################################### # 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_Assignment_288K_6.58pH _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_288K_6.58pH _Assigned_chem_shift_list.Entry_ID 26636 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $288K-6.58pH _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'Maximum deviation taken from repeated manual peak picking on the same spectrum.' _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' . . . 26636 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 $CARA . . 26636 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 4 4 GLU H H 1 8.696 0.01 . 1 . . . . . 4 GLU H . 26636 1 2 . 1 . 1 4 4 GLU N N 15 123.591 0.03 . 1 . . . . . 4 GLU N . 26636 1 3 . 1 . 1 5 5 ILE H H 1 8.455 0.01 . 1 . . . . . 5 ILE H . 26636 1 4 . 1 . 1 5 5 ILE N N 15 124.176 0.03 . 1 . . . . . 5 ILE N . 26636 1 5 . 1 . 1 6 6 LYS H H 1 8.545 0.01 . 1 . . . . . 6 LYS H . 26636 1 6 . 1 . 1 6 6 LYS N N 15 126.686 0.03 . 1 . . . . . 6 LYS N . 26636 1 7 . 1 . 1 7 7 ASN H H 1 8.568 0.01 . 1 . . . . . 7 ASN H . 26636 1 8 . 1 . 1 7 7 ASN N N 15 120.921 0.03 . 1 . . . . . 7 ASN N . 26636 1 9 . 1 . 1 10 10 GLU H H 1 8.621 0.01 . 1 . . . . . 10 GLU H . 26636 1 10 . 1 . 1 10 10 GLU N N 15 121.362 0.03 . 1 . . . . . 10 GLU N . 26636 1 11 . 1 . 1 11 11 GLN H H 1 8.447 0.01 . 1 . . . . . 11 GLN H . 26636 1 12 . 1 . 1 11 11 GLN N N 15 121.164 0.03 . 1 . . . . . 11 GLN N . 26636 1 13 . 1 . 1 12 12 GLU H H 1 8.511 0.01 . 1 . . . . . 12 GLU H . 26636 1 14 . 1 . 1 12 12 GLU N N 15 123.174 0.03 . 1 . . . . . 12 GLU N . 26636 1 15 . 1 . 1 13 13 VAL H H 1 8.348 0.01 . 1 . . . . . 13 VAL H . 26636 1 16 . 1 . 1 13 13 VAL N N 15 124.153 0.03 . 1 . . . . . 13 VAL N . 26636 1 17 . 1 . 1 15 15 LYS H H 1 8.518 0.01 . 1 . . . . . 15 LYS H . 26636 1 18 . 1 . 1 15 15 LYS N N 15 122.819 0.03 . 1 . . . . . 15 LYS N . 26636 1 19 . 1 . 1 17 17 ALA H H 1 8.568 0.01 . 1 . . . . . 17 ALA H . 26636 1 20 . 1 . 1 17 17 ALA N N 15 128.866 0.03 . 1 . . . . . 17 ALA N . 26636 1 21 . 1 . 1 18 18 THR H H 1 8.239 0.01 . 1 . . . . . 18 THR H . 26636 1 22 . 1 . 1 18 18 THR N N 15 114.249 0.03 . 1 . . . . . 18 THR N . 26636 1 23 . 1 . 1 19 19 GLU H H 1 8.563 0.01 . 1 . . . . . 19 GLU H . 26636 1 24 . 1 . 1 19 19 GLU N N 15 123.389 0.03 . 1 . . . . . 19 GLU N . 26636 1 25 . 1 . 1 20 20 GLU H H 1 8.563 0.01 . 1 . . . . . 20 GLU H . 26636 1 26 . 1 . 1 20 20 GLU N N 15 122.576 0.03 . 1 . . . . . 20 GLU N . 26636 1 27 . 1 . 1 21 21 SER H H 1 8.483 0.01 . 1 . . . . . 21 SER H . 26636 1 28 . 1 . 1 21 21 SER N N 15 117.401 0.03 . 1 . . . . . 21 SER N . 26636 1 29 . 1 . 1 22 22 SER H H 1 8.462 0.01 . 1 . . . . . 22 SER H . 26636 1 30 . 1 . 1 22 22 SER N N 15 118.379 0.03 . 1 . . . . . 22 SER N . 26636 1 31 . 1 . 1 23 23 ALA H H 1 8.365 0.01 . 1 . . . . . 23 ALA H . 26636 1 32 . 1 . 1 23 23 ALA N N 15 126.174 0.03 . 1 . . . . . 23 ALA N . 26636 1 33 . 1 . 1 24 24 GLU H H 1 8.366 0.01 . 1 . . . . . 24 GLU H . 26636 1 34 . 1 . 1 24 24 GLU N N 15 120.224 0.03 . 1 . . . . . 24 GLU N . 26636 1 35 . 1 . 1 25 25 VAL H H 1 8.284 0.01 . 1 . . . . . 25 VAL H . 26636 1 36 . 1 . 1 25 25 VAL N N 15 121.908 0.03 . 1 . . . . . 25 VAL N . 26636 1 37 . 1 . 1 26 26 THR H H 1 8.302 0.01 . 1 . . . . . 26 THR H . 26636 1 38 . 1 . 1 26 26 THR N N 15 118.143 0.03 . 1 . . . . . 26 THR N . 26636 1 39 . 1 . 1 27 27 ASP H H 1 8.394 0.01 . 1 . . . . . 27 ASP H . 26636 1 40 . 1 . 1 27 27 ASP N N 15 123.052 0.03 . 1 . . . . . 27 ASP N . 26636 1 41 . 1 . 1 28 28 ARG H H 1 8.416 0.01 . 1 . . . . . 28 ARG H . 26636 1 42 . 1 . 1 28 28 ARG N N 15 122.271 0.03 . 1 . . . . . 28 ARG N . 26636 1 43 . 1 . 1 29 29 GLY H H 1 8.539 0.01 . 1 . . . . . 29 GLY H . 26636 1 44 . 1 . 1 29 29 GLY N N 15 109.251 0.03 . 1 . . . . . 29 GLY N . 26636 1 45 . 1 . 1 30 30 LEU H H 1 7.985 0.01 . 1 . . . . . 30 LEU H . 26636 1 46 . 1 . 1 30 30 LEU N N 15 121.161 0.03 . 1 . . . . . 30 LEU N . 26636 1 47 . 1 . 1 31 31 PHE H H 1 8.161 0.01 . 1 . . . . . 31 PHE H . 26636 1 48 . 1 . 1 31 31 PHE N N 15 119.434 0.03 . 1 . . . . . 31 PHE N . 26636 1 49 . 1 . 1 32 32 ASP H H 1 8.203 0.01 . 1 . . . . . 32 ASP H . 26636 1 50 . 1 . 1 32 32 ASP N N 15 121.561 0.03 . 1 . . . . . 32 ASP N . 26636 1 51 . 1 . 1 33 33 PHE H H 1 8.12 0.01 . 1 . . . . . 33 PHE H . 26636 1 52 . 1 . 1 33 33 PHE N N 15 120.32 0.03 . 1 . . . . . 33 PHE N . 26636 1 53 . 1 . 1 35 35 GLY H H 1 8.056 0.01 . 1 . . . . . 35 GLY H . 26636 1 54 . 1 . 1 35 35 GLY N N 15 108.947 0.03 . 1 . . . . . 35 GLY N . 26636 1 55 . 1 . 1 36 36 LYS H H 1 8.086 0.01 . 1 . . . . . 36 LYS H . 26636 1 56 . 1 . 1 36 36 LYS N N 15 121.074 0.03 . 1 . . . . . 36 LYS N . 26636 1 57 . 1 . 1 37 37 LYS H H 1 8.502 0.01 . 1 . . . . . 37 LYS H . 26636 1 58 . 1 . 1 37 37 LYS N N 15 123.452 0.03 . 1 . . . . . 37 LYS N . 26636 1 59 . 1 . 1 38 38 LYS H H 1 8.479 0.01 . 1 . . . . . 38 LYS H . 26636 1 60 . 1 . 1 38 38 LYS N N 15 123.639 0.03 . 1 . . . . . 38 LYS N . 26636 1 61 . 1 . 1 39 39 ASP H H 1 8.469 0.01 . 1 . . . . . 39 ASP H . 26636 1 62 . 1 . 1 39 39 ASP N N 15 122.103 0.03 . 1 . . . . . 39 ASP N . 26636 1 63 . 1 . 1 41 41 THR H H 1 8.375 0.01 . 1 . . . . . 41 THR H . 26636 1 64 . 1 . 1 41 41 THR N N 15 116.092 0.03 . 1 . . . . . 41 THR N . 26636 1 65 . 1 . 1 44 44 GLU H H 1 8.685 0.01 . 1 . . . . . 44 GLU H . 26636 1 66 . 1 . 1 44 44 GLU N N 15 121.292 0.03 . 1 . . . . . 44 GLU N . 26636 1 67 . 1 . 1 45 45 GLU H H 1 8.478 0.01 . 1 . . . . . 45 GLU H . 26636 1 68 . 1 . 1 45 45 GLU N N 15 122.555 0.03 . 1 . . . . . 45 GLU N . 26636 1 69 . 1 . 1 46 46 THR H H 1 8.385 0.01 . 1 . . . . . 46 THR H . 26636 1 70 . 1 . 1 46 46 THR N N 15 119.281 0.03 . 1 . . . . . 46 THR N . 26636 1 71 . 1 . 1 48 48 ILE H H 1 8.368 0.01 . 1 . . . . . 48 ILE H . 26636 1 72 . 1 . 1 48 48 ILE N N 15 122.145 0.03 . 1 . . . . . 48 ILE N . 26636 1 73 . 1 . 1 49 49 ALA H H 1 8.493 0.01 . 1 . . . . . 49 ALA H . 26636 1 74 . 1 . 1 49 49 ALA N N 15 129.042 0.03 . 1 . . . . . 49 ALA N . 26636 1 75 . 1 . 1 50 50 SER H H 1 8.402 0.01 . 1 . . . . . 50 SER H . 26636 1 76 . 1 . 1 50 50 SER N N 15 115.9 0.03 . 1 . . . . . 50 SER N . 26636 1 77 . 1 . 1 51 51 GLU H H 1 8.58 0.01 . 1 . . . . . 51 GLU H . 26636 1 78 . 1 . 1 51 51 GLU N N 15 122.893 0.03 . 1 . . . . . 51 GLU N . 26636 1 79 . 1 . 1 52 52 PHE H H 1 8.169 0.01 . 1 . . . . . 52 PHE H . 26636 1 80 . 1 . 1 52 52 PHE N N 15 120.061 0.03 . 1 . . . . . 52 PHE N . 26636 1 81 . 1 . 1 53 53 GLU H H 1 8.176 0.01 . 1 . . . . . 53 GLU H . 26636 1 82 . 1 . 1 53 53 GLU N N 15 122.248 0.03 . 1 . . . . . 53 GLU N . 26636 1 83 . 1 . 1 54 54 GLN H H 1 8.404 0.01 . 1 . . . . . 54 GLN H . 26636 1 84 . 1 . 1 54 54 GLN N N 15 121.937 0.03 . 1 . . . . . 54 GLN N . 26636 1 85 . 1 . 1 56 56 VAL H H 1 8.174 0.01 . 1 . . . . . 56 VAL H . 26636 1 86 . 1 . 1 56 56 VAL N N 15 121.578 0.03 . 1 . . . . . 56 VAL N . 26636 1 87 . 1 . 1 57 57 HIS H H 1 8.643 0.01 . 1 . . . . . 57 HIS H . 26636 1 88 . 1 . 1 57 57 HIS N N 15 124.077 0.03 . 1 . . . . . 57 HIS N . 26636 1 89 . 1 . 1 58 58 ILE H H 1 8.327 0.01 . 1 . . . . . 58 ILE H . 26636 1 90 . 1 . 1 58 58 ILE N N 15 124.502 0.03 . 1 . . . . . 58 ILE N . 26636 1 91 . 1 . 1 59 59 SER H H 1 8.495 0.01 . 1 . . . . . 59 SER H . 26636 1 92 . 1 . 1 59 59 SER N N 15 120.86 0.03 . 1 . . . . . 59 SER N . 26636 1 93 . 1 . 1 60 60 GLU H H 1 8.489 0.01 . 1 . . . . . 60 GLU H . 26636 1 94 . 1 . 1 60 60 GLU N N 15 124.598 0.03 . 1 . . . . . 60 GLU N . 26636 1 95 . 1 . 1 62 62 GLU H H 1 8.591 0.01 . 1 . . . . . 62 GLU H . 26636 1 96 . 1 . 1 62 62 GLU N N 15 122.945 0.03 . 1 . . . . . 62 GLU N . 26636 1 97 . 1 . 1 64 64 GLU H H 1 8.564 0.01 . 1 . . . . . 64 GLU H . 26636 1 98 . 1 . 1 64 64 GLU N N 15 121.845 0.03 . 1 . . . . . 64 GLU N . 26636 1 99 . 1 . 1 66 66 LYS H H 1 8.477 0.01 . 1 . . . . . 66 LYS H . 26636 1 100 . 1 . 1 66 66 LYS N N 15 125.982 0.03 . 1 . . . . . 66 LYS N . 26636 1 101 . 1 . 1 67 67 HIS H H 1 8.635 0.01 . 1 . . . . . 67 HIS H . 26636 1 102 . 1 . 1 67 67 HIS N N 15 121.679 0.03 . 1 . . . . . 67 HIS N . 26636 1 103 . 1 . 1 68 68 GLU H H 1 8.669 0.01 . 1 . . . . . 68 GLU H . 26636 1 104 . 1 . 1 68 68 GLU N N 15 123.055 0.03 . 1 . . . . . 68 GLU N . 26636 1 105 . 1 . 1 69 69 SER H H 1 8.627 0.01 . 1 . . . . . 69 SER H . 26636 1 106 . 1 . 1 69 69 SER N N 15 118.04 0.03 . 1 . . . . . 69 SER N . 26636 1 107 . 1 . 1 70 70 LEU H H 1 8.45 0.01 . 1 . . . . . 70 LEU H . 26636 1 108 . 1 . 1 70 70 LEU N N 15 124.355 0.03 . 1 . . . . . 70 LEU N . 26636 1 109 . 1 . 1 71 71 LEU H H 1 8.108 0.01 . 1 . . . . . 71 LEU H . 26636 1 110 . 1 . 1 71 71 LEU N N 15 121.135 0.03 . 1 . . . . . 71 LEU N . 26636 1 111 . 1 . 1 72 72 GLU H H 1 8.146 0.01 . 1 . . . . . 72 GLU H . 26636 1 112 . 1 . 1 72 72 GLU N N 15 120.886 0.03 . 1 . . . . . 72 GLU N . 26636 1 113 . 1 . 1 73 73 LYS H H 1 8.2 0.01 . 1 . . . . . 73 LYS H . 26636 1 114 . 1 . 1 73 73 LYS N N 15 121.599 0.03 . 1 . . . . . 73 LYS N . 26636 1 115 . 1 . 1 74 74 LEU H H 1 8.13 0.01 . 1 . . . . . 74 LEU H . 26636 1 116 . 1 . 1 74 74 LEU N N 15 121.905 0.03 . 1 . . . . . 74 LEU N . 26636 1 117 . 1 . 1 75 75 HIS H H 1 8.363 0.01 . 1 . . . . . 75 HIS H . 26636 1 118 . 1 . 1 75 75 HIS N N 15 119.383 0.03 . 1 . . . . . 75 HIS N . 26636 1 119 . 1 . 1 76 76 ARG H H 1 8.375 0.01 . 1 . . . . . 76 ARG H . 26636 1 120 . 1 . 1 76 76 ARG N N 15 122.775 0.03 . 1 . . . . . 76 ARG N . 26636 1 121 . 1 . 1 77 77 SER H H 1 8.545 0.01 . 1 . . . . . 77 SER H . 26636 1 122 . 1 . 1 77 77 SER N N 15 117.318 0.03 . 1 . . . . . 77 SER N . 26636 1 123 . 1 . 1 78 78 ASP H H 1 8.454 0.01 . 1 . . . . . 78 ASP H . 26636 1 124 . 1 . 1 78 78 ASP N N 15 122.59 0.03 . 1 . . . . . 78 ASP N . 26636 1 125 . 1 . 1 79 79 SER H H 1 8.378 0.01 . 1 . . . . . 79 SER H . 26636 1 126 . 1 . 1 79 79 SER N N 15 116.442 0.03 . 1 . . . . . 79 SER N . 26636 1 127 . 1 . 1 80 80 SER H H 1 8.482 0.01 . 1 . . . . . 80 SER H . 26636 1 128 . 1 . 1 80 80 SER N N 15 118.195 0.03 . 1 . . . . . 80 SER N . 26636 1 129 . 1 . 1 81 81 SER H H 1 8.403 0.01 . 1 . . . . . 81 SER H . 26636 1 130 . 1 . 1 81 81 SER N N 15 117.845 0.03 . 1 . . . . . 81 SER N . 26636 1 131 . 1 . 1 82 82 SER H H 1 8.44 0.01 . 1 . . . . . 82 SER H . 26636 1 132 . 1 . 1 82 82 SER N N 15 118.055 0.03 . 1 . . . . . 82 SER N . 26636 1 133 . 1 . 1 83 83 SER H H 1 8.466 0.01 . 1 . . . . . 83 SER H . 26636 1 134 . 1 . 1 83 83 SER N N 15 118.155 0.03 . 1 . . . . . 83 SER N . 26636 1 135 . 1 . 1 84 84 SER H H 1 8.462 0.01 . 1 . . . . . 84 SER H . 26636 1 136 . 1 . 1 84 84 SER N N 15 118.14 0.03 . 1 . . . . . 84 SER N . 26636 1 137 . 1 . 1 85 85 SER H H 1 8.462 0.01 . 1 . . . . . 85 SER H . 26636 1 138 . 1 . 1 85 85 SER N N 15 118.159 0.03 . 1 . . . . . 85 SER N . 26636 1 139 . 1 . 1 86 86 GLU H H 1 8.491 0.01 . 1 . . . . . 86 GLU H . 26636 1 140 . 1 . 1 86 86 GLU N N 15 122.679 0.03 . 1 . . . . . 86 GLU N . 26636 1 141 . 1 . 1 87 87 GLU H H 1 8.412 0.01 . 1 . . . . . 87 GLU H . 26636 1 142 . 1 . 1 87 87 GLU N N 15 121.455 0.03 . 1 . . . . . 87 GLU N . 26636 1 143 . 1 . 1 89 89 GLY H H 1 8.548 0.01 . 1 . . . . . 89 GLY H . 26636 1 144 . 1 . 1 89 89 GLY N N 15 110.238 0.03 . 1 . . . . . 89 GLY N . 26636 1 145 . 1 . 1 90 90 SER H H 1 8.391 0.01 . 1 . . . . . 90 SER H . 26636 1 146 . 1 . 1 90 90 SER N N 15 116.012 0.03 . 1 . . . . . 90 SER N . 26636 1 147 . 1 . 1 91 91 ASP H H 1 8.614 0.01 . 1 . . . . . 91 ASP H . 26636 1 148 . 1 . 1 91 91 ASP N N 15 122.129 0.03 . 1 . . . . . 91 ASP N . 26636 1 149 . 1 . 1 92 92 GLY H H 1 8.423 0.01 . 1 . . . . . 92 GLY H . 26636 1 150 . 1 . 1 92 92 GLY N N 15 108.996 0.03 . 1 . . . . . 92 GLY N . 26636 1 151 . 1 . 1 94 94 LYS H H 1 8.335 0.01 . 1 . . . . . 94 LYS H . 26636 1 152 . 1 . 1 94 94 LYS N N 15 121.723 0.03 . 1 . . . . . 94 LYS N . 26636 1 153 . 1 . 1 96 96 LYS H H 1 8.257 0.01 . 1 . . . . . 96 LYS H . 26636 1 154 . 1 . 1 96 96 LYS N N 15 122.355 0.03 . 1 . . . . . 96 LYS N . 26636 1 155 . 1 . 1 100 100 GLU H H 1 8.483 0.01 . 1 . . . . . 100 GLU H . 26636 1 156 . 1 . 1 100 100 GLU N N 15 123.254 0.03 . 1 . . . . . 100 GLU N . 26636 1 157 . 1 . 1 102 102 LYS H H 1 8.472 0.01 . 1 . . . . . 102 LYS H . 26636 1 158 . 1 . 1 102 102 LYS N N 15 123.933 0.03 . 1 . . . . . 102 LYS N . 26636 1 159 . 1 . 1 103 103 LYS H H 1 8.534 0.01 . 1 . . . . . 103 LYS H . 26636 1 160 . 1 . 1 103 103 LYS N N 15 125.34 0.03 . 1 . . . . . 103 LYS N . 26636 1 161 . 1 . 1 105 105 THR H H 1 8.46 0.01 . 1 . . . . . 105 THR H . 26636 1 162 . 1 . 1 105 105 THR N N 15 115.237 0.03 . 1 . . . . . 105 THR N . 26636 1 163 . 1 . 1 106 106 THR H H 1 8.186 0.01 . 1 . . . . . 106 THR H . 26636 1 164 . 1 . 1 106 106 THR N N 15 116.03 0.03 . 1 . . . . . 106 THR N . 26636 1 165 . 1 . 1 108 108 VAL H H 1 8.219 0.01 . 1 . . . . . 108 VAL H . 26636 1 166 . 1 . 1 108 108 VAL N N 15 121.395 0.03 . 1 . . . . . 108 VAL N . 26636 1 167 . 1 . 1 109 109 GLU H H 1 8.473 0.01 . 1 . . . . . 109 GLU H . 26636 1 168 . 1 . 1 109 109 GLU N N 15 125.384 0.03 . 1 . . . . . 109 GLU N . 26636 1 169 . 1 . 1 110 110 VAL H H 1 8.387 0.01 . 1 . . . . . 110 VAL H . 26636 1 170 . 1 . 1 110 110 VAL N N 15 123.683 0.03 . 1 . . . . . 110 VAL N . 26636 1 171 . 1 . 1 111 111 LYS H H 1 8.527 0.01 . 1 . . . . . 111 LYS H . 26636 1 172 . 1 . 1 111 111 LYS N N 15 126.075 0.03 . 1 . . . . . 111 LYS N . 26636 1 173 . 1 . 1 112 112 GLU H H 1 8.583 0.01 . 1 . . . . . 112 GLU H . 26636 1 174 . 1 . 1 112 112 GLU N N 15 123.187 0.03 . 1 . . . . . 112 GLU N . 26636 1 175 . 1 . 1 113 113 GLU H H 1 8.669 0.01 . 1 . . . . . 113 GLU H . 26636 1 176 . 1 . 1 113 113 GLU N N 15 121.602 0.03 . 1 . . . . . 113 GLU N . 26636 1 177 . 1 . 1 114 114 GLU H H 1 8.385 0.01 . 1 . . . . . 114 GLU H . 26636 1 178 . 1 . 1 114 114 GLU N N 15 121.994 0.03 . 1 . . . . . 114 GLU N . 26636 1 179 . 1 . 1 115 115 LYS H H 1 8.285 0.01 . 1 . . . . . 115 LYS H . 26636 1 180 . 1 . 1 115 115 LYS N N 15 122.511 0.03 . 1 . . . . . 115 LYS N . 26636 1 181 . 1 . 1 116 116 LYS H H 1 8.347 0.01 . 1 . . . . . 116 LYS H . 26636 1 182 . 1 . 1 116 116 LYS N N 15 122.338 0.03 . 1 . . . . . 116 LYS N . 26636 1 183 . 1 . 1 117 117 GLY H H 1 8.492 0.01 . 1 . . . . . 117 GLY H . 26636 1 184 . 1 . 1 117 117 GLY N N 15 109.796 0.03 . 1 . . . . . 117 GLY N . 26636 1 185 . 1 . 1 118 118 PHE H H 1 8.128 0.01 . 1 . . . . . 118 PHE H . 26636 1 186 . 1 . 1 118 118 PHE N N 15 120.595 0.03 . 1 . . . . . 118 PHE N . 26636 1 187 . 1 . 1 119 119 MET H H 1 8.286 0.01 . 1 . . . . . 119 MET H . 26636 1 188 . 1 . 1 119 119 MET N N 15 121.471 0.03 . 1 . . . . . 119 MET N . 26636 1 189 . 1 . 1 120 120 GLU H H 1 8.299 0.01 . 1 . . . . . 120 GLU H . 26636 1 190 . 1 . 1 120 120 GLU N N 15 122 0.03 . 1 . . . . . 120 GLU N . 26636 1 191 . 1 . 1 121 121 LYS H H 1 8.252 0.01 . 1 . . . . . 121 LYS H . 26636 1 192 . 1 . 1 121 121 LYS N N 15 121.96 0.03 . 1 . . . . . 121 LYS N . 26636 1 193 . 1 . 1 122 122 LEU H H 1 8.139 0.01 . 1 . . . . . 122 LEU H . 26636 1 194 . 1 . 1 122 122 LEU N N 15 122.774 0.03 . 1 . . . . . 122 LEU N . 26636 1 195 . 1 . 1 123 123 LYS H H 1 8.204 0.01 . 1 . . . . . 123 LYS H . 26636 1 196 . 1 . 1 123 123 LYS N N 15 121.748 0.03 . 1 . . . . . 123 LYS N . 26636 1 197 . 1 . 1 124 124 GLU H H 1 8.244 0.01 . 1 . . . . . 124 GLU H . 26636 1 198 . 1 . 1 124 124 GLU N N 15 121.574 0.03 . 1 . . . . . 124 GLU N . 26636 1 199 . 1 . 1 125 125 LYS H H 1 8.315 0.01 . 1 . . . . . 125 LYS H . 26636 1 200 . 1 . 1 125 125 LYS N N 15 122.506 0.03 . 1 . . . . . 125 LYS N . 26636 1 201 . 1 . 1 126 126 LEU H H 1 8.338 0.01 . 1 . . . . . 126 LEU H . 26636 1 202 . 1 . 1 126 126 LEU N N 15 125.081 0.03 . 1 . . . . . 126 LEU N . 26636 1 203 . 1 . 1 128 128 GLY H H 1 8.554 0.01 . 1 . . . . . 128 GLY H . 26636 1 204 . 1 . 1 128 128 GLY N N 15 109.304 0.03 . 1 . . . . . 128 GLY N . 26636 1 205 . 1 . 1 129 129 HIS H H 1 8.266 0.01 . 1 . . . . . 129 HIS H . 26636 1 206 . 1 . 1 129 129 HIS N N 15 119.038 0.03 . 1 . . . . . 129 HIS N . 26636 1 207 . 1 . 1 130 130 LYS H H 1 8.411 0.01 . 1 . . . . . 130 LYS H . 26636 1 208 . 1 . 1 130 130 LYS N N 15 123.519 0.03 . 1 . . . . . 130 LYS N . 26636 1 209 . 1 . 1 131 131 LYS H H 1 8.59 0.01 . 1 . . . . . 131 LYS H . 26636 1 210 . 1 . 1 131 131 LYS N N 15 125.298 0.03 . 1 . . . . . 131 LYS N . 26636 1 211 . 1 . 1 133 133 GLU H H 1 8.775 0.01 . 1 . . . . . 133 GLU H . 26636 1 212 . 1 . 1 133 133 GLU N N 15 121.218 0.03 . 1 . . . . . 133 GLU N . 26636 1 213 . 1 . 1 134 134 ASP H H 1 8.366 0.01 . 1 . . . . . 134 ASP H . 26636 1 214 . 1 . 1 134 134 ASP N N 15 121.715 0.03 . 1 . . . . . 134 ASP N . 26636 1 215 . 1 . 1 135 135 GLY H H 1 8.49 0.01 . 1 . . . . . 135 GLY H . 26636 1 216 . 1 . 1 135 135 GLY N N 15 110.145 0.03 . 1 . . . . . 135 GLY N . 26636 1 217 . 1 . 1 136 136 SER H H 1 8.276 0.01 . 1 . . . . . 136 SER H . 26636 1 218 . 1 . 1 136 136 SER N N 15 116.033 0.03 . 1 . . . . . 136 SER N . 26636 1 219 . 1 . 1 137 137 ALA H H 1 8.354 0.01 . 1 . . . . . 137 ALA H . 26636 1 220 . 1 . 1 137 137 ALA N N 15 125.966 0.03 . 1 . . . . . 137 ALA N . 26636 1 221 . 1 . 1 138 138 VAL H H 1 8.094 0.01 . 1 . . . . . 138 VAL H . 26636 1 222 . 1 . 1 138 138 VAL N N 15 119.709 0.03 . 1 . . . . . 138 VAL N . 26636 1 223 . 1 . 1 139 139 ALA H H 1 8.393 0.01 . 1 . . . . . 139 ALA H . 26636 1 224 . 1 . 1 139 139 ALA N N 15 128.473 0.03 . 1 . . . . . 139 ALA N . 26636 1 225 . 1 . 1 140 140 ALA H H 1 8.303 0.01 . 1 . . . . . 140 ALA H . 26636 1 226 . 1 . 1 140 140 ALA N N 15 124.134 0.03 . 1 . . . . . 140 ALA N . 26636 1 227 . 1 . 1 141 141 ALA H H 1 8.314 0.01 . 1 . . . . . 141 ALA H . 26636 1 228 . 1 . 1 141 141 ALA N N 15 125.371 0.03 . 1 . . . . . 141 ALA N . 26636 1 229 . 1 . 1 143 143 VAL H H 1 8.35 0.01 . 1 . . . . . 143 VAL H . 26636 1 230 . 1 . 1 143 143 VAL N N 15 121.805 0.03 . 1 . . . . . 143 VAL N . 26636 1 231 . 1 . 1 144 144 VAL H H 1 8.399 0.01 . 1 . . . . . 144 VAL H . 26636 1 232 . 1 . 1 144 144 VAL N N 15 126.382 0.03 . 1 . . . . . 144 VAL N . 26636 1 233 . 1 . 1 145 145 VAL H H 1 8.482 0.01 . 1 . . . . . 145 VAL H . 26636 1 234 . 1 . 1 145 145 VAL N N 15 128.182 0.03 . 1 . . . . . 145 VAL N . 26636 1 235 . 1 . 1 149 149 VAL H H 1 8.3 0.01 . 1 . . . . . 149 VAL H . 26636 1 236 . 1 . 1 149 149 VAL N N 15 120.998 0.03 . 1 . . . . . 149 VAL N . 26636 1 237 . 1 . 1 150 150 GLU H H 1 8.563 0.01 . 1 . . . . . 150 GLU H . 26636 1 238 . 1 . 1 150 150 GLU N N 15 125.314 0.03 . 1 . . . . . 150 GLU N . 26636 1 239 . 1 . 1 151 151 GLU H H 1 8.491 0.01 . 1 . . . . . 151 GLU H . 26636 1 240 . 1 . 1 151 151 GLU N N 15 123.3 0.03 . 1 . . . . . 151 GLU N . 26636 1 241 . 1 . 1 153 153 HIS H H 1 8.523 0.01 . 1 . . . . . 153 HIS H . 26636 1 242 . 1 . 1 153 153 HIS N N 15 118.919 0.03 . 1 . . . . . 153 HIS N . 26636 1 243 . 1 . 1 155 155 VAL H H 1 8.451 0.01 . 1 . . . . . 155 VAL H . 26636 1 244 . 1 . 1 155 155 VAL N N 15 121.346 0.03 . 1 . . . . . 155 VAL N . 26636 1 245 . 1 . 1 156 156 GLU H H 1 8.595 0.01 . 1 . . . . . 156 GLU H . 26636 1 246 . 1 . 1 156 156 GLU N N 15 125.554 0.03 . 1 . . . . . 156 GLU N . 26636 1 247 . 1 . 1 158 158 LYS H H 1 8.477 0.01 . 1 . . . . . 158 LYS H . 26636 1 248 . 1 . 1 158 158 LYS N N 15 123.197 0.03 . 1 . . . . . 158 LYS N . 26636 1 249 . 1 . 1 159 159 GLY H H 1 8.569 0.01 . 1 . . . . . 159 GLY H . 26636 1 250 . 1 . 1 159 159 GLY N N 15 110.421 0.03 . 1 . . . . . 159 GLY N . 26636 1 251 . 1 . 1 160 160 ILE H H 1 8.067 0.01 . 1 . . . . . 160 ILE H . 26636 1 252 . 1 . 1 160 160 ILE N N 15 120.345 0.03 . 1 . . . . . 160 ILE N . 26636 1 253 . 1 . 1 162 162 GLU H H 1 8.334 0.01 . 1 . . . . . 162 GLU H . 26636 1 254 . 1 . 1 162 162 GLU N N 15 122.143 0.03 . 1 . . . . . 162 GLU N . 26636 1 255 . 1 . 1 163 163 LYS H H 1 8.28 0.01 . 1 . . . . . 163 LYS H . 26636 1 256 . 1 . 1 163 163 LYS N N 15 122.427 0.03 . 1 . . . . . 163 LYS N . 26636 1 257 . 1 . 1 166 166 GLU H H 1 8.331 0.01 . 1 . . . . . 166 GLU H . 26636 1 258 . 1 . 1 166 166 GLU N N 15 121.792 0.03 . 1 . . . . . 166 GLU N . 26636 1 259 . 1 . 1 168 168 LEU H H 1 8.273 0.01 . 1 . . . . . 168 LEU H . 26636 1 260 . 1 . 1 168 168 LEU N N 15 125.023 0.03 . 1 . . . . . 168 LEU N . 26636 1 261 . 1 . 1 170 170 GLY H H 1 8.586 0.01 . 1 . . . . . 170 GLY H . 26636 1 262 . 1 . 1 170 170 GLY N N 15 109.58 0.03 . 1 . . . . . 170 GLY N . 26636 1 263 . 1 . 1 171 171 TYR H H 1 7.98 0.01 . 1 . . . . . 171 TYR H . 26636 1 264 . 1 . 1 171 171 TYR N N 15 120.809 0.03 . 1 . . . . . 171 TYR N . 26636 1 265 . 1 . 1 172 172 HIS H H 1 8.23 0.01 . 1 . . . . . 172 HIS H . 26636 1 266 . 1 . 1 172 172 HIS N N 15 124.547 0.03 . 1 . . . . . 172 HIS N . 26636 1 267 . 1 . 1 174 174 LYS H H 1 8.612 0.01 . 1 . . . . . 174 LYS H . 26636 1 268 . 1 . 1 174 174 LYS N N 15 122.145 0.03 . 1 . . . . . 174 LYS N . 26636 1 269 . 1 . 1 175 175 THR H H 1 8.341 0.01 . 1 . . . . . 175 THR H . 26636 1 270 . 1 . 1 175 175 THR N N 15 116.036 0.03 . 1 . . . . . 175 THR N . 26636 1 271 . 1 . 1 176 176 THR H H 1 8.304 0.01 . 1 . . . . . 176 THR H . 26636 1 272 . 1 . 1 176 176 THR N N 15 117.123 0.03 . 1 . . . . . 176 THR N . 26636 1 273 . 1 . 1 178 178 GLU H H 1 8.535 0.01 . 1 . . . . . 178 GLU H . 26636 1 274 . 1 . 1 178 178 GLU N N 15 124.809 0.03 . 1 . . . . . 178 GLU N . 26636 1 275 . 1 . 1 179 179 GLU H H 1 8.462 0.01 . 1 . . . . . 179 GLU H . 26636 1 276 . 1 . 1 179 179 GLU N N 15 122.467 0.03 . 1 . . . . . 179 GLU N . 26636 1 277 . 1 . 1 180 180 GLU H H 1 8.485 0.01 . 1 . . . . . 180 GLU H . 26636 1 278 . 1 . 1 180 180 GLU N N 15 122.542 0.03 . 1 . . . . . 180 GLU N . 26636 1 279 . 1 . 1 183 183 ASP H H 1 8.439 0.01 . 1 . . . . . 183 ASP H . 26636 1 280 . 1 . 1 183 183 ASP N N 15 121.525 0.03 . 1 . . . . . 183 ASP N . 26636 1 281 . 1 . 1 184 184 LYS H H 1 8.24 0.01 . 1 . . . . . 184 LYS H . 26636 1 282 . 1 . 1 184 184 LYS N N 15 121.185 0.03 . 1 . . . . . 184 LYS N . 26636 1 283 . 1 . 1 185 185 GLU H H 1 8.1 0.01 . 1 . . . . . 185 GLU H . 26636 1 284 . 1 . 1 185 185 GLU N N 15 127.456 0.03 . 1 . . . . . 185 GLU N . 26636 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_Assignment_282.5K_6.58pH _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_282.5K_6.58pH _Assigned_chem_shift_list.Entry_ID 26636 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $282.5K-6.58pH _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'Maximum deviation taken from repeated manual peak picking on the same spectrum.' _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' . . . 26636 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 $CARA . . 26636 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 . 1 . 1 4 4 GLU H H 1 8.742 0.01 . 1 . . . . . 4 GLU H . 26636 2 2 . 1 . 1 4 4 GLU N N 15 123.738 0.03 . 1 . . . . . 4 GLU N . 26636 2 3 . 1 . 1 5 5 ILE H H 1 8.509 0.01 . 1 . . . . . 5 ILE H . 26636 2 4 . 1 . 1 5 5 ILE N N 15 124.417 0.03 . 1 . . . . . 5 ILE N . 26636 2 5 . 1 . 1 6 6 LYS H H 1 8.595 0.01 . 1 . . . . . 6 LYS H . 26636 2 6 . 1 . 1 6 6 LYS N N 15 126.884 0.03 . 1 . . . . . 6 LYS N . 26636 2 7 . 1 . 1 7 7 ASN H H 1 8.615 0.01 . 1 . . . . . 7 ASN H . 26636 2 8 . 1 . 1 7 7 ASN N N 15 121.036 0.03 . 1 . . . . . 7 ASN N . 26636 2 9 . 1 . 1 10 10 GLU H H 1 8.663 0.01 . 1 . . . . . 10 GLU H . 26636 2 10 . 1 . 1 10 10 GLU N N 15 121.49 0.03 . 1 . . . . . 10 GLU N . 26636 2 11 . 1 . 1 11 11 GLN H H 1 8.497 0.01 . 1 . . . . . 11 GLN H . 26636 2 12 . 1 . 1 11 11 GLN N N 15 121.335 0.03 . 1 . . . . . 11 GLN N . 26636 2 13 . 1 . 1 12 12 GLU H H 1 8.561 0.01 . 1 . . . . . 12 GLU H . 26636 2 14 . 1 . 1 12 12 GLU N N 15 123.338 0.03 . 1 . . . . . 12 GLU N . 26636 2 15 . 1 . 1 13 13 VAL H H 1 8.415 0.01 . 1 . . . . . 13 VAL H . 26636 2 16 . 1 . 1 13 13 VAL N N 15 124.394 0.03 . 1 . . . . . 13 VAL N . 26636 2 17 . 1 . 1 15 15 LYS H H 1 8.568 0.01 . 1 . . . . . 15 LYS H . 26636 2 18 . 1 . 1 15 15 LYS N N 15 122.948 0.03 . 1 . . . . . 15 LYS N . 26636 2 19 . 1 . 1 17 17 ALA H H 1 8.617 0.01 . 1 . . . . . 17 ALA H . 26636 2 20 . 1 . 1 17 17 ALA N N 15 129.054 0.03 . 1 . . . . . 17 ALA N . 26636 2 21 . 1 . 1 18 18 THR H H 1 8.294 0.01 . 1 . . . . . 18 THR H . 26636 2 22 . 1 . 1 18 18 THR N N 15 114.436 0.03 . 1 . . . . . 18 THR N . 26636 2 23 . 1 . 1 19 19 GLU H H 1 8.602 0.01 . 1 . . . . . 19 GLU H . 26636 2 24 . 1 . 1 19 19 GLU N N 15 123.507 0.03 . 1 . . . . . 19 GLU N . 26636 2 25 . 1 . 1 20 20 GLU H H 1 8.607 0.01 . 1 . . . . . 20 GLU H . 26636 2 26 . 1 . 1 20 20 GLU N N 15 122.699 0.03 . 1 . . . . . 20 GLU N . 26636 2 27 . 1 . 1 21 21 SER H H 1 8.534 0.01 . 1 . . . . . 21 SER H . 26636 2 28 . 1 . 1 21 21 SER N N 15 117.559 0.03 . 1 . . . . . 21 SER N . 26636 2 29 . 1 . 1 22 22 SER H H 1 8.507 0.01 . 1 . . . . . 22 SER H . 26636 2 30 . 1 . 1 22 22 SER N N 15 118.484 0.03 . 1 . . . . . 22 SER N . 26636 2 31 . 1 . 1 23 23 ALA H H 1 8.403 0.01 . 1 . . . . . 23 ALA H . 26636 2 32 . 1 . 1 23 23 ALA N N 15 126.238 0.03 . 1 . . . . . 23 ALA N . 26636 2 33 . 1 . 1 24 24 GLU H H 1 8.4 0.01 . 1 . . . . . 24 GLU H . 26636 2 34 . 1 . 1 24 24 GLU N N 15 120.333 0.03 . 1 . . . . . 24 GLU N . 26636 2 35 . 1 . 1 26 26 THR H H 1 8.347 0.01 . 1 . . . . . 26 THR H . 26636 2 36 . 1 . 1 26 26 THR N N 15 118.355 0.03 . 1 . . . . . 26 THR N . 26636 2 37 . 1 . 1 27 27 ASP H H 1 8.435 0.01 . 1 . . . . . 27 ASP H . 26636 2 38 . 1 . 1 27 27 ASP N N 15 123.149 0.03 . 1 . . . . . 27 ASP N . 26636 2 39 . 1 . 1 29 29 GLY H H 1 8.585 0.01 . 1 . . . . . 29 GLY H . 26636 2 40 . 1 . 1 29 29 GLY N N 15 109.376 0.03 . 1 . . . . . 29 GLY N . 26636 2 41 . 1 . 1 30 30 LEU H H 1 8.019 0.01 . 1 . . . . . 30 LEU H . 26636 2 42 . 1 . 1 30 30 LEU N N 15 121.186 0.03 . 1 . . . . . 30 LEU N . 26636 2 43 . 1 . 1 31 31 PHE H H 1 8.201 0.01 . 1 . . . . . 31 PHE H . 26636 2 44 . 1 . 1 31 31 PHE N N 15 119.532 0.03 . 1 . . . . . 31 PHE N . 26636 2 45 . 1 . 1 33 33 PHE H H 1 8.16 0.01 . 1 . . . . . 33 PHE H . 26636 2 46 . 1 . 1 33 33 PHE N N 15 120.436 0.03 . 1 . . . . . 33 PHE N . 26636 2 47 . 1 . 1 35 35 GLY H H 1 8.076 0.01 . 1 . . . . . 35 GLY H . 26636 2 48 . 1 . 1 35 35 GLY N N 15 109.029 0.03 . 1 . . . . . 35 GLY N . 26636 2 49 . 1 . 1 36 36 LYS H H 1 8.126 0.01 . 1 . . . . . 36 LYS H . 26636 2 50 . 1 . 1 36 36 LYS N N 15 121.18 0.03 . 1 . . . . . 36 LYS N . 26636 2 51 . 1 . 1 37 37 LYS H H 1 8.555 0.01 . 1 . . . . . 37 LYS H . 26636 2 52 . 1 . 1 37 37 LYS N N 15 123.648 0.03 . 1 . . . . . 37 LYS N . 26636 2 53 . 1 . 1 38 38 LYS H H 1 8.529 0.01 . 1 . . . . . 38 LYS H . 26636 2 54 . 1 . 1 38 38 LYS N N 15 123.818 0.03 . 1 . . . . . 38 LYS N . 26636 2 55 . 1 . 1 39 39 ASP H H 1 8.514 0.01 . 1 . . . . . 39 ASP H . 26636 2 56 . 1 . 1 39 39 ASP N N 15 122.213 0.03 . 1 . . . . . 39 ASP N . 26636 2 57 . 1 . 1 41 41 THR H H 1 8.413 0.01 . 1 . . . . . 41 THR H . 26636 2 58 . 1 . 1 41 41 THR N N 15 116.243 0.03 . 1 . . . . . 41 THR N . 26636 2 59 . 1 . 1 44 44 GLU H H 1 8.724 0.01 . 1 . . . . . 44 GLU H . 26636 2 60 . 1 . 1 44 44 GLU N N 15 121.428 0.03 . 1 . . . . . 44 GLU N . 26636 2 61 . 1 . 1 46 46 THR H H 1 8.444 0.01 . 1 . . . . . 46 THR H . 26636 2 62 . 1 . 1 46 46 THR N N 15 119.517 0.03 . 1 . . . . . 46 THR N . 26636 2 63 . 1 . 1 49 49 ALA H H 1 8.548 0.01 . 1 . . . . . 49 ALA H . 26636 2 64 . 1 . 1 49 49 ALA N N 15 129.245 0.03 . 1 . . . . . 49 ALA N . 26636 2 65 . 1 . 1 50 50 SER H H 1 8.456 0.01 . 1 . . . . . 50 SER H . 26636 2 66 . 1 . 1 50 50 SER N N 15 116.038 0.03 . 1 . . . . . 50 SER N . 26636 2 67 . 1 . 1 52 52 PHE H H 1 8.209 0.01 . 1 . . . . . 52 PHE H . 26636 2 68 . 1 . 1 52 52 PHE N N 15 120.152 0.03 . 1 . . . . . 52 PHE N . 26636 2 69 . 1 . 1 53 53 GLU H H 1 8.206 0.01 . 1 . . . . . 53 GLU H . 26636 2 70 . 1 . 1 53 53 GLU N N 15 122.36 0.03 . 1 . . . . . 53 GLU N . 26636 2 71 . 1 . 1 54 54 GLN H H 1 8.448 0.01 . 1 . . . . . 54 GLN H . 26636 2 72 . 1 . 1 54 54 GLN N N 15 122.088 0.03 . 1 . . . . . 54 GLN N . 26636 2 73 . 1 . 1 57 57 HIS H H 1 8.707 0.01 . 1 . . . . . 57 HIS H . 26636 2 74 . 1 . 1 57 57 HIS N N 15 124.244 0.03 . 1 . . . . . 57 HIS N . 26636 2 75 . 1 . 1 58 58 ILE H H 1 8.391 0.01 . 1 . . . . . 58 ILE H . 26636 2 76 . 1 . 1 58 58 ILE N N 15 124.781 0.03 . 1 . . . . . 58 ILE N . 26636 2 77 . 1 . 1 59 59 SER H H 1 8.545 0.01 . 1 . . . . . 59 SER H . 26636 2 78 . 1 . 1 59 59 SER N N 15 121.067 0.03 . 1 . . . . . 59 SER N . 26636 2 79 . 1 . 1 60 60 GLU H H 1 8.545 0.01 . 1 . . . . . 60 GLU H . 26636 2 80 . 1 . 1 60 60 GLU N N 15 124.705 0.03 . 1 . . . . . 60 GLU N . 26636 2 81 . 1 . 1 64 64 GLU H H 1 8.608 0.01 . 1 . . . . . 64 GLU H . 26636 2 82 . 1 . 1 64 64 GLU N N 15 122.028 0.03 . 1 . . . . . 64 GLU N . 26636 2 83 . 1 . 1 66 66 LYS H H 1 8.528 0.01 . 1 . . . . . 66 LYS H . 26636 2 84 . 1 . 1 66 66 LYS N N 15 126.155 0.03 . 1 . . . . . 66 LYS N . 26636 2 85 . 1 . 1 67 67 HIS H H 1 8.697 0.01 . 1 . . . . . 67 HIS H . 26636 2 86 . 1 . 1 67 67 HIS N N 15 121.754 0.03 . 1 . . . . . 67 HIS N . 26636 2 87 . 1 . 1 68 68 GLU H H 1 8.71 0.01 . 1 . . . . . 68 GLU H . 26636 2 88 . 1 . 1 68 68 GLU N N 15 123.231 0.03 . 1 . . . . . 68 GLU N . 26636 2 89 . 1 . 1 69 69 SER H H 1 8.688 0.01 . 1 . . . . . 69 SER H . 26636 2 90 . 1 . 1 69 69 SER N N 15 118.308 0.03 . 1 . . . . . 69 SER N . 26636 2 91 . 1 . 1 70 70 LEU H H 1 8.513 0.01 . 1 . . . . . 70 LEU H . 26636 2 92 . 1 . 1 70 70 LEU N N 15 124.389 0.03 . 1 . . . . . 70 LEU N . 26636 2 93 . 1 . 1 71 71 LEU H H 1 8.143 0.01 . 1 . . . . . 71 LEU H . 26636 2 94 . 1 . 1 71 71 LEU N N 15 121.18 0.03 . 1 . . . . . 71 LEU N . 26636 2 95 . 1 . 1 72 72 GLU H H 1 8.172 0.01 . 1 . . . . . 72 GLU H . 26636 2 96 . 1 . 1 72 72 GLU N N 15 121.046 0.03 . 1 . . . . . 72 GLU N . 26636 2 97 . 1 . 1 74 74 LEU H H 1 8.174 0.01 . 1 . . . . . 74 LEU H . 26636 2 98 . 1 . 1 74 74 LEU N N 15 122.021 0.03 . 1 . . . . . 74 LEU N . 26636 2 99 . 1 . 1 75 75 HIS H H 1 8.404 0.01 . 1 . . . . . 75 HIS H . 26636 2 100 . 1 . 1 75 75 HIS N N 15 119.377 0.03 . 1 . . . . . 75 HIS N . 26636 2 101 . 1 . 1 76 76 ARG H H 1 8.422 0.01 . 1 . . . . . 76 ARG H . 26636 2 102 . 1 . 1 76 76 ARG N N 15 122.88 0.03 . 1 . . . . . 76 ARG N . 26636 2 103 . 1 . 1 77 77 SER H H 1 8.583 0.01 . 1 . . . . . 77 SER H . 26636 2 104 . 1 . 1 77 77 SER N N 15 117.352 0.03 . 1 . . . . . 77 SER N . 26636 2 105 . 1 . 1 79 79 SER H H 1 8.41 0.01 . 1 . . . . . 79 SER H . 26636 2 106 . 1 . 1 79 79 SER N N 15 116.515 0.03 . 1 . . . . . 79 SER N . 26636 2 107 . 1 . 1 80 80 SER H H 1 8.512 0.01 . 1 . . . . . 80 SER H . 26636 2 108 . 1 . 1 80 80 SER N N 15 118.265 0.03 . 1 . . . . . 80 SER N . 26636 2 109 . 1 . 1 81 81 SER H H 1 8.437 0.01 . 1 . . . . . 81 SER H . 26636 2 110 . 1 . 1 81 81 SER N N 15 117.926 0.03 . 1 . . . . . 81 SER N . 26636 2 111 . 1 . 1 82 82 SER H H 1 8.469 0.01 . 1 . . . . . 82 SER H . 26636 2 112 . 1 . 1 82 82 SER N N 15 118.122 0.03 . 1 . . . . . 82 SER N . 26636 2 113 . 1 . 1 83 83 SER H H 1 8.5 0.01 . 1 . . . . . 83 SER H . 26636 2 114 . 1 . 1 83 83 SER N N 15 118.225 0.03 . 1 . . . . . 83 SER N . 26636 2 115 . 1 . 1 84 84 SER H H 1 8.497 0.01 . 1 . . . . . 84 SER H . 26636 2 116 . 1 . 1 84 84 SER N N 15 118.206 0.03 . 1 . . . . . 84 SER N . 26636 2 117 . 1 . 1 85 85 SER H H 1 8.496 0.01 . 1 . . . . . 85 SER H . 26636 2 118 . 1 . 1 85 85 SER N N 15 118.226 0.03 . 1 . . . . . 85 SER N . 26636 2 119 . 1 . 1 87 87 GLU H H 1 8.448 0.01 . 1 . . . . . 87 GLU H . 26636 2 120 . 1 . 1 87 87 GLU N N 15 121.527 0.03 . 1 . . . . . 87 GLU N . 26636 2 121 . 1 . 1 89 89 GLY H H 1 8.588 0.01 . 1 . . . . . 89 GLY H . 26636 2 122 . 1 . 1 89 89 GLY N N 15 110.337 0.03 . 1 . . . . . 89 GLY N . 26636 2 123 . 1 . 1 90 90 SER H H 1 8.426 0.01 . 1 . . . . . 90 SER H . 26636 2 124 . 1 . 1 90 90 SER N N 15 116.101 0.03 . 1 . . . . . 90 SER N . 26636 2 125 . 1 . 1 91 91 ASP H H 1 8.652 0.01 . 1 . . . . . 91 ASP H . 26636 2 126 . 1 . 1 91 91 ASP N N 15 122.172 0.03 . 1 . . . . . 91 ASP N . 26636 2 127 . 1 . 1 92 92 GLY H H 1 8.453 0.01 . 1 . . . . . 92 GLY H . 26636 2 128 . 1 . 1 92 92 GLY N N 15 109.043 0.03 . 1 . . . . . 92 GLY N . 26636 2 129 . 1 . 1 102 102 LYS H H 1 8.516 0.01 . 1 . . . . . 102 LYS H . 26636 2 130 . 1 . 1 102 102 LYS N N 15 124.095 0.03 . 1 . . . . . 102 LYS N . 26636 2 131 . 1 . 1 103 103 LYS H H 1 8.59 0.01 . 1 . . . . . 103 LYS H . 26636 2 132 . 1 . 1 103 103 LYS N N 15 125.52 0.03 . 1 . . . . . 103 LYS N . 26636 2 133 . 1 . 1 105 105 THR H H 1 8.514 0.01 . 1 . . . . . 105 THR H . 26636 2 134 . 1 . 1 105 105 THR N N 15 115.439 0.03 . 1 . . . . . 105 THR N . 26636 2 135 . 1 . 1 106 106 THR H H 1 8.232 0.01 . 1 . . . . . 106 THR H . 26636 2 136 . 1 . 1 106 106 THR N N 15 116.198 0.03 . 1 . . . . . 106 THR N . 26636 2 137 . 1 . 1 109 109 GLU H H 1 8.512 0.01 . 1 . . . . . 109 GLU H . 26636 2 138 . 1 . 1 109 109 GLU N N 15 125.541 0.03 . 1 . . . . . 109 GLU N . 26636 2 139 . 1 . 1 110 110 VAL H H 1 8.445 0.01 . 1 . . . . . 110 VAL H . 26636 2 140 . 1 . 1 110 110 VAL N N 15 123.92 0.03 . 1 . . . . . 110 VAL N . 26636 2 141 . 1 . 1 111 111 LYS H H 1 8.563 0.01 . 1 . . . . . 111 LYS H . 26636 2 142 . 1 . 1 111 111 LYS N N 15 126.192 0.03 . 1 . . . . . 111 LYS N . 26636 2 143 . 1 . 1 112 112 GLU H H 1 8.621 0.01 . 1 . . . . . 112 GLU H . 26636 2 144 . 1 . 1 112 112 GLU N N 15 123.298 0.03 . 1 . . . . . 112 GLU N . 26636 2 145 . 1 . 1 113 113 GLU H H 1 8.701 0.01 . 1 . . . . . 113 GLU H . 26636 2 146 . 1 . 1 113 113 GLU N N 15 121.717 0.03 . 1 . . . . . 113 GLU N . 26636 2 147 . 1 . 1 114 114 GLU H H 1 8.415 0.01 . 1 . . . . . 114 GLU H . 26636 2 148 . 1 . 1 114 114 GLU N N 15 122.115 0.03 . 1 . . . . . 114 GLU N . 26636 2 149 . 1 . 1 117 117 GLY H H 1 8.532 0.01 . 1 . . . . . 117 GLY H . 26636 2 150 . 1 . 1 117 117 GLY N N 15 109.911 0.03 . 1 . . . . . 117 GLY N . 26636 2 151 . 1 . 1 118 118 PHE H H 1 8.159 0.01 . 1 . . . . . 118 PHE H . 26636 2 152 . 1 . 1 118 118 PHE N N 15 120.674 0.03 . 1 . . . . . 118 PHE N . 26636 2 153 . 1 . 1 122 122 LEU H H 1 8.183 0.01 . 1 . . . . . 122 LEU H . 26636 2 154 . 1 . 1 122 122 LEU N N 15 122.953 0.03 . 1 . . . . . 122 LEU N . 26636 2 155 . 1 . 1 126 126 LEU H H 1 8.395 0.01 . 1 . . . . . 126 LEU H . 26636 2 156 . 1 . 1 126 126 LEU N N 15 125.246 0.03 . 1 . . . . . 126 LEU N . 26636 2 157 . 1 . 1 128 128 GLY H H 1 8.576 0.01 . 1 . . . . . 128 GLY H . 26636 2 158 . 1 . 1 128 128 GLY N N 15 109.328 0.03 . 1 . . . . . 128 GLY N . 26636 2 159 . 1 . 1 129 129 HIS H H 1 8.323 0.01 . 1 . . . . . 129 HIS H . 26636 2 160 . 1 . 1 129 129 HIS N N 15 119.026 0.03 . 1 . . . . . 129 HIS N . 26636 2 161 . 1 . 1 130 130 LYS H H 1 8.467 0.01 . 1 . . . . . 130 LYS H . 26636 2 162 . 1 . 1 130 130 LYS N N 15 123.677 0.03 . 1 . . . . . 130 LYS N . 26636 2 163 . 1 . 1 131 131 LYS H H 1 8.645 0.01 . 1 . . . . . 131 LYS H . 26636 2 164 . 1 . 1 131 131 LYS N N 15 125.463 0.03 . 1 . . . . . 131 LYS N . 26636 2 165 . 1 . 1 133 133 GLU H H 1 8.815 0.01 . 1 . . . . . 133 GLU H . 26636 2 166 . 1 . 1 133 133 GLU N N 15 121.341 0.03 . 1 . . . . . 133 GLU N . 26636 2 167 . 1 . 1 134 134 ASP H H 1 8.408 0.01 . 1 . . . . . 134 ASP H . 26636 2 168 . 1 . 1 134 134 ASP N N 15 121.823 0.03 . 1 . . . . . 134 ASP N . 26636 2 169 . 1 . 1 135 135 GLY H H 1 8.53 0.01 . 1 . . . . . 135 GLY H . 26636 2 170 . 1 . 1 135 135 GLY N N 15 110.274 0.03 . 1 . . . . . 135 GLY N . 26636 2 171 . 1 . 1 136 136 SER H H 1 8.303 0.01 . 1 . . . . . 136 SER H . 26636 2 172 . 1 . 1 136 136 SER N N 15 116.101 0.03 . 1 . . . . . 136 SER N . 26636 2 173 . 1 . 1 137 137 ALA H H 1 8.39 0.01 . 1 . . . . . 137 ALA H . 26636 2 174 . 1 . 1 137 137 ALA N N 15 126.026 0.03 . 1 . . . . . 137 ALA N . 26636 2 175 . 1 . 1 138 138 VAL H H 1 8.149 0.01 . 1 . . . . . 138 VAL H . 26636 2 176 . 1 . 1 138 138 VAL N N 15 119.956 0.03 . 1 . . . . . 138 VAL N . 26636 2 177 . 1 . 1 139 139 ALA H H 1 8.449 0.01 . 1 . . . . . 139 ALA H . 26636 2 178 . 1 . 1 139 139 ALA N N 15 128.682 0.03 . 1 . . . . . 139 ALA N . 26636 2 179 . 1 . 1 140 140 ALA H H 1 8.361 0.01 . 1 . . . . . 140 ALA H . 26636 2 180 . 1 . 1 140 140 ALA N N 15 124.253 0.03 . 1 . . . . . 140 ALA N . 26636 2 181 . 1 . 1 141 141 ALA H H 1 8.369 0.01 . 1 . . . . . 141 ALA H . 26636 2 182 . 1 . 1 141 141 ALA N N 15 125.498 0.03 . 1 . . . . . 141 ALA N . 26636 2 183 . 1 . 1 144 144 VAL H H 1 8.462 0.01 . 1 . . . . . 144 VAL H . 26636 2 184 . 1 . 1 144 144 VAL N N 15 126.693 0.03 . 1 . . . . . 144 VAL N . 26636 2 185 . 1 . 1 145 145 VAL H H 1 8.556 0.01 . 1 . . . . . 145 VAL H . 26636 2 186 . 1 . 1 145 145 VAL N N 15 128.558 0.03 . 1 . . . . . 145 VAL N . 26636 2 187 . 1 . 1 149 149 VAL H H 1 8.359 0.01 . 1 . . . . . 149 VAL H . 26636 2 188 . 1 . 1 149 149 VAL N N 15 121.213 0.03 . 1 . . . . . 149 VAL N . 26636 2 189 . 1 . 1 150 150 GLU H H 1 8.612 0.01 . 1 . . . . . 150 GLU H . 26636 2 190 . 1 . 1 150 150 GLU N N 15 125.53 0.03 . 1 . . . . . 150 GLU N . 26636 2 191 . 1 . 1 153 153 HIS H H 1 8.585 0.01 . 1 . . . . . 153 HIS H . 26636 2 192 . 1 . 1 153 153 HIS N N 15 118.912 0.03 . 1 . . . . . 153 HIS N . 26636 2 193 . 1 . 1 155 155 VAL H H 1 8.498 0.01 . 1 . . . . . 155 VAL H . 26636 2 194 . 1 . 1 155 155 VAL N N 15 121.547 0.03 . 1 . . . . . 155 VAL N . 26636 2 195 . 1 . 1 156 156 GLU H H 1 8.64 0.01 . 1 . . . . . 156 GLU H . 26636 2 196 . 1 . 1 156 156 GLU N N 15 125.789 0.03 . 1 . . . . . 156 GLU N . 26636 2 197 . 1 . 1 159 159 GLY H H 1 8.608 0.01 . 1 . . . . . 159 GLY H . 26636 2 198 . 1 . 1 159 159 GLY N N 15 110.543 0.03 . 1 . . . . . 159 GLY N . 26636 2 199 . 1 . 1 160 160 ILE H H 1 8.115 0.01 . 1 . . . . . 160 ILE H . 26636 2 200 . 1 . 1 160 160 ILE N N 15 120.462 0.03 . 1 . . . . . 160 ILE N . 26636 2 201 . 1 . 1 168 168 LEU H H 1 8.326 0.01 . 1 . . . . . 168 LEU H . 26636 2 202 . 1 . 1 168 168 LEU N N 15 125.158 0.03 . 1 . . . . . 168 LEU N . 26636 2 203 . 1 . 1 170 170 GLY H H 1 8.637 0.01 . 1 . . . . . 170 GLY H . 26636 2 204 . 1 . 1 170 170 GLY N N 15 109.696 0.03 . 1 . . . . . 170 GLY N . 26636 2 205 . 1 . 1 171 171 TYR H H 1 8.017 0.01 . 1 . . . . . 171 TYR H . 26636 2 206 . 1 . 1 171 171 TYR N N 15 120.891 0.03 . 1 . . . . . 171 TYR N . 26636 2 207 . 1 . 1 172 172 HIS H H 1 8.276 0.01 . 1 . . . . . 172 HIS H . 26636 2 208 . 1 . 1 172 172 HIS N N 15 124.668 0.03 . 1 . . . . . 172 HIS N . 26636 2 209 . 1 . 1 174 174 LYS H H 1 8.654 0.01 . 1 . . . . . 174 LYS H . 26636 2 210 . 1 . 1 174 174 LYS N N 15 122.241 0.03 . 1 . . . . . 174 LYS N . 26636 2 211 . 1 . 1 175 175 THR H H 1 8.39 0.01 . 1 . . . . . 175 THR H . 26636 2 212 . 1 . 1 175 175 THR N N 15 116.246 0.03 . 1 . . . . . 175 THR N . 26636 2 213 . 1 . 1 176 176 THR H H 1 8.348 0.01 . 1 . . . . . 176 THR H . 26636 2 214 . 1 . 1 176 176 THR N N 15 117.264 0.03 . 1 . . . . . 176 THR N . 26636 2 215 . 1 . 1 178 178 GLU H H 1 8.573 0.01 . 1 . . . . . 178 GLU H . 26636 2 216 . 1 . 1 178 178 GLU N N 15 124.926 0.03 . 1 . . . . . 178 GLU N . 26636 2 217 . 1 . 1 183 183 ASP H H 1 8.48 0.01 . 1 . . . . . 183 ASP H . 26636 2 218 . 1 . 1 183 183 ASP N N 15 121.614 0.03 . 1 . . . . . 183 ASP N . 26636 2 219 . 1 . 1 184 184 LYS H H 1 8.28 0.01 . 1 . . . . . 184 LYS H . 26636 2 220 . 1 . 1 184 184 LYS N N 15 121.274 0.03 . 1 . . . . . 184 LYS N . 26636 2 221 . 1 . 1 185 185 GLU H H 1 8.144 0.01 . 1 . . . . . 185 GLU H . 26636 2 222 . 1 . 1 185 185 GLU N N 15 127.545 0.03 . 1 . . . . . 185 GLU N . 26636 2 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_Assignment_277K_6.58pH _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_277K_6.58pH _Assigned_chem_shift_list.Entry_ID 26636 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $277K-6.58pH _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'Maximum deviation taken from repeated manual peak picking on the same spectrum.' _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 3 '2D 1H-15N HSQC' . . . 26636 3 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 $CARA . . 26636 3 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 4 4 GLU H H 1 8.787 0.01 . 1 . . . . . 4 GLU H . 26636 3 2 . 1 . 1 4 4 GLU N N 15 123.889 0.03 . 1 . . . . . 4 GLU N . 26636 3 3 . 1 . 1 5 5 ILE H H 1 8.569 0.01 . 1 . . . . . 5 ILE H . 26636 3 4 . 1 . 1 5 5 ILE N N 15 124.643 0.03 . 1 . . . . . 5 ILE N . 26636 3 5 . 1 . 1 6 6 LYS H H 1 8.647 0.01 . 1 . . . . . 6 LYS H . 26636 3 6 . 1 . 1 6 6 LYS N N 15 127.097 0.03 . 1 . . . . . 6 LYS N . 26636 3 7 . 1 . 1 7 7 ASN H H 1 8.663 0.01 . 1 . . . . . 7 ASN H . 26636 3 8 . 1 . 1 7 7 ASN N N 15 121.146 0.03 . 1 . . . . . 7 ASN N . 26636 3 9 . 1 . 1 10 10 GLU H H 1 8.704 0.01 . 1 . . . . . 10 GLU H . 26636 3 10 . 1 . 1 10 10 GLU N N 15 121.613 0.03 . 1 . . . . . 10 GLU N . 26636 3 11 . 1 . 1 11 11 GLN H H 1 8.549 0.01 . 1 . . . . . 11 GLN H . 26636 3 12 . 1 . 1 11 11 GLN N N 15 121.547 0.03 . 1 . . . . . 11 GLN N . 26636 3 13 . 1 . 1 12 12 GLU H H 1 8.613 0.01 . 1 . . . . . 12 GLU H . 26636 3 14 . 1 . 1 12 12 GLU N N 15 123.499 0.03 . 1 . . . . . 12 GLU N . 26636 3 15 . 1 . 1 13 13 VAL H H 1 8.483 0.01 . 1 . . . . . 13 VAL H . 26636 3 16 . 1 . 1 13 13 VAL N N 15 124.651 0.03 . 1 . . . . . 13 VAL N . 26636 3 17 . 1 . 1 15 15 LYS H H 1 8.618 0.01 . 1 . . . . . 15 LYS H . 26636 3 18 . 1 . 1 15 15 LYS N N 15 123.07 0.03 . 1 . . . . . 15 LYS N . 26636 3 19 . 1 . 1 17 17 ALA H H 1 8.668 0.01 . 1 . . . . . 17 ALA H . 26636 3 20 . 1 . 1 17 17 ALA N N 15 129.236 0.03 . 1 . . . . . 17 ALA N . 26636 3 21 . 1 . 1 18 18 THR H H 1 8.349 0.01 . 1 . . . . . 18 THR H . 26636 3 22 . 1 . 1 18 18 THR N N 15 114.632 0.03 . 1 . . . . . 18 THR N . 26636 3 23 . 1 . 1 19 19 GLU H H 1 8.645 0.01 . 1 . . . . . 19 GLU H . 26636 3 24 . 1 . 1 19 19 GLU N N 15 123.634 0.03 . 1 . . . . . 19 GLU N . 26636 3 25 . 1 . 1 20 20 GLU H H 1 8.652 0.01 . 1 . . . . . 20 GLU H . 26636 3 26 . 1 . 1 20 20 GLU N N 15 122.822 0.03 . 1 . . . . . 20 GLU N . 26636 3 27 . 1 . 1 21 21 SER H H 1 8.586 0.01 . 1 . . . . . 21 SER H . 26636 3 28 . 1 . 1 21 21 SER N N 15 117.715 0.03 . 1 . . . . . 21 SER N . 26636 3 29 . 1 . 1 22 22 SER H H 1 8.555 0.01 . 1 . . . . . 22 SER H . 26636 3 30 . 1 . 1 22 22 SER N N 15 118.601 0.03 . 1 . . . . . 22 SER N . 26636 3 31 . 1 . 1 23 23 ALA H H 1 8.44 0.01 . 1 . . . . . 23 ALA H . 26636 3 32 . 1 . 1 23 23 ALA N N 15 126.298 0.03 . 1 . . . . . 23 ALA N . 26636 3 33 . 1 . 1 24 24 GLU H H 1 8.433 0.01 . 1 . . . . . 24 GLU H . 26636 3 34 . 1 . 1 24 24 GLU N N 15 120.451 0.03 . 1 . . . . . 24 GLU N . 26636 3 35 . 1 . 1 26 26 THR H H 1 8.394 0.01 . 1 . . . . . 26 THR H . 26636 3 36 . 1 . 1 26 26 THR N N 15 118.584 0.03 . 1 . . . . . 26 THR N . 26636 3 37 . 1 . 1 27 27 ASP H H 1 8.479 0.01 . 1 . . . . . 27 ASP H . 26636 3 38 . 1 . 1 27 27 ASP N N 15 123.237 0.03 . 1 . . . . . 27 ASP N . 26636 3 39 . 1 . 1 29 29 GLY H H 1 8.633 0.01 . 1 . . . . . 29 GLY H . 26636 3 40 . 1 . 1 29 29 GLY N N 15 109.504 0.03 . 1 . . . . . 29 GLY N . 26636 3 41 . 1 . 1 30 30 LEU H H 1 8.054 0.01 . 1 . . . . . 30 LEU H . 26636 3 42 . 1 . 1 30 30 LEU N N 15 121.191 0.03 . 1 . . . . . 30 LEU N . 26636 3 43 . 1 . 1 31 31 PHE H H 1 8.241 0.01 . 1 . . . . . 31 PHE H . 26636 3 44 . 1 . 1 31 31 PHE N N 15 119.644 0.03 . 1 . . . . . 31 PHE N . 26636 3 45 . 1 . 1 33 33 PHE H H 1 8.201 0.01 . 1 . . . . . 33 PHE H . 26636 3 46 . 1 . 1 33 33 PHE N N 15 120.542 0.03 . 1 . . . . . 33 PHE N . 26636 3 47 . 1 . 1 35 35 GLY H H 1 8.096 0.01 . 1 . . . . . 35 GLY H . 26636 3 48 . 1 . 1 35 35 GLY N N 15 109.109 0.03 . 1 . . . . . 35 GLY N . 26636 3 49 . 1 . 1 36 36 LYS H H 1 8.163 0.01 . 1 . . . . . 36 LYS H . 26636 3 50 . 1 . 1 36 36 LYS N N 15 121.278 0.03 . 1 . . . . . 36 LYS N . 26636 3 51 . 1 . 1 37 37 LYS H H 1 8.608 0.01 . 1 . . . . . 37 LYS H . 26636 3 52 . 1 . 1 37 37 LYS N N 15 123.831 0.03 . 1 . . . . . 37 LYS N . 26636 3 53 . 1 . 1 38 38 LYS H H 1 8.583 0.01 . 1 . . . . . 38 LYS H . 26636 3 54 . 1 . 1 38 38 LYS N N 15 124.001 0.03 . 1 . . . . . 38 LYS N . 26636 3 55 . 1 . 1 39 39 ASP H H 1 8.558 0.01 . 1 . . . . . 39 ASP H . 26636 3 56 . 1 . 1 39 39 ASP N N 15 122.329 0.03 . 1 . . . . . 39 ASP N . 26636 3 57 . 1 . 1 41 41 THR H H 1 8.454 0.01 . 1 . . . . . 41 THR H . 26636 3 58 . 1 . 1 41 41 THR N N 15 116.42 0.03 . 1 . . . . . 41 THR N . 26636 3 59 . 1 . 1 44 44 GLU H H 1 8.76 0.01 . 1 . . . . . 44 GLU H . 26636 3 60 . 1 . 1 44 44 GLU N N 15 121.572 0.03 . 1 . . . . . 44 GLU N . 26636 3 61 . 1 . 1 46 46 THR H H 1 8.505 0.01 . 1 . . . . . 46 THR H . 26636 3 62 . 1 . 1 46 46 THR N N 15 119.759 0.03 . 1 . . . . . 46 THR N . 26636 3 63 . 1 . 1 49 49 ALA H H 1 8.602 0.01 . 1 . . . . . 49 ALA H . 26636 3 64 . 1 . 1 49 49 ALA N N 15 129.447 0.03 . 1 . . . . . 49 ALA N . 26636 3 65 . 1 . 1 50 50 SER H H 1 8.51 0.01 . 1 . . . . . 50 SER H . 26636 3 66 . 1 . 1 50 50 SER N N 15 116.172 0.03 . 1 . . . . . 50 SER N . 26636 3 67 . 1 . 1 52 52 PHE H H 1 8.249 0.01 . 1 . . . . . 52 PHE H . 26636 3 68 . 1 . 1 52 52 PHE N N 15 120.248 0.03 . 1 . . . . . 52 PHE N . 26636 3 69 . 1 . 1 53 53 GLU H H 1 8.232 0.01 . 1 . . . . . 53 GLU H . 26636 3 70 . 1 . 1 53 53 GLU N N 15 122.499 0.03 . 1 . . . . . 53 GLU N . 26636 3 71 . 1 . 1 54 54 GLN H H 1 8.496 0.01 . 1 . . . . . 54 GLN H . 26636 3 72 . 1 . 1 54 54 GLN N N 15 122.247 0.03 . 1 . . . . . 54 GLN N . 26636 3 73 . 1 . 1 57 57 HIS H H 1 8.768 0.01 . 1 . . . . . 57 HIS H . 26636 3 74 . 1 . 1 57 57 HIS N N 15 124.415 0.03 . 1 . . . . . 57 HIS N . 26636 3 75 . 1 . 1 58 58 ILE H H 1 8.456 0.01 . 1 . . . . . 58 ILE H . 26636 3 76 . 1 . 1 58 58 ILE N N 15 125.061 0.03 . 1 . . . . . 58 ILE N . 26636 3 77 . 1 . 1 59 59 SER H H 1 8.599 0.01 . 1 . . . . . 59 SER H . 26636 3 78 . 1 . 1 59 59 SER N N 15 121.274 0.03 . 1 . . . . . 59 SER N . 26636 3 79 . 1 . 1 60 60 GLU H H 1 8.6 0.01 . 1 . . . . . 60 GLU H . 26636 3 80 . 1 . 1 60 60 GLU N N 15 124.808 0.03 . 1 . . . . . 60 GLU N . 26636 3 81 . 1 . 1 64 64 GLU H H 1 8.651 0.01 . 1 . . . . . 64 GLU H . 26636 3 82 . 1 . 1 64 64 GLU N N 15 122.197 0.03 . 1 . . . . . 64 GLU N . 26636 3 83 . 1 . 1 66 66 LYS H H 1 8.578 0.01 . 1 . . . . . 66 LYS H . 26636 3 84 . 1 . 1 66 66 LYS N N 15 126.331 0.03 . 1 . . . . . 66 LYS N . 26636 3 85 . 1 . 1 67 67 HIS H H 1 8.76 0.01 . 1 . . . . . 67 HIS H . 26636 3 86 . 1 . 1 67 67 HIS N N 15 121.841 0.03 . 1 . . . . . 67 HIS N . 26636 3 87 . 1 . 1 68 68 GLU H H 1 8.751 0.01 . 1 . . . . . 68 GLU H . 26636 3 88 . 1 . 1 68 68 GLU N N 15 123.418 0.03 . 1 . . . . . 68 GLU N . 26636 3 89 . 1 . 1 69 69 SER H H 1 8.753 0.01 . 1 . . . . . 69 SER H . 26636 3 90 . 1 . 1 69 69 SER N N 15 118.597 0.03 . 1 . . . . . 69 SER N . 26636 3 91 . 1 . 1 70 70 LEU H H 1 8.57 0.01 . 1 . . . . . 70 LEU H . 26636 3 92 . 1 . 1 70 70 LEU N N 15 124.415 0.03 . 1 . . . . . 70 LEU N . 26636 3 93 . 1 . 1 71 71 LEU H H 1 8.186 0.01 . 1 . . . . . 71 LEU H . 26636 3 94 . 1 . 1 71 71 LEU N N 15 121.241 0.03 . 1 . . . . . 71 LEU N . 26636 3 95 . 1 . 1 72 72 GLU H H 1 8.199 0.01 . 1 . . . . . 72 GLU H . 26636 3 96 . 1 . 1 72 72 GLU N N 15 121.2 0.03 . 1 . . . . . 72 GLU N . 26636 3 97 . 1 . 1 74 74 LEU H H 1 8.219 0.01 . 1 . . . . . 74 LEU H . 26636 3 98 . 1 . 1 74 74 LEU N N 15 122.127 0.03 . 1 . . . . . 74 LEU N . 26636 3 99 . 1 . 1 75 75 HIS H H 1 8.442 0.01 . 1 . . . . . 75 HIS H . 26636 3 100 . 1 . 1 75 75 HIS N N 15 119.354 0.03 . 1 . . . . . 75 HIS N . 26636 3 101 . 1 . 1 76 76 ARG H H 1 8.472 0.01 . 1 . . . . . 76 ARG H . 26636 3 102 . 1 . 1 76 76 ARG N N 15 122.981 0.03 . 1 . . . . . 76 ARG N . 26636 3 103 . 1 . 1 77 77 SER H H 1 8.617 0.01 . 1 . . . . . 77 SER H . 26636 3 104 . 1 . 1 77 77 SER N N 15 117.38 0.03 . 1 . . . . . 77 SER N . 26636 3 105 . 1 . 1 79 79 SER H H 1 8.443 0.01 . 1 . . . . . 79 SER H . 26636 3 106 . 1 . 1 79 79 SER N N 15 116.59 0.03 . 1 . . . . . 79 SER N . 26636 3 107 . 1 . 1 80 80 SER H H 1 8.544 0.01 . 1 . . . . . 80 SER H . 26636 3 108 . 1 . 1 80 80 SER N N 15 118.335 0.03 . 1 . . . . . 80 SER N . 26636 3 109 . 1 . 1 81 81 SER H H 1 8.471 0.01 . 1 . . . . . 81 SER H . 26636 3 110 . 1 . 1 81 81 SER N N 15 118.009 0.03 . 1 . . . . . 81 SER N . 26636 3 111 . 1 . 1 82 82 SER H H 1 8.504 0.01 . 1 . . . . . 82 SER H . 26636 3 112 . 1 . 1 82 82 SER N N 15 118.196 0.03 . 1 . . . . . 82 SER N . 26636 3 113 . 1 . 1 83 83 SER H H 1 8.533 0.01 . 1 . . . . . 83 SER H . 26636 3 114 . 1 . 1 83 83 SER N N 15 118.297 0.03 . 1 . . . . . 83 SER N . 26636 3 115 . 1 . 1 84 84 SER H H 1 8.53 0.01 . 1 . . . . . 84 SER H . 26636 3 116 . 1 . 1 84 84 SER N N 15 118.285 0.03 . 1 . . . . . 84 SER N . 26636 3 117 . 1 . 1 85 85 SER H H 1 8.529 0.01 . 1 . . . . . 85 SER H . 26636 3 118 . 1 . 1 85 85 SER N N 15 118.297 0.03 . 1 . . . . . 85 SER N . 26636 3 119 . 1 . 1 87 87 GLU H H 1 8.479 0.01 . 1 . . . . . 87 GLU H . 26636 3 120 . 1 . 1 87 87 GLU N N 15 121.589 0.03 . 1 . . . . . 87 GLU N . 26636 3 121 . 1 . 1 89 89 GLY H H 1 8.63 0.01 . 1 . . . . . 89 GLY H . 26636 3 122 . 1 . 1 89 89 GLY N N 15 110.447 0.03 . 1 . . . . . 89 GLY N . 26636 3 123 . 1 . 1 90 90 SER H H 1 8.467 0.01 . 1 . . . . . 90 SER H . 26636 3 124 . 1 . 1 90 90 SER N N 15 116.18 0.03 . 1 . . . . . 90 SER N . 26636 3 125 . 1 . 1 91 91 ASP H H 1 8.689 0.01 . 1 . . . . . 91 ASP H . 26636 3 126 . 1 . 1 91 91 ASP N N 15 122.205 0.03 . 1 . . . . . 91 ASP N . 26636 3 127 . 1 . 1 92 92 GLY H H 1 8.485 0.01 . 1 . . . . . 92 GLY H . 26636 3 128 . 1 . 1 92 92 GLY N N 15 109.079 0.03 . 1 . . . . . 92 GLY N . 26636 3 129 . 1 . 1 102 102 LYS H H 1 8.559 0.01 . 1 . . . . . 102 LYS H . 26636 3 130 . 1 . 1 102 102 LYS N N 15 124.266 0.03 . 1 . . . . . 102 LYS N . 26636 3 131 . 1 . 1 103 103 LYS H H 1 8.644 0.01 . 1 . . . . . 103 LYS H . 26636 3 132 . 1 . 1 103 103 LYS N N 15 125.694 0.03 . 1 . . . . . 103 LYS N . 26636 3 133 . 1 . 1 105 105 THR H H 1 8.569 0.01 . 1 . . . . . 105 THR H . 26636 3 134 . 1 . 1 105 105 THR N N 15 115.646 0.03 . 1 . . . . . 105 THR N . 26636 3 135 . 1 . 1 106 106 THR H H 1 8.279 0.01 . 1 . . . . . 106 THR H . 26636 3 136 . 1 . 1 106 106 THR N N 15 116.379 0.03 . 1 . . . . . 106 THR N . 26636 3 137 . 1 . 1 109 109 GLU H H 1 8.551 0.01 . 1 . . . . . 109 GLU H . 26636 3 138 . 1 . 1 109 109 GLU N N 15 125.702 0.03 . 1 . . . . . 109 GLU N . 26636 3 139 . 1 . 1 110 110 VAL H H 1 8.501 0.01 . 1 . . . . . 110 VAL H . 26636 3 140 . 1 . 1 110 110 VAL N N 15 124.152 0.03 . 1 . . . . . 110 VAL N . 26636 3 141 . 1 . 1 111 111 LYS H H 1 8.596 0.01 . 1 . . . . . 111 LYS H . 26636 3 142 . 1 . 1 111 111 LYS N N 15 126.327 0.03 . 1 . . . . . 111 LYS N . 26636 3 143 . 1 . 1 112 112 GLU H H 1 8.661 0.01 . 1 . . . . . 112 GLU H . 26636 3 144 . 1 . 1 112 112 GLU N N 15 123.405 0.03 . 1 . . . . . 112 GLU N . 26636 3 145 . 1 . 1 113 113 GLU H H 1 8.733 0.01 . 1 . . . . . 113 GLU H . 26636 3 146 . 1 . 1 113 113 GLU N N 15 121.8 0.03 . 1 . . . . . 113 GLU N . 26636 3 147 . 1 . 1 114 114 GLU H H 1 8.45 0.01 . 1 . . . . . 114 GLU H . 26636 3 148 . 1 . 1 114 114 GLU N N 15 122.23 0.03 . 1 . . . . . 114 GLU N . 26636 3 149 . 1 . 1 117 117 GLY H H 1 8.575 0.01 . 1 . . . . . 117 GLY H . 26636 3 150 . 1 . 1 117 117 GLY N N 15 110.036 0.03 . 1 . . . . . 117 GLY N . 26636 3 151 . 1 . 1 118 118 PHE H H 1 8.188 0.01 . 1 . . . . . 118 PHE H . 26636 3 152 . 1 . 1 118 118 PHE N N 15 120.777 0.03 . 1 . . . . . 118 PHE N . 26636 3 153 . 1 . 1 122 122 LEU H H 1 8.23 0.01 . 1 . . . . . 122 LEU H . 26636 3 154 . 1 . 1 122 122 LEU N N 15 123.145 0.03 . 1 . . . . . 122 LEU N . 26636 3 155 . 1 . 1 126 126 LEU H H 1 8.454 0.01 . 1 . . . . . 126 LEU H . 26636 3 156 . 1 . 1 126 126 LEU N N 15 125.412 0.03 . 1 . . . . . 126 LEU N . 26636 3 157 . 1 . 1 128 128 GLY H H 1 8.598 0.01 . 1 . . . . . 128 GLY H . 26636 3 158 . 1 . 1 128 128 GLY N N 15 109.346 0.03 . 1 . . . . . 128 GLY N . 26636 3 159 . 1 . 1 129 129 HIS H H 1 8.382 0.01 . 1 . . . . . 129 HIS H . 26636 3 160 . 1 . 1 129 129 HIS N N 15 119.01 0.03 . 1 . . . . . 129 HIS N . 26636 3 161 . 1 . 1 130 130 LYS H H 1 8.536 0.01 . 1 . . . . . 130 LYS H . 26636 3 162 . 1 . 1 130 130 LYS N N 15 123.857 0.03 . 1 . . . . . 130 LYS N . 26636 3 163 . 1 . 1 131 131 LYS H H 1 8.697 0.01 . 1 . . . . . 131 LYS H . 26636 3 164 . 1 . 1 131 131 LYS N N 15 125.615 0.03 . 1 . . . . . 131 LYS N . 26636 3 165 . 1 . 1 133 133 GLU H H 1 8.855 0.01 . 1 . . . . . 133 GLU H . 26636 3 166 . 1 . 1 133 133 GLU N N 15 121.456 0.03 . 1 . . . . . 133 GLU N . 26636 3 167 . 1 . 1 134 134 ASP H H 1 8.455 0.01 . 1 . . . . . 134 ASP H . 26636 3 168 . 1 . 1 134 134 ASP N N 15 121.94 0.03 . 1 . . . . . 134 ASP N . 26636 3 169 . 1 . 1 135 135 GLY H H 1 8.573 0.01 . 1 . . . . . 135 GLY H . 26636 3 170 . 1 . 1 135 135 GLY N N 15 110.402 0.03 . 1 . . . . . 135 GLY N . 26636 3 171 . 1 . 1 136 136 SER H H 1 8.331 0.01 . 1 . . . . . 136 SER H . 26636 3 172 . 1 . 1 136 136 SER N N 15 116.155 0.03 . 1 . . . . . 136 SER N . 26636 3 173 . 1 . 1 137 137 ALA H H 1 8.428 0.01 . 1 . . . . . 137 ALA H . 26636 3 174 . 1 . 1 137 137 ALA N N 15 126.087 0.03 . 1 . . . . . 137 ALA N . 26636 3 175 . 1 . 1 138 138 VAL H H 1 8.205 0.01 . 1 . . . . . 138 VAL H . 26636 3 176 . 1 . 1 138 138 VAL N N 15 120.223 0.03 . 1 . . . . . 138 VAL N . 26636 3 177 . 1 . 1 139 139 ALA H H 1 8.507 0.01 . 1 . . . . . 139 ALA H . 26636 3 178 . 1 . 1 139 139 ALA N N 15 128.888 0.03 . 1 . . . . . 139 ALA N . 26636 3 179 . 1 . 1 140 140 ALA H H 1 8.419 0.01 . 1 . . . . . 140 ALA H . 26636 3 180 . 1 . 1 140 140 ALA N N 15 124.374 0.03 . 1 . . . . . 140 ALA N . 26636 3 181 . 1 . 1 141 141 ALA H H 1 8.427 0.01 . 1 . . . . . 141 ALA H . 26636 3 182 . 1 . 1 141 141 ALA N N 15 125.611 0.03 . 1 . . . . . 141 ALA N . 26636 3 183 . 1 . 1 144 144 VAL H H 1 8.527 0.01 . 1 . . . . . 144 VAL H . 26636 3 184 . 1 . 1 144 144 VAL N N 15 127.014 0.03 . 1 . . . . . 144 VAL N . 26636 3 185 . 1 . 1 145 145 VAL H H 1 8.629 0.01 . 1 . . . . . 145 VAL H . 26636 3 186 . 1 . 1 145 145 VAL N N 15 128.938 0.03 . 1 . . . . . 145 VAL N . 26636 3 187 . 1 . 1 149 149 VAL H H 1 8.417 0.01 . 1 . . . . . 149 VAL H . 26636 3 188 . 1 . 1 149 149 VAL N N 15 121.427 0.03 . 1 . . . . . 149 VAL N . 26636 3 189 . 1 . 1 150 150 GLU H H 1 8.658 0.01 . 1 . . . . . 150 GLU H . 26636 3 190 . 1 . 1 150 150 GLU N N 15 125.735 0.03 . 1 . . . . . 150 GLU N . 26636 3 191 . 1 . 1 153 153 HIS H H 1 8.647 0.01 . 1 . . . . . 153 HIS H . 26636 3 192 . 1 . 1 153 153 HIS N N 15 118.919 0.03 . 1 . . . . . 153 HIS N . 26636 3 193 . 1 . 1 155 155 VAL H H 1 8.549 0.01 . 1 . . . . . 155 VAL H . 26636 3 194 . 1 . 1 155 155 VAL N N 15 121.704 0.03 . 1 . . . . . 155 VAL N . 26636 3 195 . 1 . 1 156 156 GLU H H 1 8.686 0.01 . 1 . . . . . 156 GLU H . 26636 3 196 . 1 . 1 156 156 GLU N N 15 126.016 0.03 . 1 . . . . . 156 GLU N . 26636 3 197 . 1 . 1 159 159 GLY H H 1 8.65 0.01 . 1 . . . . . 159 GLY H . 26636 3 198 . 1 . 1 159 159 GLY N N 15 110.668 0.03 . 1 . . . . . 159 GLY N . 26636 3 199 . 1 . 1 160 160 ILE H H 1 8.166 0.01 . 1 . . . . . 160 ILE H . 26636 3 200 . 1 . 1 160 160 ILE N N 15 120.575 0.03 . 1 . . . . . 160 ILE N . 26636 3 201 . 1 . 1 168 168 LEU H H 1 8.378 0.01 . 1 . . . . . 168 LEU H . 26636 3 202 . 1 . 1 168 168 LEU N N 15 125.296 0.03 . 1 . . . . . 168 LEU N . 26636 3 203 . 1 . 1 170 170 GLY H H 1 8.686 0.01 . 1 . . . . . 170 GLY H . 26636 3 204 . 1 . 1 170 170 GLY N N 15 109.81 0.03 . 1 . . . . . 170 GLY N . 26636 3 205 . 1 . 1 171 171 TYR H H 1 8.056 0.01 . 1 . . . . . 171 TYR H . 26636 3 206 . 1 . 1 171 171 TYR N N 15 120.976 0.03 . 1 . . . . . 171 TYR N . 26636 3 207 . 1 . 1 172 172 HIS H H 1 8.32 0.01 . 1 . . . . . 172 HIS H . 26636 3 208 . 1 . 1 172 172 HIS N N 15 124.804 0.03 . 1 . . . . . 172 HIS N . 26636 3 209 . 1 . 1 174 174 LYS H H 1 8.698 0.01 . 1 . . . . . 174 LYS H . 26636 3 210 . 1 . 1 174 174 LYS N N 15 122.346 0.03 . 1 . . . . . 174 LYS N . 26636 3 211 . 1 . 1 175 175 THR H H 1 8.435 0.01 . 1 . . . . . 175 THR H . 26636 3 212 . 1 . 1 175 175 THR N N 15 116.42 0.03 . 1 . . . . . 175 THR N . 26636 3 213 . 1 . 1 176 176 THR H H 1 8.393 0.01 . 1 . . . . . 176 THR H . 26636 3 214 . 1 . 1 176 176 THR N N 15 117.421 0.03 . 1 . . . . . 176 THR N . 26636 3 215 . 1 . 1 178 178 GLU H H 1 8.612 0.01 . 1 . . . . . 178 GLU H . 26636 3 216 . 1 . 1 178 178 GLU N N 15 125.048 0.03 . 1 . . . . . 178 GLU N . 26636 3 217 . 1 . 1 183 183 ASP H H 1 8.52 0.01 . 1 . . . . . 183 ASP H . 26636 3 218 . 1 . 1 183 183 ASP N N 15 121.717 0.03 . 1 . . . . . 183 ASP N . 26636 3 219 . 1 . 1 184 184 LYS H H 1 8.322 0.01 . 1 . . . . . 184 LYS H . 26636 3 220 . 1 . 1 184 184 LYS N N 15 121.391 0.03 . 1 . . . . . 184 LYS N . 26636 3 221 . 1 . 1 185 185 GLU H H 1 8.188 0.01 . 1 . . . . . 185 GLU H . 26636 3 222 . 1 . 1 185 185 GLU N N 15 127.635 0.03 . 1 . . . . . 185 GLU N . 26636 3 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_Assignment_277K_6.94pH _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_277K_6.94pH _Assigned_chem_shift_list.Entry_ID 26636 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $277K-6.94pH _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'Maximum deviation taken from repeated manual peak picking on the same spectrum.' _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 4 '2D 1H-15N HSQC' . . . 26636 4 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 $CARA . . 26636 4 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 4 4 GLU H H 1 8.789 0.01 . 1 . . . . . 4 GLU H . 26636 4 2 . 1 . 1 4 4 GLU N N 15 123.889 0.03 . 1 . . . . . 4 GLU N . 26636 4 3 . 1 . 1 5 5 ILE H H 1 8.571 0.01 . 1 . . . . . 5 ILE H . 26636 4 4 . 1 . 1 5 5 ILE N N 15 124.646 0.03 . 1 . . . . . 5 ILE N . 26636 4 5 . 1 . 1 6 6 LYS H H 1 8.649 0.01 . 1 . . . . . 6 LYS H . 26636 4 6 . 1 . 1 6 6 LYS N N 15 127.094 0.03 . 1 . . . . . 6 LYS N . 26636 4 7 . 1 . 1 7 7 ASN H H 1 8.667 0.01 . 1 . . . . . 7 ASN H . 26636 4 8 . 1 . 1 7 7 ASN N N 15 121.146 0.03 . 1 . . . . . 7 ASN N . 26636 4 9 . 1 . 1 10 10 GLU H H 1 8.707 0.01 . 1 . . . . . 10 GLU H . 26636 4 10 . 1 . 1 10 10 GLU N N 15 121.619 0.03 . 1 . . . . . 10 GLU N . 26636 4 11 . 1 . 1 11 11 GLN H H 1 8.552 0.01 . 1 . . . . . 11 GLN H . 26636 4 12 . 1 . 1 11 11 GLN N N 15 121.56 0.03 . 1 . . . . . 11 GLN N . 26636 4 13 . 1 . 1 12 12 GLU H H 1 8.615 0.01 . 1 . . . . . 12 GLU H . 26636 4 14 . 1 . 1 12 12 GLU N N 15 123.499 0.03 . 1 . . . . . 12 GLU N . 26636 4 15 . 1 . 1 13 13 VAL H H 1 8.486 0.01 . 1 . . . . . 13 VAL H . 26636 4 16 . 1 . 1 13 13 VAL N N 15 124.651 0.03 . 1 . . . . . 13 VAL N . 26636 4 17 . 1 . 1 15 15 LYS H H 1 8.621 0.01 . 1 . . . . . 15 LYS H . 26636 4 18 . 1 . 1 15 15 LYS N N 15 123.07 0.03 . 1 . . . . . 15 LYS N . 26636 4 19 . 1 . 1 17 17 ALA H H 1 8.67 0.01 . 1 . . . . . 17 ALA H . 26636 4 20 . 1 . 1 17 17 ALA N N 15 129.236 0.03 . 1 . . . . . 17 ALA N . 26636 4 21 . 1 . 1 18 18 THR H H 1 8.352 0.01 . 1 . . . . . 18 THR H . 26636 4 22 . 1 . 1 18 18 THR N N 15 114.637 0.03 . 1 . . . . . 18 THR N . 26636 4 23 . 1 . 1 19 19 GLU H H 1 8.647 0.01 . 1 . . . . . 19 GLU H . 26636 4 24 . 1 . 1 19 19 GLU N N 15 123.634 0.03 . 1 . . . . . 19 GLU N . 26636 4 25 . 1 . 1 20 20 GLU H H 1 8.655 0.01 . 1 . . . . . 20 GLU H . 26636 4 26 . 1 . 1 20 20 GLU N N 15 122.822 0.03 . 1 . . . . . 20 GLU N . 26636 4 27 . 1 . 1 21 21 SER H H 1 8.589 0.01 . 1 . . . . . 21 SER H . 26636 4 28 . 1 . 1 21 21 SER N N 15 117.729 0.03 . 1 . . . . . 21 SER N . 26636 4 29 . 1 . 1 22 22 SER H H 1 8.558 0.01 . 1 . . . . . 22 SER H . 26636 4 30 . 1 . 1 22 22 SER N N 15 118.601 0.03 . 1 . . . . . 22 SER N . 26636 4 31 . 1 . 1 23 23 ALA H H 1 8.442 0.01 . 1 . . . . . 23 ALA H . 26636 4 32 . 1 . 1 23 23 ALA N N 15 126.298 0.03 . 1 . . . . . 23 ALA N . 26636 4 33 . 1 . 1 24 24 GLU H H 1 8.436 0.01 . 1 . . . . . 24 GLU H . 26636 4 34 . 1 . 1 24 24 GLU N N 15 120.451 0.03 . 1 . . . . . 24 GLU N . 26636 4 35 . 1 . 1 26 26 THR H H 1 8.397 0.01 . 1 . . . . . 26 THR H . 26636 4 36 . 1 . 1 26 26 THR N N 15 118.595 0.03 . 1 . . . . . 26 THR N . 26636 4 37 . 1 . 1 27 27 ASP H H 1 8.482 0.01 . 1 . . . . . 27 ASP H . 26636 4 38 . 1 . 1 27 27 ASP N N 15 123.253 0.03 . 1 . . . . . 27 ASP N . 26636 4 39 . 1 . 1 29 29 GLY H H 1 8.639 0.01 . 1 . . . . . 29 GLY H . 26636 4 40 . 1 . 1 29 29 GLY N N 15 109.508 0.03 . 1 . . . . . 29 GLY N . 26636 4 41 . 1 . 1 30 30 LEU H H 1 8.055 0.01 . 1 . . . . . 30 LEU H . 26636 4 42 . 1 . 1 30 30 LEU N N 15 121.194 0.03 . 1 . . . . . 30 LEU N . 26636 4 43 . 1 . 1 31 31 PHE H H 1 8.242 0.01 . 1 . . . . . 31 PHE H . 26636 4 44 . 1 . 1 31 31 PHE N N 15 119.651 0.03 . 1 . . . . . 31 PHE N . 26636 4 45 . 1 . 1 33 33 PHE H H 1 8.203 0.01 . 1 . . . . . 33 PHE H . 26636 4 46 . 1 . 1 33 33 PHE N N 15 120.539 0.03 . 1 . . . . . 33 PHE N . 26636 4 47 . 1 . 1 35 35 GLY H H 1 8.096 0.01 . 1 . . . . . 35 GLY H . 26636 4 48 . 1 . 1 35 35 GLY N N 15 109.105 0.03 . 1 . . . . . 35 GLY N . 26636 4 49 . 1 . 1 36 36 LYS H H 1 8.163 0.01 . 1 . . . . . 36 LYS H . 26636 4 50 . 1 . 1 36 36 LYS N N 15 121.281 0.03 . 1 . . . . . 36 LYS N . 26636 4 51 . 1 . 1 37 37 LYS H H 1 8.608 0.01 . 1 . . . . . 37 LYS H . 26636 4 52 . 1 . 1 37 37 LYS N N 15 123.787 0.03 . 1 . . . . . 37 LYS N . 26636 4 53 . 1 . 1 38 38 LYS H H 1 8.583 0.01 . 1 . . . . . 38 LYS H . 26636 4 54 . 1 . 1 38 38 LYS N N 15 124.001 0.03 . 1 . . . . . 38 LYS N . 26636 4 55 . 1 . 1 39 39 ASP H H 1 8.561 0.01 . 1 . . . . . 39 ASP H . 26636 4 56 . 1 . 1 39 39 ASP N N 15 122.329 0.03 . 1 . . . . . 39 ASP N . 26636 4 57 . 1 . 1 41 41 THR H H 1 8.454 0.01 . 1 . . . . . 41 THR H . 26636 4 58 . 1 . 1 41 41 THR N N 15 116.429 0.03 . 1 . . . . . 41 THR N . 26636 4 59 . 1 . 1 44 44 GLU H H 1 8.763 0.01 . 1 . . . . . 44 GLU H . 26636 4 60 . 1 . 1 44 44 GLU N N 15 121.575 0.03 . 1 . . . . . 44 GLU N . 26636 4 61 . 1 . 1 46 46 THR H H 1 8.508 0.01 . 1 . . . . . 46 THR H . 26636 4 62 . 1 . 1 46 46 THR N N 15 119.777 0.03 . 1 . . . . . 46 THR N . 26636 4 63 . 1 . 1 49 49 ALA H H 1 8.605 0.01 . 1 . . . . . 49 ALA H . 26636 4 64 . 1 . 1 49 49 ALA N N 15 129.453 0.03 . 1 . . . . . 49 ALA N . 26636 4 65 . 1 . 1 50 50 SER H H 1 8.513 0.01 . 1 . . . . . 50 SER H . 26636 4 66 . 1 . 1 50 50 SER N N 15 116.177 0.03 . 1 . . . . . 50 SER N . 26636 4 67 . 1 . 1 52 52 PHE H H 1 8.251 0.01 . 1 . . . . . 52 PHE H . 26636 4 68 . 1 . 1 52 52 PHE N N 15 120.259 0.03 . 1 . . . . . 52 PHE N . 26636 4 69 . 1 . 1 53 53 GLU H H 1 8.235 0.01 . 1 . . . . . 53 GLU H . 26636 4 70 . 1 . 1 53 53 GLU N N 15 122.527 0.03 . 1 . . . . . 53 GLU N . 26636 4 71 . 1 . 1 54 54 GLN H H 1 8.502 0.01 . 1 . . . . . 54 GLN H . 26636 4 72 . 1 . 1 54 54 GLN N N 15 122.316 0.03 . 1 . . . . . 54 GLN N . 26636 4 73 . 1 . 1 57 57 HIS H H 1 8.74 0.01 . 1 . . . . . 57 HIS H . 26636 4 74 . 1 . 1 57 57 HIS N N 15 124.725 0.03 . 1 . . . . . 57 HIS N . 26636 4 75 . 1 . 1 58 58 ILE H H 1 8.424 0.01 . 1 . . . . . 58 ILE H . 26636 4 76 . 1 . 1 58 58 ILE N N 15 125.097 0.03 . 1 . . . . . 58 ILE N . 26636 4 77 . 1 . 1 59 59 SER H H 1 8.591 0.01 . 1 . . . . . 59 SER H . 26636 4 78 . 1 . 1 59 59 SER N N 15 121.302 0.03 . 1 . . . . . 59 SER N . 26636 4 79 . 1 . 1 60 60 GLU H H 1 8.603 0.01 . 1 . . . . . 60 GLU H . 26636 4 80 . 1 . 1 60 60 GLU N N 15 124.821 0.03 . 1 . . . . . 60 GLU N . 26636 4 81 . 1 . 1 64 64 GLU H H 1 8.656 0.01 . 1 . . . . . 64 GLU H . 26636 4 82 . 1 . 1 64 64 GLU N N 15 122.197 0.03 . 1 . . . . . 64 GLU N . 26636 4 83 . 1 . 1 66 66 LYS H H 1 8.583 0.01 . 1 . . . . . 66 LYS H . 26636 4 84 . 1 . 1 66 66 LYS N N 15 126.426 0.03 . 1 . . . . . 66 LYS N . 26636 4 85 . 1 . 1 67 67 HIS H H 1 8.718 0.01 . 1 . . . . . 67 HIS H . 26636 4 86 . 1 . 1 67 67 HIS N N 15 122.168 0.03 . 1 . . . . . 67 HIS N . 26636 4 87 . 1 . 1 68 68 GLU H H 1 8.731 0.01 . 1 . . . . . 68 GLU H . 26636 4 88 . 1 . 1 68 68 GLU N N 15 123.431 0.03 . 1 . . . . . 68 GLU N . 26636 4 89 . 1 . 1 69 69 SER H H 1 8.747 0.01 . 1 . . . . . 69 SER H . 26636 4 90 . 1 . 1 69 69 SER N N 15 118.489 0.03 . 1 . . . . . 69 SER N . 26636 4 91 . 1 . 1 70 70 LEU H H 1 8.554 0.01 . 1 . . . . . 70 LEU H . 26636 4 92 . 1 . 1 70 70 LEU N N 15 124.396 0.03 . 1 . . . . . 70 LEU N . 26636 4 93 . 1 . 1 71 71 LEU H H 1 8.179 0.01 . 1 . . . . . 71 LEU H . 26636 4 94 . 1 . 1 71 71 LEU N N 15 121.301 0.03 . 1 . . . . . 71 LEU N . 26636 4 95 . 1 . 1 72 72 GLU H H 1 8.21 0.01 . 1 . . . . . 72 GLU H . 26636 4 96 . 1 . 1 72 72 GLU N N 15 121.227 0.03 . 1 . . . . . 72 GLU N . 26636 4 97 . 1 . 1 74 74 LEU H H 1 8.229 0.01 . 1 . . . . . 74 LEU H . 26636 4 98 . 1 . 1 74 74 LEU N N 15 122.327 0.03 . 1 . . . . . 74 LEU N . 26636 4 99 . 1 . 1 75 75 HIS H H 1 8.429 0.01 . 1 . . . . . 75 HIS H . 26636 4 100 . 1 . 1 75 75 HIS N N 15 119.693 0.03 . 1 . . . . . 75 HIS N . 26636 4 101 . 1 . 1 76 76 ARG H H 1 8.462 0.01 . 1 . . . . . 76 ARG H . 26636 4 102 . 1 . 1 76 76 ARG N N 15 123.025 0.03 . 1 . . . . . 76 ARG N . 26636 4 103 . 1 . 1 77 77 SER H H 1 8.626 0.01 . 1 . . . . . 77 SER H . 26636 4 104 . 1 . 1 77 77 SER N N 15 117.452 0.03 . 1 . . . . . 77 SER N . 26636 4 105 . 1 . 1 79 79 SER H H 1 8.446 0.01 . 1 . . . . . 79 SER H . 26636 4 106 . 1 . 1 79 79 SER N N 15 116.614 0.03 . 1 . . . . . 79 SER N . 26636 4 107 . 1 . 1 80 80 SER H H 1 8.546 0.01 . 1 . . . . . 80 SER H . 26636 4 108 . 1 . 1 80 80 SER N N 15 118.355 0.03 . 1 . . . . . 80 SER N . 26636 4 109 . 1 . 1 81 81 SER H H 1 8.476 0.01 . 1 . . . . . 81 SER H . 26636 4 110 . 1 . 1 81 81 SER N N 15 118.02 0.03 . 1 . . . . . 81 SER N . 26636 4 111 . 1 . 1 82 82 SER H H 1 8.508 0.01 . 1 . . . . . 82 SER H . 26636 4 112 . 1 . 1 82 82 SER N N 15 118.211 0.03 . 1 . . . . . 82 SER N . 26636 4 113 . 1 . 1 83 83 SER H H 1 8.538 0.01 . 1 . . . . . 83 SER H . 26636 4 114 . 1 . 1 83 83 SER N N 15 118.307 0.03 . 1 . . . . . 83 SER N . 26636 4 115 . 1 . 1 84 84 SER H H 1 8.535 0.01 . 1 . . . . . 84 SER H . 26636 4 116 . 1 . 1 84 84 SER N N 15 118.298 0.03 . 1 . . . . . 84 SER N . 26636 4 117 . 1 . 1 85 85 SER H H 1 8.533 0.01 . 1 . . . . . 85 SER H . 26636 4 118 . 1 . 1 85 85 SER N N 15 118.311 0.03 . 1 . . . . . 85 SER N . 26636 4 119 . 1 . 1 87 87 GLU H H 1 8.482 0.01 . 1 . . . . . 87 GLU H . 26636 4 120 . 1 . 1 87 87 GLU N N 15 121.596 0.03 . 1 . . . . . 87 GLU N . 26636 4 121 . 1 . 1 89 89 GLY H H 1 8.631 0.01 . 1 . . . . . 89 GLY H . 26636 4 122 . 1 . 1 89 89 GLY N N 15 110.453 0.03 . 1 . . . . . 89 GLY N . 26636 4 123 . 1 . 1 90 90 SER H H 1 8.471 0.01 . 1 . . . . . 90 SER H . 26636 4 124 . 1 . 1 90 90 SER N N 15 116.194 0.03 . 1 . . . . . 90 SER N . 26636 4 125 . 1 . 1 91 91 ASP H H 1 8.693 0.01 . 1 . . . . . 91 ASP H . 26636 4 126 . 1 . 1 91 91 ASP N N 15 122.214 0.03 . 1 . . . . . 91 ASP N . 26636 4 127 . 1 . 1 92 92 GLY H H 1 8.486 0.01 . 1 . . . . . 92 GLY H . 26636 4 128 . 1 . 1 92 92 GLY N N 15 109.089 0.03 . 1 . . . . . 92 GLY N . 26636 4 129 . 1 . 1 102 102 LYS H H 1 8.559 0.01 . 1 . . . . . 102 LYS H . 26636 4 130 . 1 . 1 102 102 LYS N N 15 124.266 0.03 . 1 . . . . . 102 LYS N . 26636 4 131 . 1 . 1 103 103 LYS H H 1 8.645 0.01 . 1 . . . . . 103 LYS H . 26636 4 132 . 1 . 1 103 103 LYS N N 15 125.682 0.03 . 1 . . . . . 103 LYS N . 26636 4 133 . 1 . 1 105 105 THR H H 1 8.577 0.01 . 1 . . . . . 105 THR H . 26636 4 134 . 1 . 1 105 105 THR N N 15 115.67 0.03 . 1 . . . . . 105 THR N . 26636 4 135 . 1 . 1 106 106 THR H H 1 8.287 0.01 . 1 . . . . . 106 THR H . 26636 4 136 . 1 . 1 106 106 THR N N 15 116.431 0.03 . 1 . . . . . 106 THR N . 26636 4 137 . 1 . 1 109 109 GLU H H 1 8.557 0.01 . 1 . . . . . 109 GLU H . 26636 4 138 . 1 . 1 109 109 GLU N N 15 125.724 0.03 . 1 . . . . . 109 GLU N . 26636 4 139 . 1 . 1 110 110 VAL H H 1 8.503 0.01 . 1 . . . . . 110 VAL H . 26636 4 140 . 1 . 1 110 110 VAL N N 15 124.154 0.03 . 1 . . . . . 110 VAL N . 26636 4 141 . 1 . 1 111 111 LYS H H 1 8.606 0.01 . 1 . . . . . 111 LYS H . 26636 4 142 . 1 . 1 111 111 LYS N N 15 126.371 0.03 . 1 . . . . . 111 LYS N . 26636 4 143 . 1 . 1 112 112 GLU H H 1 8.662 0.01 . 1 . . . . . 112 GLU H . 26636 4 144 . 1 . 1 112 112 GLU N N 15 123.413 0.03 . 1 . . . . . 112 GLU N . 26636 4 145 . 1 . 1 113 113 GLU H H 1 8.738 0.01 . 1 . . . . . 113 GLU H . 26636 4 146 . 1 . 1 113 113 GLU N N 15 121.816 0.03 . 1 . . . . . 113 GLU N . 26636 4 147 . 1 . 1 114 114 GLU H H 1 8.455 0.01 . 1 . . . . . 114 GLU H . 26636 4 148 . 1 . 1 114 114 GLU N N 15 122.262 0.03 . 1 . . . . . 114 GLU N . 26636 4 149 . 1 . 1 117 117 GLY H H 1 8.579 0.01 . 1 . . . . . 117 GLY H . 26636 4 150 . 1 . 1 117 117 GLY N N 15 110.05 0.03 . 1 . . . . . 117 GLY N . 26636 4 151 . 1 . 1 118 118 PHE H H 1 8.191 0.01 . 1 . . . . . 118 PHE H . 26636 4 152 . 1 . 1 118 118 PHE N N 15 120.77 0.03 . 1 . . . . . 118 PHE N . 26636 4 153 . 1 . 1 122 122 LEU H H 1 8.238 0.01 . 1 . . . . . 122 LEU H . 26636 4 154 . 1 . 1 122 122 LEU N N 15 123.195 0.03 . 1 . . . . . 122 LEU N . 26636 4 155 . 1 . 1 126 126 LEU H H 1 8.464 0.01 . 1 . . . . . 126 LEU H . 26636 4 156 . 1 . 1 126 126 LEU N N 15 125.459 0.03 . 1 . . . . . 126 LEU N . 26636 4 157 . 1 . 1 128 128 GLY H H 1 8.601 0.01 . 1 . . . . . 128 GLY H . 26636 4 158 . 1 . 1 128 128 GLY N N 15 109.346 0.03 . 1 . . . . . 128 GLY N . 26636 4 159 . 1 . 1 129 129 HIS H H 1 8.329 0.01 . 1 . . . . . 129 HIS H . 26636 4 160 . 1 . 1 129 129 HIS N N 15 119.28 0.03 . 1 . . . . . 129 HIS N . 26636 4 161 . 1 . 1 130 130 LYS H H 1 8.498 0.01 . 1 . . . . . 130 LYS H . 26636 4 162 . 1 . 1 130 130 LYS N N 15 123.857 0.03 . 1 . . . . . 130 LYS N . 26636 4 163 . 1 . 1 131 131 LYS H H 1 8.688 0.01 . 1 . . . . . 131 LYS H . 26636 4 164 . 1 . 1 131 131 LYS N N 15 125.596 0.03 . 1 . . . . . 131 LYS N . 26636 4 165 . 1 . 1 133 133 GLU H H 1 8.855 0.01 . 1 . . . . . 133 GLU H . 26636 4 166 . 1 . 1 133 133 GLU N N 15 121.481 0.03 . 1 . . . . . 133 GLU N . 26636 4 167 . 1 . 1 134 134 ASP H H 1 8.459 0.01 . 1 . . . . . 134 ASP H . 26636 4 168 . 1 . 1 134 134 ASP N N 15 121.941 0.03 . 1 . . . . . 134 ASP N . 26636 4 169 . 1 . 1 135 135 GLY H H 1 8.576 0.01 . 1 . . . . . 135 GLY H . 26636 4 170 . 1 . 1 135 135 GLY N N 15 110.404 0.03 . 1 . . . . . 135 GLY N . 26636 4 171 . 1 . 1 136 136 SER H H 1 8.334 0.01 . 1 . . . . . 136 SER H . 26636 4 172 . 1 . 1 136 136 SER N N 15 116.16 0.03 . 1 . . . . . 136 SER N . 26636 4 173 . 1 . 1 137 137 ALA H H 1 8.429 0.01 . 1 . . . . . 137 ALA H . 26636 4 174 . 1 . 1 137 137 ALA N N 15 126.078 0.03 . 1 . . . . . 137 ALA N . 26636 4 175 . 1 . 1 138 138 VAL H H 1 8.206 0.01 . 1 . . . . . 138 VAL H . 26636 4 176 . 1 . 1 138 138 VAL N N 15 120.216 0.03 . 1 . . . . . 138 VAL N . 26636 4 177 . 1 . 1 139 139 ALA H H 1 8.508 0.01 . 1 . . . . . 139 ALA H . 26636 4 178 . 1 . 1 139 139 ALA N N 15 128.894 0.03 . 1 . . . . . 139 ALA N . 26636 4 179 . 1 . 1 140 140 ALA H H 1 8.421 0.01 . 1 . . . . . 140 ALA H . 26636 4 180 . 1 . 1 140 140 ALA N N 15 124.365 0.03 . 1 . . . . . 140 ALA N . 26636 4 181 . 1 . 1 141 141 ALA H H 1 8.429 0.01 . 1 . . . . . 141 ALA H . 26636 4 182 . 1 . 1 141 141 ALA N N 15 125.611 0.03 . 1 . . . . . 141 ALA N . 26636 4 183 . 1 . 1 144 144 VAL H H 1 8.528 0.01 . 1 . . . . . 144 VAL H . 26636 4 184 . 1 . 1 144 144 VAL N N 15 127.02 0.03 . 1 . . . . . 144 VAL N . 26636 4 185 . 1 . 1 145 145 VAL H H 1 8.631 0.01 . 1 . . . . . 145 VAL H . 26636 4 186 . 1 . 1 145 145 VAL N N 15 128.944 0.03 . 1 . . . . . 145 VAL N . 26636 4 187 . 1 . 1 149 149 VAL H H 1 8.419 0.01 . 1 . . . . . 149 VAL H . 26636 4 188 . 1 . 1 149 149 VAL N N 15 121.43 0.03 . 1 . . . . . 149 VAL N . 26636 4 189 . 1 . 1 150 150 GLU H H 1 8.66 0.01 . 1 . . . . . 150 GLU H . 26636 4 190 . 1 . 1 150 150 GLU N N 15 125.726 0.03 . 1 . . . . . 150 GLU N . 26636 4 191 . 1 . 1 153 153 HIS H H 1 8.616 0.01 . 1 . . . . . 153 HIS H . 26636 4 192 . 1 . 1 153 153 HIS N N 15 119.269 0.03 . 1 . . . . . 153 HIS N . 26636 4 193 . 1 . 1 155 155 VAL H H 1 8.549 0.01 . 1 . . . . . 155 VAL H . 26636 4 194 . 1 . 1 155 155 VAL N N 15 121.676 0.03 . 1 . . . . . 155 VAL N . 26636 4 195 . 1 . 1 156 156 GLU H H 1 8.685 0.01 . 1 . . . . . 156 GLU H . 26636 4 196 . 1 . 1 156 156 GLU N N 15 125.944 0.03 . 1 . . . . . 156 GLU N . 26636 4 197 . 1 . 1 159 159 GLY H H 1 8.651 0.01 . 1 . . . . . 159 GLY H . 26636 4 198 . 1 . 1 159 159 GLY N N 15 110.658 0.03 . 1 . . . . . 159 GLY N . 26636 4 199 . 1 . 1 160 160 ILE H H 1 8.167 0.01 . 1 . . . . . 160 ILE H . 26636 4 200 . 1 . 1 160 160 ILE N N 15 120.568 0.03 . 1 . . . . . 160 ILE N . 26636 4 201 . 1 . 1 168 168 LEU H H 1 8.392 0.01 . 1 . . . . . 168 LEU H . 26636 4 202 . 1 . 1 168 168 LEU N N 15 125.368 0.03 . 1 . . . . . 168 LEU N . 26636 4 203 . 1 . 1 170 170 GLY H H 1 8.693 0.01 . 1 . . . . . 170 GLY H . 26636 4 204 . 1 . 1 170 170 GLY N N 15 109.841 0.03 . 1 . . . . . 170 GLY N . 26636 4 205 . 1 . 1 171 171 TYR H H 1 8.05 0.01 . 1 . . . . . 171 TYR H . 26636 4 206 . 1 . 1 171 171 TYR N N 15 120.912 0.03 . 1 . . . . . 171 TYR N . 26636 4 207 . 1 . 1 172 172 HIS H H 1 8.307 0.01 . 1 . . . . . 172 HIS H . 26636 4 208 . 1 . 1 172 172 HIS N N 15 124.964 0.03 . 1 . . . . . 172 HIS N . 26636 4 209 . 1 . 1 174 174 LYS H H 1 8.713 0.01 . 1 . . . . . 174 LYS H . 26636 4 210 . 1 . 1 174 174 LYS N N 15 122.321 0.03 . 1 . . . . . 174 LYS N . 26636 4 211 . 1 . 1 175 175 THR H H 1 8.435 0.01 . 1 . . . . . 175 THR H . 26636 4 212 . 1 . 1 175 175 THR N N 15 116.429 0.03 . 1 . . . . . 175 THR N . 26636 4 213 . 1 . 1 176 176 THR H H 1 8.396 0.01 . 1 . . . . . 176 THR H . 26636 4 214 . 1 . 1 176 176 THR N N 15 117.492 0.03 . 1 . . . . . 176 THR N . 26636 4 215 . 1 . 1 178 178 GLU H H 1 8.619 0.01 . 1 . . . . . 178 GLU H . 26636 4 216 . 1 . 1 178 178 GLU N N 15 125.108 0.03 . 1 . . . . . 178 GLU N . 26636 4 217 . 1 . 1 183 183 ASP H H 1 8.523 0.01 . 1 . . . . . 183 ASP H . 26636 4 218 . 1 . 1 183 183 ASP N N 15 121.73 0.03 . 1 . . . . . 183 ASP N . 26636 4 219 . 1 . 1 184 184 LYS H H 1 8.327 0.01 . 1 . . . . . 184 LYS H . 26636 4 220 . 1 . 1 184 184 LYS N N 15 121.404 0.03 . 1 . . . . . 184 LYS N . 26636 4 221 . 1 . 1 185 185 GLU H H 1 8.191 0.01 . 1 . . . . . 185 GLU H . 26636 4 222 . 1 . 1 185 185 GLU N N 15 127.648 0.03 . 1 . . . . . 185 GLU N . 26636 4 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_Assignment_277K_7.29pH _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_277K_7.29pH _Assigned_chem_shift_list.Entry_ID 26636 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 5 _Assigned_chem_shift_list.Sample_condition_list_label $277K-7.29pH _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'Maximum deviation taken from repeated manual peak picking on the same spectrum.' _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 5 '2D 1H-15N HSQC' . . . 26636 5 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 $CARA . . 26636 5 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 4 4 GLU H H 1 8.788 0.01 . 1 . . . . . 4 GLU H . 26636 5 2 . 1 . 1 4 4 GLU N N 15 123.886 0.03 . 1 . . . . . 4 GLU N . 26636 5 3 . 1 . 1 5 5 ILE H H 1 8.57 0.01 . 1 . . . . . 5 ILE H . 26636 5 4 . 1 . 1 5 5 ILE N N 15 124.646 0.03 . 1 . . . . . 5 ILE N . 26636 5 5 . 1 . 1 6 6 LYS H H 1 8.648 0.01 . 1 . . . . . 6 LYS H . 26636 5 6 . 1 . 1 6 6 LYS N N 15 127.091 0.03 . 1 . . . . . 6 LYS N . 26636 5 7 . 1 . 1 7 7 ASN H H 1 8.667 0.01 . 1 . . . . . 7 ASN H . 26636 5 8 . 1 . 1 7 7 ASN N N 15 121.14 0.03 . 1 . . . . . 7 ASN N . 26636 5 9 . 1 . 1 10 10 GLU H H 1 8.706 0.01 . 1 . . . . . 10 GLU H . 26636 5 10 . 1 . 1 10 10 GLU N N 15 121.613 0.03 . 1 . . . . . 10 GLU N . 26636 5 11 . 1 . 1 11 11 GLN H H 1 8.55 0.01 . 1 . . . . . 11 GLN H . 26636 5 12 . 1 . 1 11 11 GLN N N 15 121.572 0.03 . 1 . . . . . 11 GLN N . 26636 5 13 . 1 . 1 12 12 GLU H H 1 8.614 0.01 . 1 . . . . . 12 GLU H . 26636 5 14 . 1 . 1 12 12 GLU N N 15 123.505 0.03 . 1 . . . . . 12 GLU N . 26636 5 15 . 1 . 1 13 13 VAL H H 1 8.486 0.01 . 1 . . . . . 13 VAL H . 26636 5 16 . 1 . 1 13 13 VAL N N 15 124.657 0.03 . 1 . . . . . 13 VAL N . 26636 5 17 . 1 . 1 15 15 LYS H H 1 8.62 0.01 . 1 . . . . . 15 LYS H . 26636 5 18 . 1 . 1 15 15 LYS N N 15 123.07 0.03 . 1 . . . . . 15 LYS N . 26636 5 19 . 1 . 1 17 17 ALA H H 1 8.669 0.01 . 1 . . . . . 17 ALA H . 26636 5 20 . 1 . 1 17 17 ALA N N 15 129.236 0.03 . 1 . . . . . 17 ALA N . 26636 5 21 . 1 . 1 18 18 THR H H 1 8.352 0.01 . 1 . . . . . 18 THR H . 26636 5 22 . 1 . 1 18 18 THR N N 15 114.646 0.03 . 1 . . . . . 18 THR N . 26636 5 23 . 1 . 1 19 19 GLU H H 1 8.646 0.01 . 1 . . . . . 19 GLU H . 26636 5 24 . 1 . 1 19 19 GLU N N 15 123.64 0.03 . 1 . . . . . 19 GLU N . 26636 5 25 . 1 . 1 20 20 GLU H H 1 8.654 0.01 . 1 . . . . . 20 GLU H . 26636 5 26 . 1 . 1 20 20 GLU N N 15 122.822 0.03 . 1 . . . . . 20 GLU N . 26636 5 27 . 1 . 1 21 21 SER H H 1 8.588 0.01 . 1 . . . . . 21 SER H . 26636 5 28 . 1 . 1 21 21 SER N N 15 117.724 0.03 . 1 . . . . . 21 SER N . 26636 5 29 . 1 . 1 22 22 SER H H 1 8.559 0.01 . 1 . . . . . 22 SER H . 26636 5 30 . 1 . 1 22 22 SER N N 15 118.606 0.03 . 1 . . . . . 22 SER N . 26636 5 31 . 1 . 1 23 23 ALA H H 1 8.443 0.01 . 1 . . . . . 23 ALA H . 26636 5 32 . 1 . 1 23 23 ALA N N 15 126.298 0.03 . 1 . . . . . 23 ALA N . 26636 5 33 . 1 . 1 24 24 GLU H H 1 8.437 0.01 . 1 . . . . . 24 GLU H . 26636 5 34 . 1 . 1 24 24 GLU N N 15 120.451 0.03 . 1 . . . . . 24 GLU N . 26636 5 35 . 1 . 1 26 26 THR H H 1 8.396 0.01 . 1 . . . . . 26 THR H . 26636 5 36 . 1 . 1 26 26 THR N N 15 118.598 0.03 . 1 . . . . . 26 THR N . 26636 5 37 . 1 . 1 27 27 ASP H H 1 8.481 0.01 . 1 . . . . . 27 ASP H . 26636 5 38 . 1 . 1 27 27 ASP N N 15 123.249 0.03 . 1 . . . . . 27 ASP N . 26636 5 39 . 1 . 1 29 29 GLY H H 1 8.643 0.01 . 1 . . . . . 29 GLY H . 26636 5 40 . 1 . 1 29 29 GLY N N 15 109.512 0.03 . 1 . . . . . 29 GLY N . 26636 5 41 . 1 . 1 30 30 LEU H H 1 8.054 0.01 . 1 . . . . . 30 LEU H . 26636 5 42 . 1 . 1 30 30 LEU N N 15 121.194 0.03 . 1 . . . . . 30 LEU N . 26636 5 43 . 1 . 1 31 31 PHE H H 1 8.241 0.01 . 1 . . . . . 31 PHE H . 26636 5 44 . 1 . 1 31 31 PHE N N 15 119.644 0.03 . 1 . . . . . 31 PHE N . 26636 5 45 . 1 . 1 33 33 PHE H H 1 8.203 0.01 . 1 . . . . . 33 PHE H . 26636 5 46 . 1 . 1 33 33 PHE N N 15 120.54 0.03 . 1 . . . . . 33 PHE N . 26636 5 47 . 1 . 1 35 35 GLY H H 1 8.094 0.01 . 1 . . . . . 35 GLY H . 26636 5 48 . 1 . 1 35 35 GLY N N 15 109.101 0.03 . 1 . . . . . 35 GLY N . 26636 5 49 . 1 . 1 36 36 LYS H H 1 8.164 0.01 . 1 . . . . . 36 LYS H . 26636 5 50 . 1 . 1 36 36 LYS N N 15 121.278 0.03 . 1 . . . . . 36 LYS N . 26636 5 51 . 1 . 1 37 37 LYS H H 1 8.605 0.01 . 1 . . . . . 37 LYS H . 26636 5 52 . 1 . 1 37 37 LYS N N 15 123.718 0.03 . 1 . . . . . 37 LYS N . 26636 5 53 . 1 . 1 38 38 LYS H H 1 8.583 0.01 . 1 . . . . . 38 LYS H . 26636 5 54 . 1 . 1 38 38 LYS N N 15 124.001 0.03 . 1 . . . . . 38 LYS N . 26636 5 55 . 1 . 1 39 39 ASP H H 1 8.56 0.01 . 1 . . . . . 39 ASP H . 26636 5 56 . 1 . 1 39 39 ASP N N 15 122.335 0.03 . 1 . . . . . 39 ASP N . 26636 5 57 . 1 . 1 41 41 THR H H 1 8.455 0.01 . 1 . . . . . 41 THR H . 26636 5 58 . 1 . 1 41 41 THR N N 15 116.425 0.03 . 1 . . . . . 41 THR N . 26636 5 59 . 1 . 1 44 44 GLU H H 1 8.762 0.01 . 1 . . . . . 44 GLU H . 26636 5 60 . 1 . 1 44 44 GLU N N 15 121.572 0.03 . 1 . . . . . 44 GLU N . 26636 5 61 . 1 . 1 46 46 THR H H 1 8.508 0.01 . 1 . . . . . 46 THR H . 26636 5 62 . 1 . 1 46 46 THR N N 15 119.787 0.03 . 1 . . . . . 46 THR N . 26636 5 63 . 1 . 1 49 49 ALA H H 1 8.604 0.01 . 1 . . . . . 49 ALA H . 26636 5 64 . 1 . 1 49 49 ALA N N 15 129.459 0.03 . 1 . . . . . 49 ALA N . 26636 5 65 . 1 . 1 50 50 SER H H 1 8.513 0.01 . 1 . . . . . 50 SER H . 26636 5 66 . 1 . 1 50 50 SER N N 15 116.186 0.03 . 1 . . . . . 50 SER N . 26636 5 67 . 1 . 1 52 52 PHE H H 1 8.251 0.01 . 1 . . . . . 52 PHE H . 26636 5 68 . 1 . 1 52 52 PHE N N 15 120.262 0.03 . 1 . . . . . 52 PHE N . 26636 5 69 . 1 . 1 53 53 GLU H H 1 8.237 0.01 . 1 . . . . . 53 GLU H . 26636 5 70 . 1 . 1 53 53 GLU N N 15 122.554 0.03 . 1 . . . . . 53 GLU N . 26636 5 71 . 1 . 1 54 54 GLN H H 1 8.503 0.01 . 1 . . . . . 54 GLN H . 26636 5 72 . 1 . 1 54 54 GLN N N 15 122.36 0.03 . 1 . . . . . 54 GLN N . 26636 5 73 . 1 . 1 57 57 HIS H H 1 8.708 0.01 . 1 . . . . . 57 HIS H . 26636 5 74 . 1 . 1 57 57 HIS N N 15 125.001 0.03 . 1 . . . . . 57 HIS N . 26636 5 75 . 1 . 1 58 58 ILE H H 1 8.388 0.01 . 1 . . . . . 58 ILE H . 26636 5 76 . 1 . 1 58 58 ILE N N 15 125.1 0.03 . 1 . . . . . 58 ILE N . 26636 5 77 . 1 . 1 59 59 SER H H 1 8.58 0.01 . 1 . . . . . 59 SER H . 26636 5 78 . 1 . 1 59 59 SER N N 15 121.317 0.03 . 1 . . . . . 59 SER N . 26636 5 79 . 1 . 1 60 60 GLU H H 1 8.602 0.01 . 1 . . . . . 60 GLU H . 26636 5 80 . 1 . 1 60 60 GLU N N 15 124.817 0.03 . 1 . . . . . 60 GLU N . 26636 5 81 . 1 . 1 64 64 GLU H H 1 8.654 0.01 . 1 . . . . . 64 GLU H . 26636 5 82 . 1 . 1 64 64 GLU N N 15 122.197 0.03 . 1 . . . . . 64 GLU N . 26636 5 83 . 1 . 1 66 66 LYS H H 1 8.585 0.01 . 1 . . . . . 66 LYS H . 26636 5 84 . 1 . 1 66 66 LYS N N 15 126.512 0.03 . 1 . . . . . 66 LYS N . 26636 5 85 . 1 . 1 67 67 HIS H H 1 8.674 0.01 . 1 . . . . . 67 HIS H . 26636 5 86 . 1 . 1 67 67 HIS N N 15 122.384 0.03 . 1 . . . . . 67 HIS N . 26636 5 87 . 1 . 1 68 68 GLU H H 1 8.705 0.01 . 1 . . . . . 68 GLU H . 26636 5 88 . 1 . 1 68 68 GLU N N 15 123.424 0.03 . 1 . . . . . 68 GLU N . 26636 5 89 . 1 . 1 69 69 SER H H 1 8.736 0.01 . 1 . . . . . 69 SER H . 26636 5 90 . 1 . 1 69 69 SER N N 15 118.378 0.03 . 1 . . . . . 69 SER N . 26636 5 91 . 1 . 1 70 70 LEU H H 1 8.532 0.01 . 1 . . . . . 70 LEU H . 26636 5 92 . 1 . 1 70 70 LEU N N 15 124.364 0.03 . 1 . . . . . 70 LEU N . 26636 5 93 . 1 . 1 71 71 LEU H H 1 8.172 0.01 . 1 . . . . . 71 LEU H . 26636 5 94 . 1 . 1 71 71 LEU N N 15 121.376 0.03 . 1 . . . . . 71 LEU N . 26636 5 95 . 1 . 1 72 72 GLU H H 1 8.223 0.01 . 1 . . . . . 72 GLU H . 26636 5 96 . 1 . 1 72 72 GLU N N 15 121.234 0.03 . 1 . . . . . 72 GLU N . 26636 5 97 . 1 . 1 74 74 LEU H H 1 8.236 0.01 . 1 . . . . . 74 LEU H . 26636 5 98 . 1 . 1 74 74 LEU N N 15 122.473 0.03 . 1 . . . . . 74 LEU N . 26636 5 99 . 1 . 1 75 75 HIS H H 1 8.411 0.01 . 1 . . . . . 75 HIS H . 26636 5 100 . 1 . 1 75 75 HIS N N 15 119.999 0.03 . 1 . . . . . 75 HIS N . 26636 5 101 . 1 . 1 76 76 ARG H H 1 8.45 0.01 . 1 . . . . . 76 ARG H . 26636 5 102 . 1 . 1 76 76 ARG N N 15 123.069 0.03 . 1 . . . . . 76 ARG N . 26636 5 103 . 1 . 1 77 77 SER H H 1 8.629 0.01 . 1 . . . . . 77 SER H . 26636 5 104 . 1 . 1 77 77 SER N N 15 117.525 0.03 . 1 . . . . . 77 SER N . 26636 5 105 . 1 . 1 79 79 SER H H 1 8.446 0.01 . 1 . . . . . 79 SER H . 26636 5 106 . 1 . 1 79 79 SER N N 15 116.642 0.03 . 1 . . . . . 79 SER N . 26636 5 107 . 1 . 1 80 80 SER H H 1 8.548 0.01 . 1 . . . . . 80 SER H . 26636 5 108 . 1 . 1 80 80 SER N N 15 118.373 0.03 . 1 . . . . . 80 SER N . 26636 5 109 . 1 . 1 81 81 SER H H 1 8.479 0.01 . 1 . . . . . 81 SER H . 26636 5 110 . 1 . 1 81 81 SER N N 15 118.037 0.03 . 1 . . . . . 81 SER N . 26636 5 111 . 1 . 1 82 82 SER H H 1 8.51 0.01 . 1 . . . . . 82 SER H . 26636 5 112 . 1 . 1 82 82 SER N N 15 118.214 0.03 . 1 . . . . . 82 SER N . 26636 5 113 . 1 . 1 83 83 SER H H 1 8.542 0.01 . 1 . . . . . 83 SER H . 26636 5 114 . 1 . 1 83 83 SER N N 15 118.317 0.03 . 1 . . . . . 83 SER N . 26636 5 115 . 1 . 1 84 84 SER H H 1 8.536 0.01 . 1 . . . . . 84 SER H . 26636 5 116 . 1 . 1 84 84 SER N N 15 118.296 0.03 . 1 . . . . . 84 SER N . 26636 5 117 . 1 . 1 85 85 SER H H 1 8.537 0.01 . 1 . . . . . 85 SER H . 26636 5 118 . 1 . 1 85 85 SER N N 15 118.315 0.03 . 1 . . . . . 85 SER N . 26636 5 119 . 1 . 1 87 87 GLU H H 1 8.483 0.01 . 1 . . . . . 87 GLU H . 26636 5 120 . 1 . 1 87 87 GLU N N 15 121.604 0.03 . 1 . . . . . 87 GLU N . 26636 5 121 . 1 . 1 89 89 GLY H H 1 8.634 0.01 . 1 . . . . . 89 GLY H . 26636 5 122 . 1 . 1 89 89 GLY N N 15 110.459 0.03 . 1 . . . . . 89 GLY N . 26636 5 123 . 1 . 1 90 90 SER H H 1 8.472 0.01 . 1 . . . . . 90 SER H . 26636 5 124 . 1 . 1 90 90 SER N N 15 116.194 0.03 . 1 . . . . . 90 SER N . 26636 5 125 . 1 . 1 91 91 ASP H H 1 8.691 0.01 . 1 . . . . . 91 ASP H . 26636 5 126 . 1 . 1 91 91 ASP N N 15 122.226 0.03 . 1 . . . . . 91 ASP N . 26636 5 127 . 1 . 1 92 92 GLY H H 1 8.485 0.01 . 1 . . . . . 92 GLY H . 26636 5 128 . 1 . 1 92 92 GLY N N 15 109.095 0.03 . 1 . . . . . 92 GLY N . 26636 5 129 . 1 . 1 102 102 LYS H H 1 8.559 0.01 . 1 . . . . . 102 LYS H . 26636 5 130 . 1 . 1 102 102 LYS N N 15 124.266 0.03 . 1 . . . . . 102 LYS N . 26636 5 131 . 1 . 1 103 103 LYS H H 1 8.646 0.01 . 1 . . . . . 103 LYS H . 26636 5 132 . 1 . 1 103 103 LYS N N 15 125.667 0.03 . 1 . . . . . 103 LYS N . 26636 5 133 . 1 . 1 105 105 THR H H 1 8.58 0.01 . 1 . . . . . 105 THR H . 26636 5 134 . 1 . 1 105 105 THR N N 15 115.703 0.03 . 1 . . . . . 105 THR N . 26636 5 135 . 1 . 1 106 106 THR H H 1 8.289 0.01 . 1 . . . . . 106 THR H . 26636 5 136 . 1 . 1 106 106 THR N N 15 116.464 0.03 . 1 . . . . . 106 THR N . 26636 5 137 . 1 . 1 109 109 GLU H H 1 8.56 0.01 . 1 . . . . . 109 GLU H . 26636 5 138 . 1 . 1 109 109 GLU N N 15 125.742 0.03 . 1 . . . . . 109 GLU N . 26636 5 139 . 1 . 1 110 110 VAL H H 1 8.505 0.01 . 1 . . . . . 110 VAL H . 26636 5 140 . 1 . 1 110 110 VAL N N 15 124.166 0.03 . 1 . . . . . 110 VAL N . 26636 5 141 . 1 . 1 111 111 LYS H H 1 8.606 0.01 . 1 . . . . . 111 LYS H . 26636 5 142 . 1 . 1 111 111 LYS N N 15 126.379 0.03 . 1 . . . . . 111 LYS N . 26636 5 143 . 1 . 1 112 112 GLU H H 1 8.664 0.01 . 1 . . . . . 112 GLU H . 26636 5 144 . 1 . 1 112 112 GLU N N 15 123.423 0.03 . 1 . . . . . 112 GLU N . 26636 5 145 . 1 . 1 113 113 GLU H H 1 8.737 0.01 . 1 . . . . . 113 GLU H . 26636 5 146 . 1 . 1 113 113 GLU N N 15 121.815 0.03 . 1 . . . . . 113 GLU N . 26636 5 147 . 1 . 1 114 114 GLU H H 1 8.453 0.01 . 1 . . . . . 114 GLU H . 26636 5 148 . 1 . 1 114 114 GLU N N 15 122.273 0.03 . 1 . . . . . 114 GLU N . 26636 5 149 . 1 . 1 117 117 GLY H H 1 8.58 0.01 . 1 . . . . . 117 GLY H . 26636 5 150 . 1 . 1 117 117 GLY N N 15 110.052 0.03 . 1 . . . . . 117 GLY N . 26636 5 151 . 1 . 1 118 118 PHE H H 1 8.191 0.01 . 1 . . . . . 118 PHE H . 26636 5 152 . 1 . 1 118 118 PHE N N 15 120.761 0.03 . 1 . . . . . 118 PHE N . 26636 5 153 . 1 . 1 122 122 LEU H H 1 8.24 0.01 . 1 . . . . . 122 LEU H . 26636 5 154 . 1 . 1 122 122 LEU N N 15 123.206 0.03 . 1 . . . . . 122 LEU N . 26636 5 155 . 1 . 1 126 126 LEU H H 1 8.467 0.01 . 1 . . . . . 126 LEU H . 26636 5 156 . 1 . 1 126 126 LEU N N 15 125.48 0.03 . 1 . . . . . 126 LEU N . 26636 5 157 . 1 . 1 128 128 GLY H H 1 8.602 0.01 . 1 . . . . . 128 GLY H . 26636 5 158 . 1 . 1 128 128 GLY N N 15 109.346 0.03 . 1 . . . . . 128 GLY N . 26636 5 159 . 1 . 1 129 129 HIS H H 1 8.281 0.01 . 1 . . . . . 129 HIS H . 26636 5 160 . 1 . 1 129 129 HIS N N 15 119.501 0.03 . 1 . . . . . 129 HIS N . 26636 5 161 . 1 . 1 130 130 LYS H H 1 8.459 0.01 . 1 . . . . . 130 LYS H . 26636 5 162 . 1 . 1 130 130 LYS N N 15 123.857 0.03 . 1 . . . . . 130 LYS N . 26636 5 163 . 1 . 1 131 131 LYS H H 1 8.678 0.01 . 1 . . . . . 131 LYS H . 26636 5 164 . 1 . 1 131 131 LYS N N 15 125.575 0.03 . 1 . . . . . 131 LYS N . 26636 5 165 . 1 . 1 133 133 GLU H H 1 8.854 0.01 . 1 . . . . . 133 GLU H . 26636 5 166 . 1 . 1 133 133 GLU N N 15 121.49 0.03 . 1 . . . . . 133 GLU N . 26636 5 167 . 1 . 1 134 134 ASP H H 1 8.461 0.01 . 1 . . . . . 134 ASP H . 26636 5 168 . 1 . 1 134 134 ASP N N 15 121.949 0.03 . 1 . . . . . 134 ASP N . 26636 5 169 . 1 . 1 135 135 GLY H H 1 8.574 0.01 . 1 . . . . . 135 GLY H . 26636 5 170 . 1 . 1 135 135 GLY N N 15 110.41 0.03 . 1 . . . . . 135 GLY N . 26636 5 171 . 1 . 1 136 136 SER H H 1 8.334 0.01 . 1 . . . . . 136 SER H . 26636 5 172 . 1 . 1 136 136 SER N N 15 116.16 0.03 . 1 . . . . . 136 SER N . 26636 5 173 . 1 . 1 137 137 ALA H H 1 8.428 0.01 . 1 . . . . . 137 ALA H . 26636 5 174 . 1 . 1 137 137 ALA N N 15 126.069 0.03 . 1 . . . . . 137 ALA N . 26636 5 175 . 1 . 1 138 138 VAL H H 1 8.204 0.01 . 1 . . . . . 138 VAL H . 26636 5 176 . 1 . 1 138 138 VAL N N 15 120.204 0.03 . 1 . . . . . 138 VAL N . 26636 5 177 . 1 . 1 139 139 ALA H H 1 8.508 0.01 . 1 . . . . . 139 ALA H . 26636 5 178 . 1 . 1 139 139 ALA N N 15 128.885 0.03 . 1 . . . . . 139 ALA N . 26636 5 179 . 1 . 1 140 140 ALA H H 1 8.42 0.01 . 1 . . . . . 140 ALA H . 26636 5 180 . 1 . 1 140 140 ALA N N 15 124.356 0.03 . 1 . . . . . 140 ALA N . 26636 5 181 . 1 . 1 141 141 ALA H H 1 8.427 0.01 . 1 . . . . . 141 ALA H . 26636 5 182 . 1 . 1 141 141 ALA N N 15 125.608 0.03 . 1 . . . . . 141 ALA N . 26636 5 183 . 1 . 1 144 144 VAL H H 1 8.528 0.01 . 1 . . . . . 144 VAL H . 26636 5 184 . 1 . 1 144 144 VAL N N 15 127.011 0.03 . 1 . . . . . 144 VAL N . 26636 5 185 . 1 . 1 145 145 VAL H H 1 8.63 0.01 . 1 . . . . . 145 VAL H . 26636 5 186 . 1 . 1 145 145 VAL N N 15 128.935 0.03 . 1 . . . . . 145 VAL N . 26636 5 187 . 1 . 1 149 149 VAL H H 1 8.418 0.01 . 1 . . . . . 149 VAL H . 26636 5 188 . 1 . 1 149 149 VAL N N 15 121.418 0.03 . 1 . . . . . 149 VAL N . 26636 5 189 . 1 . 1 150 150 GLU H H 1 8.661 0.01 . 1 . . . . . 150 GLU H . 26636 5 190 . 1 . 1 150 150 GLU N N 15 125.706 0.03 . 1 . . . . . 150 GLU N . 26636 5 191 . 1 . 1 153 153 HIS H H 1 8.578 0.01 . 1 . . . . . 153 HIS H . 26636 5 192 . 1 . 1 153 153 HIS N N 15 119.658 0.03 . 1 . . . . . 153 HIS N . 26636 5 193 . 1 . 1 155 155 VAL H H 1 8.548 0.01 . 1 . . . . . 155 VAL H . 26636 5 194 . 1 . 1 155 155 VAL N N 15 121.649 0.03 . 1 . . . . . 155 VAL N . 26636 5 195 . 1 . 1 156 156 GLU H H 1 8.682 0.01 . 1 . . . . . 156 GLU H . 26636 5 196 . 1 . 1 156 156 GLU N N 15 125.86 0.03 . 1 . . . . . 156 GLU N . 26636 5 197 . 1 . 1 159 159 GLY H H 1 8.652 0.01 . 1 . . . . . 159 GLY H . 26636 5 198 . 1 . 1 159 159 GLY N N 15 110.636 0.03 . 1 . . . . . 159 GLY N . 26636 5 199 . 1 . 1 160 160 ILE H H 1 8.165 0.01 . 1 . . . . . 160 ILE H . 26636 5 200 . 1 . 1 160 160 ILE N N 15 120.562 0.03 . 1 . . . . . 160 ILE N . 26636 5 201 . 1 . 1 168 168 LEU H H 1 8.399 0.01 . 1 . . . . . 168 LEU H . 26636 5 202 . 1 . 1 168 168 LEU N N 15 125.425 0.03 . 1 . . . . . 168 LEU N . 26636 5 203 . 1 . 1 170 170 GLY H H 1 8.692 0.01 . 1 . . . . . 170 GLY H . 26636 5 204 . 1 . 1 170 170 GLY N N 15 109.843 0.03 . 1 . . . . . 170 GLY N . 26636 5 205 . 1 . 1 171 171 TYR H H 1 8.044 0.01 . 1 . . . . . 171 TYR H . 26636 5 206 . 1 . 1 171 171 TYR N N 15 120.847 0.03 . 1 . . . . . 171 TYR N . 26636 5 207 . 1 . 1 172 172 HIS H H 1 8.288 0.01 . 1 . . . . . 172 HIS H . 26636 5 208 . 1 . 1 172 172 HIS N N 15 125.109 0.03 . 1 . . . . . 172 HIS N . 26636 5 209 . 1 . 1 174 174 LYS H H 1 8.723 0.01 . 1 . . . . . 174 LYS H . 26636 5 210 . 1 . 1 174 174 LYS N N 15 122.297 0.03 . 1 . . . . . 174 LYS N . 26636 5 211 . 1 . 1 175 175 THR H H 1 8.435 0.01 . 1 . . . . . 175 THR H . 26636 5 212 . 1 . 1 175 175 THR N N 15 116.429 0.03 . 1 . . . . . 175 THR N . 26636 5 213 . 1 . 1 176 176 THR H H 1 8.396 0.01 . 1 . . . . . 176 THR H . 26636 5 214 . 1 . 1 176 176 THR N N 15 117.544 0.03 . 1 . . . . . 176 THR N . 26636 5 215 . 1 . 1 178 178 GLU H H 1 8.622 0.01 . 1 . . . . . 178 GLU H . 26636 5 216 . 1 . 1 178 178 GLU N N 15 125.149 0.03 . 1 . . . . . 178 GLU N . 26636 5 217 . 1 . 1 183 183 ASP H H 1 8.523 0.01 . 1 . . . . . 183 ASP H . 26636 5 218 . 1 . 1 183 183 ASP N N 15 121.738 0.03 . 1 . . . . . 183 ASP N . 26636 5 219 . 1 . 1 184 184 LYS H H 1 8.329 0.01 . 1 . . . . . 184 LYS H . 26636 5 220 . 1 . 1 184 184 LYS N N 15 121.406 0.03 . 1 . . . . . 184 LYS N . 26636 5 221 . 1 . 1 185 185 GLU H H 1 8.19 0.01 . 1 . . . . . 185 GLU H . 26636 5 222 . 1 . 1 185 185 GLU N N 15 127.65 0.03 . 1 . . . . . 185 GLU N . 26636 5 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_Assignment_277K_7.42pH _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_277K_7.42pH _Assigned_chem_shift_list.Entry_ID 26636 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 6 _Assigned_chem_shift_list.Sample_condition_list_label $277K-7.42pH _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'Maximum deviation taken from repeated manual peak picking on the same spectrum.' _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 6 '2D 1H-15N HSQC' . . . 26636 6 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 $CARA . . 26636 6 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 4 4 GLU H H 1 8.785 0.01 . 1 . . . . . 4 GLU H . 26636 6 2 . 1 . 1 4 4 GLU N N 15 123.873 0.03 . 1 . . . . . 4 GLU N . 26636 6 3 . 1 . 1 5 5 ILE H H 1 8.569 0.01 . 1 . . . . . 5 ILE H . 26636 6 4 . 1 . 1 5 5 ILE N N 15 124.646 0.03 . 1 . . . . . 5 ILE N . 26636 6 5 . 1 . 1 6 6 LYS H H 1 8.647 0.01 . 1 . . . . . 6 LYS H . 26636 6 6 . 1 . 1 6 6 LYS N N 15 127.088 0.03 . 1 . . . . . 6 LYS N . 26636 6 7 . 1 . 1 7 7 ASN H H 1 8.666 0.01 . 1 . . . . . 7 ASN H . 26636 6 8 . 1 . 1 7 7 ASN N N 15 121.143 0.03 . 1 . . . . . 7 ASN N . 26636 6 9 . 1 . 1 10 10 GLU H H 1 8.706 0.01 . 1 . . . . . 10 GLU H . 26636 6 10 . 1 . 1 10 10 GLU N N 15 121.62 0.03 . 1 . . . . . 10 GLU N . 26636 6 11 . 1 . 1 11 11 GLN H H 1 8.55 0.01 . 1 . . . . . 11 GLN H . 26636 6 12 . 1 . 1 11 11 GLN N N 15 121.572 0.03 . 1 . . . . . 11 GLN N . 26636 6 13 . 1 . 1 12 12 GLU H H 1 8.614 0.01 . 1 . . . . . 12 GLU H . 26636 6 14 . 1 . 1 12 12 GLU N N 15 123.505 0.03 . 1 . . . . . 12 GLU N . 26636 6 15 . 1 . 1 13 13 VAL H H 1 8.486 0.01 . 1 . . . . . 13 VAL H . 26636 6 16 . 1 . 1 13 13 VAL N N 15 124.661 0.03 . 1 . . . . . 13 VAL N . 26636 6 17 . 1 . 1 15 15 LYS H H 1 8.62 0.01 . 1 . . . . . 15 LYS H . 26636 6 18 . 1 . 1 15 15 LYS N N 15 123.07 0.03 . 1 . . . . . 15 LYS N . 26636 6 19 . 1 . 1 17 17 ALA H H 1 8.669 0.01 . 1 . . . . . 17 ALA H . 26636 6 20 . 1 . 1 17 17 ALA N N 15 129.238 0.03 . 1 . . . . . 17 ALA N . 26636 6 21 . 1 . 1 18 18 THR H H 1 8.353 0.01 . 1 . . . . . 18 THR H . 26636 6 22 . 1 . 1 18 18 THR N N 15 114.651 0.03 . 1 . . . . . 18 THR N . 26636 6 23 . 1 . 1 19 19 GLU H H 1 8.645 0.01 . 1 . . . . . 19 GLU H . 26636 6 24 . 1 . 1 19 19 GLU N N 15 123.644 0.03 . 1 . . . . . 19 GLU N . 26636 6 25 . 1 . 1 20 20 GLU H H 1 8.654 0.01 . 1 . . . . . 20 GLU H . 26636 6 26 . 1 . 1 20 20 GLU N N 15 122.824 0.03 . 1 . . . . . 20 GLU N . 26636 6 27 . 1 . 1 21 21 SER H H 1 8.588 0.01 . 1 . . . . . 21 SER H . 26636 6 28 . 1 . 1 21 21 SER N N 15 117.724 0.03 . 1 . . . . . 21 SER N . 26636 6 29 . 1 . 1 22 22 SER H H 1 8.559 0.01 . 1 . . . . . 22 SER H . 26636 6 30 . 1 . 1 22 22 SER N N 15 118.606 0.03 . 1 . . . . . 22 SER N . 26636 6 31 . 1 . 1 23 23 ALA H H 1 8.443 0.01 . 1 . . . . . 23 ALA H . 26636 6 32 . 1 . 1 23 23 ALA N N 15 126.304 0.03 . 1 . . . . . 23 ALA N . 26636 6 33 . 1 . 1 24 24 GLU H H 1 8.435 0.01 . 1 . . . . . 24 GLU H . 26636 6 34 . 1 . 1 24 24 GLU N N 15 120.455 0.03 . 1 . . . . . 24 GLU N . 26636 6 35 . 1 . 1 26 26 THR H H 1 8.396 0.01 . 1 . . . . . 26 THR H . 26636 6 36 . 1 . 1 26 26 THR N N 15 118.598 0.03 . 1 . . . . . 26 THR N . 26636 6 37 . 1 . 1 27 27 ASP H H 1 8.48 0.01 . 1 . . . . . 27 ASP H . 26636 6 38 . 1 . 1 27 27 ASP N N 15 123.253 0.03 . 1 . . . . . 27 ASP N . 26636 6 39 . 1 . 1 29 29 GLY H H 1 8.643 0.01 . 1 . . . . . 29 GLY H . 26636 6 40 . 1 . 1 29 29 GLY N N 15 109.512 0.03 . 1 . . . . . 29 GLY N . 26636 6 41 . 1 . 1 30 30 LEU H H 1 8.053 0.01 . 1 . . . . . 30 LEU H . 26636 6 42 . 1 . 1 30 30 LEU N N 15 121.199 0.03 . 1 . . . . . 30 LEU N . 26636 6 43 . 1 . 1 31 31 PHE H H 1 8.241 0.01 . 1 . . . . . 31 PHE H . 26636 6 44 . 1 . 1 31 31 PHE N N 15 119.644 0.03 . 1 . . . . . 31 PHE N . 26636 6 45 . 1 . 1 33 33 PHE H H 1 8.202 0.01 . 1 . . . . . 33 PHE H . 26636 6 46 . 1 . 1 33 33 PHE N N 15 120.548 0.03 . 1 . . . . . 33 PHE N . 26636 6 47 . 1 . 1 35 35 GLY H H 1 8.093 0.01 . 1 . . . . . 35 GLY H . 26636 6 48 . 1 . 1 35 35 GLY N N 15 109.101 0.03 . 1 . . . . . 35 GLY N . 26636 6 49 . 1 . 1 36 36 LYS H H 1 8.165 0.01 . 1 . . . . . 36 LYS H . 26636 6 50 . 1 . 1 36 36 LYS N N 15 121.289 0.03 . 1 . . . . . 36 LYS N . 26636 6 51 . 1 . 1 37 37 LYS H H 1 8.604 0.01 . 1 . . . . . 37 LYS H . 26636 6 52 . 1 . 1 37 37 LYS N N 15 123.703 0.03 . 1 . . . . . 37 LYS N . 26636 6 53 . 1 . 1 38 38 LYS H H 1 8.583 0.01 . 1 . . . . . 38 LYS H . 26636 6 54 . 1 . 1 38 38 LYS N N 15 124.001 0.03 . 1 . . . . . 38 LYS N . 26636 6 55 . 1 . 1 39 39 ASP H H 1 8.56 0.01 . 1 . . . . . 39 ASP H . 26636 6 56 . 1 . 1 39 39 ASP N N 15 122.335 0.03 . 1 . . . . . 39 ASP N . 26636 6 57 . 1 . 1 41 41 THR H H 1 8.455 0.01 . 1 . . . . . 41 THR H . 26636 6 58 . 1 . 1 41 41 THR N N 15 116.425 0.03 . 1 . . . . . 41 THR N . 26636 6 59 . 1 . 1 44 44 GLU H H 1 8.761 0.01 . 1 . . . . . 44 GLU H . 26636 6 60 . 1 . 1 44 44 GLU N N 15 121.575 0.03 . 1 . . . . . 44 GLU N . 26636 6 61 . 1 . 1 46 46 THR H H 1 8.507 0.01 . 1 . . . . . 46 THR H . 26636 6 62 . 1 . 1 46 46 THR N N 15 119.791 0.03 . 1 . . . . . 46 THR N . 26636 6 63 . 1 . 1 49 49 ALA H H 1 8.604 0.01 . 1 . . . . . 49 ALA H . 26636 6 64 . 1 . 1 49 49 ALA N N 15 129.468 0.03 . 1 . . . . . 49 ALA N . 26636 6 65 . 1 . 1 50 50 SER H H 1 8.512 0.01 . 1 . . . . . 50 SER H . 26636 6 66 . 1 . 1 50 50 SER N N 15 116.186 0.03 . 1 . . . . . 50 SER N . 26636 6 67 . 1 . 1 52 52 PHE H H 1 8.251 0.01 . 1 . . . . . 52 PHE H . 26636 6 68 . 1 . 1 52 52 PHE N N 15 120.27 0.03 . 1 . . . . . 52 PHE N . 26636 6 69 . 1 . 1 53 53 GLU H H 1 8.236 0.01 . 1 . . . . . 53 GLU H . 26636 6 70 . 1 . 1 53 53 GLU N N 15 122.578 0.03 . 1 . . . . . 53 GLU N . 26636 6 71 . 1 . 1 54 54 GLN H H 1 8.504 0.01 . 1 . . . . . 54 GLN H . 26636 6 72 . 1 . 1 54 54 GLN N N 15 122.384 0.03 . 1 . . . . . 54 GLN N . 26636 6 73 . 1 . 1 57 57 HIS H H 1 8.691 0.01 . 1 . . . . . 57 HIS H . 26636 6 74 . 1 . 1 57 57 HIS N N 15 125.144 0.03 . 1 . . . . . 57 HIS N . 26636 6 75 . 1 . 1 58 58 ILE H H 1 8.368 0.01 . 1 . . . . . 58 ILE H . 26636 6 76 . 1 . 1 58 58 ILE N N 15 125.1 0.03 . 1 . . . . . 58 ILE N . 26636 6 77 . 1 . 1 59 59 SER H H 1 8.576 0.01 . 1 . . . . . 59 SER H . 26636 6 78 . 1 . 1 59 59 SER N N 15 121.317 0.03 . 1 . . . . . 59 SER N . 26636 6 79 . 1 . 1 60 60 GLU H H 1 8.602 0.01 . 1 . . . . . 60 GLU H . 26636 6 80 . 1 . 1 60 60 GLU N N 15 124.814 0.03 . 1 . . . . . 60 GLU N . 26636 6 81 . 1 . 1 64 64 GLU H H 1 8.654 0.01 . 1 . . . . . 64 GLU H . 26636 6 82 . 1 . 1 64 64 GLU N N 15 122.197 0.03 . 1 . . . . . 64 GLU N . 26636 6 83 . 1 . 1 66 66 LYS H H 1 8.585 0.01 . 1 . . . . . 66 LYS H . 26636 6 84 . 1 . 1 66 66 LYS N N 15 126.54 0.03 . 1 . . . . . 66 LYS N . 26636 6 85 . 1 . 1 67 67 HIS H H 1 8.646 0.01 . 1 . . . . . 67 HIS H . 26636 6 86 . 1 . 1 67 67 HIS N N 15 122.544 0.03 . 1 . . . . . 67 HIS N . 26636 6 87 . 1 . 1 68 68 GLU H H 1 8.696 0.01 . 1 . . . . . 68 GLU H . 26636 6 88 . 1 . 1 68 68 GLU N N 15 123.424 0.03 . 1 . . . . . 68 GLU N . 26636 6 89 . 1 . 1 69 69 SER H H 1 8.73 0.01 . 1 . . . . . 69 SER H . 26636 6 90 . 1 . 1 69 69 SER N N 15 118.325 0.03 . 1 . . . . . 69 SER N . 26636 6 91 . 1 . 1 70 70 LEU H H 1 8.517 0.01 . 1 . . . . . 70 LEU H . 26636 6 92 . 1 . 1 70 70 LEU N N 15 124.342 0.03 . 1 . . . . . 70 LEU N . 26636 6 93 . 1 . 1 71 71 LEU H H 1 8.165 0.01 . 1 . . . . . 71 LEU H . 26636 6 94 . 1 . 1 71 71 LEU N N 15 121.403 0.03 . 1 . . . . . 71 LEU N . 26636 6 95 . 1 . 1 72 72 GLU H H 1 8.225 0.01 . 1 . . . . . 72 GLU H . 26636 6 96 . 1 . 1 72 72 GLU N N 15 121.234 0.03 . 1 . . . . . 72 GLU N . 26636 6 97 . 1 . 1 74 74 LEU H H 1 8.237 0.01 . 1 . . . . . 74 LEU H . 26636 6 98 . 1 . 1 74 74 LEU N N 15 122.505 0.03 . 1 . . . . . 74 LEU N . 26636 6 99 . 1 . 1 75 75 HIS H H 1 8.396 0.01 . 1 . . . . . 75 HIS H . 26636 6 100 . 1 . 1 75 75 HIS N N 15 120.148 0.03 . 1 . . . . . 75 HIS N . 26636 6 101 . 1 . 1 77 77 SER H H 1 8.628 0.01 . 1 . . . . . 77 SER H . 26636 6 102 . 1 . 1 77 77 SER N N 15 117.559 0.03 . 1 . . . . . 77 SER N . 26636 6 103 . 1 . 1 79 79 SER H H 1 8.446 0.01 . 1 . . . . . 79 SER H . 26636 6 104 . 1 . 1 79 79 SER N N 15 116.652 0.03 . 1 . . . . . 79 SER N . 26636 6 105 . 1 . 1 80 80 SER H H 1 8.55 0.01 . 1 . . . . . 80 SER H . 26636 6 106 . 1 . 1 80 80 SER N N 15 118.39 0.03 . 1 . . . . . 80 SER N . 26636 6 107 . 1 . 1 81 81 SER H H 1 8.479 0.01 . 1 . . . . . 81 SER H . 26636 6 108 . 1 . 1 81 81 SER N N 15 118.042 0.03 . 1 . . . . . 81 SER N . 26636 6 109 . 1 . 1 82 82 SER H H 1 8.513 0.01 . 1 . . . . . 82 SER H . 26636 6 110 . 1 . 1 82 82 SER N N 15 118.223 0.03 . 1 . . . . . 82 SER N . 26636 6 111 . 1 . 1 83 83 SER H H 1 8.542 0.01 . 1 . . . . . 83 SER H . 26636 6 112 . 1 . 1 83 83 SER N N 15 118.327 0.03 . 1 . . . . . 83 SER N . 26636 6 113 . 1 . 1 84 84 SER H H 1 8.538 0.01 . 1 . . . . . 84 SER H . 26636 6 114 . 1 . 1 84 84 SER N N 15 118.305 0.03 . 1 . . . . . 84 SER N . 26636 6 115 . 1 . 1 85 85 SER H H 1 8.537 0.01 . 1 . . . . . 85 SER H . 26636 6 116 . 1 . 1 85 85 SER N N 15 118.322 0.03 . 1 . . . . . 85 SER N . 26636 6 117 . 1 . 1 87 87 GLU H H 1 8.483 0.01 . 1 . . . . . 87 GLU H . 26636 6 118 . 1 . 1 87 87 GLU N N 15 121.611 0.03 . 1 . . . . . 87 GLU N . 26636 6 119 . 1 . 1 89 89 GLY H H 1 8.634 0.01 . 1 . . . . . 89 GLY H . 26636 6 120 . 1 . 1 89 89 GLY N N 15 110.459 0.03 . 1 . . . . . 89 GLY N . 26636 6 121 . 1 . 1 90 90 SER H H 1 8.473 0.01 . 1 . . . . . 90 SER H . 26636 6 122 . 1 . 1 90 90 SER N N 15 116.199 0.03 . 1 . . . . . 90 SER N . 26636 6 123 . 1 . 1 91 91 ASP H H 1 8.691 0.01 . 1 . . . . . 91 ASP H . 26636 6 124 . 1 . 1 91 91 ASP N N 15 122.226 0.03 . 1 . . . . . 91 ASP N . 26636 6 125 . 1 . 1 92 92 GLY H H 1 8.485 0.01 . 1 . . . . . 92 GLY H . 26636 6 126 . 1 . 1 92 92 GLY N N 15 109.1 0.03 . 1 . . . . . 92 GLY N . 26636 6 127 . 1 . 1 102 102 LYS H H 1 8.559 0.01 . 1 . . . . . 102 LYS H . 26636 6 128 . 1 . 1 102 102 LYS N N 15 124.266 0.03 . 1 . . . . . 102 LYS N . 26636 6 129 . 1 . 1 103 103 LYS H H 1 8.648 0.01 . 1 . . . . . 103 LYS H . 26636 6 130 . 1 . 1 103 103 LYS N N 15 125.659 0.03 . 1 . . . . . 103 LYS N . 26636 6 131 . 1 . 1 105 105 THR H H 1 8.58 0.01 . 1 . . . . . 105 THR H . 26636 6 132 . 1 . 1 105 105 THR N N 15 115.708 0.03 . 1 . . . . . 105 THR N . 26636 6 133 . 1 . 1 106 106 THR H H 1 8.289 0.01 . 1 . . . . . 106 THR H . 26636 6 134 . 1 . 1 106 106 THR N N 15 116.474 0.03 . 1 . . . . . 106 THR N . 26636 6 135 . 1 . 1 109 109 GLU H H 1 8.56 0.01 . 1 . . . . . 109 GLU H . 26636 6 136 . 1 . 1 109 109 GLU N N 15 125.75 0.03 . 1 . . . . . 109 GLU N . 26636 6 137 . 1 . 1 110 110 VAL H H 1 8.504 0.01 . 1 . . . . . 110 VAL H . 26636 6 138 . 1 . 1 110 110 VAL N N 15 124.17 0.03 . 1 . . . . . 110 VAL N . 26636 6 139 . 1 . 1 111 111 LYS H H 1 8.606 0.01 . 1 . . . . . 111 LYS H . 26636 6 140 . 1 . 1 111 111 LYS N N 15 126.379 0.03 . 1 . . . . . 111 LYS N . 26636 6 141 . 1 . 1 112 112 GLU H H 1 8.664 0.01 . 1 . . . . . 112 GLU H . 26636 6 142 . 1 . 1 112 112 GLU N N 15 123.423 0.03 . 1 . . . . . 112 GLU N . 26636 6 143 . 1 . 1 113 113 GLU H H 1 8.737 0.01 . 1 . . . . . 113 GLU H . 26636 6 144 . 1 . 1 113 113 GLU N N 15 121.822 0.03 . 1 . . . . . 113 GLU N . 26636 6 145 . 1 . 1 114 114 GLU H H 1 8.453 0.01 . 1 . . . . . 114 GLU H . 26636 6 146 . 1 . 1 114 114 GLU N N 15 122.273 0.03 . 1 . . . . . 114 GLU N . 26636 6 147 . 1 . 1 117 117 GLY H H 1 8.58 0.01 . 1 . . . . . 117 GLY H . 26636 6 148 . 1 . 1 117 117 GLY N N 15 110.052 0.03 . 1 . . . . . 117 GLY N . 26636 6 149 . 1 . 1 118 118 PHE H H 1 8.191 0.01 . 1 . . . . . 118 PHE H . 26636 6 150 . 1 . 1 118 118 PHE N N 15 120.761 0.03 . 1 . . . . . 118 PHE N . 26636 6 151 . 1 . 1 122 122 LEU H H 1 8.24 0.01 . 1 . . . . . 122 LEU H . 26636 6 152 . 1 . 1 122 122 LEU N N 15 123.208 0.03 . 1 . . . . . 122 LEU N . 26636 6 153 . 1 . 1 126 126 LEU H H 1 8.466 0.01 . 1 . . . . . 126 LEU H . 26636 6 154 . 1 . 1 126 126 LEU N N 15 125.48 0.03 . 1 . . . . . 126 LEU N . 26636 6 155 . 1 . 1 128 128 GLY H H 1 8.602 0.01 . 1 . . . . . 128 GLY H . 26636 6 156 . 1 . 1 128 128 GLY N N 15 109.346 0.03 . 1 . . . . . 128 GLY N . 26636 6 157 . 1 . 1 129 129 HIS H H 1 8.257 0.01 . 1 . . . . . 129 HIS H . 26636 6 158 . 1 . 1 129 129 HIS N N 15 119.606 0.03 . 1 . . . . . 129 HIS N . 26636 6 159 . 1 . 1 130 130 LYS H H 1 8.437 0.01 . 1 . . . . . 130 LYS H . 26636 6 160 . 1 . 1 130 130 LYS N N 15 123.855 0.03 . 1 . . . . . 130 LYS N . 26636 6 161 . 1 . 1 131 131 LYS H H 1 8.674 0.01 . 1 . . . . . 131 LYS H . 26636 6 162 . 1 . 1 131 131 LYS N N 15 125.575 0.03 . 1 . . . . . 131 LYS N . 26636 6 163 . 1 . 1 133 133 GLU H H 1 8.854 0.01 . 1 . . . . . 133 GLU H . 26636 6 164 . 1 . 1 133 133 GLU N N 15 121.504 0.03 . 1 . . . . . 133 GLU N . 26636 6 165 . 1 . 1 134 134 ASP H H 1 8.459 0.01 . 1 . . . . . 134 ASP H . 26636 6 166 . 1 . 1 134 134 ASP N N 15 121.949 0.03 . 1 . . . . . 134 ASP N . 26636 6 167 . 1 . 1 135 135 GLY H H 1 8.574 0.01 . 1 . . . . . 135 GLY H . 26636 6 168 . 1 . 1 135 135 GLY N N 15 110.41 0.03 . 1 . . . . . 135 GLY N . 26636 6 169 . 1 . 1 136 136 SER H H 1 8.334 0.01 . 1 . . . . . 136 SER H . 26636 6 170 . 1 . 1 136 136 SER N N 15 116.16 0.03 . 1 . . . . . 136 SER N . 26636 6 171 . 1 . 1 137 137 ALA H H 1 8.428 0.01 . 1 . . . . . 137 ALA H . 26636 6 172 . 1 . 1 137 137 ALA N N 15 126.069 0.03 . 1 . . . . . 137 ALA N . 26636 6 173 . 1 . 1 138 138 VAL H H 1 8.203 0.01 . 1 . . . . . 138 VAL H . 26636 6 174 . 1 . 1 138 138 VAL N N 15 120.208 0.03 . 1 . . . . . 138 VAL N . 26636 6 175 . 1 . 1 139 139 ALA H H 1 8.507 0.01 . 1 . . . . . 139 ALA H . 26636 6 176 . 1 . 1 139 139 ALA N N 15 128.887 0.03 . 1 . . . . . 139 ALA N . 26636 6 177 . 1 . 1 140 140 ALA H H 1 8.419 0.01 . 1 . . . . . 140 ALA H . 26636 6 178 . 1 . 1 140 140 ALA N N 15 124.356 0.03 . 1 . . . . . 140 ALA N . 26636 6 179 . 1 . 1 141 141 ALA H H 1 8.427 0.01 . 1 . . . . . 141 ALA H . 26636 6 180 . 1 . 1 141 141 ALA N N 15 125.608 0.03 . 1 . . . . . 141 ALA N . 26636 6 181 . 1 . 1 144 144 VAL H H 1 8.527 0.01 . 1 . . . . . 144 VAL H . 26636 6 182 . 1 . 1 144 144 VAL N N 15 127.019 0.03 . 1 . . . . . 144 VAL N . 26636 6 183 . 1 . 1 145 145 VAL H H 1 8.63 0.01 . 1 . . . . . 145 VAL H . 26636 6 184 . 1 . 1 145 145 VAL N N 15 128.941 0.03 . 1 . . . . . 145 VAL N . 26636 6 185 . 1 . 1 149 149 VAL H H 1 8.416 0.01 . 1 . . . . . 149 VAL H . 26636 6 186 . 1 . 1 149 149 VAL N N 15 121.415 0.03 . 1 . . . . . 149 VAL N . 26636 6 187 . 1 . 1 150 150 GLU H H 1 8.661 0.01 . 1 . . . . . 150 GLU H . 26636 6 188 . 1 . 1 150 150 GLU N N 15 125.695 0.03 . 1 . . . . . 150 GLU N . 26636 6 189 . 1 . 1 153 153 HIS H H 1 8.555 0.01 . 1 . . . . . 153 HIS H . 26636 6 190 . 1 . 1 153 153 HIS N N 15 119.877 0.03 . 1 . . . . . 153 HIS N . 26636 6 191 . 1 . 1 155 155 VAL H H 1 8.547 0.01 . 1 . . . . . 155 VAL H . 26636 6 192 . 1 . 1 155 155 VAL N N 15 121.633 0.03 . 1 . . . . . 155 VAL N . 26636 6 193 . 1 . 1 156 156 GLU H H 1 8.678 0.01 . 1 . . . . . 156 GLU H . 26636 6 194 . 1 . 1 156 156 GLU N N 15 125.798 0.03 . 1 . . . . . 156 GLU N . 26636 6 195 . 1 . 1 159 159 GLY H H 1 8.65 0.01 . 1 . . . . . 159 GLY H . 26636 6 196 . 1 . 1 159 159 GLY N N 15 110.631 0.03 . 1 . . . . . 159 GLY N . 26636 6 197 . 1 . 1 160 160 ILE H H 1 8.164 0.01 . 1 . . . . . 160 ILE H . 26636 6 198 . 1 . 1 160 160 ILE N N 15 120.566 0.03 . 1 . . . . . 160 ILE N . 26636 6 199 . 1 . 1 168 168 LEU H H 1 8.403 0.01 . 1 . . . . . 168 LEU H . 26636 6 200 . 1 . 1 168 168 LEU N N 15 125.443 0.03 . 1 . . . . . 168 LEU N . 26636 6 201 . 1 . 1 170 170 GLY H H 1 8.687 0.01 . 1 . . . . . 170 GLY H . 26636 6 202 . 1 . 1 170 170 GLY N N 15 109.838 0.03 . 1 . . . . . 170 GLY N . 26636 6 203 . 1 . 1 171 171 TYR H H 1 8.039 0.01 . 1 . . . . . 171 TYR H . 26636 6 204 . 1 . 1 171 171 TYR N N 15 120.824 0.03 . 1 . . . . . 171 TYR N . 26636 6 205 . 1 . 1 172 172 HIS H H 1 8.276 0.01 . 1 . . . . . 172 HIS H . 26636 6 206 . 1 . 1 172 172 HIS N N 15 125.193 0.03 . 1 . . . . . 172 HIS N . 26636 6 207 . 1 . 1 174 174 LYS H H 1 8.727 0.01 . 1 . . . . . 174 LYS H . 26636 6 208 . 1 . 1 174 174 LYS N N 15 122.273 0.03 . 1 . . . . . 174 LYS N . 26636 6 209 . 1 . 1 175 175 THR H H 1 8.435 0.01 . 1 . . . . . 175 THR H . 26636 6 210 . 1 . 1 175 175 THR N N 15 116.429 0.03 . 1 . . . . . 175 THR N . 26636 6 211 . 1 . 1 176 176 THR H H 1 8.396 0.01 . 1 . . . . . 176 THR H . 26636 6 212 . 1 . 1 176 176 THR N N 15 117.563 0.03 . 1 . . . . . 176 THR N . 26636 6 213 . 1 . 1 178 178 GLU H H 1 8.622 0.01 . 1 . . . . . 178 GLU H . 26636 6 214 . 1 . 1 178 178 GLU N N 15 125.169 0.03 . 1 . . . . . 178 GLU N . 26636 6 215 . 1 . 1 183 183 ASP H H 1 8.523 0.01 . 1 . . . . . 183 ASP H . 26636 6 216 . 1 . 1 183 183 ASP N N 15 121.741 0.03 . 1 . . . . . 183 ASP N . 26636 6 217 . 1 . 1 184 184 LYS H H 1 8.328 0.01 . 1 . . . . . 184 LYS H . 26636 6 218 . 1 . 1 184 184 LYS N N 15 121.406 0.03 . 1 . . . . . 184 LYS N . 26636 6 219 . 1 . 1 185 185 GLU H H 1 8.19 0.01 . 1 . . . . . 185 GLU H . 26636 6 220 . 1 . 1 185 185 GLU N N 15 127.652 0.03 . 1 . . . . . 185 GLU N . 26636 6 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_Assignment_277K_7.57pH _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_277K_7.57pH _Assigned_chem_shift_list.Entry_ID 26636 _Assigned_chem_shift_list.ID 7 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 7 _Assigned_chem_shift_list.Sample_condition_list_label $277K-7.57pH _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'Maximum deviation taken from repeated manual peak picking on the same spectrum.' _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 7 '2D 1H-15N HSQC' . . . 26636 7 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 $CARA . . 26636 7 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 4 4 GLU H H 1 8.783 0.01 . 1 . . . . . 4 GLU H . 26636 7 2 . 1 . 1 4 4 GLU N N 15 123.867 0.03 . 1 . . . . . 4 GLU N . 26636 7 3 . 1 . 1 5 5 ILE H H 1 8.568 0.01 . 1 . . . . . 5 ILE H . 26636 7 4 . 1 . 1 5 5 ILE N N 15 124.644 0.03 . 1 . . . . . 5 ILE N . 26636 7 5 . 1 . 1 6 6 LYS H H 1 8.647 0.01 . 1 . . . . . 6 LYS H . 26636 7 6 . 1 . 1 6 6 LYS N N 15 127.088 0.03 . 1 . . . . . 6 LYS N . 26636 7 7 . 1 . 1 7 7 ASN H H 1 8.663 0.01 . 1 . . . . . 7 ASN H . 26636 7 8 . 1 . 1 7 7 ASN N N 15 121.143 0.03 . 1 . . . . . 7 ASN N . 26636 7 9 . 1 . 1 10 10 GLU H H 1 8.703 0.01 . 1 . . . . . 10 GLU H . 26636 7 10 . 1 . 1 10 10 GLU N N 15 121.616 0.03 . 1 . . . . . 10 GLU N . 26636 7 11 . 1 . 1 11 11 GLN H H 1 8.55 0.01 . 1 . . . . . 11 GLN H . 26636 7 12 . 1 . 1 11 11 GLN N N 15 121.572 0.03 . 1 . . . . . 11 GLN N . 26636 7 13 . 1 . 1 12 12 GLU H H 1 8.614 0.01 . 1 . . . . . 12 GLU H . 26636 7 14 . 1 . 1 12 12 GLU N N 15 123.505 0.03 . 1 . . . . . 12 GLU N . 26636 7 15 . 1 . 1 13 13 VAL H H 1 8.485 0.01 . 1 . . . . . 13 VAL H . 26636 7 16 . 1 . 1 13 13 VAL N N 15 124.663 0.03 . 1 . . . . . 13 VAL N . 26636 7 17 . 1 . 1 15 15 LYS H H 1 8.62 0.01 . 1 . . . . . 15 LYS H . 26636 7 18 . 1 . 1 15 15 LYS N N 15 123.07 0.03 . 1 . . . . . 15 LYS N . 26636 7 19 . 1 . 1 17 17 ALA H H 1 8.669 0.01 . 1 . . . . . 17 ALA H . 26636 7 20 . 1 . 1 17 17 ALA N N 15 129.24 0.03 . 1 . . . . . 17 ALA N . 26636 7 21 . 1 . 1 18 18 THR H H 1 8.351 0.01 . 1 . . . . . 18 THR H . 26636 7 22 . 1 . 1 18 18 THR N N 15 114.651 0.03 . 1 . . . . . 18 THR N . 26636 7 23 . 1 . 1 19 19 GLU H H 1 8.645 0.01 . 1 . . . . . 19 GLU H . 26636 7 24 . 1 . 1 19 19 GLU N N 15 123.642 0.03 . 1 . . . . . 19 GLU N . 26636 7 25 . 1 . 1 20 20 GLU H H 1 8.653 0.01 . 1 . . . . . 20 GLU H . 26636 7 26 . 1 . 1 20 20 GLU N N 15 122.828 0.03 . 1 . . . . . 20 GLU N . 26636 7 27 . 1 . 1 21 21 SER H H 1 8.585 0.01 . 1 . . . . . 21 SER H . 26636 7 28 . 1 . 1 21 21 SER N N 15 117.724 0.03 . 1 . . . . . 21 SER N . 26636 7 29 . 1 . 1 22 22 SER H H 1 8.555 0.01 . 1 . . . . . 22 SER H . 26636 7 30 . 1 . 1 22 22 SER N N 15 118.606 0.03 . 1 . . . . . 22 SER N . 26636 7 31 . 1 . 1 23 23 ALA H H 1 8.443 0.01 . 1 . . . . . 23 ALA H . 26636 7 32 . 1 . 1 23 23 ALA N N 15 126.307 0.03 . 1 . . . . . 23 ALA N . 26636 7 33 . 1 . 1 24 24 GLU H H 1 8.434 0.01 . 1 . . . . . 24 GLU H . 26636 7 34 . 1 . 1 24 24 GLU N N 15 120.455 0.03 . 1 . . . . . 24 GLU N . 26636 7 35 . 1 . 1 26 26 THR H H 1 8.395 0.01 . 1 . . . . . 26 THR H . 26636 7 36 . 1 . 1 26 26 THR N N 15 118.608 0.03 . 1 . . . . . 26 THR N . 26636 7 37 . 1 . 1 27 27 ASP H H 1 8.478 0.01 . 1 . . . . . 27 ASP H . 26636 7 38 . 1 . 1 27 27 ASP N N 15 123.255 0.03 . 1 . . . . . 27 ASP N . 26636 7 39 . 1 . 1 29 29 GLY H H 1 8.639 0.01 . 1 . . . . . 29 GLY H . 26636 7 40 . 1 . 1 29 29 GLY N N 15 109.507 0.03 . 1 . . . . . 29 GLY N . 26636 7 41 . 1 . 1 30 30 LEU H H 1 8.05 0.01 . 1 . . . . . 30 LEU H . 26636 7 42 . 1 . 1 30 30 LEU N N 15 121.194 0.03 . 1 . . . . . 30 LEU N . 26636 7 43 . 1 . 1 31 31 PHE H H 1 8.241 0.01 . 1 . . . . . 31 PHE H . 26636 7 44 . 1 . 1 31 31 PHE N N 15 119.644 0.03 . 1 . . . . . 31 PHE N . 26636 7 45 . 1 . 1 33 33 PHE H H 1 8.201 0.01 . 1 . . . . . 33 PHE H . 26636 7 46 . 1 . 1 33 33 PHE N N 15 120.548 0.03 . 1 . . . . . 33 PHE N . 26636 7 47 . 1 . 1 35 35 GLY H H 1 8.091 0.01 . 1 . . . . . 35 GLY H . 26636 7 48 . 1 . 1 35 35 GLY N N 15 109.096 0.03 . 1 . . . . . 35 GLY N . 26636 7 49 . 1 . 1 36 36 LYS H H 1 8.164 0.01 . 1 . . . . . 36 LYS H . 26636 7 50 . 1 . 1 36 36 LYS N N 15 121.294 0.03 . 1 . . . . . 36 LYS N . 26636 7 51 . 1 . 1 37 37 LYS H H 1 8.604 0.01 . 1 . . . . . 37 LYS H . 26636 7 52 . 1 . 1 37 37 LYS N N 15 123.683 0.03 . 1 . . . . . 37 LYS N . 26636 7 53 . 1 . 1 38 38 LYS H H 1 8.583 0.01 . 1 . . . . . 38 LYS H . 26636 7 54 . 1 . 1 38 38 LYS N N 15 124.001 0.03 . 1 . . . . . 38 LYS N . 26636 7 55 . 1 . 1 39 39 ASP H H 1 8.56 0.01 . 1 . . . . . 39 ASP H . 26636 7 56 . 1 . 1 39 39 ASP N N 15 122.343 0.03 . 1 . . . . . 39 ASP N . 26636 7 57 . 1 . 1 41 41 THR H H 1 8.455 0.01 . 1 . . . . . 41 THR H . 26636 7 58 . 1 . 1 41 41 THR N N 15 116.425 0.03 . 1 . . . . . 41 THR N . 26636 7 59 . 1 . 1 44 44 GLU H H 1 8.759 0.01 . 1 . . . . . 44 GLU H . 26636 7 60 . 1 . 1 44 44 GLU N N 15 121.572 0.03 . 1 . . . . . 44 GLU N . 26636 7 61 . 1 . 1 46 46 THR H H 1 8.505 0.01 . 1 . . . . . 46 THR H . 26636 7 62 . 1 . 1 46 46 THR N N 15 119.791 0.03 . 1 . . . . . 46 THR N . 26636 7 63 . 1 . 1 49 49 ALA H H 1 8.604 0.01 . 1 . . . . . 49 ALA H . 26636 7 64 . 1 . 1 49 49 ALA N N 15 129.472 0.03 . 1 . . . . . 49 ALA N . 26636 7 65 . 1 . 1 50 50 SER H H 1 8.509 0.01 . 1 . . . . . 50 SER H . 26636 7 66 . 1 . 1 50 50 SER N N 15 116.186 0.03 . 1 . . . . . 50 SER N . 26636 7 67 . 1 . 1 52 52 PHE H H 1 8.249 0.01 . 1 . . . . . 52 PHE H . 26636 7 68 . 1 . 1 52 52 PHE N N 15 120.281 0.03 . 1 . . . . . 52 PHE N . 26636 7 69 . 1 . 1 53 53 GLU H H 1 8.237 0.01 . 1 . . . . . 53 GLU H . 26636 7 70 . 1 . 1 53 53 GLU N N 15 122.598 0.03 . 1 . . . . . 53 GLU N . 26636 7 71 . 1 . 1 54 54 GLN H H 1 8.505 0.01 . 1 . . . . . 54 GLN H . 26636 7 72 . 1 . 1 54 54 GLN N N 15 122.421 0.03 . 1 . . . . . 54 GLN N . 26636 7 73 . 1 . 1 57 57 HIS H H 1 8.673 0.01 . 1 . . . . . 57 HIS H . 26636 7 74 . 1 . 1 57 57 HIS N N 15 125.254 0.03 . 1 . . . . . 57 HIS N . 26636 7 75 . 1 . 1 58 58 ILE H H 1 8.348 0.01 . 1 . . . . . 58 ILE H . 26636 7 76 . 1 . 1 58 58 ILE N N 15 125.098 0.03 . 1 . . . . . 58 ILE N . 26636 7 77 . 1 . 1 59 59 SER H H 1 8.569 0.01 . 1 . . . . . 59 SER H . 26636 7 78 . 1 . 1 59 59 SER N N 15 121.32 0.03 . 1 . . . . . 59 SER N . 26636 7 79 . 1 . 1 60 60 GLU H H 1 8.6 0.01 . 1 . . . . . 60 GLU H . 26636 7 80 . 1 . 1 60 60 GLU N N 15 124.813 0.03 . 1 . . . . . 60 GLU N . 26636 7 81 . 1 . 1 64 64 GLU H H 1 8.652 0.01 . 1 . . . . . 64 GLU H . 26636 7 82 . 1 . 1 64 64 GLU N N 15 122.194 0.03 . 1 . . . . . 64 GLU N . 26636 7 83 . 1 . 1 66 66 LYS H H 1 8.586 0.01 . 1 . . . . . 66 LYS H . 26636 7 84 . 1 . 1 66 66 LYS N N 15 126.577 0.03 . 1 . . . . . 66 LYS N . 26636 7 85 . 1 . 1 67 67 HIS H H 1 8.624 0.01 . 1 . . . . . 67 HIS H . 26636 7 86 . 1 . 1 67 67 HIS N N 15 122.666 0.03 . 1 . . . . . 67 HIS N . 26636 7 87 . 1 . 1 68 68 GLU H H 1 8.686 0.01 . 1 . . . . . 68 GLU H . 26636 7 88 . 1 . 1 68 68 GLU N N 15 123.418 0.03 . 1 . . . . . 68 GLU N . 26636 7 89 . 1 . 1 69 69 SER H H 1 8.723 0.01 . 1 . . . . . 69 SER H . 26636 7 90 . 1 . 1 69 69 SER N N 15 118.291 0.03 . 1 . . . . . 69 SER N . 26636 7 91 . 1 . 1 70 70 LEU H H 1 8.509 0.01 . 1 . . . . . 70 LEU H . 26636 7 92 . 1 . 1 70 70 LEU N N 15 124.323 0.03 . 1 . . . . . 70 LEU N . 26636 7 93 . 1 . 1 71 71 LEU H H 1 8.158 0.01 . 1 . . . . . 71 LEU H . 26636 7 94 . 1 . 1 71 71 LEU N N 15 121.419 0.03 . 1 . . . . . 71 LEU N . 26636 7 95 . 1 . 1 72 72 GLU H H 1 8.226 0.01 . 1 . . . . . 72 GLU H . 26636 7 96 . 1 . 1 72 72 GLU N N 15 121.229 0.03 . 1 . . . . . 72 GLU N . 26636 7 97 . 1 . 1 74 74 LEU H H 1 8.24 0.01 . 1 . . . . . 74 LEU H . 26636 7 98 . 1 . 1 74 74 LEU N N 15 122.55 0.03 . 1 . . . . . 74 LEU N . 26636 7 99 . 1 . 1 75 75 HIS H H 1 8.381 0.01 . 1 . . . . . 75 HIS H . 26636 7 100 . 1 . 1 75 75 HIS N N 15 120.272 0.03 . 1 . . . . . 75 HIS N . 26636 7 101 . 1 . 1 77 77 SER H H 1 8.623 0.01 . 1 . . . . . 77 SER H . 26636 7 102 . 1 . 1 77 77 SER N N 15 117.598 0.03 . 1 . . . . . 77 SER N . 26636 7 103 . 1 . 1 79 79 SER H H 1 8.442 0.01 . 1 . . . . . 79 SER H . 26636 7 104 . 1 . 1 79 79 SER N N 15 116.661 0.03 . 1 . . . . . 79 SER N . 26636 7 105 . 1 . 1 80 80 SER H H 1 8.551 0.01 . 1 . . . . . 80 SER H . 26636 7 106 . 1 . 1 80 80 SER N N 15 118.404 0.03 . 1 . . . . . 80 SER N . 26636 7 107 . 1 . 1 81 81 SER H H 1 8.475 0.01 . 1 . . . . . 81 SER H . 26636 7 108 . 1 . 1 81 81 SER N N 15 118.047 0.03 . 1 . . . . . 81 SER N . 26636 7 109 . 1 . 1 82 82 SER H H 1 8.514 0.01 . 1 . . . . . 82 SER H . 26636 7 110 . 1 . 1 82 82 SER N N 15 118.227 0.03 . 1 . . . . . 82 SER N . 26636 7 111 . 1 . 1 83 83 SER H H 1 8.541 0.01 . 1 . . . . . 83 SER H . 26636 7 112 . 1 . 1 83 83 SER N N 15 118.336 0.03 . 1 . . . . . 83 SER N . 26636 7 113 . 1 . 1 84 84 SER H H 1 8.538 0.01 . 1 . . . . . 84 SER H . 26636 7 114 . 1 . 1 84 84 SER N N 15 118.316 0.03 . 1 . . . . . 84 SER N . 26636 7 115 . 1 . 1 85 85 SER H H 1 8.536 0.01 . 1 . . . . . 85 SER H . 26636 7 116 . 1 . 1 85 85 SER N N 15 118.334 0.03 . 1 . . . . . 85 SER N . 26636 7 117 . 1 . 1 87 87 GLU H H 1 8.481 0.01 . 1 . . . . . 87 GLU H . 26636 7 118 . 1 . 1 87 87 GLU N N 15 121.607 0.03 . 1 . . . . . 87 GLU N . 26636 7 119 . 1 . 1 89 89 GLY H H 1 8.631 0.01 . 1 . . . . . 89 GLY H . 26636 7 120 . 1 . 1 89 89 GLY N N 15 110.47 0.03 . 1 . . . . . 89 GLY N . 26636 7 121 . 1 . 1 90 90 SER H H 1 8.471 0.01 . 1 . . . . . 90 SER H . 26636 7 122 . 1 . 1 90 90 SER N N 15 116.194 0.03 . 1 . . . . . 90 SER N . 26636 7 123 . 1 . 1 91 91 ASP H H 1 8.691 0.01 . 1 . . . . . 91 ASP H . 26636 7 124 . 1 . 1 91 91 ASP N N 15 122.226 0.03 . 1 . . . . . 91 ASP N . 26636 7 125 . 1 . 1 92 92 GLY H H 1 8.482 0.01 . 1 . . . . . 92 GLY H . 26636 7 126 . 1 . 1 92 92 GLY N N 15 109.095 0.03 . 1 . . . . . 92 GLY N . 26636 7 127 . 1 . 1 102 102 LYS H H 1 8.559 0.01 . 1 . . . . . 102 LYS H . 26636 7 128 . 1 . 1 102 102 LYS N N 15 124.266 0.03 . 1 . . . . . 102 LYS N . 26636 7 129 . 1 . 1 103 103 LYS H H 1 8.648 0.01 . 1 . . . . . 103 LYS H . 26636 7 130 . 1 . 1 103 103 LYS N N 15 125.655 0.03 . 1 . . . . . 103 LYS N . 26636 7 131 . 1 . 1 105 105 THR H H 1 8.579 0.01 . 1 . . . . . 105 THR H . 26636 7 132 . 1 . 1 105 105 THR N N 15 115.708 0.03 . 1 . . . . . 105 THR N . 26636 7 133 . 1 . 1 106 106 THR H H 1 8.288 0.01 . 1 . . . . . 106 THR H . 26636 7 134 . 1 . 1 106 106 THR N N 15 116.479 0.03 . 1 . . . . . 106 THR N . 26636 7 135 . 1 . 1 109 109 GLU H H 1 8.56 0.01 . 1 . . . . . 109 GLU H . 26636 7 136 . 1 . 1 109 109 GLU N N 15 125.751 0.03 . 1 . . . . . 109 GLU N . 26636 7 137 . 1 . 1 110 110 VAL H H 1 8.504 0.01 . 1 . . . . . 110 VAL H . 26636 7 138 . 1 . 1 110 110 VAL N N 15 124.174 0.03 . 1 . . . . . 110 VAL N . 26636 7 139 . 1 . 1 111 111 LYS H H 1 8.606 0.01 . 1 . . . . . 111 LYS H . 26636 7 140 . 1 . 1 111 111 LYS N N 15 126.379 0.03 . 1 . . . . . 111 LYS N . 26636 7 141 . 1 . 1 112 112 GLU H H 1 8.664 0.01 . 1 . . . . . 112 GLU H . 26636 7 142 . 1 . 1 112 112 GLU N N 15 123.423 0.03 . 1 . . . . . 112 GLU N . 26636 7 143 . 1 . 1 113 113 GLU H H 1 8.734 0.01 . 1 . . . . . 113 GLU H . 26636 7 144 . 1 . 1 113 113 GLU N N 15 121.829 0.03 . 1 . . . . . 113 GLU N . 26636 7 145 . 1 . 1 114 114 GLU H H 1 8.453 0.01 . 1 . . . . . 114 GLU H . 26636 7 146 . 1 . 1 114 114 GLU N N 15 122.273 0.03 . 1 . . . . . 114 GLU N . 26636 7 147 . 1 . 1 117 117 GLY H H 1 8.577 0.01 . 1 . . . . . 117 GLY H . 26636 7 148 . 1 . 1 117 117 GLY N N 15 110.063 0.03 . 1 . . . . . 117 GLY N . 26636 7 149 . 1 . 1 118 118 PHE H H 1 8.19 0.01 . 1 . . . . . 118 PHE H . 26636 7 150 . 1 . 1 118 118 PHE N N 15 120.761 0.03 . 1 . . . . . 118 PHE N . 26636 7 151 . 1 . 1 122 122 LEU H H 1 8.239 0.01 . 1 . . . . . 122 LEU H . 26636 7 152 . 1 . 1 122 122 LEU N N 15 123.21 0.03 . 1 . . . . . 122 LEU N . 26636 7 153 . 1 . 1 126 126 LEU H H 1 8.465 0.01 . 1 . . . . . 126 LEU H . 26636 7 154 . 1 . 1 126 126 LEU N N 15 125.48 0.03 . 1 . . . . . 126 LEU N . 26636 7 155 . 1 . 1 128 128 GLY H H 1 8.599 0.01 . 1 . . . . . 128 GLY H . 26636 7 156 . 1 . 1 128 128 GLY N N 15 109.346 0.03 . 1 . . . . . 128 GLY N . 26636 7 157 . 1 . 1 129 129 HIS H H 1 8.226 0.01 . 1 . . . . . 129 HIS H . 26636 7 158 . 1 . 1 129 129 HIS N N 15 119.695 0.03 . 1 . . . . . 129 HIS N . 26636 7 159 . 1 . 1 130 130 LYS H H 1 8.414 0.01 . 1 . . . . . 130 LYS H . 26636 7 160 . 1 . 1 130 130 LYS N N 15 123.853 0.03 . 1 . . . . . 130 LYS N . 26636 7 161 . 1 . 1 131 131 LYS H H 1 8.668 0.01 . 1 . . . . . 131 LYS H . 26636 7 162 . 1 . 1 131 131 LYS N N 15 125.58 0.03 . 1 . . . . . 131 LYS N . 26636 7 163 . 1 . 1 133 133 GLU H H 1 8.851 0.01 . 1 . . . . . 133 GLU H . 26636 7 164 . 1 . 1 133 133 GLU N N 15 121.5 0.03 . 1 . . . . . 133 GLU N . 26636 7 165 . 1 . 1 134 134 ASP H H 1 8.458 0.01 . 1 . . . . . 134 ASP H . 26636 7 166 . 1 . 1 134 134 ASP N N 15 121.946 0.03 . 1 . . . . . 134 ASP N . 26636 7 167 . 1 . 1 135 135 GLY H H 1 8.572 0.01 . 1 . . . . . 135 GLY H . 26636 7 168 . 1 . 1 135 135 GLY N N 15 110.41 0.03 . 1 . . . . . 135 GLY N . 26636 7 169 . 1 . 1 136 136 SER H H 1 8.332 0.01 . 1 . . . . . 136 SER H . 26636 7 170 . 1 . 1 136 136 SER N N 15 116.16 0.03 . 1 . . . . . 136 SER N . 26636 7 171 . 1 . 1 137 137 ALA H H 1 8.428 0.01 . 1 . . . . . 137 ALA H . 26636 7 172 . 1 . 1 137 137 ALA N N 15 126.069 0.03 . 1 . . . . . 137 ALA N . 26636 7 173 . 1 . 1 138 138 VAL H H 1 8.202 0.01 . 1 . . . . . 138 VAL H . 26636 7 174 . 1 . 1 138 138 VAL N N 15 120.212 0.03 . 1 . . . . . 138 VAL N . 26636 7 175 . 1 . 1 139 139 ALA H H 1 8.507 0.01 . 1 . . . . . 139 ALA H . 26636 7 176 . 1 . 1 139 139 ALA N N 15 128.886 0.03 . 1 . . . . . 139 ALA N . 26636 7 177 . 1 . 1 140 140 ALA H H 1 8.418 0.01 . 1 . . . . . 140 ALA H . 26636 7 178 . 1 . 1 140 140 ALA N N 15 124.358 0.03 . 1 . . . . . 140 ALA N . 26636 7 179 . 1 . 1 141 141 ALA H H 1 8.427 0.01 . 1 . . . . . 141 ALA H . 26636 7 180 . 1 . 1 141 141 ALA N N 15 125.608 0.03 . 1 . . . . . 141 ALA N . 26636 7 181 . 1 . 1 144 144 VAL H H 1 8.527 0.01 . 1 . . . . . 144 VAL H . 26636 7 182 . 1 . 1 144 144 VAL N N 15 127.02 0.03 . 1 . . . . . 144 VAL N . 26636 7 183 . 1 . 1 145 145 VAL H H 1 8.63 0.01 . 1 . . . . . 145 VAL H . 26636 7 184 . 1 . 1 145 145 VAL N N 15 128.941 0.03 . 1 . . . . . 145 VAL N . 26636 7 185 . 1 . 1 149 149 VAL H H 1 8.414 0.01 . 1 . . . . . 149 VAL H . 26636 7 186 . 1 . 1 149 149 VAL N N 15 121.413 0.03 . 1 . . . . . 149 VAL N . 26636 7 187 . 1 . 1 150 150 GLU H H 1 8.661 0.01 . 1 . . . . . 150 GLU H . 26636 7 188 . 1 . 1 150 150 GLU N N 15 125.687 0.03 . 1 . . . . . 150 GLU N . 26636 7 189 . 1 . 1 153 153 HIS H H 1 8.532 0.01 . 1 . . . . . 153 HIS H . 26636 7 190 . 1 . 1 153 153 HIS N N 15 120.082 0.03 . 1 . . . . . 153 HIS N . 26636 7 191 . 1 . 1 155 155 VAL H H 1 8.545 0.01 . 1 . . . . . 155 VAL H . 26636 7 192 . 1 . 1 155 155 VAL N N 15 121.618 0.03 . 1 . . . . . 155 VAL N . 26636 7 193 . 1 . 1 156 156 GLU H H 1 8.674 0.01 . 1 . . . . . 156 GLU H . 26636 7 194 . 1 . 1 156 156 GLU N N 15 125.755 0.03 . 1 . . . . . 156 GLU N . 26636 7 195 . 1 . 1 159 159 GLY H H 1 8.645 0.01 . 1 . . . . . 159 GLY H . 26636 7 196 . 1 . 1 159 159 GLY N N 15 110.62 0.03 . 1 . . . . . 159 GLY N . 26636 7 197 . 1 . 1 160 160 ILE H H 1 8.161 0.01 . 1 . . . . . 160 ILE H . 26636 7 198 . 1 . 1 160 160 ILE N N 15 120.566 0.03 . 1 . . . . . 160 ILE N . 26636 7 199 . 1 . 1 168 168 LEU H H 1 8.406 0.01 . 1 . . . . . 168 LEU H . 26636 7 200 . 1 . 1 168 168 LEU N N 15 125.463 0.03 . 1 . . . . . 168 LEU N . 26636 7 201 . 1 . 1 170 170 GLY H H 1 8.678 0.01 . 1 . . . . . 170 GLY H . 26636 7 202 . 1 . 1 170 170 GLY N N 15 109.822 0.03 . 1 . . . . . 170 GLY N . 26636 7 203 . 1 . 1 171 171 TYR H H 1 8.032 0.01 . 1 . . . . . 171 TYR H . 26636 7 204 . 1 . 1 171 171 TYR N N 15 120.783 0.03 . 1 . . . . . 171 TYR N . 26636 7 205 . 1 . 1 172 172 HIS H H 1 8.261 0.01 . 1 . . . . . 172 HIS H . 26636 7 206 . 1 . 1 172 172 HIS N N 15 125.266 0.03 . 1 . . . . . 172 HIS N . 26636 7 207 . 1 . 1 174 174 LYS H H 1 8.729 0.01 . 1 . . . . . 174 LYS H . 26636 7 208 . 1 . 1 174 174 LYS N N 15 122.259 0.03 . 1 . . . . . 174 LYS N . 26636 7 209 . 1 . 1 175 175 THR H H 1 8.435 0.01 . 1 . . . . . 175 THR H . 26636 7 210 . 1 . 1 175 175 THR N N 15 116.429 0.03 . 1 . . . . . 175 THR N . 26636 7 211 . 1 . 1 176 176 THR H H 1 8.392 0.01 . 1 . . . . . 176 THR H . 26636 7 212 . 1 . 1 176 176 THR N N 15 117.583 0.03 . 1 . . . . . 176 THR N . 26636 7 213 . 1 . 1 178 178 GLU H H 1 8.623 0.01 . 1 . . . . . 178 GLU H . 26636 7 214 . 1 . 1 178 178 GLU N N 15 125.191 0.03 . 1 . . . . . 178 GLU N . 26636 7 215 . 1 . 1 183 183 ASP H H 1 8.52 0.01 . 1 . . . . . 183 ASP H . 26636 7 216 . 1 . 1 183 183 ASP N N 15 121.745 0.03 . 1 . . . . . 183 ASP N . 26636 7 217 . 1 . 1 184 184 LYS H H 1 8.326 0.01 . 1 . . . . . 184 LYS H . 26636 7 218 . 1 . 1 184 184 LYS N N 15 121.406 0.03 . 1 . . . . . 184 LYS N . 26636 7 219 . 1 . 1 185 185 GLU H H 1 8.19 0.01 . 1 . . . . . 185 GLU H . 26636 7 220 . 1 . 1 185 185 GLU N N 15 127.654 0.03 . 1 . . . . . 185 GLU N . 26636 7 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_Assignment_277K_7.70pH _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Assignment_277K_7.70pH _Assigned_chem_shift_list.Entry_ID 26636 _Assigned_chem_shift_list.ID 8 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 8 _Assigned_chem_shift_list.Sample_condition_list_label $277K-7.70pH _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _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 'Maximum deviation taken from repeated manual peak picking on the same spectrum.' _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 8 '2D 1H-15N HSQC' . . . 26636 8 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 $CARA . . 26636 8 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 4 4 GLU H H 1 8.783 0.01 . 1 . . . . . 4 GLU H . 26636 8 2 . 1 . 1 4 4 GLU N N 15 123.867 0.03 . 1 . . . . . 4 GLU N . 26636 8 3 . 1 . 1 5 5 ILE H H 1 8.567 0.01 . 1 . . . . . 5 ILE H . 26636 8 4 . 1 . 1 5 5 ILE N N 15 124.644 0.03 . 1 . . . . . 5 ILE N . 26636 8 5 . 1 . 1 6 6 LYS H H 1 8.646 0.01 . 1 . . . . . 6 LYS H . 26636 8 6 . 1 . 1 6 6 LYS N N 15 127.089 0.03 . 1 . . . . . 6 LYS N . 26636 8 7 . 1 . 1 7 7 ASN H H 1 8.665 0.01 . 1 . . . . . 7 ASN H . 26636 8 8 . 1 . 1 7 7 ASN N N 15 121.14 0.03 . 1 . . . . . 7 ASN N . 26636 8 9 . 1 . 1 10 10 GLU H H 1 8.706 0.01 . 1 . . . . . 10 GLU H . 26636 8 10 . 1 . 1 10 10 GLU N N 15 121.62 0.03 . 1 . . . . . 10 GLU N . 26636 8 11 . 1 . 1 11 11 GLN H H 1 8.55 0.01 . 1 . . . . . 11 GLN H . 26636 8 12 . 1 . 1 11 11 GLN N N 15 121.572 0.03 . 1 . . . . . 11 GLN N . 26636 8 13 . 1 . 1 12 12 GLU H H 1 8.614 0.01 . 1 . . . . . 12 GLU H . 26636 8 14 . 1 . 1 12 12 GLU N N 15 123.505 0.03 . 1 . . . . . 12 GLU N . 26636 8 15 . 1 . 1 13 13 VAL H H 1 8.485 0.01 . 1 . . . . . 13 VAL H . 26636 8 16 . 1 . 1 13 13 VAL N N 15 124.669 0.03 . 1 . . . . . 13 VAL N . 26636 8 17 . 1 . 1 15 15 LYS H H 1 8.62 0.01 . 1 . . . . . 15 LYS H . 26636 8 18 . 1 . 1 15 15 LYS N N 15 123.07 0.03 . 1 . . . . . 15 LYS N . 26636 8 19 . 1 . 1 17 17 ALA H H 1 8.669 0.01 . 1 . . . . . 17 ALA H . 26636 8 20 . 1 . 1 17 17 ALA N N 15 129.242 0.03 . 1 . . . . . 17 ALA N . 26636 8 21 . 1 . 1 18 18 THR H H 1 8.353 0.01 . 1 . . . . . 18 THR H . 26636 8 22 . 1 . 1 18 18 THR N N 15 114.656 0.03 . 1 . . . . . 18 THR N . 26636 8 23 . 1 . 1 19 19 GLU H H 1 8.645 0.01 . 1 . . . . . 19 GLU H . 26636 8 24 . 1 . 1 19 19 GLU N N 15 123.642 0.03 . 1 . . . . . 19 GLU N . 26636 8 25 . 1 . 1 20 20 GLU H H 1 8.653 0.01 . 1 . . . . . 20 GLU H . 26636 8 26 . 1 . 1 20 20 GLU N N 15 122.833 0.03 . 1 . . . . . 20 GLU N . 26636 8 27 . 1 . 1 21 21 SER H H 1 8.588 0.01 . 1 . . . . . 21 SER H . 26636 8 28 . 1 . 1 21 21 SER N N 15 117.729 0.03 . 1 . . . . . 21 SER N . 26636 8 29 . 1 . 1 22 22 SER H H 1 8.558 0.01 . 1 . . . . . 22 SER H . 26636 8 30 . 1 . 1 22 22 SER N N 15 118.611 0.03 . 1 . . . . . 22 SER N . 26636 8 31 . 1 . 1 23 23 ALA H H 1 8.443 0.01 . 1 . . . . . 23 ALA H . 26636 8 32 . 1 . 1 23 23 ALA N N 15 126.311 0.03 . 1 . . . . . 23 ALA N . 26636 8 33 . 1 . 1 24 24 GLU H H 1 8.435 0.01 . 1 . . . . . 24 GLU H . 26636 8 34 . 1 . 1 24 24 GLU N N 15 120.459 0.03 . 1 . . . . . 24 GLU N . 26636 8 35 . 1 . 1 26 26 THR H H 1 8.397 0.01 . 1 . . . . . 26 THR H . 26636 8 36 . 1 . 1 26 26 THR N N 15 118.613 0.03 . 1 . . . . . 26 THR N . 26636 8 37 . 1 . 1 27 27 ASP H H 1 8.479 0.01 . 1 . . . . . 27 ASP H . 26636 8 38 . 1 . 1 27 27 ASP N N 15 123.26 0.03 . 1 . . . . . 27 ASP N . 26636 8 39 . 1 . 1 29 29 GLY H H 1 8.641 0.01 . 1 . . . . . 29 GLY H . 26636 8 40 . 1 . 1 29 29 GLY N N 15 109.507 0.03 . 1 . . . . . 29 GLY N . 26636 8 41 . 1 . 1 30 30 LEU H H 1 8.053 0.01 . 1 . . . . . 30 LEU H . 26636 8 42 . 1 . 1 30 30 LEU N N 15 121.197 0.03 . 1 . . . . . 30 LEU N . 26636 8 43 . 1 . 1 31 31 PHE H H 1 8.241 0.01 . 1 . . . . . 31 PHE H . 26636 8 44 . 1 . 1 31 31 PHE N N 15 119.644 0.03 . 1 . . . . . 31 PHE N . 26636 8 45 . 1 . 1 33 33 PHE H H 1 8.202 0.01 . 1 . . . . . 33 PHE H . 26636 8 46 . 1 . 1 33 33 PHE N N 15 120.552 0.03 . 1 . . . . . 33 PHE N . 26636 8 47 . 1 . 1 35 35 GLY H H 1 8.092 0.01 . 1 . . . . . 35 GLY H . 26636 8 48 . 1 . 1 35 35 GLY N N 15 109.101 0.03 . 1 . . . . . 35 GLY N . 26636 8 49 . 1 . 1 36 36 LYS H H 1 8.165 0.01 . 1 . . . . . 36 LYS H . 26636 8 50 . 1 . 1 36 36 LYS N N 15 121.3 0.03 . 1 . . . . . 36 LYS N . 26636 8 51 . 1 . 1 37 37 LYS H H 1 8.603 0.01 . 1 . . . . . 37 LYS H . 26636 8 52 . 1 . 1 37 37 LYS N N 15 123.666 0.03 . 1 . . . . . 37 LYS N . 26636 8 53 . 1 . 1 38 38 LYS H H 1 8.583 0.01 . 1 . . . . . 38 LYS H . 26636 8 54 . 1 . 1 38 38 LYS N N 15 124.001 0.03 . 1 . . . . . 38 LYS N . 26636 8 55 . 1 . 1 39 39 ASP H H 1 8.56 0.01 . 1 . . . . . 39 ASP H . 26636 8 56 . 1 . 1 39 39 ASP N N 15 122.342 0.03 . 1 . . . . . 39 ASP N . 26636 8 57 . 1 . 1 41 41 THR H H 1 8.455 0.01 . 1 . . . . . 41 THR H . 26636 8 58 . 1 . 1 41 41 THR N N 15 116.425 0.03 . 1 . . . . . 41 THR N . 26636 8 59 . 1 . 1 44 44 GLU H H 1 8.76 0.01 . 1 . . . . . 44 GLU H . 26636 8 60 . 1 . 1 44 44 GLU N N 15 121.579 0.03 . 1 . . . . . 44 GLU N . 26636 8 61 . 1 . 1 46 46 THR H H 1 8.507 0.01 . 1 . . . . . 46 THR H . 26636 8 62 . 1 . 1 46 46 THR N N 15 119.795 0.03 . 1 . . . . . 46 THR N . 26636 8 63 . 1 . 1 49 49 ALA H H 1 8.604 0.01 . 1 . . . . . 49 ALA H . 26636 8 64 . 1 . 1 49 49 ALA N N 15 129.481 0.03 . 1 . . . . . 49 ALA N . 26636 8 65 . 1 . 1 50 50 SER H H 1 8.512 0.01 . 1 . . . . . 50 SER H . 26636 8 66 . 1 . 1 50 50 SER N N 15 116.191 0.03 . 1 . . . . . 50 SER N . 26636 8 67 . 1 . 1 52 52 PHE H H 1 8.251 0.01 . 1 . . . . . 52 PHE H . 26636 8 68 . 1 . 1 52 52 PHE N N 15 120.289 0.03 . 1 . . . . . 52 PHE N . 26636 8 69 . 1 . 1 53 53 GLU H H 1 8.238 0.01 . 1 . . . . . 53 GLU H . 26636 8 70 . 1 . 1 53 53 GLU N N 15 122.624 0.03 . 1 . . . . . 53 GLU N . 26636 8 71 . 1 . 1 54 54 GLN H H 1 8.507 0.01 . 1 . . . . . 54 GLN H . 26636 8 72 . 1 . 1 54 54 GLN N N 15 122.452 0.03 . 1 . . . . . 54 GLN N . 26636 8 73 . 1 . 1 57 57 HIS H H 1 8.663 0.01 . 1 . . . . . 57 HIS H . 26636 8 74 . 1 . 1 57 57 HIS N N 15 125.362 0.03 . 1 . . . . . 57 HIS N . 26636 8 75 . 1 . 1 58 58 ILE H H 1 8.335 0.01 . 1 . . . . . 58 ILE H . 26636 8 76 . 1 . 1 58 58 ILE N N 15 125.096 0.03 . 1 . . . . . 58 ILE N . 26636 8 77 . 1 . 1 59 59 SER H H 1 8.565 0.01 . 1 . . . . . 59 SER H . 26636 8 78 . 1 . 1 59 59 SER N N 15 121.331 0.03 . 1 . . . . . 59 SER N . 26636 8 79 . 1 . 1 60 60 GLU H H 1 8.601 0.01 . 1 . . . . . 60 GLU H . 26636 8 80 . 1 . 1 60 60 GLU N N 15 124.813 0.03 . 1 . . . . . 60 GLU N . 26636 8 81 . 1 . 1 64 64 GLU H H 1 8.654 0.01 . 1 . . . . . 64 GLU H . 26636 8 82 . 1 . 1 64 64 GLU N N 15 122.194 0.03 . 1 . . . . . 64 GLU N . 26636 8 83 . 1 . 1 66 66 LYS H H 1 8.586 0.01 . 1 . . . . . 66 LYS H . 26636 8 84 . 1 . 1 66 66 LYS N N 15 126.607 0.03 . 1 . . . . . 66 LYS N . 26636 8 85 . 1 . 1 67 67 HIS H H 1 8.61 0.01 . 1 . . . . . 67 HIS H . 26636 8 86 . 1 . 1 67 67 HIS N N 15 122.756 0.03 . 1 . . . . . 67 HIS N . 26636 8 87 . 1 . 1 68 68 GLU H H 1 8.679 0.01 . 1 . . . . . 68 GLU H . 26636 8 88 . 1 . 1 68 68 GLU N N 15 123.418 0.03 . 1 . . . . . 68 GLU N . 26636 8 89 . 1 . 1 69 69 SER H H 1 8.721 0.01 . 1 . . . . . 69 SER H . 26636 8 90 . 1 . 1 69 69 SER N N 15 118.267 0.03 . 1 . . . . . 69 SER N . 26636 8 91 . 1 . 1 70 70 LEU H H 1 8.504 0.01 . 1 . . . . . 70 LEU H . 26636 8 92 . 1 . 1 70 70 LEU N N 15 124.31 0.03 . 1 . . . . . 70 LEU N . 26636 8 93 . 1 . 1 71 71 LEU H H 1 8.156 0.01 . 1 . . . . . 71 LEU H . 26636 8 94 . 1 . 1 71 71 LEU N N 15 121.441 0.03 . 1 . . . . . 71 LEU N . 26636 8 95 . 1 . 1 72 72 GLU H H 1 8.231 0.01 . 1 . . . . . 72 GLU H . 26636 8 96 . 1 . 1 72 72 GLU N N 15 121.226 0.03 . 1 . . . . . 72 GLU N . 26636 8 97 . 1 . 1 74 74 LEU H H 1 8.241 0.01 . 1 . . . . . 74 LEU H . 26636 8 98 . 1 . 1 74 74 LEU N N 15 122.582 0.03 . 1 . . . . . 74 LEU N . 26636 8 99 . 1 . 1 75 75 HIS H H 1 8.372 0.01 . 1 . . . . . 75 HIS H . 26636 8 100 . 1 . 1 75 75 HIS N N 15 120.38 0.03 . 1 . . . . . 75 HIS N . 26636 8 101 . 1 . 1 77 77 SER H H 1 8.625 0.01 . 1 . . . . . 77 SER H . 26636 8 102 . 1 . 1 77 77 SER N N 15 117.665 0.03 . 1 . . . . . 77 SER N . 26636 8 103 . 1 . 1 79 79 SER H H 1 8.446 0.01 . 1 . . . . . 79 SER H . 26636 8 104 . 1 . 1 79 79 SER N N 15 116.666 0.03 . 1 . . . . . 79 SER N . 26636 8 105 . 1 . 1 80 80 SER H H 1 8.552 0.01 . 1 . . . . . 80 SER H . 26636 8 106 . 1 . 1 80 80 SER N N 15 118.411 0.03 . 1 . . . . . 80 SER N . 26636 8 107 . 1 . 1 81 81 SER H H 1 8.483 0.01 . 1 . . . . . 81 SER H . 26636 8 108 . 1 . 1 81 81 SER N N 15 118.09 0.03 . 1 . . . . . 81 SER N . 26636 8 109 . 1 . 1 82 82 SER H H 1 8.515 0.01 . 1 . . . . . 82 SER H . 26636 8 110 . 1 . 1 82 82 SER N N 15 118.232 0.03 . 1 . . . . . 82 SER N . 26636 8 111 . 1 . 1 83 83 SER H H 1 8.541 0.01 . 1 . . . . . 83 SER H . 26636 8 112 . 1 . 1 83 83 SER N N 15 118.339 0.03 . 1 . . . . . 83 SER N . 26636 8 113 . 1 . 1 84 84 SER H H 1 8.538 0.01 . 1 . . . . . 84 SER H . 26636 8 114 . 1 . 1 84 84 SER N N 15 118.313 0.03 . 1 . . . . . 84 SER N . 26636 8 115 . 1 . 1 85 85 SER H H 1 8.536 0.01 . 1 . . . . . 85 SER H . 26636 8 116 . 1 . 1 85 85 SER N N 15 118.329 0.03 . 1 . . . . . 85 SER N . 26636 8 117 . 1 . 1 87 87 GLU H H 1 8.483 0.01 . 1 . . . . . 87 GLU H . 26636 8 118 . 1 . 1 87 87 GLU N N 15 121.621 0.03 . 1 . . . . . 87 GLU N . 26636 8 119 . 1 . 1 89 89 GLY H H 1 8.634 0.01 . 1 . . . . . 89 GLY H . 26636 8 120 . 1 . 1 89 89 GLY N N 15 110.475 0.03 . 1 . . . . . 89 GLY N . 26636 8 121 . 1 . 1 90 90 SER H H 1 8.472 0.01 . 1 . . . . . 90 SER H . 26636 8 122 . 1 . 1 90 90 SER N N 15 116.199 0.03 . 1 . . . . . 90 SER N . 26636 8 123 . 1 . 1 91 91 ASP H H 1 8.691 0.01 . 1 . . . . . 91 ASP H . 26636 8 124 . 1 . 1 91 91 ASP N N 15 122.226 0.03 . 1 . . . . . 91 ASP N . 26636 8 125 . 1 . 1 92 92 GLY H H 1 8.484 0.01 . 1 . . . . . 92 GLY H . 26636 8 126 . 1 . 1 92 92 GLY N N 15 109.1 0.03 . 1 . . . . . 92 GLY N . 26636 8 127 . 1 . 1 102 102 LYS H H 1 8.559 0.01 . 1 . . . . . 102 LYS H . 26636 8 128 . 1 . 1 102 102 LYS N N 15 124.266 0.03 . 1 . . . . . 102 LYS N . 26636 8 129 . 1 . 1 103 103 LYS H H 1 8.649 0.01 . 1 . . . . . 103 LYS H . 26636 8 130 . 1 . 1 103 103 LYS N N 15 125.645 0.03 . 1 . . . . . 103 LYS N . 26636 8 131 . 1 . 1 105 105 THR H H 1 8.581 0.01 . 1 . . . . . 105 THR H . 26636 8 132 . 1 . 1 105 105 THR N N 15 115.713 0.03 . 1 . . . . . 105 THR N . 26636 8 133 . 1 . 1 106 106 THR H H 1 8.29 0.01 . 1 . . . . . 106 THR H . 26636 8 134 . 1 . 1 106 106 THR N N 15 116.488 0.03 . 1 . . . . . 106 THR N . 26636 8 135 . 1 . 1 109 109 GLU H H 1 8.56 0.01 . 1 . . . . . 109 GLU H . 26636 8 136 . 1 . 1 109 109 GLU N N 15 125.753 0.03 . 1 . . . . . 109 GLU N . 26636 8 137 . 1 . 1 110 110 VAL H H 1 8.506 0.01 . 1 . . . . . 110 VAL H . 26636 8 138 . 1 . 1 110 110 VAL N N 15 124.181 0.03 . 1 . . . . . 110 VAL N . 26636 8 139 . 1 . 1 111 111 LYS H H 1 8.606 0.01 . 1 . . . . . 111 LYS H . 26636 8 140 . 1 . 1 111 111 LYS N N 15 126.379 0.03 . 1 . . . . . 111 LYS N . 26636 8 141 . 1 . 1 112 112 GLU H H 1 8.664 0.01 . 1 . . . . . 112 GLU H . 26636 8 142 . 1 . 1 112 112 GLU N N 15 123.423 0.03 . 1 . . . . . 112 GLU N . 26636 8 143 . 1 . 1 113 113 GLU H H 1 8.737 0.01 . 1 . . . . . 113 GLU H . 26636 8 144 . 1 . 1 113 113 GLU N N 15 121.829 0.03 . 1 . . . . . 113 GLU N . 26636 8 145 . 1 . 1 114 114 GLU H H 1 8.456 0.01 . 1 . . . . . 114 GLU H . 26636 8 146 . 1 . 1 114 114 GLU N N 15 122.273 0.03 . 1 . . . . . 114 GLU N . 26636 8 147 . 1 . 1 117 117 GLY H H 1 8.581 0.01 . 1 . . . . . 117 GLY H . 26636 8 148 . 1 . 1 117 117 GLY N N 15 110.068 0.03 . 1 . . . . . 117 GLY N . 26636 8 149 . 1 . 1 118 118 PHE H H 1 8.192 0.01 . 1 . . . . . 118 PHE H . 26636 8 150 . 1 . 1 118 118 PHE N N 15 120.769 0.03 . 1 . . . . . 118 PHE N . 26636 8 151 . 1 . 1 122 122 LEU H H 1 8.239 0.01 . 1 . . . . . 122 LEU H . 26636 8 152 . 1 . 1 122 122 LEU N N 15 123.221 0.03 . 1 . . . . . 122 LEU N . 26636 8 153 . 1 . 1 126 126 LEU H H 1 8.464 0.01 . 1 . . . . . 126 LEU H . 26636 8 154 . 1 . 1 126 126 LEU N N 15 125.48 0.03 . 1 . . . . . 126 LEU N . 26636 8 155 . 1 . 1 128 128 GLY H H 1 8.601 0.01 . 1 . . . . . 128 GLY H . 26636 8 156 . 1 . 1 128 128 GLY N N 15 109.351 0.03 . 1 . . . . . 128 GLY N . 26636 8 157 . 1 . 1 129 129 HIS H H 1 8.208 0.01 . 1 . . . . . 129 HIS H . 26636 8 158 . 1 . 1 129 129 HIS N N 15 119.757 0.03 . 1 . . . . . 129 HIS N . 26636 8 159 . 1 . 1 130 130 LYS H H 1 8.4 0.01 . 1 . . . . . 130 LYS H . 26636 8 160 . 1 . 1 130 130 LYS N N 15 123.857 0.03 . 1 . . . . . 130 LYS N . 26636 8 161 . 1 . 1 131 131 LYS H H 1 8.662 0.01 . 1 . . . . . 131 LYS H . 26636 8 162 . 1 . 1 131 131 LYS N N 15 125.584 0.03 . 1 . . . . . 131 LYS N . 26636 8 163 . 1 . 1 133 133 GLU H H 1 8.852 0.01 . 1 . . . . . 133 GLU H . 26636 8 164 . 1 . 1 133 133 GLU N N 15 121.507 0.03 . 1 . . . . . 133 GLU N . 26636 8 165 . 1 . 1 134 134 ASP H H 1 8.46 0.01 . 1 . . . . . 134 ASP H . 26636 8 166 . 1 . 1 134 134 ASP N N 15 121.949 0.03 . 1 . . . . . 134 ASP N . 26636 8 167 . 1 . 1 135 135 GLY H H 1 8.573 0.01 . 1 . . . . . 135 GLY H . 26636 8 168 . 1 . 1 135 135 GLY N N 15 110.415 0.03 . 1 . . . . . 135 GLY N . 26636 8 169 . 1 . 1 136 136 SER H H 1 8.333 0.01 . 1 . . . . . 136 SER H . 26636 8 170 . 1 . 1 136 136 SER N N 15 116.16 0.03 . 1 . . . . . 136 SER N . 26636 8 171 . 1 . 1 137 137 ALA H H 1 8.428 0.01 . 1 . . . . . 137 ALA H . 26636 8 172 . 1 . 1 137 137 ALA N N 15 126.069 0.03 . 1 . . . . . 137 ALA N . 26636 8 173 . 1 . 1 138 138 VAL H H 1 8.203 0.01 . 1 . . . . . 138 VAL H . 26636 8 174 . 1 . 1 138 138 VAL N N 15 120.208 0.03 . 1 . . . . . 138 VAL N . 26636 8 175 . 1 . 1 139 139 ALA H H 1 8.506 0.01 . 1 . . . . . 139 ALA H . 26636 8 176 . 1 . 1 139 139 ALA N N 15 128.889 0.03 . 1 . . . . . 139 ALA N . 26636 8 177 . 1 . 1 140 140 ALA H H 1 8.418 0.01 . 1 . . . . . 140 ALA H . 26636 8 178 . 1 . 1 140 140 ALA N N 15 124.358 0.03 . 1 . . . . . 140 ALA N . 26636 8 179 . 1 . 1 141 141 ALA H H 1 8.427 0.01 . 1 . . . . . 141 ALA H . 26636 8 180 . 1 . 1 141 141 ALA N N 15 125.608 0.03 . 1 . . . . . 141 ALA N . 26636 8 181 . 1 . 1 144 144 VAL H H 1 8.527 0.01 . 1 . . . . . 144 VAL H . 26636 8 182 . 1 . 1 144 144 VAL N N 15 127.021 0.03 . 1 . . . . . 144 VAL N . 26636 8 183 . 1 . 1 145 145 VAL H H 1 8.63 0.01 . 1 . . . . . 145 VAL H . 26636 8 184 . 1 . 1 145 145 VAL N N 15 128.944 0.03 . 1 . . . . . 145 VAL N . 26636 8 185 . 1 . 1 149 149 VAL H H 1 8.416 0.01 . 1 . . . . . 149 VAL H . 26636 8 186 . 1 . 1 149 149 VAL N N 15 121.415 0.03 . 1 . . . . . 149 VAL N . 26636 8 187 . 1 . 1 150 150 GLU H H 1 8.662 0.01 . 1 . . . . . 150 GLU H . 26636 8 188 . 1 . 1 150 150 GLU N N 15 125.683 0.03 . 1 . . . . . 150 GLU N . 26636 8 189 . 1 . 1 153 153 HIS H H 1 8.516 0.01 . 1 . . . . . 153 HIS H . 26636 8 190 . 1 . 1 153 153 HIS N N 15 120.264 0.03 . 1 . . . . . 153 HIS N . 26636 8 191 . 1 . 1 155 155 VAL H H 1 8.544 0.01 . 1 . . . . . 155 VAL H . 26636 8 192 . 1 . 1 155 155 VAL N N 15 121.599 0.03 . 1 . . . . . 155 VAL N . 26636 8 193 . 1 . 1 156 156 GLU H H 1 8.671 0.01 . 1 . . . . . 156 GLU H . 26636 8 194 . 1 . 1 156 156 GLU N N 15 125.729 0.03 . 1 . . . . . 156 GLU N . 26636 8 195 . 1 . 1 159 159 GLY H H 1 8.647 0.01 . 1 . . . . . 159 GLY H . 26636 8 196 . 1 . 1 159 159 GLY N N 15 110.615 0.03 . 1 . . . . . 159 GLY N . 26636 8 197 . 1 . 1 160 160 ILE H H 1 8.163 0.01 . 1 . . . . . 160 ILE H . 26636 8 198 . 1 . 1 160 160 ILE N N 15 120.562 0.03 . 1 . . . . . 160 ILE N . 26636 8 199 . 1 . 1 168 168 LEU H H 1 8.411 0.01 . 1 . . . . . 168 LEU H . 26636 8 200 . 1 . 1 168 168 LEU N N 15 125.485 0.03 . 1 . . . . . 168 LEU N . 26636 8 201 . 1 . 1 170 170 GLY H H 1 8.677 0.01 . 1 . . . . . 170 GLY H . 26636 8 202 . 1 . 1 170 170 GLY N N 15 109.811 0.03 . 1 . . . . . 170 GLY N . 26636 8 203 . 1 . 1 171 171 TYR H H 1 8.03 0.01 . 1 . . . . . 171 TYR H . 26636 8 204 . 1 . 1 171 171 TYR N N 15 120.756 0.03 . 1 . . . . . 171 TYR N . 26636 8 205 . 1 . 1 172 172 HIS H H 1 8.254 0.01 . 1 . . . . . 172 HIS H . 26636 8 206 . 1 . 1 172 172 HIS N N 15 125.329 0.03 . 1 . . . . . 172 HIS N . 26636 8 207 . 1 . 1 174 174 LYS H H 1 8.735 0.01 . 1 . . . . . 174 LYS H . 26636 8 208 . 1 . 1 174 174 LYS N N 15 122.248 0.03 . 1 . . . . . 174 LYS N . 26636 8 209 . 1 . 1 175 175 THR H H 1 8.435 0.01 . 1 . . . . . 175 THR H . 26636 8 210 . 1 . 1 175 175 THR N N 15 116.429 0.03 . 1 . . . . . 175 THR N . 26636 8 211 . 1 . 1 176 176 THR H H 1 8.394 0.01 . 1 . . . . . 176 THR H . 26636 8 212 . 1 . 1 176 176 THR N N 15 117.597 0.03 . 1 . . . . . 176 THR N . 26636 8 213 . 1 . 1 178 178 GLU H H 1 8.623 0.01 . 1 . . . . . 178 GLU H . 26636 8 214 . 1 . 1 178 178 GLU N N 15 125.2 0.03 . 1 . . . . . 178 GLU N . 26636 8 215 . 1 . 1 183 183 ASP H H 1 8.523 0.01 . 1 . . . . . 183 ASP H . 26636 8 216 . 1 . 1 183 183 ASP N N 15 121.755 0.03 . 1 . . . . . 183 ASP N . 26636 8 217 . 1 . 1 184 184 LYS H H 1 8.329 0.01 . 1 . . . . . 184 LYS H . 26636 8 218 . 1 . 1 184 184 LYS N N 15 121.42 0.03 . 1 . . . . . 184 LYS N . 26636 8 219 . 1 . 1 185 185 GLU H H 1 8.19 0.01 . 1 . . . . . 185 GLU H . 26636 8 220 . 1 . 1 185 185 GLU N N 15 127.656 0.03 . 1 . . . . . 185 GLU N . 26636 8 stop_ save_