################################### # 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 52105 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_1 _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' . . . 52105 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 . . 52105 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 2 2 GLN H H 1 8.866 . . 1 . . . A . 2 GLN H . 52105 1 2 . 1 . 1 2 2 GLN N N 15 122.889 . . 1 . . . A . 2 GLN N . 52105 1 3 . 1 . 1 3 3 ILE H H 1 8.205 . . 1 . . . A . 3 ILE H . 52105 1 4 . 1 . 1 3 3 ILE N N 15 115.103 . . 1 . . . A . 3 ILE N . 52105 1 5 . 1 . 1 4 4 PHE H H 1 8.508 . . 1 . . . A . 4 PHE H . 52105 1 6 . 1 . 1 4 4 PHE N N 15 118.681 . . 1 . . . A . 4 PHE N . 52105 1 7 . 1 . 1 5 5 VAL H H 1 9.192 . . 1 . . . A . 5 VAL H . 52105 1 8 . 1 . 1 5 5 VAL N N 15 121.411 . . 1 . . . A . 5 VAL N . 52105 1 9 . 1 . 1 6 6 LYS H H 1 8.924 . . 1 . . . A . 6 LYS H . 52105 1 10 . 1 . 1 6 6 LYS HZ H 1 7.666 . . 1 . . . A . 6 LYS HZ . 52105 1 11 . 1 . 1 6 6 LYS N N 15 128.743 . . 1 . . . A . 6 LYS N . 52105 1 12 . 1 . 1 6 6 LYS NZ N 15 120.278 . . 1 . . . A . 6 LYS NZ . 52105 1 13 . 1 . 1 7 7 THR H H 1 8.699 . . 1 . . . A . 7 THR H . 52105 1 14 . 1 . 1 7 7 THR N N 15 115.902 . . 1 . . . A . 7 THR N . 52105 1 15 . 1 . 1 8 8 LEU H H 1 9.021 . . 1 . . . A . 8 LEU H . 52105 1 16 . 1 . 1 8 8 LEU N N 15 120.728 . . 1 . . . A . 8 LEU N . 52105 1 17 . 1 . 1 9 9 THR H H 1 7.531 . . 1 . . . A . 9 THR H . 52105 1 18 . 1 . 1 9 9 THR N N 15 105.44 . . 1 . . . A . 9 THR N . 52105 1 19 . 1 . 1 10 10 GLY H H 1 7.753 . . 1 . . . A . 10 GLY H . 52105 1 20 . 1 . 1 10 10 GLY N N 15 109.262 . . 1 . . . A . 10 GLY N . 52105 1 21 . 1 . 1 11 11 LYS H H 1 7.195 . . 1 . . . A . 11 LYS H . 52105 1 22 . 1 . 1 11 11 LYS N N 15 121.871 . . 1 . . . A . 11 LYS N . 52105 1 23 . 1 . 1 12 12 THR H H 1 8.542 . . 1 . . . A . 12 THR H . 52105 1 24 . 1 . 1 12 12 THR N N 15 120.621 . . 1 . . . A . 12 THR N . 52105 1 25 . 1 . 1 13 13 ILE H H 1 9.473 . . 1 . . . A . 13 ILE H . 52105 1 26 . 1 . 1 13 13 ILE N N 15 127.693 . . 1 . . . A . 13 ILE N . 52105 1 27 . 1 . 1 14 14 THR H H 1 8.65 . . 1 . . . A . 14 THR H . 52105 1 28 . 1 . 1 14 14 THR N N 15 121.699 . . 1 . . . A . 14 THR N . 52105 1 29 . 1 . 1 15 15 LEU H H 1 8.637 . . 1 . . . A . 15 LEU H . 52105 1 30 . 1 . 1 15 15 LEU N N 15 125.211 . . 1 . . . A . 15 LEU N . 52105 1 31 . 1 . 1 16 16 GLU H H 1 8.025 . . 1 . . . A . 16 GLU H . 52105 1 32 . 1 . 1 16 16 GLU N N 15 122.465 . . 1 . . . A . 16 GLU N . 52105 1 33 . 1 . 1 17 17 VAL H H 1 8.853 . . 1 . . . A . 17 VAL H . 52105 1 34 . 1 . 1 17 17 VAL N N 15 117.579 . . 1 . . . A . 17 VAL N . 52105 1 35 . 1 . 1 18 18 GLU H H 1 8.556 . . 1 . . . A . 18 GLU H . 52105 1 36 . 1 . 1 18 18 GLU N N 15 119.311 . . 1 . . . A . 18 GLU N . 52105 1 37 . 1 . 1 20 20 SER H H 1 6.935 . . 1 . . . A . 20 SER H . 52105 1 38 . 1 . 1 20 20 SER N N 15 103.442 . . 1 . . . A . 20 SER N . 52105 1 39 . 1 . 1 21 21 ASP H H 1 7.961 . . 1 . . . A . 21 ASP H . 52105 1 40 . 1 . 1 21 21 ASP N N 15 124.006 . . 1 . . . A . 21 ASP N . 52105 1 41 . 1 . 1 22 22 THR H H 1 7.803 . . 1 . . . A . 22 THR H . 52105 1 42 . 1 . 1 22 22 THR N N 15 109.107 . . 1 . . . A . 22 THR N . 52105 1 43 . 1 . 1 23 23 ILE H H 1 8.421 . . 1 . . . A . 23 ILE H . 52105 1 44 . 1 . 1 23 23 ILE N N 15 121.244 . . 1 . . . A . 23 ILE N . 52105 1 45 . 1 . 1 25 25 ASN H H 1 7.834 . . 1 . . . A . 25 ASN H . 52105 1 46 . 1 . 1 25 25 ASN N N 15 121.601 . . 1 . . . A . 25 ASN N . 52105 1 47 . 1 . 1 26 26 VAL H H 1 8.021 . . 1 . . . A . 26 VAL H . 52105 1 48 . 1 . 1 26 26 VAL N N 15 122.342 . . 1 . . . A . 26 VAL N . 52105 1 49 . 1 . 1 27 27 LYS H H 1 8.47 . . 1 . . . A . 27 LYS H . 52105 1 50 . 1 . 1 27 27 LYS N N 15 118.976 . . 1 . . . A . 27 LYS N . 52105 1 51 . 1 . 1 28 28 ALA H H 1 7.874 . . 1 . . . A . 28 ALA H . 52105 1 52 . 1 . 1 28 28 ALA N N 15 123.449 . . 1 . . . A . 28 ALA N . 52105 1 53 . 1 . 1 29 29 LYS H H 1 7.773 . . 1 . . . A . 29 LYS H . 52105 1 54 . 1 . 1 29 29 LYS N N 15 120.305 . . 1 . . . A . 29 LYS N . 52105 1 55 . 1 . 1 30 30 ILE H H 1 8.185 . . 1 . . . A . 30 ILE H . 52105 1 56 . 1 . 1 30 30 ILE N N 15 121.421 . . 1 . . . A . 30 ILE N . 52105 1 57 . 1 . 1 31 31 GLN H H 1 8.46 . . 1 . . . A . 31 GLN H . 52105 1 58 . 1 . 1 31 31 GLN N N 15 123.625 . . 1 . . . A . 31 GLN N . 52105 1 59 . 1 . 1 32 32 ASP H H 1 7.958 . . 1 . . . A . 32 ASP H . 52105 1 60 . 1 . 1 32 32 ASP N N 15 119.849 . . 1 . . . A . 32 ASP N . 52105 1 61 . 1 . 1 33 33 LYS H H 1 7.341 . . 1 . . . A . 33 LYS H . 52105 1 62 . 1 . 1 33 33 LYS N N 15 115.579 . . 1 . . . A . 33 LYS N . 52105 1 63 . 1 . 1 34 34 GLU H H 1 8.628 . . 1 . . . A . 34 GLU H . 52105 1 64 . 1 . 1 34 34 GLU N N 15 114.355 . . 1 . . . A . 34 GLU N . 52105 1 65 . 1 . 1 35 35 GLY H H 1 8.408 . . 1 . . . A . 35 GLY H . 52105 1 66 . 1 . 1 35 35 GLY N N 15 108.974 . . 1 . . . A . 35 GLY N . 52105 1 67 . 1 . 1 36 36 ILE H H 1 6.055 . . 1 . . . A . 36 ILE H . 52105 1 68 . 1 . 1 36 36 ILE N N 15 120.45 . . 1 . . . A . 36 ILE N . 52105 1 69 . 1 . 1 39 39 ASP H H 1 8.447 . . 1 . . . A . 39 ASP H . 52105 1 70 . 1 . 1 39 39 ASP N N 15 113.699 . . 1 . . . A . 39 ASP N . 52105 1 71 . 1 . 1 40 40 GLN H H 1 7.715 . . 1 . . . A . 40 GLN H . 52105 1 72 . 1 . 1 40 40 GLN N N 15 116.929 . . 1 . . . A . 40 GLN N . 52105 1 73 . 1 . 1 41 41 GLN H H 1 7.388 . . 1 . . . A . 41 GLN H . 52105 1 74 . 1 . 1 41 41 GLN N N 15 118.029 . . 1 . . . A . 41 GLN N . 52105 1 75 . 1 . 1 42 42 ARG H H 1 8.396 . . 1 . . . A . 42 ARG H . 52105 1 76 . 1 . 1 42 42 ARG N N 15 123.098 . . 1 . . . A . 42 ARG N . 52105 1 77 . 1 . 1 43 43 LEU H H 1 8.786 . . 1 . . . A . 43 LEU H . 52105 1 78 . 1 . 1 43 43 LEU N N 15 124.607 . . 1 . . . A . 43 LEU N . 52105 1 79 . 1 . 1 44 44 ILE H H 1 9.06 . . 1 . . . A . 44 ILE H . 52105 1 80 . 1 . 1 44 44 ILE N N 15 122.514 . . 1 . . . A . 44 ILE N . 52105 1 81 . 1 . 1 45 45 PHE H H 1 8.788 . . 1 . . . A . 45 PHE H . 52105 1 82 . 1 . 1 45 45 PHE N N 15 124.944 . . 1 . . . A . 45 PHE N . 52105 1 83 . 1 . 1 46 46 ALA H H 1 9.012 . . 1 . . . A . 46 ALA H . 52105 1 84 . 1 . 1 46 46 ALA N N 15 133.455 . . 1 . . . A . 46 ALA N . 52105 1 85 . 1 . 1 47 47 GLY H H 1 8.043 . . 1 . . . A . 47 GLY H . 52105 1 86 . 1 . 1 47 47 GLY N N 15 102.412 . . 1 . . . A . 47 GLY N . 52105 1 87 . 1 . 1 48 48 ARG H H 1 7.842 . . 1 . . . A . 48 ARG H . 52105 1 88 . 1 . 1 48 48 ARG N N 15 120.969 . . 1 . . . A . 48 ARG N . 52105 1 89 . 1 . 1 49 49 GLN H H 1 8.564 . . 1 . . . A . 49 GLN H . 52105 1 90 . 1 . 1 49 49 GLN N N 15 123.623 . . 1 . . . A . 49 GLN N . 52105 1 91 . 1 . 1 50 50 LEU H H 1 8.481 . . 1 . . . A . 50 LEU H . 52105 1 92 . 1 . 1 50 50 LEU N N 15 125.825 . . 1 . . . A . 50 LEU N . 52105 1 93 . 1 . 1 51 51 GLU H H 1 8.301 . . 1 . . . A . 51 GLU H . 52105 1 94 . 1 . 1 51 51 GLU N N 15 123.112 . . 1 . . . A . 51 GLU N . 52105 1 95 . 1 . 1 52 52 ASP H H 1 8.09 . . 1 . . . A . 52 ASP H . 52105 1 96 . 1 . 1 52 52 ASP N N 15 120.453 . . 1 . . . A . 52 ASP N . 52105 1 97 . 1 . 1 54 54 ARG H H 1 7.374 . . 1 . . . A . 54 ARG H . 52105 1 98 . 1 . 1 54 54 ARG N N 15 119.437 . . 1 . . . A . 54 ARG N . 52105 1 99 . 1 . 1 55 55 THR H H 1 8.75 . . 1 . . . A . 55 THR H . 52105 1 100 . 1 . 1 55 55 THR N N 15 108.913 . . 1 . . . A . 55 THR N . 52105 1 101 . 1 . 1 56 56 LEU H H 1 8.058 . . 1 . . . A . 56 LEU H . 52105 1 102 . 1 . 1 56 56 LEU N N 15 118.065 . . 1 . . . A . 56 LEU N . 52105 1 103 . 1 . 1 57 57 SER H H 1 8.399 . . 1 . . . A . 57 SER H . 52105 1 104 . 1 . 1 57 57 SER N N 15 113.575 . . 1 . . . A . 57 SER N . 52105 1 105 . 1 . 1 58 58 ASP H H 1 7.838 . . 1 . . . A . 58 ASP H . 52105 1 106 . 1 . 1 58 58 ASP N N 15 124.588 . . 1 . . . A . 58 ASP N . 52105 1 107 . 1 . 1 59 59 TYR H H 1 7.185 . . 1 . . . A . 59 TYR H . 52105 1 108 . 1 . 1 59 59 TYR N N 15 115.847 . . 1 . . . A . 59 TYR N . 52105 1 109 . 1 . 1 60 60 ASN H H 1 8.059 . . 1 . . . A . 60 ASN H . 52105 1 110 . 1 . 1 60 60 ASN N N 15 115.938 . . 1 . . . A . 60 ASN N . 52105 1 111 . 1 . 1 61 61 ILE H H 1 7.133 . . 1 . . . A . 61 ILE H . 52105 1 112 . 1 . 1 61 61 ILE N N 15 118.945 . . 1 . . . A . 61 ILE N . 52105 1 113 . 1 . 1 62 62 GLN H H 1 7.529 . . 1 . . . A . 62 GLN H . 52105 1 114 . 1 . 1 62 62 GLN N N 15 125.014 . . 1 . . . A . 62 GLN N . 52105 1 115 . 1 . 1 63 63 LYS H H 1 8.413 . . 1 . . . A . 63 LYS H . 52105 1 116 . 1 . 1 63 63 LYS N N 15 120.655 . . 1 . . . A . 63 LYS N . 52105 1 117 . 1 . 1 64 64 GLU H H 1 9.235 . . 1 . . . A . 64 GLU H . 52105 1 118 . 1 . 1 64 64 GLU N N 15 114.737 . . 1 . . . A . 64 GLU N . 52105 1 119 . 1 . 1 65 65 SER H H 1 7.572 . . 1 . . . A . 65 SER H . 52105 1 120 . 1 . 1 65 65 SER N N 15 114.996 . . 1 . . . A . 65 SER N . 52105 1 121 . 1 . 1 66 66 THR H H 1 8.604 . . 1 . . . A . 66 THR H . 52105 1 122 . 1 . 1 66 66 THR N N 15 117.574 . . 1 . . . A . 66 THR N . 52105 1 123 . 1 . 1 67 67 LEU H H 1 9.315 . . 1 . . . A . 67 LEU H . 52105 1 124 . 1 . 1 67 67 LEU N N 15 127.96 . . 1 . . . A . 67 LEU N . 52105 1 125 . 1 . 1 68 68 HIS H H 1 9.126 . . 1 . . . A . 68 HIS H . 52105 1 126 . 1 . 1 68 68 HIS N N 15 119.472 . . 1 . . . A . 68 HIS N . 52105 1 127 . 1 . 1 69 69 LEU H H 1 8.223 . . 1 . . . A . 69 LEU H . 52105 1 128 . 1 . 1 69 69 LEU N N 15 123.731 . . 1 . . . A . 69 LEU N . 52105 1 129 . 1 . 1 70 70 VAL H H 1 9.075 . . 1 . . . A . 70 VAL H . 52105 1 130 . 1 . 1 70 70 VAL N N 15 126.586 . . 1 . . . A . 70 VAL N . 52105 1 131 . 1 . 1 71 71 LEU H H 1 7.997 . . 1 . . . A . 71 LEU H . 52105 1 132 . 1 . 1 71 71 LEU N N 15 123.17 . . 1 . . . A . 71 LEU N . 52105 1 133 . 1 . 1 72 72 ARG H H 1 8.53 . . 1 . . . A . 72 ARG H . 52105 1 134 . 1 . 1 72 72 ARG N N 15 123.686 . . 1 . . . A . 72 ARG N . 52105 1 135 . 1 . 1 73 73 LEU H H 1 8.342 . . 1 . . . A . 73 LEU H . 52105 1 136 . 1 . 1 73 73 LEU N N 15 124.743 . . 1 . . . A . 73 LEU N . 52105 1 137 . 1 . 1 74 74 ARG H H 1 8.364 . . 1 . . . A . 74 ARG H . 52105 1 138 . 1 . 1 74 74 ARG N N 15 121.637 . . 1 . . . A . 74 ARG N . 52105 1 139 . 1 . 1 75 75 GLY H H 1 8.441 . . 1 . . . A . 75 GLY H . 52105 1 140 . 1 . 1 75 75 GLY N N 15 110.641 . . 1 . . . A . 75 GLY N . 52105 1 141 . 1 . 1 76 76 GLY H H 1 8.147 . . 1 . . . A . 76 GLY H . 52105 1 142 . 1 . 1 76 76 GLY N N 15 109.343 . . 1 . . . A . 76 GLY N . 52105 1 143 . 1 . 1 77 77 ASP H H 1 7.891 . . 1 . . . A . 77 ASP H . 52105 1 144 . 1 . 1 77 77 ASP N N 15 125.703 . . 1 . . . A . 77 ASP N . 52105 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52105 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 52105 2 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 . . 52105 2 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 . 2 . 2 2 2 GLN H H 1 8.855 . . 1 . . . B . 2 GLN H . 52105 2 2 . 2 . 2 2 2 GLN N N 15 122.905 . . 1 . . . B . 2 GLN N . 52105 2 3 . 2 . 2 3 3 ILE H H 1 8.234 . . 1 . . . B . 3 ILE H . 52105 2 4 . 2 . 2 3 3 ILE N N 15 115.261 . . 1 . . . B . 3 ILE N . 52105 2 5 . 2 . 2 4 4 PHE H H 1 8.56 . . 1 . . . B . 4 PHE H . 52105 2 6 . 2 . 2 4 4 PHE N N 15 118.725 . . 1 . . . B . 4 PHE N . 52105 2 7 . 2 . 2 5 5 VAL H H 1 9.151 . . 1 . . . B . 5 VAL H . 52105 2 8 . 2 . 2 5 5 VAL N N 15 120.931 . . 1 . . . B . 5 VAL N . 52105 2 9 . 2 . 2 6 6 ARG H H 1 8.944 . . 1 . . . B . 6 ARG H . 52105 2 10 . 2 . 2 6 6 ARG N N 15 128.445 . . 1 . . . B . 6 ARG N . 52105 2 11 . 2 . 2 7 7 THR H H 1 8.785 . . 1 . . . B . 7 THR H . 52105 2 12 . 2 . 2 7 7 THR N N 15 117.154 . . 1 . . . B . 7 THR N . 52105 2 13 . 2 . 2 8 8 LEU H H 1 8.882 . . 1 . . . B . 8 LEU H . 52105 2 14 . 2 . 2 8 8 LEU N N 15 120.258 . . 1 . . . B . 8 LEU N . 52105 2 15 . 2 . 2 9 9 THR H H 1 7.553 . . 1 . . . B . 9 THR H . 52105 2 16 . 2 . 2 9 9 THR N N 15 105.911 . . 1 . . . B . 9 THR N . 52105 2 17 . 2 . 2 10 10 GLY H H 1 7.788 . . 1 . . . B . 10 GLY H . 52105 2 18 . 2 . 2 10 10 GLY N N 15 109.432 . . 1 . . . B . 10 GLY N . 52105 2 19 . 2 . 2 11 11 LYS H H 1 7.148 . . 1 . . . B . 11 LYS H . 52105 2 20 . 2 . 2 11 11 LYS N N 15 121.742 . . 1 . . . B . 11 LYS N . 52105 2 21 . 2 . 2 12 12 THR H H 1 8.562 . . 1 . . . B . 12 THR H . 52105 2 22 . 2 . 2 12 12 THR N N 15 120.351 . . 1 . . . B . 12 THR N . 52105 2 23 . 2 . 2 13 13 ILE H H 1 9.351 . . 1 . . . B . 13 ILE H . 52105 2 24 . 2 . 2 13 13 ILE N N 15 126.421 . . 1 . . . B . 13 ILE N . 52105 2 25 . 2 . 2 14 14 THR H H 1 8.629 . . 1 . . . B . 14 THR H . 52105 2 26 . 2 . 2 14 14 THR N N 15 120.759 . . 1 . . . B . 14 THR N . 52105 2 27 . 2 . 2 15 15 LEU H H 1 8.688 . . 1 . . . B . 15 LEU H . 52105 2 28 . 2 . 2 15 15 LEU N N 15 125.093 . . 1 . . . B . 15 LEU N . 52105 2 29 . 2 . 2 16 16 GLU H H 1 8.04 . . 1 . . . B . 16 GLU H . 52105 2 30 . 2 . 2 16 16 GLU N N 15 122.573 . . 1 . . . B . 16 GLU N . 52105 2 31 . 2 . 2 17 17 VAL H H 1 8.845 . . 1 . . . B . 17 VAL H . 52105 2 32 . 2 . 2 17 17 VAL N N 15 117.58 . . 1 . . . B . 17 VAL N . 52105 2 33 . 2 . 2 18 18 GLU H H 1 8.563 . . 1 . . . B . 18 GLU H . 52105 2 34 . 2 . 2 18 18 GLU N N 15 119.344 . . 1 . . . B . 18 GLU N . 52105 2 35 . 2 . 2 20 20 SER H H 1 6.932 . . 1 . . . B . 20 SER H . 52105 2 36 . 2 . 2 20 20 SER N N 15 103.459 . . 1 . . . B . 20 SER N . 52105 2 37 . 2 . 2 21 21 ASP H H 1 7.962 . . 1 . . . B . 21 ASP H . 52105 2 38 . 2 . 2 21 21 ASP N N 15 123.978 . . 1 . . . B . 21 ASP N . 52105 2 39 . 2 . 2 22 22 THR H H 1 7.804 . . 1 . . . B . 22 THR H . 52105 2 40 . 2 . 2 22 22 THR N N 15 109.074 . . 1 . . . B . 22 THR N . 52105 2 41 . 2 . 2 23 23 ILE H H 1 8.425 . . 1 . . . B . 23 ILE H . 52105 2 42 . 2 . 2 23 23 ILE N N 15 121.144 . . 1 . . . B . 23 ILE N . 52105 2 43 . 2 . 2 25 25 ASN H H 1 7.839 . . 1 . . . B . 25 ASN H . 52105 2 44 . 2 . 2 25 25 ASN N N 15 121.636 . . 1 . . . B . 25 ASN N . 52105 2 45 . 2 . 2 26 26 VAL H H 1 8.004 . . 1 . . . B . 26 VAL H . 52105 2 46 . 2 . 2 26 26 VAL N N 15 122.199 . . 1 . . . B . 26 VAL N . 52105 2 47 . 2 . 2 27 27 LYS H H 1 8.498 . . 1 . . . B . 27 LYS H . 52105 2 48 . 2 . 2 27 27 LYS N N 15 118.982 . . 1 . . . B . 27 LYS N . 52105 2 49 . 2 . 2 28 28 ALA H H 1 7.885 . . 1 . . . B . 28 ALA H . 52105 2 50 . 2 . 2 28 28 ALA N N 15 123.585 . . 1 . . . B . 28 ALA N . 52105 2 51 . 2 . 2 29 29 LYS H H 1 7.738 . . 1 . . . B . 29 LYS H . 52105 2 52 . 2 . 2 29 29 LYS N N 15 120.256 . . 1 . . . B . 29 LYS N . 52105 2 53 . 2 . 2 30 30 ILE H H 1 8.196 . . 1 . . . B . 30 ILE H . 52105 2 54 . 2 . 2 30 30 ILE N N 15 121.308 . . 1 . . . B . 30 ILE N . 52105 2 55 . 2 . 2 31 31 GLN H H 1 8.485 . . 1 . . . B . 31 GLN H . 52105 2 56 . 2 . 2 31 31 GLN N N 15 123.661 . . 1 . . . B . 31 GLN N . 52105 2 57 . 2 . 2 32 32 ASP H H 1 7.869 . . 1 . . . B . 32 ASP H . 52105 2 58 . 2 . 2 32 32 ASP N N 15 119.649 . . 1 . . . B . 32 ASP N . 52105 2 59 . 2 . 2 33 33 LYS H H 1 7.284 . . 1 . . . B . 33 LYS H . 52105 2 60 . 2 . 2 33 33 LYS N N 15 115.446 . . 1 . . . B . 33 LYS N . 52105 2 61 . 2 . 2 34 34 GLU H H 1 8.662 . . 1 . . . B . 34 GLU H . 52105 2 62 . 2 . 2 34 34 GLU N N 15 114.419 . . 1 . . . B . 34 GLU N . 52105 2 63 . 2 . 2 35 35 GLY H H 1 8.431 . . 1 . . . B . 35 GLY H . 52105 2 64 . 2 . 2 35 35 GLY N N 15 108.791 . . 1 . . . B . 35 GLY N . 52105 2 65 . 2 . 2 36 36 ILE H H 1 6.052 . . 1 . . . B . 36 ILE H . 52105 2 66 . 2 . 2 36 36 ILE N N 15 119.914 . . 1 . . . B . 36 ILE N . 52105 2 67 . 2 . 2 39 39 ASP H H 1 8.449 . . 1 . . . B . 39 ASP H . 52105 2 68 . 2 . 2 39 39 ASP N N 15 113.679 . . 1 . . . B . 39 ASP N . 52105 2 69 . 2 . 2 40 40 GLN H H 1 7.742 . . 1 . . . B . 40 GLN H . 52105 2 70 . 2 . 2 40 40 GLN N N 15 117.033 . . 1 . . . B . 40 GLN N . 52105 2 71 . 2 . 2 41 41 GLN H H 1 7.395 . . 1 . . . B . 41 GLN H . 52105 2 72 . 2 . 2 41 41 GLN N N 15 118.226 . . 1 . . . B . 41 GLN N . 52105 2 73 . 2 . 2 42 42 ARG H H 1 8.432 . . 1 . . . B . 42 ARG H . 52105 2 74 . 2 . 2 42 42 ARG N N 15 123.096 . . 1 . . . B . 42 ARG N . 52105 2 75 . 2 . 2 43 43 LEU H H 1 8.757 . . 1 . . . B . 43 LEU H . 52105 2 76 . 2 . 2 43 43 LEU N N 15 124.554 . . 1 . . . B . 43 LEU N . 52105 2 77 . 2 . 2 44 44 ILE H H 1 8.995 . . 1 . . . B . 44 ILE H . 52105 2 78 . 2 . 2 44 44 ILE N N 15 122.313 . . 1 . . . B . 44 ILE N . 52105 2 79 . 2 . 2 45 45 PHE H H 1 8.754 . . 1 . . . B . 45 PHE H . 52105 2 80 . 2 . 2 45 45 PHE N N 15 124.798 . . 1 . . . B . 45 PHE N . 52105 2 81 . 2 . 2 46 46 ALA H H 1 8.947 . . 1 . . . B . 46 ALA H . 52105 2 82 . 2 . 2 46 46 ALA N N 15 133.4 . . 1 . . . B . 46 ALA N . 52105 2 83 . 2 . 2 47 47 GLY H H 1 8.003 . . 1 . . . B . 47 GLY H . 52105 2 84 . 2 . 2 47 47 GLY N N 15 102.401 . . 1 . . . B . 47 GLY N . 52105 2 85 . 2 . 2 48 48 ARG H H 1 7.892 . . 1 . . . B . 48 ARG H . 52105 2 86 . 2 . 2 48 48 ARG N N 15 121.526 . . 1 . . . B . 48 ARG N . 52105 2 87 . 2 . 2 49 49 GLN H H 1 8.628 . . 1 . . . B . 49 GLN H . 52105 2 88 . 2 . 2 49 49 GLN N N 15 123.453 . . 1 . . . B . 49 GLN N . 52105 2 89 . 2 . 2 50 50 LEU H H 1 8.464 . . 1 . . . B . 50 LEU H . 52105 2 90 . 2 . 2 50 50 LEU N N 15 125.617 . . 1 . . . B . 50 LEU N . 52105 2 91 . 2 . 2 51 51 GLU H H 1 8.292 . . 1 . . . B . 51 GLU H . 52105 2 92 . 2 . 2 51 51 GLU N N 15 123.235 . . 1 . . . B . 51 GLU N . 52105 2 93 . 2 . 2 52 52 ASP H H 1 8.074 . . 1 . . . B . 52 ASP H . 52105 2 94 . 2 . 2 52 52 ASP N N 15 120.403 . . 1 . . . B . 52 ASP N . 52105 2 95 . 2 . 2 54 54 ARG H H 1 7.375 . . 1 . . . B . 54 ARG H . 52105 2 96 . 2 . 2 54 54 ARG N N 15 119.412 . . 1 . . . B . 54 ARG N . 52105 2 97 . 2 . 2 55 55 THR H H 1 8.758 . . 1 . . . B . 55 THR H . 52105 2 98 . 2 . 2 55 55 THR N N 15 108.954 . . 1 . . . B . 55 THR N . 52105 2 99 . 2 . 2 56 56 LEU H H 1 8.062 . . 1 . . . B . 56 LEU H . 52105 2 100 . 2 . 2 56 56 LEU N N 15 118.082 . . 1 . . . B . 56 LEU N . 52105 2 101 . 2 . 2 57 57 SER H H 1 8.398 . . 1 . . . B . 57 SER H . 52105 2 102 . 2 . 2 57 57 SER N N 15 113.595 . . 1 . . . B . 57 SER N . 52105 2 103 . 2 . 2 58 58 ASP H H 1 7.84 . . 1 . . . B . 58 ASP H . 52105 2 104 . 2 . 2 58 58 ASP N N 15 124.598 . . 1 . . . B . 58 ASP N . 52105 2 105 . 2 . 2 59 59 TYR H H 1 7.164 . . 1 . . . B . 59 TYR H . 52105 2 106 . 2 . 2 59 59 TYR N N 15 115.793 . . 1 . . . B . 59 TYR N . 52105 2 107 . 2 . 2 60 60 ASN H H 1 8.059 . . 1 . . . B . 60 ASN H . 52105 2 108 . 2 . 2 60 60 ASN N N 15 116.015 . . 1 . . . B . 60 ASN N . 52105 2 109 . 2 . 2 61 61 ILE H H 1 7.129 . . 1 . . . B . 61 ILE H . 52105 2 110 . 2 . 2 61 61 ILE N N 15 118.877 . . 1 . . . B . 61 ILE N . 52105 2 111 . 2 . 2 62 62 GLN H H 1 7.533 . . 1 . . . B . 62 GLN H . 52105 2 112 . 2 . 2 62 62 GLN N N 15 125.03 . . 1 . . . B . 62 GLN N . 52105 2 113 . 2 . 2 63 63 LYS H H 1 8.429 . . 1 . . . B . 63 LYS H . 52105 2 114 . 2 . 2 63 63 LYS N N 15 120.7 . . 1 . . . B . 63 LYS N . 52105 2 115 . 2 . 2 64 64 GLU H H 1 9.249 . . 1 . . . B . 64 GLU H . 52105 2 116 . 2 . 2 64 64 GLU N N 15 114.539 . . 1 . . . B . 64 GLU N . 52105 2 117 . 2 . 2 65 65 SER H H 1 7.556 . . 1 . . . B . 65 SER H . 52105 2 118 . 2 . 2 65 65 SER N N 15 115.049 . . 1 . . . B . 65 SER N . 52105 2 119 . 2 . 2 66 66 THR H H 1 8.643 . . 1 . . . B . 66 THR H . 52105 2 120 . 2 . 2 66 66 THR N N 15 117.598 . . 1 . . . B . 66 THR N . 52105 2 121 . 2 . 2 67 67 LEU H H 1 9.283 . . 1 . . . B . 67 LEU H . 52105 2 122 . 2 . 2 67 67 LEU N N 15 127.7 . . 1 . . . B . 67 LEU N . 52105 2 123 . 2 . 2 68 68 HIS H H 1 9.155 . . 1 . . . B . 68 HIS H . 52105 2 124 . 2 . 2 68 68 HIS N N 15 120.013 . . 1 . . . B . 68 HIS N . 52105 2 125 . 2 . 2 69 69 LEU H H 1 8.118 . . 1 . . . B . 69 LEU H . 52105 2 126 . 2 . 2 69 69 LEU N N 15 124.051 . . 1 . . . B . 69 LEU N . 52105 2 127 . 2 . 2 70 70 VAL H H 1 9.065 . . 1 . . . B . 70 VAL H . 52105 2 128 . 2 . 2 70 70 VAL N N 15 126.368 . . 1 . . . B . 70 VAL N . 52105 2 129 . 2 . 2 71 71 LEU H H 1 8.034 . . 1 . . . B . 71 LEU H . 52105 2 130 . 2 . 2 71 71 LEU N N 15 123.034 . . 1 . . . B . 71 LEU N . 52105 2 131 . 2 . 2 72 72 ARG H H 1 8.46 . . 1 . . . B . 72 ARG H . 52105 2 132 . 2 . 2 72 72 ARG N N 15 124.24 . . 1 . . . B . 72 ARG N . 52105 2 133 . 2 . 2 73 73 LEU H H 1 8.118 . . 1 . . . B . 73 LEU H . 52105 2 134 . 2 . 2 73 73 LEU N N 15 124.051 . . 1 . . . B . 73 LEU N . 52105 2 135 . 2 . 2 74 74 ARG H H 1 8.411 . . 1 . . . B . 74 ARG H . 52105 2 136 . 2 . 2 74 74 ARG N N 15 122.711 . . 1 . . . B . 74 ARG N . 52105 2 137 . 2 . 2 75 75 GLY H H 1 8.444 . . 1 . . . B . 75 GLY H . 52105 2 138 . 2 . 2 75 75 GLY N N 15 111.249 . . 1 . . . B . 75 GLY N . 52105 2 139 . 2 . 2 76 76 GLY H H 1 8.139 . . 1 . . . B . 76 GLY H . 52105 2 140 . 2 . 2 76 76 GLY N N 15 108.697 . . 1 . . . B . 76 GLY N . 52105 2 stop_ save_