################################### # 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 52127 _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 48 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 6 lost two hydrogens and got transformed into an amide group (NH). ; _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' . . . 52127 1 3 '3D 1H-15N NOESY' . . . 52127 1 5 '3D 1H-15N TOCSY' . . . 52127 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 . . 52127 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 8.878 . . 1 . . . A . 2 GLN H . 52127 1 2 . 1 . 1 2 2 GLN N N 15 122.997 . . 1 . . . A . 2 GLN N . 52127 1 3 . 1 . 1 3 3 ILE H H 1 8.213 . . 1 . . . A . 3 ILE H . 52127 1 4 . 1 . 1 3 3 ILE N N 15 115.12 . . 1 . . . A . 3 ILE N . 52127 1 5 . 1 . 1 4 4 PHE H H 1 8.496 . . 1 . . . A . 4 PHE H . 52127 1 6 . 1 . 1 4 4 PHE N N 15 118.681 . . 1 . . . A . 4 PHE N . 52127 1 7 . 1 . 1 5 5 VAL H H 1 9.218 . . 1 . . . A . 5 VAL H . 52127 1 8 . 1 . 1 5 5 VAL N N 15 121.569 . . 1 . . . A . 5 VAL N . 52127 1 9 . 1 . 1 6 6 LYS H H 1 8.915 . . 1 . . . A . 6 LYS H . 52127 1 10 . 1 . 1 6 6 LYS N N 15 128.042 . . 1 . . . A . 6 LYS N . 52127 1 11 . 1 . 1 7 7 THR H H 1 8.656 . . 1 . . . A . 7 THR H . 52127 1 12 . 1 . 1 7 7 THR N N 15 114.873 . . 1 . . . A . 7 THR N . 52127 1 13 . 1 . 1 8 8 LEU H H 1 9.086 . . 1 . . . A . 8 LEU H . 52127 1 14 . 1 . 1 8 8 LEU N N 15 121.126 . . 1 . . . A . 8 LEU N . 52127 1 15 . 1 . 1 9 9 THR H H 1 7.525 . . 1 . . . A . 9 THR H . 52127 1 16 . 1 . 1 9 9 THR N N 15 105.774 . . 1 . . . A . 9 THR N . 52127 1 17 . 1 . 1 10 10 GLY H H 1 7.666 . . 1 . . . A . 10 GLY H . 52127 1 18 . 1 . 1 10 10 GLY N N 15 109.159 . . 1 . . . A . 10 GLY N . 52127 1 19 . 1 . 1 11 11 LYS H H 1 7.224 . . 1 . . . A . 11 LYS H . 52127 1 20 . 1 . 1 11 11 LYS N N 15 122.067 . . 1 . . . A . 11 LYS N . 52127 1 21 . 1 . 1 12 12 THR H H 1 8.576 . . 1 . . . A . 12 THR H . 52127 1 22 . 1 . 1 12 12 THR N N 15 120.86 . . 1 . . . A . 12 THR N . 52127 1 23 . 1 . 1 13 13 ILE H H 1 9.503 . . 1 . . . A . 13 ILE H . 52127 1 24 . 1 . 1 13 13 ILE N N 15 128.101 . . 1 . . . A . 13 ILE N . 52127 1 25 . 1 . 1 14 14 THR H H 1 8.659 . . 1 . . . A . 14 THR H . 52127 1 26 . 1 . 1 14 14 THR N N 15 121.87 . . 1 . . . A . 14 THR N . 52127 1 27 . 1 . 1 15 15 LEU H H 1 8.621 . . 1 . . . A . 15 LEU H . 52127 1 28 . 1 . 1 15 15 LEU N N 15 125.21 . . 1 . . . A . 15 LEU N . 52127 1 29 . 1 . 1 16 16 GLU H H 1 8.03 . . 1 . . . A . 16 GLU H . 52127 1 30 . 1 . 1 16 16 GLU N N 15 122.38 . . 1 . . . A . 16 GLU N . 52127 1 31 . 1 . 1 17 17 VAL H H 1 8.859 . . 1 . . . A . 17 VAL H . 52127 1 32 . 1 . 1 17 17 VAL N N 15 117.602 . . 1 . . . A . 17 VAL N . 52127 1 33 . 1 . 1 18 18 GLU H H 1 8.568 . . 1 . . . A . 18 GLU H . 52127 1 34 . 1 . 1 18 18 GLU N N 15 119.328 . . 1 . . . A . 18 GLU N . 52127 1 35 . 1 . 1 20 20 SER H H 1 6.941 . . 1 . . . A . 20 SER H . 52127 1 36 . 1 . 1 20 20 SER N N 15 103.456 . . 1 . . . A . 20 SER N . 52127 1 37 . 1 . 1 21 21 ASP H H 1 7.962 . . 1 . . . A . 21 ASP H . 52127 1 38 . 1 . 1 21 21 ASP N N 15 123.993 . . 1 . . . A . 21 ASP N . 52127 1 39 . 1 . 1 22 22 THR H H 1 7.794 . . 1 . . . A . 22 THR H . 52127 1 40 . 1 . 1 22 22 THR N N 15 109.102 . . 1 . . . A . 22 THR N . 52127 1 41 . 1 . 1 23 23 ILE H H 1 8.415 . . 1 . . . A . 23 ILE H . 52127 1 42 . 1 . 1 23 23 ILE N N 15 121.382 . . 1 . . . A . 23 ILE N . 52127 1 43 . 1 . 1 25 25 ASN H H 1 7.848 . . 1 . . . A . 25 ASN H . 52127 1 44 . 1 . 1 25 25 ASN N N 15 121.529 . . 1 . . . A . 25 ASN N . 52127 1 45 . 1 . 1 26 26 VAL H H 1 8.03 . . 1 . . . A . 26 VAL H . 52127 1 46 . 1 . 1 26 26 VAL N N 15 122.38 . . 1 . . . A . 26 VAL N . 52127 1 47 . 1 . 1 27 27 LYS H H 1 8.467 . . 1 . . . A . 27 LYS H . 52127 1 48 . 1 . 1 27 27 LYS N N 15 118.954 . . 1 . . . A . 27 LYS N . 52127 1 49 . 1 . 1 28 28 ALA H H 1 7.871 . . 1 . . . A . 28 ALA H . 52127 1 50 . 1 . 1 28 28 ALA N N 15 123.464 . . 1 . . . A . 28 ALA N . 52127 1 51 . 1 . 1 29 29 LYS H H 1 7.762 . . 1 . . . A . 29 LYS H . 52127 1 52 . 1 . 1 29 29 LYS N N 15 120.305 . . 1 . . . A . 29 LYS N . 52127 1 53 . 1 . 1 30 30 ILE H H 1 8.189 . . 1 . . . A . 30 ILE H . 52127 1 54 . 1 . 1 30 30 ILE N N 15 121.47 . . 1 . . . A . 30 ILE N . 52127 1 55 . 1 . 1 31 31 GLN H H 1 8.477 . . 1 . . . A . 31 GLN H . 52127 1 56 . 1 . 1 31 31 GLN N N 15 123.667 . . 1 . . . A . 31 GLN N . 52127 1 57 . 1 . 1 32 32 ASP H H 1 7.944 . . 1 . . . A . 32 ASP H . 52127 1 58 . 1 . 1 32 32 ASP N N 15 119.837 . . 1 . . . A . 32 ASP N . 52127 1 59 . 1 . 1 33 33 LYS H H 1 7.339 . . 1 . . . A . 33 LYS H . 52127 1 60 . 1 . 1 33 33 LYS N N 15 115.55 . . 1 . . . A . 33 LYS N . 52127 1 61 . 1 . 1 34 34 GLU H H 1 8.634 . . 1 . . . A . 34 GLU H . 52127 1 62 . 1 . 1 34 34 GLU N N 15 114.258 . . 1 . . . A . 34 GLU N . 52127 1 63 . 1 . 1 35 35 GLY H H 1 8.41 . . 1 . . . A . 35 GLY H . 52127 1 64 . 1 . 1 35 35 GLY N N 15 108.983 . . 1 . . . A . 35 GLY N . 52127 1 65 . 1 . 1 36 36 ILE H H 1 6.054 . . 1 . . . A . 36 ILE H . 52127 1 66 . 1 . 1 36 36 ILE N N 15 120.447 . . 1 . . . A . 36 ILE N . 52127 1 67 . 1 . 1 39 39 ASP H H 1 8.457 . . 1 . . . A . 39 ASP H . 52127 1 68 . 1 . 1 39 39 ASP N N 15 113.711 . . 1 . . . A . 39 ASP N . 52127 1 69 . 1 . 1 40 40 GLN H H 1 7.705 . . 1 . . . A . 40 GLN H . 52127 1 70 . 1 . 1 40 40 GLN N N 15 116.947 . . 1 . . . A . 40 GLN N . 52127 1 71 . 1 . 1 41 41 GLN H H 1 7.381 . . 1 . . . A . 41 GLN H . 52127 1 72 . 1 . 1 41 41 GLN N N 15 117.918 . . 1 . . . A . 41 GLN N . 52127 1 73 . 1 . 1 42 42 ARG H H 1 8.424 . . 1 . . . A . 42 ARG H . 52127 1 74 . 1 . 1 42 42 ARG N N 15 122.927 . . 1 . . . A . 42 ARG N . 52127 1 75 . 1 . 1 43 43 LEU H H 1 8.734 . . 1 . . . A . 43 LEU H . 52127 1 76 . 1 . 1 43 43 LEU N N 15 124.342 . . 1 . . . A . 43 LEU N . 52127 1 77 . 1 . 1 44 44 ILE H H 1 9.047 . . 1 . . . A . 44 ILE H . 52127 1 78 . 1 . 1 44 44 ILE N N 15 122.499 . . 1 . . . A . 44 ILE N . 52127 1 79 . 1 . 1 45 45 PHE H H 1 8.804 . . 1 . . . A . 45 PHE H . 52127 1 80 . 1 . 1 45 45 PHE N N 15 125.352 . . 1 . . . A . 45 PHE N . 52127 1 81 . 1 . 1 46 46 ALA H H 1 8.849 . . 1 . . . A . 46 ALA H . 52127 1 82 . 1 . 1 46 46 ALA N N 15 132.551 . . 1 . . . A . 46 ALA N . 52127 1 83 . 1 . 1 47 47 GLY H H 1 8.039 . . 1 . . . A . 47 GLY H . 52127 1 84 . 1 . 1 47 47 GLY N N 15 102.321 . . 1 . . . A . 47 GLY N . 52127 1 85 . 1 . 1 48 48 LYS H H 1 7.909 . . 1 . . . A . 48 LYS H . 52127 1 86 . 1 . 1 48 48 LYS HZ H 1 7.98 . . 1 . . . A . 48 LYS HZ . 52127 1 87 . 1 . 1 48 48 LYS N N 15 122.214 . . 1 . . . A . 48 LYS N . 52127 1 88 . 1 . 1 48 48 LYS NZ N 15 120.832 . . 1 . . . A . 48 LYS NZ . 52127 1 89 . 1 . 1 49 49 GLN H H 1 8.585 . . 1 . . . A . 49 GLN H . 52127 1 90 . 1 . 1 49 49 GLN N N 15 123.716 . . 1 . . . A . 49 GLN N . 52127 1 91 . 1 . 1 50 50 LEU H H 1 8.51 . . 1 . . . A . 50 LEU H . 52127 1 92 . 1 . 1 50 50 LEU N N 15 125.942 . . 1 . . . A . 50 LEU N . 52127 1 93 . 1 . 1 51 51 GLU H H 1 8.293 . . 1 . . . A . 51 GLU H . 52127 1 94 . 1 . 1 51 51 GLU N N 15 122.849 . . 1 . . . A . 51 GLU N . 52127 1 95 . 1 . 1 52 52 ASP H H 1 8.099 . . 1 . . . A . 52 ASP H . 52127 1 96 . 1 . 1 52 52 ASP N N 15 120.582 . . 1 . . . A . 52 ASP N . 52127 1 97 . 1 . 1 54 54 ARG H H 1 7.362 . . 1 . . . A . 54 ARG H . 52127 1 98 . 1 . 1 54 54 ARG N N 15 119.367 . . 1 . . . A . 54 ARG N . 52127 1 99 . 1 . 1 55 55 THR H H 1 8.723 . . 1 . . . A . 55 THR H . 52127 1 100 . 1 . 1 55 55 THR N N 15 108.848 . . 1 . . . A . 55 THR N . 52127 1 101 . 1 . 1 56 56 LEU H H 1 8.057 . . 1 . . . A . 56 LEU H . 52127 1 102 . 1 . 1 56 56 LEU N N 15 118.048 . . 1 . . . A . 56 LEU N . 52127 1 103 . 1 . 1 57 57 SER H H 1 8.392 . . 1 . . . A . 57 SER H . 52127 1 104 . 1 . 1 57 57 SER N N 15 113.439 . . 1 . . . A . 57 SER N . 52127 1 105 . 1 . 1 58 58 ASP H H 1 7.85 . . 1 . . . A . 58 ASP H . 52127 1 106 . 1 . 1 58 58 ASP N N 15 124.734 . . 1 . . . A . 58 ASP N . 52127 1 107 . 1 . 1 59 59 TYR H H 1 7.121 . . 1 . . . A . 59 TYR H . 52127 1 108 . 1 . 1 59 59 TYR N N 15 115.622 . . 1 . . . A . 59 TYR N . 52127 1 109 . 1 . 1 60 60 ASN H H 1 8.052 . . 1 . . . A . 60 ASN H . 52127 1 110 . 1 . 1 60 60 ASN N N 15 115.822 . . 1 . . . A . 60 ASN N . 52127 1 111 . 1 . 1 61 61 ILE H H 1 7.17 . . 1 . . . A . 61 ILE H . 52127 1 112 . 1 . 1 61 61 ILE N N 15 119.058 . . 1 . . . A . 61 ILE N . 52127 1 113 . 1 . 1 62 62 GLN H H 1 7.545 . . 1 . . . A . 62 GLN H . 52127 1 114 . 1 . 1 62 62 GLN N N 15 124.991 . . 1 . . . A . 62 GLN N . 52127 1 115 . 1 . 1 63 63 LYS H H 1 8.41 . . 1 . . . A . 63 LYS H . 52127 1 116 . 1 . 1 63 63 LYS N N 15 120.645 . . 1 . . . A . 63 LYS N . 52127 1 117 . 1 . 1 64 64 GLU H H 1 9.233 . . 1 . . . A . 64 GLU H . 52127 1 118 . 1 . 1 64 64 GLU N N 15 114.746 . . 1 . . . A . 64 GLU N . 52127 1 119 . 1 . 1 65 65 SER H H 1 7.585 . . 1 . . . A . 65 SER H . 52127 1 120 . 1 . 1 65 65 SER N N 15 115.02 . . 1 . . . A . 65 SER N . 52127 1 121 . 1 . 1 66 66 THR H H 1 8.622 . . 1 . . . A . 66 THR H . 52127 1 122 . 1 . 1 66 66 THR N N 15 117.509 . . 1 . . . A . 66 THR N . 52127 1 123 . 1 . 1 67 67 LEU H H 1 9.304 . . 1 . . . A . 67 LEU H . 52127 1 124 . 1 . 1 67 67 LEU N N 15 128.011 . . 1 . . . A . 67 LEU N . 52127 1 125 . 1 . 1 68 68 HIS H H 1 9.118 . . 1 . . . A . 68 HIS H . 52127 1 126 . 1 . 1 68 68 HIS N N 15 119.352 . . 1 . . . A . 68 HIS N . 52127 1 127 . 1 . 1 69 69 LEU H H 1 8.201 . . 1 . . . A . 69 LEU H . 52127 1 128 . 1 . 1 69 69 LEU N N 15 123.681 . . 1 . . . A . 69 LEU N . 52127 1 129 . 1 . 1 70 70 VAL H H 1 9.022 . . 1 . . . A . 70 VAL H . 52127 1 130 . 1 . 1 70 70 VAL N N 15 126.202 . . 1 . . . A . 70 VAL N . 52127 1 131 . 1 . 1 71 71 LEU H H 1 7.988 . . 1 . . . A . 71 LEU H . 52127 1 132 . 1 . 1 71 71 LEU N N 15 123.143 . . 1 . . . A . 71 LEU N . 52127 1 133 . 1 . 1 72 72 ARG H H 1 8.567 . . 1 . . . A . 72 ARG H . 52127 1 134 . 1 . 1 72 72 ARG N N 15 123.46 . . 1 . . . A . 72 ARG N . 52127 1 135 . 1 . 1 73 73 LEU H H 1 8.356 . . 1 . . . A . 73 LEU H . 52127 1 136 . 1 . 1 73 73 LEU N N 15 124.998 . . 1 . . . A . 73 LEU N . 52127 1 137 . 1 . 1 74 74 ARG H H 1 8.401 . . 1 . . . A . 74 ARG H . 52127 1 138 . 1 . 1 74 74 ARG N N 15 121.982 . . 1 . . . A . 74 ARG N . 52127 1 139 . 1 . 1 75 75 GLY H H 1 8.482 . . 1 . . . A . 75 GLY H . 52127 1 140 . 1 . 1 75 75 GLY N N 15 110.794 . . 1 . . . A . 75 GLY N . 52127 1 141 . 1 . 1 76 76 GLY H H 1 8.153 . . 1 . . . A . 76 GLY H . 52127 1 142 . 1 . 1 76 76 GLY N N 15 109.343 . . 1 . . . A . 76 GLY N . 52127 1 143 . 1 . 1 77 77 ASP H H 1 7.891 . . 1 . . . A . 77 ASP H . 52127 1 144 . 1 . 1 77 77 ASP N N 15 125.711 . . 1 . . . A . 77 ASP N . 52127 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 52127 _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' . . . 52127 2 4 '3D 1H-15N NOESY' . . . 52127 2 6 '3D 1H-15N TOCSY' . . . 52127 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 . . 52127 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 8.879 . . 1 . . . B . 2 GLN H . 52127 2 2 . 2 . 2 2 2 GLN N N 15 123.005 . . 1 . . . B . 2 GLN N . 52127 2 3 . 2 . 2 3 3 ILE H H 1 8.216 . . 1 . . . B . 3 ILE H . 52127 2 4 . 2 . 2 3 3 ILE N N 15 115.132 . . 1 . . . B . 3 ILE N . 52127 2 5 . 2 . 2 4 4 PHE H H 1 8.507 . . 1 . . . B . 4 PHE H . 52127 2 6 . 2 . 2 4 4 PHE N N 15 118.621 . . 1 . . . B . 4 PHE N . 52127 2 7 . 2 . 2 5 5 VAL H H 1 9.213 . . 1 . . . B . 5 VAL H . 52127 2 8 . 2 . 2 5 5 VAL N N 15 121.492 . . 1 . . . B . 5 VAL N . 52127 2 9 . 2 . 2 6 6 LYS H H 1 8.907 . . 1 . . . B . 6 LYS H . 52127 2 10 . 2 . 2 6 6 LYS N N 15 128.05 . . 1 . . . B . 6 LYS N . 52127 2 11 . 2 . 2 7 7 THR H H 1 8.666 . . 1 . . . B . 7 THR H . 52127 2 12 . 2 . 2 7 7 THR N N 15 115.004 . . 1 . . . B . 7 THR N . 52127 2 13 . 2 . 2 8 8 LEU H H 1 9.037 . . 1 . . . B . 8 LEU H . 52127 2 14 . 2 . 2 8 8 LEU N N 15 121.069 . . 1 . . . B . 8 LEU N . 52127 2 15 . 2 . 2 9 9 THR H H 1 7.52 . . 1 . . . B . 9 THR H . 52127 2 16 . 2 . 2 9 9 THR N N 15 105.717 . . 1 . . . B . 9 THR N . 52127 2 17 . 2 . 2 10 10 GLY H H 1 7.667 . . 1 . . . B . 10 GLY H . 52127 2 18 . 2 . 2 10 10 GLY N N 15 109.14 . . 1 . . . B . 10 GLY N . 52127 2 19 . 2 . 2 11 11 LYS H H 1 7.209 . . 1 . . . B . 11 LYS H . 52127 2 20 . 2 . 2 11 11 LYS N N 15 122.002 . . 1 . . . B . 11 LYS N . 52127 2 21 . 2 . 2 12 12 THR H H 1 8.573 . . 1 . . . B . 12 THR H . 52127 2 22 . 2 . 2 12 12 THR N N 15 120.769 . . 1 . . . B . 12 THR N . 52127 2 23 . 2 . 2 13 13 ILE H H 1 9.484 . . 1 . . . B . 13 ILE H . 52127 2 24 . 2 . 2 13 13 ILE N N 15 127.891 . . 1 . . . B . 13 ILE N . 52127 2 25 . 2 . 2 14 14 THR H H 1 8.654 . . 1 . . . B . 14 THR H . 52127 2 26 . 2 . 2 14 14 THR N N 15 121.695 . . 1 . . . B . 14 THR N . 52127 2 27 . 2 . 2 15 15 LEU H H 1 8.627 . . 1 . . . B . 15 LEU H . 52127 2 28 . 2 . 2 15 15 LEU N N 15 125.182 . . 1 . . . B . 15 LEU N . 52127 2 29 . 2 . 2 16 16 GLU H H 1 8.029 . . 1 . . . B . 16 GLU H . 52127 2 30 . 2 . 2 16 16 GLU N N 15 122.401 . . 1 . . . B . 16 GLU N . 52127 2 31 . 2 . 2 17 17 VAL H H 1 8.857 . . 1 . . . B . 17 VAL H . 52127 2 32 . 2 . 2 17 17 VAL N N 15 117.582 . . 1 . . . B . 17 VAL N . 52127 2 33 . 2 . 2 18 18 GLU H H 1 8.56 . . 1 . . . B . 18 GLU H . 52127 2 34 . 2 . 2 18 18 GLU N N 15 119.309 . . 1 . . . B . 18 GLU N . 52127 2 35 . 2 . 2 20 20 SER H H 1 6.937 . . 1 . . . B . 20 SER H . 52127 2 36 . 2 . 2 20 20 SER N N 15 103.449 . . 1 . . . B . 20 SER N . 52127 2 37 . 2 . 2 21 21 ASP H H 1 7.962 . . 1 . . . B . 21 ASP H . 52127 2 38 . 2 . 2 21 21 ASP N N 15 124.006 . . 1 . . . B . 21 ASP N . 52127 2 39 . 2 . 2 22 22 THR H H 1 7.802 . . 1 . . . B . 22 THR H . 52127 2 40 . 2 . 2 22 22 THR N N 15 109.121 . . 1 . . . B . 22 THR N . 52127 2 41 . 2 . 2 23 23 ILE H H 1 8.417 . . 1 . . . B . 23 ILE H . 52127 2 42 . 2 . 2 23 23 ILE N N 15 121.248 . . 1 . . . B . 23 ILE N . 52127 2 43 . 2 . 2 25 25 ASN H H 1 7.849 . . 1 . . . B . 25 ASN H . 52127 2 44 . 2 . 2 25 25 ASN N N 15 121.494 . . 1 . . . B . 25 ASN N . 52127 2 45 . 2 . 2 26 26 VAL H H 1 8.029 . . 1 . . . B . 26 VAL H . 52127 2 46 . 2 . 2 26 26 VAL N N 15 122.401 . . 1 . . . B . 26 VAL N . 52127 2 47 . 2 . 2 27 27 LYS H H 1 8.473 . . 1 . . . B . 27 LYS H . 52127 2 48 . 2 . 2 27 27 LYS N N 15 118.967 . . 1 . . . B . 27 LYS N . 52127 2 49 . 2 . 2 28 28 ALA H H 1 7.873 . . 1 . . . B . 28 ALA H . 52127 2 50 . 2 . 2 28 28 ALA N N 15 123.465 . . 1 . . . B . 28 ALA N . 52127 2 51 . 2 . 2 29 29 LYS H H 1 7.763 . . 1 . . . B . 29 LYS H . 52127 2 52 . 2 . 2 29 29 LYS N N 15 120.296 . . 1 . . . B . 29 LYS N . 52127 2 53 . 2 . 2 30 30 ILE H H 1 8.185 . . 1 . . . B . 30 ILE H . 52127 2 54 . 2 . 2 30 30 ILE N N 15 121.431 . . 1 . . . B . 30 ILE N . 52127 2 55 . 2 . 2 31 31 GLN H H 1 8.466 . . 1 . . . B . 31 GLN H . 52127 2 56 . 2 . 2 31 31 GLN N N 15 123.627 . . 1 . . . B . 31 GLN N . 52127 2 57 . 2 . 2 32 32 ASP H H 1 7.945 . . 1 . . . B . 32 ASP H . 52127 2 58 . 2 . 2 32 32 ASP N N 15 119.839 . . 1 . . . B . 32 ASP N . 52127 2 59 . 2 . 2 33 33 LYS H H 1 7.341 . . 1 . . . B . 33 LYS H . 52127 2 60 . 2 . 2 33 33 LYS N N 15 115.581 . . 1 . . . B . 33 LYS N . 52127 2 61 . 2 . 2 34 34 GLU H H 1 8.628 . . 1 . . . B . 34 GLU H . 52127 2 62 . 2 . 2 34 34 GLU N N 15 114.329 . . 1 . . . B . 34 GLU N . 52127 2 63 . 2 . 2 35 35 GLY H H 1 8.404 . . 1 . . . B . 35 GLY H . 52127 2 64 . 2 . 2 35 35 GLY N N 15 108.926 . . 1 . . . B . 35 GLY N . 52127 2 65 . 2 . 2 36 36 ILE H H 1 6.059 . . 1 . . . B . 36 ILE H . 52127 2 66 . 2 . 2 36 36 ILE N N 15 120.353 . . 1 . . . B . 36 ILE N . 52127 2 67 . 2 . 2 39 39 ASP H H 1 8.456 . . 1 . . . B . 39 ASP H . 52127 2 68 . 2 . 2 39 39 ASP N N 15 113.724 . . 1 . . . B . 39 ASP N . 52127 2 69 . 2 . 2 40 40 GLN H H 1 7.722 . . 1 . . . B . 40 GLN H . 52127 2 70 . 2 . 2 40 40 GLN N N 15 117.018 . . 1 . . . B . 40 GLN N . 52127 2 71 . 2 . 2 41 41 GLN H H 1 7.395 . . 1 . . . B . 41 GLN H . 52127 2 72 . 2 . 2 41 41 GLN N N 15 117.986 . . 1 . . . B . 41 GLN N . 52127 2 73 . 2 . 2 42 42 ARG H H 1 8.411 . . 1 . . . B . 42 ARG H . 52127 2 74 . 2 . 2 42 42 ARG N N 15 122.977 . . 1 . . . B . 42 ARG N . 52127 2 75 . 2 . 2 43 43 LEU H H 1 8.759 . . 1 . . . B . 43 LEU H . 52127 2 76 . 2 . 2 43 43 LEU N N 15 124.406 . . 1 . . . B . 43 LEU N . 52127 2 77 . 2 . 2 44 44 ILE H H 1 9.044 . . 1 . . . B . 44 ILE H . 52127 2 78 . 2 . 2 44 44 ILE N N 15 122.333 . . 1 . . . B . 44 ILE N . 52127 2 79 . 2 . 2 45 45 PHE H H 1 8.773 . . 1 . . . B . 45 PHE H . 52127 2 80 . 2 . 2 45 45 PHE N N 15 124.931 . . 1 . . . B . 45 PHE N . 52127 2 81 . 2 . 2 46 46 ALA H H 1 8.949 . . 1 . . . B . 46 ALA H . 52127 2 82 . 2 . 2 46 46 ALA N N 15 133.487 . . 1 . . . B . 46 ALA N . 52127 2 83 . 2 . 2 47 47 GLY H H 1 8.079 . . 1 . . . B . 47 GLY H . 52127 2 84 . 2 . 2 47 47 GLY N N 15 102.336 . . 1 . . . B . 47 GLY N . 52127 2 85 . 2 . 2 48 48 ARG H H 1 7.87 . . 1 . . . B . 48 ARG H . 52127 2 86 . 2 . 2 48 48 ARG N N 15 121.292 . . 1 . . . B . 48 ARG N . 52127 2 87 . 2 . 2 49 49 GLN H H 1 8.674 . . 1 . . . B . 49 GLN H . 52127 2 88 . 2 . 2 49 49 GLN N N 15 123.613 . . 1 . . . B . 49 GLN N . 52127 2 89 . 2 . 2 50 50 LEU H H 1 8.499 . . 1 . . . B . 50 LEU H . 52127 2 90 . 2 . 2 50 50 LEU N N 15 125.795 . . 1 . . . B . 50 LEU N . 52127 2 91 . 2 . 2 51 51 GLU H H 1 8.295 . . 1 . . . B . 51 GLU H . 52127 2 92 . 2 . 2 51 51 GLU N N 15 123.019 . . 1 . . . B . 51 GLU N . 52127 2 93 . 2 . 2 52 52 ASP H H 1 8.103 . . 1 . . . B . 52 ASP H . 52127 2 94 . 2 . 2 52 52 ASP N N 15 120.447 . . 1 . . . B . 52 ASP N . 52127 2 95 . 2 . 2 54 54 ARG H H 1 7.361 . . 1 . . . B . 54 ARG H . 52127 2 96 . 2 . 2 54 54 ARG N N 15 119.41 . . 1 . . . B . 54 ARG N . 52127 2 97 . 2 . 2 55 55 THR H H 1 8.749 . . 1 . . . B . 55 THR H . 52127 2 98 . 2 . 2 55 55 THR N N 15 108.901 . . 1 . . . B . 55 THR N . 52127 2 99 . 2 . 2 56 56 LEU H H 1 8.06 . . 1 . . . B . 56 LEU H . 52127 2 100 . 2 . 2 56 56 LEU N N 15 118.044 . . 1 . . . B . 56 LEU N . 52127 2 101 . 2 . 2 57 57 SER H H 1 8.4 . . 1 . . . B . 57 SER H . 52127 2 102 . 2 . 2 57 57 SER N N 15 113.59 . . 1 . . . B . 57 SER N . 52127 2 103 . 2 . 2 58 58 ASP H H 1 7.847 . . 1 . . . B . 58 ASP H . 52127 2 104 . 2 . 2 58 58 ASP N N 15 124.61 . . 1 . . . B . 58 ASP N . 52127 2 105 . 2 . 2 59 59 TYR H H 1 7.166 . . 1 . . . B . 59 TYR H . 52127 2 106 . 2 . 2 59 59 TYR N N 15 115.826 . . 1 . . . B . 59 TYR N . 52127 2 107 . 2 . 2 60 60 ASN H H 1 8.062 . . 1 . . . B . 60 ASN H . 52127 2 108 . 2 . 2 60 60 ASN N N 15 115.97 . . 1 . . . B . 60 ASN N . 52127 2 109 . 2 . 2 61 61 ILE H H 1 7.149 . . 1 . . . B . 61 ILE H . 52127 2 110 . 2 . 2 61 61 ILE N N 15 119.008 . . 1 . . . B . 61 ILE N . 52127 2 111 . 2 . 2 62 62 GLN H H 1 7.535 . . 1 . . . B . 62 GLN H . 52127 2 112 . 2 . 2 62 62 GLN N N 15 125 . . 1 . . . B . 62 GLN N . 52127 2 113 . 2 . 2 63 63 LYS H H 1 8.415 . . 1 . . . B . 63 LYS H . 52127 2 114 . 2 . 2 63 63 LYS N N 15 120.694 . . 1 . . . B . 63 LYS N . 52127 2 115 . 2 . 2 64 64 GLU H H 1 9.235 . . 1 . . . B . 64 GLU H . 52127 2 116 . 2 . 2 64 64 GLU N N 15 114.761 . . 1 . . . B . 64 GLU N . 52127 2 117 . 2 . 2 65 65 SER H H 1 7.583 . . 1 . . . B . 65 SER H . 52127 2 118 . 2 . 2 65 65 SER N N 15 115.039 . . 1 . . . B . 65 SER N . 52127 2 119 . 2 . 2 66 66 THR H H 1 8.627 . . 1 . . . B . 66 THR H . 52127 2 120 . 2 . 2 66 66 THR N N 15 117.507 . . 1 . . . B . 66 THR N . 52127 2 121 . 2 . 2 67 67 LEU H H 1 9.31 . . 1 . . . B . 67 LEU H . 52127 2 122 . 2 . 2 67 67 LEU N N 15 127.999 . . 1 . . . B . 67 LEU N . 52127 2 123 . 2 . 2 68 68 HIS H H 1 9.109 . . 1 . . . B . 68 HIS H . 52127 2 124 . 2 . 2 68 68 HIS N N 15 119.379 . . 1 . . . B . 68 HIS N . 52127 2 125 . 2 . 2 69 69 LEU H H 1 8.205 . . 1 . . . B . 69 LEU H . 52127 2 126 . 2 . 2 69 69 LEU N N 15 123.788 . . 1 . . . B . 69 LEU N . 52127 2 127 . 2 . 2 70 70 VAL H H 1 9.033 . . 1 . . . B . 70 VAL H . 52127 2 128 . 2 . 2 70 70 VAL N N 15 126.044 . . 1 . . . B . 70 VAL N . 52127 2 129 . 2 . 2 71 71 LEU H H 1 8.022 . . 1 . . . B . 71 LEU H . 52127 2 130 . 2 . 2 71 71 LEU N N 15 123.116 . . 1 . . . B . 71 LEU N . 52127 2 131 . 2 . 2 72 72 ARG H H 1 8.53 . . 1 . . . B . 72 ARG H . 52127 2 132 . 2 . 2 72 72 ARG N N 15 123.791 . . 1 . . . B . 72 ARG N . 52127 2 133 . 2 . 2 73 73 LEU H H 1 8.262 . . 1 . . . B . 73 LEU H . 52127 2 134 . 2 . 2 73 73 LEU N N 15 124.874 . . 1 . . . B . 73 LEU N . 52127 2 135 . 2 . 2 74 74 ARG H H 1 8.505 . . 1 . . . B . 74 ARG H . 52127 2 136 . 2 . 2 74 74 ARG N N 15 122.994 . . 1 . . . B . 74 ARG N . 52127 2 137 . 2 . 2 75 75 GLY H H 1 8.622 . . 1 . . . B . 75 GLY H . 52127 2 138 . 2 . 2 75 75 GLY N N 15 111.733 . . 1 . . . B . 75 GLY N . 52127 2 139 . 2 . 2 76 76 GLY H H 1 8.197 . . 1 . . . B . 76 GLY H . 52127 2 140 . 2 . 2 76 76 GLY N N 15 109.019 . . 1 . . . B . 76 GLY N . 52127 2 stop_ save_