################################### # 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 53289 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'sMyBP-C wild-type M-domain in 50 mM NaCl' _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' . . . 53289 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 . . 53289 1 2 $software_2 . . 53289 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 8.367 0.005 . 1 . . . . . 8 GLU H . 53289 1 2 . 1 . 1 8 8 GLU N N 15 123.373 0.010 . 1 . . . . . 8 GLU N . 53289 1 3 . 1 . 1 9 9 SER H H 1 8.411 0.005 . 1 . . . . . 9 SER H . 53289 1 4 . 1 . 1 9 9 SER N N 15 117.972 0.010 . 1 . . . . . 9 SER N . 53289 1 5 . 1 . 1 10 10 THR H H 1 8.158 0.005 . 1 . . . . . 10 THR H . 53289 1 6 . 1 . 1 10 10 THR N N 15 116.368 0.010 . 1 . . . . . 10 THR N . 53289 1 7 . 1 . 1 11 11 GLY H H 1 8.344 0.005 . 1 . . . . . 11 GLY H . 53289 1 8 . 1 . 1 11 11 GLY N N 15 111.900 0.010 . 1 . . . . . 11 GLY N . 53289 1 9 . 1 . 1 12 12 THR H H 1 8.012 0.005 . 1 . . . . . 12 THR H . 53289 1 10 . 1 . 1 12 12 THR N N 15 114.284 0.010 . 1 . . . . . 12 THR N . 53289 1 11 . 1 . 1 13 13 THR H H 1 8.178 0.005 . 1 . . . . . 13 THR H . 53289 1 12 . 1 . 1 13 13 THR N N 15 119.886 0.010 . 1 . . . . . 13 THR N . 53289 1 13 . 1 . 1 15 15 ASN H H 1 8.425 0.005 . 1 . . . . . 15 ASN H . 53289 1 14 . 1 . 1 15 15 ASN N N 15 119.974 0.010 . 1 . . . . . 15 ASN N . 53289 1 15 . 1 . 1 16 16 ILE H H 1 7.954 0.005 . 1 . . . . . 16 ILE H . 53289 1 16 . 1 . 1 16 16 ILE N N 15 121.504 0.010 . 1 . . . . . 16 ILE N . 53289 1 17 . 1 . 1 17 17 ASP H H 1 8.311 0.005 . 1 . . . . . 17 ASP H . 53289 1 18 . 1 . 1 17 17 ASP N N 15 125.297 0.010 . 1 . . . . . 17 ASP N . 53289 1 19 . 1 . 1 18 18 ILE H H 1 8.064 0.005 . 1 . . . . . 18 ILE H . 53289 1 20 . 1 . 1 18 18 ILE N N 15 122.846 0.010 . 1 . . . . . 18 ILE N . 53289 1 21 . 1 . 1 19 19 ARG H H 1 8.257 0.005 . 1 . . . . . 19 ARG H . 53289 1 22 . 1 . 1 19 19 ARG N N 15 123.865 0.010 . 1 . . . . . 19 ARG N . 53289 1 23 . 1 . 1 20 20 SER H H 1 8.044 0.005 . 1 . . . . . 20 SER H . 53289 1 24 . 1 . 1 20 20 SER N N 15 116.638 0.010 . 1 . . . . . 20 SER N . 53289 1 25 . 1 . 1 21 21 ALA H H 1 8.070 0.005 . 1 . . . . . 21 ALA H . 53289 1 26 . 1 . 1 21 21 ALA N N 15 126.112 0.010 . 1 . . . . . 21 ALA N . 53289 1 27 . 1 . 1 22 22 PHE H H 1 7.923 0.005 . 1 . . . . . 22 PHE H . 53289 1 28 . 1 . 1 22 22 PHE N N 15 119.422 0.010 . 1 . . . . . 22 PHE N . 53289 1 29 . 1 . 1 23 23 LYS H H 1 7.990 0.005 . 1 . . . . . 23 LYS H . 53289 1 30 . 1 . 1 23 23 LYS N N 15 123.918 0.010 . 1 . . . . . 23 LYS N . 53289 1 31 . 1 . 1 24 24 ARG H H 1 8.314 0.005 . 1 . . . . . 24 ARG H . 53289 1 32 . 1 . 1 24 24 ARG N N 15 123.736 0.010 . 1 . . . . . 24 ARG N . 53289 1 33 . 1 . 1 25 25 SER H H 1 8.359 0.005 . 1 . . . . . 25 SER H . 53289 1 34 . 1 . 1 25 25 SER N N 15 118.125 0.010 . 1 . . . . . 25 SER N . 53289 1 35 . 1 . 1 26 26 GLY H H 1 8.410 0.005 . 1 . . . . . 26 GLY H . 53289 1 36 . 1 . 1 26 26 GLY N N 15 111.960 0.010 . 1 . . . . . 26 GLY N . 53289 1 37 . 1 . 1 27 27 GLU H H 1 8.206 0.005 . 1 . . . . . 27 GLU H . 53289 1 38 . 1 . 1 27 27 GLU N N 15 121.332 0.010 . 1 . . . . . 27 GLU N . 53289 1 39 . 1 . 1 28 28 GLY H H 1 8.519 0.005 . 1 . . . . . 28 GLY H . 53289 1 40 . 1 . 1 28 28 GLY N N 15 111.256 0.010 . 1 . . . . . 28 GLY N . 53289 1 41 . 1 . 1 29 29 GLN H H 1 8.150 0.005 . 1 . . . . . 29 GLN H . 53289 1 42 . 1 . 1 29 29 GLN N N 15 120.458 0.010 . 1 . . . . . 29 GLN N . 53289 1 43 . 1 . 1 30 30 GLU H H 1 8.565 0.005 . 1 . . . . . 30 GLU H . 53289 1 44 . 1 . 1 30 30 GLU N N 15 122.891 0.010 . 1 . . . . . 30 GLU N . 53289 1 45 . 1 . 1 31 31 ASP H H 1 8.315 0.005 . 1 . . . . . 31 ASP H . 53289 1 46 . 1 . 1 31 31 ASP N N 15 122.203 0.010 . 1 . . . . . 31 ASP N . 53289 1 47 . 1 . 1 32 32 ALA H H 1 8.218 0.005 . 1 . . . . . 32 ALA H . 53289 1 48 . 1 . 1 32 32 ALA N N 15 125.740 0.010 . 1 . . . . . 32 ALA N . 53289 1 49 . 1 . 1 33 33 GLY H H 1 8.328 0.005 . 1 . . . . . 33 GLY H . 53289 1 50 . 1 . 1 33 33 GLY N N 15 108.576 0.010 . 1 . . . . . 33 GLY N . 53289 1 51 . 1 . 1 34 34 GLU H H 1 8.172 0.005 . 1 . . . . . 34 GLU H . 53289 1 52 . 1 . 1 34 34 GLU N N 15 121.183 0.010 . 1 . . . . . 34 GLU N . 53289 1 53 . 1 . 1 35 35 LEU H H 1 8.113 0.005 . 1 . . . . . 35 LEU H . 53289 1 54 . 1 . 1 35 35 LEU N N 15 123.257 0.010 . 1 . . . . . 35 LEU N . 53289 1 55 . 1 . 1 36 36 ASP H H 1 8.110 0.005 . 1 . . . . . 36 ASP H . 53289 1 56 . 1 . 1 36 36 ASP N N 15 121.557 0.010 . 1 . . . . . 36 ASP N . 53289 1 57 . 1 . 1 37 37 PHE H H 1 8.272 0.005 . 1 . . . . . 37 PHE H . 53289 1 58 . 1 . 1 37 37 PHE N N 15 122.748 0.010 . 1 . . . . . 37 PHE N . 53289 1 59 . 1 . 1 38 38 SER H H 1 8.310 0.005 . 1 . . . . . 38 SER H . 53289 1 60 . 1 . 1 38 38 SER N N 15 117.414 0.010 . 1 . . . . . 38 SER N . 53289 1 61 . 1 . 1 39 39 GLY H H 1 8.116 0.005 . 1 . . . . . 39 GLY H . 53289 1 62 . 1 . 1 39 39 GLY N N 15 111.325 0.010 . 1 . . . . . 39 GLY N . 53289 1 63 . 1 . 1 40 40 LEU H H 1 7.835 0.005 . 1 . . . . . 40 LEU H . 53289 1 64 . 1 . 1 40 40 LEU N N 15 122.134 0.010 . 1 . . . . . 40 LEU N . 53289 1 65 . 1 . 1 41 41 LEU H H 1 7.959 0.005 . 1 . . . . . 41 LEU H . 53289 1 66 . 1 . 1 41 41 LEU N N 15 121.553 0.010 . 1 . . . . . 41 LEU N . 53289 1 67 . 1 . 1 42 42 LYS H H 1 7.995 0.005 . 1 . . . . . 42 LYS H . 53289 1 68 . 1 . 1 42 42 LYS N N 15 122.258 0.010 . 1 . . . . . 42 LYS N . 53289 1 69 . 1 . 1 43 43 ARG H H 1 8.136 0.005 . 1 . . . . . 43 ARG H . 53289 1 70 . 1 . 1 43 43 ARG N N 15 122.694 0.010 . 1 . . . . . 43 ARG N . 53289 1 71 . 1 . 1 44 44 ARG H H 1 8.249 0.005 . 1 . . . . . 44 ARG H . 53289 1 72 . 1 . 1 44 44 ARG N N 15 123.174 0.010 . 1 . . . . . 44 ARG N . 53289 1 73 . 1 . 1 45 45 GLU H H 1 8.368 0.005 . 1 . . . . . 45 GLU H . 53289 1 74 . 1 . 1 45 45 GLU N N 15 123.204 0.010 . 1 . . . . . 45 GLU N . 53289 1 75 . 1 . 1 46 46 VAL H H 1 8.085 0.005 . 1 . . . . . 46 VAL H . 53289 1 76 . 1 . 1 46 46 VAL N N 15 122.457 0.010 . 1 . . . . . 46 VAL N . 53289 1 77 . 1 . 1 47 47 LYS H H 1 8.336 0.005 . 1 . . . . . 47 LYS H . 53289 1 78 . 1 . 1 47 47 LYS N N 15 126.074 0.010 . 1 . . . . . 47 LYS N . 53289 1 79 . 1 . 1 48 48 GLN H H 1 8.384 0.005 . 1 . . . . . 48 GLN H . 53289 1 80 . 1 . 1 48 48 GLN N N 15 122.848 0.010 . 1 . . . . . 48 GLN N . 53289 1 81 . 1 . 1 49 49 GLN H H 1 8.375 0.005 . 1 . . . . . 49 GLN H . 53289 1 82 . 1 . 1 49 49 GLN N N 15 122.170 0.010 . 1 . . . . . 49 GLN N . 53289 1 83 . 1 . 1 50 50 GLU H H 1 8.406 0.005 . 1 . . . . . 50 GLU H . 53289 1 84 . 1 . 1 50 50 GLU N N 15 122.682 0.010 . 1 . . . . . 50 GLU N . 53289 1 85 . 1 . 1 51 51 GLU H H 1 8.320 0.005 . 1 . . . . . 51 GLU H . 53289 1 86 . 1 . 1 51 51 GLU N N 15 122.280 0.010 . 1 . . . . . 51 GLU N . 53289 1 87 . 1 . 1 52 52 GLU H H 1 8.327 0.005 . 1 . . . . . 52 GLU H . 53289 1 88 . 1 . 1 52 52 GLU N N 15 124.186 0.010 . 1 . . . . . 52 GLU N . 53289 1 89 . 1 . 1 54 54 GLN H H 1 8.500 0.005 . 1 . . . . . 54 GLN H . 53289 1 90 . 1 . 1 54 54 GLN N N 15 121.948 0.010 . 1 . . . . . 54 GLN N . 53289 1 91 . 1 . 1 55 55 VAL H H 1 8.060 0.005 . 1 . . . . . 55 VAL H . 53289 1 92 . 1 . 1 55 55 VAL N N 15 122.082 0.010 . 1 . . . . . 55 VAL N . 53289 1 93 . 1 . 1 56 56 ASP H H 1 8.354 0.005 . 1 . . . . . 56 ASP H . 53289 1 94 . 1 . 1 56 56 ASP N N 15 125.507 0.010 . 1 . . . . . 56 ASP N . 53289 1 95 . 1 . 1 57 57 VAL H H 1 8.120 0.005 . 1 . . . . . 57 VAL H . 53289 1 96 . 1 . 1 57 57 VAL N N 15 124.723 0.010 . 1 . . . . . 57 VAL N . 53289 1 97 . 1 . 1 58 58 TRP H H 1 7.582 0.005 . 1 . . . . . 58 TRP H . 53289 1 98 . 1 . 1 58 58 TRP N N 15 121.972 0.010 . 1 . . . . . 58 TRP N . 53289 1 99 . 1 . 1 59 59 GLU H H 1 7.527 0.005 . 1 . . . . . 59 GLU H . 53289 1 100 . 1 . 1 59 59 GLU N N 15 119.349 0.010 . 1 . . . . . 59 GLU N . 53289 1 101 . 1 . 1 60 60 LEU H H 1 7.377 0.005 . 1 . . . . . 60 LEU H . 53289 1 102 . 1 . 1 60 60 LEU N N 15 119.148 0.010 . 1 . . . . . 60 LEU N . 53289 1 103 . 1 . 1 61 61 LEU H H 1 8.008 0.005 . 1 . . . . . 61 LEU H . 53289 1 104 . 1 . 1 61 61 LEU N N 15 118.821 0.010 . 1 . . . . . 61 LEU N . 53289 1 105 . 1 . 1 62 62 LYS H H 1 7.919 0.005 . 1 . . . . . 62 LYS H . 53289 1 106 . 1 . 1 62 62 LYS N N 15 119.347 0.010 . 1 . . . . . 62 LYS N . 53289 1 107 . 1 . 1 63 63 ASN H H 1 7.285 0.005 . 1 . . . . . 63 ASN H . 53289 1 108 . 1 . 1 63 63 ASN N N 15 114.686 0.010 . 1 . . . . . 63 ASN N . 53289 1 109 . 1 . 1 64 64 ALA H H 1 7.378 0.005 . 1 . . . . . 64 ALA H . 53289 1 110 . 1 . 1 64 64 ALA N N 15 124.561 0.010 . 1 . . . . . 64 ALA N . 53289 1 111 . 1 . 1 65 65 LYS H H 1 8.586 0.005 . 1 . . . . . 65 LYS H . 53289 1 112 . 1 . 1 65 65 LYS N N 15 122.422 0.010 . 1 . . . . . 65 LYS N . 53289 1 113 . 1 . 1 67 67 SER H H 1 7.612 0.005 . 1 . . . . . 67 SER H . 53289 1 114 . 1 . 1 67 67 SER N N 15 111.336 0.010 . 1 . . . . . 67 SER N . 53289 1 115 . 1 . 1 68 68 GLU H H 1 8.233 0.005 . 1 . . . . . 68 GLU H . 53289 1 116 . 1 . 1 68 68 GLU N N 15 121.319 0.010 . 1 . . . . . 68 GLU N . 53289 1 117 . 1 . 1 69 69 TYR H H 1 7.291 0.005 . 1 . . . . . 69 TYR H . 53289 1 118 . 1 . 1 69 69 TYR N N 15 118.920 0.010 . 1 . . . . . 69 TYR N . 53289 1 119 . 1 . 1 70 70 GLU H H 1 8.666 0.005 . 1 . . . . . 70 GLU H . 53289 1 120 . 1 . 1 70 70 GLU N N 15 117.915 0.010 . 1 . . . . . 70 GLU N . 53289 1 121 . 1 . 1 71 71 LYS H H 1 7.863 0.005 . 1 . . . . . 71 LYS H . 53289 1 122 . 1 . 1 71 71 LYS N N 15 121.724 0.010 . 1 . . . . . 71 LYS N . 53289 1 123 . 1 . 1 72 72 ILE H H 1 7.994 0.005 . 1 . . . . . 72 ILE H . 53289 1 124 . 1 . 1 72 72 ILE N N 15 122.135 0.010 . 1 . . . . . 72 ILE N . 53289 1 125 . 1 . 1 73 73 ALA H H 1 8.466 0.005 . 1 . . . . . 73 ALA H . 53289 1 126 . 1 . 1 73 73 ALA N N 15 121.640 0.010 . 1 . . . . . 73 ALA N . 53289 1 127 . 1 . 1 74 74 PHE H H 1 8.117 0.005 . 1 . . . . . 74 PHE H . 53289 1 128 . 1 . 1 74 74 PHE N N 15 117.895 0.010 . 1 . . . . . 74 PHE N . 53289 1 129 . 1 . 1 75 75 GLN H H 1 8.148 0.005 . 1 . . . . . 75 GLN H . 53289 1 130 . 1 . 1 75 75 GLN N N 15 120.825 0.010 . 1 . . . . . 75 GLN N . 53289 1 131 . 1 . 1 76 76 TYR H H 1 7.694 0.005 . 1 . . . . . 76 TYR H . 53289 1 132 . 1 . 1 76 76 TYR N N 15 114.976 0.010 . 1 . . . . . 76 TYR N . 53289 1 133 . 1 . 1 77 77 GLY H H 1 7.520 0.005 . 1 . . . . . 77 GLY H . 53289 1 134 . 1 . 1 77 77 GLY N N 15 110.038 0.010 . 1 . . . . . 77 GLY N . 53289 1 135 . 1 . 1 78 78 ILE H H 1 8.246 0.005 . 1 . . . . . 78 ILE H . 53289 1 136 . 1 . 1 78 78 ILE N N 15 121.878 0.010 . 1 . . . . . 78 ILE N . 53289 1 137 . 1 . 1 79 79 THR H H 1 8.209 0.005 . 1 . . . . . 79 THR H . 53289 1 138 . 1 . 1 79 79 THR N N 15 119.307 0.010 . 1 . . . . . 79 THR N . 53289 1 139 . 1 . 1 80 80 ASP H H 1 7.943 0.005 . 1 . . . . . 80 ASP H . 53289 1 140 . 1 . 1 80 80 ASP N N 15 122.894 0.010 . 1 . . . . . 80 ASP N . 53289 1 141 . 1 . 1 81 81 LEU H H 1 8.411 0.005 . 1 . . . . . 81 LEU H . 53289 1 142 . 1 . 1 81 81 LEU N N 15 126.409 0.010 . 1 . . . . . 81 LEU N . 53289 1 143 . 1 . 1 82 82 ARG H H 1 8.428 0.005 . 1 . . . . . 82 ARG H . 53289 1 144 . 1 . 1 82 82 ARG N N 15 118.774 0.010 . 1 . . . . . 82 ARG N . 53289 1 145 . 1 . 1 83 83 GLY H H 1 8.245 0.005 . 1 . . . . . 83 GLY H . 53289 1 146 . 1 . 1 83 83 GLY N N 15 109.284 0.010 . 1 . . . . . 83 GLY N . 53289 1 147 . 1 . 1 84 84 MET H H 1 7.897 0.005 . 1 . . . . . 84 MET H . 53289 1 148 . 1 . 1 84 84 MET N N 15 123.678 0.010 . 1 . . . . . 84 MET N . 53289 1 149 . 1 . 1 85 85 LEU H H 1 8.266 0.005 . 1 . . . . . 85 LEU H . 53289 1 150 . 1 . 1 85 85 LEU N N 15 119.561 0.010 . 1 . . . . . 85 LEU N . 53289 1 151 . 1 . 1 86 86 LYS H H 1 7.729 0.005 . 1 . . . . . 86 LYS H . 53289 1 152 . 1 . 1 86 86 LYS N N 15 119.977 0.010 . 1 . . . . . 86 LYS N . 53289 1 153 . 1 . 1 87 87 ARG H H 1 7.617 0.005 . 1 . . . . . 87 ARG H . 53289 1 154 . 1 . 1 87 87 ARG N N 15 120.333 0.010 . 1 . . . . . 87 ARG N . 53289 1 155 . 1 . 1 88 88 LEU H H 1 8.205 0.005 . 1 . . . . . 88 LEU H . 53289 1 156 . 1 . 1 88 88 LEU N N 15 121.239 0.010 . 1 . . . . . 88 LEU N . 53289 1 157 . 1 . 1 89 89 LYS H H 1 7.893 0.005 . 1 . . . . . 89 LYS H . 53289 1 158 . 1 . 1 89 89 LYS N N 15 119.351 0.010 . 1 . . . . . 89 LYS N . 53289 1 159 . 1 . 1 90 90 ARG H H 1 7.595 0.005 . 1 . . . . . 90 ARG H . 53289 1 160 . 1 . 1 90 90 ARG N N 15 119.731 0.010 . 1 . . . . . 90 ARG N . 53289 1 161 . 1 . 1 91 91 MET H H 1 7.974 0.005 . 1 . . . . . 91 MET H . 53289 1 162 . 1 . 1 91 91 MET N N 15 120.163 0.010 . 1 . . . . . 91 MET N . 53289 1 163 . 1 . 1 92 92 ARG H H 1 8.016 0.005 . 1 . . . . . 92 ARG H . 53289 1 164 . 1 . 1 92 92 ARG N N 15 121.024 0.010 . 1 . . . . . 92 ARG N . 53289 1 165 . 1 . 1 93 93 ARG H H 1 8.050 0.005 . 1 . . . . . 93 ARG H . 53289 1 166 . 1 . 1 93 93 ARG N N 15 122.151 0.010 . 1 . . . . . 93 ARG N . 53289 1 167 . 1 . 1 94 94 GLU H H 1 8.287 0.005 . 1 . . . . . 94 GLU H . 53289 1 168 . 1 . 1 94 94 GLU N N 15 122.020 0.010 . 1 . . . . . 94 GLU N . 53289 1 169 . 1 . 1 95 95 GLU H H 1 8.209 0.005 . 1 . . . . . 95 GLU H . 53289 1 170 . 1 . 1 95 95 GLU N N 15 123.082 0.010 . 1 . . . . . 95 GLU N . 53289 1 171 . 1 . 1 96 96 LYS H H 1 8.212 0.005 . 1 . . . . . 96 LYS H . 53289 1 172 . 1 . 1 96 96 LYS N N 15 123.163 0.010 . 1 . . . . . 96 LYS N . 53289 1 173 . 1 . 1 97 97 LYS H H 1 8.243 0.005 . 1 . . . . . 97 LYS H . 53289 1 174 . 1 . 1 97 97 LYS N N 15 123.403 0.010 . 1 . . . . . 97 LYS N . 53289 1 175 . 1 . 1 98 98 SER H H 1 8.215 0.005 . 1 . . . . . 98 SER H . 53289 1 176 . 1 . 1 98 98 SER N N 15 117.669 0.010 . 1 . . . . . 98 SER N . 53289 1 177 . 1 . 1 99 99 ALA H H 1 8.245 0.005 . 1 . . . . . 99 ALA H . 53289 1 178 . 1 . 1 99 99 ALA N N 15 126.984 0.010 . 1 . . . . . 99 ALA N . 53289 1 179 . 1 . 1 100 100 ALA H H 1 8.033 0.005 . 1 . . . . . 100 ALA H . 53289 1 180 . 1 . 1 100 100 ALA N N 15 123.361 0.010 . 1 . . . . . 100 ALA N . 53289 1 181 . 1 . 1 101 101 PHE H H 1 7.897 0.005 . 1 . . . . . 101 PHE H . 53289 1 182 . 1 . 1 101 101 PHE N N 15 119.428 0.010 . 1 . . . . . 101 PHE N . 53289 1 183 . 1 . 1 102 102 ALA H H 1 7.980 0.005 . 1 . . . . . 102 ALA H . 53289 1 184 . 1 . 1 102 102 ALA N N 15 126.867 0.010 . 1 . . . . . 102 ALA N . 53289 1 185 . 1 . 1 103 103 LYS H H 1 7.740 0.005 . 1 . . . . . 103 LYS H . 53289 1 186 . 1 . 1 103 103 LYS N N 15 126.841 0.010 . 1 . . . . . 103 LYS N . 53289 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 53289 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'sMyBP-C wild-type M-domain in 75 mM NaCl' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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' . . . 53289 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 . . 53289 2 2 $software_2 . . 53289 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 8.370 0.005 . 1 . . . . . 8 GLU H . 53289 2 2 . 1 . 1 8 8 GLU N N 15 123.402 0.010 . 1 . . . . . 8 GLU N . 53289 2 3 . 1 . 1 9 9 SER H H 1 8.411 0.005 . 1 . . . . . 9 SER H . 53289 2 4 . 1 . 1 9 9 SER N N 15 117.977 0.010 . 1 . . . . . 9 SER N . 53289 2 5 . 1 . 1 10 10 THR H H 1 8.161 0.005 . 1 . . . . . 10 THR H . 53289 2 6 . 1 . 1 10 10 THR N N 15 116.366 0.010 . 1 . . . . . 10 THR N . 53289 2 7 . 1 . 1 11 11 GLY H H 1 8.344 0.005 . 1 . . . . . 11 GLY H . 53289 2 8 . 1 . 1 11 11 GLY N N 15 111.904 0.010 . 1 . . . . . 11 GLY N . 53289 2 9 . 1 . 1 12 12 THR H H 1 8.013 0.005 . 1 . . . . . 12 THR H . 53289 2 10 . 1 . 1 12 12 THR N N 15 114.289 0.010 . 1 . . . . . 12 THR N . 53289 2 11 . 1 . 1 13 13 THR H H 1 8.180 0.005 . 1 . . . . . 13 THR H . 53289 2 12 . 1 . 1 13 13 THR N N 15 119.892 0.010 . 1 . . . . . 13 THR N . 53289 2 13 . 1 . 1 15 15 ASN H H 1 8.426 0.005 . 1 . . . . . 15 ASN H . 53289 2 14 . 1 . 1 15 15 ASN N N 15 119.988 0.010 . 1 . . . . . 15 ASN N . 53289 2 15 . 1 . 1 16 16 ILE H H 1 7.955 0.005 . 1 . . . . . 16 ILE H . 53289 2 16 . 1 . 1 16 16 ILE N N 15 121.506 0.010 . 1 . . . . . 16 ILE N . 53289 2 17 . 1 . 1 17 17 ASP H H 1 8.312 0.005 . 1 . . . . . 17 ASP H . 53289 2 18 . 1 . 1 17 17 ASP N N 15 125.302 0.010 . 1 . . . . . 17 ASP N . 53289 2 19 . 1 . 1 18 18 ILE H H 1 8.063 0.005 . 1 . . . . . 18 ILE H . 53289 2 20 . 1 . 1 18 18 ILE N N 15 122.838 0.010 . 1 . . . . . 18 ILE N . 53289 2 21 . 1 . 1 19 19 ARG H H 1 8.259 0.005 . 1 . . . . . 19 ARG H . 53289 2 22 . 1 . 1 19 19 ARG N N 15 123.882 0.010 . 1 . . . . . 19 ARG N . 53289 2 23 . 1 . 1 20 20 SER H H 1 8.047 0.005 . 1 . . . . . 20 SER H . 53289 2 24 . 1 . 1 20 20 SER N N 15 116.653 0.010 . 1 . . . . . 20 SER N . 53289 2 25 . 1 . 1 21 21 ALA H H 1 8.072 0.005 . 1 . . . . . 21 ALA H . 53289 2 26 . 1 . 1 21 21 ALA N N 15 126.119 0.010 . 1 . . . . . 21 ALA N . 53289 2 27 . 1 . 1 22 22 PHE H H 1 7.924 0.005 . 1 . . . . . 22 PHE H . 53289 2 28 . 1 . 1 22 22 PHE N N 15 119.424 0.010 . 1 . . . . . 22 PHE N . 53289 2 29 . 1 . 1 23 23 LYS H H 1 7.992 0.005 . 1 . . . . . 23 LYS H . 53289 2 30 . 1 . 1 23 23 LYS N N 15 123.922 0.010 . 1 . . . . . 23 LYS N . 53289 2 31 . 1 . 1 24 24 ARG H H 1 8.313 0.005 . 1 . . . . . 24 ARG H . 53289 2 32 . 1 . 1 24 24 ARG N N 15 123.736 0.010 . 1 . . . . . 24 ARG N . 53289 2 33 . 1 . 1 25 25 SER H H 1 8.360 0.005 . 1 . . . . . 25 SER H . 53289 2 34 . 1 . 1 25 25 SER N N 15 118.118 0.010 . 1 . . . . . 25 SER N . 53289 2 35 . 1 . 1 26 26 GLY H H 1 8.410 0.005 . 1 . . . . . 26 GLY H . 53289 2 36 . 1 . 1 26 26 GLY N N 15 111.961 0.010 . 1 . . . . . 26 GLY N . 53289 2 37 . 1 . 1 27 27 GLU H H 1 8.207 0.005 . 1 . . . . . 27 GLU H . 53289 2 38 . 1 . 1 27 27 GLU N N 15 121.320 0.010 . 1 . . . . . 27 GLU N . 53289 2 39 . 1 . 1 28 28 GLY H H 1 8.521 0.005 . 1 . . . . . 28 GLY H . 53289 2 40 . 1 . 1 28 28 GLY N N 15 111.260 0.010 . 1 . . . . . 28 GLY N . 53289 2 41 . 1 . 1 29 29 GLN H H 1 8.151 0.005 . 1 . . . . . 29 GLN H . 53289 2 42 . 1 . 1 29 29 GLN N N 15 120.463 0.010 . 1 . . . . . 29 GLN N . 53289 2 43 . 1 . 1 30 30 GLU H H 1 8.566 0.005 . 1 . . . . . 30 GLU H . 53289 2 44 . 1 . 1 30 30 GLU N N 15 122.901 0.010 . 1 . . . . . 30 GLU N . 53289 2 45 . 1 . 1 31 31 ASP H H 1 8.316 0.005 . 1 . . . . . 31 ASP H . 53289 2 46 . 1 . 1 31 31 ASP N N 15 122.210 0.010 . 1 . . . . . 31 ASP N . 53289 2 47 . 1 . 1 32 32 ALA H H 1 8.220 0.005 . 1 . . . . . 32 ALA H . 53289 2 48 . 1 . 1 32 32 ALA N N 15 125.739 0.010 . 1 . . . . . 32 ALA N . 53289 2 49 . 1 . 1 33 33 GLY H H 1 8.329 0.005 . 1 . . . . . 33 GLY H . 53289 2 50 . 1 . 1 33 33 GLY N N 15 108.585 0.010 . 1 . . . . . 33 GLY N . 53289 2 51 . 1 . 1 34 34 GLU H H 1 8.174 0.005 . 1 . . . . . 34 GLU H . 53289 2 52 . 1 . 1 34 34 GLU N N 15 121.193 0.010 . 1 . . . . . 34 GLU N . 53289 2 53 . 1 . 1 35 35 LEU H H 1 8.114 0.005 . 1 . . . . . 35 LEU H . 53289 2 54 . 1 . 1 35 35 LEU N N 15 123.278 0.010 . 1 . . . . . 35 LEU N . 53289 2 55 . 1 . 1 36 36 ASP H H 1 8.114 0.005 . 1 . . . . . 36 ASP H . 53289 2 56 . 1 . 1 36 36 ASP N N 15 121.566 0.010 . 1 . . . . . 36 ASP N . 53289 2 57 . 1 . 1 37 37 PHE H H 1 8.272 0.005 . 1 . . . . . 37 PHE H . 53289 2 58 . 1 . 1 37 37 PHE N N 15 122.750 0.010 . 1 . . . . . 37 PHE N . 53289 2 59 . 1 . 1 38 38 SER H H 1 8.310 0.005 . 1 . . . . . 38 SER H . 53289 2 60 . 1 . 1 38 38 SER N N 15 117.430 0.010 . 1 . . . . . 38 SER N . 53289 2 61 . 1 . 1 39 39 GLY H H 1 8.113 0.005 . 1 . . . . . 39 GLY H . 53289 2 62 . 1 . 1 39 39 GLY N N 15 111.333 0.010 . 1 . . . . . 39 GLY N . 53289 2 63 . 1 . 1 40 40 LEU H H 1 7.839 0.005 . 1 . . . . . 40 LEU H . 53289 2 64 . 1 . 1 40 40 LEU N N 15 122.144 0.010 . 1 . . . . . 40 LEU N . 53289 2 65 . 1 . 1 41 41 LEU H H 1 7.965 0.005 . 1 . . . . . 41 LEU H . 53289 2 66 . 1 . 1 41 41 LEU N N 15 121.617 0.010 . 1 . . . . . 41 LEU N . 53289 2 67 . 1 . 1 42 42 LYS H H 1 7.997 0.005 . 1 . . . . . 42 LYS H . 53289 2 68 . 1 . 1 42 42 LYS N N 15 122.277 0.010 . 1 . . . . . 42 LYS N . 53289 2 69 . 1 . 1 43 43 ARG H H 1 8.136 0.005 . 1 . . . . . 43 ARG H . 53289 2 70 . 1 . 1 43 43 ARG N N 15 122.685 0.010 . 1 . . . . . 43 ARG N . 53289 2 71 . 1 . 1 44 44 ARG H H 1 8.248 0.005 . 1 . . . . . 44 ARG H . 53289 2 72 . 1 . 1 44 44 ARG N N 15 123.170 0.010 . 1 . . . . . 44 ARG N . 53289 2 73 . 1 . 1 45 45 GLU H H 1 8.368 0.005 . 1 . . . . . 45 GLU H . 53289 2 74 . 1 . 1 45 45 GLU N N 15 123.219 0.010 . 1 . . . . . 45 GLU N . 53289 2 75 . 1 . 1 46 46 VAL H H 1 8.088 0.005 . 1 . . . . . 46 VAL H . 53289 2 76 . 1 . 1 46 46 VAL N N 15 122.482 0.010 . 1 . . . . . 46 VAL N . 53289 2 77 . 1 . 1 47 47 LYS H H 1 8.337 0.005 . 1 . . . . . 47 LYS H . 53289 2 78 . 1 . 1 47 47 LYS N N 15 126.095 0.010 . 1 . . . . . 47 LYS N . 53289 2 79 . 1 . 1 48 48 GLN H H 1 8.387 0.005 . 1 . . . . . 48 GLN H . 53289 2 80 . 1 . 1 48 48 GLN N N 15 122.879 0.010 . 1 . . . . . 48 GLN N . 53289 2 81 . 1 . 1 49 49 GLN H H 1 8.377 0.005 . 1 . . . . . 49 GLN H . 53289 2 82 . 1 . 1 49 49 GLN N N 15 122.206 0.010 . 1 . . . . . 49 GLN N . 53289 2 83 . 1 . 1 50 50 GLU H H 1 8.409 0.005 . 1 . . . . . 50 GLU H . 53289 2 84 . 1 . 1 50 50 GLU N N 15 122.720 0.010 . 1 . . . . . 50 GLU N . 53289 2 85 . 1 . 1 51 51 GLU H H 1 8.321 0.005 . 1 . . . . . 51 GLU H . 53289 2 86 . 1 . 1 51 51 GLU N N 15 122.293 0.010 . 1 . . . . . 51 GLU N . 53289 2 87 . 1 . 1 52 52 GLU H H 1 8.330 0.005 . 1 . . . . . 52 GLU H . 53289 2 88 . 1 . 1 52 52 GLU N N 15 124.206 0.010 . 1 . . . . . 52 GLU N . 53289 2 89 . 1 . 1 54 54 GLN H H 1 8.502 0.005 . 1 . . . . . 54 GLN H . 53289 2 90 . 1 . 1 54 54 GLN N N 15 121.963 0.010 . 1 . . . . . 54 GLN N . 53289 2 91 . 1 . 1 55 55 VAL H H 1 8.065 0.005 . 1 . . . . . 55 VAL H . 53289 2 92 . 1 . 1 55 55 VAL N N 15 122.131 0.010 . 1 . . . . . 55 VAL N . 53289 2 93 . 1 . 1 56 56 ASP H H 1 8.355 0.005 . 1 . . . . . 56 ASP H . 53289 2 94 . 1 . 1 56 56 ASP N N 15 125.545 0.010 . 1 . . . . . 56 ASP N . 53289 2 95 . 1 . 1 57 57 VAL H H 1 8.129 0.005 . 1 . . . . . 57 VAL H . 53289 2 96 . 1 . 1 57 57 VAL N N 15 124.762 0.010 . 1 . . . . . 57 VAL N . 53289 2 97 . 1 . 1 58 58 TRP H H 1 7.583 0.005 . 1 . . . . . 58 TRP H . 53289 2 98 . 1 . 1 58 58 TRP N N 15 122.012 0.010 . 1 . . . . . 58 TRP N . 53289 2 99 . 1 . 1 59 59 GLU H H 1 7.522 0.005 . 1 . . . . . 59 GLU H . 53289 2 100 . 1 . 1 59 59 GLU N N 15 119.375 0.010 . 1 . . . . . 59 GLU N . 53289 2 101 . 1 . 1 60 60 LEU H H 1 7.377 0.005 . 1 . . . . . 60 LEU H . 53289 2 102 . 1 . 1 60 60 LEU N N 15 119.148 0.010 . 1 . . . . . 60 LEU N . 53289 2 103 . 1 . 1 61 61 LEU H H 1 8.021 0.005 . 1 . . . . . 61 LEU H . 53289 2 104 . 1 . 1 61 61 LEU N N 15 118.848 0.010 . 1 . . . . . 61 LEU N . 53289 2 105 . 1 . 1 62 62 LYS H H 1 7.921 0.005 . 1 . . . . . 62 LYS H . 53289 2 106 . 1 . 1 62 62 LYS N N 15 119.341 0.010 . 1 . . . . . 62 LYS N . 53289 2 107 . 1 . 1 63 63 ASN H H 1 7.278 0.005 . 1 . . . . . 63 ASN H . 53289 2 108 . 1 . 1 63 63 ASN N N 15 114.669 0.010 . 1 . . . . . 63 ASN N . 53289 2 109 . 1 . 1 64 64 ALA H H 1 7.377 0.005 . 1 . . . . . 64 ALA H . 53289 2 110 . 1 . 1 64 64 ALA N N 15 124.568 0.010 . 1 . . . . . 64 ALA N . 53289 2 111 . 1 . 1 65 65 LYS H H 1 8.586 0.005 . 1 . . . . . 65 LYS H . 53289 2 112 . 1 . 1 65 65 LYS N N 15 122.409 0.010 . 1 . . . . . 65 LYS N . 53289 2 113 . 1 . 1 67 67 SER H H 1 7.611 0.005 . 1 . . . . . 67 SER H . 53289 2 114 . 1 . 1 67 67 SER N N 15 111.365 0.010 . 1 . . . . . 67 SER N . 53289 2 115 . 1 . 1 68 68 GLU H H 1 8.236 0.005 . 1 . . . . . 68 GLU H . 53289 2 116 . 1 . 1 68 68 GLU N N 15 121.306 0.010 . 1 . . . . . 68 GLU N . 53289 2 117 . 1 . 1 69 69 TYR H H 1 7.288 0.005 . 1 . . . . . 69 TYR H . 53289 2 118 . 1 . 1 69 69 TYR N N 15 118.904 0.010 . 1 . . . . . 69 TYR N . 53289 2 119 . 1 . 1 70 70 GLU H H 1 8.668 0.005 . 1 . . . . . 70 GLU H . 53289 2 120 . 1 . 1 70 70 GLU N N 15 117.905 0.010 . 1 . . . . . 70 GLU N . 53289 2 121 . 1 . 1 71 71 LYS H H 1 7.867 0.005 . 1 . . . . . 71 LYS H . 53289 2 122 . 1 . 1 71 71 LYS N N 15 121.733 0.010 . 1 . . . . . 71 LYS N . 53289 2 123 . 1 . 1 72 72 ILE H H 1 7.995 0.005 . 1 . . . . . 72 ILE H . 53289 2 124 . 1 . 1 72 72 ILE N N 15 122.126 0.010 . 1 . . . . . 72 ILE N . 53289 2 125 . 1 . 1 73 73 ALA H H 1 8.471 0.005 . 1 . . . . . 73 ALA H . 53289 2 126 . 1 . 1 73 73 ALA N N 15 121.643 0.010 . 1 . . . . . 73 ALA N . 53289 2 127 . 1 . 1 74 74 PHE H H 1 8.118 0.005 . 1 . . . . . 74 PHE H . 53289 2 128 . 1 . 1 74 74 PHE N N 15 117.861 0.010 . 1 . . . . . 74 PHE N . 53289 2 129 . 1 . 1 75 75 GLN H H 1 8.154 0.005 . 1 . . . . . 75 GLN H . 53289 2 130 . 1 . 1 75 75 GLN N N 15 120.850 0.010 . 1 . . . . . 75 GLN N . 53289 2 131 . 1 . 1 76 76 TYR H H 1 7.701 0.005 . 1 . . . . . 76 TYR H . 53289 2 132 . 1 . 1 76 76 TYR N N 15 114.926 0.010 . 1 . . . . . 76 TYR N . 53289 2 133 . 1 . 1 77 77 GLY H H 1 7.520 0.005 . 1 . . . . . 77 GLY H . 53289 2 134 . 1 . 1 77 77 GLY N N 15 110.109 0.010 . 1 . . . . . 77 GLY N . 53289 2 135 . 1 . 1 78 78 ILE H H 1 8.253 0.005 . 1 . . . . . 78 ILE H . 53289 2 136 . 1 . 1 78 78 ILE N N 15 121.874 0.010 . 1 . . . . . 78 ILE N . 53289 2 137 . 1 . 1 79 79 THR H H 1 8.212 0.005 . 1 . . . . . 79 THR H . 53289 2 138 . 1 . 1 79 79 THR N N 15 119.356 0.010 . 1 . . . . . 79 THR N . 53289 2 139 . 1 . 1 80 80 ASP H H 1 7.947 0.005 . 1 . . . . . 80 ASP H . 53289 2 140 . 1 . 1 80 80 ASP N N 15 122.946 0.010 . 1 . . . . . 80 ASP N . 53289 2 141 . 1 . 1 81 81 LEU H H 1 8.407 0.005 . 1 . . . . . 81 LEU H . 53289 2 142 . 1 . 1 81 81 LEU N N 15 126.421 0.010 . 1 . . . . . 81 LEU N . 53289 2 143 . 1 . 1 82 82 ARG H H 1 8.424 0.005 . 1 . . . . . 82 ARG H . 53289 2 144 . 1 . 1 82 82 ARG N N 15 118.803 0.010 . 1 . . . . . 82 ARG N . 53289 2 145 . 1 . 1 83 83 GLY H H 1 8.250 0.005 . 1 . . . . . 83 GLY H . 53289 2 146 . 1 . 1 83 83 GLY N N 15 109.303 0.010 . 1 . . . . . 83 GLY N . 53289 2 147 . 1 . 1 84 84 MET H H 1 7.895 0.005 . 1 . . . . . 84 MET H . 53289 2 148 . 1 . 1 84 84 MET N N 15 123.712 0.010 . 1 . . . . . 84 MET N . 53289 2 149 . 1 . 1 85 85 LEU H H 1 8.271 0.005 . 1 . . . . . 85 LEU H . 53289 2 150 . 1 . 1 85 85 LEU N N 15 119.576 0.010 . 1 . . . . . 85 LEU N . 53289 2 151 . 1 . 1 86 86 LYS H H 1 7.734 0.005 . 1 . . . . . 86 LYS H . 53289 2 152 . 1 . 1 86 86 LYS N N 15 120.040 0.010 . 1 . . . . . 86 LYS N . 53289 2 153 . 1 . 1 87 87 ARG H H 1 7.621 0.005 . 1 . . . . . 87 ARG H . 53289 2 154 . 1 . 1 87 87 ARG N N 15 120.394 0.010 . 1 . . . . . 87 ARG N . 53289 2 155 . 1 . 1 88 88 LEU H H 1 8.210 0.005 . 1 . . . . . 88 LEU H . 53289 2 156 . 1 . 1 88 88 LEU N N 15 121.234 0.010 . 1 . . . . . 88 LEU N . 53289 2 157 . 1 . 1 89 89 LYS H H 1 7.897 0.005 . 1 . . . . . 89 LYS H . 53289 2 158 . 1 . 1 89 89 LYS N N 15 119.358 0.010 . 1 . . . . . 89 LYS N . 53289 2 159 . 1 . 1 90 90 ARG H H 1 7.592 0.005 . 1 . . . . . 90 ARG H . 53289 2 160 . 1 . 1 90 90 ARG N N 15 119.723 0.010 . 1 . . . . . 90 ARG N . 53289 2 161 . 1 . 1 91 91 MET H H 1 7.982 0.005 . 1 . . . . . 91 MET H . 53289 2 162 . 1 . 1 91 91 MET N N 15 120.118 0.010 . 1 . . . . . 91 MET N . 53289 2 163 . 1 . 1 92 92 ARG H H 1 8.015 0.005 . 1 . . . . . 92 ARG H . 53289 2 164 . 1 . 1 92 92 ARG N N 15 120.931 0.010 . 1 . . . . . 92 ARG N . 53289 2 165 . 1 . 1 93 93 ARG H H 1 8.038 0.005 . 1 . . . . . 93 ARG H . 53289 2 166 . 1 . 1 93 93 ARG N N 15 122.195 0.010 . 1 . . . . . 93 ARG N . 53289 2 167 . 1 . 1 94 94 GLU H H 1 8.277 0.005 . 1 . . . . . 94 GLU H . 53289 2 168 . 1 . 1 94 94 GLU N N 15 121.924 0.010 . 1 . . . . . 94 GLU N . 53289 2 169 . 1 . 1 95 95 GLU H H 1 8.199 0.005 . 1 . . . . . 95 GLU H . 53289 2 170 . 1 . 1 95 95 GLU N N 15 123.030 0.010 . 1 . . . . . 95 GLU N . 53289 2 171 . 1 . 1 96 96 LYS H H 1 8.201 0.005 . 1 . . . . . 96 LYS H . 53289 2 172 . 1 . 1 96 96 LYS N N 15 123.079 0.010 . 1 . . . . . 96 LYS N . 53289 2 173 . 1 . 1 97 97 LYS H H 1 8.237 0.005 . 1 . . . . . 97 LYS H . 53289 2 174 . 1 . 1 97 97 LYS N N 15 123.385 0.010 . 1 . . . . . 97 LYS N . 53289 2 175 . 1 . 1 98 98 SER H H 1 8.212 0.005 . 1 . . . . . 98 SER H . 53289 2 176 . 1 . 1 98 98 SER N N 15 117.650 0.010 . 1 . . . . . 98 SER N . 53289 2 177 . 1 . 1 99 99 ALA H H 1 8.239 0.005 . 1 . . . . . 99 ALA H . 53289 2 178 . 1 . 1 99 99 ALA N N 15 126.968 0.010 . 1 . . . . . 99 ALA N . 53289 2 179 . 1 . 1 100 100 ALA H H 1 8.032 0.005 . 1 . . . . . 100 ALA H . 53289 2 180 . 1 . 1 100 100 ALA N N 15 123.352 0.010 . 1 . . . . . 100 ALA N . 53289 2 181 . 1 . 1 101 101 PHE H H 1 7.895 0.005 . 1 . . . . . 101 PHE H . 53289 2 182 . 1 . 1 101 101 PHE N N 15 119.437 0.010 . 1 . . . . . 101 PHE N . 53289 2 183 . 1 . 1 102 102 ALA H H 1 7.980 0.005 . 1 . . . . . 102 ALA H . 53289 2 184 . 1 . 1 102 102 ALA N N 15 126.861 0.010 . 1 . . . . . 102 ALA N . 53289 2 185 . 1 . 1 103 103 LYS H H 1 7.742 0.005 . 1 . . . . . 103 LYS H . 53289 2 186 . 1 . 1 103 103 LYS N N 15 126.852 0.010 . 1 . . . . . 103 LYS N . 53289 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 53289 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name 'sMyBP-C wild-type M-domain in 100 mM NaCl' _Assigned_chem_shift_list.Sample_condition_list_ID 3 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3 _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' . . . 53289 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 . . 53289 3 2 $software_2 . . 53289 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 8.372 0.005 . 1 . . . . . 8 GLU H . 53289 3 2 . 1 . 1 8 8 GLU N N 15 123.404 0.010 . 1 . . . . . 8 GLU N . 53289 3 3 . 1 . 1 9 9 SER H H 1 8.412 0.005 . 1 . . . . . 9 SER H . 53289 3 4 . 1 . 1 9 9 SER N N 15 117.986 0.010 . 1 . . . . . 9 SER N . 53289 3 5 . 1 . 1 10 10 THR H H 1 8.165 0.005 . 1 . . . . . 10 THR H . 53289 3 6 . 1 . 1 10 10 THR N N 15 116.377 0.010 . 1 . . . . . 10 THR N . 53289 3 7 . 1 . 1 11 11 GLY H H 1 8.346 0.005 . 1 . . . . . 11 GLY H . 53289 3 8 . 1 . 1 11 11 GLY N N 15 111.918 0.010 . 1 . . . . . 11 GLY N . 53289 3 9 . 1 . 1 12 12 THR H H 1 8.015 0.005 . 1 . . . . . 12 THR H . 53289 3 10 . 1 . 1 12 12 THR N N 15 114.290 0.010 . 1 . . . . . 12 THR N . 53289 3 11 . 1 . 1 13 13 THR H H 1 8.182 0.005 . 1 . . . . . 13 THR H . 53289 3 12 . 1 . 1 13 13 THR N N 15 119.891 0.010 . 1 . . . . . 13 THR N . 53289 3 13 . 1 . 1 15 15 ASN H H 1 8.428 0.005 . 1 . . . . . 15 ASN H . 53289 3 14 . 1 . 1 15 15 ASN N N 15 119.983 0.010 . 1 . . . . . 15 ASN N . 53289 3 15 . 1 . 1 16 16 ILE H H 1 7.956 0.005 . 1 . . . . . 16 ILE H . 53289 3 16 . 1 . 1 16 16 ILE N N 15 121.522 0.010 . 1 . . . . . 16 ILE N . 53289 3 17 . 1 . 1 17 17 ASP H H 1 8.313 0.005 . 1 . . . . . 17 ASP H . 53289 3 18 . 1 . 1 17 17 ASP N N 15 125.293 0.010 . 1 . . . . . 17 ASP N . 53289 3 19 . 1 . 1 18 18 ILE H H 1 8.062 0.005 . 1 . . . . . 18 ILE H . 53289 3 20 . 1 . 1 18 18 ILE N N 15 122.817 0.010 . 1 . . . . . 18 ILE N . 53289 3 21 . 1 . 1 19 19 ARG H H 1 8.260 0.005 . 1 . . . . . 19 ARG H . 53289 3 22 . 1 . 1 19 19 ARG N N 15 123.901 0.010 . 1 . . . . . 19 ARG N . 53289 3 23 . 1 . 1 20 20 SER H H 1 8.051 0.005 . 1 . . . . . 20 SER H . 53289 3 24 . 1 . 1 20 20 SER N N 15 116.667 0.010 . 1 . . . . . 20 SER N . 53289 3 25 . 1 . 1 21 21 ALA H H 1 8.075 0.005 . 1 . . . . . 21 ALA H . 53289 3 26 . 1 . 1 21 21 ALA N N 15 126.129 0.010 . 1 . . . . . 21 ALA N . 53289 3 27 . 1 . 1 22 22 PHE H H 1 7.926 0.005 . 1 . . . . . 22 PHE H . 53289 3 28 . 1 . 1 22 22 PHE N N 15 119.418 0.010 . 1 . . . . . 22 PHE N . 53289 3 29 . 1 . 1 23 23 LYS H H 1 7.993 0.005 . 1 . . . . . 23 LYS H . 53289 3 30 . 1 . 1 23 23 LYS N N 15 123.922 0.010 . 1 . . . . . 23 LYS N . 53289 3 31 . 1 . 1 24 24 ARG H H 1 8.312 0.005 . 1 . . . . . 24 ARG H . 53289 3 32 . 1 . 1 24 24 ARG N N 15 123.726 0.010 . 1 . . . . . 24 ARG N . 53289 3 33 . 1 . 1 25 25 SER H H 1 8.359 0.005 . 1 . . . . . 25 SER H . 53289 3 34 . 1 . 1 25 25 SER N N 15 118.118 0.010 . 1 . . . . . 25 SER N . 53289 3 35 . 1 . 1 26 26 GLY H H 1 8.411 0.005 . 1 . . . . . 26 GLY H . 53289 3 36 . 1 . 1 26 26 GLY N N 15 111.974 0.010 . 1 . . . . . 26 GLY N . 53289 3 37 . 1 . 1 27 27 GLU H H 1 8.209 0.005 . 1 . . . . . 27 GLU H . 53289 3 38 . 1 . 1 27 27 GLU N N 15 121.298 0.010 . 1 . . . . . 27 GLU N . 53289 3 39 . 1 . 1 28 28 GLY H H 1 8.522 0.005 . 1 . . . . . 28 GLY H . 53289 3 40 . 1 . 1 28 28 GLY N N 15 111.267 0.010 . 1 . . . . . 28 GLY N . 53289 3 41 . 1 . 1 29 29 GLN H H 1 8.152 0.005 . 1 . . . . . 29 GLN H . 53289 3 42 . 1 . 1 29 29 GLN N N 15 120.474 0.010 . 1 . . . . . 29 GLN N . 53289 3 43 . 1 . 1 30 30 GLU H H 1 8.566 0.005 . 1 . . . . . 30 GLU H . 53289 3 44 . 1 . 1 30 30 GLU N N 15 122.911 0.010 . 1 . . . . . 30 GLU N . 53289 3 45 . 1 . 1 31 31 ASP H H 1 8.318 0.005 . 1 . . . . . 31 ASP H . 53289 3 46 . 1 . 1 31 31 ASP N N 15 122.216 0.010 . 1 . . . . . 31 ASP N . 53289 3 47 . 1 . 1 32 32 ALA H H 1 8.221 0.005 . 1 . . . . . 32 ALA H . 53289 3 48 . 1 . 1 32 32 ALA N N 15 125.755 0.010 . 1 . . . . . 32 ALA N . 53289 3 49 . 1 . 1 33 33 GLY H H 1 8.330 0.005 . 1 . . . . . 33 GLY H . 53289 3 50 . 1 . 1 33 33 GLY N N 15 108.599 0.010 . 1 . . . . . 33 GLY N . 53289 3 51 . 1 . 1 34 34 GLU H H 1 8.175 0.005 . 1 . . . . . 34 GLU H . 53289 3 52 . 1 . 1 34 34 GLU N N 15 121.201 0.010 . 1 . . . . . 34 GLU N . 53289 3 53 . 1 . 1 35 35 LEU H H 1 8.116 0.005 . 1 . . . . . 35 LEU H . 53289 3 54 . 1 . 1 35 35 LEU N N 15 123.300 0.010 . 1 . . . . . 35 LEU N . 53289 3 55 . 1 . 1 36 36 ASP H H 1 8.117 0.005 . 1 . . . . . 36 ASP H . 53289 3 56 . 1 . 1 36 36 ASP N N 15 121.580 0.010 . 1 . . . . . 36 ASP N . 53289 3 57 . 1 . 1 37 37 PHE H H 1 8.271 0.005 . 1 . . . . . 37 PHE H . 53289 3 58 . 1 . 1 37 37 PHE N N 15 122.749 0.010 . 1 . . . . . 37 PHE N . 53289 3 59 . 1 . 1 38 38 SER H H 1 8.310 0.005 . 1 . . . . . 38 SER H . 53289 3 60 . 1 . 1 38 38 SER N N 15 117.450 0.010 . 1 . . . . . 38 SER N . 53289 3 61 . 1 . 1 39 39 GLY H H 1 8.111 0.005 . 1 . . . . . 39 GLY H . 53289 3 62 . 1 . 1 39 39 GLY N N 15 111.344 0.010 . 1 . . . . . 39 GLY N . 53289 3 63 . 1 . 1 40 40 LEU H H 1 7.842 0.005 . 1 . . . . . 40 LEU H . 53289 3 64 . 1 . 1 40 40 LEU N N 15 122.157 0.010 . 1 . . . . . 40 LEU N . 53289 3 65 . 1 . 1 41 41 LEU H H 1 7.973 0.005 . 1 . . . . . 41 LEU H . 53289 3 66 . 1 . 1 41 41 LEU N N 15 121.690 0.010 . 1 . . . . . 41 LEU N . 53289 3 67 . 1 . 1 42 42 LYS H H 1 7.998 0.005 . 1 . . . . . 42 LYS H . 53289 3 68 . 1 . 1 42 42 LYS N N 15 122.288 0.010 . 1 . . . . . 42 LYS N . 53289 3 69 . 1 . 1 43 43 ARG H H 1 8.135 0.005 . 1 . . . . . 43 ARG H . 53289 3 70 . 1 . 1 43 43 ARG N N 15 122.687 0.010 . 1 . . . . . 43 ARG N . 53289 3 71 . 1 . 1 44 44 ARG H H 1 8.248 0.005 . 1 . . . . . 44 ARG H . 53289 3 72 . 1 . 1 44 44 ARG N N 15 123.172 0.010 . 1 . . . . . 44 ARG N . 53289 3 73 . 1 . 1 45 45 GLU H H 1 8.368 0.005 . 1 . . . . . 45 GLU H . 53289 3 74 . 1 . 1 45 45 GLU N N 15 123.231 0.010 . 1 . . . . . 45 GLU N . 53289 3 75 . 1 . 1 46 46 VAL H H 1 8.091 0.005 . 1 . . . . . 46 VAL H . 53289 3 76 . 1 . 1 46 46 VAL N N 15 122.507 0.010 . 1 . . . . . 46 VAL N . 53289 3 77 . 1 . 1 47 47 LYS H H 1 8.337 0.005 . 1 . . . . . 47 LYS H . 53289 3 78 . 1 . 1 47 47 LYS N N 15 126.118 0.010 . 1 . . . . . 47 LYS N . 53289 3 79 . 1 . 1 48 48 GLN H H 1 8.389 0.005 . 1 . . . . . 48 GLN H . 53289 3 80 . 1 . 1 48 48 GLN N N 15 122.891 0.010 . 1 . . . . . 48 GLN N . 53289 3 81 . 1 . 1 49 49 GLN H H 1 8.379 0.005 . 1 . . . . . 49 GLN H . 53289 3 82 . 1 . 1 49 49 GLN N N 15 122.236 0.010 . 1 . . . . . 49 GLN N . 53289 3 83 . 1 . 1 50 50 GLU H H 1 8.412 0.005 . 1 . . . . . 50 GLU H . 53289 3 84 . 1 . 1 50 50 GLU N N 15 122.751 0.010 . 1 . . . . . 50 GLU N . 53289 3 85 . 1 . 1 51 51 GLU H H 1 8.323 0.005 . 1 . . . . . 51 GLU H . 53289 3 86 . 1 . 1 51 51 GLU N N 15 122.286 0.010 . 1 . . . . . 51 GLU N . 53289 3 87 . 1 . 1 52 52 GLU H H 1 8.333 0.005 . 1 . . . . . 52 GLU H . 53289 3 88 . 1 . 1 52 52 GLU N N 15 124.217 0.010 . 1 . . . . . 52 GLU N . 53289 3 89 . 1 . 1 54 54 GLN H H 1 8.502 0.005 . 1 . . . . . 54 GLN H . 53289 3 90 . 1 . 1 54 54 GLN N N 15 121.992 0.010 . 1 . . . . . 54 GLN N . 53289 3 91 . 1 . 1 55 55 VAL H H 1 8.070 0.005 . 1 . . . . . 55 VAL H . 53289 3 92 . 1 . 1 55 55 VAL N N 15 122.178 0.010 . 1 . . . . . 55 VAL N . 53289 3 93 . 1 . 1 56 56 ASP H H 1 8.356 0.005 . 1 . . . . . 56 ASP H . 53289 3 94 . 1 . 1 56 56 ASP N N 15 125.597 0.010 . 1 . . . . . 56 ASP N . 53289 3 95 . 1 . 1 57 57 VAL H H 1 8.136 0.005 . 1 . . . . . 57 VAL H . 53289 3 96 . 1 . 1 57 57 VAL N N 15 124.801 0.010 . 1 . . . . . 57 VAL N . 53289 3 97 . 1 . 1 58 58 TRP H H 1 7.580 0.005 . 1 . . . . . 58 TRP H . 53289 3 98 . 1 . 1 58 58 TRP N N 15 122.019 0.010 . 1 . . . . . 58 TRP N . 53289 3 99 . 1 . 1 59 59 GLU H H 1 7.516 0.005 . 1 . . . . . 59 GLU H . 53289 3 100 . 1 . 1 59 59 GLU N N 15 119.398 0.010 . 1 . . . . . 59 GLU N . 53289 3 101 . 1 . 1 60 60 LEU H H 1 7.377 0.005 . 1 . . . . . 60 LEU H . 53289 3 102 . 1 . 1 60 60 LEU N N 15 119.149 0.010 . 1 . . . . . 60 LEU N . 53289 3 103 . 1 . 1 61 61 LEU H H 1 8.031 0.005 . 1 . . . . . 61 LEU H . 53289 3 104 . 1 . 1 61 61 LEU N N 15 118.872 0.010 . 1 . . . . . 61 LEU N . 53289 3 105 . 1 . 1 62 62 LYS H H 1 7.924 0.005 . 1 . . . . . 62 LYS H . 53289 3 106 . 1 . 1 62 62 LYS N N 15 119.337 0.010 . 1 . . . . . 62 LYS N . 53289 3 107 . 1 . 1 63 63 ASN H H 1 7.271 0.005 . 1 . . . . . 63 ASN H . 53289 3 108 . 1 . 1 63 63 ASN N N 15 114.648 0.010 . 1 . . . . . 63 ASN N . 53289 3 109 . 1 . 1 64 64 ALA H H 1 7.375 0.005 . 1 . . . . . 64 ALA H . 53289 3 110 . 1 . 1 64 64 ALA N N 15 124.569 0.010 . 1 . . . . . 64 ALA N . 53289 3 111 . 1 . 1 65 65 LYS H H 1 8.585 0.005 . 1 . . . . . 65 LYS H . 53289 3 112 . 1 . 1 65 65 LYS N N 15 122.399 0.010 . 1 . . . . . 65 LYS N . 53289 3 113 . 1 . 1 67 67 SER H H 1 7.609 0.005 . 1 . . . . . 67 SER H . 53289 3 114 . 1 . 1 67 67 SER N N 15 111.389 0.010 . 1 . . . . . 67 SER N . 53289 3 115 . 1 . 1 68 68 GLU H H 1 8.238 0.005 . 1 . . . . . 68 GLU H . 53289 3 116 . 1 . 1 68 68 GLU N N 15 121.289 0.010 . 1 . . . . . 68 GLU N . 53289 3 117 . 1 . 1 69 69 TYR H H 1 7.285 0.005 . 1 . . . . . 69 TYR H . 53289 3 118 . 1 . 1 69 69 TYR N N 15 118.893 0.010 . 1 . . . . . 69 TYR N . 53289 3 119 . 1 . 1 70 70 GLU H H 1 8.669 0.005 . 1 . . . . . 70 GLU H . 53289 3 120 . 1 . 1 70 70 GLU N N 15 117.896 0.010 . 1 . . . . . 70 GLU N . 53289 3 121 . 1 . 1 71 71 LYS H H 1 7.871 0.005 . 1 . . . . . 71 LYS H . 53289 3 122 . 1 . 1 71 71 LYS N N 15 121.745 0.010 . 1 . . . . . 71 LYS N . 53289 3 123 . 1 . 1 72 72 ILE H H 1 7.997 0.005 . 1 . . . . . 72 ILE H . 53289 3 124 . 1 . 1 72 72 ILE N N 15 122.122 0.010 . 1 . . . . . 72 ILE N . 53289 3 125 . 1 . 1 73 73 ALA H H 1 8.475 0.005 . 1 . . . . . 73 ALA H . 53289 3 126 . 1 . 1 73 73 ALA N N 15 121.643 0.010 . 1 . . . . . 73 ALA N . 53289 3 127 . 1 . 1 74 74 PHE H H 1 8.119 0.005 . 1 . . . . . 74 PHE H . 53289 3 128 . 1 . 1 74 74 PHE N N 15 117.826 0.010 . 1 . . . . . 74 PHE N . 53289 3 129 . 1 . 1 75 75 GLN H H 1 8.159 0.005 . 1 . . . . . 75 GLN H . 53289 3 130 . 1 . 1 75 75 GLN N N 15 120.856 0.010 . 1 . . . . . 75 GLN N . 53289 3 131 . 1 . 1 76 76 TYR H H 1 7.706 0.005 . 1 . . . . . 76 TYR H . 53289 3 132 . 1 . 1 76 76 TYR N N 15 114.885 0.010 . 1 . . . . . 76 TYR N . 53289 3 133 . 1 . 1 77 77 GLY H H 1 7.518 0.005 . 1 . . . . . 77 GLY H . 53289 3 134 . 1 . 1 77 77 GLY N N 15 110.165 0.010 . 1 . . . . . 77 GLY N . 53289 3 135 . 1 . 1 78 78 ILE H H 1 8.258 0.005 . 1 . . . . . 78 ILE H . 53289 3 136 . 1 . 1 78 78 ILE N N 15 121.865 0.010 . 1 . . . . . 78 ILE N . 53289 3 137 . 1 . 1 79 79 THR H H 1 8.214 0.005 . 1 . . . . . 79 THR H . 53289 3 138 . 1 . 1 79 79 THR N N 15 119.334 0.010 . 1 . . . . . 79 THR N . 53289 3 139 . 1 . 1 80 80 ASP H H 1 7.945 0.005 . 1 . . . . . 80 ASP H . 53289 3 140 . 1 . 1 80 80 ASP N N 15 122.980 0.010 . 1 . . . . . 80 ASP N . 53289 3 141 . 1 . 1 81 81 LEU H H 1 8.399 0.005 . 1 . . . . . 81 LEU H . 53289 3 142 . 1 . 1 81 81 LEU N N 15 126.469 0.010 . 1 . . . . . 81 LEU N . 53289 3 143 . 1 . 1 82 82 ARG H H 1 8.421 0.005 . 1 . . . . . 82 ARG H . 53289 3 144 . 1 . 1 82 82 ARG N N 15 118.825 0.010 . 1 . . . . . 82 ARG N . 53289 3 145 . 1 . 1 83 83 GLY H H 1 8.254 0.005 . 1 . . . . . 83 GLY H . 53289 3 146 . 1 . 1 83 83 GLY N N 15 109.308 0.010 . 1 . . . . . 83 GLY N . 53289 3 147 . 1 . 1 84 84 MET H H 1 7.893 0.005 . 1 . . . . . 84 MET H . 53289 3 148 . 1 . 1 84 84 MET N N 15 123.737 0.010 . 1 . . . . . 84 MET N . 53289 3 149 . 1 . 1 85 85 LEU H H 1 8.275 0.005 . 1 . . . . . 85 LEU H . 53289 3 150 . 1 . 1 85 85 LEU N N 15 119.584 0.010 . 1 . . . . . 85 LEU N . 53289 3 151 . 1 . 1 86 86 LYS H H 1 7.739 0.005 . 1 . . . . . 86 LYS H . 53289 3 152 . 1 . 1 86 86 LYS N N 15 120.092 0.010 . 1 . . . . . 86 LYS N . 53289 3 153 . 1 . 1 87 87 ARG H H 1 7.625 0.005 . 1 . . . . . 87 ARG H . 53289 3 154 . 1 . 1 87 87 ARG N N 15 120.461 0.010 . 1 . . . . . 87 ARG N . 53289 3 155 . 1 . 1 88 88 LEU H H 1 8.221 0.005 . 1 . . . . . 88 LEU H . 53289 3 156 . 1 . 1 88 88 LEU N N 15 121.239 0.010 . 1 . . . . . 88 LEU N . 53289 3 157 . 1 . 1 89 89 LYS H H 1 7.902 0.005 . 1 . . . . . 89 LYS H . 53289 3 158 . 1 . 1 89 89 LYS N N 15 119.361 0.010 . 1 . . . . . 89 LYS N . 53289 3 159 . 1 . 1 90 90 ARG H H 1 7.590 0.005 . 1 . . . . . 90 ARG H . 53289 3 160 . 1 . 1 90 90 ARG N N 15 119.730 0.010 . 1 . . . . . 90 ARG N . 53289 3 161 . 1 . 1 91 91 MET H H 1 7.990 0.005 . 1 . . . . . 91 MET H . 53289 3 162 . 1 . 1 91 91 MET N N 15 120.089 0.010 . 1 . . . . . 91 MET N . 53289 3 163 . 1 . 1 92 92 ARG H H 1 8.014 0.005 . 1 . . . . . 92 ARG H . 53289 3 164 . 1 . 1 92 92 ARG N N 15 120.855 0.010 . 1 . . . . . 92 ARG N . 53289 3 165 . 1 . 1 93 93 ARG H H 1 8.022 0.005 . 1 . . . . . 93 ARG H . 53289 3 166 . 1 . 1 93 93 ARG N N 15 122.123 0.010 . 1 . . . . . 93 ARG N . 53289 3 167 . 1 . 1 94 94 GLU H H 1 8.269 0.005 . 1 . . . . . 94 GLU H . 53289 3 168 . 1 . 1 94 94 GLU N N 15 121.856 0.010 . 1 . . . . . 94 GLU N . 53289 3 169 . 1 . 1 95 95 GLU H H 1 8.190 0.005 . 1 . . . . . 95 GLU H . 53289 3 170 . 1 . 1 95 95 GLU N N 15 122.988 0.010 . 1 . . . . . 95 GLU N . 53289 3 171 . 1 . 1 96 96 LYS H H 1 8.193 0.005 . 1 . . . . . 96 LYS H . 53289 3 172 . 1 . 1 96 96 LYS N N 15 123.002 0.010 . 1 . . . . . 96 LYS N . 53289 3 173 . 1 . 1 97 97 LYS H H 1 8.228 0.005 . 1 . . . . . 97 LYS H . 53289 3 174 . 1 . 1 97 97 LYS N N 15 123.366 0.010 . 1 . . . . . 97 LYS N . 53289 3 175 . 1 . 1 98 98 SER H H 1 8.209 0.005 . 1 . . . . . 98 SER H . 53289 3 176 . 1 . 1 98 98 SER N N 15 117.624 0.010 . 1 . . . . . 98 SER N . 53289 3 177 . 1 . 1 99 99 ALA H H 1 8.232 0.005 . 1 . . . . . 99 ALA H . 53289 3 178 . 1 . 1 99 99 ALA N N 15 126.944 0.010 . 1 . . . . . 99 ALA N . 53289 3 179 . 1 . 1 100 100 ALA H H 1 8.029 0.005 . 1 . . . . . 100 ALA H . 53289 3 180 . 1 . 1 100 100 ALA N N 15 123.331 0.010 . 1 . . . . . 100 ALA N . 53289 3 181 . 1 . 1 101 101 PHE H H 1 7.895 0.005 . 1 . . . . . 101 PHE H . 53289 3 182 . 1 . 1 101 101 PHE N N 15 119.432 0.010 . 1 . . . . . 101 PHE N . 53289 3 183 . 1 . 1 102 102 ALA H H 1 7.979 0.005 . 1 . . . . . 102 ALA H . 53289 3 184 . 1 . 1 102 102 ALA N N 15 126.864 0.010 . 1 . . . . . 102 ALA N . 53289 3 185 . 1 . 1 103 103 LYS H H 1 7.743 0.005 . 1 . . . . . 103 LYS H . 53289 3 186 . 1 . 1 103 103 LYS N N 15 126.864 0.010 . 1 . . . . . 103 LYS N . 53289 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 53289 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name 'sMyBP-C wild-type M-domain in 125 mM NaCl' _Assigned_chem_shift_list.Sample_condition_list_ID 4 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4 _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' . . . 53289 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 . . 53289 4 2 $software_2 . . 53289 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 8.374 0.005 . 1 . . . . . 8 GLU H . 53289 4 2 . 1 . 1 8 8 GLU N N 15 123.402 0.010 . 1 . . . . . 8 GLU N . 53289 4 3 . 1 . 1 9 9 SER H H 1 8.414 0.005 . 1 . . . . . 9 SER H . 53289 4 4 . 1 . 1 9 9 SER N N 15 117.984 0.010 . 1 . . . . . 9 SER N . 53289 4 5 . 1 . 1 10 10 THR H H 1 8.167 0.005 . 1 . . . . . 10 THR H . 53289 4 6 . 1 . 1 10 10 THR N N 15 116.368 0.010 . 1 . . . . . 10 THR N . 53289 4 7 . 1 . 1 11 11 GLY H H 1 8.348 0.005 . 1 . . . . . 11 GLY H . 53289 4 8 . 1 . 1 11 11 GLY N N 15 111.923 0.010 . 1 . . . . . 11 GLY N . 53289 4 9 . 1 . 1 12 12 THR H H 1 8.016 0.005 . 1 . . . . . 12 THR H . 53289 4 10 . 1 . 1 12 12 THR N N 15 114.296 0.010 . 1 . . . . . 12 THR N . 53289 4 11 . 1 . 1 13 13 THR H H 1 8.183 0.005 . 1 . . . . . 13 THR H . 53289 4 12 . 1 . 1 13 13 THR N N 15 119.892 0.010 . 1 . . . . . 13 THR N . 53289 4 13 . 1 . 1 15 15 ASN H H 1 8.429 0.005 . 1 . . . . . 15 ASN H . 53289 4 14 . 1 . 1 15 15 ASN N N 15 119.996 0.010 . 1 . . . . . 15 ASN N . 53289 4 15 . 1 . 1 16 16 ILE H H 1 7.956 0.005 . 1 . . . . . 16 ILE H . 53289 4 16 . 1 . 1 16 16 ILE N N 15 121.522 0.010 . 1 . . . . . 16 ILE N . 53289 4 17 . 1 . 1 17 17 ASP H H 1 8.314 0.005 . 1 . . . . . 17 ASP H . 53289 4 18 . 1 . 1 17 17 ASP N N 15 125.289 0.010 . 1 . . . . . 17 ASP N . 53289 4 19 . 1 . 1 18 18 ILE H H 1 8.061 0.005 . 1 . . . . . 18 ILE H . 53289 4 20 . 1 . 1 18 18 ILE N N 15 122.812 0.010 . 1 . . . . . 18 ILE N . 53289 4 21 . 1 . 1 19 19 ARG H H 1 8.261 0.005 . 1 . . . . . 19 ARG H . 53289 4 22 . 1 . 1 19 19 ARG N N 15 123.925 0.010 . 1 . . . . . 19 ARG N . 53289 4 23 . 1 . 1 20 20 SER H H 1 8.054 0.005 . 1 . . . . . 20 SER H . 53289 4 24 . 1 . 1 20 20 SER N N 15 116.688 0.010 . 1 . . . . . 20 SER N . 53289 4 25 . 1 . 1 21 21 ALA H H 1 8.076 0.005 . 1 . . . . . 21 ALA H . 53289 4 26 . 1 . 1 21 21 ALA N N 15 126.132 0.010 . 1 . . . . . 21 ALA N . 53289 4 27 . 1 . 1 22 22 PHE H H 1 7.929 0.005 . 1 . . . . . 22 PHE H . 53289 4 28 . 1 . 1 22 22 PHE N N 15 119.417 0.010 . 1 . . . . . 22 PHE N . 53289 4 29 . 1 . 1 23 23 LYS H H 1 7.994 0.005 . 1 . . . . . 23 LYS H . 53289 4 30 . 1 . 1 23 23 LYS N N 15 123.918 0.010 . 1 . . . . . 23 LYS N . 53289 4 31 . 1 . 1 24 24 ARG H H 1 8.312 0.005 . 1 . . . . . 24 ARG H . 53289 4 32 . 1 . 1 24 24 ARG N N 15 123.717 0.010 . 1 . . . . . 24 ARG N . 53289 4 33 . 1 . 1 25 25 SER H H 1 8.357 0.005 . 1 . . . . . 25 SER H . 53289 4 34 . 1 . 1 25 25 SER N N 15 118.109 0.010 . 1 . . . . . 25 SER N . 53289 4 35 . 1 . 1 26 26 GLY H H 1 8.411 0.005 . 1 . . . . . 26 GLY H . 53289 4 36 . 1 . 1 26 26 GLY N N 15 111.957 0.010 . 1 . . . . . 26 GLY N . 53289 4 37 . 1 . 1 27 27 GLU H H 1 8.210 0.005 . 1 . . . . . 27 GLU H . 53289 4 38 . 1 . 1 27 27 GLU N N 15 121.303 0.010 . 1 . . . . . 27 GLU N . 53289 4 39 . 1 . 1 28 28 GLY H H 1 8.522 0.005 . 1 . . . . . 28 GLY H . 53289 4 40 . 1 . 1 28 28 GLY N N 15 111.270 0.010 . 1 . . . . . 28 GLY N . 53289 4 41 . 1 . 1 29 29 GLN H H 1 8.153 0.005 . 1 . . . . . 29 GLN H . 53289 4 42 . 1 . 1 29 29 GLN N N 15 120.478 0.010 . 1 . . . . . 29 GLN N . 53289 4 43 . 1 . 1 30 30 GLU H H 1 8.567 0.005 . 1 . . . . . 30 GLU H . 53289 4 44 . 1 . 1 30 30 GLU N N 15 122.916 0.010 . 1 . . . . . 30 GLU N . 53289 4 45 . 1 . 1 31 31 ASP H H 1 8.320 0.005 . 1 . . . . . 31 ASP H . 53289 4 46 . 1 . 1 31 31 ASP N N 15 122.218 0.010 . 1 . . . . . 31 ASP N . 53289 4 47 . 1 . 1 32 32 ALA H H 1 8.222 0.005 . 1 . . . . . 32 ALA H . 53289 4 48 . 1 . 1 32 32 ALA N N 15 125.764 0.010 . 1 . . . . . 32 ALA N . 53289 4 49 . 1 . 1 33 33 GLY H H 1 8.331 0.005 . 1 . . . . . 33 GLY H . 53289 4 50 . 1 . 1 33 33 GLY N N 15 108.607 0.010 . 1 . . . . . 33 GLY N . 53289 4 51 . 1 . 1 34 34 GLU H H 1 8.176 0.005 . 1 . . . . . 34 GLU H . 53289 4 52 . 1 . 1 34 34 GLU N N 15 121.210 0.010 . 1 . . . . . 34 GLU N . 53289 4 53 . 1 . 1 35 35 LEU H H 1 8.118 0.005 . 1 . . . . . 35 LEU H . 53289 4 54 . 1 . 1 35 35 LEU N N 15 123.310 0.010 . 1 . . . . . 35 LEU N . 53289 4 55 . 1 . 1 36 36 ASP H H 1 8.119 0.005 . 1 . . . . . 36 ASP H . 53289 4 56 . 1 . 1 36 36 ASP N N 15 121.580 0.010 . 1 . . . . . 36 ASP N . 53289 4 57 . 1 . 1 37 37 PHE H H 1 8.271 0.005 . 1 . . . . . 37 PHE H . 53289 4 58 . 1 . 1 37 37 PHE N N 15 122.753 0.010 . 1 . . . . . 37 PHE N . 53289 4 59 . 1 . 1 38 38 SER H H 1 8.311 0.005 . 1 . . . . . 38 SER H . 53289 4 60 . 1 . 1 38 38 SER N N 15 117.469 0.010 . 1 . . . . . 38 SER N . 53289 4 61 . 1 . 1 39 39 GLY H H 1 8.108 0.005 . 1 . . . . . 39 GLY H . 53289 4 62 . 1 . 1 39 39 GLY N N 15 111.355 0.010 . 1 . . . . . 39 GLY N . 53289 4 63 . 1 . 1 40 40 LEU H H 1 7.844 0.005 . 1 . . . . . 40 LEU H . 53289 4 64 . 1 . 1 40 40 LEU N N 15 122.168 0.010 . 1 . . . . . 40 LEU N . 53289 4 65 . 1 . 1 41 41 LEU H H 1 7.976 0.005 . 1 . . . . . 41 LEU H . 53289 4 66 . 1 . 1 41 41 LEU N N 15 121.716 0.010 . 1 . . . . . 41 LEU N . 53289 4 67 . 1 . 1 42 42 LYS H H 1 8.000 0.005 . 1 . . . . . 42 LYS H . 53289 4 68 . 1 . 1 42 42 LYS N N 15 122.277 0.010 . 1 . . . . . 42 LYS N . 53289 4 69 . 1 . 1 43 43 ARG H H 1 8.136 0.005 . 1 . . . . . 43 ARG H . 53289 4 70 . 1 . 1 43 43 ARG N N 15 122.686 0.010 . 1 . . . . . 43 ARG N . 53289 4 71 . 1 . 1 44 44 ARG H H 1 8.248 0.005 . 1 . . . . . 44 ARG H . 53289 4 72 . 1 . 1 44 44 ARG N N 15 123.161 0.010 . 1 . . . . . 44 ARG N . 53289 4 73 . 1 . 1 45 45 GLU H H 1 8.368 0.005 . 1 . . . . . 45 GLU H . 53289 4 74 . 1 . 1 45 45 GLU N N 15 123.243 0.010 . 1 . . . . . 45 GLU N . 53289 4 75 . 1 . 1 46 46 VAL H H 1 8.094 0.005 . 1 . . . . . 46 VAL H . 53289 4 76 . 1 . 1 46 46 VAL N N 15 122.531 0.010 . 1 . . . . . 46 VAL N . 53289 4 77 . 1 . 1 47 47 LYS H H 1 8.338 0.005 . 1 . . . . . 47 LYS H . 53289 4 78 . 1 . 1 47 47 LYS N N 15 126.132 0.010 . 1 . . . . . 47 LYS N . 53289 4 79 . 1 . 1 48 48 GLN H H 1 8.391 0.005 . 1 . . . . . 48 GLN H . 53289 4 80 . 1 . 1 48 48 GLN N N 15 122.908 0.010 . 1 . . . . . 48 GLN N . 53289 4 81 . 1 . 1 49 49 GLN H H 1 8.381 0.005 . 1 . . . . . 49 GLN H . 53289 4 82 . 1 . 1 49 49 GLN N N 15 122.264 0.010 . 1 . . . . . 49 GLN N . 53289 4 83 . 1 . 1 50 50 GLU H H 1 8.414 0.005 . 1 . . . . . 50 GLU H . 53289 4 84 . 1 . 1 50 50 GLU N N 15 122.786 0.010 . 1 . . . . . 50 GLU N . 53289 4 85 . 1 . 1 51 51 GLU H H 1 8.324 0.005 . 1 . . . . . 51 GLU H . 53289 4 86 . 1 . 1 51 51 GLU N N 15 122.288 0.010 . 1 . . . . . 51 GLU N . 53289 4 87 . 1 . 1 52 52 GLU H H 1 8.336 0.005 . 1 . . . . . 52 GLU H . 53289 4 88 . 1 . 1 52 52 GLU N N 15 124.229 0.010 . 1 . . . . . 52 GLU N . 53289 4 89 . 1 . 1 54 54 GLN H H 1 8.503 0.005 . 1 . . . . . 54 GLN H . 53289 4 90 . 1 . 1 54 54 GLN N N 15 122.011 0.010 . 1 . . . . . 54 GLN N . 53289 4 91 . 1 . 1 55 55 VAL H H 1 8.073 0.005 . 1 . . . . . 55 VAL H . 53289 4 92 . 1 . 1 55 55 VAL N N 15 122.212 0.010 . 1 . . . . . 55 VAL N . 53289 4 93 . 1 . 1 56 56 ASP H H 1 8.356 0.005 . 1 . . . . . 56 ASP H . 53289 4 94 . 1 . 1 56 56 ASP N N 15 125.636 0.010 . 1 . . . . . 56 ASP N . 53289 4 95 . 1 . 1 57 57 VAL H H 1 8.141 0.005 . 1 . . . . . 57 VAL H . 53289 4 96 . 1 . 1 57 57 VAL N N 15 124.835 0.010 . 1 . . . . . 57 VAL N . 53289 4 97 . 1 . 1 58 58 TRP H H 1 7.579 0.005 . 1 . . . . . 58 TRP H . 53289 4 98 . 1 . 1 58 58 TRP N N 15 122.033 0.010 . 1 . . . . . 58 TRP N . 53289 4 99 . 1 . 1 59 59 GLU H H 1 7.513 0.005 . 1 . . . . . 59 GLU H . 53289 4 100 . 1 . 1 59 59 GLU N N 15 119.416 0.010 . 1 . . . . . 59 GLU N . 53289 4 101 . 1 . 1 60 60 LEU H H 1 7.377 0.005 . 1 . . . . . 60 LEU H . 53289 4 102 . 1 . 1 60 60 LEU N N 15 119.155 0.010 . 1 . . . . . 60 LEU N . 53289 4 103 . 1 . 1 61 61 LEU H H 1 8.040 0.005 . 1 . . . . . 61 LEU H . 53289 4 104 . 1 . 1 61 61 LEU N N 15 118.898 0.010 . 1 . . . . . 61 LEU N . 53289 4 105 . 1 . 1 62 62 LYS H H 1 7.927 0.005 . 1 . . . . . 62 LYS H . 53289 4 106 . 1 . 1 62 62 LYS N N 15 119.337 0.010 . 1 . . . . . 62 LYS N . 53289 4 107 . 1 . 1 63 63 ASN H H 1 7.266 0.005 . 1 . . . . . 63 ASN H . 53289 4 108 . 1 . 1 63 63 ASN N N 15 114.633 0.010 . 1 . . . . . 63 ASN N . 53289 4 109 . 1 . 1 64 64 ALA H H 1 7.374 0.005 . 1 . . . . . 64 ALA H . 53289 4 110 . 1 . 1 64 64 ALA N N 15 124.576 0.010 . 1 . . . . . 64 ALA N . 53289 4 111 . 1 . 1 65 65 LYS H H 1 8.585 0.005 . 1 . . . . . 65 LYS H . 53289 4 112 . 1 . 1 65 65 LYS N N 15 122.384 0.010 . 1 . . . . . 65 LYS N . 53289 4 113 . 1 . 1 67 67 SER H H 1 7.607 0.005 . 1 . . . . . 67 SER H . 53289 4 114 . 1 . 1 67 67 SER N N 15 111.410 0.010 . 1 . . . . . 67 SER N . 53289 4 115 . 1 . 1 68 68 GLU H H 1 8.241 0.005 . 1 . . . . . 68 GLU H . 53289 4 116 . 1 . 1 68 68 GLU N N 15 121.285 0.010 . 1 . . . . . 68 GLU N . 53289 4 117 . 1 . 1 69 69 TYR H H 1 7.282 0.005 . 1 . . . . . 69 TYR H . 53289 4 118 . 1 . 1 69 69 TYR N N 15 118.882 0.010 . 1 . . . . . 69 TYR N . 53289 4 119 . 1 . 1 70 70 GLU H H 1 8.671 0.005 . 1 . . . . . 70 GLU H . 53289 4 120 . 1 . 1 70 70 GLU N N 15 117.888 0.010 . 1 . . . . . 70 GLU N . 53289 4 121 . 1 . 1 71 71 LYS H H 1 7.873 0.005 . 1 . . . . . 71 LYS H . 53289 4 122 . 1 . 1 71 71 LYS N N 15 121.744 0.010 . 1 . . . . . 71 LYS N . 53289 4 123 . 1 . 1 72 72 ILE H H 1 7.999 0.005 . 1 . . . . . 72 ILE H . 53289 4 124 . 1 . 1 72 72 ILE N N 15 122.123 0.010 . 1 . . . . . 72 ILE N . 53289 4 125 . 1 . 1 73 73 ALA H H 1 8.478 0.005 . 1 . . . . . 73 ALA H . 53289 4 126 . 1 . 1 73 73 ALA N N 15 121.644 0.010 . 1 . . . . . 73 ALA N . 53289 4 127 . 1 . 1 74 74 PHE H H 1 8.120 0.005 . 1 . . . . . 74 PHE H . 53289 4 128 . 1 . 1 74 74 PHE N N 15 117.813 0.010 . 1 . . . . . 74 PHE N . 53289 4 129 . 1 . 1 75 75 GLN H H 1 8.163 0.005 . 1 . . . . . 75 GLN H . 53289 4 130 . 1 . 1 75 75 GLN N N 15 120.846 0.010 . 1 . . . . . 75 GLN N . 53289 4 131 . 1 . 1 76 76 TYR H H 1 7.710 0.005 . 1 . . . . . 76 TYR H . 53289 4 132 . 1 . 1 76 76 TYR N N 15 114.864 0.010 . 1 . . . . . 76 TYR N . 53289 4 133 . 1 . 1 77 77 GLY H H 1 7.516 0.005 . 1 . . . . . 77 GLY H . 53289 4 134 . 1 . 1 77 77 GLY N N 15 110.196 0.010 . 1 . . . . . 77 GLY N . 53289 4 135 . 1 . 1 78 78 ILE H H 1 8.260 0.005 . 1 . . . . . 78 ILE H . 53289 4 136 . 1 . 1 78 78 ILE N N 15 121.838 0.010 . 1 . . . . . 78 ILE N . 53289 4 137 . 1 . 1 79 79 THR H H 1 8.213 0.005 . 1 . . . . . 79 THR H . 53289 4 138 . 1 . 1 79 79 THR N N 15 119.358 0.010 . 1 . . . . . 79 THR N . 53289 4 139 . 1 . 1 80 80 ASP H H 1 7.945 0.005 . 1 . . . . . 80 ASP H . 53289 4 140 . 1 . 1 80 80 ASP N N 15 122.993 0.010 . 1 . . . . . 80 ASP N . 53289 4 141 . 1 . 1 81 81 LEU H H 1 8.391 0.005 . 1 . . . . . 81 LEU H . 53289 4 142 . 1 . 1 81 81 LEU N N 15 126.471 0.010 . 1 . . . . . 81 LEU N . 53289 4 143 . 1 . 1 82 82 ARG H H 1 8.418 0.005 . 1 . . . . . 82 ARG H . 53289 4 144 . 1 . 1 82 82 ARG N N 15 118.845 0.010 . 1 . . . . . 82 ARG N . 53289 4 145 . 1 . 1 83 83 GLY H H 1 8.257 0.005 . 1 . . . . . 83 GLY H . 53289 4 146 . 1 . 1 83 83 GLY N N 15 109.315 0.010 . 1 . . . . . 83 GLY N . 53289 4 147 . 1 . 1 84 84 MET H H 1 7.891 0.005 . 1 . . . . . 84 MET H . 53289 4 148 . 1 . 1 84 84 MET N N 15 123.762 0.010 . 1 . . . . . 84 MET N . 53289 4 149 . 1 . 1 85 85 LEU H H 1 8.277 0.005 . 1 . . . . . 85 LEU H . 53289 4 150 . 1 . 1 85 85 LEU N N 15 119.598 0.010 . 1 . . . . . 85 LEU N . 53289 4 151 . 1 . 1 86 86 LYS H H 1 7.744 0.005 . 1 . . . . . 86 LYS H . 53289 4 152 . 1 . 1 86 86 LYS N N 15 120.138 0.010 . 1 . . . . . 86 LYS N . 53289 4 153 . 1 . 1 87 87 ARG H H 1 7.627 0.005 . 1 . . . . . 87 ARG H . 53289 4 154 . 1 . 1 87 87 ARG N N 15 120.509 0.010 . 1 . . . . . 87 ARG N . 53289 4 155 . 1 . 1 88 88 LEU H H 1 8.234 0.005 . 1 . . . . . 88 LEU H . 53289 4 156 . 1 . 1 88 88 LEU N N 15 121.235 0.010 . 1 . . . . . 88 LEU N . 53289 4 157 . 1 . 1 89 89 LYS H H 1 7.909 0.005 . 1 . . . . . 89 LYS H . 53289 4 158 . 1 . 1 89 89 LYS N N 15 119.360 0.010 . 1 . . . . . 89 LYS N . 53289 4 159 . 1 . 1 90 90 ARG H H 1 7.589 0.005 . 1 . . . . . 90 ARG H . 53289 4 160 . 1 . 1 90 90 ARG N N 15 119.754 0.010 . 1 . . . . . 90 ARG N . 53289 4 161 . 1 . 1 91 91 MET H H 1 7.997 0.005 . 1 . . . . . 91 MET H . 53289 4 162 . 1 . 1 91 91 MET N N 15 120.075 0.010 . 1 . . . . . 91 MET N . 53289 4 163 . 1 . 1 92 92 ARG H H 1 8.013 0.005 . 1 . . . . . 92 ARG H . 53289 4 164 . 1 . 1 92 92 ARG N N 15 120.795 0.010 . 1 . . . . . 92 ARG N . 53289 4 165 . 1 . 1 93 93 ARG H H 1 8.010 0.005 . 1 . . . . . 93 ARG H . 53289 4 166 . 1 . 1 93 93 ARG N N 15 122.060 0.010 . 1 . . . . . 93 ARG N . 53289 4 167 . 1 . 1 94 94 GLU H H 1 8.265 0.005 . 1 . . . . . 94 GLU H . 53289 4 168 . 1 . 1 94 94 GLU N N 15 121.812 0.010 . 1 . . . . . 94 GLU N . 53289 4 169 . 1 . 1 95 95 GLU H H 1 8.182 0.005 . 1 . . . . . 95 GLU H . 53289 4 170 . 1 . 1 95 95 GLU N N 15 122.938 0.010 . 1 . . . . . 95 GLU N . 53289 4 171 . 1 . 1 96 96 LYS H H 1 8.184 0.005 . 1 . . . . . 96 LYS H . 53289 4 172 . 1 . 1 96 96 LYS N N 15 122.927 0.010 . 1 . . . . . 96 LYS N . 53289 4 173 . 1 . 1 97 97 LYS H H 1 8.223 0.005 . 1 . . . . . 97 LYS H . 53289 4 174 . 1 . 1 97 97 LYS N N 15 123.322 0.010 . 1 . . . . . 97 LYS N . 53289 4 175 . 1 . 1 98 98 SER H H 1 8.205 0.005 . 1 . . . . . 98 SER H . 53289 4 176 . 1 . 1 98 98 SER N N 15 117.588 0.010 . 1 . . . . . 98 SER N . 53289 4 177 . 1 . 1 99 99 ALA H H 1 8.232 0.005 . 1 . . . . . 99 ALA H . 53289 4 178 . 1 . 1 99 99 ALA N N 15 126.944 0.010 . 1 . . . . . 99 ALA N . 53289 4 179 . 1 . 1 100 100 ALA H H 1 8.027 0.005 . 1 . . . . . 100 ALA H . 53289 4 180 . 1 . 1 100 100 ALA N N 15 123.316 0.010 . 1 . . . . . 100 ALA N . 53289 4 181 . 1 . 1 101 101 PHE H H 1 7.892 0.005 . 1 . . . . . 101 PHE H . 53289 4 182 . 1 . 1 101 101 PHE N N 15 119.416 0.010 . 1 . . . . . 101 PHE N . 53289 4 183 . 1 . 1 102 102 ALA H H 1 7.978 0.005 . 1 . . . . . 102 ALA H . 53289 4 184 . 1 . 1 102 102 ALA N N 15 126.860 0.010 . 1 . . . . . 102 ALA N . 53289 4 185 . 1 . 1 103 103 LYS H H 1 7.744 0.005 . 1 . . . . . 103 LYS H . 53289 4 186 . 1 . 1 103 103 LYS N N 15 126.872 0.010 . 1 . . . . . 103 LYS N . 53289 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 53289 _Assigned_chem_shift_list.ID 5 _Assigned_chem_shift_list.Name 'sMyBP-C wild-type M-domain in 150 mM NaCl' _Assigned_chem_shift_list.Sample_condition_list_ID 5 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5 _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' . . . 53289 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 . . 53289 5 2 $software_2 . . 53289 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 8.376 0.005 . 1 . . . . . 8 GLU H . 53289 5 2 . 1 . 1 8 8 GLU N N 15 123.407 0.010 . 1 . . . . . 8 GLU N . 53289 5 3 . 1 . 1 9 9 SER H H 1 8.414 0.005 . 1 . . . . . 9 SER H . 53289 5 4 . 1 . 1 9 9 SER N N 15 117.973 0.010 . 1 . . . . . 9 SER N . 53289 5 5 . 1 . 1 10 10 THR H H 1 8.168 0.005 . 1 . . . . . 10 THR H . 53289 5 6 . 1 . 1 10 10 THR N N 15 116.375 0.010 . 1 . . . . . 10 THR N . 53289 5 7 . 1 . 1 11 11 GLY H H 1 8.348 0.005 . 1 . . . . . 11 GLY H . 53289 5 8 . 1 . 1 11 11 GLY N N 15 111.926 0.010 . 1 . . . . . 11 GLY N . 53289 5 9 . 1 . 1 12 12 THR H H 1 8.017 0.005 . 1 . . . . . 12 THR H . 53289 5 10 . 1 . 1 12 12 THR N N 15 114.311 0.010 . 1 . . . . . 12 THR N . 53289 5 11 . 1 . 1 13 13 THR H H 1 8.183 0.005 . 1 . . . . . 13 THR H . 53289 5 12 . 1 . 1 13 13 THR N N 15 119.894 0.010 . 1 . . . . . 13 THR N . 53289 5 13 . 1 . 1 15 15 ASN H H 1 8.429 0.005 . 1 . . . . . 15 ASN H . 53289 5 14 . 1 . 1 15 15 ASN N N 15 119.996 0.010 . 1 . . . . . 15 ASN N . 53289 5 15 . 1 . 1 16 16 ILE H H 1 7.956 0.005 . 1 . . . . . 16 ILE H . 53289 5 16 . 1 . 1 16 16 ILE N N 15 121.522 0.010 . 1 . . . . . 16 ILE N . 53289 5 17 . 1 . 1 17 17 ASP H H 1 8.314 0.005 . 1 . . . . . 17 ASP H . 53289 5 18 . 1 . 1 17 17 ASP N N 15 125.283 0.010 . 1 . . . . . 17 ASP N . 53289 5 19 . 1 . 1 18 18 ILE H H 1 8.059 0.005 . 1 . . . . . 18 ILE H . 53289 5 20 . 1 . 1 18 18 ILE N N 15 122.803 0.010 . 1 . . . . . 18 ILE N . 53289 5 21 . 1 . 1 19 19 ARG H H 1 8.262 0.005 . 1 . . . . . 19 ARG H . 53289 5 22 . 1 . 1 19 19 ARG N N 15 123.937 0.010 . 1 . . . . . 19 ARG N . 53289 5 23 . 1 . 1 20 20 SER H H 1 8.055 0.005 . 1 . . . . . 20 SER H . 53289 5 24 . 1 . 1 20 20 SER N N 15 116.698 0.010 . 1 . . . . . 20 SER N . 53289 5 25 . 1 . 1 21 21 ALA H H 1 8.078 0.005 . 1 . . . . . 21 ALA H . 53289 5 26 . 1 . 1 21 21 ALA N N 15 126.132 0.010 . 1 . . . . . 21 ALA N . 53289 5 27 . 1 . 1 22 22 PHE H H 1 7.929 0.005 . 1 . . . . . 22 PHE H . 53289 5 28 . 1 . 1 22 22 PHE N N 15 119.424 0.010 . 1 . . . . . 22 PHE N . 53289 5 29 . 1 . 1 23 23 LYS H H 1 7.995 0.005 . 1 . . . . . 23 LYS H . 53289 5 30 . 1 . 1 23 23 LYS N N 15 123.922 0.010 . 1 . . . . . 23 LYS N . 53289 5 31 . 1 . 1 24 24 ARG H H 1 8.311 0.005 . 1 . . . . . 24 ARG H . 53289 5 32 . 1 . 1 24 24 ARG N N 15 123.707 0.010 . 1 . . . . . 24 ARG N . 53289 5 33 . 1 . 1 25 25 SER H H 1 8.357 0.005 . 1 . . . . . 25 SER H . 53289 5 34 . 1 . 1 25 25 SER N N 15 118.103 0.010 . 1 . . . . . 25 SER N . 53289 5 35 . 1 . 1 26 26 GLY H H 1 8.410 0.005 . 1 . . . . . 26 GLY H . 53289 5 36 . 1 . 1 26 26 GLY N N 15 111.964 0.010 . 1 . . . . . 26 GLY N . 53289 5 37 . 1 . 1 27 27 GLU H H 1 8.210 0.005 . 1 . . . . . 27 GLU H . 53289 5 38 . 1 . 1 27 27 GLU N N 15 121.312 0.010 . 1 . . . . . 27 GLU N . 53289 5 39 . 1 . 1 28 28 GLY H H 1 8.522 0.005 . 1 . . . . . 28 GLY H . 53289 5 40 . 1 . 1 28 28 GLY N N 15 111.274 0.010 . 1 . . . . . 28 GLY N . 53289 5 41 . 1 . 1 29 29 GLN H H 1 8.153 0.005 . 1 . . . . . 29 GLN H . 53289 5 42 . 1 . 1 29 29 GLN N N 15 120.483 0.010 . 1 . . . . . 29 GLN N . 53289 5 43 . 1 . 1 30 30 GLU H H 1 8.567 0.005 . 1 . . . . . 30 GLU H . 53289 5 44 . 1 . 1 30 30 GLU N N 15 122.927 0.010 . 1 . . . . . 30 GLU N . 53289 5 45 . 1 . 1 31 31 ASP H H 1 8.319 0.005 . 1 . . . . . 31 ASP H . 53289 5 46 . 1 . 1 31 31 ASP N N 15 122.219 0.010 . 1 . . . . . 31 ASP N . 53289 5 47 . 1 . 1 32 32 ALA H H 1 8.223 0.005 . 1 . . . . . 32 ALA H . 53289 5 48 . 1 . 1 32 32 ALA N N 15 125.768 0.010 . 1 . . . . . 32 ALA N . 53289 5 49 . 1 . 1 33 33 GLY H H 1 8.331 0.005 . 1 . . . . . 33 GLY H . 53289 5 50 . 1 . 1 33 33 GLY N N 15 108.616 0.010 . 1 . . . . . 33 GLY N . 53289 5 51 . 1 . 1 34 34 GLU H H 1 8.176 0.005 . 1 . . . . . 34 GLU H . 53289 5 52 . 1 . 1 34 34 GLU N N 15 121.214 0.010 . 1 . . . . . 34 GLU N . 53289 5 53 . 1 . 1 35 35 LEU H H 1 8.118 0.005 . 1 . . . . . 35 LEU H . 53289 5 54 . 1 . 1 35 35 LEU N N 15 123.323 0.010 . 1 . . . . . 35 LEU N . 53289 5 55 . 1 . 1 36 36 ASP H H 1 8.121 0.005 . 1 . . . . . 36 ASP H . 53289 5 56 . 1 . 1 36 36 ASP N N 15 121.589 0.010 . 1 . . . . . 36 ASP N . 53289 5 57 . 1 . 1 37 37 PHE H H 1 8.271 0.005 . 1 . . . . . 37 PHE H . 53289 5 58 . 1 . 1 37 37 PHE N N 15 122.758 0.010 . 1 . . . . . 37 PHE N . 53289 5 59 . 1 . 1 38 38 SER H H 1 8.310 0.005 . 1 . . . . . 38 SER H . 53289 5 60 . 1 . 1 38 38 SER N N 15 117.488 0.010 . 1 . . . . . 38 SER N . 53289 5 61 . 1 . 1 39 39 GLY H H 1 8.105 0.005 . 1 . . . . . 39 GLY H . 53289 5 62 . 1 . 1 39 39 GLY N N 15 111.358 0.010 . 1 . . . . . 39 GLY N . 53289 5 63 . 1 . 1 40 40 LEU H H 1 7.846 0.005 . 1 . . . . . 40 LEU H . 53289 5 64 . 1 . 1 40 40 LEU N N 15 122.180 0.010 . 1 . . . . . 40 LEU N . 53289 5 65 . 1 . 1 41 41 LEU H H 1 7.979 0.005 . 1 . . . . . 41 LEU H . 53289 5 66 . 1 . 1 41 41 LEU N N 15 121.749 0.010 . 1 . . . . . 41 LEU N . 53289 5 67 . 1 . 1 42 42 LYS H H 1 8.001 0.005 . 1 . . . . . 42 LYS H . 53289 5 68 . 1 . 1 42 42 LYS N N 15 122.278 0.010 . 1 . . . . . 42 LYS N . 53289 5 69 . 1 . 1 43 43 ARG H H 1 8.135 0.005 . 1 . . . . . 43 ARG H . 53289 5 70 . 1 . 1 43 43 ARG N N 15 122.690 0.010 . 1 . . . . . 43 ARG N . 53289 5 71 . 1 . 1 44 44 ARG H H 1 8.248 0.005 . 1 . . . . . 44 ARG H . 53289 5 72 . 1 . 1 44 44 ARG N N 15 123.154 0.010 . 1 . . . . . 44 ARG N . 53289 5 73 . 1 . 1 45 45 GLU H H 1 8.368 0.005 . 1 . . . . . 45 GLU H . 53289 5 74 . 1 . 1 45 45 GLU N N 15 123.251 0.010 . 1 . . . . . 45 GLU N . 53289 5 75 . 1 . 1 46 46 VAL H H 1 8.096 0.005 . 1 . . . . . 46 VAL H . 53289 5 76 . 1 . 1 46 46 VAL N N 15 122.549 0.010 . 1 . . . . . 46 VAL N . 53289 5 77 . 1 . 1 47 47 LYS H H 1 8.338 0.005 . 1 . . . . . 47 LYS H . 53289 5 78 . 1 . 1 47 47 LYS N N 15 126.142 0.010 . 1 . . . . . 47 LYS N . 53289 5 79 . 1 . 1 48 48 GLN H H 1 8.392 0.005 . 1 . . . . . 48 GLN H . 53289 5 80 . 1 . 1 48 48 GLN N N 15 122.917 0.010 . 1 . . . . . 48 GLN N . 53289 5 81 . 1 . 1 49 49 GLN H H 1 8.381 0.005 . 1 . . . . . 49 GLN H . 53289 5 82 . 1 . 1 49 49 GLN N N 15 122.284 0.010 . 1 . . . . . 49 GLN N . 53289 5 83 . 1 . 1 50 50 GLU H H 1 8.415 0.005 . 1 . . . . . 50 GLU H . 53289 5 84 . 1 . 1 50 50 GLU N N 15 122.809 0.010 . 1 . . . . . 50 GLU N . 53289 5 85 . 1 . 1 51 51 GLU H H 1 8.324 0.005 . 1 . . . . . 51 GLU H . 53289 5 86 . 1 . 1 51 51 GLU N N 15 122.290 0.010 . 1 . . . . . 51 GLU N . 53289 5 87 . 1 . 1 52 52 GLU H H 1 8.338 0.005 . 1 . . . . . 52 GLU H . 53289 5 88 . 1 . 1 52 52 GLU N N 15 124.237 0.010 . 1 . . . . . 52 GLU N . 53289 5 89 . 1 . 1 54 54 GLN H H 1 8.504 0.005 . 1 . . . . . 54 GLN H . 53289 5 90 . 1 . 1 54 54 GLN N N 15 122.016 0.010 . 1 . . . . . 54 GLN N . 53289 5 91 . 1 . 1 55 55 VAL H H 1 8.076 0.005 . 1 . . . . . 55 VAL H . 53289 5 92 . 1 . 1 55 55 VAL N N 15 122.250 0.010 . 1 . . . . . 55 VAL N . 53289 5 93 . 1 . 1 56 56 ASP H H 1 8.356 0.005 . 1 . . . . . 56 ASP H . 53289 5 94 . 1 . 1 56 56 ASP N N 15 125.671 0.010 . 1 . . . . . 56 ASP N . 53289 5 95 . 1 . 1 57 57 VAL H H 1 8.145 0.005 . 1 . . . . . 57 VAL H . 53289 5 96 . 1 . 1 57 57 VAL N N 15 124.869 0.010 . 1 . . . . . 57 VAL N . 53289 5 97 . 1 . 1 58 58 TRP H H 1 7.578 0.005 . 1 . . . . . 58 TRP H . 53289 5 98 . 1 . 1 58 58 TRP N N 15 122.049 0.010 . 1 . . . . . 58 TRP N . 53289 5 99 . 1 . 1 59 59 GLU H H 1 7.510 0.005 . 1 . . . . . 59 GLU H . 53289 5 100 . 1 . 1 59 59 GLU N N 15 119.420 0.010 . 1 . . . . . 59 GLU N . 53289 5 101 . 1 . 1 60 60 LEU H H 1 7.377 0.005 . 1 . . . . . 60 LEU H . 53289 5 102 . 1 . 1 60 60 LEU N N 15 119.155 0.010 . 1 . . . . . 60 LEU N . 53289 5 103 . 1 . 1 61 61 LEU H H 1 8.047 0.005 . 1 . . . . . 61 LEU H . 53289 5 104 . 1 . 1 61 61 LEU N N 15 118.918 0.010 . 1 . . . . . 61 LEU N . 53289 5 105 . 1 . 1 62 62 LYS H H 1 7.931 0.005 . 1 . . . . . 62 LYS H . 53289 5 106 . 1 . 1 62 62 LYS N N 15 119.343 0.010 . 1 . . . . . 62 LYS N . 53289 5 107 . 1 . 1 63 63 ASN H H 1 7.261 0.005 . 1 . . . . . 63 ASN H . 53289 5 108 . 1 . 1 63 63 ASN N N 15 114.625 0.010 . 1 . . . . . 63 ASN N . 53289 5 109 . 1 . 1 64 64 ALA H H 1 7.373 0.005 . 1 . . . . . 64 ALA H . 53289 5 110 . 1 . 1 64 64 ALA N N 15 124.572 0.010 . 1 . . . . . 64 ALA N . 53289 5 111 . 1 . 1 65 65 LYS H H 1 8.584 0.005 . 1 . . . . . 65 LYS H . 53289 5 112 . 1 . 1 65 65 LYS N N 15 122.379 0.010 . 1 . . . . . 65 LYS N . 53289 5 113 . 1 . 1 67 67 SER H H 1 7.606 0.005 . 1 . . . . . 67 SER H . 53289 5 114 . 1 . 1 67 67 SER N N 15 111.426 0.010 . 1 . . . . . 67 SER N . 53289 5 115 . 1 . 1 68 68 GLU H H 1 8.242 0.005 . 1 . . . . . 68 GLU H . 53289 5 116 . 1 . 1 68 68 GLU N N 15 121.277 0.010 . 1 . . . . . 68 GLU N . 53289 5 117 . 1 . 1 69 69 TYR H H 1 7.280 0.005 . 1 . . . . . 69 TYR H . 53289 5 118 . 1 . 1 69 69 TYR N N 15 118.874 0.010 . 1 . . . . . 69 TYR N . 53289 5 119 . 1 . 1 70 70 GLU H H 1 8.672 0.005 . 1 . . . . . 70 GLU H . 53289 5 120 . 1 . 1 70 70 GLU N N 15 117.882 0.010 . 1 . . . . . 70 GLU N . 53289 5 121 . 1 . 1 71 71 LYS H H 1 7.875 0.005 . 1 . . . . . 71 LYS H . 53289 5 122 . 1 . 1 71 71 LYS N N 15 121.742 0.010 . 1 . . . . . 71 LYS N . 53289 5 123 . 1 . 1 72 72 ILE H H 1 7.999 0.005 . 1 . . . . . 72 ILE H . 53289 5 124 . 1 . 1 72 72 ILE N N 15 122.123 0.010 . 1 . . . . . 72 ILE N . 53289 5 125 . 1 . 1 73 73 ALA H H 1 8.481 0.005 . 1 . . . . . 73 ALA H . 53289 5 126 . 1 . 1 73 73 ALA N N 15 121.643 0.010 . 1 . . . . . 73 ALA N . 53289 5 127 . 1 . 1 74 74 PHE H H 1 8.120 0.005 . 1 . . . . . 74 PHE H . 53289 5 128 . 1 . 1 74 74 PHE N N 15 117.791 0.010 . 1 . . . . . 74 PHE N . 53289 5 129 . 1 . 1 75 75 GLN H H 1 8.165 0.005 . 1 . . . . . 75 GLN H . 53289 5 130 . 1 . 1 75 75 GLN N N 15 120.857 0.010 . 1 . . . . . 75 GLN N . 53289 5 131 . 1 . 1 76 76 TYR H H 1 7.713 0.005 . 1 . . . . . 76 TYR H . 53289 5 132 . 1 . 1 76 76 TYR N N 15 114.856 0.010 . 1 . . . . . 76 TYR N . 53289 5 133 . 1 . 1 77 77 GLY H H 1 7.515 0.005 . 1 . . . . . 77 GLY H . 53289 5 134 . 1 . 1 77 77 GLY N N 15 110.240 0.010 . 1 . . . . . 77 GLY N . 53289 5 135 . 1 . 1 78 78 ILE H H 1 8.265 0.005 . 1 . . . . . 78 ILE H . 53289 5 136 . 1 . 1 78 78 ILE N N 15 121.874 0.010 . 1 . . . . . 78 ILE N . 53289 5 137 . 1 . 1 79 79 THR H H 1 8.213 0.005 . 1 . . . . . 79 THR H . 53289 5 138 . 1 . 1 79 79 THR N N 15 119.376 0.010 . 1 . . . . . 79 THR N . 53289 5 139 . 1 . 1 80 80 ASP H H 1 7.946 0.005 . 1 . . . . . 80 ASP H . 53289 5 140 . 1 . 1 80 80 ASP N N 15 122.998 0.010 . 1 . . . . . 80 ASP N . 53289 5 141 . 1 . 1 81 81 LEU H H 1 8.387 0.005 . 1 . . . . . 81 LEU H . 53289 5 142 . 1 . 1 81 81 LEU N N 15 126.501 0.010 . 1 . . . . . 81 LEU N . 53289 5 143 . 1 . 1 82 82 ARG H H 1 8.416 0.005 . 1 . . . . . 82 ARG H . 53289 5 144 . 1 . 1 82 82 ARG N N 15 118.863 0.010 . 1 . . . . . 82 ARG N . 53289 5 145 . 1 . 1 83 83 GLY H H 1 8.259 0.005 . 1 . . . . . 83 GLY H . 53289 5 146 . 1 . 1 83 83 GLY N N 15 109.324 0.010 . 1 . . . . . 83 GLY N . 53289 5 147 . 1 . 1 84 84 MET H H 1 7.889 0.005 . 1 . . . . . 84 MET H . 53289 5 148 . 1 . 1 84 84 MET N N 15 123.778 0.010 . 1 . . . . . 84 MET N . 53289 5 149 . 1 . 1 85 85 LEU H H 1 8.279 0.005 . 1 . . . . . 85 LEU H . 53289 5 150 . 1 . 1 85 85 LEU N N 15 119.605 0.010 . 1 . . . . . 85 LEU N . 53289 5 151 . 1 . 1 86 86 LYS H H 1 7.747 0.005 . 1 . . . . . 86 LYS H . 53289 5 152 . 1 . 1 86 86 LYS N N 15 120.171 0.010 . 1 . . . . . 86 LYS N . 53289 5 153 . 1 . 1 87 87 ARG H H 1 7.630 0.005 . 1 . . . . . 87 ARG H . 53289 5 154 . 1 . 1 87 87 ARG N N 15 120.546 0.010 . 1 . . . . . 87 ARG N . 53289 5 155 . 1 . 1 88 88 LEU H H 1 8.245 0.005 . 1 . . . . . 88 LEU H . 53289 5 156 . 1 . 1 88 88 LEU N N 15 121.257 0.010 . 1 . . . . . 88 LEU N . 53289 5 157 . 1 . 1 89 89 LYS H H 1 7.915 0.005 . 1 . . . . . 89 LYS H . 53289 5 158 . 1 . 1 89 89 LYS N N 15 119.352 0.010 . 1 . . . . . 89 LYS N . 53289 5 159 . 1 . 1 90 90 ARG H H 1 7.589 0.005 . 1 . . . . . 90 ARG H . 53289 5 160 . 1 . 1 90 90 ARG N N 15 119.758 0.010 . 1 . . . . . 90 ARG N . 53289 5 161 . 1 . 1 91 91 MET H H 1 8.004 0.005 . 1 . . . . . 91 MET H . 53289 5 162 . 1 . 1 91 91 MET N N 15 120.056 0.010 . 1 . . . . . 91 MET N . 53289 5 163 . 1 . 1 92 92 ARG H H 1 8.013 0.005 . 1 . . . . . 92 ARG H . 53289 5 164 . 1 . 1 92 92 ARG N N 15 120.728 0.010 . 1 . . . . . 92 ARG N . 53289 5 165 . 1 . 1 93 93 ARG H H 1 7.995 0.005 . 1 . . . . . 93 ARG H . 53289 5 166 . 1 . 1 93 93 ARG N N 15 121.981 0.010 . 1 . . . . . 93 ARG N . 53289 5 167 . 1 . 1 94 94 GLU H H 1 8.258 0.005 . 1 . . . . . 94 GLU H . 53289 5 168 . 1 . 1 94 94 GLU N N 15 121.767 0.010 . 1 . . . . . 94 GLU N . 53289 5 169 . 1 . 1 95 95 GLU H H 1 8.175 0.005 . 1 . . . . . 95 GLU H . 53289 5 170 . 1 . 1 95 95 GLU N N 15 122.908 0.010 . 1 . . . . . 95 GLU N . 53289 5 171 . 1 . 1 96 96 LYS H H 1 8.175 0.005 . 1 . . . . . 96 LYS H . 53289 5 172 . 1 . 1 96 96 LYS N N 15 122.830 0.010 . 1 . . . . . 96 LYS N . 53289 5 173 . 1 . 1 97 97 LYS H H 1 8.217 0.005 . 1 . . . . . 97 LYS H . 53289 5 174 . 1 . 1 97 97 LYS N N 15 123.280 0.010 . 1 . . . . . 97 LYS N . 53289 5 175 . 1 . 1 98 98 SER H H 1 8.202 0.005 . 1 . . . . . 98 SER H . 53289 5 176 . 1 . 1 98 98 SER N N 15 117.541 0.010 . 1 . . . . . 98 SER N . 53289 5 177 . 1 . 1 99 99 ALA H H 1 8.227 0.005 . 1 . . . . . 99 ALA H . 53289 5 178 . 1 . 1 99 99 ALA N N 15 126.938 0.010 . 1 . . . . . 99 ALA N . 53289 5 179 . 1 . 1 100 100 ALA H H 1 8.025 0.005 . 1 . . . . . 100 ALA H . 53289 5 180 . 1 . 1 100 100 ALA N N 15 123.307 0.010 . 1 . . . . . 100 ALA N . 53289 5 181 . 1 . 1 101 101 PHE H H 1 7.889 0.005 . 1 . . . . . 101 PHE H . 53289 5 182 . 1 . 1 101 101 PHE N N 15 119.414 0.010 . 1 . . . . . 101 PHE N . 53289 5 183 . 1 . 1 102 102 ALA H H 1 7.978 0.005 . 1 . . . . . 102 ALA H . 53289 5 184 . 1 . 1 102 102 ALA N N 15 126.852 0.010 . 1 . . . . . 102 ALA N . 53289 5 185 . 1 . 1 103 103 LYS H H 1 7.745 0.005 . 1 . . . . . 103 LYS H . 53289 5 186 . 1 . 1 103 103 LYS N N 15 126.883 0.010 . 1 . . . . . 103 LYS N . 53289 5 stop_ save_