################################### # 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 50199 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'VAMP2(1-96) in HEK-293T Cells' _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' . . . 50199 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 2 $software_2 . . 50199 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET H H 1 8.356 . . . . . . . . 1 M HN . 50199 1 2 . 1 . 1 1 1 MET N N 15 121.699 . . . . . . . . 1 M N . 50199 1 3 . 1 . 1 2 2 SER H H 1 8.352 . . . . . . . . 2 S HN . 50199 1 4 . 1 . 1 2 2 SER N N 15 117.367 . . . . . . . . 2 S N . 50199 1 5 . 1 . 1 3 3 ALA H H 1 8.431 . . . . . . . . 3 A HN . 50199 1 6 . 1 . 1 3 3 ALA N N 15 126.314 . . . . . . . . 3 A N . 50199 1 7 . 1 . 1 4 4 THR H H 1 8.081 . . . . . . . . 4 T HN . 50199 1 8 . 1 . 1 4 4 THR N N 15 113.026 . . . . . . . . 4 T N . 50199 1 9 . 1 . 1 5 5 ALA H H 1 8.208 . . . . . . . . 5 A HN . 50199 1 10 . 1 . 1 5 5 ALA N N 15 126.552 . . . . . . . . 5 A N . 50199 1 11 . 1 . 1 6 6 ALA H H 1 8.238 . . . . . . . . 6 A HN . 50199 1 12 . 1 . 1 6 6 ALA N N 15 123.307 . . . . . . . . 6 A N . 50199 1 13 . 1 . 1 7 7 THR H H 1 8.114 . . . . . . . . 7 T HN . 50199 1 14 . 1 . 1 7 7 THR N N 15 114.014 . . . . . . . . 7 T N . 50199 1 15 . 1 . 1 8 8 VAL H H 1 8.148 . . . . . . . . 8 V HN . 50199 1 16 . 1 . 1 8 8 VAL N N 15 124.416 . . . . . . . . 8 V N . 50199 1 17 . 1 . 1 11 11 ALA H H 1 8.282 . . . . . . . . 11 A HN . 50199 1 18 . 1 . 1 11 11 ALA N N 15 124.408 . . . . . . . . 11 A N . 50199 1 19 . 1 . 1 12 12 ALA H H 1 8.255 . . . . . . . . 12 A HN . 50199 1 20 . 1 . 1 12 12 ALA N N 15 124.809 . . . . . . . . 12 A N . 50199 1 21 . 1 . 1 14 14 ALA H H 1 8.442 . . . . . . . . 14 A HN . 50199 1 22 . 1 . 1 14 14 ALA N N 15 124.649 . . . . . . . . 14 A N . 50199 1 23 . 1 . 1 15 15 GLY H H 1 8.346 . . . . . . . . 15 G HN . 50199 1 24 . 1 . 1 15 15 GLY N N 15 108.311 . . . . . . . . 15 G N . 50199 1 25 . 1 . 1 16 16 GLU H H 1 8.312 . . . . . . . . 16 E HN . 50199 1 26 . 1 . 1 16 16 GLU N N 15 120.603 . . . . . . . . 16 E N . 50199 1 27 . 1 . 1 17 17 GLY H H 1 8.511 . . . . . . . . 17 G HN . 50199 1 28 . 1 . 1 17 17 GLY N N 15 110.091 . . . . . . . . 17 G N . 50199 1 29 . 1 . 1 18 18 GLY H H 1 8.089 . . . . . . . . 18 G HN . 50199 1 30 . 1 . 1 18 18 GLY N N 15 108.955 . . . . . . . . 18 G N . 50199 1 31 . 1 . 1 21 21 ALA H H 1 8.331 . . . . . . . . 21 A HN . 50199 1 32 . 1 . 1 21 21 ALA N N 15 125.588 . . . . . . . . 21 A N . 50199 1 33 . 1 . 1 25 25 ASN H H 1 8.448 . . . . . . . . 25 N HN . 50199 1 34 . 1 . 1 25 25 ASN N N 15 118.036 . . . . . . . . 25 N N . 50199 1 35 . 1 . 1 26 26 LEU H H 1 8.250 . . . . . . . . 26 L HN . 50199 1 36 . 1 . 1 26 26 LEU N N 15 122.902 . . . . . . . . 26 L N . 50199 1 37 . 1 . 1 27 27 THR H H 1 8.127 . . . . . . . . 27 T HN . 50199 1 38 . 1 . 1 27 27 THR N N 15 113.796 . . . . . . . . 27 T N . 50199 1 39 . 1 . 1 28 28 SER H H 1 8.233 . . . . . . . . 28 S HN . 50199 1 40 . 1 . 1 28 28 SER N N 15 117.526 . . . . . . . . 28 S N . 50199 1 41 . 1 . 1 29 29 ASN H H 1 8.401 . . . . . . . . 29 N HN . 50199 1 42 . 1 . 1 29 29 ASN N N 15 120.821 . . . . . . . . 29 N N . 50199 1 43 . 1 . 1 30 30 ARG H H 1 8.220 . . . . . . . . 30 R HN . 50199 1 44 . 1 . 1 30 30 ARG N N 15 121.319 . . . . . . . . 30 R N . 50199 1 45 . 1 . 1 31 31 ARG H H 1 8.289 . . . . . . . . 31 R HN . 50199 1 46 . 1 . 1 31 31 ARG N N 15 121.630 . . . . . . . . 31 R N . 50199 1 47 . 1 . 1 32 32 LEU H H 1 8.197 . . . . . . . . 32 L HN . 50199 1 48 . 1 . 1 32 32 LEU N N 15 122.766 . . . . . . . . 32 L N . 50199 1 49 . 1 . 1 33 33 GLN H H 1 8.278 . . . . . . . . 33 Q HN . 50199 1 50 . 1 . 1 33 33 GLN N N 15 120.683 . . . . . . . . 33 Q N . 50199 1 51 . 1 . 1 34 34 GLN H H 1 8.392 . . . . . . . . 34 Q HN . 50199 1 52 . 1 . 1 34 34 GLN N N 15 121.455 . . . . . . . . 34 Q N . 50199 1 53 . 1 . 1 35 35 THR H H 1 8.210 . . . . . . . . 35 T HN . 50199 1 54 . 1 . 1 35 35 THR N N 15 115.275 . . . . . . . . 35 T N . 50199 1 55 . 1 . 1 36 36 GLN H H 1 8.394 . . . . . . . . 36 Q HN . 50199 1 56 . 1 . 1 36 36 GLN N N 15 122.554 . . . . . . . . 36 Q N . 50199 1 57 . 1 . 1 37 37 ALA H H 1 8.310 . . . . . . . . 37 A HN . 50199 1 58 . 1 . 1 37 37 ALA N N 15 125.109 . . . . . . . . 37 A N . 50199 1 59 . 1 . 1 38 38 GLN H H 1 8.323 . . . . . . . . 38 Q HN . 50199 1 60 . 1 . 1 38 38 GLN N N 15 119.959 . . . . . . . . 38 Q N . 50199 1 61 . 1 . 1 39 39 VAL H H 1 8.176 . . . . . . . . 39 V HN . 50199 1 62 . 1 . 1 39 39 VAL N N 15 121.299 . . . . . . . . 39 V N . 50199 1 63 . 1 . 1 40 40 ASP H H 1 8.363 . . . . . . . . 40 D HN . 50199 1 64 . 1 . 1 40 40 ASP N N 15 123.572 . . . . . . . . 40 D N . 50199 1 65 . 1 . 1 41 41 GLU H H 1 8.227 . . . . . . . . 41 E HN . 50199 1 66 . 1 . 1 41 41 GLU N N 15 121.150 . . . . . . . . 41 E N . 50199 1 67 . 1 . 1 42 42 VAL H H 1 8.213 . . . . . . . . 42 V HN . 50199 1 68 . 1 . 1 42 42 VAL N N 15 122.065 . . . . . . . . 42 V N . 50199 1 69 . 1 . 1 43 43 VAL H H 1 8.170 . . . . . . . . 43 V HN . 50199 1 70 . 1 . 1 43 43 VAL N N 15 124.180 . . . . . . . . 43 V N . 50199 1 71 . 1 . 1 44 44 ASP H H 1 8.329 . . . . . . . . 44 D HN . 50199 1 72 . 1 . 1 44 44 ASP N N 15 124.373 . . . . . . . . 44 D N . 50199 1 73 . 1 . 1 45 45 ILE H H 1 8.090 . . . . . . . . 45 I HN . 50199 1 74 . 1 . 1 45 45 ILE N N 15 121.335 . . . . . . . . 45 I N . 50199 1 75 . 1 . 1 46 46 MET H H 1 8.368 . . . . . . . . 46 M HN . 50199 1 76 . 1 . 1 46 46 MET N N 15 122.504 . . . . . . . . 46 M N . 50199 1 77 . 1 . 1 47 47 ARG H H 1 8.085 . . . . . . . . 47 R HN . 50199 1 78 . 1 . 1 47 47 ARG N N 15 121.825 . . . . . . . . 47 R N . 50199 1 79 . 1 . 1 48 48 VAL H H 1 8.029 . . . . . . . . 48 V HN . 50199 1 80 . 1 . 1 48 48 VAL N N 15 120.431 . . . . . . . . 48 V N . 50199 1 81 . 1 . 1 49 49 ASN H H 1 8.512 . . . . . . . . 49 N HN . 50199 1 82 . 1 . 1 49 49 ASN N N 15 122.418 . . . . . . . . 49 N N . 50199 1 83 . 1 . 1 50 50 VAL H H 1 8.077 . . . . . . . . 50 V HN . 50199 1 84 . 1 . 1 50 50 VAL N N 15 120.286 . . . . . . . . 50 V N . 50199 1 85 . 1 . 1 51 51 ASP H H 1 8.321 . . . . . . . . 51 D HN . 50199 1 86 . 1 . 1 51 51 ASP N N 15 123.035 . . . . . . . . 51 D N . 50199 1 87 . 1 . 1 52 52 LYS H H 1 8.094 . . . . . . . . 52 K HN . 50199 1 88 . 1 . 1 52 52 LYS N N 15 121.529 . . . . . . . . 52 K N . 50199 1 89 . 1 . 1 53 53 VAL H H 1 8.058 . . . . . . . . 53 V HN . 50199 1 90 . 1 . 1 53 53 VAL N N 15 121.687 . . . . . . . . 53 V N . 50199 1 91 . 1 . 1 54 54 LEU H H 1 8.250 . . . . . . . . 54 L HN . 50199 1 92 . 1 . 1 54 54 LEU N N 15 125.248 . . . . . . . . 54 L N . 50199 1 93 . 1 . 1 55 55 GLU H H 1 8.311 . . . . . . . . 55 E HN . 50199 1 94 . 1 . 1 55 55 GLU N N 15 121.634 . . . . . . . . 55 E N . 50199 1 95 . 1 . 1 56 56 ARG H H 1 8.250 . . . . . . . . 56 R HN . 50199 1 96 . 1 . 1 56 56 ARG N N 15 121.547 . . . . . . . . 56 R N . 50199 1 97 . 1 . 1 57 57 ASP H H 1 8.331 . . . . . . . . 57 D HN . 50199 1 98 . 1 . 1 57 57 ASP N N 15 120.817 . . . . . . . . 57 D N . 50199 1 99 . 1 . 1 58 58 GLN H H 1 8.262 . . . . . . . . 58 Q HN . 50199 1 100 . 1 . 1 58 58 GLN N N 15 121.191 . . . . . . . . 58 Q N . 50199 1 101 . 1 . 1 59 59 LYS H H 1 8.333 . . . . . . . . 59 K HN . 50199 1 102 . 1 . 1 59 59 LYS N N 15 121.748 . . . . . . . . 59 K N . 50199 1 103 . 1 . 1 60 60 LEU H H 1 8.206 . . . . . . . . 60 L HN . 50199 1 104 . 1 . 1 60 60 LEU N N 15 122.761 . . . . . . . . 60 L N . 50199 1 105 . 1 . 1 61 61 SER H H 1 8.241 . . . . . . . . 61 S HN . 50199 1 106 . 1 . 1 61 61 SER N N 15 115.903 . . . . . . . . 61 S N . 50199 1 107 . 1 . 1 62 62 GLU H H 1 8.368 . . . . . . . . 62 E HN . 50199 1 108 . 1 . 1 62 62 GLU N N 15 122.454 . . . . . . . . 62 E N . 50199 1 109 . 1 . 1 63 63 LEU H H 1 8.060 . . . . . . . . 63 L HN . 50199 1 110 . 1 . 1 63 63 LEU N N 15 121.436 . . . . . . . . 63 L N . 50199 1 111 . 1 . 1 64 64 ASP H H 1 8.147 . . . . . . . . 64 D HN . 50199 1 112 . 1 . 1 64 64 ASP N N 15 120.980 . . . . . . . . 64 D N . 50199 1 113 . 1 . 1 65 65 ASP H H 1 8.266 . . . . . . . . 65 D HN . 50199 1 114 . 1 . 1 65 65 ASP N N 15 121.337 . . . . . . . . 65 D N . 50199 1 115 . 1 . 1 66 66 ARG H H 1 8.188 . . . . . . . . 66 R HN . 50199 1 116 . 1 . 1 66 66 ARG N N 15 120.705 . . . . . . . . 66 R N . 50199 1 117 . 1 . 1 67 67 ALA H H 1 8.230 . . . . . . . . 67 A HN . 50199 1 118 . 1 . 1 67 67 ALA N N 15 124.223 . . . . . . . . 67 A N . 50199 1 119 . 1 . 1 68 68 ASP H H 1 8.249 . . . . . . . . 68 D HN . 50199 1 120 . 1 . 1 68 68 ASP N N 15 118.823 . . . . . . . . 68 D N . 50199 1 121 . 1 . 1 69 69 ALA H H 1 8.066 . . . . . . . . 69 A HN . 50199 1 122 . 1 . 1 69 69 ALA N N 15 123.610 . . . . . . . . 69 A N . 50199 1 123 . 1 . 1 70 70 LEU H H 1 8.079 . . . . . . . . 70 L HN . 50199 1 124 . 1 . 1 70 70 LEU N N 15 120.058 . . . . . . . . 70 L N . 50199 1 125 . 1 . 1 71 71 GLN H H 1 8.110 . . . . . . . . 71 Q HN . 50199 1 126 . 1 . 1 71 71 GLN N N 15 120.134 . . . . . . . . 71 Q N . 50199 1 127 . 1 . 1 72 72 ALA H H 1 8.236 . . . . . . . . 72 A HN . 50199 1 128 . 1 . 1 72 72 ALA N N 15 124.740 . . . . . . . . 72 A N . 50199 1 129 . 1 . 1 73 73 GLY H H 1 8.301 . . . . . . . . 73 G HN . 50199 1 130 . 1 . 1 73 73 GLY N N 15 108.204 . . . . . . . . 73 G N . 50199 1 131 . 1 . 1 74 74 ALA H H 1 8.066 . . . . . . . . 74 A HN . 50199 1 132 . 1 . 1 74 74 ALA N N 15 123.617 . . . . . . . . 74 A N . 50199 1 133 . 1 . 1 75 75 SER H H 1 8.343 . . . . . . . . 75 S HN . 50199 1 134 . 1 . 1 75 75 SER N N 15 114.944 . . . . . . . . 75 S N . 50199 1 135 . 1 . 1 76 76 GLN H H 1 8.335 . . . . . . . . 76 Q HN . 50199 1 136 . 1 . 1 76 76 GLN N N 15 121.967 . . . . . . . . 76 Q N . 50199 1 137 . 1 . 1 77 77 PHE H H 1 8.100 . . . . . . . . 77 F HN . 50199 1 138 . 1 . 1 77 77 PHE N N 15 119.970 . . . . . . . . 77 F N . 50199 1 stop_ save_