################################### # 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 53018 _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 ; Please note that the NZ atom of LYS 63 in chain A is covalently linked through an isopeptide bond to chain B. As a result of this linkage, the side-chain NH3 group of LYS 63 lost two hydrogens and got transformed into an amide group (NH). This is why the observed NZ chemical shift is consistent with a typical chemical shift of an amide nitrogen. This also means that the NZ atom has only one hydrogen attached to it. This is why we designated the attached hydrogen as HZ. ; _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' . . . 53018 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 . . 53018 1 2 $software_2 . . 53018 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 8.84 . . 1 . . . A . 2 GLN H . 53018 1 2 . 1 . 1 2 2 GLN N N 15 122.91 . . 1 . . . A . 2 GLN N . 53018 1 3 . 1 . 1 3 3 ILE H H 1 8.207 . . 1 . . . A . 3 ILE H . 53018 1 4 . 1 . 1 3 3 ILE N N 15 115.059 . . 1 . . . A . 3 ILE N . 53018 1 5 . 1 . 1 4 4 PHE H H 1 8.528 . . 1 . . . A . 4 PHE H . 53018 1 6 . 1 . 1 4 4 PHE N N 15 118.647 . . 1 . . . A . 4 PHE N . 53018 1 7 . 1 . 1 5 5 VAL H H 1 9.205 . . 1 . . . A . 5 VAL H . 53018 1 8 . 1 . 1 5 5 VAL N N 15 121.279 . . 1 . . . A . 5 VAL N . 53018 1 9 . 1 . 1 6 6 LYS H H 1 8.886 . . 1 . . . A . 6 LYS H . 53018 1 10 . 1 . 1 6 6 LYS N N 15 128.072 . . 1 . . . A . 6 LYS N . 53018 1 11 . 1 . 1 7 7 THR H H 1 8.665 . . 1 . . . A . 7 THR H . 53018 1 12 . 1 . 1 7 7 THR N N 15 115.56 . . 1 . . . A . 7 THR N . 53018 1 13 . 1 . 1 8 8 LEU H H 1 9.049 . . 1 . . . A . 8 LEU H . 53018 1 14 . 1 . 1 8 8 LEU N N 15 121.302 . . 1 . . . A . 8 LEU N . 53018 1 15 . 1 . 1 9 9 THR H H 1 7.556 . . 1 . . . A . 9 THR H . 53018 1 16 . 1 . 1 9 9 THR N N 15 105.949 . . 1 . . . A . 9 THR N . 53018 1 17 . 1 . 1 10 10 GLY H H 1 7.748 . . 1 . . . A . 10 GLY H . 53018 1 18 . 1 . 1 10 10 GLY N N 15 109.309 . . 1 . . . A . 10 GLY N . 53018 1 19 . 1 . 1 11 11 LYS H H 1 7.183 . . 1 . . . A . 11 LYS H . 53018 1 20 . 1 . 1 11 11 LYS N N 15 121.945 . . 1 . . . A . 11 LYS N . 53018 1 21 . 1 . 1 12 12 THR H H 1 8.569 . . 1 . . . A . 12 THR H . 53018 1 22 . 1 . 1 12 12 THR N N 15 120.69 . . 1 . . . A . 12 THR N . 53018 1 23 . 1 . 1 13 13 ILE H H 1 9.472 . . 1 . . . A . 13 ILE H . 53018 1 24 . 1 . 1 13 13 ILE N N 15 127.69 . . 1 . . . A . 13 ILE N . 53018 1 25 . 1 . 1 14 14 THR H H 1 8.662 . . 1 . . . A . 14 THR H . 53018 1 26 . 1 . 1 14 14 THR N N 15 121.588 . . 1 . . . A . 14 THR N . 53018 1 27 . 1 . 1 15 15 LEU H H 1 8.661 . . 1 . . . A . 15 LEU H . 53018 1 28 . 1 . 1 15 15 LEU N N 15 125.206 . . 1 . . . A . 15 LEU N . 53018 1 29 . 1 . 1 16 16 GLU H H 1 8.036 . . 1 . . . A . 16 GLU H . 53018 1 30 . 1 . 1 16 16 GLU N N 15 122.515 . . 1 . . . A . 16 GLU N . 53018 1 31 . 1 . 1 17 17 VAL H H 1 8.846 . . 1 . . . A . 17 VAL H . 53018 1 32 . 1 . 1 17 17 VAL N N 15 117.578 . . 1 . . . A . 17 VAL N . 53018 1 33 . 1 . 1 18 18 GLU H H 1 8.566 . . 1 . . . A . 18 GLU H . 53018 1 34 . 1 . 1 18 18 GLU N N 15 119.317 . . 1 . . . A . 18 GLU N . 53018 1 35 . 1 . 1 20 20 SER H H 1 6.938 . . 1 . . . A . 20 SER H . 53018 1 36 . 1 . 1 20 20 SER N N 15 103.441 . . 1 . . . A . 20 SER N . 53018 1 37 . 1 . 1 21 21 ASP H H 1 7.964 . . 1 . . . A . 21 ASP H . 53018 1 38 . 1 . 1 21 21 ASP N N 15 123.994 . . 1 . . . A . 21 ASP N . 53018 1 39 . 1 . 1 22 22 THR H H 1 7.806 . . 1 . . . A . 22 THR H . 53018 1 40 . 1 . 1 22 22 THR N N 15 109.096 . . 1 . . . A . 22 THR N . 53018 1 41 . 1 . 1 23 23 ILE H H 1 8.43 . . 1 . . . A . 23 ILE H . 53018 1 42 . 1 . 1 23 23 ILE N N 15 121.261 . . 1 . . . A . 23 ILE N . 53018 1 43 . 1 . 1 25 25 ASN H H 1 7.847 . . 1 . . . A . 25 ASN H . 53018 1 44 . 1 . 1 25 25 ASN N N 15 121.544 . . 1 . . . A . 25 ASN N . 53018 1 45 . 1 . 1 26 26 VAL H H 1 8.028 . . 1 . . . A . 26 VAL H . 53018 1 46 . 1 . 1 26 26 VAL N N 15 122.312 . . 1 . . . A . 26 VAL N . 53018 1 47 . 1 . 1 27 27 LYS H H 1 8.478 . . 1 . . . A . 27 LYS H . 53018 1 48 . 1 . 1 27 27 LYS N N 15 119.009 . . 1 . . . A . 27 LYS N . 53018 1 49 . 1 . 1 28 28 ALA H H 1 7.884 . . 1 . . . A . 28 ALA H . 53018 1 50 . 1 . 1 28 28 ALA N N 15 123.527 . . 1 . . . A . 28 ALA N . 53018 1 51 . 1 . 1 29 29 LYS H H 1 7.773 . . 1 . . . A . 29 LYS H . 53018 1 52 . 1 . 1 29 29 LYS N N 15 120.297 . . 1 . . . A . 29 LYS N . 53018 1 53 . 1 . 1 30 30 ILE H H 1 8.205 . . 1 . . . A . 30 ILE H . 53018 1 54 . 1 . 1 30 30 ILE N N 15 121.441 . . 1 . . . A . 30 ILE N . 53018 1 55 . 1 . 1 31 31 GLN H H 1 8.472 . . 1 . . . A . 31 GLN H . 53018 1 56 . 1 . 1 31 31 GLN N N 15 123.639 . . 1 . . . A . 31 GLN N . 53018 1 57 . 1 . 1 32 32 ASP H H 1 7.938 . . 1 . . . A . 32 ASP H . 53018 1 58 . 1 . 1 32 32 ASP N N 15 119.803 . . 1 . . . A . 32 ASP N . 53018 1 59 . 1 . 1 33 33 LYS H H 1 7.338 . . 1 . . . A . 33 LYS H . 53018 1 60 . 1 . 1 33 33 LYS N N 15 115.518 . . 1 . . . A . 33 LYS N . 53018 1 61 . 1 . 1 34 34 GLU H H 1 8.645 . . 1 . . . A . 34 GLU H . 53018 1 62 . 1 . 1 34 34 GLU N N 15 114.397 . . 1 . . . A . 34 GLU N . 53018 1 63 . 1 . 1 35 35 GLY H H 1 8.419 . . 1 . . . A . 35 GLY H . 53018 1 64 . 1 . 1 35 35 GLY N N 15 108.96 . . 1 . . . A . 35 GLY N . 53018 1 65 . 1 . 1 36 36 ILE H H 1 6.066 . . 1 . . . A . 36 ILE H . 53018 1 66 . 1 . 1 36 36 ILE N N 15 120.397 . . 1 . . . A . 36 ILE N . 53018 1 67 . 1 . 1 39 39 ASP H H 1 8.449 . . 1 . . . A . 39 ASP H . 53018 1 68 . 1 . 1 39 39 ASP N N 15 113.691 . . 1 . . . A . 39 ASP N . 53018 1 69 . 1 . 1 40 40 GLN H H 1 7.738 . . 1 . . . A . 40 GLN H . 53018 1 70 . 1 . 1 40 40 GLN N N 15 116.93 . . 1 . . . A . 40 GLN N . 53018 1 71 . 1 . 1 41 41 GLN H H 1 7.404 . . 1 . . . A . 41 GLN H . 53018 1 72 . 1 . 1 41 41 GLN N N 15 118.172 . . 1 . . . A . 41 GLN N . 53018 1 73 . 1 . 1 42 42 ARG H H 1 8.417 . . 1 . . . A . 42 ARG H . 53018 1 74 . 1 . 1 42 42 ARG N N 15 123.212 . . 1 . . . A . 42 ARG N . 53018 1 75 . 1 . 1 43 43 LEU H H 1 8.744 . . 1 . . . A . 43 LEU H . 53018 1 76 . 1 . 1 43 43 LEU N N 15 124.559 . . 1 . . . A . 43 LEU N . 53018 1 77 . 1 . 1 44 44 ILE H H 1 9.045 . . 1 . . . A . 44 ILE H . 53018 1 78 . 1 . 1 44 44 ILE N N 15 122.391 . . 1 . . . A . 44 ILE N . 53018 1 79 . 1 . 1 45 45 PHE H H 1 8.761 . . 1 . . . A . 45 PHE H . 53018 1 80 . 1 . 1 45 45 PHE N N 15 124.963 . . 1 . . . A . 45 PHE N . 53018 1 81 . 1 . 1 46 46 ALA H H 1 8.94 . . 1 . . . A . 46 ALA H . 53018 1 82 . 1 . 1 46 46 ALA N N 15 133.093 . . 1 . . . A . 46 ALA N . 53018 1 83 . 1 . 1 47 47 GLY H H 1 8.015 . . 1 . . . A . 47 GLY H . 53018 1 84 . 1 . 1 47 47 GLY N N 15 102.447 . . 1 . . . A . 47 GLY N . 53018 1 85 . 1 . 1 48 48 LYS H H 1 7.891 . . 1 . . . A . 48 LYS H . 53018 1 86 . 1 . 1 48 48 LYS N N 15 122.162 . . 1 . . . A . 48 LYS N . 53018 1 87 . 1 . 1 49 49 GLN H H 1 8.572 . . 1 . . . A . 49 GLN H . 53018 1 88 . 1 . 1 49 49 GLN N N 15 123.268 . . 1 . . . A . 49 GLN N . 53018 1 89 . 1 . 1 50 50 LEU H H 1 8.483 . . 1 . . . A . 50 LEU H . 53018 1 90 . 1 . 1 50 50 LEU N N 15 125.79 . . 1 . . . A . 50 LEU N . 53018 1 91 . 1 . 1 51 51 GLU H H 1 8.308 . . 1 . . . A . 51 GLU H . 53018 1 92 . 1 . 1 51 51 GLU N N 15 123.161 . . 1 . . . A . 51 GLU N . 53018 1 93 . 1 . 1 52 52 ASP H H 1 8.085 . . 1 . . . A . 52 ASP H . 53018 1 94 . 1 . 1 52 52 ASP N N 15 120.428 . . 1 . . . A . 52 ASP N . 53018 1 95 . 1 . 1 54 54 ARG H H 1 7.377 . . 1 . . . A . 54 ARG H . 53018 1 96 . 1 . 1 54 54 ARG N N 15 119.415 . . 1 . . . A . 54 ARG N . 53018 1 97 . 1 . 1 55 55 THR H H 1 8.753 . . 1 . . . A . 55 THR H . 53018 1 98 . 1 . 1 55 55 THR N N 15 108.922 . . 1 . . . A . 55 THR N . 53018 1 99 . 1 . 1 56 56 LEU H H 1 8.065 . . 1 . . . A . 56 LEU H . 53018 1 100 . 1 . 1 56 56 LEU N N 15 118.068 . . 1 . . . A . 56 LEU N . 53018 1 101 . 1 . 1 57 57 SER H H 1 8.394 . . 1 . . . A . 57 SER H . 53018 1 102 . 1 . 1 57 57 SER N N 15 113.554 . . 1 . . . A . 57 SER N . 53018 1 103 . 1 . 1 58 58 ASP H H 1 7.851 . . 1 . . . A . 58 ASP H . 53018 1 104 . 1 . 1 58 58 ASP N N 15 124.574 . . 1 . . . A . 58 ASP N . 53018 1 105 . 1 . 1 59 59 TYR H H 1 7.176 . . 1 . . . A . 59 TYR H . 53018 1 106 . 1 . 1 59 59 TYR N N 15 115.826 . . 1 . . . A . 59 TYR N . 53018 1 107 . 1 . 1 60 60 ASN H H 1 8.07 . . 1 . . . A . 60 ASN H . 53018 1 108 . 1 . 1 60 60 ASN N N 15 115.961 . . 1 . . . A . 60 ASN N . 53018 1 109 . 1 . 1 61 61 ILE H H 1 7.151 . . 1 . . . A . 61 ILE H . 53018 1 110 . 1 . 1 61 61 ILE N N 15 118.953 . . 1 . . . A . 61 ILE N . 53018 1 111 . 1 . 1 62 62 GLN H H 1 7.533 . . 1 . . . A . 62 GLN H . 53018 1 112 . 1 . 1 62 62 GLN N N 15 125.071 . . 1 . . . A . 62 GLN N . 53018 1 113 . 1 . 1 63 63 LYS H H 1 8.349 . . 1 . . . A . 63 LYS H . 53018 1 114 . 1 . 1 63 63 LYS HZ1 H 1 7.826 . . 1 . . . A . 63 LYS HZ . 53018 1 115 . 1 . 1 63 63 LYS HZ2 H 1 7.826 . . 1 . . . A . 63 LYS HZ . 53018 1 116 . 1 . 1 63 63 LYS HZ3 H 1 7.826 . . 1 . . . A . 63 LYS HZ . 53018 1 117 . 1 . 1 63 63 LYS N N 15 120.997 . . 1 . . . A . 63 LYS N . 53018 1 118 . 1 . 1 63 63 LYS NZ N 15 120.748 . . 1 . . . A . 63 LYS NZ . 53018 1 119 . 1 . 1 64 64 GLU H H 1 9.18 . . 1 . . . A . 64 GLU H . 53018 1 120 . 1 . 1 64 64 GLU N N 15 114.406 . . 1 . . . A . 64 GLU N . 53018 1 121 . 1 . 1 65 65 SER H H 1 7.597 . . 1 . . . A . 65 SER H . 53018 1 122 . 1 . 1 65 65 SER N N 15 114.974 . . 1 . . . A . 65 SER N . 53018 1 123 . 1 . 1 66 66 THR H H 1 8.627 . . 1 . . . A . 66 THR H . 53018 1 124 . 1 . 1 66 66 THR N N 15 117.49 . . 1 . . . A . 66 THR N . 53018 1 125 . 1 . 1 67 67 LEU H H 1 9.33 . . 1 . . . A . 67 LEU H . 53018 1 126 . 1 . 1 67 67 LEU N N 15 127.853 . . 1 . . . A . 67 LEU N . 53018 1 127 . 1 . 1 68 68 HIS H H 1 9.14 . . 1 . . . A . 68 HIS H . 53018 1 128 . 1 . 1 68 68 HIS N N 15 119.652 . . 1 . . . A . 68 HIS N . 53018 1 129 . 1 . 1 69 69 LEU H H 1 8.185 . . 1 . . . A . 69 LEU H . 53018 1 130 . 1 . 1 69 69 LEU N N 15 123.795 . . 1 . . . A . 69 LEU N . 53018 1 131 . 1 . 1 70 70 VAL H H 1 9.092 . . 1 . . . A . 70 VAL H . 53018 1 132 . 1 . 1 70 70 VAL N N 15 126.574 . . 1 . . . A . 70 VAL N . 53018 1 133 . 1 . 1 71 71 LEU H H 1 8.027 . . 1 . . . A . 71 LEU H . 53018 1 134 . 1 . 1 71 71 LEU N N 15 123.061 . . 1 . . . A . 71 LEU N . 53018 1 135 . 1 . 1 72 72 ARG H H 1 8.515 . . 1 . . . A . 72 ARG H . 53018 1 136 . 1 . 1 72 72 ARG N N 15 123.86 . . 1 . . . A . 72 ARG N . 53018 1 137 . 1 . 1 73 73 LEU H H 1 8.288 . . 1 . . . A . 73 LEU H . 53018 1 138 . 1 . 1 73 73 LEU N N 15 124.682 . . 1 . . . A . 73 LEU N . 53018 1 139 . 1 . 1 74 74 ARG H H 1 8.377 . . 1 . . . A . 74 ARG H . 53018 1 140 . 1 . 1 74 74 ARG N N 15 122.148 . . 1 . . . A . 74 ARG N . 53018 1 141 . 1 . 1 75 75 GLY H H 1 8.422 . . 1 . . . A . 75 GLY H . 53018 1 142 . 1 . 1 75 75 GLY N N 15 111.188 . . 1 . . . A . 75 GLY N . 53018 1 143 . 1 . 1 76 76 GLY H H 1 7.871 . . 1 . . . A . 76 GLY H . 53018 1 144 . 1 . 1 76 76 GLY N N 15 115.152 . . 1 . . . A . 76 GLY N . 53018 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 53018 _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' . . . 53018 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 . . 53018 2 2 $software_2 . . 53018 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 8.803 . . 1 . . . B . 2 GLN H . 53018 2 2 . 2 . 2 2 2 GLN N N 15 122.787 . . 1 . . . B . 2 GLN N . 53018 2 3 . 2 . 2 3 3 ILE H H 1 8.212 . . 1 . . . B . 3 ILE H . 53018 2 4 . 2 . 2 3 3 ILE N N 15 115.019 . . 1 . . . B . 3 ILE N . 53018 2 5 . 2 . 2 4 4 PHE H H 1 8.522 . . 1 . . . B . 4 PHE H . 53018 2 6 . 2 . 2 4 4 PHE N N 15 118.575 . . 1 . . . B . 4 PHE N . 53018 2 7 . 2 . 2 5 5 VAL H H 1 9.215 . . 1 . . . B . 5 VAL H . 53018 2 8 . 2 . 2 5 5 VAL N N 15 121.322 . . 1 . . . B . 5 VAL N . 53018 2 9 . 2 . 2 6 6 LYS H H 1 8.897 . . 1 . . . B . 6 LYS H . 53018 2 10 . 2 . 2 6 6 LYS N N 15 128.056 . . 1 . . . B . 6 LYS N . 53018 2 11 . 2 . 2 7 7 THR H H 1 8.659 . . 1 . . . B . 7 THR H . 53018 2 12 . 2 . 2 7 7 THR N N 15 115.469 . . 1 . . . B . 7 THR N . 53018 2 13 . 2 . 2 8 8 LEU H H 1 9.065 . . 1 . . . B . 8 LEU H . 53018 2 14 . 2 . 2 8 8 LEU N N 15 121.377 . . 1 . . . B . 8 LEU N . 53018 2 15 . 2 . 2 9 9 THR H H 1 7.555 . . 1 . . . B . 9 THR H . 53018 2 16 . 2 . 2 9 9 THR N N 15 105.923 . . 1 . . . B . 9 THR N . 53018 2 17 . 2 . 2 10 10 GLY H H 1 7.751 . . 1 . . . B . 10 GLY H . 53018 2 18 . 2 . 2 10 10 GLY N N 15 109.307 . . 1 . . . B . 10 GLY N . 53018 2 19 . 2 . 2 11 11 LYS H H 1 7.191 . . 1 . . . B . 11 LYS H . 53018 2 20 . 2 . 2 11 11 LYS N N 15 122.009 . . 1 . . . B . 11 LYS N . 53018 2 21 . 2 . 2 12 12 THR H H 1 8.571 . . 1 . . . B . 12 THR H . 53018 2 22 . 2 . 2 12 12 THR N N 15 120.716 . . 1 . . . B . 12 THR N . 53018 2 23 . 2 . 2 13 13 ILE H H 1 9.489 . . 1 . . . B . 13 ILE H . 53018 2 24 . 2 . 2 13 13 ILE N N 15 127.906 . . 1 . . . B . 13 ILE N . 53018 2 25 . 2 . 2 14 14 THR H H 1 8.669 . . 1 . . . B . 14 THR H . 53018 2 26 . 2 . 2 14 14 THR N N 15 121.758 . . 1 . . . B . 14 THR N . 53018 2 27 . 2 . 2 15 15 LEU H H 1 8.648 . . 1 . . . B . 15 LEU H . 53018 2 28 . 2 . 2 15 15 LEU N N 15 125.219 . . 1 . . . B . 15 LEU N . 53018 2 29 . 2 . 2 16 16 GLU H H 1 8.038 . . 1 . . . B . 16 GLU H . 53018 2 30 . 2 . 2 16 16 GLU N N 15 122.513 . . 1 . . . B . 16 GLU N . 53018 2 31 . 2 . 2 17 17 VAL H H 1 8.855 . . 1 . . . B . 17 VAL H . 53018 2 32 . 2 . 2 17 17 VAL N N 15 117.597 . . 1 . . . B . 17 VAL N . 53018 2 33 . 2 . 2 18 18 GLU H H 1 8.562 . . 1 . . . B . 18 GLU H . 53018 2 34 . 2 . 2 18 18 GLU N N 15 119.314 . . 1 . . . B . 18 GLU N . 53018 2 35 . 2 . 2 20 20 SER H H 1 6.945 . . 1 . . . B . 20 SER H . 53018 2 36 . 2 . 2 20 20 SER N N 15 103.451 . . 1 . . . B . 20 SER N . 53018 2 37 . 2 . 2 21 21 ASP H H 1 7.972 . . 1 . . . B . 21 ASP H . 53018 2 38 . 2 . 2 21 21 ASP N N 15 124.012 . . 1 . . . B . 21 ASP N . 53018 2 39 . 2 . 2 22 22 THR H H 1 7.811 . . 1 . . . B . 22 THR H . 53018 2 40 . 2 . 2 22 22 THR N N 15 109.086 . . 1 . . . B . 22 THR N . 53018 2 41 . 2 . 2 23 23 ILE H H 1 8.427 . . 1 . . . B . 23 ILE H . 53018 2 42 . 2 . 2 23 23 ILE N N 15 121.268 . . 1 . . . B . 23 ILE N . 53018 2 43 . 2 . 2 25 25 ASN H H 1 7.852 . . 1 . . . B . 25 ASN H . 53018 2 44 . 2 . 2 25 25 ASN N N 15 121.528 . . 1 . . . B . 25 ASN N . 53018 2 45 . 2 . 2 26 26 VAL H H 1 8.029 . . 1 . . . B . 26 VAL H . 53018 2 46 . 2 . 2 26 26 VAL N N 15 122.294 . . 1 . . . B . 26 VAL N . 53018 2 47 . 2 . 2 27 27 LYS H H 1 8.476 . . 1 . . . B . 27 LYS H . 53018 2 48 . 2 . 2 27 27 LYS N N 15 119.027 . . 1 . . . B . 27 LYS N . 53018 2 49 . 2 . 2 28 28 ALA H H 1 7.885 . . 1 . . . B . 28 ALA H . 53018 2 50 . 2 . 2 28 28 ALA N N 15 123.539 . . 1 . . . B . 28 ALA N . 53018 2 51 . 2 . 2 29 29 LYS H H 1 7.782 . . 1 . . . B . 29 LYS H . 53018 2 52 . 2 . 2 29 29 LYS N N 15 120.34 . . 1 . . . B . 29 LYS N . 53018 2 53 . 2 . 2 30 30 ILE H H 1 8.216 . . 1 . . . B . 30 ILE H . 53018 2 54 . 2 . 2 30 30 ILE N N 15 121.451 . . 1 . . . B . 30 ILE N . 53018 2 55 . 2 . 2 31 31 GLN H H 1 8.544 . . 1 . . . B . 31 GLN H . 53018 2 56 . 2 . 2 31 31 GLN N N 15 123.904 . . 1 . . . B . 31 GLN N . 53018 2 57 . 2 . 2 32 32 ASP H H 1 7.944 . . 1 . . . B . 32 ASP H . 53018 2 58 . 2 . 2 32 32 ASP N N 15 119.822 . . 1 . . . B . 32 ASP N . 53018 2 59 . 2 . 2 33 33 LYS H H 1 7.342 . . 1 . . . B . 33 LYS H . 53018 2 60 . 2 . 2 33 33 LYS N N 15 115.543 . . 1 . . . B . 33 LYS N . 53018 2 61 . 2 . 2 34 34 GLU H H 1 8.644 . . 1 . . . B . 34 GLU H . 53018 2 62 . 2 . 2 34 34 GLU N N 15 114.347 . . 1 . . . B . 34 GLU N . 53018 2 63 . 2 . 2 35 35 GLY H H 1 8.412 . . 1 . . . B . 35 GLY H . 53018 2 64 . 2 . 2 35 35 GLY N N 15 108.931 . . 1 . . . B . 35 GLY N . 53018 2 65 . 2 . 2 36 36 ILE H H 1 6.065 . . 1 . . . B . 36 ILE H . 53018 2 66 . 2 . 2 36 36 ILE N N 15 120.427 . . 1 . . . B . 36 ILE N . 53018 2 67 . 2 . 2 39 39 ASP H H 1 8.464 . . 1 . . . B . 39 ASP H . 53018 2 68 . 2 . 2 39 39 ASP N N 15 113.729 . . 1 . . . B . 39 ASP N . 53018 2 69 . 2 . 2 40 40 GLN H H 1 7.745 . . 1 . . . B . 40 GLN H . 53018 2 70 . 2 . 2 40 40 GLN N N 15 116.977 . . 1 . . . B . 40 GLN N . 53018 2 71 . 2 . 2 41 41 GLN H H 1 7.41 . . 1 . . . B . 41 GLN H . 53018 2 72 . 2 . 2 41 41 GLN N N 15 118.147 . . 1 . . . B . 41 GLN N . 53018 2 73 . 2 . 2 42 42 ARG H H 1 8.412 . . 1 . . . B . 42 ARG H . 53018 2 74 . 2 . 2 42 42 ARG N N 15 123.162 . . 1 . . . B . 42 ARG N . 53018 2 75 . 2 . 2 43 43 LEU H H 1 8.745 . . 1 . . . B . 43 LEU H . 53018 2 76 . 2 . 2 43 43 LEU N N 15 124.517 . . 1 . . . B . 43 LEU N . 53018 2 77 . 2 . 2 44 44 ILE H H 1 9.051 . . 1 . . . B . 44 ILE H . 53018 2 78 . 2 . 2 44 44 ILE N N 15 122.448 . . 1 . . . B . 44 ILE N . 53018 2 79 . 2 . 2 45 45 PHE H H 1 8.769 . . 1 . . . B . 45 PHE H . 53018 2 80 . 2 . 2 45 45 PHE N N 15 124.987 . . 1 . . . B . 45 PHE N . 53018 2 81 . 2 . 2 46 46 ALA H H 1 8.95 . . 1 . . . B . 46 ALA H . 53018 2 82 . 2 . 2 46 46 ALA N N 15 133.145 . . 1 . . . B . 46 ALA N . 53018 2 83 . 2 . 2 47 47 GLY H H 1 8.02 . . 1 . . . B . 47 GLY H . 53018 2 84 . 2 . 2 47 47 GLY N N 15 102.506 . . 1 . . . B . 47 GLY N . 53018 2 85 . 2 . 2 48 48 LYS H H 1 7.888 . . 1 . . . B . 48 LYS H . 53018 2 86 . 2 . 2 48 48 LYS N N 15 122.129 . . 1 . . . B . 48 LYS N . 53018 2 87 . 2 . 2 49 49 GLN H H 1 8.582 . . 1 . . . B . 49 GLN H . 53018 2 88 . 2 . 2 49 49 GLN N N 15 123.331 . . 1 . . . B . 49 GLN N . 53018 2 89 . 2 . 2 50 50 LEU H H 1 8.485 . . 1 . . . B . 50 LEU H . 53018 2 90 . 2 . 2 50 50 LEU N N 15 125.813 . . 1 . . . B . 50 LEU N . 53018 2 91 . 2 . 2 51 51 GLU H H 1 8.31 . . 1 . . . B . 51 GLU H . 53018 2 92 . 2 . 2 51 51 GLU N N 15 123.157 . . 1 . . . B . 51 GLU N . 53018 2 93 . 2 . 2 52 52 ASP H H 1 8.091 . . 1 . . . B . 52 ASP H . 53018 2 94 . 2 . 2 52 52 ASP N N 15 120.464 . . 1 . . . B . 52 ASP N . 53018 2 95 . 2 . 2 54 54 ARG H H 1 7.375 . . 1 . . . B . 54 ARG H . 53018 2 96 . 2 . 2 54 54 ARG N N 15 119.429 . . 1 . . . B . 54 ARG N . 53018 2 97 . 2 . 2 55 55 THR H H 1 8.752 . . 1 . . . B . 55 THR H . 53018 2 98 . 2 . 2 55 55 THR N N 15 108.904 . . 1 . . . B . 55 THR N . 53018 2 99 . 2 . 2 56 56 LEU H H 1 8.074 . . 1 . . . B . 56 LEU H . 53018 2 100 . 2 . 2 56 56 LEU N N 15 118.055 . . 1 . . . B . 56 LEU N . 53018 2 101 . 2 . 2 57 57 SER H H 1 8.407 . . 1 . . . B . 57 SER H . 53018 2 102 . 2 . 2 57 57 SER N N 15 113.586 . . 1 . . . B . 57 SER N . 53018 2 103 . 2 . 2 58 58 ASP H H 1 7.851 . . 1 . . . B . 58 ASP H . 53018 2 104 . 2 . 2 58 58 ASP N N 15 124.568 . . 1 . . . B . 58 ASP N . 53018 2 105 . 2 . 2 59 59 TYR H H 1 7.177 . . 1 . . . B . 59 TYR H . 53018 2 106 . 2 . 2 59 59 TYR N N 15 115.837 . . 1 . . . B . 59 TYR N . 53018 2 107 . 2 . 2 60 60 ASN H H 1 8.069 . . 1 . . . B . 60 ASN H . 53018 2 108 . 2 . 2 60 60 ASN N N 15 115.993 . . 1 . . . B . 60 ASN N . 53018 2 109 . 2 . 2 61 61 ILE H H 1 7.162 . . 1 . . . B . 61 ILE H . 53018 2 110 . 2 . 2 61 61 ILE N N 15 119.028 . . 1 . . . B . 61 ILE N . 53018 2 111 . 2 . 2 62 62 GLN H H 1 7.562 . . 1 . . . B . 62 GLN H . 53018 2 112 . 2 . 2 62 62 GLN N N 15 124.986 . . 1 . . . B . 62 GLN N . 53018 2 113 . 2 . 2 63 63 ARG H H 1 8.415 . . 1 . . . B . 63 ARG H . 53018 2 114 . 2 . 2 63 63 ARG N N 15 120.573 . . 1 . . . B . 63 ARG N . 53018 2 115 . 2 . 2 64 64 GLU H H 1 9.236 . . 1 . . . B . 64 GLU H . 53018 2 116 . 2 . 2 64 64 GLU N N 15 115.201 . . 1 . . . B . 64 GLU N . 53018 2 117 . 2 . 2 65 65 SER H H 1 7.644 . . 1 . . . B . 65 SER H . 53018 2 118 . 2 . 2 65 65 SER N N 15 115.078 . . 1 . . . B . 65 SER N . 53018 2 119 . 2 . 2 66 66 THR H H 1 8.623 . . 1 . . . B . 66 THR H . 53018 2 120 . 2 . 2 66 66 THR N N 15 117.445 . . 1 . . . B . 66 THR N . 53018 2 121 . 2 . 2 67 67 LEU H H 1 9.335 . . 1 . . . B . 67 LEU H . 53018 2 122 . 2 . 2 67 67 LEU N N 15 127.899 . . 1 . . . B . 67 LEU N . 53018 2 123 . 2 . 2 68 68 HIS H H 1 9.14 . . 1 . . . B . 68 HIS H . 53018 2 124 . 2 . 2 68 68 HIS N N 15 119.661 . . 1 . . . B . 68 HIS N . 53018 2 125 . 2 . 2 69 69 LEU H H 1 8.193 . . 1 . . . B . 69 LEU H . 53018 2 126 . 2 . 2 69 69 LEU N N 15 123.759 . . 1 . . . B . 69 LEU N . 53018 2 127 . 2 . 2 70 70 VAL H H 1 9.108 . . 1 . . . B . 70 VAL H . 53018 2 128 . 2 . 2 70 70 VAL N N 15 126.859 . . 1 . . . B . 70 VAL N . 53018 2 129 . 2 . 2 71 71 LEU H H 1 8.039 . . 1 . . . B . 71 LEU H . 53018 2 130 . 2 . 2 71 71 LEU N N 15 123.108 . . 1 . . . B . 71 LEU N . 53018 2 131 . 2 . 2 72 72 ARG H H 1 8.469 . . 1 . . . B . 72 ARG H . 53018 2 132 . 2 . 2 72 72 ARG N N 15 123.65 . . 1 . . . B . 72 ARG N . 53018 2 133 . 2 . 2 73 73 LEU H H 1 8.306 . . 1 . . . B . 73 LEU H . 53018 2 134 . 2 . 2 73 73 LEU N N 15 124.609 . . 1 . . . B . 73 LEU N . 53018 2 135 . 2 . 2 74 74 ARG H H 1 8.45 . . 1 . . . B . 74 ARG H . 53018 2 136 . 2 . 2 74 74 ARG N N 15 122.505 . . 1 . . . B . 74 ARG N . 53018 2 137 . 2 . 2 75 75 GLY H H 1 8.53 . . 1 . . . B . 75 GLY H . 53018 2 138 . 2 . 2 75 75 GLY N N 15 111.109 . . 1 . . . B . 75 GLY N . 53018 2 139 . 2 . 2 76 76 GLY H H 1 8.29 . . 1 . . . B . 76 GLY H . 53018 2 140 . 2 . 2 76 76 GLY N N 15 109.324 . . 1 . . . B . 76 GLY N . 53018 2 stop_ save_