 11 GLU H H 1 8.423 0.00 . 1 . . . . A 11 GLU H . 34763 1 44 . 1 . 1 11 11 GLU C C 13 176.207 0.00 . 1 . . . . A 11 GLU C . 34763 1 45 . 1 . 1 11 11 GLU N N 15 122.749 0.00 . 1 . . . . A 11 GLU N . 34763 1 46 . 1 . 1 12 12 VAL H H 1 8.119 0.00 . 1 . . . . A 12 VAL H . 34763 1 47 . 1 . 1 12 12 VAL C C 13 176.018 0.00 . 1 . . . . A 12 VAL C . 34763 1 48 . 1 . 1 12 12 VAL CA C 13 62.756 0.00 . 1 . . . . A 12 VAL CA . 34763 1 49 . 1 . 1 12 12 VAL N N 15 121.381 0.00 . 1 . . . . A 12 VAL N . 34763 1 50 . 1 . 1 14 14 HIS C C 13 175.196 0.00 . 1 . . . . A 14 HIS C . 34763 1 51 . 1 . 1 14 14 HIS CA C 13 56.255 0.00 . 1 . . . . A 14 HIS CA . 34763 1 52 . 1 . 1 15 15 GLN H H 1 8.437 0.00 . 1 . . . . A 15 GLN H . 34763 1 53 . 1 . 1 15 15 GLN C C 13 175.691 0.00 . 1 . . . . A 15 GLN C . 34763 1 54 . 1 . 1 15 15 GLN CA C 13 55.570 0.00 . 1 . . . . A 15 GLN CA . 34763 1 55 . 1 . 1 15 15 GLN CB C 13 29.089 0.00 . 1 . . . . A 15 GLN CB . 34763 1 56 . 1 . 1 15 15 GLN CG C 13 33.478 0.00 . 1 . . . . A 15 GLN CG . 34763 1 57 . 1 . 1 15 15 GLN CD C 13 180.401 0.00 . 1 . . . . A 15 GLN CD . 34763 1 58 . 1 . 1 15 15 GLN N N 15 121.549 0.00 . 1 . . . . A 15 GLN N . 34763 1 59 . 1 . 1 15 15 GLN NE2 N 15 112.896 0.00 . 1 . . . . A 15 GLN NE2 . 34763 1 60 . 1 . 1 16 16 LYS H H 1 8.436 0.00 . 1 . . . . A 16 LYS H . 34763 1 61 . 1 . 1 16 16 LYS C C 13 176.188 0.00 . 1 . . . . A 16 LYS C . 34763 1 62 . 1 . 1 16 16 LYS N N 15 123.155 0.00 . 1 . . . . A 16 LYS N . 34763 1 63 . 1 . 1 17 17 LEU H H 1 8.305 0.00 . 1 . . . . A 17 LEU H . 34763 1 64 . 1 . 1 17 17 LEU C C 13 176.769 0.00 . 1 . . . . A 17 LEU C . 34763 1 65 . 1 . 1 17 17 LEU CA C 13 54.875 0.00 . 1 . . . . A 17 LEU CA . 34763 1 66 . 1 . 1 17 17 LEU CB C 13 42.141 0.00 . 1 . . . . A 17 LEU CB . 34763 1 67 . 1 . 1 17 17 LEU N N 15 124.310 0.00 . 1 . . . . A 17 LEU N . 34763 1 68 . 1 . 1 18 18 VAL H H 1 8.043 0.00 . 1 . . . . A 18 VAL H . 34763 1 69 . 1 . 1 18 18 VAL C C 13 175.126 0.00 . 1 . . . . A 18 VAL C . 34763 1 70 . 1 . 1 18 18 VAL CA C 13 61.677 0.00 . 1 . . . . A 18 VAL CA . 34763 1 71 . 1 . 1 18 18 VAL CB C 13 32.960 0.00 . 1 . . . . A 18 VAL CB . 34763 1 72 . 1 . 1 18 18 VAL N N 15 121.697 0.00 . 1 . . . . A 18 VAL N . 34763 1 73 . 1 . 1 19 19 PHE H H 1 8.307 0.00 . 1 . . . . A 19 PHE H . 34763 1 74 . 1 . 1 19 19 PHE C C 13 174.818 0.00 . 1 . . . . A 19 PHE C . 34763 1 75 . 1 . 1 19 19 PHE N N 15 124.543 0.00 . 1 . . . . A 19 PHE N . 34763 1 76 . 1 . 1 20 20 PHE H H 1 8.273 0.00 . 1 . . . . A 20 PHE H . 34763 1 77 . 1 . 1 20 20 PHE C C 13 174.790 0.00 . 1 . . . . A 20 PHE C . 34763 1 78 . 1 . 1 20 20 PHE N N 15 123.235 0.00 . 1 . . . . A 20 PHE N . 34763 1 79 . 1 . 1 21 21 ALA H H 1 8.291 0.00 . 1 . . . . A 21 ALA H . 34763 1 80 . 1 . 1 21 21 ALA N N 15 126.399 0.00 . 1 . . . . A 21 ALA N . 34763 1 81 . 1 . 1 22 22 GLU H H 1 8.409 0.00 . 1 . . . . A 22 GLU H . 34763 1 82 . 1 . 1 22 22 GLU N N 15 120.150 0.00 . 1 . . . . A 22 GLU N . 34763 1 83 . 1 . 1 23 23 ASP H H 1 8.473 0.00 . 1 . . . . A 23 ASP H . 34763 1 84 . 1 . 1 23 23 ASP C C 13 176.639 0.00 . 1 . . . . A 23 ASP C . 34763 1 85 . 1 . 1 23 23 ASP CA C 13 53.931 0.00 . 1 . . . . A 23 ASP CA . 34763 1 86 . 1 . 1 23 23 ASP CB C 13 40.758 0.00 . 1 . . . . A 23 ASP CB . 34763 1 87 . 1 . 1 23 23 ASP N N 15 121.981 0.00 . 1 . . . . A 23 ASP N . 34763 1 88 . 1 . 1 24 24 VAL H H 1 8.209 0.00 . 1 . . . . A 24 VAL H . 34763 1 89 . 1 . 1 24 24 VAL C C 13 177.133 0.00 . 1 . . . . A 24 VAL C . 34763 1 90 . 1 . 1 24 24 VAL CA C 13 62.607 0.00 . 1 . . . . A 24 VAL CA . 34763 1 91 . 1 . 1 24 24 VAL CB C 13 32.250 0.00 . 1 . . . . A 24 VAL CB . 34763 1 92 . 1 . 1 24 24 VAL N N 15 120.925 0.00 . 1 . . . . A 24 VAL N . 34763 1 93 . 1 . 1 25 25 GLY H H 1 8.598 0.00 . 1 . . . . A 25 GLY H . 34763 1 94 . 1 . 1 25 25 GLY C C 13 174.566 0.00 . 1 . . . . A 25 GLY C . 34763 1 95 . 1 . 1 25 25 GLY N N 15 112.029 0.00 . 1 . . . . A 25 GLY N . 34763 1 96 . 1 . 1 26 26 SER H H 1 8.186 0.00 . 1 . . . . A 26 SER H . 34763 1 97 . 1 . 1 26 26 SER C C 13 174.522 0.00 . 1 . . . . A 26 SER C . 34763 1 98 . 1 . 1 26 26 SER CA C 13 58.320 0.00 . 1 . . . . A 26 SER CA . 34763 1 99 . 1 . 1 26 26 SER CB C 13 63.489 0.00 . 1 . . . . A 26 SER CB . 34763 1 100 . 1 . 1 26 26 SER N N 15 115.680 0.00 . 1 . . . . A 26 SER N . 34763 1 101 . 1 . 1 27 27 ASN H H 1 8.524 0.00 . 1 . . . . A 27 ASN H . 34763 1 102 . 1 . 1 27 27 ASN C C 13 175.496 0.00 . 1 . . . . A 27 ASN C . 34763 1 103 . 1 . 1 27 27 ASN CA C 13 53.053 0.00 . 1 . . . . A 27 ASN CA . 34763 1 104 . 1 . 1 27 27 ASN CB C 13 38.300 0.00 . 1 . . . . A 27 ASN CB . 34763 1 105 . 1 . 1 27 27 ASN CG C 13 177.328 0.00 . 1 . . . . A 27 ASN CG . 34763 1 106 . 1 . 1 27 27 ASN N N 15 120.714 0.00 . 1 . . . . A 27 ASN N . 34763 1 107 . 1 . 1 27 27 ASN ND2 N 15 113.294 0.00 . 1 . . . . A 27 ASN ND2 . 34763 1 108 . 1 . 1 28 28 LYS C C 13 177.216 0.00 . 1 . . . . A 28 LYS C . 34763 1 109 . 1 . 1 28 28 LYS CA C 13 56.557 0.00 . 1 . . . . A 28 LYS CA . 34763 1 110 . 1 . 1 28 28 LYS N N 15 121.937 0.00 . 1 . . . . A 28 LYS N . 34763 1 111 . 1 . 1 29 29 GLY H H 1 8.462 0.00 . 1 . . . . A 29 GLY H . 34763 1 112 . 1 . 1 29 29 GLY C C 13 173.778 0.00 . 1 . . . . A 29 GLY C . 34763 1 113 . 1 . 1 29 29 GLY N N 15 109.674 0.00 . 1 . . . . A 29 GLY N . 34763 1 114 . 1 . 1 30 30 ALA H H 1 8.077 0.00 . 1 . . . . A 30 ALA H . 34763 1 115 . 1 . 1 30 30 ALA C C 13 177.678 0.00 . 1 . . . . A 30 ALA C . 34763 1 116 . 1 . 1 30 30 ALA CA C 13 52.218 0.00 . 1 . . . . A 30 ALA CA . 34763 1 117 . 1 . 1 30 30 ALA CB C 13 19.118 0.00 . 1 . . . . A 30 ALA CB . 34763 1 118 . 1 . 1 30 30 ALA N N 15 123.802 0.00 . 1 . . . . A 30 ALA N . 34763 1 119 . 1 . 1 31 31 ILE H H 1 8.230 0.00 . 1 . . . . A 31 ILE H . 34763 1 120 . 1 . 1 31 31 ILE C C 13 176.494 0.00 . 1 . . . . A 31 ILE C . 34763 1 121 . 1 . 1 31 31 ILE CA C 13 60.852 0.00 . 1 . . . . A 31 ILE CA . 34763 1 122 . 1 . 1 31 31 ILE CB C 13 38.213 0.00 . 1 . . . . A 31 ILE CB . 34763 1 123 . 1 . 1 31 31 ILE N N 15 120.958 0.00 . 1 . . . . A 31 ILE N . 34763 1 124 . 1 . 1 32 32 ILE H H 1 8.335 0.00 . 1 . . . . A 32 ILE H . 34763 1 125 . 1 . 1 32 32 ILE C C 13 176.636 0.00 . 1 . . . . A 32 ILE C . 34763 1 126 . 1 . 1 32 32 ILE CA C 13 60.936 0.00 . 1 . . . . A 32 ILE CA . 34763 1 127 . 1 . 1 32 32 ILE CB C 13 38.349 0.00 . 1 . . . . A 32 ILE CB . 34763 1 128 . 1 . 1 32 32 ILE N N 15 126.436 0.00 . 1 . . . . A 32 ILE N . 34763 1 129 . 1 . 1 33 33 GLY H H 1 8.519 0.00 . 1 . . . . A 33 GLY H . 34763 1 130 . 1 . 1 33 33 GLY C C 13 173.734 0.00 . 1 . . . . A 33 GLY C . 34763 1 131 . 1 . 1 33 33 GLY N N 15 113.231 0.00 . 1 . . . . A 33 GLY N . 34763 1 132 . 1 . 1 34 34 LEU H H 1 8.101 0.00 . 1 . . . . A 34 LEU H . 34763 1 133 . 1 . 1 34 34 LEU C C 13 177.346 0.00 . 1 . . . . A 34 LEU C . 34763 1 134 . 1 . 1 34 34 LEU CA C 13 54.898 0.00 . 1 . . . . A 34 LEU CA . 34763 1 135 . 1 . 1 34 34 LEU CB C 13 42.354 0.00 . 1 . . . . A 34 LEU CB . 34763 1 136 . 1 . 1 34 34 LEU N N 15 121.880 0.00 . 1 . . . . A 34 LEU N . 34763 1 137 . 1 . 1 35 35 MET H H 1 8.498 0.00 . 1 . . . . A 35 MET H . 34763 1 138 . 1 . 1 35 35 MET C C 13 176.172 0.00 . 1 . . . . A 35 MET C . 34763 1 139 . 1 . 1 35 35 MET CA C 13 55.054 0.00 . 1 . . . . A 35 MET CA . 34763 1 140 . 1 . 1 35 35 MET N N 15 122.237 0.00 . 1 . . . . A 35 MET N . 34763 1 141 . 1 . 1 36 36 VAL H H 1 8.296 0.00 . 1 . . . . A 36 VAL H . 34763 1 142 . 1 . 1 36 36 VAL C C 13 176.711 0.00 . 1 . . . . A 36 VAL C . 34763 1 143 . 1 . 1 36 36 VAL CA C 13 62.313 0.00 . 1 . . . . A 36 VAL CA . 34763 1 144 . 1 . 1 36 36 VAL CB C 13 32.555 0.00 . 1 . . . . A 36 VAL CB . 34763 1 145 . 1 . 1 36 36 VAL N N 15 122.322 0.00 . 1 . . . . A 36 VAL N . 34763 1 146 . 1 . 1 37 37 GLY H H 1 8.648 0.00 . 1 . . . . A 37 GLY H . 34763 1 147 . 1 . 1 37 37 GLY C C 13 174.493 0.00 . 1 . . . . A 37 GLY C . 34763 1 148 . 1 . 1 37 37 GLY N N 15 113.307 0.00 . 1 . . . . A 37 GLY N . 34763 1 149 . 1 . 1 38 38 GLY H H 1 8.306 0.00 . 1 . . . . A 38 GLY H . 34763 1 150 . 1 . 1 38 38 GLY C C 13 173.756 0.00 . 1 . . . . A 38 GLY C . 34763 1 151 . 1 . 1 38 38 GLY N N 15 108.890 0.00 . 1 . . . . A 38 GLY N . 34763 1 152 . 1 . 1 39 39 VAL H H 1 8.127 0.00 . 1 . . . . A 39 VAL H . 34763 1 153 . 1 . 1 39 39 VAL C C 13 175.571 0.00 . 1 . . . . A 39 VAL C . 34763 1 154 . 1 . 1 39 39 VAL CA C 13 62.268 0.00 . 1 . . . . A 39 VAL CA . 34763 1 155 . 1 . 1 39 39 VAL CB C 13 32.660 0.00 . 1 . . . . A 39 VAL CB . 34763 1 156 . 1 . 1 39 39 VAL N N 15 120.099 0.00 . 1 . . . . A 39 VAL N . 34763 1 157 . 1 . 1 40 40 VAL H H 1 7.866 0.00 . 1 . . . . A 40 VAL H . 34763 1 158 . 1 . 1 40 40 VAL C C 13 181.032 0.00 . 1 . . . . A 40 VAL C . 34763 1 159 . 1 . 1 40 40 VAL CA C 13 63.541 0.00 . 1 . . . . A 40 VAL CA . 34763 1 160 . 1 . 1 40 40 VAL CB C 13 33.014 0.00 . 1 . . . . A 40 VAL CB . 34763 1 161 . 1 . 1 40 40 VAL N N 15 128.563 0.00 . 1 . . . . A 40 VAL N . 34763 1 stop_ save_