################################### # 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 52565 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Final Mouse CCL2-P8A' _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 '3D HNCO' . . . 52565 1 3 '3D HNCA' . . . 52565 1 4 '3D CBCA(CO)NH' . . . 52565 1 5 '3D HNCACB' . . . 52565 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 . . 52565 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 GLN H H 1 8.497 0.020 . 1 . . . . . 1 GLN H . 52565 1 2 . 1 . 1 1 1 GLN C C 13 173.723 0.3 . 1 . . . . . 1 GLN C . 52565 1 3 . 1 . 1 1 1 GLN CA C 13 57.163 0.3 . 1 . . . . . 1 GLN CA . 52565 1 4 . 1 . 1 1 1 GLN CB C 13 31.285 0.3 . 1 . . . . . 1 GLN CB . 52565 1 5 . 1 . 1 1 1 GLN N N 15 121.719 0.3 . 1 . . . . . 1 GLN N . 52565 1 6 . 1 . 1 3 3 ASP H H 1 8.310 0.020 . 1 . . . . . 3 ASP H . 52565 1 7 . 1 . 1 3 3 ASP C C 13 173.255 0.3 . 1 . . . . . 3 ASP C . 52565 1 8 . 1 . 1 3 3 ASP CA C 13 54.559 0.3 . 1 . . . . . 3 ASP CA . 52565 1 9 . 1 . 1 3 3 ASP CB C 13 41.333 0.3 . 1 . . . . . 3 ASP CB . 52565 1 10 . 1 . 1 3 3 ASP N N 15 119.923 0.3 . 1 . . . . . 3 ASP N . 52565 1 11 . 1 . 1 4 4 ALA H H 1 8.257 0.020 . 1 . . . . . 4 ALA H . 52565 1 12 . 1 . 1 4 4 ALA C C 13 175.090 0.3 . 1 . . . . . 4 ALA C . 52565 1 13 . 1 . 1 4 4 ALA CA C 13 52.733 0.3 . 1 . . . . . 4 ALA CA . 52565 1 14 . 1 . 1 4 4 ALA CB C 13 19.505 0.3 . 1 . . . . . 4 ALA CB . 52565 1 15 . 1 . 1 4 4 ALA N N 15 124.142 0.3 . 1 . . . . . 4 ALA N . 52565 1 16 . 1 . 1 5 5 VAL H H 1 8.009 0.020 . 1 . . . . . 5 VAL H . 52565 1 17 . 1 . 1 5 5 VAL C C 13 175.739 0.3 . 1 . . . . . 5 VAL C . 52565 1 18 . 1 . 1 5 5 VAL CA C 13 63.072 0.3 . 1 . . . . . 5 VAL CA . 52565 1 19 . 1 . 1 5 5 VAL CB C 13 32.715 0.3 . 1 . . . . . 5 VAL CB . 52565 1 20 . 1 . 1 5 5 VAL N N 15 118.872 0.3 . 1 . . . . . 5 VAL N . 52565 1 21 . 1 . 1 6 6 ASN H H 1 8.339 0.020 . 1 . . . . . 6 ASN H . 52565 1 22 . 1 . 1 6 6 ASN C C 13 174.501 0.3 . 1 . . . . . 6 ASN C . 52565 1 23 . 1 . 1 6 6 ASN CA C 13 53.430 0.3 . 1 . . . . . 6 ASN CA . 52565 1 24 . 1 . 1 6 6 ASN CB C 13 38.970 0.3 . 1 . . . . . 6 ASN CB . 52565 1 25 . 1 . 1 6 6 ASN N N 15 121.197 0.3 . 1 . . . . . 6 ASN N . 52565 1 26 . 1 . 1 7 7 ALA H H 1 8.106 0.020 . 1 . . . . . 7 ALA H . 52565 1 27 . 1 . 1 7 7 ALA C C 13 174.485 0.3 . 1 . . . . . 7 ALA C . 52565 1 28 . 1 . 1 7 7 ALA CA C 13 52.818 0.3 . 1 . . . . . 7 ALA CA . 52565 1 29 . 1 . 1 7 7 ALA CB C 13 19.494 0.3 . 1 . . . . . 7 ALA CB . 52565 1 30 . 1 . 1 7 7 ALA N N 15 124.315 0.3 . 1 . . . . . 7 ALA N . 52565 1 31 . 1 . 1 8 8 ALA H H 1 8.105 0.020 . 1 . . . . . 8 ALA H . 52565 1 32 . 1 . 1 8 8 ALA C C 13 174.719 0.3 . 1 . . . . . 8 ALA C . 52565 1 33 . 1 . 1 8 8 ALA CA C 13 52.563 0.3 . 1 . . . . . 8 ALA CA . 52565 1 34 . 1 . 1 8 8 ALA CB C 13 20.101 0.3 . 1 . . . . . 8 ALA CB . 52565 1 35 . 1 . 1 8 8 ALA N N 15 122.451 0.3 . 1 . . . . . 8 ALA N . 52565 1 36 . 1 . 1 9 9 LEU H H 1 8.218 0.020 . 1 . . . . . 9 LEU H . 52565 1 37 . 1 . 1 9 9 LEU C C 13 174.114 0.3 . 1 . . . . . 9 LEU C . 52565 1 38 . 1 . 1 9 9 LEU CA C 13 55.507 0.3 . 1 . . . . . 9 LEU CA . 52565 1 39 . 1 . 1 9 9 LEU CB C 13 42.991 0.3 . 1 . . . . . 9 LEU CB . 52565 1 40 . 1 . 1 9 9 LEU N N 15 122.071 0.3 . 1 . . . . . 9 LEU N . 52565 1 41 . 1 . 1 10 10 THR H H 1 8.221 0.020 . 1 . . . . . 10 THR H . 52565 1 42 . 1 . 1 10 10 THR C C 13 170.873 0.3 . 1 . . . . . 10 THR C . 52565 1 43 . 1 . 1 10 10 THR CA C 13 62.567 0.3 . 1 . . . . . 10 THR CA . 52565 1 44 . 1 . 1 10 10 THR CB C 13 69.971 0.3 . 1 . . . . . 10 THR CB . 52565 1 45 . 1 . 1 10 10 THR N N 15 118.090 0.3 . 1 . . . . . 10 THR N . 52565 1 46 . 1 . 1 11 11 CYS H H 1 8.035 0.020 . 1 . . . . . 11 CYS H . 52565 1 47 . 1 . 1 11 11 CYS C C 13 170.619 0.3 . 1 . . . . . 11 CYS C . 52565 1 48 . 1 . 1 11 11 CYS CA C 13 52.619 0.3 . 1 . . . . . 11 CYS CA . 52565 1 49 . 1 . 1 11 11 CYS CB C 13 39.676 0.3 . 1 . . . . . 11 CYS CB . 52565 1 50 . 1 . 1 11 11 CYS N N 15 117.886 0.3 . 1 . . . . . 11 CYS N . 52565 1 51 . 1 . 1 12 12 CYS H H 1 7.515 0.020 . 1 . . . . . 12 CYS H . 52565 1 52 . 1 . 1 12 12 CYS C C 13 172.864 0.3 . 1 . . . . . 12 CYS C . 52565 1 53 . 1 . 1 12 12 CYS CA C 13 55.311 0.3 . 1 . . . . . 12 CYS CA . 52565 1 54 . 1 . 1 12 12 CYS CB C 13 43.123 0.3 . 1 . . . . . 12 CYS CB . 52565 1 55 . 1 . 1 12 12 CYS N N 15 116.251 0.3 . 1 . . . . . 12 CYS N . 52565 1 56 . 1 . 1 13 13 TYR H H 1 9.087 0.020 . 1 . . . . . 13 TYR H . 52565 1 57 . 1 . 1 13 13 TYR C C 13 171.693 0.3 . 1 . . . . . 13 TYR C . 52565 1 58 . 1 . 1 13 13 TYR CA C 13 59.064 0.3 . 1 . . . . . 13 TYR CA . 52565 1 59 . 1 . 1 13 13 TYR CB C 13 39.013 0.3 . 1 . . . . . 13 TYR CB . 52565 1 60 . 1 . 1 13 13 TYR N N 15 122.615 0.3 . 1 . . . . . 13 TYR N . 52565 1 61 . 1 . 1 14 14 SER H H 1 7.458 0.020 . 1 . . . . . 14 SER H . 52565 1 62 . 1 . 1 14 14 SER C C 13 171.569 0.3 . 1 . . . . . 14 SER C . 52565 1 63 . 1 . 1 14 14 SER CA C 13 56.818 0.3 . 1 . . . . . 14 SER CA . 52565 1 64 . 1 . 1 14 14 SER CB C 13 64.837 0.3 . 1 . . . . . 14 SER CB . 52565 1 65 . 1 . 1 14 14 SER N N 15 112.753 0.3 . 1 . . . . . 14 SER N . 52565 1 66 . 1 . 1 15 15 PHE H H 1 8.489 0.020 . 1 . . . . . 15 PHE H . 52565 1 67 . 1 . 1 15 15 PHE C C 13 173.548 0.3 . 1 . . . . . 15 PHE C . 52565 1 68 . 1 . 1 15 15 PHE CA C 13 55.255 0.3 . 1 . . . . . 15 PHE CA . 52565 1 69 . 1 . 1 15 15 PHE CB C 13 42.093 0.3 . 1 . . . . . 15 PHE CB . 52565 1 70 . 1 . 1 15 15 PHE N N 15 118.884 0.3 . 1 . . . . . 15 PHE N . 52565 1 71 . 1 . 1 16 16 THR H H 1 8.649 0.020 . 1 . . . . . 16 THR H . 52565 1 72 . 1 . 1 16 16 THR CA C 13 62.663 0.3 . 1 . . . . . 16 THR CA . 52565 1 73 . 1 . 1 16 16 THR CB C 13 69.708 0.3 . 1 . . . . . 16 THR CB . 52565 1 74 . 1 . 1 16 16 THR N N 15 116.885 0.3 . 1 . . . . . 16 THR N . 52565 1 75 . 1 . 1 17 17 SER H H 1 8.823 0.020 . 1 . . . . . 17 SER H . 52565 1 76 . 1 . 1 17 17 SER C C 13 171.439 0.3 . 1 . . . . . 17 SER C . 52565 1 77 . 1 . 1 17 17 SER CA C 13 59.392 0.3 . 1 . . . . . 17 SER CA . 52565 1 78 . 1 . 1 17 17 SER CB C 13 64.270 0.3 . 1 . . . . . 17 SER CB . 52565 1 79 . 1 . 1 17 17 SER N N 15 121.782 0.3 . 1 . . . . . 17 SER N . 52565 1 80 . 1 . 1 18 18 LYS H H 1 7.901 0.020 . 1 . . . . . 18 LYS H . 52565 1 81 . 1 . 1 18 18 LYS C C 13 172.162 0.3 . 1 . . . . . 18 LYS C . 52565 1 82 . 1 . 1 18 18 LYS CA C 13 55.283 0.3 . 1 . . . . . 18 LYS CA . 52565 1 83 . 1 . 1 18 18 LYS CB C 13 34.346 0.3 . 1 . . . . . 18 LYS CB . 52565 1 84 . 1 . 1 18 18 LYS N N 15 122.532 0.3 . 1 . . . . . 18 LYS N . 52565 1 85 . 1 . 1 19 19 MET H H 1 7.958 0.020 . 1 . . . . . 19 MET H . 52565 1 86 . 1 . 1 19 19 MET C C 13 172.162 0.3 . 1 . . . . . 19 MET C . 52565 1 87 . 1 . 1 19 19 MET CA C 13 55.793 0.3 . 1 . . . . . 19 MET CA . 52565 1 88 . 1 . 1 19 19 MET CB C 13 32.449 0.3 . 1 . . . . . 19 MET CB . 52565 1 89 . 1 . 1 19 19 MET N N 15 121.118 0.3 . 1 . . . . . 19 MET N . 52565 1 90 . 1 . 1 20 20 ILE H H 1 6.000 0.020 . 1 . . . . . 20 ILE H . 52565 1 91 . 1 . 1 20 20 ILE CA C 13 57.937 0.3 . 1 . . . . . 20 ILE CA . 52565 1 92 . 1 . 1 20 20 ILE CB C 13 40.670 0.3 . 1 . . . . . 20 ILE CB . 52565 1 93 . 1 . 1 20 20 ILE N N 15 123.941 0.3 . 1 . . . . . 20 ILE N . 52565 1 94 . 1 . 1 22 22 MET H H 1 8.305 0.020 . 1 . . . . . 22 MET H . 52565 1 95 . 1 . 1 22 22 MET C C 13 178.042 0.3 . 1 . . . . . 22 MET C . 52565 1 96 . 1 . 1 22 22 MET CA C 13 58.004 0.3 . 1 . . . . . 22 MET CA . 52565 1 97 . 1 . 1 22 22 MET CB C 13 32.251 0.3 . 1 . . . . . 22 MET CB . 52565 1 98 . 1 . 1 22 22 MET N N 15 124.788 0.3 . 1 . . . . . 22 MET N . 52565 1 99 . 1 . 1 23 23 SER H H 1 8.124 0.020 . 1 . . . . . 23 SER H . 52565 1 100 . 1 . 1 23 23 SER C C 13 175.695 0.3 . 1 . . . . . 23 SER C . 52565 1 101 . 1 . 1 23 23 SER CA C 13 60.214 0.3 . 1 . . . . . 23 SER CA . 52565 1 102 . 1 . 1 23 23 SER CB C 13 62.687 0.3 . 1 . . . . . 23 SER CB . 52565 1 103 . 1 . 1 23 23 SER N N 15 111.147 0.3 . 1 . . . . . 23 SER N . 52565 1 104 . 1 . 1 24 24 ARG H H 1 7.493 0.020 . 1 . . . . . 24 ARG H . 52565 1 105 . 1 . 1 24 24 ARG C C 13 173.704 0.3 . 1 . . . . . 24 ARG C . 52565 1 106 . 1 . 1 24 24 ARG CA C 13 55.793 0.3 . 1 . . . . . 24 ARG CA . 52565 1 107 . 1 . 1 24 24 ARG CB C 13 30.926 0.3 . 1 . . . . . 24 ARG CB . 52565 1 108 . 1 . 1 24 24 ARG N N 15 117.841 0.3 . 1 . . . . . 24 ARG N . 52565 1 109 . 1 . 1 25 25 LEU H H 1 7.650 0.020 . 1 . . . . . 25 LEU H . 52565 1 110 . 1 . 1 25 25 LEU C C 13 172.318 0.3 . 1 . . . . . 25 LEU C . 52565 1 111 . 1 . 1 25 25 LEU CA C 13 55.482 0.3 . 1 . . . . . 25 LEU CA . 52565 1 112 . 1 . 1 25 25 LEU CB C 13 44.285 0.3 . 1 . . . . . 25 LEU CB . 52565 1 113 . 1 . 1 25 25 LEU N N 15 118.540 0.3 . 1 . . . . . 25 LEU N . 52565 1 114 . 1 . 1 26 26 GLU H H 1 9.130 0.020 . 1 . . . . . 26 GLU H . 52565 1 115 . 1 . 1 26 26 GLU C C 13 172.708 0.3 . 1 . . . . . 26 GLU C . 52565 1 116 . 1 . 1 26 26 GLU CA C 13 57.183 0.3 . 1 . . . . . 26 GLU CA . 52565 1 117 . 1 . 1 26 26 GLU CB C 13 33.655 0.3 . 1 . . . . . 26 GLU CB . 52565 1 118 . 1 . 1 26 26 GLU N N 15 118.879 0.3 . 1 . . . . . 26 GLU N . 52565 1 119 . 1 . 1 27 27 SER H H 1 8.073 0.020 . 1 . . . . . 27 SER H . 52565 1 120 . 1 . 1 27 27 SER C C 13 172.767 0.3 . 1 . . . . . 27 SER C . 52565 1 121 . 1 . 1 27 27 SER CA C 13 58.441 0.3 . 1 . . . . . 27 SER CA . 52565 1 122 . 1 . 1 27 27 SER CB C 13 64.695 0.3 . 1 . . . . . 27 SER CB . 52565 1 123 . 1 . 1 27 27 SER N N 15 110.268 0.3 . 1 . . . . . 27 SER N . 52565 1 124 . 1 . 1 28 28 TYR H H 1 8.263 0.020 . 1 . . . . . 28 TYR H . 52565 1 125 . 1 . 1 28 28 TYR HA H 1 5.749 0.020 . 1 . . . . . 28 TYR HA . 52565 1 126 . 1 . 1 28 28 TYR C C 13 172.608 0.3 . 1 . . . . . 28 TYR C . 52565 1 127 . 1 . 1 28 28 TYR CA C 13 56.436 0.3 . 1 . . . . . 28 TYR CA . 52565 1 128 . 1 . 1 28 28 TYR CB C 13 42.924 0.3 . 1 . . . . . 28 TYR CB . 52565 1 129 . 1 . 1 28 28 TYR N N 15 114.686 0.3 . 1 . . . . . 28 TYR N . 52565 1 130 . 1 . 1 29 29 LYS H H 1 9.069 0.020 . 1 . . . . . 29 LYS H . 52565 1 131 . 1 . 1 29 29 LYS C C 13 174.409 0.3 . 1 . . . . . 29 LYS C . 52565 1 132 . 1 . 1 29 29 LYS CA C 13 54.808 0.3 . 1 . . . . . 29 LYS CA . 52565 1 133 . 1 . 1 29 29 LYS CB C 13 36.028 0.3 . 1 . . . . . 29 LYS CB . 52565 1 134 . 1 . 1 29 29 LYS N N 15 118.521 0.3 . 1 . . . . . 29 LYS N . 52565 1 135 . 1 . 1 30 30 ARG H H 1 8.848 0.020 . 1 . . . . . 30 ARG H . 52565 1 136 . 1 . 1 30 30 ARG C C 13 175.383 0.3 . 1 . . . . . 30 ARG C . 52565 1 137 . 1 . 1 30 30 ARG CA C 13 56.303 0.3 . 1 . . . . . 30 ARG CA . 52565 1 138 . 1 . 1 30 30 ARG CB C 13 32.214 0.3 . 1 . . . . . 30 ARG CB . 52565 1 139 . 1 . 1 30 30 ARG N N 15 120.673 0.3 . 1 . . . . . 30 ARG N . 52565 1 140 . 1 . 1 31 31 ILE H H 1 8.532 0.020 . 1 . . . . . 31 ILE H . 52565 1 141 . 1 . 1 31 31 ILE C C 13 172.884 0.3 . 1 . . . . . 31 ILE C . 52565 1 142 . 1 . 1 31 31 ILE CA C 13 60.438 0.3 . 1 . . . . . 31 ILE CA . 52565 1 143 . 1 . 1 31 31 ILE CB C 13 38.970 0.3 . 1 . . . . . 31 ILE CB . 52565 1 144 . 1 . 1 31 31 ILE N N 15 123.898 0.3 . 1 . . . . . 31 ILE N . 52565 1 145 . 1 . 1 32 32 THR H H 1 8.348 0.020 . 1 . . . . . 32 THR H . 52565 1 146 . 1 . 1 32 32 THR C C 13 171.947 0.3 . 1 . . . . . 32 THR C . 52565 1 147 . 1 . 1 32 32 THR CA C 13 60.583 0.3 . 1 . . . . . 32 THR CA . 52565 1 148 . 1 . 1 32 32 THR CB C 13 70.501 0.3 . 1 . . . . . 32 THR CB . 52565 1 149 . 1 . 1 32 32 THR N N 15 116.389 0.3 . 1 . . . . . 32 THR N . 52565 1 150 . 1 . 1 33 33 SER H H 1 7.880 0.020 . 1 . . . . . 33 SER H . 52565 1 151 . 1 . 1 33 33 SER C C 13 178.455 0.3 . 1 . . . . . 33 SER C . 52565 1 152 . 1 . 1 33 33 SER CA C 13 58.287 0.3 . 1 . . . . . 33 SER CA . 52565 1 153 . 1 . 1 33 33 SER CB C 13 64.137 0.3 . 1 . . . . . 33 SER CB . 52565 1 154 . 1 . 1 33 33 SER N N 15 115.610 0.3 . 1 . . . . . 33 SER N . 52565 1 155 . 1 . 1 34 34 SER H H 1 8.347 0.020 . 1 . . . . . 34 SER H . 52565 1 156 . 1 . 1 34 34 SER C C 13 173.255 0.3 . 1 . . . . . 34 SER C . 52565 1 157 . 1 . 1 34 34 SER CA C 13 58.551 0.3 . 1 . . . . . 34 SER CA . 52565 1 158 . 1 . 1 34 34 SER CB C 13 64.348 0.3 . 1 . . . . . 34 SER CB . 52565 1 159 . 1 . 1 34 34 SER N N 15 118.100 0.3 . 1 . . . . . 34 SER N . 52565 1 160 . 1 . 1 35 35 ARG H H 1 7.965 0.020 . 1 . . . . . 35 ARG H . 52565 1 161 . 1 . 1 35 35 ARG C C 13 171.107 0.3 . 1 . . . . . 35 ARG C . 52565 1 162 . 1 . 1 35 35 ARG CA C 13 53.951 0.3 . 1 . . . . . 35 ARG CA . 52565 1 163 . 1 . 1 35 35 ARG CB C 13 31.682 0.3 . 1 . . . . . 35 ARG CB . 52565 1 164 . 1 . 1 35 35 ARG N N 15 121.686 0.3 . 1 . . . . . 35 ARG N . 52565 1 165 . 1 . 1 36 36 CYS H H 1 7.428 0.020 . 1 . . . . . 36 CYS H . 52565 1 166 . 1 . 1 36 36 CYS C C 13 170.951 0.3 . 1 . . . . . 36 CYS C . 52565 1 167 . 1 . 1 36 36 CYS CA C 13 50.862 0.3 . 1 . . . . . 36 CYS CA . 52565 1 168 . 1 . 1 36 36 CYS CB C 13 37.422 0.3 . 1 . . . . . 36 CYS CB . 52565 1 169 . 1 . 1 36 36 CYS N N 15 116.913 0.3 . 1 . . . . . 36 CYS N . 52565 1 170 . 1 . 1 38 38 LYS H H 1 6.773 0.020 . 1 . . . . . 38 LYS H . 52565 1 171 . 1 . 1 38 38 LYS C C 13 175.024 0.3 . 1 . . . . . 38 LYS C . 52565 1 172 . 1 . 1 38 38 LYS CA C 13 54.434 0.3 . 1 . . . . . 38 LYS CA . 52565 1 173 . 1 . 1 38 38 LYS CB C 13 35.907 0.3 . 1 . . . . . 38 LYS CB . 52565 1 174 . 1 . 1 38 38 LYS N N 15 112.187 0.3 . 1 . . . . . 38 LYS N . 52565 1 175 . 1 . 1 39 39 GLU H H 1 8.463 0.020 . 1 . . . . . 39 GLU H . 52565 1 176 . 1 . 1 39 39 GLU C C 13 172.845 0.3 . 1 . . . . . 39 GLU C . 52565 1 177 . 1 . 1 39 39 GLU CA C 13 56.929 0.3 . 1 . . . . . 39 GLU CA . 52565 1 178 . 1 . 1 39 39 GLU CB C 13 29.869 0.3 . 1 . . . . . 39 GLU CB . 52565 1 179 . 1 . 1 39 39 GLU N N 15 123.573 0.3 . 1 . . . . . 39 GLU N . 52565 1 180 . 1 . 1 40 40 ALA H H 1 8.476 0.020 . 1 . . . . . 40 ALA H . 52565 1 181 . 1 . 1 40 40 ALA C C 13 173.458 0.3 . 1 . . . . . 40 ALA C . 52565 1 182 . 1 . 1 40 40 ALA CA C 13 51.344 0.3 . 1 . . . . . 40 ALA CA . 52565 1 183 . 1 . 1 40 40 ALA CB C 13 25.352 0.3 . 1 . . . . . 40 ALA CB . 52565 1 184 . 1 . 1 40 40 ALA N N 15 121.251 0.3 . 1 . . . . . 40 ALA N . 52565 1 185 . 1 . 1 41 41 VAL H H 1 8.303 0.020 . 1 . . . . . 41 VAL H . 52565 1 186 . 1 . 1 41 41 VAL C C 13 172.612 0.3 . 1 . . . . . 41 VAL C . 52565 1 187 . 1 . 1 41 41 VAL CA C 13 61.821 0.3 . 1 . . . . . 41 VAL CA . 52565 1 188 . 1 . 1 41 41 VAL CB C 13 34.694 0.3 . 1 . . . . . 41 VAL CB . 52565 1 189 . 1 . 1 41 41 VAL N N 15 121.743 0.3 . 1 . . . . . 41 VAL N . 52565 1 190 . 1 . 1 42 42 VAL H H 1 8.857 0.020 . 1 . . . . . 42 VAL H . 52565 1 191 . 1 . 1 42 42 VAL C C 13 176.224 0.3 . 1 . . . . . 42 VAL C . 52565 1 192 . 1 . 1 42 42 VAL CA C 13 60.441 0.3 . 1 . . . . . 42 VAL CA . 52565 1 193 . 1 . 1 42 42 VAL CB C 13 34.181 0.3 . 1 . . . . . 42 VAL CB . 52565 1 194 . 1 . 1 42 42 VAL N N 15 125.287 0.3 . 1 . . . . . 42 VAL N . 52565 1 195 . 1 . 1 43 43 PHE H H 1 9.190 0.020 . 1 . . . . . 43 PHE H . 52565 1 196 . 1 . 1 43 43 PHE C C 13 174.233 0.3 . 1 . . . . . 43 PHE C . 52565 1 197 . 1 . 1 43 43 PHE CA C 13 57.947 0.3 . 1 . . . . . 43 PHE CA . 52565 1 198 . 1 . 1 43 43 PHE CB C 13 41.960 0.3 . 1 . . . . . 43 PHE CB . 52565 1 199 . 1 . 1 43 43 PHE N N 15 124.791 0.3 . 1 . . . . . 43 PHE N . 52565 1 200 . 1 . 1 44 44 VAL H H 1 8.759 0.020 . 1 . . . . . 44 VAL H . 52565 1 201 . 1 . 1 44 44 VAL C C 13 174.797 0.3 . 1 . . . . . 44 VAL C . 52565 1 202 . 1 . 1 44 44 VAL CA C 13 61.405 0.3 . 1 . . . . . 44 VAL CA . 52565 1 203 . 1 . 1 44 44 VAL CB C 13 32.447 0.3 . 1 . . . . . 44 VAL CB . 52565 1 204 . 1 . 1 44 44 VAL N N 15 122.219 0.3 . 1 . . . . . 44 VAL N . 52565 1 205 . 1 . 1 45 45 THR H H 1 9.291 0.020 . 1 . . . . . 45 THR H . 52565 1 206 . 1 . 1 45 45 THR C C 13 176.230 0.3 . 1 . . . . . 45 THR C . 52565 1 207 . 1 . 1 45 45 THR CA C 13 60.809 0.3 . 1 . . . . . 45 THR CA . 52565 1 208 . 1 . 1 45 45 THR CB C 13 71.932 0.3 . 1 . . . . . 45 THR CB . 52565 1 209 . 1 . 1 45 45 THR N N 15 118.007 0.3 . 1 . . . . . 45 THR N . 52565 1 210 . 1 . 1 46 46 LYS H H 1 8.583 0.020 . 1 . . . . . 46 LYS H . 52565 1 211 . 1 . 1 46 46 LYS C C 13 174.563 0.3 . 1 . . . . . 46 LYS C . 52565 1 212 . 1 . 1 46 46 LYS CA C 13 59.222 0.3 . 1 . . . . . 46 LYS CA . 52565 1 213 . 1 . 1 46 46 LYS CB C 13 32.659 0.3 . 1 . . . . . 46 LYS CB . 52565 1 214 . 1 . 1 46 46 LYS N N 15 119.526 0.3 . 1 . . . . . 46 LYS N . 52565 1 215 . 1 . 1 47 47 LEU H H 1 7.403 0.020 . 1 . . . . . 47 LEU H . 52565 1 216 . 1 . 1 47 47 LEU C C 13 172.864 0.3 . 1 . . . . . 47 LEU C . 52565 1 217 . 1 . 1 47 47 LEU CA C 13 54.556 0.3 . 1 . . . . . 47 LEU CA . 52565 1 218 . 1 . 1 47 47 LEU CB C 13 40.831 0.3 . 1 . . . . . 47 LEU CB . 52565 1 219 . 1 . 1 47 47 LEU N N 15 117.597 0.3 . 1 . . . . . 47 LEU N . 52565 1 220 . 1 . 1 48 48 LYS H H 1 8.154 0.020 . 1 . . . . . 48 LYS H . 52565 1 221 . 1 . 1 48 48 LYS C C 13 175.602 0.3 . 1 . . . . . 48 LYS C . 52565 1 222 . 1 . 1 48 48 LYS CA C 13 56.728 0.3 . 1 . . . . . 48 LYS CA . 52565 1 223 . 1 . 1 48 48 LYS CB C 13 28.208 0.3 . 1 . . . . . 48 LYS CB . 52565 1 224 . 1 . 1 48 48 LYS N N 15 113.443 0.3 . 1 . . . . . 48 LYS N . 52565 1 225 . 1 . 1 49 49 ARG H H 1 7.334 0.020 . 1 . . . . . 49 ARG H . 52565 1 226 . 1 . 1 49 49 ARG C C 13 174.762 0.3 . 1 . . . . . 49 ARG C . 52565 1 227 . 1 . 1 49 49 ARG CA C 13 55.307 0.3 . 1 . . . . . 49 ARG CA . 52565 1 228 . 1 . 1 49 49 ARG CB C 13 31.058 0.3 . 1 . . . . . 49 ARG CB . 52565 1 229 . 1 . 1 49 49 ARG N N 15 118.590 0.3 . 1 . . . . . 49 ARG N . 52565 1 230 . 1 . 1 50 50 GLU H H 1 8.417 0.020 . 1 . . . . . 50 GLU H . 52565 1 231 . 1 . 1 50 50 GLU C C 13 174.055 0.3 . 1 . . . . . 50 GLU C . 52565 1 232 . 1 . 1 50 50 GLU CA C 13 55.793 0.3 . 1 . . . . . 50 GLU CA . 52565 1 233 . 1 . 1 50 50 GLU CB C 13 31.452 0.3 . 1 . . . . . 50 GLU CB . 52565 1 234 . 1 . 1 50 50 GLU N N 15 121.178 0.3 . 1 . . . . . 50 GLU N . 52565 1 235 . 1 . 1 51 51 VAL H H 1 9.357 0.020 . 1 . . . . . 51 VAL H . 52565 1 236 . 1 . 1 51 51 VAL C C 13 172.494 0.3 . 1 . . . . . 51 VAL C . 52565 1 237 . 1 . 1 51 51 VAL CA C 13 61.631 0.3 . 1 . . . . . 51 VAL CA . 52565 1 238 . 1 . 1 51 51 VAL CB C 13 35.851 0.3 . 1 . . . . . 51 VAL CB . 52565 1 239 . 1 . 1 51 51 VAL N N 15 123.955 0.3 . 1 . . . . . 51 VAL N . 52565 1 240 . 1 . 1 52 52 CYS H H 1 8.955 0.020 . 1 . . . . . 52 CYS H . 52565 1 241 . 1 . 1 52 52 CYS C C 13 171.517 0.3 . 1 . . . . . 52 CYS C . 52565 1 242 . 1 . 1 52 52 CYS CA C 13 58.797 0.3 . 1 . . . . . 52 CYS CA . 52565 1 243 . 1 . 1 52 52 CYS CB C 13 46.411 0.3 . 1 . . . . . 52 CYS CB . 52565 1 244 . 1 . 1 52 52 CYS N N 15 125.972 0.3 . 1 . . . . . 52 CYS N . 52565 1 245 . 1 . 1 53 53 ALA H H 1 9.933 0.020 . 1 . . . . . 53 ALA H . 52565 1 246 . 1 . 1 53 53 ALA C C 13 170.815 0.3 . 1 . . . . . 53 ALA C . 52565 1 247 . 1 . 1 53 53 ALA CA C 13 51.061 0.3 . 1 . . . . . 53 ALA CA . 52565 1 248 . 1 . 1 53 53 ALA CB C 13 23.956 0.3 . 1 . . . . . 53 ALA CB . 52565 1 249 . 1 . 1 53 53 ALA N N 15 127.097 0.3 . 1 . . . . . 53 ALA N . 52565 1 250 . 1 . 1 54 54 ASP H H 1 8.047 0.020 . 1 . . . . . 54 ASP H . 52565 1 251 . 1 . 1 54 54 ASP C C 13 174.914 0.3 . 1 . . . . . 54 ASP C . 52565 1 252 . 1 . 1 54 54 ASP CA C 13 50.437 0.3 . 1 . . . . . 54 ASP CA . 52565 1 253 . 1 . 1 54 54 ASP CB C 13 42.394 0.3 . 1 . . . . . 54 ASP CB . 52565 1 254 . 1 . 1 54 54 ASP N N 15 121.440 0.3 . 1 . . . . . 54 ASP N . 52565 1 255 . 1 . 1 56 56 LYS H H 1 7.955 0.020 . 1 . . . . . 56 LYS H . 52565 1 256 . 1 . 1 56 56 LYS C C 13 174.992 0.3 . 1 . . . . . 56 LYS C . 52565 1 257 . 1 . 1 56 56 LYS CA C 13 56.929 0.3 . 1 . . . . . 56 LYS CA . 52565 1 258 . 1 . 1 56 56 LYS CB C 13 32.217 0.3 . 1 . . . . . 56 LYS CB . 52565 1 259 . 1 . 1 56 56 LYS N N 15 114.832 0.3 . 1 . . . . . 56 LYS N . 52565 1 260 . 1 . 1 57 57 LYS H H 1 7.213 0.020 . 1 . . . . . 57 LYS H . 52565 1 261 . 1 . 1 57 57 LYS C C 13 174.543 0.3 . 1 . . . . . 57 LYS C . 52565 1 262 . 1 . 1 57 57 LYS CA C 13 54.681 0.3 . 1 . . . . . 57 LYS CA . 52565 1 263 . 1 . 1 57 57 LYS CB C 13 32.715 0.3 . 1 . . . . . 57 LYS CB . 52565 1 264 . 1 . 1 57 57 LYS N N 15 118.660 0.3 . 1 . . . . . 57 LYS N . 52565 1 265 . 1 . 1 58 58 GLU H H 1 8.879 0.020 . 1 . . . . . 58 GLU H . 52565 1 266 . 1 . 1 58 58 GLU C C 13 176.574 0.3 . 1 . . . . . 58 GLU C . 52565 1 267 . 1 . 1 58 58 GLU CA C 13 60.441 0.3 . 1 . . . . . 58 GLU CA . 52565 1 268 . 1 . 1 58 58 GLU CB C 13 28.937 0.3 . 1 . . . . . 58 GLU CB . 52565 1 269 . 1 . 1 58 58 GLU N N 15 124.720 0.3 . 1 . . . . . 58 GLU N . 52565 1 270 . 1 . 1 59 59 TRP H H 1 8.136 0.020 . 1 . . . . . 59 TRP H . 52565 1 271 . 1 . 1 59 59 TRP C C 13 173.528 0.3 . 1 . . . . . 59 TRP C . 52565 1 272 . 1 . 1 59 59 TRP CA C 13 59.615 0.3 . 1 . . . . . 59 TRP CA . 52565 1 273 . 1 . 1 59 59 TRP CB C 13 26.948 0.3 . 1 . . . . . 59 TRP CB . 52565 1 274 . 1 . 1 59 59 TRP N N 15 116.291 0.3 . 1 . . . . . 59 TRP N . 52565 1 275 . 1 . 1 60 60 VAL H H 1 5.482 0.020 . 1 . . . . . 60 VAL H . 52565 1 276 . 1 . 1 60 60 VAL HA H 1 2.670 0.020 . 1 . . . . . 60 VAL HA . 52565 1 277 . 1 . 1 60 60 VAL CA C 13 66.076 0.3 . 1 . . . . . 60 VAL CA . 52565 1 278 . 1 . 1 60 60 VAL CB C 13 31.131 0.3 . 1 . . . . . 60 VAL CB . 52565 1 279 . 1 . 1 60 60 VAL N N 15 121.989 0.3 . 1 . . . . . 60 VAL N . 52565 1 280 . 1 . 1 61 61 GLN H H 1 7.056 0.020 . 1 . . . . . 61 GLN H . 52565 1 281 . 1 . 1 61 61 GLN C C 13 176.691 0.3 . 1 . . . . . 61 GLN C . 52565 1 282 . 1 . 1 61 61 GLN CA C 13 58.882 0.3 . 1 . . . . . 61 GLN CA . 52565 1 283 . 1 . 1 61 61 GLN CB C 13 27.677 0.3 . 1 . . . . . 61 GLN CB . 52565 1 284 . 1 . 1 61 61 GLN N N 15 116.394 0.3 . 1 . . . . . 61 GLN N . 52565 1 285 . 1 . 1 62 62 THR H H 1 8.538 0.020 . 1 . . . . . 62 THR H . 52565 1 286 . 1 . 1 62 62 THR C C 13 176.750 0.3 . 1 . . . . . 62 THR C . 52565 1 287 . 1 . 1 62 62 THR CA C 13 66.874 0.3 . 1 . . . . . 62 THR CA . 52565 1 288 . 1 . 1 62 62 THR CB C 13 68.871 0.3 . 1 . . . . . 62 THR CB . 52565 1 289 . 1 . 1 62 62 THR N N 15 118.167 0.3 . 1 . . . . . 62 THR N . 52565 1 290 . 1 . 1 63 63 TYR H H 1 8.672 0.020 . 1 . . . . . 63 TYR H . 52565 1 291 . 1 . 1 63 63 TYR CA C 13 60.065 0.3 . 1 . . . . . 63 TYR CA . 52565 1 292 . 1 . 1 63 63 TYR CB C 13 37.453 0.3 . 1 . . . . . 63 TYR CB . 52565 1 293 . 1 . 1 63 63 TYR N N 15 123.971 0.3 . 1 . . . . . 63 TYR N . 52565 1 294 . 1 . 1 64 64 ILE H H 1 8.050 0.020 . 1 . . . . . 64 ILE H . 52565 1 295 . 1 . 1 64 64 ILE C C 13 172.416 0.3 . 1 . . . . . 64 ILE C . 52565 1 296 . 1 . 1 64 64 ILE CA C 13 66.468 0.3 . 1 . . . . . 64 ILE CA . 52565 1 297 . 1 . 1 64 64 ILE CB C 13 37.829 0.3 . 1 . . . . . 64 ILE CB . 52565 1 298 . 1 . 1 64 64 ILE N N 15 119.036 0.3 . 1 . . . . . 64 ILE N . 52565 1 299 . 1 . 1 65 65 LYS H H 1 7.321 0.020 . 1 . . . . . 65 LYS H . 52565 1 300 . 1 . 1 65 65 LYS C C 13 175.169 0.3 . 1 . . . . . 65 LYS C . 52565 1 301 . 1 . 1 65 65 LYS CA C 13 59.687 0.3 . 1 . . . . . 65 LYS CA . 52565 1 302 . 1 . 1 65 65 LYS CB C 13 32.207 0.3 . 1 . . . . . 65 LYS CB . 52565 1 303 . 1 . 1 65 65 LYS N N 15 117.499 0.3 . 1 . . . . . 65 LYS N . 52565 1 304 . 1 . 1 66 66 ASN H H 1 7.987 0.020 . 1 . . . . . 66 ASN H . 52565 1 305 . 1 . 1 66 66 ASN CA C 13 56.190 0.3 . 1 . . . . . 66 ASN CA . 52565 1 306 . 1 . 1 66 66 ASN CB C 13 38.947 0.3 . 1 . . . . . 66 ASN CB . 52565 1 307 . 1 . 1 66 66 ASN N N 15 117.193 0.3 . 1 . . . . . 66 ASN N . 52565 1 308 . 1 . 1 67 67 LEU H H 1 8.610 0.020 . 1 . . . . . 67 LEU H . 52565 1 309 . 1 . 1 67 67 LEU C C 13 176.886 0.3 . 1 . . . . . 67 LEU C . 52565 1 310 . 1 . 1 67 67 LEU CA C 13 58.167 0.3 . 1 . . . . . 67 LEU CA . 52565 1 311 . 1 . 1 67 67 LEU CB C 13 41.864 0.3 . 1 . . . . . 67 LEU CB . 52565 1 312 . 1 . 1 67 67 LEU N N 15 122.200 0.3 . 1 . . . . . 67 LEU N . 52565 1 313 . 1 . 1 68 68 ASP H H 1 8.625 0.020 . 1 . . . . . 68 ASP H . 52565 1 314 . 1 . 1 68 68 ASP C C 13 171.459 0.3 . 1 . . . . . 68 ASP C . 52565 1 315 . 1 . 1 68 68 ASP CA C 13 56.934 0.3 . 1 . . . . . 68 ASP CA . 52565 1 316 . 1 . 1 68 68 ASP CB C 13 40.683 0.3 . 1 . . . . . 68 ASP CB . 52565 1 317 . 1 . 1 68 68 ASP N N 15 120.085 0.3 . 1 . . . . . 68 ASP N . 52565 1 318 . 1 . 1 69 69 ARG H H 1 7.669 0.020 . 1 . . . . . 69 ARG H . 52565 1 319 . 1 . 1 69 69 ARG CA C 13 58.439 0.3 . 1 . . . . . 69 ARG CA . 52565 1 320 . 1 . 1 69 69 ARG CB C 13 30.204 0.3 . 1 . . . . . 69 ARG CB . 52565 1 321 . 1 . 1 69 69 ARG N N 15 119.303 0.3 . 1 . . . . . 69 ARG N . 52565 1 322 . 1 . 1 70 70 ASN H H 1 7.941 0.020 . 1 . . . . . 70 ASN H . 52565 1 323 . 1 . 1 70 70 ASN CA C 13 54.281 0.3 . 1 . . . . . 70 ASN CA . 52565 1 324 . 1 . 1 70 70 ASN CB C 13 38.881 0.3 . 1 . . . . . 70 ASN CB . 52565 1 325 . 1 . 1 70 70 ASN N N 15 117.365 0.3 . 1 . . . . . 70 ASN N . 52565 1 326 . 1 . 1 71 71 GLN H H 1 7.960 0.020 . 1 . . . . . 71 GLN H . 52565 1 327 . 1 . 1 71 71 GLN C C 13 175.762 0.3 . 1 . . . . . 71 GLN C . 52565 1 328 . 1 . 1 71 71 GLN CA C 13 56.777 0.3 . 1 . . . . . 71 GLN CA . 52565 1 329 . 1 . 1 71 71 GLN CB C 13 29.296 0.3 . 1 . . . . . 71 GLN CB . 52565 1 330 . 1 . 1 71 71 GLN N N 15 118.645 0.3 . 1 . . . . . 71 GLN N . 52565 1 331 . 1 . 1 72 72 MET H H 1 8.074 0.020 . 1 . . . . . 72 MET H . 52565 1 332 . 1 . 1 72 72 MET C C 13 175.548 0.3 . 1 . . . . . 72 MET C . 52565 1 333 . 1 . 1 72 72 MET CA C 13 56.182 0.3 . 1 . . . . . 72 MET CA . 52565 1 334 . 1 . 1 72 72 MET CB C 13 32.726 0.3 . 1 . . . . . 72 MET CB . 52565 1 335 . 1 . 1 72 72 MET N N 15 119.662 0.3 . 1 . . . . . 72 MET N . 52565 1 336 . 1 . 1 73 73 ARG H H 1 8.105 0.020 . 1 . . . . . 73 ARG H . 52565 1 337 . 1 . 1 73 73 ARG C C 13 173.314 0.3 . 1 . . . . . 73 ARG C . 52565 1 338 . 1 . 1 73 73 ARG CA C 13 56.162 0.3 . 1 . . . . . 73 ARG CA . 52565 1 339 . 1 . 1 73 73 ARG CB C 13 31.131 0.3 . 1 . . . . . 73 ARG CB . 52565 1 340 . 1 . 1 73 73 ARG N N 15 121.456 0.3 . 1 . . . . . 73 ARG N . 52565 1 341 . 1 . 1 74 74 SER H H 1 8.300 0.020 . 1 . . . . . 74 SER H . 52565 1 342 . 1 . 1 74 74 SER C C 13 173.314 0.3 . 1 . . . . . 74 SER C . 52565 1 343 . 1 . 1 74 74 SER CA C 13 58.457 0.3 . 1 . . . . . 74 SER CA . 52565 1 344 . 1 . 1 74 74 SER CB C 13 64.270 0.3 . 1 . . . . . 74 SER CB . 52565 1 345 . 1 . 1 74 74 SER N N 15 117.306 0.3 . 1 . . . . . 74 SER N . 52565 1 346 . 1 . 1 75 75 GLU H H 1 8.182 0.020 . 1 . . . . . 75 GLU H . 52565 1 347 . 1 . 1 75 75 GLU C C 13 170.795 0.3 . 1 . . . . . 75 GLU C . 52565 1 348 . 1 . 1 75 75 GLU CA C 13 54.433 0.3 . 1 . . . . . 75 GLU CA . 52565 1 349 . 1 . 1 75 75 GLU CB C 13 29.799 0.3 . 1 . . . . . 75 GLU CB . 52565 1 350 . 1 . 1 75 75 GLU N N 15 123.628 0.3 . 1 . . . . . 75 GLU N . 52565 1 stop_ save_