################################### # 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 53581 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'ERdj4 JD amide backbone assignment' _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' . . . 53581 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 . . 53581 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 1 1 SER H H 1 8.581331965 . . 1 . . . . . 26 SER H . 53581 1 2 . 1 . 1 1 1 SER N N 15 117.1950012 . . 1 . . . . . 26 SER N . 53581 1 3 . 1 . 1 2 2 TYR H H 1 9.004464927 . . 1 . . . . . 27 TYR H . 53581 1 4 . 1 . 1 2 2 TYR N N 15 122.712882 . . 1 . . . . . 27 TYR N . 53581 1 5 . 1 . 1 3 3 TYR H H 1 7.152550169 . . 1 . . . . . 28 TYR H . 53581 1 6 . 1 . 1 3 3 TYR N N 15 116.3868674 . . 1 . . . . . 28 TYR N . 53581 1 7 . 1 . 1 4 4 ASP H H 1 7.264793501 . . 1 . . . . . 29 ASP H . 53581 1 8 . 1 . 1 4 4 ASP N N 15 120.2749966 . . 1 . . . . . 29 ASP N . 53581 1 9 . 1 . 1 5 5 ILE H H 1 8.033704476 . . 1 . . . . . 30 ILE H . 53581 1 10 . 1 . 1 5 5 ILE N N 15 121.8433091 . . 1 . . . . . 30 ILE N . 53581 1 11 . 1 . 1 6 6 LEU H H 1 6.975464658 . . 1 . . . . . 31 LEU H . 53581 1 12 . 1 . 1 6 6 LEU N N 15 115.6083382 . . 1 . . . . . 31 LEU N . 53581 1 13 . 1 . 1 7 7 GLN H H 1 7.77764 . . 1 . . . . . 32 GLN H . 53581 1 14 . 1 . 1 7 7 GLN N N 15 109.2694576 . . 1 . . . . . 32 GLN N . 53581 1 15 . 1 . 1 8 8 VAL H H 1 7.856362446 . . 1 . . . . . 33 VAL H . 53581 1 16 . 1 . 1 8 8 VAL N N 15 111.6961259 . . 1 . . . . . 33 VAL N . 53581 1 17 . 1 . 1 10 10 LYS H H 1 8.043769629 . . 1 . . . . . 35 LYS H . 53581 1 18 . 1 . 1 10 10 LYS N N 15 119.7022237 . . 1 . . . . . 35 LYS N . 53581 1 19 . 1 . 1 11 11 SER H H 1 6.990958849 . . 1 . . . . . 36 SER H . 53581 1 20 . 1 . 1 11 11 SER N N 15 108.2894619 . . 1 . . . . . 36 SER N . 53581 1 21 . 1 . 1 12 12 ALA H H 1 7.506210622 . . 1 . . . . . 37 ALA H . 53581 1 22 . 1 . 1 12 12 ALA N N 15 124.568322 . . 1 . . . . . 37 ALA N . 53581 1 23 . 1 . 1 13 13 SER H H 1 8.588900991 . . 1 . . . . . 38 SER H . 53581 1 24 . 1 . 1 13 13 SER N N 15 118.057045 . . 1 . . . . . 38 SER N . 53581 1 25 . 1 . 1 14 14 GLU H H 1 8.992750236 . . 1 . . . . . 39 GLU H . 53581 1 26 . 1 . 1 14 14 GLU N N 15 122.1299939 . . 1 . . . . . 39 GLU N . 53581 1 27 . 1 . 1 15 15 ARG H H 1 8.230857943 . . 1 . . . . . 40 ARG H . 53581 1 28 . 1 . 1 15 15 ARG N N 15 119.3182054 . . 1 . . . . . 40 ARG N . 53581 1 29 . 1 . 1 16 16 GLN H H 1 7.744287514 . . 1 . . . . . 41 GLN H . 53581 1 30 . 1 . 1 16 16 GLN N N 15 120.7167689 . . 1 . . . . . 41 GLN N . 53581 1 31 . 1 . 1 17 17 ILE H H 1 8.107232279 . . 1 . . . . . 42 ILE H . 53581 1 32 . 1 . 1 17 17 ILE N N 15 122.7401561 . . 1 . . . . . 42 ILE N . 53581 1 33 . 1 . 1 18 18 LYS H H 1 8.14031647 . . 1 . . . . . 43 LYS H . 53581 1 34 . 1 . 1 18 18 LYS N N 15 120.3596591 . . 1 . . . . . 43 LYS N . 53581 1 35 . 1 . 1 19 19 LYS H H 1 8.078578072 . . 1 . . . . . 44 LYS H . 53581 1 36 . 1 . 1 19 19 LYS N N 15 119.5121504 . . 1 . . . . . 44 LYS N . 53581 1 37 . 1 . 1 20 20 ALA H H 1 7.893465708 . . 1 . . . . . 45 ALA H . 53581 1 38 . 1 . 1 20 20 ALA N N 15 122.7183755 . . 1 . . . . . 45 ALA N . 53581 1 39 . 1 . 1 21 21 PHE H H 1 8.26 . . 1 . . . . . 46 PHE H . 53581 1 40 . 1 . 1 21 21 PHE N N 15 117.783 . . 1 . . . . . 46 PHE N . 53581 1 41 . 1 . 1 22 22 HIS H H 1 8.179 . . 1 . . . . . 47 HIS H . 53581 1 42 . 1 . 1 22 22 HIS N N 15 117.952 . . 1 . . . . . 47 HIS N . 53581 1 43 . 1 . 1 23 23 LYS H H 1 7.585402486 . . 1 . . . . . 48 LYS H . 53581 1 44 . 1 . 1 23 23 LYS N N 15 118.1905084 . . 1 . . . . . 48 LYS N . 53581 1 45 . 1 . 1 24 24 LEU H H 1 7.783248782 . . 1 . . . . . 49 LEU H . 53581 1 46 . 1 . 1 24 24 LEU N N 15 120.8876723 . . 1 . . . . . 49 LEU N . 53581 1 47 . 1 . 1 25 25 ALA H H 1 8.951627386 . . 1 . . . . . 50 ALA H . 53581 1 48 . 1 . 1 25 25 ALA N N 15 123.6784022 . . 1 . . . . . 50 ALA N . 53581 1 49 . 1 . 1 26 26 MET H H 1 7.175335102 . . 1 . . . . . 51 MET H . 53581 1 50 . 1 . 1 26 26 MET N N 15 114.3598581 . . 1 . . . . . 51 MET N . 53581 1 51 . 1 . 1 27 27 GLU H H 1 7.017079996 . . 1 . . . . . 52 GLU H . 53581 1 52 . 1 . 1 27 27 GLU N N 15 117.8500696 . . 1 . . . . . 52 GLU N . 53581 1 53 . 1 . 1 28 28 TYR H H 1 7.75847803 . . 1 . . . . . 53 TYR H . 53581 1 54 . 1 . 1 28 28 TYR N N 15 114.7978252 . . 1 . . . . . 53 TYR N . 53581 1 55 . 1 . 1 29 29 HIS H H 1 7.513314738 . . 1 . . . . . 54 HIS H . 53581 1 56 . 1 . 1 29 29 HIS N N 15 122.0352906 . . 1 . . . . . 54 HIS N . 53581 1 57 . 1 . 1 32 32 LYS H H 1 7.895827994 . . 1 . . . . . 57 LYS H . 53581 1 58 . 1 . 1 32 32 LYS N N 15 117.7748281 . . 1 . . . . . 57 LYS N . 53581 1 59 . 1 . 1 33 33 ASN H H 1 7.955328846 . . 1 . . . . . 58 ASN H . 53581 1 60 . 1 . 1 33 33 ASN N N 15 119.9236693 . . 1 . . . . . 58 ASN N . 53581 1 61 . 1 . 1 34 34 LYS H H 1 8.400500663 . . 1 . . . . . 59 LYS H . 53581 1 62 . 1 . 1 34 34 LYS N N 15 122.6398259 . . 1 . . . . . 59 LYS N . 53581 1 63 . 1 . 1 35 35 SER H H 1 8.170248338 . . 1 . . . . . 60 SER H . 53581 1 64 . 1 . 1 35 35 SER N N 15 118.7376414 . . 1 . . . . . 60 SER N . 53581 1 65 . 1 . 1 37 37 ASP H H 1 8.055789494 . . 1 . . . . . 62 ASP H . 53581 1 66 . 1 . 1 37 37 ASP N N 15 116.2097109 . . 1 . . . . . 62 ASP N . 53581 1 67 . 1 . 1 38 38 ALA H H 1 7.541548122 . . 1 . . . . . 63 ALA H . 53581 1 68 . 1 . 1 38 38 ALA N N 15 123.4870575 . . 1 . . . . . 63 ALA N . 53581 1 69 . 1 . 1 39 39 GLU H H 1 8.219 . . 1 . . . . . 64 GLU H . 53581 1 70 . 1 . 1 39 39 GLU N N 15 117.953 . . 1 . . . . . 64 GLU N . 53581 1 71 . 1 . 1 40 40 ALA H H 1 7.912006287 . . 1 . . . . . 65 ALA H . 53581 1 72 . 1 . 1 40 40 ALA N N 15 122.3168897 . . 1 . . . . . 65 ALA N . 53581 1 73 . 1 . 1 41 41 LYS H H 1 7.765253015 . . 1 . . . . . 66 LYS H . 53581 1 74 . 1 . 1 41 41 LYS N N 15 119.4627622 . . 1 . . . . . 66 LYS N . 53581 1 75 . 1 . 1 42 42 PHE H H 1 8.771924799 . . 1 . . . . . 67 PHE H . 53581 1 76 . 1 . 1 42 42 PHE N N 15 120.4810223 . . 1 . . . . . 67 PHE N . 53581 1 77 . 1 . 1 43 43 ARG H H 1 8.065182197 . . 1 . . . . . 68 ARG H . 53581 1 78 . 1 . 1 43 43 ARG N N 15 119.0282187 . . 1 . . . . . 68 ARG N . 53581 1 79 . 1 . 1 44 44 GLU H H 1 7.314510211 . . 1 . . . . . 69 GLU H . 53581 1 80 . 1 . 1 44 44 GLU N N 15 119.0916068 . . 1 . . . . . 69 GLU N . 53581 1 81 . 1 . 1 45 45 ILE H H 1 7.415334287 . . 1 . . . . . 70 ILE H . 53581 1 82 . 1 . 1 45 45 ILE N N 15 120.2505725 . . 1 . . . . . 70 ILE N . 53581 1 83 . 1 . 1 46 46 ALA H H 1 8.267620795 . . 1 . . . . . 71 ALA H . 53581 1 84 . 1 . 1 46 46 ALA N N 15 123.5689579 . . 1 . . . . . 71 ALA N . 53581 1 85 . 1 . 1 47 47 GLU H H 1 7.799972364 . . 1 . . . . . 72 GLU H . 53581 1 86 . 1 . 1 47 47 GLU N N 15 119.9910244 . . 1 . . . . . 72 GLU N . 53581 1 87 . 1 . 1 48 48 ALA H H 1 7.394096386 . . 1 . . . . . 73 ALA H . 53581 1 88 . 1 . 1 48 48 ALA N N 15 122.8649928 . . 1 . . . . . 73 ALA N . 53581 1 89 . 1 . 1 49 49 TYR H H 1 8.217 . . 1 . . . . . 74 TYR H . 53581 1 90 . 1 . 1 49 49 TYR N N 15 118.202 . . 1 . . . . . 74 TYR N . 53581 1 91 . 1 . 1 50 50 GLU H H 1 8.310397735 . . 1 . . . . . 75 GLU H . 53581 1 92 . 1 . 1 50 50 GLU N N 15 122.1286712 . . 1 . . . . . 75 GLU N . 53581 1 93 . 1 . 1 51 51 THR H H 1 6.532088465 . . 1 . . . . . 76 THR H . 53581 1 94 . 1 . 1 51 51 THR N N 15 112.9652922 . . 1 . . . . . 76 THR N . 53581 1 95 . 1 . 1 52 52 LEU H H 1 7.421393497 . . 1 . . . . . 77 LEU H . 53581 1 96 . 1 . 1 52 52 LEU N N 15 113.9571886 . . 1 . . . . . 77 LEU N . 53581 1 97 . 1 . 1 53 53 SER H H 1 7.627465906 . . 1 . . . . . 78 SER H . 53581 1 98 . 1 . 1 53 53 SER N N 15 109.541911 . . 1 . . . . . 78 SER N . 53581 1 99 . 1 . 1 54 54 ASP H H 1 6.62358295 . . 1 . . . . . 79 ASP H . 53581 1 100 . 1 . 1 54 54 ASP N N 15 124.4723424 . . 1 . . . . . 79 ASP N . 53581 1 101 . 1 . 1 55 55 ALA H H 1 8.787194043 . . 1 . . . . . 80 ALA H . 53581 1 102 . 1 . 1 55 55 ALA N N 15 128.6736693 . . 1 . . . . . 80 ALA N . 53581 1 103 . 1 . 1 56 56 ASN H H 1 8.028895766 . . 1 . . . . . 81 ASN H . 53581 1 104 . 1 . 1 56 56 ASN N N 15 115.986241 . . 1 . . . . . 81 ASN N . 53581 1 105 . 1 . 1 57 57 ARG H H 1 8.489808862 . . 1 . . . . . 82 ARG H . 53581 1 106 . 1 . 1 57 57 ARG N N 15 124.1388277 . . 1 . . . . . 82 ARG N . 53581 1 107 . 1 . 1 58 58 ARG H H 1 9.194734321 . . 1 . . . . . 83 ARG H . 53581 1 108 . 1 . 1 58 58 ARG N N 15 121.9616019 . . 1 . . . . . 83 ARG N . 53581 1 109 . 1 . 1 59 59 LYS H H 1 7.362801217 . . 1 . . . . . 84 LYS H . 53581 1 110 . 1 . 1 59 59 LYS N N 15 118.2635113 . . 1 . . . . . 84 LYS N . 53581 1 111 . 1 . 1 60 60 GLU H H 1 7.500343977 . . 1 . . . . . 85 GLU H . 53581 1 112 . 1 . 1 60 60 GLU N N 15 122.0685437 . . 1 . . . . . 85 GLU N . 53581 1 113 . 1 . 1 61 61 TYR H H 1 8.534312735 . . 1 . . . . . 86 TYR H . 53581 1 114 . 1 . 1 61 61 TYR N N 15 123.3899921 . . 1 . . . . . 86 TYR N . 53581 1 115 . 1 . 1 62 62 ASP H H 1 8.90340835 . . 1 . . . . . 87 ASP H . 53581 1 116 . 1 . 1 62 62 ASP N N 15 119.779703 . . 1 . . . . . 87 ASP N . 53581 1 117 . 1 . 1 63 63 THR H H 1 7.851596863 . . 1 . . . . . 88 THR H . 53581 1 118 . 1 . 1 63 63 THR N N 15 116.0763231 . . 1 . . . . . 88 THR N . 53581 1 119 . 1 . 1 64 64 LEU H H 1 8.383533355 . . 1 . . . . . 89 LEU H . 53581 1 120 . 1 . 1 64 64 LEU N N 15 121.657178 . . 1 . . . . . 89 LEU N . 53581 1 121 . 1 . 1 65 65 GLY H H 1 7.619044887 . . 1 . . . . . 90 GLY H . 53581 1 122 . 1 . 1 65 65 GLY N N 15 107.8955921 . . 1 . . . . . 90 GLY N . 53581 1 123 . 1 . 1 66 66 HIS H H 1 8.035250533 . . 1 . . . . . 91 HIS H . 53581 1 124 . 1 . 1 66 66 HIS N N 15 118.9152815 . . 1 . . . . . 91 HIS N . 53581 1 125 . 1 . 1 68 68 ALA H H 1 8.592149289 . . 1 . . . . . 93 ALA H . 53581 1 126 . 1 . 1 68 68 ALA N N 15 124.6810192 . . 1 . . . . . 93 ALA N . 53581 1 127 . 1 . 1 69 69 PHE H H 1 8.296762967 . . 1 . . . . . 94 PHE H . 53581 1 128 . 1 . 1 69 69 PHE N N 15 118.798385 . . 1 . . . . . 94 PHE N . 53581 1 129 . 1 . 1 70 70 THR H H 1 7.938241505 . . 1 . . . . . 95 THR H . 53581 1 130 . 1 . 1 70 70 THR N N 15 109.3253004 . . 1 . . . . . 95 THR N . 53581 1 131 . 1 . 1 71 71 SER H H 1 7.659822968 . . 1 . . . . . 96 SER H . 53581 1 132 . 1 . 1 71 71 SER N N 15 117.9148275 . . 1 . . . . . 96 SER N . 53581 1 133 . 1 . 1 72 72 GLY H H 1 7.800552987 . . 1 . . . . . 97 GLY H . 53581 1 134 . 1 . 1 72 72 GLY N N 15 110.292505 . . 1 . . . . . 97 GLY N . 53581 1 135 . 1 . 1 73 73 LYS H H 1 7.670334367 . . 1 . . . . . 98 LYS H . 53581 1 136 . 1 . 1 73 73 LYS N N 15 120.8349958 . . 1 . . . . . 98 LYS N . 53581 1 137 . 1 . 1 74 74 GLY H H 1 8.199300715 . . 1 . . . . . 99 GLY H . 53581 1 138 . 1 . 1 74 74 GLY N N 15 109.6000124 . . 1 . . . . . 99 GLY N . 53581 1 139 . 1 . 1 75 75 GLN H H 1 8.017436334 . . 1 . . . . . 100 GLN H . 53581 1 140 . 1 . 1 75 75 GLN N N 15 120.3786712 . . 1 . . . . . 100 GLN N . 53581 1 141 . 1 . 1 76 76 ARG H H 1 8.203332735 . . 1 . . . . . 101 ARG H . 53581 1 142 . 1 . 1 76 76 ARG N N 15 122.3717279 . . 1 . . . . . 101 ARG N . 53581 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 53581 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'ERdj4 TD amide backbone assignment' _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 2 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2 _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' . . . 53581 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 . . 53581 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 1 1 LYS H H 1 8.22796 . . 1 . . . . . 201 LYS H . 53581 2 2 . 2 . 2 1 1 LYS N N 15 122.8379 . . 1 . . . . . 201 LYS N . 53581 2 3 . 2 . 2 2 2 HIS H H 1 8.42787 . . 1 . . . . . 202 HIS H . 53581 2 4 . 2 . 2 2 2 HIS N N 15 120.36402 . . 1 . . . . . 202 HIS N . 53581 2 5 . 2 . 2 3 3 CYS H H 1 8.28356 . . 1 . . . . . 203 CYS H . 53581 2 6 . 2 . 2 3 3 CYS N N 15 120.48194 . . 1 . . . . . 203 CYS N . 53581 2 7 . 2 . 2 4 4 ARG H H 1 8.58992 . . 1 . . . . . 204 ARG H . 53581 2 8 . 2 . 2 4 4 ARG N N 15 121.64779 . . 1 . . . . . 204 ARG N . 53581 2 9 . 2 . 2 5 5 THR H H 1 8.57601 . . 1 . . . . . 205 THR H . 53581 2 10 . 2 . 2 5 5 THR N N 15 119.04313 . . 1 . . . . . 205 THR N . 53581 2 11 . 2 . 2 6 6 VAL H H 1 8.92383 . . 1 . . . . . 206 VAL H . 53581 2 12 . 2 . 2 6 6 VAL N N 15 128.0467 . . 1 . . . . . 206 VAL N . 53581 2 13 . 2 . 2 7 7 THR H H 1 8.28044 . . 1 . . . . . 207 THR H . 53581 2 14 . 2 . 2 7 7 THR N N 15 119.73011 . . 1 . . . . . 207 THR N . 53581 2 15 . 2 . 2 8 8 GLN H H 1 8.96738 . . 1 . . . . . 208 GLN H . 53581 2 16 . 2 . 2 8 8 GLN N N 15 125.09936 . . 1 . . . . . 208 GLN N . 53581 2 17 . 2 . 2 9 9 ARG H H 1 8.70838 . . 1 . . . . . 209 ARG H . 53581 2 18 . 2 . 2 9 9 ARG N N 15 124.93877 . . 1 . . . . . 209 ARG N . 53581 2 19 . 2 . 2 10 10 ARG H H 1 8.53779 . . 1 . . . . . 210 ARG H . 53581 2 20 . 2 . 2 10 10 ARG N N 15 126.64125 . . 1 . . . . . 210 ARG N . 53581 2 21 . 2 . 2 11 11 GLY H H 1 8.91886 . . 1 . . . . . 211 GLY H . 53581 2 22 . 2 . 2 11 11 GLY N N 15 115.98086 . . 1 . . . . . 211 GLY N . 53581 2 23 . 2 . 2 12 12 ASN H H 1 8.75171 . . 1 . . . . . 212 ASN H . 53581 2 24 . 2 . 2 12 12 ASN N N 15 123.31767 . . 1 . . . . . 212 ASN N . 53581 2 25 . 2 . 2 13 13 MET H H 1 7.97142 . . 1 . . . . . 213 MET H . 53581 2 26 . 2 . 2 13 13 MET N N 15 119.78054 . . 1 . . . . . 213 MET N . 53581 2 27 . 2 . 2 14 14 VAL H H 1 8.48599 . . 1 . . . . . 214 VAL H . 53581 2 28 . 2 . 2 14 14 VAL N N 15 124.65516 . . 1 . . . . . 214 VAL N . 53581 2 29 . 2 . 2 15 15 THR H H 1 8.69255 . . 1 . . . . . 215 THR H . 53581 2 30 . 2 . 2 15 15 THR N N 15 121.45565 . . 1 . . . . . 215 THR N . 53581 2 31 . 2 . 2 16 16 THR H H 1 8.33435 . . 1 . . . . . 216 THR H . 53581 2 32 . 2 . 2 16 16 THR N N 15 117.35793 . . 1 . . . . . 216 THR N . 53581 2 33 . 2 . 2 17 17 TYR H H 1 8.77044 . . 1 . . . . . 217 TYR H . 53581 2 34 . 2 . 2 17 17 TYR N N 15 122.44109 . . 1 . . . . . 217 TYR N . 53581 2 35 . 2 . 2 18 18 THR H H 1 8.50656 . . 1 . . . . . 218 THR H . 53581 2 36 . 2 . 2 18 18 THR N N 15 117.07299 . . 1 . . . . . 218 THR N . 53581 2 37 . 2 . 2 19 19 ASP H H 1 8.9387 . . 1 . . . . . 219 ASP H . 53581 2 38 . 2 . 2 19 19 ASP N N 15 126.70637 . . 1 . . . . . 219 ASP N . 53581 2 39 . 2 . 2 20 20 CYS H H 1 8.94674 . . 1 . . . . . 220 CYS H . 53581 2 40 . 2 . 2 20 20 CYS N N 15 124.57872 . . 1 . . . . . 220 CYS N . 53581 2 41 . 2 . 2 21 21 SER H H 1 8.51751 . . 1 . . . . . 221 SER H . 53581 2 42 . 2 . 2 21 21 SER N N 15 117.9187 . . 1 . . . . . 221 SER N . 53581 2 43 . 2 . 2 22 22 GLY H H 1 8.1361 . . 1 . . . . . 222 GLY H . 53581 2 44 . 2 . 2 22 22 GLY N N 15 116.56515 . . 1 . . . . . 222 GLY N . 53581 2 stop_ save_