################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53291 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '0:1 myosin S2delta : 15N wild-type M-domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53291 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53291 1 2 $software_2 . . 53291 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 8 8 GLU H H 1 8.376 0.005 . 1 . . . . . 8 GLU H . 53291 1 2 . 1 . 1 8 8 GLU N N 15 123.401 0.010 . 1 . . . . . 8 GLU N . 53291 1 3 . 1 . 1 9 9 SER H H 1 8.416 0.005 . 1 . . . . . 9 SER H . 53291 1 4 . 1 . 1 9 9 SER N N 15 118.003 0.010 . 1 . . . . . 9 SER N . 53291 1 5 . 1 . 1 10 10 THR H H 1 8.170 0.005 . 1 . . . . . 10 THR H . 53291 1 6 . 1 . 1 10 10 THR N N 15 116.377 0.010 . 1 . . . . . 10 THR N . 53291 1 7 . 1 . 1 11 11 GLY H H 1 8.350 0.005 . 1 . . . . . 11 GLY H . 53291 1 8 . 1 . 1 11 11 GLY N N 15 111.925 0.010 . 1 . . . . . 11 GLY N . 53291 1 9 . 1 . 1 12 12 THR H H 1 8.019 0.005 . 1 . . . . . 12 THR H . 53291 1 10 . 1 . 1 12 12 THR N N 15 114.312 0.010 . 1 . . . . . 12 THR N . 53291 1 11 . 1 . 1 13 13 THR H H 1 8.186 0.005 . 1 . . . . . 13 THR H . 53291 1 12 . 1 . 1 13 13 THR N N 15 119.891 0.010 . 1 . . . . . 13 THR N . 53291 1 13 . 1 . 1 15 15 ASN H H 1 8.432 0.005 . 1 . . . . . 15 ASN H . 53291 1 14 . 1 . 1 15 15 ASN N N 15 120.000 0.010 . 1 . . . . . 15 ASN N . 53291 1 15 . 1 . 1 16 16 ILE H H 1 7.959 0.005 . 1 . . . . . 16 ILE H . 53291 1 16 . 1 . 1 16 16 ILE N N 15 121.508 0.010 . 1 . . . . . 16 ILE N . 53291 1 17 . 1 . 1 17 17 ASP H H 1 8.316 0.005 . 1 . . . . . 17 ASP H . 53291 1 18 . 1 . 1 17 17 ASP N N 15 125.285 0.010 . 1 . . . . . 17 ASP N . 53291 1 19 . 1 . 1 18 18 ILE H H 1 8.061 0.005 . 1 . . . . . 18 ILE H . 53291 1 20 . 1 . 1 18 18 ILE N N 15 122.795 0.010 . 1 . . . . . 18 ILE N . 53291 1 21 . 1 . 1 19 19 ARG H H 1 8.264 0.005 . 1 . . . . . 19 ARG H . 53291 1 22 . 1 . 1 19 19 ARG N N 15 123.942 0.010 . 1 . . . . . 19 ARG N . 53291 1 23 . 1 . 1 20 20 SER H H 1 8.058 0.005 . 1 . . . . . 20 SER H . 53291 1 24 . 1 . 1 20 20 SER N N 15 116.701 0.010 . 1 . . . . . 20 SER N . 53291 1 25 . 1 . 1 21 21 ALA H H 1 8.081 0.005 . 1 . . . . . 21 ALA H . 53291 1 26 . 1 . 1 21 21 ALA N N 15 126.136 0.010 . 1 . . . . . 21 ALA N . 53291 1 27 . 1 . 1 22 22 PHE H H 1 7.930 0.005 . 1 . . . . . 22 PHE H . 53291 1 28 . 1 . 1 22 22 PHE N N 15 119.422 0.010 . 1 . . . . . 22 PHE N . 53291 1 29 . 1 . 1 23 23 LYS H H 1 7.997 0.005 . 1 . . . . . 23 LYS H . 53291 1 30 . 1 . 1 23 23 LYS N N 15 123.908 0.010 . 1 . . . . . 23 LYS N . 53291 1 31 . 1 . 1 24 24 ARG H H 1 8.312 0.005 . 1 . . . . . 24 ARG H . 53291 1 32 . 1 . 1 24 24 ARG N N 15 123.701 0.010 . 1 . . . . . 24 ARG N . 53291 1 33 . 1 . 1 25 25 SER H H 1 8.357 0.005 . 1 . . . . . 25 SER H . 53291 1 34 . 1 . 1 25 25 SER N N 15 118.098 0.010 . 1 . . . . . 25 SER N . 53291 1 35 . 1 . 1 26 26 GLY H H 1 8.412 0.005 . 1 . . . . . 26 GLY H . 53291 1 36 . 1 . 1 26 26 GLY N N 15 111.968 0.010 . 1 . . . . . 26 GLY N . 53291 1 37 . 1 . 1 27 27 GLU H H 1 8.213 0.005 . 1 . . . . . 27 GLU H . 53291 1 38 . 1 . 1 27 27 GLU N N 15 121.320 0.010 . 1 . . . . . 27 GLU N . 53291 1 39 . 1 . 1 28 28 GLY H H 1 8.525 0.005 . 1 . . . . . 28 GLY H . 53291 1 40 . 1 . 1 28 28 GLY N N 15 111.272 0.010 . 1 . . . . . 28 GLY N . 53291 1 41 . 1 . 1 29 29 GLN H H 1 8.156 0.005 . 1 . . . . . 29 GLN H . 53291 1 42 . 1 . 1 29 29 GLN N N 15 120.481 0.010 . 1 . . . . . 29 GLN N . 53291 1 43 . 1 . 1 30 30 GLU H H 1 8.568 0.005 . 1 . . . . . 30 GLU H . 53291 1 44 . 1 . 1 30 30 GLU N N 15 122.922 0.010 . 1 . . . . . 30 GLU N . 53291 1 45 . 1 . 1 31 31 ASP H H 1 8.322 0.005 . 1 . . . . . 31 ASP H . 53291 1 46 . 1 . 1 31 31 ASP N N 15 122.212 0.010 . 1 . . . . . 31 ASP N . 53291 1 47 . 1 . 1 32 32 ALA H H 1 8.225 0.005 . 1 . . . . . 32 ALA H . 53291 1 48 . 1 . 1 32 32 ALA N N 15 125.767 0.010 . 1 . . . . . 32 ALA N . 53291 1 49 . 1 . 1 33 33 GLY H H 1 8.334 0.005 . 1 . . . . . 33 GLY H . 53291 1 50 . 1 . 1 33 33 GLY N N 15 108.619 0.010 . 1 . . . . . 33 GLY N . 53291 1 51 . 1 . 1 34 34 GLU H H 1 8.179 0.005 . 1 . . . . . 34 GLU H . 53291 1 52 . 1 . 1 34 34 GLU N N 15 121.218 0.010 . 1 . . . . . 34 GLU N . 53291 1 53 . 1 . 1 35 35 LEU H H 1 8.121 0.005 . 1 . . . . . 35 LEU H . 53291 1 54 . 1 . 1 35 35 LEU N N 15 123.331 0.010 . 1 . . . . . 35 LEU N . 53291 1 55 . 1 . 1 36 36 ASP H H 1 8.125 0.005 . 1 . . . . . 36 ASP H . 53291 1 56 . 1 . 1 36 36 ASP N N 15 121.605 0.010 . 1 . . . . . 36 ASP N . 53291 1 57 . 1 . 1 37 37 PHE H H 1 8.274 0.005 . 1 . . . . . 37 PHE H . 53291 1 58 . 1 . 1 37 37 PHE N N 15 122.759 0.010 . 1 . . . . . 37 PHE N . 53291 1 59 . 1 . 1 38 38 SER H H 1 8.313 0.005 . 1 . . . . . 38 SER H . 53291 1 60 . 1 . 1 38 38 SER N N 15 117.503 0.010 . 1 . . . . . 38 SER N . 53291 1 61 . 1 . 1 39 39 GLY H H 1 8.106 0.005 . 1 . . . . . 39 GLY H . 53291 1 62 . 1 . 1 39 39 GLY N N 15 111.365 0.010 . 1 . . . . . 39 GLY N . 53291 1 63 . 1 . 1 40 40 LEU H H 1 7.850 0.005 . 1 . . . . . 40 LEU H . 53291 1 64 . 1 . 1 40 40 LEU N N 15 122.188 0.010 . 1 . . . . . 40 LEU N . 53291 1 65 . 1 . 1 41 41 LEU H H 1 7.983 0.005 . 1 . . . . . 41 LEU H . 53291 1 66 . 1 . 1 41 41 LEU N N 15 121.750 0.010 . 1 . . . . . 41 LEU N . 53291 1 67 . 1 . 1 42 42 LYS H H 1 8.003 0.005 . 1 . . . . . 42 LYS H . 53291 1 68 . 1 . 1 42 42 LYS N N 15 122.268 0.010 . 1 . . . . . 42 LYS N . 53291 1 69 . 1 . 1 43 43 ARG H H 1 8.137 0.005 . 1 . . . . . 43 ARG H . 53291 1 70 . 1 . 1 43 43 ARG N N 15 122.684 0.010 . 1 . . . . . 43 ARG N . 53291 1 71 . 1 . 1 44 44 ARG H H 1 8.249 0.005 . 1 . . . . . 44 ARG H . 53291 1 72 . 1 . 1 44 44 ARG N N 15 123.147 0.010 . 1 . . . . . 44 ARG N . 53291 1 73 . 1 . 1 45 45 GLU H H 1 8.369 0.005 . 1 . . . . . 45 GLU H . 53291 1 74 . 1 . 1 45 45 GLU N N 15 123.252 0.010 . 1 . . . . . 45 GLU N . 53291 1 75 . 1 . 1 46 46 VAL H H 1 8.099 0.005 . 1 . . . . . 46 VAL H . 53291 1 76 . 1 . 1 46 46 VAL N N 15 122.561 0.010 . 1 . . . . . 46 VAL N . 53291 1 77 . 1 . 1 47 47 LYS H H 1 8.340 0.005 . 1 . . . . . 47 LYS H . 53291 1 78 . 1 . 1 47 47 LYS N N 15 126.149 0.010 . 1 . . . . . 47 LYS N . 53291 1 79 . 1 . 1 48 48 GLN H H 1 8.394 0.005 . 1 . . . . . 48 GLN H . 53291 1 80 . 1 . 1 48 48 GLN N N 15 122.932 0.010 . 1 . . . . . 48 GLN N . 53291 1 81 . 1 . 1 49 49 GLN H H 1 8.385 0.005 . 1 . . . . . 49 GLN H . 53291 1 82 . 1 . 1 49 49 GLN N N 15 122.289 0.010 . 1 . . . . . 49 GLN N . 53291 1 83 . 1 . 1 50 50 GLU H H 1 8.418 0.005 . 1 . . . . . 50 GLU H . 53291 1 84 . 1 . 1 50 50 GLU N N 15 122.825 0.010 . 1 . . . . . 50 GLU N . 53291 1 85 . 1 . 1 51 51 GLU H H 1 8.328 0.005 . 1 . . . . . 51 GLU H . 53291 1 86 . 1 . 1 51 51 GLU N N 15 122.299 0.010 . 1 . . . . . 51 GLU N . 53291 1 87 . 1 . 1 52 52 GLU H H 1 8.343 0.005 . 1 . . . . . 52 GLU H . 53291 1 88 . 1 . 1 52 52 GLU N N 15 124.245 0.010 . 1 . . . . . 52 GLU N . 53291 1 89 . 1 . 1 54 54 GLN H H 1 8.507 0.005 . 1 . . . . . 54 GLN H . 53291 1 90 . 1 . 1 54 54 GLN N N 15 122.033 0.010 . 1 . . . . . 54 GLN N . 53291 1 91 . 1 . 1 55 55 VAL H H 1 8.080 0.005 . 1 . . . . . 55 VAL H . 53291 1 92 . 1 . 1 55 55 VAL N N 15 122.270 0.010 . 1 . . . . . 55 VAL N . 53291 1 93 . 1 . 1 56 56 ASP H H 1 8.359 0.005 . 1 . . . . . 56 ASP H . 53291 1 94 . 1 . 1 56 56 ASP N N 15 125.712 0.010 . 1 . . . . . 56 ASP N . 53291 1 95 . 1 . 1 57 57 VAL H H 1 8.153 0.005 . 1 . . . . . 57 VAL H . 53291 1 96 . 1 . 1 57 57 VAL N N 15 124.895 0.010 . 1 . . . . . 57 VAL N . 53291 1 97 . 1 . 1 58 58 TRP H H 1 7.581 0.005 . 1 . . . . . 58 TRP H . 53291 1 98 . 1 . 1 58 58 TRP N N 15 122.050 0.010 . 1 . . . . . 58 TRP N . 53291 1 99 . 1 . 1 59 59 GLU H H 1 7.510 0.005 . 1 . . . . . 59 GLU H . 53291 1 100 . 1 . 1 59 59 GLU N N 15 119.421 0.010 . 1 . . . . . 59 GLU N . 53291 1 101 . 1 . 1 60 60 LEU H H 1 7.381 0.005 . 1 . . . . . 60 LEU H . 53291 1 102 . 1 . 1 60 60 LEU N N 15 119.156 0.010 . 1 . . . . . 60 LEU N . 53291 1 103 . 1 . 1 61 61 LEU H H 1 8.053 0.005 . 1 . . . . . 61 LEU H . 53291 1 104 . 1 . 1 61 61 LEU N N 15 118.935 0.010 . 1 . . . . . 61 LEU N . 53291 1 105 . 1 . 1 62 62 LYS H H 1 7.933 0.005 . 1 . . . . . 62 LYS H . 53291 1 106 . 1 . 1 62 62 LYS N N 15 119.309 0.010 . 1 . . . . . 62 LYS N . 53291 1 107 . 1 . 1 63 63 ASN H H 1 7.262 0.005 . 1 . . . . . 63 ASN H . 53291 1 108 . 1 . 1 63 63 ASN N N 15 114.622 0.010 . 1 . . . . . 63 ASN N . 53291 1 109 . 1 . 1 64 64 ALA H H 1 7.375 0.005 . 1 . . . . . 64 ALA H . 53291 1 110 . 1 . 1 64 64 ALA N N 15 124.572 0.010 . 1 . . . . . 64 ALA N . 53291 1 111 . 1 . 1 65 65 LYS H H 1 8.585 0.005 . 1 . . . . . 65 LYS H . 53291 1 112 . 1 . 1 65 65 LYS N N 15 122.375 0.010 . 1 . . . . . 65 LYS N . 53291 1 113 . 1 . 1 67 67 SER H H 1 7.610 0.005 . 1 . . . . . 67 SER H . 53291 1 114 . 1 . 1 67 67 SER N N 15 111.423 0.010 . 1 . . . . . 67 SER N . 53291 1 115 . 1 . 1 68 68 GLU H H 1 8.246 0.005 . 1 . . . . . 68 GLU H . 53291 1 116 . 1 . 1 68 68 GLU N N 15 121.291 0.010 . 1 . . . . . 68 GLU N . 53291 1 117 . 1 . 1 69 69 TYR H H 1 7.283 0.005 . 1 . . . . . 69 TYR H . 53291 1 118 . 1 . 1 69 69 TYR N N 15 118.874 0.010 . 1 . . . . . 69 TYR N . 53291 1 119 . 1 . 1 70 70 GLU H H 1 8.676 0.005 . 1 . . . . . 70 GLU H . 53291 1 120 . 1 . 1 70 70 GLU N N 15 117.893 0.010 . 1 . . . . . 70 GLU N . 53291 1 121 . 1 . 1 71 71 LYS H H 1 7.877 0.005 . 1 . . . . . 71 LYS H . 53291 1 122 . 1 . 1 71 71 LYS N N 15 121.742 0.010 . 1 . . . . . 71 LYS N . 53291 1 123 . 1 . 1 72 72 ILE H H 1 8.000 0.005 . 1 . . . . . 72 ILE H . 53291 1 124 . 1 . 1 72 72 ILE N N 15 122.106 0.010 . 1 . . . . . 72 ILE N . 53291 1 125 . 1 . 1 73 73 ALA H H 1 8.483 0.005 . 1 . . . . . 73 ALA H . 53291 1 126 . 1 . 1 73 73 ALA N N 15 121.649 0.010 . 1 . . . . . 73 ALA N . 53291 1 127 . 1 . 1 74 74 PHE H H 1 8.123 0.005 . 1 . . . . . 74 PHE H . 53291 1 128 . 1 . 1 74 74 PHE N N 15 117.802 0.010 . 1 . . . . . 74 PHE N . 53291 1 129 . 1 . 1 75 75 GLN H H 1 8.168 0.005 . 1 . . . . . 75 GLN H . 53291 1 130 . 1 . 1 75 75 GLN N N 15 120.850 0.010 . 1 . . . . . 75 GLN N . 53291 1 131 . 1 . 1 76 76 TYR H H 1 7.717 0.005 . 1 . . . . . 76 TYR H . 53291 1 132 . 1 . 1 76 76 TYR N N 15 114.859 0.010 . 1 . . . . . 76 TYR N . 53291 1 133 . 1 . 1 77 77 GLY H H 1 7.519 0.005 . 1 . . . . . 77 GLY H . 53291 1 134 . 1 . 1 77 77 GLY N N 15 110.240 0.010 . 1 . . . . . 77 GLY N . 53291 1 135 . 1 . 1 78 78 ILE H H 1 8.268 0.005 . 1 . . . . . 78 ILE H . 53291 1 136 . 1 . 1 78 78 ILE N N 15 121.869 0.010 . 1 . . . . . 78 ILE N . 53291 1 137 . 1 . 1 79 79 THR H H 1 8.216 0.005 . 1 . . . . . 79 THR H . 53291 1 138 . 1 . 1 79 79 THR N N 15 119.356 0.010 . 1 . . . . . 79 THR N . 53291 1 139 . 1 . 1 80 80 ASP H H 1 7.948 0.005 . 1 . . . . . 80 ASP H . 53291 1 140 . 1 . 1 80 80 ASP N N 15 123.016 0.010 . 1 . . . . . 80 ASP N . 53291 1 141 . 1 . 1 81 81 LEU H H 1 8.388 0.005 . 1 . . . . . 81 LEU H . 53291 1 142 . 1 . 1 81 81 LEU N N 15 126.485 0.010 . 1 . . . . . 81 LEU N . 53291 1 143 . 1 . 1 82 82 ARG H H 1 8.419 0.005 . 1 . . . . . 82 ARG H . 53291 1 144 . 1 . 1 82 82 ARG N N 15 118.887 0.010 . 1 . . . . . 82 ARG N . 53291 1 145 . 1 . 1 83 83 GLY H H 1 8.263 0.005 . 1 . . . . . 83 GLY H . 53291 1 146 . 1 . 1 83 83 GLY N N 15 109.334 0.010 . 1 . . . . . 83 GLY N . 53291 1 147 . 1 . 1 84 84 MET H H 1 7.891 0.005 . 1 . . . . . 84 MET H . 53291 1 148 . 1 . 1 84 84 MET N N 15 123.772 0.010 . 1 . . . . . 84 MET N . 53291 1 149 . 1 . 1 85 85 LEU H H 1 8.283 0.005 . 1 . . . . . 85 LEU H . 53291 1 150 . 1 . 1 85 85 LEU N N 15 119.619 0.010 . 1 . . . . . 85 LEU N . 53291 1 151 . 1 . 1 86 86 LYS H H 1 7.753 0.005 . 1 . . . . . 86 LYS H . 53291 1 152 . 1 . 1 86 86 LYS N N 15 120.194 0.010 . 1 . . . . . 86 LYS N . 53291 1 153 . 1 . 1 87 87 ARG H H 1 7.635 0.005 . 1 . . . . . 87 ARG H . 53291 1 154 . 1 . 1 87 87 ARG N N 15 120.564 0.010 . 1 . . . . . 87 ARG N . 53291 1 155 . 1 . 1 88 88 LEU H H 1 8.250 0.005 . 1 . . . . . 88 LEU H . 53291 1 156 . 1 . 1 88 88 LEU N N 15 121.248 0.010 . 1 . . . . . 88 LEU N . 53291 1 157 . 1 . 1 89 89 LYS H H 1 7.923 0.005 . 1 . . . . . 89 LYS H . 53291 1 158 . 1 . 1 89 89 LYS N N 15 119.358 0.010 . 1 . . . . . 89 LYS N . 53291 1 159 . 1 . 1 90 90 ARG H H 1 7.593 0.005 . 1 . . . . . 90 ARG H . 53291 1 160 . 1 . 1 90 90 ARG N N 15 119.773 0.010 . 1 . . . . . 90 ARG N . 53291 1 161 . 1 . 1 91 91 MET H H 1 8.013 0.005 . 1 . . . . . 91 MET H . 53291 1 162 . 1 . 1 91 91 MET N N 15 120.043 0.010 . 1 . . . . . 91 MET N . 53291 1 163 . 1 . 1 92 92 ARG H H 1 8.015 0.005 . 1 . . . . . 92 ARG H . 53291 1 164 . 1 . 1 92 92 ARG N N 15 120.694 0.010 . 1 . . . . . 92 ARG N . 53291 1 165 . 1 . 1 93 93 ARG H H 1 7.994 0.005 . 1 . . . . . 93 ARG H . 53291 1 166 . 1 . 1 93 93 ARG N N 15 122.001 0.010 . 1 . . . . . 93 ARG N . 53291 1 167 . 1 . 1 94 94 GLU H H 1 8.256 0.005 . 1 . . . . . 94 GLU H . 53291 1 168 . 1 . 1 94 94 GLU N N 15 121.725 0.010 . 1 . . . . . 94 GLU N . 53291 1 169 . 1 . 1 95 95 GLU H H 1 8.169 0.005 . 1 . . . . . 95 GLU H . 53291 1 170 . 1 . 1 95 95 GLU N N 15 122.874 0.010 . 1 . . . . . 95 GLU N . 53291 1 171 . 1 . 1 96 96 LYS H H 1 8.172 0.005 . 1 . . . . . 96 LYS H . 53291 1 172 . 1 . 1 96 96 LYS N N 15 122.796 0.010 . 1 . . . . . 96 LYS N . 53291 1 173 . 1 . 1 97 97 LYS H H 1 8.213 0.005 . 1 . . . . . 97 LYS H . 53291 1 174 . 1 . 1 97 97 LYS N N 15 123.249 0.010 . 1 . . . . . 97 LYS N . 53291 1 175 . 1 . 1 98 98 SER H H 1 8.200 0.005 . 1 . . . . . 98 SER H . 53291 1 176 . 1 . 1 98 98 SER N N 15 117.535 0.010 . 1 . . . . . 98 SER N . 53291 1 177 . 1 . 1 99 99 ALA H H 1 8.228 0.005 . 1 . . . . . 99 ALA H . 53291 1 178 . 1 . 1 99 99 ALA N N 15 126.917 0.010 . 1 . . . . . 99 ALA N . 53291 1 179 . 1 . 1 100 100 ALA H H 1 8.025 0.005 . 1 . . . . . 100 ALA H . 53291 1 180 . 1 . 1 100 100 ALA N N 15 123.288 0.010 . 1 . . . . . 100 ALA N . 53291 1 181 . 1 . 1 101 101 PHE H H 1 7.888 0.005 . 1 . . . . . 101 PHE H . 53291 1 182 . 1 . 1 101 101 PHE N N 15 119.408 0.010 . 1 . . . . . 101 PHE N . 53291 1 183 . 1 . 1 102 102 ALA H H 1 7.978 0.005 . 1 . . . . . 102 ALA H . 53291 1 184 . 1 . 1 102 102 ALA N N 15 126.848 0.010 . 1 . . . . . 102 ALA N . 53291 1 185 . 1 . 1 103 103 LYS H H 1 7.748 0.005 . 1 . . . . . 103 LYS H . 53291 1 186 . 1 . 1 103 103 LYS N N 15 126.881 0.010 . 1 . . . . . 103 LYS N . 53291 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53291 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name '1:10 myosin S2delta : 15N wild-type M-domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 53291 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53291 2 2 $software_2 . . 53291 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 8 8 GLU H H 1 8.376 0.005 . 1 . . . . . 8 GLU H . 53291 2 2 . 1 . 1 8 8 GLU N N 15 123.400 0.010 . 1 . . . . . 8 GLU N . 53291 2 3 . 1 . 1 9 9 SER H H 1 8.416 0.005 . 1 . . . . . 9 SER H . 53291 2 4 . 1 . 1 9 9 SER N N 15 118.003 0.010 . 1 . . . . . 9 SER N . 53291 2 5 . 1 . 1 10 10 THR H H 1 8.168 0.005 . 1 . . . . . 10 THR H . 53291 2 6 . 1 . 1 10 10 THR N N 15 116.374 0.010 . 1 . . . . . 10 THR N . 53291 2 7 . 1 . 1 11 11 GLY H H 1 8.350 0.005 . 1 . . . . . 11 GLY H . 53291 2 8 . 1 . 1 11 11 GLY N N 15 111.923 0.010 . 1 . . . . . 11 GLY N . 53291 2 9 . 1 . 1 12 12 THR H H 1 8.019 0.005 . 1 . . . . . 12 THR H . 53291 2 10 . 1 . 1 12 12 THR N N 15 114.312 0.010 . 1 . . . . . 12 THR N . 53291 2 11 . 1 . 1 13 13 THR H H 1 8.186 0.005 . 1 . . . . . 13 THR H . 53291 2 12 . 1 . 1 13 13 THR N N 15 119.890 0.010 . 1 . . . . . 13 THR N . 53291 2 13 . 1 . 1 15 15 ASN H H 1 8.432 0.005 . 1 . . . . . 15 ASN H . 53291 2 14 . 1 . 1 15 15 ASN N N 15 120.000 0.010 . 1 . . . . . 15 ASN N . 53291 2 15 . 1 . 1 16 16 ILE H H 1 7.958 0.005 . 1 . . . . . 16 ILE H . 53291 2 16 . 1 . 1 16 16 ILE N N 15 121.510 0.010 . 1 . . . . . 16 ILE N . 53291 2 17 . 1 . 1 17 17 ASP H H 1 8.316 0.005 . 1 . . . . . 17 ASP H . 53291 2 18 . 1 . 1 17 17 ASP N N 15 125.281 0.010 . 1 . . . . . 17 ASP N . 53291 2 19 . 1 . 1 18 18 ILE H H 1 8.060 0.005 . 1 . . . . . 18 ILE H . 53291 2 20 . 1 . 1 18 18 ILE N N 15 122.794 0.010 . 1 . . . . . 18 ILE N . 53291 2 21 . 1 . 1 19 19 ARG H H 1 8.263 0.005 . 1 . . . . . 19 ARG H . 53291 2 22 . 1 . 1 19 19 ARG N N 15 123.939 0.010 . 1 . . . . . 19 ARG N . 53291 2 23 . 1 . 1 20 20 SER H H 1 8.059 0.005 . 1 . . . . . 20 SER H . 53291 2 24 . 1 . 1 20 20 SER N N 15 116.702 0.010 . 1 . . . . . 20 SER N . 53291 2 25 . 1 . 1 21 21 ALA H H 1 8.082 0.005 . 1 . . . . . 21 ALA H . 53291 2 26 . 1 . 1 21 21 ALA N N 15 126.134 0.010 . 1 . . . . . 21 ALA N . 53291 2 27 . 1 . 1 22 22 PHE H H 1 7.932 0.005 . 1 . . . . . 22 PHE H . 53291 2 28 . 1 . 1 22 22 PHE N N 15 119.409 0.010 . 1 . . . . . 22 PHE N . 53291 2 29 . 1 . 1 23 23 LYS H H 1 7.996 0.005 . 1 . . . . . 23 LYS H . 53291 2 30 . 1 . 1 23 23 LYS N N 15 123.903 0.010 . 1 . . . . . 23 LYS N . 53291 2 31 . 1 . 1 24 24 ARG H H 1 8.312 0.005 . 1 . . . . . 24 ARG H . 53291 2 32 . 1 . 1 24 24 ARG N N 15 123.699 0.010 . 1 . . . . . 24 ARG N . 53291 2 33 . 1 . 1 25 25 SER H H 1 8.357 0.005 . 1 . . . . . 25 SER H . 53291 2 34 . 1 . 1 25 25 SER N N 15 118.106 0.010 . 1 . . . . . 25 SER N . 53291 2 35 . 1 . 1 26 26 GLY H H 1 8.411 0.005 . 1 . . . . . 26 GLY H . 53291 2 36 . 1 . 1 26 26 GLY N N 15 111.962 0.010 . 1 . . . . . 26 GLY N . 53291 2 37 . 1 . 1 27 27 GLU H H 1 8.212 0.005 . 1 . . . . . 27 GLU H . 53291 2 38 . 1 . 1 27 27 GLU N N 15 121.309 0.010 . 1 . . . . . 27 GLU N . 53291 2 39 . 1 . 1 28 28 GLY H H 1 8.524 0.005 . 1 . . . . . 28 GLY H . 53291 2 40 . 1 . 1 28 28 GLY N N 15 111.273 0.010 . 1 . . . . . 28 GLY N . 53291 2 41 . 1 . 1 29 29 GLN H H 1 8.155 0.005 . 1 . . . . . 29 GLN H . 53291 2 42 . 1 . 1 29 29 GLN N N 15 120.486 0.010 . 1 . . . . . 29 GLN N . 53291 2 43 . 1 . 1 30 30 GLU H H 1 8.568 0.005 . 1 . . . . . 30 GLU H . 53291 2 44 . 1 . 1 30 30 GLU N N 15 122.923 0.010 . 1 . . . . . 30 GLU N . 53291 2 45 . 1 . 1 31 31 ASP H H 1 8.322 0.005 . 1 . . . . . 31 ASP H . 53291 2 46 . 1 . 1 31 31 ASP N N 15 122.218 0.010 . 1 . . . . . 31 ASP N . 53291 2 47 . 1 . 1 32 32 ALA H H 1 8.225 0.005 . 1 . . . . . 32 ALA H . 53291 2 48 . 1 . 1 32 32 ALA N N 15 125.773 0.010 . 1 . . . . . 32 ALA N . 53291 2 49 . 1 . 1 33 33 GLY H H 1 8.334 0.005 . 1 . . . . . 33 GLY H . 53291 2 50 . 1 . 1 33 33 GLY N N 15 108.623 0.010 . 1 . . . . . 33 GLY N . 53291 2 51 . 1 . 1 34 34 GLU H H 1 8.178 0.005 . 1 . . . . . 34 GLU H . 53291 2 52 . 1 . 1 34 34 GLU N N 15 121.218 0.010 . 1 . . . . . 34 GLU N . 53291 2 53 . 1 . 1 35 35 LEU H H 1 8.122 0.005 . 1 . . . . . 35 LEU H . 53291 2 54 . 1 . 1 35 35 LEU N N 15 123.329 0.010 . 1 . . . . . 35 LEU N . 53291 2 55 . 1 . 1 36 36 ASP H H 1 8.125 0.005 . 1 . . . . . 36 ASP H . 53291 2 56 . 1 . 1 36 36 ASP N N 15 121.608 0.010 . 1 . . . . . 36 ASP N . 53291 2 57 . 1 . 1 37 37 PHE H H 1 8.274 0.005 . 1 . . . . . 37 PHE H . 53291 2 58 . 1 . 1 37 37 PHE N N 15 122.756 0.010 . 1 . . . . . 37 PHE N . 53291 2 59 . 1 . 1 38 38 SER H H 1 8.312 0.005 . 1 . . . . . 38 SER H . 53291 2 60 . 1 . 1 38 38 SER N N 15 117.498 0.010 . 1 . . . . . 38 SER N . 53291 2 61 . 1 . 1 39 39 GLY H H 1 8.105 0.005 . 1 . . . . . 39 GLY H . 53291 2 62 . 1 . 1 39 39 GLY N N 15 111.374 0.010 . 1 . . . . . 39 GLY N . 53291 2 63 . 1 . 1 40 40 LEU H H 1 7.851 0.005 . 1 . . . . . 40 LEU H . 53291 2 64 . 1 . 1 40 40 LEU N N 15 122.190 0.010 . 1 . . . . . 40 LEU N . 53291 2 65 . 1 . 1 41 41 LEU H H 1 7.983 0.005 . 1 . . . . . 41 LEU H . 53291 2 66 . 1 . 1 41 41 LEU N N 15 121.783 0.010 . 1 . . . . . 41 LEU N . 53291 2 67 . 1 . 1 42 42 LYS H H 1 8.001 0.005 . 1 . . . . . 42 LYS H . 53291 2 68 . 1 . 1 42 42 LYS N N 15 122.280 0.010 . 1 . . . . . 42 LYS N . 53291 2 69 . 1 . 1 43 43 ARG H H 1 8.139 0.005 . 1 . . . . . 43 ARG H . 53291 2 70 . 1 . 1 43 43 ARG N N 15 122.703 0.010 . 1 . . . . . 43 ARG N . 53291 2 71 . 1 . 1 44 44 ARG H H 1 8.248 0.005 . 1 . . . . . 44 ARG H . 53291 2 72 . 1 . 1 44 44 ARG N N 15 123.142 0.010 . 1 . . . . . 44 ARG N . 53291 2 73 . 1 . 1 45 45 GLU H H 1 8.367 0.005 . 1 . . . . . 45 GLU H . 53291 2 74 . 1 . 1 45 45 GLU N N 15 123.242 0.010 . 1 . . . . . 45 GLU N . 53291 2 75 . 1 . 1 46 46 VAL H H 1 8.100 0.005 . 1 . . . . . 46 VAL H . 53291 2 76 . 1 . 1 46 46 VAL N N 15 122.571 0.010 . 1 . . . . . 46 VAL N . 53291 2 77 . 1 . 1 47 47 LYS H H 1 8.339 0.005 . 1 . . . . . 47 LYS H . 53291 2 78 . 1 . 1 47 47 LYS N N 15 126.159 0.010 . 1 . . . . . 47 LYS N . 53291 2 79 . 1 . 1 48 48 GLN H H 1 8.395 0.005 . 1 . . . . . 48 GLN H . 53291 2 80 . 1 . 1 48 48 GLN N N 15 122.943 0.010 . 1 . . . . . 48 GLN N . 53291 2 81 . 1 . 1 49 49 GLN H H 1 8.384 0.005 . 1 . . . . . 49 GLN H . 53291 2 82 . 1 . 1 49 49 GLN N N 15 122.303 0.010 . 1 . . . . . 49 GLN N . 53291 2 83 . 1 . 1 50 50 GLU H H 1 8.418 0.005 . 1 . . . . . 50 GLU H . 53291 2 84 . 1 . 1 50 50 GLU N N 15 122.832 0.010 . 1 . . . . . 50 GLU N . 53291 2 85 . 1 . 1 51 51 GLU H H 1 8.328 0.005 . 1 . . . . . 51 GLU H . 53291 2 86 . 1 . 1 51 51 GLU N N 15 122.310 0.010 . 1 . . . . . 51 GLU N . 53291 2 87 . 1 . 1 52 52 GLU H H 1 8.343 0.005 . 1 . . . . . 52 GLU H . 53291 2 88 . 1 . 1 52 52 GLU N N 15 124.250 0.010 . 1 . . . . . 52 GLU N . 53291 2 89 . 1 . 1 54 54 GLN H H 1 8.506 0.005 . 1 . . . . . 54 GLN H . 53291 2 90 . 1 . 1 54 54 GLN N N 15 122.043 0.010 . 1 . . . . . 54 GLN N . 53291 2 91 . 1 . 1 55 55 VAL H H 1 8.082 0.005 . 1 . . . . . 55 VAL H . 53291 2 92 . 1 . 1 55 55 VAL N N 15 122.283 0.010 . 1 . . . . . 55 VAL N . 53291 2 93 . 1 . 1 56 56 ASP H H 1 8.358 0.005 . 1 . . . . . 56 ASP H . 53291 2 94 . 1 . 1 56 56 ASP N N 15 125.726 0.010 . 1 . . . . . 56 ASP N . 53291 2 95 . 1 . 1 57 57 VAL H H 1 8.154 0.005 . 1 . . . . . 57 VAL H . 53291 2 96 . 1 . 1 57 57 VAL N N 15 124.901 0.010 . 1 . . . . . 57 VAL N . 53291 2 97 . 1 . 1 58 58 TRP H H 1 7.577 0.005 . 1 . . . . . 58 TRP H . 53291 2 98 . 1 . 1 58 58 TRP N N 15 122.057 0.010 . 1 . . . . . 58 TRP N . 53291 2 99 . 1 . 1 59 59 GLU H H 1 7.508 0.005 . 1 . . . . . 59 GLU H . 53291 2 100 . 1 . 1 59 59 GLU N N 15 119.432 0.010 . 1 . . . . . 59 GLU N . 53291 2 101 . 1 . 1 60 60 LEU H H 1 7.381 0.005 . 1 . . . . . 60 LEU H . 53291 2 102 . 1 . 1 60 60 LEU N N 15 119.159 0.010 . 1 . . . . . 60 LEU N . 53291 2 103 . 1 . 1 61 61 LEU H H 1 8.056 0.005 . 1 . . . . . 61 LEU H . 53291 2 104 . 1 . 1 61 61 LEU N N 15 118.946 0.010 . 1 . . . . . 61 LEU N . 53291 2 105 . 1 . 1 62 62 LYS H H 1 7.939 0.005 . 1 . . . . . 62 LYS H . 53291 2 106 . 1 . 1 62 62 LYS N N 15 119.323 0.010 . 1 . . . . . 62 LYS N . 53291 2 107 . 1 . 1 63 63 ASN H H 1 7.258 0.005 . 1 . . . . . 63 ASN H . 53291 2 108 . 1 . 1 63 63 ASN N N 15 114.628 0.010 . 1 . . . . . 63 ASN N . 53291 2 109 . 1 . 1 64 64 ALA H H 1 7.374 0.005 . 1 . . . . . 64 ALA H . 53291 2 110 . 1 . 1 64 64 ALA N N 15 124.575 0.010 . 1 . . . . . 64 ALA N . 53291 2 111 . 1 . 1 65 65 LYS H H 1 8.582 0.005 . 1 . . . . . 65 LYS H . 53291 2 112 . 1 . 1 65 65 LYS N N 15 122.355 0.010 . 1 . . . . . 65 LYS N . 53291 2 113 . 1 . 1 67 67 SER H H 1 7.614 0.005 . 1 . . . . . 67 SER H . 53291 2 114 . 1 . 1 67 67 SER N N 15 111.425 0.010 . 1 . . . . . 67 SER N . 53291 2 115 . 1 . 1 68 68 GLU H H 1 8.248 0.005 . 1 . . . . . 68 GLU H . 53291 2 116 . 1 . 1 68 68 GLU N N 15 121.295 0.010 . 1 . . . . . 68 GLU N . 53291 2 117 . 1 . 1 69 69 TYR H H 1 7.282 0.005 . 1 . . . . . 69 TYR H . 53291 2 118 . 1 . 1 69 69 TYR N N 15 118.885 0.010 . 1 . . . . . 69 TYR N . 53291 2 119 . 1 . 1 70 70 GLU H H 1 8.678 0.005 . 1 . . . . . 70 GLU H . 53291 2 120 . 1 . 1 70 70 GLU N N 15 117.892 0.010 . 1 . . . . . 70 GLU N . 53291 2 121 . 1 . 1 71 71 LYS H H 1 7.876 0.005 . 1 . . . . . 71 LYS H . 53291 2 122 . 1 . 1 71 71 LYS N N 15 121.731 0.010 . 1 . . . . . 71 LYS N . 53291 2 123 . 1 . 1 72 72 ILE H H 1 7.999 0.005 . 1 . . . . . 72 ILE H . 53291 2 124 . 1 . 1 72 72 ILE N N 15 122.143 0.010 . 1 . . . . . 72 ILE N . 53291 2 125 . 1 . 1 73 73 ALA H H 1 8.484 0.005 . 1 . . . . . 73 ALA H . 53291 2 126 . 1 . 1 73 73 ALA N N 15 121.647 0.010 . 1 . . . . . 73 ALA N . 53291 2 127 . 1 . 1 74 74 PHE H H 1 8.123 0.005 . 1 . . . . . 74 PHE H . 53291 2 128 . 1 . 1 74 74 PHE N N 15 117.797 0.010 . 1 . . . . . 74 PHE N . 53291 2 129 . 1 . 1 75 75 GLN H H 1 8.168 0.005 . 1 . . . . . 75 GLN H . 53291 2 130 . 1 . 1 75 75 GLN N N 15 120.834 0.010 . 1 . . . . . 75 GLN N . 53291 2 131 . 1 . 1 76 76 TYR H H 1 7.716 0.005 . 1 . . . . . 76 TYR H . 53291 2 132 . 1 . 1 76 76 TYR N N 15 114.858 0.010 . 1 . . . . . 76 TYR N . 53291 2 133 . 1 . 1 77 77 GLY H H 1 7.517 0.005 . 1 . . . . . 77 GLY H . 53291 2 134 . 1 . 1 77 77 GLY N N 15 110.235 0.010 . 1 . . . . . 77 GLY N . 53291 2 135 . 1 . 1 78 78 ILE H H 1 8.271 0.005 . 1 . . . . . 78 ILE H . 53291 2 136 . 1 . 1 78 78 ILE N N 15 121.889 0.010 . 1 . . . . . 78 ILE N . 53291 2 137 . 1 . 1 79 79 THR H H 1 8.212 0.005 . 1 . . . . . 79 THR H . 53291 2 138 . 1 . 1 79 79 THR N N 15 119.347 0.010 . 1 . . . . . 79 THR N . 53291 2 139 . 1 . 1 80 80 ASP H H 1 7.946 0.005 . 1 . . . . . 80 ASP H . 53291 2 140 . 1 . 1 80 80 ASP N N 15 123.022 0.010 . 1 . . . . . 80 ASP N . 53291 2 141 . 1 . 1 81 81 LEU H H 1 8.387 0.005 . 1 . . . . . 81 LEU H . 53291 2 142 . 1 . 1 81 81 LEU N N 15 126.503 0.010 . 1 . . . . . 81 LEU N . 53291 2 143 . 1 . 1 82 82 ARG H H 1 8.418 0.005 . 1 . . . . . 82 ARG H . 53291 2 144 . 1 . 1 82 82 ARG N N 15 118.909 0.010 . 1 . . . . . 82 ARG N . 53291 2 145 . 1 . 1 83 83 GLY H H 1 8.263 0.005 . 1 . . . . . 83 GLY H . 53291 2 146 . 1 . 1 83 83 GLY N N 15 109.299 0.010 . 1 . . . . . 83 GLY N . 53291 2 147 . 1 . 1 84 84 MET H H 1 7.889 0.005 . 1 . . . . . 84 MET H . 53291 2 148 . 1 . 1 84 84 MET N N 15 123.788 0.010 . 1 . . . . . 84 MET N . 53291 2 149 . 1 . 1 85 85 LEU H H 1 8.284 0.005 . 1 . . . . . 85 LEU H . 53291 2 150 . 1 . 1 85 85 LEU N N 15 119.622 0.010 . 1 . . . . . 85 LEU N . 53291 2 151 . 1 . 1 86 86 LYS H H 1 7.763 0.005 . 1 . . . . . 86 LYS H . 53291 2 152 . 1 . 1 86 86 LYS N N 15 120.214 0.010 . 1 . . . . . 86 LYS N . 53291 2 153 . 1 . 1 87 87 ARG H H 1 7.637 0.005 . 1 . . . . . 87 ARG H . 53291 2 154 . 1 . 1 87 87 ARG N N 15 120.596 0.010 . 1 . . . . . 87 ARG N . 53291 2 155 . 1 . 1 88 88 LEU H H 1 8.264 0.005 . 1 . . . . . 88 LEU H . 53291 2 156 . 1 . 1 88 88 LEU N N 15 121.253 0.010 . 1 . . . . . 88 LEU N . 53291 2 157 . 1 . 1 89 89 LYS H H 1 7.928 0.005 . 1 . . . . . 89 LYS H . 53291 2 158 . 1 . 1 89 89 LYS N N 15 119.373 0.010 . 1 . . . . . 89 LYS N . 53291 2 159 . 1 . 1 90 90 ARG H H 1 7.595 0.005 . 1 . . . . . 90 ARG H . 53291 2 160 . 1 . 1 90 90 ARG N N 15 119.805 0.010 . 1 . . . . . 90 ARG N . 53291 2 161 . 1 . 1 91 91 MET H H 1 8.021 0.005 . 1 . . . . . 91 MET H . 53291 2 162 . 1 . 1 91 91 MET N N 15 120.033 0.010 . 1 . . . . . 91 MET N . 53291 2 163 . 1 . 1 92 92 ARG H H 1 8.017 0.005 . 1 . . . . . 92 ARG H . 53291 2 164 . 1 . 1 92 92 ARG N N 15 120.628 0.010 . 1 . . . . . 92 ARG N . 53291 2 165 . 1 . 1 93 93 ARG H H 1 7.984 0.005 . 1 . . . . . 93 ARG H . 53291 2 166 . 1 . 1 93 93 ARG N N 15 121.940 0.010 . 1 . . . . . 93 ARG N . 53291 2 167 . 1 . 1 94 94 GLU H H 1 8.246 0.005 . 1 . . . . . 94 GLU H . 53291 2 168 . 1 . 1 94 94 GLU N N 15 121.638 0.010 . 1 . . . . . 94 GLU N . 53291 2 169 . 1 . 1 95 95 GLU H H 1 8.153 0.005 . 1 . . . . . 95 GLU H . 53291 2 170 . 1 . 1 95 95 GLU N N 15 122.767 0.010 . 1 . . . . . 95 GLU N . 53291 2 171 . 1 . 1 96 96 LYS H H 1 8.162 0.005 . 1 . . . . . 96 LYS H . 53291 2 172 . 1 . 1 96 96 LYS N N 15 122.728 0.010 . 1 . . . . . 96 LYS N . 53291 2 173 . 1 . 1 97 97 LYS H H 1 8.200 0.005 . 1 . . . . . 97 LYS H . 53291 2 174 . 1 . 1 97 97 LYS N N 15 123.173 0.010 . 1 . . . . . 97 LYS N . 53291 2 175 . 1 . 1 98 98 SER H H 1 8.194 0.005 . 1 . . . . . 98 SER H . 53291 2 176 . 1 . 1 98 98 SER N N 15 117.469 0.010 . 1 . . . . . 98 SER N . 53291 2 177 . 1 . 1 99 99 ALA H H 1 8.222 0.005 . 1 . . . . . 99 ALA H . 53291 2 178 . 1 . 1 99 99 ALA N N 15 126.892 0.010 . 1 . . . . . 99 ALA N . 53291 2 179 . 1 . 1 100 100 ALA H H 1 8.019 0.005 . 1 . . . . . 100 ALA H . 53291 2 180 . 1 . 1 100 100 ALA N N 15 123.254 0.010 . 1 . . . . . 100 ALA N . 53291 2 181 . 1 . 1 101 101 PHE H H 1 7.885 0.005 . 1 . . . . . 101 PHE H . 53291 2 182 . 1 . 1 101 101 PHE N N 15 119.389 0.010 . 1 . . . . . 101 PHE N . 53291 2 183 . 1 . 1 102 102 ALA H H 1 7.975 0.005 . 1 . . . . . 102 ALA H . 53291 2 184 . 1 . 1 102 102 ALA N N 15 126.832 0.010 . 1 . . . . . 102 ALA N . 53291 2 185 . 1 . 1 103 103 LYS H H 1 7.748 0.005 . 1 . . . . . 103 LYS H . 53291 2 186 . 1 . 1 103 103 LYS N N 15 126.884 0.010 . 1 . . . . . 103 LYS N . 53291 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_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 53291 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name '1:4 myosin S2delta : 15N wild-type M-domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '2D 1H-15N HSQC' . . . 53291 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 $software_1 . . 53291 3 2 $software_2 . . 53291 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 8 8 GLU H H 1 8.375 0.005 . 1 . . . . . 8 GLU H . 53291 3 2 . 1 . 1 8 8 GLU N N 15 123.401 0.010 . 1 . . . . . 8 GLU N . 53291 3 3 . 1 . 1 9 9 SER H H 1 8.417 0.005 . 1 . . . . . 9 SER H . 53291 3 4 . 1 . 1 9 9 SER N N 15 117.999 0.010 . 1 . . . . . 9 SER N . 53291 3 5 . 1 . 1 10 10 THR H H 1 8.172 0.005 . 1 . . . . . 10 THR H . 53291 3 6 . 1 . 1 10 10 THR N N 15 116.382 0.010 . 1 . . . . . 10 THR N . 53291 3 7 . 1 . 1 11 11 GLY H H 1 8.352 0.005 . 1 . . . . . 11 GLY H . 53291 3 8 . 1 . 1 11 11 GLY N N 15 111.924 0.010 . 1 . . . . . 11 GLY N . 53291 3 9 . 1 . 1 12 12 THR H H 1 8.019 0.005 . 1 . . . . . 12 THR H . 53291 3 10 . 1 . 1 12 12 THR N N 15 114.313 0.010 . 1 . . . . . 12 THR N . 53291 3 11 . 1 . 1 13 13 THR H H 1 8.186 0.005 . 1 . . . . . 13 THR H . 53291 3 12 . 1 . 1 13 13 THR N N 15 119.886 0.010 . 1 . . . . . 13 THR N . 53291 3 13 . 1 . 1 15 15 ASN H H 1 8.433 0.005 . 1 . . . . . 15 ASN H . 53291 3 14 . 1 . 1 15 15 ASN N N 15 119.994 0.010 . 1 . . . . . 15 ASN N . 53291 3 15 . 1 . 1 16 16 ILE H H 1 7.959 0.005 . 1 . . . . . 16 ILE H . 53291 3 16 . 1 . 1 16 16 ILE N N 15 121.508 0.010 . 1 . . . . . 16 ILE N . 53291 3 17 . 1 . 1 17 17 ASP H H 1 8.316 0.005 . 1 . . . . . 17 ASP H . 53291 3 18 . 1 . 1 17 17 ASP N N 15 125.278 0.010 . 1 . . . . . 17 ASP N . 53291 3 19 . 1 . 1 18 18 ILE H H 1 8.060 0.005 . 1 . . . . . 18 ILE H . 53291 3 20 . 1 . 1 18 18 ILE N N 15 122.784 0.010 . 1 . . . . . 18 ILE N . 53291 3 21 . 1 . 1 19 19 ARG H H 1 8.263 0.005 . 1 . . . . . 19 ARG H . 53291 3 22 . 1 . 1 19 19 ARG N N 15 123.937 0.010 . 1 . . . . . 19 ARG N . 53291 3 23 . 1 . 1 20 20 SER H H 1 8.059 0.005 . 1 . . . . . 20 SER H . 53291 3 24 . 1 . 1 20 20 SER N N 15 116.706 0.010 . 1 . . . . . 20 SER N . 53291 3 25 . 1 . 1 21 21 ALA H H 1 8.082 0.005 . 1 . . . . . 21 ALA H . 53291 3 26 . 1 . 1 21 21 ALA N N 15 126.134 0.010 . 1 . . . . . 21 ALA N . 53291 3 27 . 1 . 1 22 22 PHE H H 1 7.935 0.005 . 1 . . . . . 22 PHE H . 53291 3 28 . 1 . 1 22 22 PHE N N 15 119.414 0.010 . 1 . . . . . 22 PHE N . 53291 3 29 . 1 . 1 23 23 LYS H H 1 7.996 0.005 . 1 . . . . . 23 LYS H . 53291 3 30 . 1 . 1 23 23 LYS N N 15 123.901 0.010 . 1 . . . . . 23 LYS N . 53291 3 31 . 1 . 1 24 24 ARG H H 1 8.312 0.005 . 1 . . . . . 24 ARG H . 53291 3 32 . 1 . 1 24 24 ARG N N 15 123.696 0.010 . 1 . . . . . 24 ARG N . 53291 3 33 . 1 . 1 25 25 SER H H 1 8.357 0.005 . 1 . . . . . 25 SER H . 53291 3 34 . 1 . 1 25 25 SER N N 15 118.109 0.010 . 1 . . . . . 25 SER N . 53291 3 35 . 1 . 1 26 26 GLY H H 1 8.412 0.005 . 1 . . . . . 26 GLY H . 53291 3 36 . 1 . 1 26 26 GLY N N 15 111.978 0.010 . 1 . . . . . 26 GLY N . 53291 3 37 . 1 . 1 27 27 GLU H H 1 8.212 0.005 . 1 . . . . . 27 GLU H . 53291 3 38 . 1 . 1 27 27 GLU N N 15 121.317 0.010 . 1 . . . . . 27 GLU N . 53291 3 39 . 1 . 1 28 28 GLY H H 1 8.524 0.005 . 1 . . . . . 28 GLY H . 53291 3 40 . 1 . 1 28 28 GLY N N 15 111.278 0.010 . 1 . . . . . 28 GLY N . 53291 3 41 . 1 . 1 29 29 GLN H H 1 8.155 0.005 . 1 . . . . . 29 GLN H . 53291 3 42 . 1 . 1 29 29 GLN N N 15 120.486 0.010 . 1 . . . . . 29 GLN N . 53291 3 43 . 1 . 1 30 30 GLU H H 1 8.568 0.005 . 1 . . . . . 30 GLU H . 53291 3 44 . 1 . 1 30 30 GLU N N 15 122.923 0.010 . 1 . . . . . 30 GLU N . 53291 3 45 . 1 . 1 31 31 ASP H H 1 8.321 0.005 . 1 . . . . . 31 ASP H . 53291 3 46 . 1 . 1 31 31 ASP N N 15 122.212 0.010 . 1 . . . . . 31 ASP N . 53291 3 47 . 1 . 1 32 32 ALA H H 1 8.225 0.005 . 1 . . . . . 32 ALA H . 53291 3 48 . 1 . 1 32 32 ALA N N 15 125.771 0.010 . 1 . . . . . 32 ALA N . 53291 3 49 . 1 . 1 33 33 GLY H H 1 8.334 0.005 . 1 . . . . . 33 GLY H . 53291 3 50 . 1 . 1 33 33 GLY N N 15 108.622 0.010 . 1 . . . . . 33 GLY N . 53291 3 51 . 1 . 1 34 34 GLU H H 1 8.178 0.005 . 1 . . . . . 34 GLU H . 53291 3 52 . 1 . 1 34 34 GLU N N 15 121.218 0.010 . 1 . . . . . 34 GLU N . 53291 3 53 . 1 . 1 35 35 LEU H H 1 8.123 0.005 . 1 . . . . . 35 LEU H . 53291 3 54 . 1 . 1 35 35 LEU N N 15 123.334 0.010 . 1 . . . . . 35 LEU N . 53291 3 55 . 1 . 1 36 36 ASP H H 1 8.127 0.005 . 1 . . . . . 36 ASP H . 53291 3 56 . 1 . 1 36 36 ASP N N 15 121.608 0.010 . 1 . . . . . 36 ASP N . 53291 3 57 . 1 . 1 37 37 PHE H H 1 8.274 0.005 . 1 . . . . . 37 PHE H . 53291 3 58 . 1 . 1 37 37 PHE N N 15 122.749 0.010 . 1 . . . . . 37 PHE N . 53291 3 59 . 1 . 1 38 38 SER H H 1 8.312 0.005 . 1 . . . . . 38 SER H . 53291 3 60 . 1 . 1 38 38 SER N N 15 117.494 0.010 . 1 . . . . . 38 SER N . 53291 3 61 . 1 . 1 39 39 GLY H H 1 8.104 0.005 . 1 . . . . . 39 GLY H . 53291 3 62 . 1 . 1 39 39 GLY N N 15 111.380 0.010 . 1 . . . . . 39 GLY N . 53291 3 63 . 1 . 1 40 40 LEU H H 1 7.852 0.005 . 1 . . . . . 40 LEU H . 53291 3 64 . 1 . 1 40 40 LEU N N 15 122.196 0.010 . 1 . . . . . 40 LEU N . 53291 3 65 . 1 . 1 41 41 LEU H H 1 7.985 0.005 . 1 . . . . . 41 LEU H . 53291 3 66 . 1 . 1 41 41 LEU N N 15 121.775 0.010 . 1 . . . . . 41 LEU N . 53291 3 67 . 1 . 1 42 42 LYS H H 1 8.002 0.005 . 1 . . . . . 42 LYS H . 53291 3 68 . 1 . 1 42 42 LYS N N 15 122.323 0.010 . 1 . . . . . 42 LYS N . 53291 3 69 . 1 . 1 43 43 ARG H H 1 8.136 0.005 . 1 . . . . . 43 ARG H . 53291 3 70 . 1 . 1 43 43 ARG N N 15 122.678 0.010 . 1 . . . . . 43 ARG N . 53291 3 71 . 1 . 1 44 44 ARG H H 1 8.248 0.005 . 1 . . . . . 44 ARG H . 53291 3 72 . 1 . 1 44 44 ARG N N 15 123.131 0.010 . 1 . . . . . 44 ARG N . 53291 3 73 . 1 . 1 45 45 GLU H H 1 8.366 0.005 . 1 . . . . . 45 GLU H . 53291 3 74 . 1 . 1 45 45 GLU N N 15 123.249 0.010 . 1 . . . . . 45 GLU N . 53291 3 75 . 1 . 1 46 46 VAL H H 1 8.101 0.005 . 1 . . . . . 46 VAL H . 53291 3 76 . 1 . 1 46 46 VAL N N 15 122.579 0.010 . 1 . . . . . 46 VAL N . 53291 3 77 . 1 . 1 47 47 LYS H H 1 8.339 0.005 . 1 . . . . . 47 LYS H . 53291 3 78 . 1 . 1 47 47 LYS N N 15 126.167 0.010 . 1 . . . . . 47 LYS N . 53291 3 79 . 1 . 1 48 48 GLN H H 1 8.395 0.005 . 1 . . . . . 48 GLN H . 53291 3 80 . 1 . 1 48 48 GLN N N 15 122.957 0.010 . 1 . . . . . 48 GLN N . 53291 3 81 . 1 . 1 49 49 GLN H H 1 8.384 0.005 . 1 . . . . . 49 GLN H . 53291 3 82 . 1 . 1 49 49 GLN N N 15 122.319 0.010 . 1 . . . . . 49 GLN N . 53291 3 83 . 1 . 1 50 50 GLU H H 1 8.419 0.005 . 1 . . . . . 50 GLU H . 53291 3 84 . 1 . 1 50 50 GLU N N 15 122.845 0.010 . 1 . . . . . 50 GLU N . 53291 3 85 . 1 . 1 51 51 GLU H H 1 8.328 0.005 . 1 . . . . . 51 GLU H . 53291 3 86 . 1 . 1 51 51 GLU N N 15 122.325 0.010 . 1 . . . . . 51 GLU N . 53291 3 87 . 1 . 1 52 52 GLU H H 1 8.345 0.005 . 1 . . . . . 52 GLU H . 53291 3 88 . 1 . 1 52 52 GLU N N 15 124.258 0.010 . 1 . . . . . 52 GLU N . 53291 3 89 . 1 . 1 54 54 GLN H H 1 8.506 0.005 . 1 . . . . . 54 GLN H . 53291 3 90 . 1 . 1 54 54 GLN N N 15 122.047 0.010 . 1 . . . . . 54 GLN N . 53291 3 91 . 1 . 1 55 55 VAL H H 1 8.084 0.005 . 1 . . . . . 55 VAL H . 53291 3 92 . 1 . 1 55 55 VAL N N 15 122.316 0.010 . 1 . . . . . 55 VAL N . 53291 3 93 . 1 . 1 56 56 ASP H H 1 8.357 0.005 . 1 . . . . . 56 ASP H . 53291 3 94 . 1 . 1 56 56 ASP N N 15 125.751 0.010 . 1 . . . . . 56 ASP N . 53291 3 95 . 1 . 1 57 57 VAL H H 1 8.155 0.005 . 1 . . . . . 57 VAL H . 53291 3 96 . 1 . 1 57 57 VAL N N 15 124.914 0.010 . 1 . . . . . 57 VAL N . 53291 3 97 . 1 . 1 58 58 TRP H H 1 7.574 0.005 . 1 . . . . . 58 TRP H . 53291 3 98 . 1 . 1 58 58 TRP N N 15 122.083 0.010 . 1 . . . . . 58 TRP N . 53291 3 99 . 1 . 1 59 59 GLU H H 1 7.505 0.005 . 1 . . . . . 59 GLU H . 53291 3 100 . 1 . 1 59 59 GLU N N 15 119.444 0.010 . 1 . . . . . 59 GLU N . 53291 3 101 . 1 . 1 60 60 LEU H H 1 7.380 0.005 . 1 . . . . . 60 LEU H . 53291 3 102 . 1 . 1 60 60 LEU N N 15 119.157 0.010 . 1 . . . . . 60 LEU N . 53291 3 103 . 1 . 1 61 61 LEU H H 1 8.062 0.005 . 1 . . . . . 61 LEU H . 53291 3 104 . 1 . 1 61 61 LEU N N 15 118.967 0.010 . 1 . . . . . 61 LEU N . 53291 3 105 . 1 . 1 62 62 LYS H H 1 7.946 0.005 . 1 . . . . . 62 LYS H . 53291 3 106 . 1 . 1 62 62 LYS N N 15 119.332 0.010 . 1 . . . . . 62 LYS N . 53291 3 107 . 1 . 1 63 63 ASN H H 1 7.253 0.005 . 1 . . . . . 63 ASN H . 53291 3 108 . 1 . 1 63 63 ASN N N 15 114.605 0.010 . 1 . . . . . 63 ASN N . 53291 3 109 . 1 . 1 64 64 ALA H H 1 7.373 0.005 . 1 . . . . . 64 ALA H . 53291 3 110 . 1 . 1 64 64 ALA N N 15 124.584 0.010 . 1 . . . . . 64 ALA N . 53291 3 111 . 1 . 1 65 65 LYS H H 1 8.579 0.005 . 1 . . . . . 65 LYS H . 53291 3 112 . 1 . 1 65 65 LYS N N 15 122.339 0.010 . 1 . . . . . 65 LYS N . 53291 3 113 . 1 . 1 67 67 SER H H 1 7.614 0.005 . 1 . . . . . 67 SER H . 53291 3 114 . 1 . 1 67 67 SER N N 15 111.426 0.010 . 1 . . . . . 67 SER N . 53291 3 115 . 1 . 1 68 68 GLU H H 1 8.249 0.005 . 1 . . . . . 68 GLU H . 53291 3 116 . 1 . 1 68 68 GLU N N 15 121.297 0.010 . 1 . . . . . 68 GLU N . 53291 3 117 . 1 . 1 69 69 TYR H H 1 7.281 0.005 . 1 . . . . . 69 TYR H . 53291 3 118 . 1 . 1 69 69 TYR N N 15 118.881 0.010 . 1 . . . . . 69 TYR N . 53291 3 119 . 1 . 1 70 70 GLU H H 1 8.682 0.005 . 1 . . . . . 70 GLU H . 53291 3 120 . 1 . 1 70 70 GLU N N 15 117.894 0.010 . 1 . . . . . 70 GLU N . 53291 3 121 . 1 . 1 71 71 LYS H H 1 7.878 0.005 . 1 . . . . . 71 LYS H . 53291 3 122 . 1 . 1 71 71 LYS N N 15 121.723 0.010 . 1 . . . . . 71 LYS N . 53291 3 123 . 1 . 1 72 72 ILE H H 1 8.001 0.005 . 1 . . . . . 72 ILE H . 53291 3 124 . 1 . 1 72 72 ILE N N 15 122.211 0.010 . 1 . . . . . 72 ILE N . 53291 3 125 . 1 . 1 73 73 ALA H H 1 8.485 0.005 . 1 . . . . . 73 ALA H . 53291 3 126 . 1 . 1 73 73 ALA N N 15 121.647 0.010 . 1 . . . . . 73 ALA N . 53291 3 127 . 1 . 1 74 74 PHE H H 1 8.124 0.005 . 1 . . . . . 74 PHE H . 53291 3 128 . 1 . 1 74 74 PHE N N 15 117.774 0.010 . 1 . . . . . 74 PHE N . 53291 3 129 . 1 . 1 75 75 GLN H H 1 8.168 0.005 . 1 . . . . . 75 GLN H . 53291 3 130 . 1 . 1 75 75 GLN N N 15 120.833 0.010 . 1 . . . . . 75 GLN N . 53291 3 131 . 1 . 1 76 76 TYR H H 1 7.718 0.005 . 1 . . . . . 76 TYR H . 53291 3 132 . 1 . 1 76 76 TYR N N 15 114.849 0.010 . 1 . . . . . 76 TYR N . 53291 3 133 . 1 . 1 77 77 GLY H H 1 7.516 0.005 . 1 . . . . . 77 GLY H . 53291 3 134 . 1 . 1 77 77 GLY N N 15 110.262 0.010 . 1 . . . . . 77 GLY N . 53291 3 135 . 1 . 1 78 78 ILE H H 1 8.275 0.005 . 1 . . . . . 78 ILE H . 53291 3 136 . 1 . 1 78 78 ILE N N 15 121.903 0.010 . 1 . . . . . 78 ILE N . 53291 3 137 . 1 . 1 79 79 THR H H 1 8.215 0.005 . 1 . . . . . 79 THR H . 53291 3 138 . 1 . 1 79 79 THR N N 15 119.337 0.010 . 1 . . . . . 79 THR N . 53291 3 139 . 1 . 1 80 80 ASP H H 1 7.945 0.005 . 1 . . . . . 80 ASP H . 53291 3 140 . 1 . 1 80 80 ASP N N 15 123.055 0.010 . 1 . . . . . 80 ASP N . 53291 3 141 . 1 . 1 81 81 LEU H H 1 8.383 0.005 . 1 . . . . . 81 LEU H . 53291 3 142 . 1 . 1 81 81 LEU N N 15 126.511 0.010 . 1 . . . . . 81 LEU N . 53291 3 143 . 1 . 1 82 82 ARG H H 1 8.416 0.005 . 1 . . . . . 82 ARG H . 53291 3 144 . 1 . 1 82 82 ARG N N 15 118.955 0.010 . 1 . . . . . 82 ARG N . 53291 3 145 . 1 . 1 83 83 GLY H H 1 8.266 0.005 . 1 . . . . . 83 GLY H . 53291 3 146 . 1 . 1 83 83 GLY N N 15 109.287 0.010 . 1 . . . . . 83 GLY N . 53291 3 147 . 1 . 1 84 84 MET H H 1 7.888 0.005 . 1 . . . . . 84 MET H . 53291 3 148 . 1 . 1 84 84 MET N N 15 123.795 0.010 . 1 . . . . . 84 MET N . 53291 3 149 . 1 . 1 85 85 LEU H H 1 8.287 0.005 . 1 . . . . . 85 LEU H . 53291 3 150 . 1 . 1 85 85 LEU N N 15 119.646 0.010 . 1 . . . . . 85 LEU N . 53291 3 151 . 1 . 1 86 86 LYS H H 1 7.774 0.005 . 1 . . . . . 86 LYS H . 53291 3 152 . 1 . 1 86 86 LYS N N 15 120.246 0.010 . 1 . . . . . 86 LYS N . 53291 3 153 . 1 . 1 87 87 ARG H H 1 7.641 0.005 . 1 . . . . . 87 ARG H . 53291 3 154 . 1 . 1 87 87 ARG N N 15 120.628 0.010 . 1 . . . . . 87 ARG N . 53291 3 155 . 1 . 1 88 88 LEU H H 1 8.269 0.005 . 1 . . . . . 88 LEU H . 53291 3 156 . 1 . 1 88 88 LEU N N 15 121.282 0.010 . 1 . . . . . 88 LEU N . 53291 3 157 . 1 . 1 89 89 LYS H H 1 7.931 0.005 . 1 . . . . . 89 LYS H . 53291 3 158 . 1 . 1 89 89 LYS N N 15 119.371 0.010 . 1 . . . . . 89 LYS N . 53291 3 159 . 1 . 1 90 90 ARG H H 1 7.597 0.005 . 1 . . . . . 90 ARG H . 53291 3 160 . 1 . 1 90 90 ARG N N 15 119.845 0.010 . 1 . . . . . 90 ARG N . 53291 3 161 . 1 . 1 91 91 MET H H 1 8.032 0.005 . 1 . . . . . 91 MET H . 53291 3 162 . 1 . 1 91 91 MET N N 15 120.025 0.010 . 1 . . . . . 91 MET N . 53291 3 163 . 1 . 1 92 92 ARG H H 1 8.020 0.005 . 1 . . . . . 92 ARG H . 53291 3 164 . 1 . 1 92 92 ARG N N 15 120.568 0.010 . 1 . . . . . 92 ARG N . 53291 3 165 . 1 . 1 93 93 ARG H H 1 7.971 0.005 . 1 . . . . . 93 ARG H . 53291 3 166 . 1 . 1 93 93 ARG N N 15 121.863 0.010 . 1 . . . . . 93 ARG N . 53291 3 167 . 1 . 1 94 94 GLU H H 1 8.234 0.005 . 1 . . . . . 94 GLU H . 53291 3 168 . 1 . 1 94 94 GLU N N 15 121.511 0.010 . 1 . . . . . 94 GLU N . 53291 3 169 . 1 . 1 95 95 GLU H H 1 8.149 0.005 . 1 . . . . . 95 GLU H . 53291 3 170 . 1 . 1 95 95 GLU N N 15 122.653 0.010 . 1 . . . . . 95 GLU N . 53291 3 171 . 1 . 1 96 96 LYS H H 1 8.155 0.005 . 1 . . . . . 96 LYS H . 53291 3 172 . 1 . 1 96 96 LYS N N 15 122.642 0.010 . 1 . . . . . 96 LYS N . 53291 3 173 . 1 . 1 97 97 LYS H H 1 8.184 0.005 . 1 . . . . . 97 LYS H . 53291 3 174 . 1 . 1 97 97 LYS N N 15 123.072 0.010 . 1 . . . . . 97 LYS N . 53291 3 175 . 1 . 1 98 98 SER H H 1 8.184 0.005 . 1 . . . . . 98 SER H . 53291 3 176 . 1 . 1 98 98 SER N N 15 117.403 0.010 . 1 . . . . . 98 SER N . 53291 3 177 . 1 . 1 99 99 ALA H H 1 8.213 0.005 . 1 . . . . . 99 ALA H . 53291 3 178 . 1 . 1 99 99 ALA N N 15 126.860 0.010 . 1 . . . . . 99 ALA N . 53291 3 179 . 1 . 1 100 100 ALA H H 1 8.012 0.005 . 1 . . . . . 100 ALA H . 53291 3 180 . 1 . 1 100 100 ALA N N 15 123.218 0.010 . 1 . . . . . 100 ALA N . 53291 3 181 . 1 . 1 101 101 PHE H H 1 7.880 0.005 . 1 . . . . . 101 PHE H . 53291 3 182 . 1 . 1 101 101 PHE N N 15 119.361 0.010 . 1 . . . . . 101 PHE N . 53291 3 183 . 1 . 1 102 102 ALA H H 1 7.972 0.005 . 1 . . . . . 102 ALA H . 53291 3 184 . 1 . 1 102 102 ALA N N 15 126.815 0.010 . 1 . . . . . 102 ALA N . 53291 3 185 . 1 . 1 103 103 LYS H H 1 7.747 0.005 . 1 . . . . . 103 LYS H . 53291 3 186 . 1 . 1 103 103 LYS N N 15 126.879 0.010 . 1 . . . . . 103 LYS N . 53291 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_assigned_chemical_shifts_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 53291 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name '1:2 myosin S2delta : 15N wild-type M-domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 4 '2D 1H-15N HSQC' . . . 53291 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 $software_1 . . 53291 4 2 $software_2 . . 53291 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 8 8 GLU H H 1 8.378 0.005 . 1 . . . . . 8 GLU H . 53291 4 2 . 1 . 1 8 8 GLU N N 15 123.405 0.010 . 1 . . . . . 8 GLU N . 53291 4 3 . 1 . 1 9 9 SER H H 1 8.418 0.005 . 1 . . . . . 9 SER H . 53291 4 4 . 1 . 1 9 9 SER N N 15 117.983 0.010 . 1 . . . . . 9 SER N . 53291 4 5 . 1 . 1 10 10 THR H H 1 8.172 0.005 . 1 . . . . . 10 THR H . 53291 4 6 . 1 . 1 10 10 THR N N 15 116.392 0.010 . 1 . . . . . 10 THR N . 53291 4 7 . 1 . 1 11 11 GLY H H 1 8.351 0.005 . 1 . . . . . 11 GLY H . 53291 4 8 . 1 . 1 11 11 GLY N N 15 111.919 0.010 . 1 . . . . . 11 GLY N . 53291 4 9 . 1 . 1 12 12 THR H H 1 8.019 0.005 . 1 . . . . . 12 THR H . 53291 4 10 . 1 . 1 12 12 THR N N 15 114.312 0.010 . 1 . . . . . 12 THR N . 53291 4 11 . 1 . 1 13 13 THR H H 1 8.186 0.005 . 1 . . . . . 13 THR H . 53291 4 12 . 1 . 1 13 13 THR N N 15 119.887 0.010 . 1 . . . . . 13 THR N . 53291 4 13 . 1 . 1 15 15 ASN H H 1 8.433 0.005 . 1 . . . . . 15 ASN H . 53291 4 14 . 1 . 1 15 15 ASN N N 15 119.999 0.010 . 1 . . . . . 15 ASN N . 53291 4 15 . 1 . 1 16 16 ILE H H 1 7.959 0.005 . 1 . . . . . 16 ILE H . 53291 4 16 . 1 . 1 16 16 ILE N N 15 121.508 0.010 . 1 . . . . . 16 ILE N . 53291 4 17 . 1 . 1 17 17 ASP H H 1 8.316 0.005 . 1 . . . . . 17 ASP H . 53291 4 18 . 1 . 1 17 17 ASP N N 15 125.277 0.010 . 1 . . . . . 17 ASP N . 53291 4 19 . 1 . 1 18 18 ILE H H 1 8.060 0.005 . 1 . . . . . 18 ILE H . 53291 4 20 . 1 . 1 18 18 ILE N N 15 122.774 0.010 . 1 . . . . . 18 ILE N . 53291 4 21 . 1 . 1 19 19 ARG H H 1 8.263 0.005 . 1 . . . . . 19 ARG H . 53291 4 22 . 1 . 1 19 19 ARG N N 15 123.935 0.010 . 1 . . . . . 19 ARG N . 53291 4 23 . 1 . 1 20 20 SER H H 1 8.061 0.005 . 1 . . . . . 20 SER H . 53291 4 24 . 1 . 1 20 20 SER N N 15 116.713 0.010 . 1 . . . . . 20 SER N . 53291 4 25 . 1 . 1 21 21 ALA H H 1 8.084 0.005 . 1 . . . . . 21 ALA H . 53291 4 26 . 1 . 1 21 21 ALA N N 15 126.133 0.010 . 1 . . . . . 21 ALA N . 53291 4 27 . 1 . 1 22 22 PHE H H 1 7.936 0.005 . 1 . . . . . 22 PHE H . 53291 4 28 . 1 . 1 22 22 PHE N N 15 119.388 0.010 . 1 . . . . . 22 PHE N . 53291 4 29 . 1 . 1 23 23 LYS H H 1 7.996 0.005 . 1 . . . . . 23 LYS H . 53291 4 30 . 1 . 1 23 23 LYS N N 15 123.898 0.010 . 1 . . . . . 23 LYS N . 53291 4 31 . 1 . 1 24 24 ARG H H 1 8.313 0.005 . 1 . . . . . 24 ARG H . 53291 4 32 . 1 . 1 24 24 ARG N N 15 123.690 0.010 . 1 . . . . . 24 ARG N . 53291 4 33 . 1 . 1 25 25 SER H H 1 8.359 0.005 . 1 . . . . . 25 SER H . 53291 4 34 . 1 . 1 25 25 SER N N 15 118.095 0.010 . 1 . . . . . 25 SER N . 53291 4 35 . 1 . 1 26 26 GLY H H 1 8.413 0.005 . 1 . . . . . 26 GLY H . 53291 4 36 . 1 . 1 26 26 GLY N N 15 111.965 0.010 . 1 . . . . . 26 GLY N . 53291 4 37 . 1 . 1 27 27 GLU H H 1 8.212 0.005 . 1 . . . . . 27 GLU H . 53291 4 38 . 1 . 1 27 27 GLU N N 15 121.319 0.010 . 1 . . . . . 27 GLU N . 53291 4 39 . 1 . 1 28 28 GLY H H 1 8.524 0.005 . 1 . . . . . 28 GLY H . 53291 4 40 . 1 . 1 28 28 GLY N N 15 111.278 0.010 . 1 . . . . . 28 GLY N . 53291 4 41 . 1 . 1 29 29 GLN H H 1 8.155 0.005 . 1 . . . . . 29 GLN H . 53291 4 42 . 1 . 1 29 29 GLN N N 15 120.487 0.010 . 1 . . . . . 29 GLN N . 53291 4 43 . 1 . 1 30 30 GLU H H 1 8.568 0.005 . 1 . . . . . 30 GLU H . 53291 4 44 . 1 . 1 30 30 GLU N N 15 122.924 0.010 . 1 . . . . . 30 GLU N . 53291 4 45 . 1 . 1 31 31 ASP H H 1 8.322 0.005 . 1 . . . . . 31 ASP H . 53291 4 46 . 1 . 1 31 31 ASP N N 15 122.204 0.010 . 1 . . . . . 31 ASP N . 53291 4 47 . 1 . 1 32 32 ALA H H 1 8.226 0.005 . 1 . . . . . 32 ALA H . 53291 4 48 . 1 . 1 32 32 ALA N N 15 125.776 0.010 . 1 . . . . . 32 ALA N . 53291 4 49 . 1 . 1 33 33 GLY H H 1 8.334 0.005 . 1 . . . . . 33 GLY H . 53291 4 50 . 1 . 1 33 33 GLY N N 15 108.626 0.010 . 1 . . . . . 33 GLY N . 53291 4 51 . 1 . 1 34 34 GLU H H 1 8.177 0.005 . 1 . . . . . 34 GLU H . 53291 4 52 . 1 . 1 34 34 GLU N N 15 121.219 0.010 . 1 . . . . . 34 GLU N . 53291 4 53 . 1 . 1 35 35 LEU H H 1 8.124 0.005 . 1 . . . . . 35 LEU H . 53291 4 54 . 1 . 1 35 35 LEU N N 15 123.339 0.010 . 1 . . . . . 35 LEU N . 53291 4 55 . 1 . 1 36 36 ASP H H 1 8.128 0.005 . 1 . . . . . 36 ASP H . 53291 4 56 . 1 . 1 36 36 ASP N N 15 121.617 0.010 . 1 . . . . . 36 ASP N . 53291 4 57 . 1 . 1 37 37 PHE H H 1 8.275 0.005 . 1 . . . . . 37 PHE H . 53291 4 58 . 1 . 1 37 37 PHE N N 15 122.748 0.010 . 1 . . . . . 37 PHE N . 53291 4 59 . 1 . 1 38 38 SER H H 1 8.312 0.005 . 1 . . . . . 38 SER H . 53291 4 60 . 1 . 1 38 38 SER N N 15 117.490 0.010 . 1 . . . . . 38 SER N . 53291 4 61 . 1 . 1 39 39 GLY H H 1 8.102 0.005 . 1 . . . . . 39 GLY H . 53291 4 62 . 1 . 1 39 39 GLY N N 15 111.380 0.010 . 1 . . . . . 39 GLY N . 53291 4 63 . 1 . 1 40 40 LEU H H 1 7.855 0.005 . 1 . . . . . 40 LEU H . 53291 4 64 . 1 . 1 40 40 LEU N N 15 122.207 0.010 . 1 . . . . . 40 LEU N . 53291 4 65 . 1 . 1 41 41 LEU H H 1 7.988 0.005 . 1 . . . . . 41 LEU H . 53291 4 66 . 1 . 1 41 41 LEU N N 15 121.769 0.010 . 1 . . . . . 41 LEU N . 53291 4 67 . 1 . 1 42 42 LYS H H 1 8.001 0.005 . 1 . . . . . 42 LYS H . 53291 4 68 . 1 . 1 42 42 LYS N N 15 122.330 0.010 . 1 . . . . . 42 LYS N . 53291 4 69 . 1 . 1 43 43 ARG H H 1 8.136 0.005 . 1 . . . . . 43 ARG H . 53291 4 70 . 1 . 1 43 43 ARG N N 15 122.633 0.010 . 1 . . . . . 43 ARG N . 53291 4 71 . 1 . 1 44 44 ARG H H 1 8.248 0.005 . 1 . . . . . 44 ARG H . 53291 4 72 . 1 . 1 44 44 ARG N N 15 123.114 0.010 . 1 . . . . . 44 ARG N . 53291 4 73 . 1 . 1 45 45 GLU H H 1 8.364 0.005 . 1 . . . . . 45 GLU H . 53291 4 74 . 1 . 1 45 45 GLU N N 15 123.251 0.010 . 1 . . . . . 45 GLU N . 53291 4 75 . 1 . 1 46 46 VAL H H 1 8.104 0.005 . 1 . . . . . 46 VAL H . 53291 4 76 . 1 . 1 46 46 VAL N N 15 122.587 0.010 . 1 . . . . . 46 VAL N . 53291 4 77 . 1 . 1 47 47 LYS H H 1 8.339 0.005 . 1 . . . . . 47 LYS H . 53291 4 78 . 1 . 1 47 47 LYS N N 15 126.174 0.010 . 1 . . . . . 47 LYS N . 53291 4 79 . 1 . 1 48 48 GLN H H 1 8.397 0.005 . 1 . . . . . 48 GLN H . 53291 4 80 . 1 . 1 48 48 GLN N N 15 122.970 0.010 . 1 . . . . . 48 GLN N . 53291 4 81 . 1 . 1 49 49 GLN H H 1 8.385 0.005 . 1 . . . . . 49 GLN H . 53291 4 82 . 1 . 1 49 49 GLN N N 15 122.333 0.010 . 1 . . . . . 49 GLN N . 53291 4 83 . 1 . 1 50 50 GLU H H 1 8.420 0.005 . 1 . . . . . 50 GLU H . 53291 4 84 . 1 . 1 50 50 GLU N N 15 122.872 0.010 . 1 . . . . . 50 GLU N . 53291 4 85 . 1 . 1 51 51 GLU H H 1 8.328 0.005 . 1 . . . . . 51 GLU H . 53291 4 86 . 1 . 1 51 51 GLU N N 15 122.337 0.010 . 1 . . . . . 51 GLU N . 53291 4 87 . 1 . 1 52 52 GLU H H 1 8.347 0.005 . 1 . . . . . 52 GLU H . 53291 4 88 . 1 . 1 52 52 GLU N N 15 124.275 0.010 . 1 . . . . . 52 GLU N . 53291 4 89 . 1 . 1 54 54 GLN H H 1 8.506 0.005 . 1 . . . . . 54 GLN H . 53291 4 90 . 1 . 1 54 54 GLN N N 15 122.050 0.010 . 1 . . . . . 54 GLN N . 53291 4 91 . 1 . 1 55 55 VAL H H 1 8.086 0.005 . 1 . . . . . 55 VAL H . 53291 4 92 . 1 . 1 55 55 VAL N N 15 122.346 0.010 . 1 . . . . . 55 VAL N . 53291 4 93 . 1 . 1 56 56 ASP H H 1 8.356 0.005 . 1 . . . . . 56 ASP H . 53291 4 94 . 1 . 1 56 56 ASP N N 15 125.765 0.010 . 1 . . . . . 56 ASP N . 53291 4 95 . 1 . 1 57 57 VAL H H 1 8.158 0.005 . 1 . . . . . 57 VAL H . 53291 4 96 . 1 . 1 57 57 VAL N N 15 124.938 0.010 . 1 . . . . . 57 VAL N . 53291 4 97 . 1 . 1 58 58 TRP H H 1 7.569 0.005 . 1 . . . . . 58 TRP H . 53291 4 98 . 1 . 1 58 58 TRP N N 15 122.079 0.010 . 1 . . . . . 58 TRP N . 53291 4 99 . 1 . 1 59 59 GLU H H 1 7.502 0.005 . 1 . . . . . 59 GLU H . 53291 4 100 . 1 . 1 59 59 GLU N N 15 119.448 0.010 . 1 . . . . . 59 GLU N . 53291 4 101 . 1 . 1 60 60 LEU H H 1 7.381 0.005 . 1 . . . . . 60 LEU H . 53291 4 102 . 1 . 1 60 60 LEU N N 15 119.159 0.010 . 1 . . . . . 60 LEU N . 53291 4 103 . 1 . 1 61 61 LEU H H 1 8.068 0.005 . 1 . . . . . 61 LEU H . 53291 4 104 . 1 . 1 61 61 LEU N N 15 118.993 0.010 . 1 . . . . . 61 LEU N . 53291 4 105 . 1 . 1 62 62 LYS H H 1 7.950 0.005 . 1 . . . . . 62 LYS H . 53291 4 106 . 1 . 1 62 62 LYS N N 15 119.334 0.010 . 1 . . . . . 62 LYS N . 53291 4 107 . 1 . 1 63 63 ASN H H 1 7.248 0.005 . 1 . . . . . 63 ASN H . 53291 4 108 . 1 . 1 63 63 ASN N N 15 114.579 0.010 . 1 . . . . . 63 ASN N . 53291 4 109 . 1 . 1 64 64 ALA H H 1 7.372 0.005 . 1 . . . . . 64 ALA H . 53291 4 110 . 1 . 1 64 64 ALA N N 15 124.581 0.010 . 1 . . . . . 64 ALA N . 53291 4 111 . 1 . 1 65 65 LYS H H 1 8.574 0.005 . 1 . . . . . 65 LYS H . 53291 4 112 . 1 . 1 65 65 LYS N N 15 122.312 0.010 . 1 . . . . . 65 LYS N . 53291 4 113 . 1 . 1 67 67 SER H H 1 7.620 0.005 . 1 . . . . . 67 SER H . 53291 4 114 . 1 . 1 67 67 SER N N 15 111.405 0.010 . 1 . . . . . 67 SER N . 53291 4 115 . 1 . 1 68 68 GLU H H 1 8.249 0.005 . 1 . . . . . 68 GLU H . 53291 4 116 . 1 . 1 68 68 GLU N N 15 121.305 0.010 . 1 . . . . . 68 GLU N . 53291 4 117 . 1 . 1 69 69 TYR H H 1 7.282 0.005 . 1 . . . . . 69 TYR H . 53291 4 118 . 1 . 1 69 69 TYR N N 15 118.867 0.010 . 1 . . . . . 69 TYR N . 53291 4 119 . 1 . 1 70 70 GLU H H 1 8.685 0.005 . 1 . . . . . 70 GLU H . 53291 4 120 . 1 . 1 70 70 GLU N N 15 117.903 0.010 . 1 . . . . . 70 GLU N . 53291 4 121 . 1 . 1 71 71 LYS H H 1 7.878 0.005 . 1 . . . . . 71 LYS H . 53291 4 122 . 1 . 1 71 71 LYS N N 15 121.715 0.010 . 1 . . . . . 71 LYS N . 53291 4 123 . 1 . 1 72 72 ILE H H 1 8.001 0.005 . 1 . . . . . 72 ILE H . 53291 4 124 . 1 . 1 72 72 ILE N N 15 122.236 0.010 . 1 . . . . . 72 ILE N . 53291 4 125 . 1 . 1 73 73 ALA H H 1 8.487 0.005 . 1 . . . . . 73 ALA H . 53291 4 126 . 1 . 1 73 73 ALA N N 15 121.645 0.010 . 1 . . . . . 73 ALA N . 53291 4 127 . 1 . 1 74 74 PHE H H 1 8.125 0.005 . 1 . . . . . 74 PHE H . 53291 4 128 . 1 . 1 74 74 PHE N N 15 117.761 0.010 . 1 . . . . . 74 PHE N . 53291 4 129 . 1 . 1 75 75 GLN H H 1 8.170 0.005 . 1 . . . . . 75 GLN H . 53291 4 130 . 1 . 1 75 75 GLN N N 15 120.811 0.010 . 1 . . . . . 75 GLN N . 53291 4 131 . 1 . 1 76 76 TYR H H 1 7.719 0.005 . 1 . . . . . 76 TYR H . 53291 4 132 . 1 . 1 76 76 TYR N N 15 114.845 0.010 . 1 . . . . . 76 TYR N . 53291 4 133 . 1 . 1 77 77 GLY H H 1 7.516 0.005 . 1 . . . . . 77 GLY H . 53291 4 134 . 1 . 1 77 77 GLY N N 15 110.270 0.010 . 1 . . . . . 77 GLY N . 53291 4 135 . 1 . 1 78 78 ILE H H 1 8.276 0.005 . 1 . . . . . 78 ILE H . 53291 4 136 . 1 . 1 78 78 ILE N N 15 121.910 0.010 . 1 . . . . . 78 ILE N . 53291 4 137 . 1 . 1 79 79 THR H H 1 8.212 0.005 . 1 . . . . . 79 THR H . 53291 4 138 . 1 . 1 79 79 THR N N 15 119.321 0.010 . 1 . . . . . 79 THR N . 53291 4 139 . 1 . 1 80 80 ASP H H 1 7.944 0.005 . 1 . . . . . 80 ASP H . 53291 4 140 . 1 . 1 80 80 ASP N N 15 123.082 0.010 . 1 . . . . . 80 ASP N . 53291 4 141 . 1 . 1 81 81 LEU H H 1 8.379 0.005 . 1 . . . . . 81 LEU H . 53291 4 142 . 1 . 1 81 81 LEU N N 15 126.532 0.010 . 1 . . . . . 81 LEU N . 53291 4 143 . 1 . 1 82 82 ARG H H 1 8.416 0.005 . 1 . . . . . 82 ARG H . 53291 4 144 . 1 . 1 82 82 ARG N N 15 118.986 0.010 . 1 . . . . . 82 ARG N . 53291 4 145 . 1 . 1 83 83 GLY H H 1 8.270 0.005 . 1 . . . . . 83 GLY H . 53291 4 146 . 1 . 1 83 83 GLY N N 15 109.248 0.010 . 1 . . . . . 83 GLY N . 53291 4 147 . 1 . 1 84 84 MET H H 1 7.886 0.005 . 1 . . . . . 84 MET H . 53291 4 148 . 1 . 1 84 84 MET N N 15 123.804 0.010 . 1 . . . . . 84 MET N . 53291 4 149 . 1 . 1 85 85 LEU H H 1 8.290 0.005 . 1 . . . . . 85 LEU H . 53291 4 150 . 1 . 1 85 85 LEU N N 15 119.670 0.010 . 1 . . . . . 85 LEU N . 53291 4 151 . 1 . 1 86 86 LYS H H 1 7.789 0.005 . 1 . . . . . 86 LYS H . 53291 4 152 . 1 . 1 86 86 LYS N N 15 120.273 0.010 . 1 . . . . . 86 LYS N . 53291 4 153 . 1 . 1 87 87 ARG H H 1 7.645 0.005 . 1 . . . . . 87 ARG H . 53291 4 154 . 1 . 1 87 87 ARG N N 15 120.676 0.010 . 1 . . . . . 87 ARG N . 53291 4 155 . 1 . 1 88 88 LEU H H 1 8.277 0.005 . 1 . . . . . 88 LEU H . 53291 4 156 . 1 . 1 88 88 LEU N N 15 121.308 0.010 . 1 . . . . . 88 LEU N . 53291 4 157 . 1 . 1 89 89 LYS H H 1 7.933 0.005 . 1 . . . . . 89 LYS H . 53291 4 158 . 1 . 1 89 89 LYS N N 15 119.395 0.010 . 1 . . . . . 89 LYS N . 53291 4 159 . 1 . 1 90 90 ARG H H 1 7.600 0.005 . 1 . . . . . 90 ARG H . 53291 4 160 . 1 . 1 90 90 ARG N N 15 119.869 0.010 . 1 . . . . . 90 ARG N . 53291 4 161 . 1 . 1 91 91 MET H H 1 8.046 0.005 . 1 . . . . . 91 MET H . 53291 4 162 . 1 . 1 91 91 MET N N 15 120.021 0.010 . 1 . . . . . 91 MET N . 53291 4 163 . 1 . 1 92 92 ARG H H 1 8.023 0.005 . 1 . . . . . 92 ARG H . 53291 4 164 . 1 . 1 92 92 ARG N N 15 120.492 0.010 . 1 . . . . . 92 ARG N . 53291 4 165 . 1 . 1 93 93 ARG H H 1 7.949 0.005 . 1 . . . . . 93 ARG H . 53291 4 166 . 1 . 1 93 93 ARG N N 15 121.698 0.010 . 1 . . . . . 93 ARG N . 53291 4 167 . 1 . 1 94 94 GLU H H 1 8.218 0.005 . 1 . . . . . 94 GLU H . 53291 4 168 . 1 . 1 94 94 GLU N N 15 121.401 0.010 . 1 . . . . . 94 GLU N . 53291 4 169 . 1 . 1 95 95 GLU H H 1 8.141 0.005 . 1 . . . . . 95 GLU H . 53291 4 170 . 1 . 1 95 95 GLU N N 15 122.590 0.010 . 1 . . . . . 95 GLU N . 53291 4 171 . 1 . 1 96 96 LYS H H 1 8.145 0.005 . 1 . . . . . 96 LYS H . 53291 4 172 . 1 . 1 96 96 LYS N N 15 122.549 0.010 . 1 . . . . . 96 LYS N . 53291 4 173 . 1 . 1 97 97 LYS H H 1 8.166 0.005 . 1 . . . . . 97 LYS H . 53291 4 174 . 1 . 1 97 97 LYS N N 15 122.930 0.010 . 1 . . . . . 97 LYS N . 53291 4 175 . 1 . 1 98 98 SER H H 1 8.177 0.005 . 1 . . . . . 98 SER H . 53291 4 176 . 1 . 1 98 98 SER N N 15 117.317 0.010 . 1 . . . . . 98 SER N . 53291 4 177 . 1 . 1 99 99 ALA H H 1 8.201 0.005 . 1 . . . . . 99 ALA H . 53291 4 178 . 1 . 1 99 99 ALA N N 15 126.803 0.010 . 1 . . . . . 99 ALA N . 53291 4 179 . 1 . 1 100 100 ALA H H 1 8.004 0.005 . 1 . . . . . 100 ALA H . 53291 4 180 . 1 . 1 100 100 ALA N N 15 123.169 0.010 . 1 . . . . . 100 ALA N . 53291 4 181 . 1 . 1 101 101 PHE H H 1 7.876 0.005 . 1 . . . . . 101 PHE H . 53291 4 182 . 1 . 1 101 101 PHE N N 15 119.328 0.010 . 1 . . . . . 101 PHE N . 53291 4 183 . 1 . 1 102 102 ALA H H 1 7.968 0.005 . 1 . . . . . 102 ALA H . 53291 4 184 . 1 . 1 102 102 ALA N N 15 126.794 0.010 . 1 . . . . . 102 ALA N . 53291 4 185 . 1 . 1 103 103 LYS H H 1 7.747 0.005 . 1 . . . . . 103 LYS H . 53291 4 186 . 1 . 1 103 103 LYS N N 15 126.884 0.010 . 1 . . . . . 103 LYS N . 53291 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_assigned_chemical_shifts_5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5 _Assigned_chem_shift_list.Entry_ID 53291 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Name '1:1 myosin S2delta : 15N wild-type M-domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '2D 1H-15N HSQC' . . . 53291 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 $software_1 . . 53291 5 2 $software_2 . . 53291 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 8 8 GLU H H 1 8.380 0.005 . 1 . . . . . 8 GLU H . 53291 5 2 . 1 . 1 8 8 GLU N N 15 123.389 0.010 . 1 . . . . . 8 GLU N . 53291 5 3 . 1 . 1 9 9 SER H H 1 8.417 0.005 . 1 . . . . . 9 SER H . 53291 5 4 . 1 . 1 9 9 SER N N 15 117.992 0.010 . 1 . . . . . 9 SER N . 53291 5 5 . 1 . 1 10 10 THR H H 1 8.172 0.005 . 1 . . . . . 10 THR H . 53291 5 6 . 1 . 1 10 10 THR N N 15 116.382 0.010 . 1 . . . . . 10 THR N . 53291 5 7 . 1 . 1 11 11 GLY H H 1 8.351 0.005 . 1 . . . . . 11 GLY H . 53291 5 8 . 1 . 1 11 11 GLY N N 15 111.926 0.010 . 1 . . . . . 11 GLY N . 53291 5 9 . 1 . 1 12 12 THR H H 1 8.018 0.005 . 1 . . . . . 12 THR H . 53291 5 10 . 1 . 1 12 12 THR N N 15 114.306 0.010 . 1 . . . . . 12 THR N . 53291 5 11 . 1 . 1 13 13 THR H H 1 8.185 0.005 . 1 . . . . . 13 THR H . 53291 5 12 . 1 . 1 13 13 THR N N 15 119.891 0.010 . 1 . . . . . 13 THR N . 53291 5 13 . 1 . 1 15 15 ASN H H 1 8.432 0.005 . 1 . . . . . 15 ASN H . 53291 5 14 . 1 . 1 15 15 ASN N N 15 119.999 0.010 . 1 . . . . . 15 ASN N . 53291 5 15 . 1 . 1 16 16 ILE H H 1 7.957 0.005 . 1 . . . . . 16 ILE H . 53291 5 16 . 1 . 1 16 16 ILE N N 15 121.495 0.010 . 1 . . . . . 16 ILE N . 53291 5 17 . 1 . 1 17 17 ASP H H 1 8.314 0.005 . 1 . . . . . 17 ASP H . 53291 5 18 . 1 . 1 17 17 ASP N N 15 125.273 0.010 . 1 . . . . . 17 ASP N . 53291 5 19 . 1 . 1 18 18 ILE H H 1 8.059 0.005 . 1 . . . . . 18 ILE H . 53291 5 20 . 1 . 1 18 18 ILE N N 15 122.765 0.010 . 1 . . . . . 18 ILE N . 53291 5 21 . 1 . 1 19 19 ARG H H 1 8.262 0.005 . 1 . . . . . 19 ARG H . 53291 5 22 . 1 . 1 19 19 ARG N N 15 123.933 0.010 . 1 . . . . . 19 ARG N . 53291 5 23 . 1 . 1 20 20 SER H H 1 8.061 0.005 . 1 . . . . . 20 SER H . 53291 5 24 . 1 . 1 20 20 SER N N 15 116.705 0.010 . 1 . . . . . 20 SER N . 53291 5 25 . 1 . 1 21 21 ALA H H 1 8.085 0.005 . 1 . . . . . 21 ALA H . 53291 5 26 . 1 . 1 21 21 ALA N N 15 126.133 0.010 . 1 . . . . . 21 ALA N . 53291 5 27 . 1 . 1 22 22 PHE H H 1 7.936 0.005 . 1 . . . . . 22 PHE H . 53291 5 28 . 1 . 1 22 22 PHE N N 15 119.387 0.010 . 1 . . . . . 22 PHE N . 53291 5 29 . 1 . 1 23 23 LYS H H 1 7.993 0.005 . 1 . . . . . 23 LYS H . 53291 5 30 . 1 . 1 23 23 LYS N N 15 123.883 0.010 . 1 . . . . . 23 LYS N . 53291 5 31 . 1 . 1 24 24 ARG H H 1 8.312 0.005 . 1 . . . . . 24 ARG H . 53291 5 32 . 1 . 1 24 24 ARG N N 15 123.681 0.010 . 1 . . . . . 24 ARG N . 53291 5 33 . 1 . 1 25 25 SER H H 1 8.357 0.005 . 1 . . . . . 25 SER H . 53291 5 34 . 1 . 1 25 25 SER N N 15 118.097 0.010 . 1 . . . . . 25 SER N . 53291 5 35 . 1 . 1 26 26 GLY H H 1 8.411 0.005 . 1 . . . . . 26 GLY H . 53291 5 36 . 1 . 1 26 26 GLY N N 15 111.955 0.010 . 1 . . . . . 26 GLY N . 53291 5 37 . 1 . 1 27 27 GLU H H 1 8.210 0.005 . 1 . . . . . 27 GLU H . 53291 5 38 . 1 . 1 27 27 GLU N N 15 121.312 0.010 . 1 . . . . . 27 GLU N . 53291 5 39 . 1 . 1 28 28 GLY H H 1 8.523 0.005 . 1 . . . . . 28 GLY H . 53291 5 40 . 1 . 1 28 28 GLY N N 15 111.278 0.010 . 1 . . . . . 28 GLY N . 53291 5 41 . 1 . 1 29 29 GLN H H 1 8.153 0.005 . 1 . . . . . 29 GLN H . 53291 5 42 . 1 . 1 29 29 GLN N N 15 120.486 0.010 . 1 . . . . . 29 GLN N . 53291 5 43 . 1 . 1 30 30 GLU H H 1 8.567 0.005 . 1 . . . . . 30 GLU H . 53291 5 44 . 1 . 1 30 30 GLU N N 15 122.925 0.010 . 1 . . . . . 30 GLU N . 53291 5 45 . 1 . 1 31 31 ASP H H 1 8.321 0.005 . 1 . . . . . 31 ASP H . 53291 5 46 . 1 . 1 31 31 ASP N N 15 122.219 0.010 . 1 . . . . . 31 ASP N . 53291 5 47 . 1 . 1 32 32 ALA H H 1 8.225 0.005 . 1 . . . . . 32 ALA H . 53291 5 48 . 1 . 1 32 32 ALA N N 15 125.774 0.010 . 1 . . . . . 32 ALA N . 53291 5 49 . 1 . 1 33 33 GLY H H 1 8.333 0.005 . 1 . . . . . 33 GLY H . 53291 5 50 . 1 . 1 33 33 GLY N N 15 108.630 0.010 . 1 . . . . . 33 GLY N . 53291 5 51 . 1 . 1 34 34 GLU H H 1 8.176 0.005 . 1 . . . . . 34 GLU H . 53291 5 52 . 1 . 1 34 34 GLU N N 15 121.222 0.010 . 1 . . . . . 34 GLU N . 53291 5 53 . 1 . 1 35 35 LEU H H 1 8.124 0.005 . 1 . . . . . 35 LEU H . 53291 5 54 . 1 . 1 35 35 LEU N N 15 123.344 0.010 . 1 . . . . . 35 LEU N . 53291 5 55 . 1 . 1 36 36 ASP H H 1 8.129 0.005 . 1 . . . . . 36 ASP H . 53291 5 56 . 1 . 1 36 36 ASP N N 15 121.627 0.010 . 1 . . . . . 36 ASP N . 53291 5 57 . 1 . 1 37 37 PHE H H 1 8.275 0.005 . 1 . . . . . 37 PHE H . 53291 5 58 . 1 . 1 37 37 PHE N N 15 122.743 0.010 . 1 . . . . . 37 PHE N . 53291 5 59 . 1 . 1 38 38 SER H H 1 8.311 0.005 . 1 . . . . . 38 SER H . 53291 5 60 . 1 . 1 38 38 SER N N 15 117.485 0.010 . 1 . . . . . 38 SER N . 53291 5 61 . 1 . 1 39 39 GLY H H 1 8.099 0.005 . 1 . . . . . 39 GLY H . 53291 5 62 . 1 . 1 39 39 GLY N N 15 111.375 0.010 . 1 . . . . . 39 GLY N . 53291 5 63 . 1 . 1 40 40 LEU H H 1 7.856 0.005 . 1 . . . . . 40 LEU H . 53291 5 64 . 1 . 1 40 40 LEU N N 15 122.217 0.010 . 1 . . . . . 40 LEU N . 53291 5 65 . 1 . 1 41 41 LEU H H 1 7.990 0.005 . 1 . . . . . 41 LEU H . 53291 5 66 . 1 . 1 41 41 LEU N N 15 121.777 0.010 . 1 . . . . . 41 LEU N . 53291 5 67 . 1 . 1 42 42 LYS H H 1 8.000 0.005 . 1 . . . . . 42 LYS H . 53291 5 68 . 1 . 1 42 42 LYS N N 15 122.318 0.010 . 1 . . . . . 42 LYS N . 53291 5 69 . 1 . 1 43 43 ARG H H 1 8.134 0.005 . 1 . . . . . 43 ARG H . 53291 5 70 . 1 . 1 43 43 ARG N N 15 122.639 0.010 . 1 . . . . . 43 ARG N . 53291 5 71 . 1 . 1 44 44 ARG H H 1 8.247 0.005 . 1 . . . . . 44 ARG H . 53291 5 72 . 1 . 1 44 44 ARG N N 15 123.100 0.010 . 1 . . . . . 44 ARG N . 53291 5 73 . 1 . 1 45 45 GLU H H 1 8.361 0.005 . 1 . . . . . 45 GLU H . 53291 5 74 . 1 . 1 45 45 GLU N N 15 123.243 0.010 . 1 . . . . . 45 GLU N . 53291 5 75 . 1 . 1 46 46 VAL H H 1 8.104 0.005 . 1 . . . . . 46 VAL H . 53291 5 76 . 1 . 1 46 46 VAL N N 15 122.603 0.010 . 1 . . . . . 46 VAL N . 53291 5 77 . 1 . 1 47 47 LYS H H 1 8.337 0.005 . 1 . . . . . 47 LYS H . 53291 5 78 . 1 . 1 47 47 LYS N N 15 126.194 0.010 . 1 . . . . . 47 LYS N . 53291 5 79 . 1 . 1 48 48 GLN H H 1 8.397 0.005 . 1 . . . . . 48 GLN H . 53291 5 80 . 1 . 1 48 48 GLN N N 15 122.990 0.010 . 1 . . . . . 48 GLN N . 53291 5 81 . 1 . 1 49 49 GLN H H 1 8.383 0.005 . 1 . . . . . 49 GLN H . 53291 5 82 . 1 . 1 49 49 GLN N N 15 122.359 0.010 . 1 . . . . . 49 GLN N . 53291 5 83 . 1 . 1 50 50 GLU H H 1 8.419 0.005 . 1 . . . . . 50 GLU H . 53291 5 84 . 1 . 1 50 50 GLU N N 15 122.900 0.010 . 1 . . . . . 50 GLU N . 53291 5 85 . 1 . 1 51 51 GLU H H 1 8.328 0.005 . 1 . . . . . 51 GLU H . 53291 5 86 . 1 . 1 51 51 GLU N N 15 122.354 0.010 . 1 . . . . . 51 GLU N . 53291 5 87 . 1 . 1 52 52 GLU H H 1 8.349 0.005 . 1 . . . . . 52 GLU H . 53291 5 88 . 1 . 1 52 52 GLU N N 15 124.293 0.010 . 1 . . . . . 52 GLU N . 53291 5 89 . 1 . 1 54 54 GLN H H 1 8.504 0.005 . 1 . . . . . 54 GLN H . 53291 5 90 . 1 . 1 54 54 GLN N N 15 122.068 0.010 . 1 . . . . . 54 GLN N . 53291 5 91 . 1 . 1 55 55 VAL H H 1 8.087 0.005 . 1 . . . . . 55 VAL H . 53291 5 92 . 1 . 1 55 55 VAL N N 15 122.378 0.010 . 1 . . . . . 55 VAL N . 53291 5 93 . 1 . 1 56 56 ASP H H 1 8.354 0.005 . 1 . . . . . 56 ASP H . 53291 5 94 . 1 . 1 56 56 ASP N N 15 125.803 0.010 . 1 . . . . . 56 ASP N . 53291 5 95 . 1 . 1 57 57 VAL H H 1 8.163 0.005 . 1 . . . . . 57 VAL H . 53291 5 96 . 1 . 1 57 57 VAL N N 15 124.986 0.010 . 1 . . . . . 57 VAL N . 53291 5 97 . 1 . 1 58 58 TRP H H 1 7.562 0.005 . 1 . . . . . 58 TRP H . 53291 5 98 . 1 . 1 58 58 TRP N N 15 122.104 0.010 . 1 . . . . . 58 TRP N . 53291 5 99 . 1 . 1 59 59 GLU H H 1 7.495 0.005 . 1 . . . . . 59 GLU H . 53291 5 100 . 1 . 1 59 59 GLU N N 15 119.481 0.010 . 1 . . . . . 59 GLU N . 53291 5 101 . 1 . 1 60 60 LEU H H 1 7.378 0.005 . 1 . . . . . 60 LEU H . 53291 5 102 . 1 . 1 60 60 LEU N N 15 119.162 0.010 . 1 . . . . . 60 LEU N . 53291 5 103 . 1 . 1 61 61 LEU H H 1 8.079 0.005 . 1 . . . . . 61 LEU H . 53291 5 104 . 1 . 1 61 61 LEU N N 15 119.024 0.010 . 1 . . . . . 61 LEU N . 53291 5 105 . 1 . 1 62 62 LYS H H 1 7.959 0.005 . 1 . . . . . 62 LYS H . 53291 5 106 . 1 . 1 62 62 LYS N N 15 119.337 0.010 . 1 . . . . . 62 LYS N . 53291 5 107 . 1 . 1 63 63 ASN H H 1 7.235 0.005 . 1 . . . . . 63 ASN H . 53291 5 108 . 1 . 1 63 63 ASN N N 15 114.567 0.010 . 1 . . . . . 63 ASN N . 53291 5 109 . 1 . 1 64 64 ALA H H 1 7.369 0.005 . 1 . . . . . 64 ALA H . 53291 5 110 . 1 . 1 64 64 ALA N N 15 124.581 0.010 . 1 . . . . . 64 ALA N . 53291 5 111 . 1 . 1 65 65 LYS H H 1 8.567 0.005 . 1 . . . . . 65 LYS H . 53291 5 112 . 1 . 1 65 65 LYS N N 15 122.257 0.010 . 1 . . . . . 65 LYS N . 53291 5 113 . 1 . 1 67 67 SER H H 1 7.620 0.005 . 1 . . . . . 67 SER H . 53291 5 114 . 1 . 1 67 67 SER N N 15 111.405 0.010 . 1 . . . . . 67 SER N . 53291 5 115 . 1 . 1 68 68 GLU H H 1 8.248 0.005 . 1 . . . . . 68 GLU H . 53291 5 116 . 1 . 1 68 68 GLU N N 15 121.291 0.010 . 1 . . . . . 68 GLU N . 53291 5 117 . 1 . 1 69 69 TYR H H 1 7.278 0.005 . 1 . . . . . 69 TYR H . 53291 5 118 . 1 . 1 69 69 TYR N N 15 118.866 0.010 . 1 . . . . . 69 TYR N . 53291 5 119 . 1 . 1 70 70 GLU H H 1 8.692 0.005 . 1 . . . . . 70 GLU H . 53291 5 120 . 1 . 1 70 70 GLU N N 15 117.894 0.010 . 1 . . . . . 70 GLU N . 53291 5 121 . 1 . 1 71 71 LYS H H 1 7.876 0.005 . 1 . . . . . 71 LYS H . 53291 5 122 . 1 . 1 71 71 LYS N N 15 121.702 0.010 . 1 . . . . . 71 LYS N . 53291 5 123 . 1 . 1 72 72 ILE H H 1 7.999 0.005 . 1 . . . . . 72 ILE H . 53291 5 124 . 1 . 1 72 72 ILE N N 15 122.254 0.010 . 1 . . . . . 72 ILE N . 53291 5 125 . 1 . 1 73 73 ALA H H 1 8.490 0.005 . 1 . . . . . 73 ALA H . 53291 5 126 . 1 . 1 73 73 ALA N N 15 121.640 0.010 . 1 . . . . . 73 ALA N . 53291 5 127 . 1 . 1 74 74 PHE H H 1 8.124 0.005 . 1 . . . . . 74 PHE H . 53291 5 128 . 1 . 1 74 74 PHE N N 15 117.718 0.010 . 1 . . . . . 74 PHE N . 53291 5 129 . 1 . 1 75 75 GLN H H 1 8.172 0.005 . 1 . . . . . 75 GLN H . 53291 5 130 . 1 . 1 75 75 GLN N N 15 120.741 0.010 . 1 . . . . . 75 GLN N . 53291 5 131 . 1 . 1 76 76 TYR H H 1 7.718 0.005 . 1 . . . . . 76 TYR H . 53291 5 132 . 1 . 1 76 76 TYR N N 15 114.787 0.010 . 1 . . . . . 76 TYR N . 53291 5 133 . 1 . 1 77 77 GLY H H 1 7.513 0.005 . 1 . . . . . 77 GLY H . 53291 5 134 . 1 . 1 77 77 GLY N N 15 110.286 0.010 . 1 . . . . . 77 GLY N . 53291 5 135 . 1 . 1 78 78 ILE H H 1 8.278 0.005 . 1 . . . . . 78 ILE H . 53291 5 136 . 1 . 1 78 78 ILE N N 15 121.916 0.010 . 1 . . . . . 78 ILE N . 53291 5 137 . 1 . 1 79 79 THR H H 1 8.211 0.005 . 1 . . . . . 79 THR H . 53291 5 138 . 1 . 1 79 79 THR N N 15 119.237 0.010 . 1 . . . . . 79 THR N . 53291 5 139 . 1 . 1 80 80 ASP H H 1 7.944 0.005 . 1 . . . . . 80 ASP H . 53291 5 140 . 1 . 1 80 80 ASP N N 15 123.135 0.010 . 1 . . . . . 80 ASP N . 53291 5 141 . 1 . 1 81 81 LEU H H 1 8.367 0.005 . 1 . . . . . 81 LEU H . 53291 5 142 . 1 . 1 81 81 LEU N N 15 126.532 0.010 . 1 . . . . . 81 LEU N . 53291 5 143 . 1 . 1 82 82 ARG H H 1 8.413 0.005 . 1 . . . . . 82 ARG H . 53291 5 144 . 1 . 1 82 82 ARG N N 15 119.059 0.010 . 1 . . . . . 82 ARG N . 53291 5 145 . 1 . 1 83 83 GLY H H 1 8.274 0.005 . 1 . . . . . 83 GLY H . 53291 5 146 . 1 . 1 83 83 GLY N N 15 109.212 0.010 . 1 . . . . . 83 GLY N . 53291 5 147 . 1 . 1 84 84 MET H H 1 7.880 0.005 . 1 . . . . . 84 MET H . 53291 5 148 . 1 . 1 84 84 MET N N 15 123.824 0.010 . 1 . . . . . 84 MET N . 53291 5 149 . 1 . 1 85 85 LEU H H 1 8.296 0.005 . 1 . . . . . 85 LEU H . 53291 5 150 . 1 . 1 85 85 LEU N N 15 119.722 0.010 . 1 . . . . . 85 LEU N . 53291 5 151 . 1 . 1 86 86 LYS H H 1 7.806 0.005 . 1 . . . . . 86 LYS H . 53291 5 152 . 1 . 1 86 86 LYS N N 15 120.342 0.010 . 1 . . . . . 86 LYS N . 53291 5 153 . 1 . 1 87 87 ARG H H 1 7.651 0.005 . 1 . . . . . 87 ARG H . 53291 5 154 . 1 . 1 87 87 ARG N N 15 120.755 0.010 . 1 . . . . . 87 ARG N . 53291 5 155 . 1 . 1 88 88 LEU H H 1 8.314 0.005 . 1 . . . . . 88 LEU H . 53291 5 156 . 1 . 1 88 88 LEU N N 15 121.353 0.010 . 1 . . . . . 88 LEU N . 53291 5 157 . 1 . 1 89 89 LYS H H 1 7.932 0.005 . 1 . . . . . 89 LYS H . 53291 5 158 . 1 . 1 89 89 LYS N N 15 119.396 0.010 . 1 . . . . . 89 LYS N . 53291 5 159 . 1 . 1 90 90 ARG H H 1 7.606 0.005 . 1 . . . . . 90 ARG H . 53291 5 160 . 1 . 1 90 90 ARG N N 15 119.953 0.010 . 1 . . . . . 90 ARG N . 53291 5 161 . 1 . 1 91 91 MET H H 1 8.065 0.005 . 1 . . . . . 91 MET H . 53291 5 162 . 1 . 1 91 91 MET N N 15 119.995 0.010 . 1 . . . . . 91 MET N . 53291 5 163 . 1 . 1 92 92 ARG H H 1 8.025 0.005 . 1 . . . . . 92 ARG H . 53291 5 164 . 1 . 1 92 92 ARG N N 15 120.355 0.010 . 1 . . . . . 92 ARG N . 53291 5 165 . 1 . 1 93 93 ARG H H 1 7.924 0.005 . 1 . . . . . 93 ARG H . 53291 5 166 . 1 . 1 93 93 ARG N N 15 121.560 0.010 . 1 . . . . . 93 ARG N . 53291 5 167 . 1 . 1 94 94 GLU H H 1 8.210 0.005 . 1 . . . . . 94 GLU H . 53291 5 168 . 1 . 1 94 94 GLU N N 15 121.369 0.010 . 1 . . . . . 94 GLU N . 53291 5 169 . 1 . 1 95 95 GLU H H 1 8.130 0.005 . 1 . . . . . 95 GLU H . 53291 5 170 . 1 . 1 95 95 GLU N N 15 122.518 0.010 . 1 . . . . . 95 GLU N . 53291 5 171 . 1 . 1 96 96 LYS H H 1 8.124 0.005 . 1 . . . . . 96 LYS H . 53291 5 172 . 1 . 1 96 96 LYS N N 15 122.394 0.010 . 1 . . . . . 96 LYS N . 53291 5 173 . 1 . 1 97 97 LYS H H 1 8.138 0.005 . 1 . . . . . 97 LYS H . 53291 5 174 . 1 . 1 97 97 LYS N N 15 122.714 0.010 . 1 . . . . . 97 LYS N . 53291 5 175 . 1 . 1 98 98 SER H H 1 8.160 0.005 . 1 . . . . . 98 SER H . 53291 5 176 . 1 . 1 98 98 SER N N 15 117.191 0.010 . 1 . . . . . 98 SER N . 53291 5 177 . 1 . 1 99 99 ALA H H 1 8.183 0.005 . 1 . . . . . 99 ALA H . 53291 5 178 . 1 . 1 99 99 ALA N N 15 126.747 0.010 . 1 . . . . . 99 ALA N . 53291 5 179 . 1 . 1 100 100 ALA H H 1 7.992 0.005 . 1 . . . . . 100 ALA H . 53291 5 180 . 1 . 1 100 100 ALA N N 15 123.101 0.010 . 1 . . . . . 100 ALA N . 53291 5 181 . 1 . 1 101 101 PHE H H 1 7.867 0.005 . 1 . . . . . 101 PHE H . 53291 5 182 . 1 . 1 101 101 PHE N N 15 119.283 0.010 . 1 . . . . . 101 PHE N . 53291 5 183 . 1 . 1 102 102 ALA H H 1 7.961 0.005 . 1 . . . . . 102 ALA H . 53291 5 184 . 1 . 1 102 102 ALA N N 15 126.758 0.010 . 1 . . . . . 102 ALA N . 53291 5 185 . 1 . 1 103 103 LYS H H 1 7.745 0.005 . 1 . . . . . 103 LYS H . 53291 5 186 . 1 . 1 103 103 LYS N N 15 126.880 0.010 . 1 . . . . . 103 LYS N . 53291 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_assigned_chemical_shifts_6 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_6 _Assigned_chem_shift_list.Entry_ID 53291 _Assigned_chem_shift_list.ID 6 _Assigned_chem_shift_list.Name '2:1 myosin S2delta : 15N wild-type M-domain' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 6 '2D 1H-15N HSQC' . . . 53291 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 $software_1 . . 53291 6 2 $software_2 . . 53291 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 8 8 GLU H H 1 8.390 0.005 . 1 . . . . . 8 GLU H . 53291 6 2 . 1 . 1 8 8 GLU N N 15 123.429 0.010 . 1 . . . . . 8 GLU N . 53291 6 3 . 1 . 1 9 9 SER H H 1 8.423 0.005 . 1 . . . . . 9 SER H . 53291 6 4 . 1 . 1 9 9 SER N N 15 118.019 0.010 . 1 . . . . . 9 SER N . 53291 6 5 . 1 . 1 10 10 THR H H 1 8.174 0.005 . 1 . . . . . 10 THR H . 53291 6 6 . 1 . 1 10 10 THR N N 15 116.410 0.010 . 1 . . . . . 10 THR N . 53291 6 7 . 1 . 1 11 11 GLY H H 1 8.353 0.005 . 1 . . . . . 11 GLY H . 53291 6 8 . 1 . 1 11 11 GLY N N 15 111.941 0.010 . 1 . . . . . 11 GLY N . 53291 6 9 . 1 . 1 12 12 THR H H 1 8.020 0.005 . 1 . . . . . 12 THR H . 53291 6 10 . 1 . 1 12 12 THR N N 15 114.324 0.010 . 1 . . . . . 12 THR N . 53291 6 11 . 1 . 1 13 13 THR H H 1 8.185 0.005 . 1 . . . . . 13 THR H . 53291 6 12 . 1 . 1 13 13 THR N N 15 119.891 0.010 . 1 . . . . . 13 THR N . 53291 6 13 . 1 . 1 15 15 ASN H H 1 8.434 0.005 . 1 . . . . . 15 ASN H . 53291 6 14 . 1 . 1 15 15 ASN N N 15 120.011 0.010 . 1 . . . . . 15 ASN N . 53291 6 15 . 1 . 1 16 16 ILE H H 1 7.958 0.005 . 1 . . . . . 16 ILE H . 53291 6 16 . 1 . 1 16 16 ILE N N 15 121.487 0.010 . 1 . . . . . 16 ILE N . 53291 6 17 . 1 . 1 17 17 ASP H H 1 8.313 0.005 . 1 . . . . . 17 ASP H . 53291 6 18 . 1 . 1 17 17 ASP N N 15 125.281 0.010 . 1 . . . . . 17 ASP N . 53291 6 19 . 1 . 1 18 18 ILE H H 1 8.058 0.005 . 1 . . . . . 18 ILE H . 53291 6 20 . 1 . 1 18 18 ILE N N 15 122.754 0.010 . 1 . . . . . 18 ILE N . 53291 6 21 . 1 . 1 19 19 ARG H H 1 8.261 0.005 . 1 . . . . . 19 ARG H . 53291 6 22 . 1 . 1 19 19 ARG N N 15 123.942 0.010 . 1 . . . . . 19 ARG N . 53291 6 23 . 1 . 1 20 20 SER H H 1 8.065 0.005 . 1 . . . . . 20 SER H . 53291 6 24 . 1 . 1 20 20 SER N N 15 116.728 0.010 . 1 . . . . . 20 SER N . 53291 6 25 . 1 . 1 21 21 ALA H H 1 8.089 0.005 . 1 . . . . . 21 ALA H . 53291 6 26 . 1 . 1 21 21 ALA N N 15 126.150 0.010 . 1 . . . . . 21 ALA N . 53291 6 27 . 1 . 1 22 22 PHE H H 1 7.936 0.005 . 1 . . . . . 22 PHE H . 53291 6 28 . 1 . 1 22 22 PHE N N 15 119.379 0.010 . 1 . . . . . 22 PHE N . 53291 6 29 . 1 . 1 23 23 LYS H H 1 7.991 0.005 . 1 . . . . . 23 LYS H . 53291 6 30 . 1 . 1 23 23 LYS N N 15 123.862 0.010 . 1 . . . . . 23 LYS N . 53291 6 31 . 1 . 1 24 24 ARG H H 1 8.313 0.005 . 1 . . . . . 24 ARG H . 53291 6 32 . 1 . 1 24 24 ARG N N 15 123.673 0.010 . 1 . . . . . 24 ARG N . 53291 6 33 . 1 . 1 25 25 SER H H 1 8.356 0.005 . 1 . . . . . 25 SER H . 53291 6 34 . 1 . 1 25 25 SER N N 15 118.090 0.010 . 1 . . . . . 25 SER N . 53291 6 35 . 1 . 1 26 26 GLY H H 1 8.409 0.005 . 1 . . . . . 26 GLY H . 53291 6 36 . 1 . 1 26 26 GLY N N 15 111.964 0.010 . 1 . . . . . 26 GLY N . 53291 6 37 . 1 . 1 27 27 GLU H H 1 8.209 0.005 . 1 . . . . . 27 GLU H . 53291 6 38 . 1 . 1 27 27 GLU N N 15 121.321 0.010 . 1 . . . . . 27 GLU N . 53291 6 39 . 1 . 1 28 28 GLY H H 1 8.522 0.005 . 1 . . . . . 28 GLY H . 53291 6 40 . 1 . 1 28 28 GLY N N 15 111.281 0.010 . 1 . . . . . 28 GLY N . 53291 6 41 . 1 . 1 29 29 GLN H H 1 8.153 0.005 . 1 . . . . . 29 GLN H . 53291 6 42 . 1 . 1 29 29 GLN N N 15 120.498 0.010 . 1 . . . . . 29 GLN N . 53291 6 43 . 1 . 1 30 30 GLU H H 1 8.566 0.005 . 1 . . . . . 30 GLU H . 53291 6 44 . 1 . 1 30 30 GLU N N 15 122.933 0.010 . 1 . . . . . 30 GLU N . 53291 6 45 . 1 . 1 31 31 ASP H H 1 8.320 0.005 . 1 . . . . . 31 ASP H . 53291 6 46 . 1 . 1 31 31 ASP N N 15 122.241 0.010 . 1 . . . . . 31 ASP N . 53291 6 47 . 1 . 1 32 32 ALA H H 1 8.225 0.005 . 1 . . . . . 32 ALA H . 53291 6 48 . 1 . 1 32 32 ALA N N 15 125.792 0.010 . 1 . . . . . 32 ALA N . 53291 6 49 . 1 . 1 33 33 GLY H H 1 8.333 0.005 . 1 . . . . . 33 GLY H . 53291 6 50 . 1 . 1 33 33 GLY N N 15 108.638 0.010 . 1 . . . . . 33 GLY N . 53291 6 51 . 1 . 1 34 34 GLU H H 1 8.173 0.005 . 1 . . . . . 34 GLU H . 53291 6 52 . 1 . 1 34 34 GLU N N 15 121.235 0.010 . 1 . . . . . 34 GLU N . 53291 6 53 . 1 . 1 35 35 LEU H H 1 8.126 0.005 . 1 . . . . . 35 LEU H . 53291 6 54 . 1 . 1 35 35 LEU N N 15 123.364 0.010 . 1 . . . . . 35 LEU N . 53291 6 55 . 1 . 1 36 36 ASP H H 1 8.130 0.005 . 1 . . . . . 36 ASP H . 53291 6 56 . 1 . 1 36 36 ASP N N 15 121.650 0.010 . 1 . . . . . 36 ASP N . 53291 6 57 . 1 . 1 37 37 PHE H H 1 8.278 0.005 . 1 . . . . . 37 PHE H . 53291 6 58 . 1 . 1 37 37 PHE N N 15 122.757 0.010 . 1 . . . . . 37 PHE N . 53291 6 59 . 1 . 1 38 38 SER H H 1 8.311 0.005 . 1 . . . . . 38 SER H . 53291 6 60 . 1 . 1 38 38 SER N N 15 117.496 0.010 . 1 . . . . . 38 SER N . 53291 6 61 . 1 . 1 39 39 GLY H H 1 8.096 0.005 . 1 . . . . . 39 GLY H . 53291 6 62 . 1 . 1 39 39 GLY N N 15 111.400 0.010 . 1 . . . . . 39 GLY N . 53291 6 63 . 1 . 1 40 40 LEU H H 1 7.860 0.005 . 1 . . . . . 40 LEU H . 53291 6 64 . 1 . 1 40 40 LEU N N 15 122.237 0.010 . 1 . . . . . 40 LEU N . 53291 6 65 . 1 . 1 41 41 LEU H H 1 7.992 0.005 . 1 . . . . . 41 LEU H . 53291 6 66 . 1 . 1 41 41 LEU N N 15 121.771 0.010 . 1 . . . . . 41 LEU N . 53291 6 67 . 1 . 1 42 42 LYS H H 1 7.997 0.005 . 1 . . . . . 42 LYS H . 53291 6 68 . 1 . 1 42 42 LYS N N 15 122.297 0.010 . 1 . . . . . 42 LYS N . 53291 6 69 . 1 . 1 43 43 ARG H H 1 8.134 0.005 . 1 . . . . . 43 ARG H . 53291 6 70 . 1 . 1 43 43 ARG N N 15 122.639 0.010 . 1 . . . . . 43 ARG N . 53291 6 71 . 1 . 1 44 44 ARG H H 1 8.246 0.005 . 1 . . . . . 44 ARG H . 53291 6 72 . 1 . 1 44 44 ARG N N 15 123.082 0.010 . 1 . . . . . 44 ARG N . 53291 6 73 . 1 . 1 45 45 GLU H H 1 8.355 0.005 . 1 . . . . . 45 GLU H . 53291 6 74 . 1 . 1 45 45 GLU N N 15 123.244 0.010 . 1 . . . . . 45 GLU N . 53291 6 75 . 1 . 1 46 46 VAL H H 1 8.106 0.005 . 1 . . . . . 46 VAL H . 53291 6 76 . 1 . 1 46 46 VAL N N 15 122.630 0.010 . 1 . . . . . 46 VAL N . 53291 6 77 . 1 . 1 47 47 LYS H H 1 8.335 0.005 . 1 . . . . . 47 LYS H . 53291 6 78 . 1 . 1 47 47 LYS N N 15 126.215 0.010 . 1 . . . . . 47 LYS N . 53291 6 79 . 1 . 1 48 48 GLN H H 1 8.397 0.005 . 1 . . . . . 48 GLN H . 53291 6 80 . 1 . 1 48 48 GLN N N 15 123.020 0.010 . 1 . . . . . 48 GLN N . 53291 6 81 . 1 . 1 49 49 GLN H H 1 8.382 0.005 . 1 . . . . . 49 GLN H . 53291 6 82 . 1 . 1 49 49 GLN N N 15 122.413 0.010 . 1 . . . . . 49 GLN N . 53291 6 83 . 1 . 1 50 50 GLU H H 1 8.420 0.005 . 1 . . . . . 50 GLU H . 53291 6 84 . 1 . 1 50 50 GLU N N 15 122.949 0.010 . 1 . . . . . 50 GLU N . 53291 6 85 . 1 . 1 51 51 GLU H H 1 8.329 0.005 . 1 . . . . . 51 GLU H . 53291 6 86 . 1 . 1 51 51 GLU N N 15 122.413 0.010 . 1 . . . . . 51 GLU N . 53291 6 87 . 1 . 1 52 52 GLU H H 1 8.352 0.005 . 1 . . . . . 52 GLU H . 53291 6 88 . 1 . 1 52 52 GLU N N 15 124.328 0.010 . 1 . . . . . 52 GLU N . 53291 6 89 . 1 . 1 54 54 GLN H H 1 8.502 0.005 . 1 . . . . . 54 GLN H . 53291 6 90 . 1 . 1 54 54 GLN N N 15 122.091 0.010 . 1 . . . . . 54 GLN N . 53291 6 91 . 1 . 1 55 55 VAL H H 1 8.092 0.005 . 1 . . . . . 55 VAL H . 53291 6 92 . 1 . 1 55 55 VAL N N 15 122.419 0.010 . 1 . . . . . 55 VAL N . 53291 6 93 . 1 . 1 56 56 ASP H H 1 8.351 0.005 . 1 . . . . . 56 ASP H . 53291 6 94 . 1 . 1 56 56 ASP N N 15 125.861 0.010 . 1 . . . . . 56 ASP N . 53291 6 95 . 1 . 1 57 57 VAL H H 1 8.163 0.005 . 1 . . . . . 57 VAL H . 53291 6 96 . 1 . 1 57 57 VAL N N 15 124.986 0.010 . 1 . . . . . 57 VAL N . 53291 6 97 . 1 . 1 58 58 TRP H H 1 7.562 0.005 . 1 . . . . . 58 TRP H . 53291 6 98 . 1 . 1 58 58 TRP N N 15 122.104 0.010 . 1 . . . . . 58 TRP N . 53291 6 99 . 1 . 1 59 59 GLU H H 1 7.495 0.005 . 1 . . . . . 59 GLU H . 53291 6 100 . 1 . 1 59 59 GLU N N 15 119.481 0.010 . 1 . . . . . 59 GLU N . 53291 6 101 . 1 . 1 60 60 LEU H H 1 7.378 0.005 . 1 . . . . . 60 LEU H . 53291 6 102 . 1 . 1 60 60 LEU N N 15 119.162 0.010 . 1 . . . . . 60 LEU N . 53291 6 103 . 1 . 1 61 61 LEU H H 1 8.079 0.005 . 1 . . . . . 61 LEU H . 53291 6 104 . 1 . 1 61 61 LEU N N 15 119.024 0.010 . 1 . . . . . 61 LEU N . 53291 6 105 . 1 . 1 62 62 LYS H H 1 7.959 0.005 . 1 . . . . . 62 LYS H . 53291 6 106 . 1 . 1 62 62 LYS N N 15 119.337 0.010 . 1 . . . . . 62 LYS N . 53291 6 107 . 1 . 1 63 63 ASN H H 1 7.235 0.005 . 1 . . . . . 63 ASN H . 53291 6 108 . 1 . 1 63 63 ASN N N 15 114.567 0.010 . 1 . . . . . 63 ASN N . 53291 6 109 . 1 . 1 64 64 ALA H H 1 7.369 0.005 . 1 . . . . . 64 ALA H . 53291 6 110 . 1 . 1 64 64 ALA N N 15 124.581 0.010 . 1 . . . . . 64 ALA N . 53291 6 111 . 1 . 1 65 65 LYS H H 1 8.567 0.005 . 1 . . . . . 65 LYS H . 53291 6 112 . 1 . 1 65 65 LYS N N 15 122.257 0.010 . 1 . . . . . 65 LYS N . 53291 6 113 . 1 . 1 67 67 SER H H 1 7.623 0.005 . 1 . . . . . 67 SER H . 53291 6 114 . 1 . 1 67 67 SER N N 15 111.433 0.010 . 1 . . . . . 67 SER N . 53291 6 115 . 1 . 1 68 68 GLU H H 1 8.248 0.005 . 1 . . . . . 68 GLU H . 53291 6 116 . 1 . 1 68 68 GLU N N 15 121.291 0.010 . 1 . . . . . 68 GLU N . 53291 6 117 . 1 . 1 69 69 TYR H H 1 7.278 0.005 . 1 . . . . . 69 TYR H . 53291 6 118 . 1 . 1 69 69 TYR N N 15 118.866 0.010 . 1 . . . . . 69 TYR N . 53291 6 119 . 1 . 1 70 70 GLU H H 1 8.692 0.005 . 1 . . . . . 70 GLU H . 53291 6 120 . 1 . 1 70 70 GLU N N 15 117.894 0.010 . 1 . . . . . 70 GLU N . 53291 6 121 . 1 . 1 71 71 LYS H H 1 7.876 0.005 . 1 . . . . . 71 LYS H . 53291 6 122 . 1 . 1 71 71 LYS N N 15 121.702 0.010 . 1 . . . . . 71 LYS N . 53291 6 123 . 1 . 1 72 72 ILE H H 1 7.999 0.005 . 1 . . . . . 72 ILE H . 53291 6 124 . 1 . 1 72 72 ILE N N 15 122.254 0.010 . 1 . . . . . 72 ILE N . 53291 6 125 . 1 . 1 73 73 ALA H H 1 8.490 0.005 . 1 . . . . . 73 ALA H . 53291 6 126 . 1 . 1 73 73 ALA N N 15 121.640 0.010 . 1 . . . . . 73 ALA N . 53291 6 127 . 1 . 1 74 74 PHE H H 1 8.124 0.005 . 1 . . . . . 74 PHE H . 53291 6 128 . 1 . 1 74 74 PHE N N 15 117.718 0.010 . 1 . . . . . 74 PHE N . 53291 6 129 . 1 . 1 75 75 GLN H H 1 8.172 0.005 . 1 . . . . . 75 GLN H . 53291 6 130 . 1 . 1 75 75 GLN N N 15 120.741 0.010 . 1 . . . . . 75 GLN N . 53291 6 131 . 1 . 1 76 76 TYR H H 1 7.718 0.005 . 1 . . . . . 76 TYR H . 53291 6 132 . 1 . 1 76 76 TYR N N 15 114.787 0.010 . 1 . . . . . 76 TYR N . 53291 6 133 . 1 . 1 77 77 GLY H H 1 7.513 0.005 . 1 . . . . . 77 GLY H . 53291 6 134 . 1 . 1 77 77 GLY N N 15 110.286 0.010 . 1 . . . . . 77 GLY N . 53291 6 135 . 1 . 1 78 78 ILE H H 1 8.278 0.005 . 1 . . . . . 78 ILE H . 53291 6 136 . 1 . 1 78 78 ILE N N 15 121.916 0.010 . 1 . . . . . 78 ILE N . 53291 6 137 . 1 . 1 79 79 THR H H 1 8.211 0.005 . 1 . . . . . 79 THR H . 53291 6 138 . 1 . 1 79 79 THR N N 15 119.237 0.010 . 1 . . . . . 79 THR N . 53291 6 139 . 1 . 1 80 80 ASP H H 1 7.944 0.005 . 1 . . . . . 80 ASP H . 53291 6 140 . 1 . 1 80 80 ASP N N 15 123.135 0.010 . 1 . . . . . 80 ASP N . 53291 6 141 . 1 . 1 81 81 LEU H H 1 8.367 0.005 . 1 . . . . . 81 LEU H . 53291 6 142 . 1 . 1 81 81 LEU N N 15 126.532 0.010 . 1 . . . . . 81 LEU N . 53291 6 143 . 1 . 1 82 82 ARG H H 1 8.413 0.005 . 1 . . . . . 82 ARG H . 53291 6 144 . 1 . 1 82 82 ARG N N 15 119.059 0.010 . 1 . . . . . 82 ARG N . 53291 6 145 . 1 . 1 83 83 GLY H H 1 8.274 0.005 . 1 . . . . . 83 GLY H . 53291 6 146 . 1 . 1 83 83 GLY N N 15 109.212 0.010 . 1 . . . . . 83 GLY N . 53291 6 147 . 1 . 1 84 84 MET H H 1 7.880 0.005 . 1 . . . . . 84 MET H . 53291 6 148 . 1 . 1 84 84 MET N N 15 123.824 0.010 . 1 . . . . . 84 MET N . 53291 6 149 . 1 . 1 85 85 LEU H H 1 8.296 0.005 . 1 . . . . . 85 LEU H . 53291 6 150 . 1 . 1 85 85 LEU N N 15 119.722 0.010 . 1 . . . . . 85 LEU N . 53291 6 151 . 1 . 1 86 86 LYS H H 1 7.806 0.005 . 1 . . . . . 86 LYS H . 53291 6 152 . 1 . 1 86 86 LYS N N 15 120.342 0.010 . 1 . . . . . 86 LYS N . 53291 6 153 . 1 . 1 87 87 ARG H H 1 7.651 0.005 . 1 . . . . . 87 ARG H . 53291 6 154 . 1 . 1 87 87 ARG N N 15 120.755 0.010 . 1 . . . . . 87 ARG N . 53291 6 155 . 1 . 1 88 88 LEU H H 1 8.314 0.005 . 1 . . . . . 88 LEU H . 53291 6 156 . 1 . 1 88 88 LEU N N 15 121.353 0.010 . 1 . . . . . 88 LEU N . 53291 6 157 . 1 . 1 89 89 LYS H H 1 7.932 0.005 . 1 . . . . . 89 LYS H . 53291 6 158 . 1 . 1 89 89 LYS N N 15 119.396 0.010 . 1 . . . . . 89 LYS N . 53291 6 159 . 1 . 1 90 90 ARG H H 1 7.606 0.005 . 1 . . . . . 90 ARG H . 53291 6 160 . 1 . 1 90 90 ARG N N 15 119.953 0.010 . 1 . . . . . 90 ARG N . 53291 6 161 . 1 . 1 91 91 MET H H 1 8.065 0.005 . 1 . . . . . 91 MET H . 53291 6 162 . 1 . 1 91 91 MET N N 15 119.995 0.010 . 1 . . . . . 91 MET N . 53291 6 163 . 1 . 1 92 92 ARG H H 1 8.025 0.005 . 1 . . . . . 92 ARG H . 53291 6 164 . 1 . 1 92 92 ARG N N 15 120.355 0.010 . 1 . . . . . 92 ARG N . 53291 6 165 . 1 . 1 93 93 ARG H H 1 7.924 0.005 . 1 . . . . . 93 ARG H . 53291 6 166 . 1 . 1 93 93 ARG N N 15 121.560 0.010 . 1 . . . . . 93 ARG N . 53291 6 167 . 1 . 1 94 94 GLU H H 1 8.209 0.005 . 1 . . . . . 94 GLU H . 53291 6 168 . 1 . 1 94 94 GLU N N 15 121.343 0.010 . 1 . . . . . 94 GLU N . 53291 6 169 . 1 . 1 95 95 GLU H H 1 8.126 0.005 . 1 . . . . . 95 GLU H . 53291 6 170 . 1 . 1 95 95 GLU N N 15 122.506 0.010 . 1 . . . . . 95 GLU N . 53291 6 171 . 1 . 1 96 96 LYS H H 1 8.102 0.005 . 1 . . . . . 96 LYS H . 53291 6 172 . 1 . 1 96 96 LYS N N 15 122.232 0.010 . 1 . . . . . 96 LYS N . 53291 6 173 . 1 . 1 97 97 LYS H H 1 8.131 0.005 . 1 . . . . . 97 LYS H . 53291 6 174 . 1 . 1 97 97 LYS N N 15 122.617 0.010 . 1 . . . . . 97 LYS N . 53291 6 175 . 1 . 1 98 98 SER H H 1 8.141 0.005 . 1 . . . . . 98 SER H . 53291 6 176 . 1 . 1 98 98 SER N N 15 117.051 0.010 . 1 . . . . . 98 SER N . 53291 6 177 . 1 . 1 99 99 ALA H H 1 8.164 0.005 . 1 . . . . . 99 ALA H . 53291 6 178 . 1 . 1 99 99 ALA N N 15 126.689 0.010 . 1 . . . . . 99 ALA N . 53291 6 179 . 1 . 1 100 100 ALA H H 1 7.977 0.005 . 1 . . . . . 100 ALA H . 53291 6 180 . 1 . 1 100 100 ALA N N 15 123.022 0.010 . 1 . . . . . 100 ALA N . 53291 6 181 . 1 . 1 101 101 PHE H H 1 7.857 0.005 . 1 . . . . . 101 PHE H . 53291 6 182 . 1 . 1 101 101 PHE N N 15 119.220 0.010 . 1 . . . . . 101 PHE N . 53291 6 183 . 1 . 1 102 102 ALA H H 1 7.952 0.005 . 1 . . . . . 102 ALA H . 53291 6 184 . 1 . 1 102 102 ALA N N 15 126.725 0.010 . 1 . . . . . 102 ALA N . 53291 6 185 . 1 . 1 103 103 LYS H H 1 7.744 0.005 . 1 . . . . . 103 LYS H . 53291 6 186 . 1 . 1 103 103 LYS N N 15 126.882 0.010 . 1 . . . . . 103 LYS N . 53291 6 stop_ save_