################################### # 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 52295 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name holo-SpBCCP80 _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' . . . 52295 1 2 '3D HNCA' . . . 52295 1 3 '3D C(CO)NH' . . . 52295 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 . . 52295 1 2 $software_2 . . 52295 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 9 9 ASN H H 1 8.370 0.020 . 1 . . . . . 9 ASN H . 52295 1 2 . 1 . 1 9 9 ASN CA C 13 52.218 0.3 . 1 . . . . . 9 ASN CA . 52295 1 3 . 1 . 1 9 9 ASN N N 15 113.367 0.3 . 1 . . . . . 9 ASN N . 52295 1 4 . 1 . 1 10 10 LEU H H 1 8.716 0.020 . 1 . . . . . 10 LEU H . 52295 1 5 . 1 . 1 10 10 LEU CA C 13 54.351 0.3 . 1 . . . . . 10 LEU CA . 52295 1 6 . 1 . 1 10 10 LEU N N 15 119.308 0.3 . 1 . . . . . 10 LEU N . 52295 1 7 . 1 . 1 11 11 VAL H H 1 8.823 0.020 . 1 . . . . . 11 VAL H . 52295 1 8 . 1 . 1 11 11 VAL CA C 13 61.876 0.3 . 1 . . . . . 11 VAL CA . 52295 1 9 . 1 . 1 11 11 VAL N N 15 121.640 0.3 . 1 . . . . . 11 VAL N . 52295 1 10 . 1 . 1 12 12 GLU H H 1 8.794 0.020 . 1 . . . . . 12 GLU H . 52295 1 11 . 1 . 1 12 12 GLU CA C 13 53.753 0.3 . 1 . . . . . 12 GLU CA . 52295 1 12 . 1 . 1 12 12 GLU N N 15 124.210 0.3 . 1 . . . . . 12 GLU N . 52295 1 13 . 1 . 1 13 13 SER H H 1 8.686 0.020 . 1 . . . . . 13 SER H . 52295 1 14 . 1 . 1 13 13 SER CA C 13 55.861 0.3 . 1 . . . . . 13 SER CA . 52295 1 15 . 1 . 1 13 13 SER N N 15 109.353 0.3 . 1 . . . . . 13 SER N . 52295 1 16 . 1 . 1 14 14 PRO CA C 13 62.704 0.3 . 1 . . . . . 14 PRO CA . 52295 1 17 . 1 . 1 14 14 PRO CB C 13 31.786 0.3 . 1 . . . . . 14 PRO CB . 52295 1 18 . 1 . 1 14 14 PRO CG C 13 26.797 0.3 . 1 . . . . . 14 PRO CG . 52295 1 19 . 1 . 1 14 14 PRO CD C 13 47.218 0.3 . 1 . . . . . 14 PRO CD . 52295 1 20 . 1 . 1 15 15 LEU H H 1 7.580 0.020 . 1 . . . . . 15 LEU H . 52295 1 21 . 1 . 1 15 15 LEU CA C 13 54.092 0.3 . 1 . . . . . 15 LEU CA . 52295 1 22 . 1 . 1 15 15 LEU N N 15 114.882 0.3 . 1 . . . . . 15 LEU N . 52295 1 23 . 1 . 1 16 16 VAL H H 1 7.565 0.020 . 1 . . . . . 16 VAL H . 52295 1 24 . 1 . 1 16 16 VAL CA C 13 60.368 0.3 . 1 . . . . . 16 VAL CA . 52295 1 25 . 1 . 1 16 16 VAL N N 15 115.336 0.3 . 1 . . . . . 16 VAL N . 52295 1 26 . 1 . 1 17 17 GLY H H 1 8.023 0.020 . 1 . . . . . 17 GLY H . 52295 1 27 . 1 . 1 17 17 GLY CA C 13 45.340 0.3 . 1 . . . . . 17 GLY CA . 52295 1 28 . 1 . 1 17 17 GLY N N 15 109.183 0.3 . 1 . . . . . 17 GLY N . 52295 1 29 . 1 . 1 18 18 VAL H H 1 8.481 0.020 . 1 . . . . . 18 VAL H . 52295 1 30 . 1 . 1 18 18 VAL CA C 13 61.530 0.3 . 1 . . . . . 18 VAL CA . 52295 1 31 . 1 . 1 18 18 VAL N N 15 117.782 0.3 . 1 . . . . . 18 VAL N . 52295 1 32 . 1 . 1 19 19 VAL H H 1 8.825 0.020 . 1 . . . . . 19 VAL H . 52295 1 33 . 1 . 1 19 19 VAL CA C 13 61.045 0.3 . 1 . . . . . 19 VAL CA . 52295 1 34 . 1 . 1 19 19 VAL N N 15 123.346 0.3 . 1 . . . . . 19 VAL N . 52295 1 35 . 1 . 1 20 20 TYR H H 1 9.382 0.020 . 1 . . . . . 20 TYR H . 52295 1 36 . 1 . 1 20 20 TYR CA C 13 57.112 0.3 . 1 . . . . . 20 TYR CA . 52295 1 37 . 1 . 1 20 20 TYR N N 15 119.168 0.3 . 1 . . . . . 20 TYR N . 52295 1 38 . 1 . 1 21 21 LEU H H 1 8.249 0.020 . 1 . . . . . 21 LEU H . 52295 1 39 . 1 . 1 21 21 LEU CA C 13 54.841 0.3 . 1 . . . . . 21 LEU CA . 52295 1 40 . 1 . 1 21 21 LEU N N 15 114.274 0.3 . 1 . . . . . 21 LEU N . 52295 1 41 . 1 . 1 22 22 ALA H H 1 8.113 0.020 . 1 . . . . . 22 ALA H . 52295 1 42 . 1 . 1 22 22 ALA CA C 13 49.848 0.3 . 1 . . . . . 22 ALA CA . 52295 1 43 . 1 . 1 22 22 ALA N N 15 115.172 0.3 . 1 . . . . . 22 ALA N . 52295 1 44 . 1 . 1 23 23 ALA H H 1 8.125 0.020 . 1 . . . . . 23 ALA H . 52295 1 45 . 1 . 1 23 23 ALA CA C 13 52.594 0.3 . 1 . . . . . 23 ALA CA . 52295 1 46 . 1 . 1 23 23 ALA N N 15 114.348 0.3 . 1 . . . . . 23 ALA N . 52295 1 47 . 1 . 1 24 24 GLY H H 1 7.114 0.020 . 1 . . . . . 24 GLY H . 52295 1 48 . 1 . 1 24 24 GLY CA C 13 44.200 0.3 . 1 . . . . . 24 GLY CA . 52295 1 49 . 1 . 1 24 24 GLY N N 15 99.392 0.3 . 1 . . . . . 24 GLY N . 52295 1 50 . 1 . 1 25 25 PRO CA C 13 64.003 0.3 . 1 . . . . . 25 PRO CA . 52295 1 51 . 1 . 1 25 25 PRO CB C 13 32.135 0.3 . 1 . . . . . 25 PRO CB . 52295 1 52 . 1 . 1 25 25 PRO CG C 13 27.493 0.3 . 1 . . . . . 25 PRO CG . 52295 1 53 . 1 . 1 25 25 PRO CD C 13 49.307 0.3 . 1 . . . . . 25 PRO CD . 52295 1 54 . 1 . 1 26 26 ASP H H 1 8.549 0.020 . 1 . . . . . 26 ASP H . 52295 1 55 . 1 . 1 26 26 ASP CA C 13 52.936 0.3 . 1 . . . . . 26 ASP CA . 52295 1 56 . 1 . 1 26 26 ASP N N 15 111.339 0.3 . 1 . . . . . 26 ASP N . 52295 1 57 . 1 . 1 27 27 LYS H H 1 7.086 0.020 . 1 . . . . . 27 LYS H . 52295 1 58 . 1 . 1 27 27 LYS CA C 13 52.457 0.3 . 1 . . . . . 27 LYS CA . 52295 1 59 . 1 . 1 27 27 LYS N N 15 115.496 0.3 . 1 . . . . . 27 LYS N . 52295 1 60 . 1 . 1 28 28 PRO CA C 13 61.580 0.3 . 1 . . . . . 28 PRO CA . 52295 1 61 . 1 . 1 28 28 PRO CB C 13 32.135 0.3 . 1 . . . . . 28 PRO CB . 52295 1 62 . 1 . 1 28 28 PRO CG C 13 27.725 0.3 . 1 . . . . . 28 PRO CG . 52295 1 63 . 1 . 1 28 28 PRO CD C 13 50.235 0.3 . 1 . . . . . 28 PRO CD . 52295 1 64 . 1 . 1 29 29 ALA H H 1 8.166 0.020 . 1 . . . . . 29 ALA H . 52295 1 65 . 1 . 1 29 29 ALA CA C 13 51.711 0.3 . 1 . . . . . 29 ALA CA . 52295 1 66 . 1 . 1 29 29 ALA N N 15 118.430 0.3 . 1 . . . . . 29 ALA N . 52295 1 67 . 1 . 1 30 30 PHE H H 1 8.535 0.020 . 1 . . . . . 30 PHE H . 52295 1 68 . 1 . 1 30 30 PHE CA C 13 62.226 0.3 . 1 . . . . . 30 PHE CA . 52295 1 69 . 1 . 1 30 30 PHE N N 15 114.802 0.3 . 1 . . . . . 30 PHE N . 52295 1 70 . 1 . 1 31 31 VAL H H 1 7.688 0.020 . 1 . . . . . 31 VAL H . 52295 1 71 . 1 . 1 31 31 VAL CA C 13 58.737 0.3 . 1 . . . . . 31 VAL CA . 52295 1 72 . 1 . 1 31 31 VAL N N 15 102.167 0.3 . 1 . . . . . 31 VAL N . 52295 1 73 . 1 . 1 32 32 THR H H 1 8.166 0.020 . 1 . . . . . 32 THR H . 52295 1 74 . 1 . 1 32 32 THR CA C 13 59.956 0.3 . 1 . . . . . 32 THR CA . 52295 1 75 . 1 . 1 32 32 THR N N 15 110.081 0.3 . 1 . . . . . 32 THR N . 52295 1 76 . 1 . 1 33 33 VAL H H 1 8.274 0.020 . 1 . . . . . 33 VAL H . 52295 1 77 . 1 . 1 33 33 VAL CA C 13 65.894 0.3 . 1 . . . . . 33 VAL CA . 52295 1 78 . 1 . 1 33 33 VAL N N 15 118.960 0.3 . 1 . . . . . 33 VAL N . 52295 1 79 . 1 . 1 34 34 GLY H H 1 9.137 0.020 . 1 . . . . . 34 GLY H . 52295 1 80 . 1 . 1 34 34 GLY CA C 13 43.857 0.3 . 1 . . . . . 34 GLY CA . 52295 1 81 . 1 . 1 34 34 GLY N N 15 112.570 0.3 . 1 . . . . . 34 GLY N . 52295 1 82 . 1 . 1 35 35 ASP H H 1 8.106 0.020 . 1 . . . . . 35 ASP H . 52295 1 83 . 1 . 1 35 35 ASP CA C 13 54.624 0.3 . 1 . . . . . 35 ASP CA . 52295 1 84 . 1 . 1 35 35 ASP N N 15 117.564 0.3 . 1 . . . . . 35 ASP N . 52295 1 85 . 1 . 1 36 36 SER H H 1 8.586 0.020 . 1 . . . . . 36 SER H . 52295 1 86 . 1 . 1 36 36 SER CA C 13 57.815 0.3 . 1 . . . . . 36 SER CA . 52295 1 87 . 1 . 1 36 36 SER N N 15 112.752 0.3 . 1 . . . . . 36 SER N . 52295 1 88 . 1 . 1 37 37 VAL H H 1 9.226 0.020 . 1 . . . . . 37 VAL H . 52295 1 89 . 1 . 1 37 37 VAL CA C 13 57.811 0.3 . 1 . . . . . 37 VAL CA . 52295 1 90 . 1 . 1 37 37 VAL N N 15 113.150 0.3 . 1 . . . . . 37 VAL N . 52295 1 91 . 1 . 1 38 38 LYS H H 1 7.992 0.020 . 1 . . . . . 38 LYS H . 52295 1 92 . 1 . 1 38 38 LYS CA C 13 52.062 0.3 . 1 . . . . . 38 LYS CA . 52295 1 93 . 1 . 1 38 38 LYS N N 15 117.991 0.3 . 1 . . . . . 38 LYS N . 52295 1 94 . 1 . 1 39 39 LYS H H 1 8.932 0.020 . 1 . . . . . 39 LYS H . 52295 1 95 . 1 . 1 39 39 LYS CA C 13 57.983 0.3 . 1 . . . . . 39 LYS CA . 52295 1 96 . 1 . 1 39 39 LYS N N 15 117.368 0.3 . 1 . . . . . 39 LYS N . 52295 1 97 . 1 . 1 40 40 GLY H H 1 9.095 0.020 . 1 . . . . . 40 GLY H . 52295 1 98 . 1 . 1 40 40 GLY CA C 13 44.431 0.3 . 1 . . . . . 40 GLY CA . 52295 1 99 . 1 . 1 40 40 GLY N N 15 110.873 0.3 . 1 . . . . . 40 GLY N . 52295 1 100 . 1 . 1 41 41 GLN H H 1 8.419 0.020 . 1 . . . . . 41 GLN H . 52295 1 101 . 1 . 1 41 41 GLN CA C 13 55.728 0.3 . 1 . . . . . 41 GLN CA . 52295 1 102 . 1 . 1 41 41 GLN N N 15 120.180 0.3 . 1 . . . . . 41 GLN N . 52295 1 103 . 1 . 1 42 42 THR H H 1 8.755 0.020 . 1 . . . . . 42 THR H . 52295 1 104 . 1 . 1 42 42 THR CA C 13 65.019 0.3 . 1 . . . . . 42 THR CA . 52295 1 105 . 1 . 1 42 42 THR N N 15 119.342 0.3 . 1 . . . . . 42 THR N . 52295 1 106 . 1 . 1 43 43 LEU H H 1 8.789 0.020 . 1 . . . . . 43 LEU H . 52295 1 107 . 1 . 1 43 43 LEU CA C 13 55.232 0.3 . 1 . . . . . 43 LEU CA . 52295 1 108 . 1 . 1 43 43 LEU N N 15 119.432 0.3 . 1 . . . . . 43 LEU N . 52295 1 109 . 1 . 1 44 44 VAL H H 1 6.690 0.020 . 1 . . . . . 44 VAL H . 52295 1 110 . 1 . 1 44 44 VAL CA C 13 58.284 0.3 . 1 . . . . . 44 VAL CA . 52295 1 111 . 1 . 1 44 44 VAL N N 15 99.713 0.3 . 1 . . . . . 44 VAL N . 52295 1 112 . 1 . 1 45 45 ILE H H 1 8.807 0.020 . 1 . . . . . 45 ILE H . 52295 1 113 . 1 . 1 45 45 ILE CA C 13 59.108 0.3 . 1 . . . . . 45 ILE CA . 52295 1 114 . 1 . 1 45 45 ILE N N 15 116.827 0.3 . 1 . . . . . 45 ILE N . 52295 1 115 . 1 . 1 46 46 ILE H H 1 8.972 0.020 . 1 . . . . . 46 ILE H . 52295 1 116 . 1 . 1 46 46 ILE CA C 13 59.561 0.3 . 1 . . . . . 46 ILE CA . 52295 1 117 . 1 . 1 46 46 ILE N N 15 119.632 0.3 . 1 . . . . . 46 ILE N . 52295 1 118 . 1 . 1 47 47 GLU H H 1 10.213 0.020 . 1 . . . . . 47 GLU H . 52295 1 119 . 1 . 1 47 47 GLU CA C 13 55.324 0.3 . 1 . . . . . 47 GLU CA . 52295 1 120 . 1 . 1 47 47 GLU N N 15 129.962 0.3 . 1 . . . . . 47 GLU N . 52295 1 121 . 1 . 1 48 48 ALA H H 1 8.279 0.020 . 1 . . . . . 48 ALA H . 52295 1 122 . 1 . 1 48 48 ALA CA C 13 52.006 0.3 . 1 . . . . . 48 ALA CA . 52295 1 123 . 1 . 1 48 48 ALA N N 15 124.417 0.3 . 1 . . . . . 48 ALA N . 52295 1 124 . 1 . 1 49 49 MET H H 1 9.507 0.020 . 1 . . . . . 49 MET H . 52295 1 125 . 1 . 1 49 49 MET CA C 13 56.174 0.3 . 1 . . . . . 49 MET CA . 52295 1 126 . 1 . 1 49 49 MET N N 15 120.951 0.3 . 1 . . . . . 49 MET N . 52295 1 127 . 1 . 1 50 50 LYS H H 1 10.067 0.020 . 1 . . . . . 50 LYS H . 52295 1 128 . 1 . 1 50 50 LYS CA C 13 55.682 0.3 . 1 . . . . . 50 LYS CA . 52295 1 129 . 1 . 1 50 50 LYS N N 15 106.618 0.3 . 1 . . . . . 50 LYS N . 52295 1 130 . 1 . 1 51 51 VAL H H 1 8.004 0.020 . 1 . . . . . 51 VAL H . 52295 1 131 . 1 . 1 51 51 VAL CA C 13 62.224 0.3 . 1 . . . . . 51 VAL CA . 52295 1 132 . 1 . 1 51 51 VAL N N 15 117.900 0.3 . 1 . . . . . 51 VAL N . 52295 1 133 . 1 . 1 52 52 MET H H 1 8.686 0.020 . 1 . . . . . 52 MET H . 52295 1 134 . 1 . 1 52 52 MET CA C 13 51.917 0.3 . 1 . . . . . 52 MET CA . 52295 1 135 . 1 . 1 52 52 MET N N 15 120.743 0.3 . 1 . . . . . 52 MET N . 52295 1 136 . 1 . 1 53 53 ASN H H 1 7.977 0.020 . 1 . . . . . 53 ASN H . 52295 1 137 . 1 . 1 53 53 ASN CA C 13 53.221 0.3 . 1 . . . . . 53 ASN CA . 52295 1 138 . 1 . 1 53 53 ASN N N 15 118.144 0.3 . 1 . . . . . 53 ASN N . 52295 1 139 . 1 . 1 54 54 GLU H H 1 9.055 0.020 . 1 . . . . . 54 GLU H . 52295 1 140 . 1 . 1 54 54 GLU CA C 13 56.384 0.3 . 1 . . . . . 54 GLU CA . 52295 1 141 . 1 . 1 54 54 GLU N N 15 120.776 0.3 . 1 . . . . . 54 GLU N . 52295 1 142 . 1 . 1 55 55 ILE H H 1 8.507 0.020 . 1 . . . . . 55 ILE H . 52295 1 143 . 1 . 1 55 55 ILE CA C 13 54.734 0.3 . 1 . . . . . 55 ILE CA . 52295 1 144 . 1 . 1 55 55 ILE N N 15 122.799 0.3 . 1 . . . . . 55 ILE N . 52295 1 145 . 1 . 1 56 56 PRO CA C 13 60.478 0.3 . 1 . . . . . 56 PRO CA . 52295 1 146 . 1 . 1 56 56 PRO CB C 13 33.295 0.3 . 1 . . . . . 56 PRO CB . 52295 1 147 . 1 . 1 56 56 PRO CG C 13 26.217 0.3 . 1 . . . . . 56 PRO CG . 52295 1 148 . 1 . 1 57 57 ALA H H 1 8.767 0.020 . 1 . . . . . 57 ALA H . 52295 1 149 . 1 . 1 57 57 ALA CA C 13 49.562 0.3 . 1 . . . . . 57 ALA CA . 52295 1 150 . 1 . 1 57 57 ALA N N 15 117.581 0.3 . 1 . . . . . 57 ALA N . 52295 1 151 . 1 . 1 58 58 PRO CA C 13 63.218 0.3 . 1 . . . . . 58 PRO CA . 52295 1 152 . 1 . 1 58 58 PRO CB C 13 32.135 0.3 . 1 . . . . . 58 PRO CB . 52295 1 153 . 1 . 1 58 58 PRO CG C 13 26.913 0.3 . 1 . . . . . 58 PRO CG . 52295 1 154 . 1 . 1 59 59 LYS H H 1 7.086 0.020 . 1 . . . . . 59 LYS H . 52295 1 155 . 1 . 1 59 59 LYS CA C 13 53.499 0.3 . 1 . . . . . 59 LYS CA . 52295 1 156 . 1 . 1 59 59 LYS N N 15 109.079 0.3 . 1 . . . . . 59 LYS N . 52295 1 157 . 1 . 1 60 60 ASP H H 1 8.166 0.020 . 1 . . . . . 60 ASP H . 52295 1 158 . 1 . 1 60 60 ASP CA C 13 52.949 0.3 . 1 . . . . . 60 ASP CA . 52295 1 159 . 1 . 1 60 60 ASP N N 15 113.978 0.3 . 1 . . . . . 60 ASP N . 52295 1 160 . 1 . 1 61 61 GLY H H 1 8.178 0.020 . 1 . . . . . 61 GLY H . 52295 1 161 . 1 . 1 61 61 GLY CA C 13 45.859 0.3 . 1 . . . . . 61 GLY CA . 52295 1 162 . 1 . 1 61 61 GLY N N 15 104.741 0.3 . 1 . . . . . 61 GLY N . 52295 1 163 . 1 . 1 62 62 VAL H H 1 8.870 0.020 . 1 . . . . . 62 VAL H . 52295 1 164 . 1 . 1 62 62 VAL CA C 13 59.872 0.3 . 1 . . . . . 62 VAL CA . 52295 1 165 . 1 . 1 62 62 VAL N N 15 117.020 0.3 . 1 . . . . . 62 VAL N . 52295 1 166 . 1 . 1 63 63 VAL H H 1 8.726 0.020 . 1 . . . . . 63 VAL H . 52295 1 167 . 1 . 1 63 63 VAL CA C 13 62.586 0.3 . 1 . . . . . 63 VAL CA . 52295 1 168 . 1 . 1 63 63 VAL N N 15 122.252 0.3 . 1 . . . . . 63 VAL N . 52295 1 169 . 1 . 1 64 64 THR H H 1 8.866 0.020 . 1 . . . . . 64 THR H . 52295 1 170 . 1 . 1 64 64 THR CA C 13 61.386 0.3 . 1 . . . . . 64 THR CA . 52295 1 171 . 1 . 1 64 64 THR N N 15 116.014 0.3 . 1 . . . . . 64 THR N . 52295 1 172 . 1 . 1 65 65 GLU H H 1 7.341 0.020 . 1 . . . . . 65 GLU H . 52295 1 173 . 1 . 1 65 65 GLU CA C 13 56.239 0.3 . 1 . . . . . 65 GLU CA . 52295 1 174 . 1 . 1 65 65 GLU N N 15 115.549 0.3 . 1 . . . . . 65 GLU N . 52295 1 175 . 1 . 1 66 66 ILE H H 1 8.959 0.020 . 1 . . . . . 66 ILE H . 52295 1 176 . 1 . 1 66 66 ILE CA C 13 62.095 0.3 . 1 . . . . . 66 ILE CA . 52295 1 177 . 1 . 1 66 66 ILE N N 15 121.869 0.3 . 1 . . . . . 66 ILE N . 52295 1 178 . 1 . 1 67 67 LEU H H 1 8.161 0.020 . 1 . . . . . 67 LEU H . 52295 1 179 . 1 . 1 67 67 LEU CA C 13 56.738 0.3 . 1 . . . . . 67 LEU CA . 52295 1 180 . 1 . 1 67 67 LEU N N 15 121.869 0.3 . 1 . . . . . 67 LEU N . 52295 1 181 . 1 . 1 68 68 VAL H H 1 6.873 0.020 . 1 . . . . . 68 VAL H . 52295 1 182 . 1 . 1 68 68 VAL CA C 13 57.785 0.3 . 1 . . . . . 68 VAL CA . 52295 1 183 . 1 . 1 68 68 VAL N N 15 104.855 0.3 . 1 . . . . . 68 VAL N . 52295 1 184 . 1 . 1 69 69 SER H H 1 8.589 0.020 . 1 . . . . . 69 SER H . 52295 1 185 . 1 . 1 69 69 SER CA C 13 56.273 0.3 . 1 . . . . . 69 SER CA . 52295 1 186 . 1 . 1 69 69 SER N N 15 111.174 0.3 . 1 . . . . . 69 SER N . 52295 1 187 . 1 . 1 70 70 ASN H H 1 8.617 0.020 . 1 . . . . . 70 ASN H . 52295 1 188 . 1 . 1 70 70 ASN CA C 13 55.950 0.3 . 1 . . . . . 70 ASN CA . 52295 1 189 . 1 . 1 70 70 ASN N N 15 114.385 0.3 . 1 . . . . . 70 ASN N . 52295 1 190 . 1 . 1 71 71 GLU H H 1 9.000 0.020 . 1 . . . . . 71 GLU H . 52295 1 191 . 1 . 1 71 71 GLU CA C 13 58.236 0.3 . 1 . . . . . 71 GLU CA . 52295 1 192 . 1 . 1 71 71 GLU N N 15 115.937 0.3 . 1 . . . . . 71 GLU N . 52295 1 193 . 1 . 1 72 72 GLU H H 1 7.330 0.020 . 1 . . . . . 72 GLU H . 52295 1 194 . 1 . 1 72 72 GLU CA C 13 56.360 0.3 . 1 . . . . . 72 GLU CA . 52295 1 195 . 1 . 1 72 72 GLU N N 15 117.724 0.3 . 1 . . . . . 72 GLU N . 52295 1 196 . 1 . 1 73 73 MET H H 1 8.525 0.020 . 1 . . . . . 73 MET H . 52295 1 197 . 1 . 1 73 73 MET CA C 13 55.207 0.3 . 1 . . . . . 73 MET CA . 52295 1 198 . 1 . 1 73 73 MET N N 15 121.836 0.3 . 1 . . . . . 73 MET N . 52295 1 199 . 1 . 1 74 74 VAL H H 1 9.328 0.020 . 1 . . . . . 74 VAL H . 52295 1 200 . 1 . 1 74 74 VAL CA C 13 58.743 0.3 . 1 . . . . . 74 VAL CA . 52295 1 201 . 1 . 1 74 74 VAL N N 15 115.937 0.3 . 1 . . . . . 74 VAL N . 52295 1 202 . 1 . 1 75 75 GLU H H 1 7.459 0.020 . 1 . . . . . 75 GLU H . 52295 1 203 . 1 . 1 75 75 GLU CA C 13 53.722 0.3 . 1 . . . . . 75 GLU CA . 52295 1 204 . 1 . 1 75 75 GLU N N 15 114.976 0.3 . 1 . . . . . 75 GLU N . 52295 1 205 . 1 . 1 76 76 PHE H H 1 7.786 0.020 . 1 . . . . . 76 PHE H . 52295 1 206 . 1 . 1 76 76 PHE CA C 13 59.559 0.3 . 1 . . . . . 76 PHE CA . 52295 1 207 . 1 . 1 76 76 PHE N N 15 115.190 0.3 . 1 . . . . . 76 PHE N . 52295 1 208 . 1 . 1 77 77 GLY H H 1 8.676 0.020 . 1 . . . . . 77 GLY H . 52295 1 209 . 1 . 1 77 77 GLY CA C 13 44.364 0.3 . 1 . . . . . 77 GLY CA . 52295 1 210 . 1 . 1 77 77 GLY N N 15 111.927 0.3 . 1 . . . . . 77 GLY N . 52295 1 211 . 1 . 1 78 78 LYS H H 1 7.311 0.020 . 1 . . . . . 78 LYS H . 52295 1 212 . 1 . 1 78 78 LYS CA C 13 55.128 0.3 . 1 . . . . . 78 LYS CA . 52295 1 213 . 1 . 1 78 78 LYS N N 15 116.683 0.3 . 1 . . . . . 78 LYS N . 52295 1 214 . 1 . 1 79 79 GLY H H 1 8.880 0.020 . 1 . . . . . 79 GLY H . 52295 1 215 . 1 . 1 79 79 GLY CA C 13 46.853 0.3 . 1 . . . . . 79 GLY CA . 52295 1 216 . 1 . 1 79 79 GLY N N 15 110.154 0.3 . 1 . . . . . 79 GLY N . 52295 1 217 . 1 . 1 80 80 LEU H H 1 8.920 0.020 . 1 . . . . . 80 LEU H . 52295 1 218 . 1 . 1 80 80 LEU CA C 13 55.753 0.3 . 1 . . . . . 80 LEU CA . 52295 1 219 . 1 . 1 80 80 LEU N N 15 117.949 0.3 . 1 . . . . . 80 LEU N . 52295 1 220 . 1 . 1 81 81 VAL H H 1 6.843 0.020 . 1 . . . . . 81 VAL H . 52295 1 221 . 1 . 1 81 81 VAL CA C 13 58.747 0.3 . 1 . . . . . 81 VAL CA . 52295 1 222 . 1 . 1 81 81 VAL N N 15 107.908 0.3 . 1 . . . . . 81 VAL N . 52295 1 223 . 1 . 1 82 82 ARG H H 1 8.850 0.020 . 1 . . . . . 82 ARG H . 52295 1 224 . 1 . 1 82 82 ARG CA C 13 54.736 0.3 . 1 . . . . . 82 ARG CA . 52295 1 225 . 1 . 1 82 82 ARG N N 15 122.536 0.3 . 1 . . . . . 82 ARG N . 52295 1 226 . 1 . 1 83 83 ILE H H 1 8.481 0.020 . 1 . . . . . 83 ILE H . 52295 1 227 . 1 . 1 83 83 ILE CA C 13 58.789 0.3 . 1 . . . . . 83 ILE CA . 52295 1 228 . 1 . 1 83 83 ILE N N 15 119.692 0.3 . 1 . . . . . 83 ILE N . 52295 1 229 . 1 . 1 84 84 LYS H H 1 9.372 0.020 . 1 . . . . . 84 LYS H . 52295 1 230 . 1 . 1 84 84 LYS CA C 13 57.324 0.3 . 1 . . . . . 84 LYS CA . 52295 1 231 . 1 . 1 84 84 LYS N N 15 130.356 0.3 . 1 . . . . . 84 LYS N . 52295 1 stop_ save_