################################### # 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 52140 _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 ; 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 (HZ) attached to it. ; _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' . . . 52140 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 . . 52140 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 8.835 . . 1 . . . A . 2 GLN H . 52140 1 2 . 1 . 1 2 2 GLN N N 15 122.892 . . 1 . . . A . 2 GLN N . 52140 1 3 . 1 . 1 3 3 ILE H H 1 8.201 . . 1 . . . A . 3 ILE H . 52140 1 4 . 1 . 1 3 3 ILE N N 15 115.063 . . 1 . . . A . 3 ILE N . 52140 1 5 . 1 . 1 4 4 PHE H H 1 8.522 . . 1 . . . A . 4 PHE H . 52140 1 6 . 1 . 1 4 4 PHE N N 15 118.607 . . 1 . . . A . 4 PHE N . 52140 1 7 . 1 . 1 5 5 VAL H H 1 9.201 . . 1 . . . A . 5 VAL H . 52140 1 8 . 1 . 1 5 5 VAL N N 15 121.285 . . 1 . . . A . 5 VAL N . 52140 1 9 . 1 . 1 6 6 LYS H H 1 8.888 . . 1 . . . A . 6 LYS H . 52140 1 10 . 1 . 1 6 6 LYS N N 15 128.085 . . 1 . . . A . 6 LYS N . 52140 1 11 . 1 . 1 7 7 THR H H 1 8.657 . . 1 . . . A . 7 THR H . 52140 1 12 . 1 . 1 7 7 THR N N 15 115.551 . . 1 . . . A . 7 THR N . 52140 1 13 . 1 . 1 8 8 LEU H H 1 9.052 . . 1 . . . A . 8 LEU H . 52140 1 14 . 1 . 1 8 8 LEU N N 15 121.343 . . 1 . . . A . 8 LEU N . 52140 1 15 . 1 . 1 9 9 THR H H 1 7.548 . . 1 . . . A . 9 THR H . 52140 1 16 . 1 . 1 9 9 THR N N 15 105.909 . . 1 . . . A . 9 THR N . 52140 1 17 . 1 . 1 10 10 GLY H H 1 7.746 . . 1 . . . A . 10 GLY H . 52140 1 18 . 1 . 1 10 10 GLY N N 15 109.3 . . 1 . . . A . 10 GLY N . 52140 1 19 . 1 . 1 11 11 LYS H H 1 7.183 . . 1 . . . A . 11 LYS H . 52140 1 20 . 1 . 1 11 11 LYS N N 15 121.983 . . 1 . . . A . 11 LYS N . 52140 1 21 . 1 . 1 12 12 THR H H 1 8.565 . . 1 . . . A . 12 THR H . 52140 1 22 . 1 . 1 12 12 THR N N 15 120.693 . . 1 . . . A . 12 THR N . 52140 1 23 . 1 . 1 13 13 ILE H H 1 9.475 . . 1 . . . A . 13 ILE H . 52140 1 24 . 1 . 1 13 13 ILE N N 15 127.761 . . 1 . . . A . 13 ILE N . 52140 1 25 . 1 . 1 14 14 THR H H 1 8.662 . . 1 . . . A . 14 THR H . 52140 1 26 . 1 . 1 14 14 THR N N 15 121.662 . . 1 . . . A . 14 THR N . 52140 1 27 . 1 . 1 15 15 LEU H H 1 8.654 . . 1 . . . A . 15 LEU H . 52140 1 28 . 1 . 1 15 15 LEU N N 15 125.223 . . 1 . . . A . 15 LEU N . 52140 1 29 . 1 . 1 16 16 GLU H H 1 8.036 . . 1 . . . A . 16 GLU H . 52140 1 30 . 1 . 1 16 16 GLU N N 15 122.515 . . 1 . . . A . 16 GLU N . 52140 1 31 . 1 . 1 17 17 VAL H H 1 8.842 . . 1 . . . A . 17 VAL H . 52140 1 32 . 1 . 1 17 17 VAL N N 15 117.588 . . 1 . . . A . 17 VAL N . 52140 1 33 . 1 . 1 18 18 GLU H H 1 8.56 . . 1 . . . A . 18 GLU H . 52140 1 34 . 1 . 1 18 18 GLU N N 15 119.318 . . 1 . . . A . 18 GLU N . 52140 1 35 . 1 . 1 20 20 SER H H 1 6.933 . . 1 . . . A . 20 SER H . 52140 1 36 . 1 . 1 20 20 SER N N 15 103.433 . . 1 . . . A . 20 SER N . 52140 1 37 . 1 . 1 21 21 ASP H H 1 7.959 . . 1 . . . A . 21 ASP H . 52140 1 38 . 1 . 1 21 21 ASP N N 15 124.006 . . 1 . . . A . 21 ASP N . 52140 1 39 . 1 . 1 22 22 THR H H 1 7.804 . . 1 . . . A . 22 THR H . 52140 1 40 . 1 . 1 22 22 THR N N 15 109.099 . . 1 . . . A . 22 THR N . 52140 1 41 . 1 . 1 23 23 ILE H H 1 8.426 . . 1 . . . A . 23 ILE H . 52140 1 42 . 1 . 1 23 23 ILE N N 15 121.287 . . 1 . . . A . 23 ILE N . 52140 1 43 . 1 . 1 25 25 ASN H H 1 7.843 . . 1 . . . A . 25 ASN H . 52140 1 44 . 1 . 1 25 25 ASN N N 15 121.549 . . 1 . . . A . 25 ASN N . 52140 1 45 . 1 . 1 26 26 VAL H H 1 8.028 . . 1 . . . A . 26 VAL H . 52140 1 46 . 1 . 1 26 26 VAL N N 15 122.312 . . 1 . . . A . 26 VAL N . 52140 1 47 . 1 . 1 27 27 LYS H H 1 8.474 . . 1 . . . A . 27 LYS H . 52140 1 48 . 1 . 1 27 27 LYS N N 15 119.026 . . 1 . . . A . 27 LYS N . 52140 1 49 . 1 . 1 28 28 ALA H H 1 7.88 . . 1 . . . A . 28 ALA H . 52140 1 50 . 1 . 1 28 28 ALA N N 15 123.538 . . 1 . . . A . 28 ALA N . 52140 1 51 . 1 . 1 29 29 LYS H H 1 7.772 . . 1 . . . A . 29 LYS H . 52140 1 52 . 1 . 1 29 29 LYS N N 15 120.317 . . 1 . . . A . 29 LYS N . 52140 1 53 . 1 . 1 30 30 ILE H H 1 8.201 . . 1 . . . A . 30 ILE H . 52140 1 54 . 1 . 1 30 30 ILE N N 15 121.456 . . 1 . . . A . 30 ILE N . 52140 1 55 . 1 . 1 31 31 GLN H H 1 8.468 . . 1 . . . A . 31 GLN H . 52140 1 56 . 1 . 1 31 31 GLN N N 15 123.654 . . 1 . . . A . 31 GLN N . 52140 1 57 . 1 . 1 32 32 ASP H H 1 7.935 . . 1 . . . A . 32 ASP H . 52140 1 58 . 1 . 1 32 32 ASP N N 15 119.797 . . 1 . . . A . 32 ASP N . 52140 1 59 . 1 . 1 33 33 LYS H H 1 7.336 . . 1 . . . A . 33 LYS H . 52140 1 60 . 1 . 1 33 33 LYS N N 15 115.524 . . 1 . . . A . 33 LYS N . 52140 1 61 . 1 . 1 34 34 GLU H H 1 8.643 . . 1 . . . A . 34 GLU H . 52140 1 62 . 1 . 1 34 34 GLU N N 15 114.375 . . 1 . . . A . 34 GLU N . 52140 1 63 . 1 . 1 35 35 GLY H H 1 8.413 . . 1 . . . A . 35 GLY H . 52140 1 64 . 1 . 1 35 35 GLY N N 15 108.955 . . 1 . . . A . 35 GLY N . 52140 1 65 . 1 . 1 36 36 ILE H H 1 6.058 . . 1 . . . A . 36 ILE H . 52140 1 66 . 1 . 1 36 36 ILE N N 15 120.41 . . 1 . . . A . 36 ILE N . 52140 1 67 . 1 . 1 39 39 ASP H H 1 8.443 . . 1 . . . A . 39 ASP H . 52140 1 68 . 1 . 1 39 39 ASP N N 15 113.675 . . 1 . . . A . 39 ASP N . 52140 1 69 . 1 . 1 40 40 GLN H H 1 7.727 . . 1 . . . A . 40 GLN H . 52140 1 70 . 1 . 1 40 40 GLN N N 15 116.927 . . 1 . . . A . 40 GLN N . 52140 1 71 . 1 . 1 41 41 GLN H H 1 7.397 . . 1 . . . A . 41 GLN H . 52140 1 72 . 1 . 1 41 41 GLN N N 15 118.123 . . 1 . . . A . 41 GLN N . 52140 1 73 . 1 . 1 42 42 ARG H H 1 8.423 . . 1 . . . A . 42 ARG H . 52140 1 74 . 1 . 1 42 42 ARG N N 15 123.227 . . 1 . . . A . 42 ARG N . 52140 1 75 . 1 . 1 43 43 LEU H H 1 8.734 . . 1 . . . A . 43 LEU H . 52140 1 76 . 1 . 1 43 43 LEU N N 15 124.524 . . 1 . . . A . 43 LEU N . 52140 1 77 . 1 . 1 44 44 ILE H H 1 9.045 . . 1 . . . A . 44 ILE H . 52140 1 78 . 1 . 1 44 44 ILE N N 15 122.435 . . 1 . . . A . 44 ILE N . 52140 1 79 . 1 . 1 45 45 PHE H H 1 8.756 . . 1 . . . A . 45 PHE H . 52140 1 80 . 1 . 1 45 45 PHE N N 15 124.919 . . 1 . . . A . 45 PHE N . 52140 1 81 . 1 . 1 46 46 ALA H H 1 8.932 . . 1 . . . A . 46 ALA H . 52140 1 82 . 1 . 1 46 46 ALA N N 15 133.086 . . 1 . . . A . 46 ALA N . 52140 1 83 . 1 . 1 47 47 GLY H H 1 8.013 . . 1 . . . A . 47 GLY H . 52140 1 84 . 1 . 1 47 47 GLY N N 15 102.436 . . 1 . . . A . 47 GLY N . 52140 1 85 . 1 . 1 48 48 LYS H H 1 7.876 . . 1 . . . A . 48 LYS H . 52140 1 86 . 1 . 1 48 48 LYS N N 15 122.137 . . 1 . . . A . 48 LYS N . 52140 1 87 . 1 . 1 49 49 GLN H H 1 8.574 . . 1 . . . A . 49 GLN H . 52140 1 88 . 1 . 1 49 49 GLN N N 15 123.314 . . 1 . . . A . 49 GLN N . 52140 1 89 . 1 . 1 50 50 LEU H H 1 8.486 . . 1 . . . A . 50 LEU H . 52140 1 90 . 1 . 1 50 50 LEU N N 15 125.778 . . 1 . . . A . 50 LEU N . 52140 1 91 . 1 . 1 51 51 GLU H H 1 8.308 . . 1 . . . A . 51 GLU H . 52140 1 92 . 1 . 1 51 51 GLU N N 15 123.154 . . 1 . . . A . 51 GLU N . 52140 1 93 . 1 . 1 52 52 ASP H H 1 8.088 . . 1 . . . A . 52 ASP H . 52140 1 94 . 1 . 1 52 52 ASP N N 15 120.475 . . 1 . . . A . 52 ASP N . 52140 1 95 . 1 . 1 54 54 ARG H H 1 7.375 . . 1 . . . A . 54 ARG H . 52140 1 96 . 1 . 1 54 54 ARG N N 15 119.436 . . 1 . . . A . 54 ARG N . 52140 1 97 . 1 . 1 55 55 THR H H 1 8.746 . . 1 . . . A . 55 THR H . 52140 1 98 . 1 . 1 55 55 THR N N 15 108.885 . . 1 . . . A . 55 THR N . 52140 1 99 . 1 . 1 56 56 LEU H H 1 8.06 . . 1 . . . A . 56 LEU H . 52140 1 100 . 1 . 1 56 56 LEU N N 15 118.055 . . 1 . . . A . 56 LEU N . 52140 1 101 . 1 . 1 57 57 SER H H 1 8.389 . . 1 . . . A . 57 SER H . 52140 1 102 . 1 . 1 57 57 SER N N 15 113.54 . . 1 . . . A . 57 SER N . 52140 1 103 . 1 . 1 58 58 ASP H H 1 7.848 . . 1 . . . A . 58 ASP H . 52140 1 104 . 1 . 1 58 58 ASP N N 15 124.598 . . 1 . . . A . 58 ASP N . 52140 1 105 . 1 . 1 59 59 TYR H H 1 7.169 . . 1 . . . A . 59 TYR H . 52140 1 106 . 1 . 1 59 59 TYR N N 15 115.822 . . 1 . . . A . 59 TYR N . 52140 1 107 . 1 . 1 60 60 ASN H H 1 8.065 . . 1 . . . A . 60 ASN H . 52140 1 108 . 1 . 1 60 60 ASN N N 15 115.951 . . 1 . . . A . 60 ASN N . 52140 1 109 . 1 . 1 61 61 ILE H H 1 7.15 . . 1 . . . A . 61 ILE H . 52140 1 110 . 1 . 1 61 61 ILE N N 15 118.964 . . 1 . . . A . 61 ILE N . 52140 1 111 . 1 . 1 62 62 GLN H H 1 7.53 . . 1 . . . A . 62 GLN H . 52140 1 112 . 1 . 1 62 62 GLN N N 15 125.068 . . 1 . . . A . 62 GLN N . 52140 1 113 . 1 . 1 63 63 LYS H H 1 8.344 . . 1 . . . A . 63 LYS H . 52140 1 114 . 1 . 1 63 63 LYS HZ H 1 7.824 . . 1 . . . A . 63 LYS HZ . 52140 1 115 . 1 . 1 63 63 LYS N N 15 120.985 . . 1 . . . A . 63 LYS N . 52140 1 116 . 1 . 1 63 63 LYS NZ N 15 120.767 . . 1 . . . A . 63 LYS NZ . 52140 1 117 . 1 . 1 64 64 GLU H H 1 9.174 . . 1 . . . A . 64 GLU H . 52140 1 118 . 1 . 1 64 64 GLU N N 15 114.425 . . 1 . . . A . 64 GLU N . 52140 1 119 . 1 . 1 65 65 SER H H 1 7.593 . . 1 . . . A . 65 SER H . 52140 1 120 . 1 . 1 65 65 SER N N 15 114.987 . . 1 . . . A . 65 SER N . 52140 1 121 . 1 . 1 66 66 THR H H 1 8.621 . . 1 . . . A . 66 THR H . 52140 1 122 . 1 . 1 66 66 THR N N 15 117.486 . . 1 . . . A . 66 THR N . 52140 1 123 . 1 . 1 67 67 LEU H H 1 9.325 . . 1 . . . A . 67 LEU H . 52140 1 124 . 1 . 1 67 67 LEU N N 15 127.876 . . 1 . . . A . 67 LEU N . 52140 1 125 . 1 . 1 68 68 HIS H H 1 9.134 . . 1 . . . A . 68 HIS H . 52140 1 126 . 1 . 1 68 68 HIS N N 15 119.688 . . 1 . . . A . 68 HIS N . 52140 1 127 . 1 . 1 69 69 LEU H H 1 8.181 . . 1 . . . A . 69 LEU H . 52140 1 128 . 1 . 1 69 69 LEU N N 15 123.785 . . 1 . . . A . 69 LEU N . 52140 1 129 . 1 . 1 70 70 VAL H H 1 9.096 . . 1 . . . A . 70 VAL H . 52140 1 130 . 1 . 1 70 70 VAL N N 15 126.759 . . 1 . . . A . 70 VAL N . 52140 1 131 . 1 . 1 71 71 LEU H H 1 8.015 . . 1 . . . A . 71 LEU H . 52140 1 132 . 1 . 1 71 71 LEU N N 15 123.121 . . 1 . . . A . 71 LEU N . 52140 1 133 . 1 . 1 72 72 ARG H H 1 8.513 . . 1 . . . A . 72 ARG H . 52140 1 134 . 1 . 1 72 72 ARG N N 15 123.826 . . 1 . . . A . 72 ARG N . 52140 1 135 . 1 . 1 73 73 LEU H H 1 8.344 . . 1 . . . A . 73 LEU H . 52140 1 136 . 1 . 1 73 73 LEU N N 15 124.743 . . 1 . . . A . 73 LEU N . 52140 1 137 . 1 . 1 74 74 ARG H H 1 8.383 . . 1 . . . A . 74 ARG H . 52140 1 138 . 1 . 1 74 74 ARG N N 15 121.94 . . 1 . . . A . 74 ARG N . 52140 1 139 . 1 . 1 75 75 GLY H H 1 8.457 . . 1 . . . A . 75 GLY H . 52140 1 140 . 1 . 1 75 75 GLY N N 15 110.852 . . 1 . . . A . 75 GLY N . 52140 1 141 . 1 . 1 76 76 GLY H H 1 8.134 . . 1 . . . A . 76 GLY H . 52140 1 142 . 1 . 1 76 76 GLY N N 15 109.363 . . 1 . . . A . 76 GLY N . 52140 1 143 . 1 . 1 77 77 ASP H H 1 7.884 . . 1 . . . A . 77 ASP H . 52140 1 144 . 1 . 1 77 77 ASP N N 15 125.732 . . 1 . . . A . 77 ASP N . 52140 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 52140 _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' . . . 52140 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 . . 52140 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 . 52140 2 2 . 2 . 2 2 2 GLN N N 15 122.787 . . 1 . . . B . 2 GLN N . 52140 2 3 . 2 . 2 3 3 ILE H H 1 8.212 . . 1 . . . B . 3 ILE H . 52140 2 4 . 2 . 2 3 3 ILE N N 15 115.019 . . 1 . . . B . 3 ILE N . 52140 2 5 . 2 . 2 4 4 PHE H H 1 8.522 . . 1 . . . B . 4 PHE H . 52140 2 6 . 2 . 2 4 4 PHE N N 15 118.575 . . 1 . . . B . 4 PHE N . 52140 2 7 . 2 . 2 5 5 VAL H H 1 9.215 . . 1 . . . B . 5 VAL H . 52140 2 8 . 2 . 2 5 5 VAL N N 15 121.322 . . 1 . . . B . 5 VAL N . 52140 2 9 . 2 . 2 6 6 LYS H H 1 8.897 . . 1 . . . B . 6 LYS H . 52140 2 10 . 2 . 2 6 6 LYS N N 15 128.056 . . 1 . . . B . 6 LYS N . 52140 2 11 . 2 . 2 7 7 THR H H 1 8.659 . . 1 . . . B . 7 THR H . 52140 2 12 . 2 . 2 7 7 THR N N 15 115.469 . . 1 . . . B . 7 THR N . 52140 2 13 . 2 . 2 8 8 LEU H H 1 9.065 . . 1 . . . B . 8 LEU H . 52140 2 14 . 2 . 2 8 8 LEU N N 15 121.377 . . 1 . . . B . 8 LEU N . 52140 2 15 . 2 . 2 9 9 THR H H 1 7.555 . . 1 . . . B . 9 THR H . 52140 2 16 . 2 . 2 9 9 THR N N 15 105.923 . . 1 . . . B . 9 THR N . 52140 2 17 . 2 . 2 10 10 GLY H H 1 7.751 . . 1 . . . B . 10 GLY H . 52140 2 18 . 2 . 2 10 10 GLY N N 15 109.307 . . 1 . . . B . 10 GLY N . 52140 2 19 . 2 . 2 11 11 LYS H H 1 7.191 . . 1 . . . B . 11 LYS H . 52140 2 20 . 2 . 2 11 11 LYS N N 15 122.009 . . 1 . . . B . 11 LYS N . 52140 2 21 . 2 . 2 12 12 THR H H 1 8.571 . . 1 . . . B . 12 THR H . 52140 2 22 . 2 . 2 12 12 THR N N 15 120.716 . . 1 . . . B . 12 THR N . 52140 2 23 . 2 . 2 13 13 ILE H H 1 9.489 . . 1 . . . B . 13 ILE H . 52140 2 24 . 2 . 2 13 13 ILE N N 15 127.906 . . 1 . . . B . 13 ILE N . 52140 2 25 . 2 . 2 14 14 THR H H 1 8.669 . . 1 . . . B . 14 THR H . 52140 2 26 . 2 . 2 14 14 THR N N 15 121.758 . . 1 . . . B . 14 THR N . 52140 2 27 . 2 . 2 15 15 LEU H H 1 8.648 . . 1 . . . B . 15 LEU H . 52140 2 28 . 2 . 2 15 15 LEU N N 15 125.219 . . 1 . . . B . 15 LEU N . 52140 2 29 . 2 . 2 16 16 GLU H H 1 8.038 . . 1 . . . B . 16 GLU H . 52140 2 30 . 2 . 2 16 16 GLU N N 15 122.513 . . 1 . . . B . 16 GLU N . 52140 2 31 . 2 . 2 17 17 VAL H H 1 8.855 . . 1 . . . B . 17 VAL H . 52140 2 32 . 2 . 2 17 17 VAL N N 15 117.597 . . 1 . . . B . 17 VAL N . 52140 2 33 . 2 . 2 18 18 GLU H H 1 8.562 . . 1 . . . B . 18 GLU H . 52140 2 34 . 2 . 2 18 18 GLU N N 15 119.314 . . 1 . . . B . 18 GLU N . 52140 2 35 . 2 . 2 20 20 SER H H 1 6.945 . . 1 . . . B . 20 SER H . 52140 2 36 . 2 . 2 20 20 SER N N 15 103.451 . . 1 . . . B . 20 SER N . 52140 2 37 . 2 . 2 21 21 ASP H H 1 7.972 . . 1 . . . B . 21 ASP H . 52140 2 38 . 2 . 2 21 21 ASP N N 15 124.012 . . 1 . . . B . 21 ASP N . 52140 2 39 . 2 . 2 22 22 THR H H 1 7.811 . . 1 . . . B . 22 THR H . 52140 2 40 . 2 . 2 22 22 THR N N 15 109.086 . . 1 . . . B . 22 THR N . 52140 2 41 . 2 . 2 23 23 ILE H H 1 8.427 . . 1 . . . B . 23 ILE H . 52140 2 42 . 2 . 2 23 23 ILE N N 15 121.268 . . 1 . . . B . 23 ILE N . 52140 2 43 . 2 . 2 25 25 ASN H H 1 7.852 . . 1 . . . B . 25 ASN H . 52140 2 44 . 2 . 2 25 25 ASN N N 15 121.528 . . 1 . . . B . 25 ASN N . 52140 2 45 . 2 . 2 26 26 VAL H H 1 8.029 . . 1 . . . B . 26 VAL H . 52140 2 46 . 2 . 2 26 26 VAL N N 15 122.294 . . 1 . . . B . 26 VAL N . 52140 2 47 . 2 . 2 27 27 LYS H H 1 8.476 . . 1 . . . B . 27 LYS H . 52140 2 48 . 2 . 2 27 27 LYS N N 15 119.027 . . 1 . . . B . 27 LYS N . 52140 2 49 . 2 . 2 28 28 ALA H H 1 7.885 . . 1 . . . B . 28 ALA H . 52140 2 50 . 2 . 2 28 28 ALA N N 15 123.539 . . 1 . . . B . 28 ALA N . 52140 2 51 . 2 . 2 29 29 LYS H H 1 7.782 . . 1 . . . B . 29 LYS H . 52140 2 52 . 2 . 2 29 29 LYS N N 15 120.34 . . 1 . . . B . 29 LYS N . 52140 2 53 . 2 . 2 30 30 ILE H H 1 8.216 . . 1 . . . B . 30 ILE H . 52140 2 54 . 2 . 2 30 30 ILE N N 15 121.451 . . 1 . . . B . 30 ILE N . 52140 2 55 . 2 . 2 31 31 GLN H H 1 8.544 . . 1 . . . B . 31 GLN H . 52140 2 56 . 2 . 2 31 31 GLN N N 15 123.904 . . 1 . . . B . 31 GLN N . 52140 2 57 . 2 . 2 32 32 ASP H H 1 7.944 . . 1 . . . B . 32 ASP H . 52140 2 58 . 2 . 2 32 32 ASP N N 15 119.822 . . 1 . . . B . 32 ASP N . 52140 2 59 . 2 . 2 33 33 LYS H H 1 7.342 . . 1 . . . B . 33 LYS H . 52140 2 60 . 2 . 2 33 33 LYS N N 15 115.543 . . 1 . . . B . 33 LYS N . 52140 2 61 . 2 . 2 34 34 GLU H H 1 8.644 . . 1 . . . B . 34 GLU H . 52140 2 62 . 2 . 2 34 34 GLU N N 15 114.347 . . 1 . . . B . 34 GLU N . 52140 2 63 . 2 . 2 35 35 GLY H H 1 8.412 . . 1 . . . B . 35 GLY H . 52140 2 64 . 2 . 2 35 35 GLY N N 15 108.931 . . 1 . . . B . 35 GLY N . 52140 2 65 . 2 . 2 36 36 ILE H H 1 6.065 . . 1 . . . B . 36 ILE H . 52140 2 66 . 2 . 2 36 36 ILE N N 15 120.427 . . 1 . . . B . 36 ILE N . 52140 2 67 . 2 . 2 39 39 ASP H H 1 8.464 . . 1 . . . B . 39 ASP H . 52140 2 68 . 2 . 2 39 39 ASP N N 15 113.729 . . 1 . . . B . 39 ASP N . 52140 2 69 . 2 . 2 40 40 GLN H H 1 7.745 . . 1 . . . B . 40 GLN H . 52140 2 70 . 2 . 2 40 40 GLN N N 15 116.977 . . 1 . . . B . 40 GLN N . 52140 2 71 . 2 . 2 41 41 GLN H H 1 7.41 . . 1 . . . B . 41 GLN H . 52140 2 72 . 2 . 2 41 41 GLN N N 15 118.147 . . 1 . . . B . 41 GLN N . 52140 2 73 . 2 . 2 42 42 ARG H H 1 8.412 . . 1 . . . B . 42 ARG H . 52140 2 74 . 2 . 2 42 42 ARG N N 15 123.162 . . 1 . . . B . 42 ARG N . 52140 2 75 . 2 . 2 43 43 LEU H H 1 8.745 . . 1 . . . B . 43 LEU H . 52140 2 76 . 2 . 2 43 43 LEU N N 15 124.517 . . 1 . . . B . 43 LEU N . 52140 2 77 . 2 . 2 44 44 ILE H H 1 9.051 . . 1 . . . B . 44 ILE H . 52140 2 78 . 2 . 2 44 44 ILE N N 15 122.448 . . 1 . . . B . 44 ILE N . 52140 2 79 . 2 . 2 45 45 PHE H H 1 8.769 . . 1 . . . B . 45 PHE H . 52140 2 80 . 2 . 2 45 45 PHE N N 15 124.987 . . 1 . . . B . 45 PHE N . 52140 2 81 . 2 . 2 46 46 ALA H H 1 8.95 . . 1 . . . B . 46 ALA H . 52140 2 82 . 2 . 2 46 46 ALA N N 15 133.145 . . 1 . . . B . 46 ALA N . 52140 2 83 . 2 . 2 47 47 GLY H H 1 8.02 . . 1 . . . B . 47 GLY H . 52140 2 84 . 2 . 2 47 47 GLY N N 15 102.506 . . 1 . . . B . 47 GLY N . 52140 2 85 . 2 . 2 48 48 LYS H H 1 7.888 . . 1 . . . B . 48 LYS H . 52140 2 86 . 2 . 2 48 48 LYS N N 15 122.129 . . 1 . . . B . 48 LYS N . 52140 2 87 . 2 . 2 49 49 GLN H H 1 8.582 . . 1 . . . B . 49 GLN H . 52140 2 88 . 2 . 2 49 49 GLN N N 15 123.331 . . 1 . . . B . 49 GLN N . 52140 2 89 . 2 . 2 50 50 LEU H H 1 8.485 . . 1 . . . B . 50 LEU H . 52140 2 90 . 2 . 2 50 50 LEU N N 15 125.813 . . 1 . . . B . 50 LEU N . 52140 2 91 . 2 . 2 51 51 GLU H H 1 8.31 . . 1 . . . B . 51 GLU H . 52140 2 92 . 2 . 2 51 51 GLU N N 15 123.157 . . 1 . . . B . 51 GLU N . 52140 2 93 . 2 . 2 52 52 ASP H H 1 8.091 . . 1 . . . B . 52 ASP H . 52140 2 94 . 2 . 2 52 52 ASP N N 15 120.464 . . 1 . . . B . 52 ASP N . 52140 2 95 . 2 . 2 54 54 ARG H H 1 7.375 . . 1 . . . B . 54 ARG H . 52140 2 96 . 2 . 2 54 54 ARG N N 15 119.429 . . 1 . . . B . 54 ARG N . 52140 2 97 . 2 . 2 55 55 THR H H 1 8.752 . . 1 . . . B . 55 THR H . 52140 2 98 . 2 . 2 55 55 THR N N 15 108.904 . . 1 . . . B . 55 THR N . 52140 2 99 . 2 . 2 56 56 LEU H H 1 8.074 . . 1 . . . B . 56 LEU H . 52140 2 100 . 2 . 2 56 56 LEU N N 15 118.055 . . 1 . . . B . 56 LEU N . 52140 2 101 . 2 . 2 57 57 SER H H 1 8.407 . . 1 . . . B . 57 SER H . 52140 2 102 . 2 . 2 57 57 SER N N 15 113.586 . . 1 . . . B . 57 SER N . 52140 2 103 . 2 . 2 58 58 ASP H H 1 7.851 . . 1 . . . B . 58 ASP H . 52140 2 104 . 2 . 2 58 58 ASP N N 15 124.568 . . 1 . . . B . 58 ASP N . 52140 2 105 . 2 . 2 59 59 TYR H H 1 7.177 . . 1 . . . B . 59 TYR H . 52140 2 106 . 2 . 2 59 59 TYR N N 15 115.837 . . 1 . . . B . 59 TYR N . 52140 2 107 . 2 . 2 60 60 ASN H H 1 8.069 . . 1 . . . B . 60 ASN H . 52140 2 108 . 2 . 2 60 60 ASN N N 15 115.993 . . 1 . . . B . 60 ASN N . 52140 2 109 . 2 . 2 61 61 ILE H H 1 7.162 . . 1 . . . B . 61 ILE H . 52140 2 110 . 2 . 2 61 61 ILE N N 15 119.028 . . 1 . . . B . 61 ILE N . 52140 2 111 . 2 . 2 62 62 GLN H H 1 7.562 . . 1 . . . B . 62 GLN H . 52140 2 112 . 2 . 2 62 62 GLN N N 15 124.986 . . 1 . . . B . 62 GLN N . 52140 2 113 . 2 . 2 63 63 ARG H H 1 8.415 . . 1 . . . B . 63 ARG H . 52140 2 114 . 2 . 2 63 63 ARG N N 15 120.573 . . 1 . . . B . 63 ARG N . 52140 2 115 . 2 . 2 64 64 GLU H H 1 9.236 . . 1 . . . B . 64 GLU H . 52140 2 116 . 2 . 2 64 64 GLU N N 15 115.201 . . 1 . . . B . 64 GLU N . 52140 2 117 . 2 . 2 65 65 SER H H 1 7.644 . . 1 . . . B . 65 SER H . 52140 2 118 . 2 . 2 65 65 SER N N 15 115.078 . . 1 . . . B . 65 SER N . 52140 2 119 . 2 . 2 66 66 THR H H 1 8.623 . . 1 . . . B . 66 THR H . 52140 2 120 . 2 . 2 66 66 THR N N 15 117.445 . . 1 . . . B . 66 THR N . 52140 2 121 . 2 . 2 67 67 LEU H H 1 9.335 . . 1 . . . B . 67 LEU H . 52140 2 122 . 2 . 2 67 67 LEU N N 15 127.899 . . 1 . . . B . 67 LEU N . 52140 2 123 . 2 . 2 68 68 HIS H H 1 9.14 . . 1 . . . B . 68 HIS H . 52140 2 124 . 2 . 2 68 68 HIS N N 15 119.661 . . 1 . . . B . 68 HIS N . 52140 2 125 . 2 . 2 69 69 LEU H H 1 8.193 . . 1 . . . B . 69 LEU H . 52140 2 126 . 2 . 2 69 69 LEU N N 15 123.759 . . 1 . . . B . 69 LEU N . 52140 2 127 . 2 . 2 70 70 VAL H H 1 9.108 . . 1 . . . B . 70 VAL H . 52140 2 128 . 2 . 2 70 70 VAL N N 15 126.859 . . 1 . . . B . 70 VAL N . 52140 2 129 . 2 . 2 71 71 LEU H H 1 8.039 . . 1 . . . B . 71 LEU H . 52140 2 130 . 2 . 2 71 71 LEU N N 15 123.108 . . 1 . . . B . 71 LEU N . 52140 2 131 . 2 . 2 72 72 ARG H H 1 8.469 . . 1 . . . B . 72 ARG H . 52140 2 132 . 2 . 2 72 72 ARG N N 15 123.65 . . 1 . . . B . 72 ARG N . 52140 2 133 . 2 . 2 73 73 LEU H H 1 8.306 . . 1 . . . B . 73 LEU H . 52140 2 134 . 2 . 2 73 73 LEU N N 15 124.609 . . 1 . . . B . 73 LEU N . 52140 2 135 . 2 . 2 74 74 ARG H H 1 8.45 . . 1 . . . B . 74 ARG H . 52140 2 136 . 2 . 2 74 74 ARG N N 15 122.505 . . 1 . . . B . 74 ARG N . 52140 2 137 . 2 . 2 75 75 GLY H H 1 8.53 . . 1 . . . B . 75 GLY H . 52140 2 138 . 2 . 2 75 75 GLY N N 15 111.109 . . 1 . . . B . 75 GLY N . 52140 2 139 . 2 . 2 76 76 GLY H H 1 8.29 . . 1 . . . B . 76 GLY H . 52140 2 140 . 2 . 2 76 76 GLY N N 15 109.324 . . 1 . . . B . 76 GLY N . 52140 2 stop_ save_