################################### # 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 50466 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Backbone 1H and 15N Chemical Shift Assignments for NEDD8' _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' . . . 50466 1 2 '3D 1H-15N NOESY' . . . 50466 1 3 '3D 1H-15N TOCSY' . . . 50466 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 3 $software_3 . . 50466 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 2 2 LEU H H 1 8.80571 . . 1 . . . . . 2 LEU H . 50466 1 2 . 1 . 1 2 2 LEU N N 15 128.05186 . . 1 . . . . . 2 LEU N . 50466 1 3 . 1 . 1 3 3 ILE H H 1 8.95823 . . 1 . . . . . 3 ILE H . 50466 1 4 . 1 . 1 3 3 ILE N N 15 120.58243 . . 1 . . . . . 3 ILE N . 50466 1 5 . 1 . 1 4 4 LYS H H 1 8.44980 . . 1 . . . . . 4 LYS H . 50466 1 6 . 1 . 1 4 4 LYS N N 15 118.38564 . . 1 . . . . . 4 LYS N . 50466 1 7 . 1 . 1 5 5 VAL H H 1 8.94551 . . 1 . . . . . 5 VAL H . 50466 1 8 . 1 . 1 5 5 VAL N N 15 121.54906 . . 1 . . . . . 5 VAL N . 50466 1 9 . 1 . 1 6 6 LYS H H 1 9.03448 . . 1 . . . . . 6 LYS H . 50466 1 10 . 1 . 1 6 6 LYS N N 15 128.31543 . . 1 . . . . . 6 LYS N . 50466 1 11 . 1 . 1 7 7 THR H H 1 8.74213 . . 1 . . . . . 7 THR H . 50466 1 12 . 1 . 1 7 7 THR N N 15 116.62805 . . 1 . . . . . 7 THR N . 50466 1 13 . 1 . 1 8 8 LEU H H 1 8.99637 . . 1 . . . . . 8 LEU H . 50466 1 14 . 1 . 1 8 8 LEU N N 15 121.10946 . . 1 . . . . . 8 LEU N . 50466 1 15 . 1 . 1 9 9 THR H H 1 7.57276 . . 1 . . . . . 9 THR H . 50466 1 16 . 1 . 1 9 9 THR N N 15 105.99506 . . 1 . . . . . 9 THR N . 50466 1 17 . 1 . 1 10 10 GLY H H 1 7.82697 . . 1 . . . . . 10 GLY H . 50466 1 18 . 1 . 1 10 10 GLY N N 15 109.77385 . . 1 . . . . . 10 GLY N . 50466 1 19 . 1 . 1 11 11 LYS H H 1 7.12789 . . 1 . . . . . 11 LYS H . 50466 1 20 . 1 . 1 11 11 LYS N N 15 121.98837 . . 1 . . . . . 11 LYS N . 50466 1 21 . 1 . 1 12 12 GLU H H 1 8.53877 . . 1 . . . . . 12 GLU H . 50466 1 22 . 1 . 1 12 12 GLU N N 15 124.18543 . . 1 . . . . . 12 GLU N . 50466 1 23 . 1 . 1 13 13 ILE H H 1 9.09804 . . 1 . . . . . 13 ILE H . 50466 1 24 . 1 . 1 13 13 ILE N N 15 124.27309 . . 1 . . . . . 13 ILE N . 50466 1 25 . 1 . 1 14 14 GLU H H 1 8.60233 . . 1 . . . . . 14 GLU H . 50466 1 26 . 1 . 1 14 14 GLU N N 15 126.11859 . . 1 . . . . . 14 GLU N . 50466 1 27 . 1 . 1 15 15 ILE H H 1 8.53876 . . 1 . . . . . 15 ILE H . 50466 1 28 . 1 . 1 15 15 ILE N N 15 121.46118 . . 1 . . . . . 15 ILE N . 50466 1 29 . 1 . 1 16 16 ASP H H 1 8.22102 . . 1 . . . . . 16 ASP H . 50466 1 30 . 1 . 1 16 16 ASP N N 15 124.80059 . . 1 . . . . . 16 ASP N . 50466 1 31 . 1 . 1 17 17 ILE H H 1 8.66588 . . 1 . . . . . 17 ILE H . 50466 1 32 . 1 . 1 17 17 ILE N N 15 117.77040 . . 1 . . . . . 17 ILE N . 50466 1 33 . 1 . 1 18 18 GLU H H 1 8.57689 . . 1 . . . . . 18 GLU H . 50466 1 34 . 1 . 1 18 18 GLU N N 15 120.49456 . . 1 . . . . . 18 GLU N . 50466 1 35 . 1 . 1 20 20 THR H H 1 6.64486 . . 1 . . . . . 20 THR H . 50466 1 36 . 1 . 1 20 20 THR N N 15 98.43773 . . 1 . . . . . 20 THR N . 50466 1 37 . 1 . 1 21 21 ASP H H 1 7.75070 . . 1 . . . . . 21 ASP H . 50466 1 38 . 1 . 1 21 21 ASP N N 15 123.04293 . . 1 . . . . . 21 ASP N . 50466 1 39 . 1 . 1 22 22 LYS H H 1 8.48790 . . 1 . . . . . 22 LYS H . 50466 1 40 . 1 . 1 22 22 LYS N N 15 119.26429 . . 1 . . . . . 22 LYS N . 50466 1 41 . 1 . 1 23 23 VAL H H 1 9.14890 . . 1 . . . . . 23 VAL H . 50466 1 42 . 1 . 1 23 23 VAL N N 15 125.50347 . . 1 . . . . . 23 VAL N . 50466 1 43 . 1 . 1 24 24 GLU H H 1 8.48792 . . 1 . . . . . 24 GLU H . 50466 1 44 . 1 . 1 24 24 GLU N N 15 117.94617 . . 1 . . . . . 24 GLU N . 50466 1 45 . 1 . 1 25 25 ARG H H 1 7.38208 . . 1 . . . . . 25 ARG H . 50466 1 46 . 1 . 1 25 25 ARG N N 15 119.17635 . . 1 . . . . . 25 ARG N . 50466 1 47 . 1 . 1 26 26 ILE H H 1 7.75069 . . 1 . . . . . 26 ILE H . 50466 1 48 . 1 . 1 26 26 ILE N N 15 120.31881 . . 1 . . . . . 26 ILE N . 50466 1 49 . 1 . 1 27 27 LYS H H 1 7.61088 . . 1 . . . . . 27 LYS H . 50466 1 50 . 1 . 1 27 27 LYS N N 15 116.62793 . . 1 . . . . . 27 LYS N . 50466 1 51 . 1 . 1 28 28 GLU H H 1 7.66171 . . 1 . . . . . 28 GLU H . 50466 1 52 . 1 . 1 28 28 GLU N N 15 120.84596 . . 1 . . . . . 28 GLU N . 50466 1 53 . 1 . 1 29 29 ARG H H 1 8.03032 . . 1 . . . . . 29 ARG H . 50466 1 54 . 1 . 1 29 29 ARG N N 15 120.14301 . . 1 . . . . . 29 ARG N . 50466 1 55 . 1 . 1 30 30 VAL H H 1 8.22100 . . 1 . . . . . 30 VAL H . 50466 1 56 . 1 . 1 30 30 VAL N N 15 121.10970 . . 1 . . . . . 30 VAL N . 50466 1 57 . 1 . 1 31 31 GLU H H 1 8.38624 . . 1 . . . . . 31 GLU H . 50466 1 58 . 1 . 1 31 31 GLU N N 15 123.13083 . . 1 . . . . . 31 GLU N . 50466 1 59 . 1 . 1 32 32 GLU H H 1 7.86509 . . 1 . . . . . 32 GLU H . 50466 1 60 . 1 . 1 32 32 GLU N N 15 119.26430 . . 1 . . . . . 32 GLU N . 50466 1 61 . 1 . 1 33 33 LYS H H 1 7.19143 . . 1 . . . . . 33 LYS H . 50466 1 62 . 1 . 1 33 33 LYS N N 15 114.95846 . . 1 . . . . . 33 LYS N . 50466 1 63 . 1 . 1 34 34 GLU H H 1 8.56421 . . 1 . . . . . 34 GLU H . 50466 1 64 . 1 . 1 34 34 GLU N N 15 115.30988 . . 1 . . . . . 34 GLU N . 50466 1 65 . 1 . 1 35 35 GLY H H 1 8.56419 . . 1 . . . . . 35 GLY H . 50466 1 66 . 1 . 1 35 35 GLY N N 15 108.89490 . . 1 . . . . . 35 GLY N . 50466 1 67 . 1 . 1 36 36 ILE H H 1 6.14911 . . 1 . . . . . 36 ILE H . 50466 1 68 . 1 . 1 36 36 ILE N N 15 120.31883 . . 1 . . . . . 36 ILE N . 50466 1 69 . 1 . 1 39 39 GLN H H 1 8.79298 . . 1 . . . . . 39 GLN H . 50466 1 70 . 1 . 1 39 39 GLN N N 15 114.51888 . . 1 . . . . . 39 GLN N . 50466 1 71 . 1 . 1 40 40 GLN H H 1 7.83966 . . 1 . . . . . 40 GLN H . 50466 1 72 . 1 . 1 40 40 GLN N N 15 116.36440 . . 1 . . . . . 40 GLN N . 50466 1 73 . 1 . 1 41 41 GLN H H 1 7.53462 . . 1 . . . . . 41 GLN H . 50466 1 74 . 1 . 1 41 41 GLN N N 15 118.20975 . . 1 . . . . . 41 GLN N . 50466 1 75 . 1 . 1 42 42 ARG H H 1 8.53876 . . 1 . . . . . 42 ARG H . 50466 1 76 . 1 . 1 42 42 ARG N N 15 122.77952 . . 1 . . . . . 42 ARG N . 50466 1 77 . 1 . 1 43 43 LEU H H 1 8.37353 . . 1 . . . . . 43 LEU H . 50466 1 78 . 1 . 1 43 43 LEU N N 15 123.21852 . . 1 . . . . . 43 LEU N . 50466 1 79 . 1 . 1 44 44 ILE H H 1 9.18701 . . 1 . . . . . 44 ILE H . 50466 1 80 . 1 . 1 44 44 ILE N N 15 123.65802 . . 1 . . . . . 44 ILE N . 50466 1 81 . 1 . 1 45 45 TYR H H 1 8.67859 . . 1 . . . . . 45 TYR H . 50466 1 82 . 1 . 1 45 45 TYR N N 15 124.97624 . . 1 . . . . . 45 TYR N . 50466 1 83 . 1 . 1 47 47 GLY H H 1 8.28454 . . 1 . . . . . 47 GLY H . 50466 1 84 . 1 . 1 47 47 GLY N N 15 103.44698 . . 1 . . . . . 47 GLY N . 50466 1 85 . 1 . 1 48 48 LYS H H 1 7.71255 . . 1 . . . . . 48 LYS H . 50466 1 86 . 1 . 1 48 48 LYS N N 15 121.10965 . . 1 . . . . . 48 LYS N . 50466 1 87 . 1 . 1 49 49 GLN H H 1 8.70402 . . 1 . . . . . 49 GLN H . 50466 1 88 . 1 . 1 49 49 GLN N N 15 123.74598 . . 1 . . . . . 49 GLN N . 50466 1 89 . 1 . 1 50 50 MET H H 1 8.52609 . . 1 . . . . . 50 MET H . 50466 1 90 . 1 . 1 50 50 MET N N 15 125.50335 . . 1 . . . . . 50 MET N . 50466 1 91 . 1 . 1 51 51 ASN H H 1 8.52607 . . 1 . . . . . 51 ASN H . 50466 1 92 . 1 . 1 51 51 ASN N N 15 122.95518 . . 1 . . . . . 51 ASN N . 50466 1 93 . 1 . 1 52 52 ASP H H 1 8.41167 . . 1 . . . . . 52 ASP H . 50466 1 94 . 1 . 1 52 52 ASP N N 15 123.39439 . . 1 . . . . . 52 ASP N . 50466 1 95 . 1 . 1 53 53 GLU H H 1 8.66588 . . 1 . . . . . 53 GLU H . 50466 1 96 . 1 . 1 53 53 GLU N N 15 114.07978 . . 1 . . . . . 53 GLU N . 50466 1 97 . 1 . 1 54 54 LYS H H 1 7.47107 . . 1 . . . . . 54 LYS H . 50466 1 98 . 1 . 1 54 54 LYS N N 15 120.49448 . . 1 . . . . . 54 LYS N . 50466 1 99 . 1 . 1 55 55 THR H H 1 9.09805 . . 1 . . . . . 55 THR H . 50466 1 100 . 1 . 1 55 55 THR N N 15 108.54343 . . 1 . . . . . 55 THR N . 50466 1 101 . 1 . 1 56 56 ALA H H 1 8.22099 . . 1 . . . . . 56 ALA H . 50466 1 102 . 1 . 1 56 56 ALA N N 15 121.10972 . . 1 . . . . . 56 ALA N . 50466 1 103 . 1 . 1 57 57 ALA H H 1 8.42437 . . 1 . . . . . 57 ALA H . 50466 1 104 . 1 . 1 57 57 ALA N N 15 119.96734 . . 1 . . . . . 57 ALA N . 50466 1 105 . 1 . 1 58 58 ASP H H 1 7.85238 . . 1 . . . . . 58 ASP H . 50466 1 106 . 1 . 1 58 58 ASP N N 15 120.67015 . . 1 . . . . . 58 ASP N . 50466 1 107 . 1 . 1 59 59 TYR H H 1 7.28039 . . 1 . . . . . 59 TYR H . 50466 1 108 . 1 . 1 59 59 TYR N N 15 116.10078 . . 1 . . . . . 59 TYR N . 50466 1 109 . 1 . 1 60 60 LYS H H 1 7.91593 . . 1 . . . . . 60 LYS H . 50466 1 110 . 1 . 1 60 60 LYS N N 15 115.30982 . . 1 . . . . . 60 LYS N . 50466 1 111 . 1 . 1 61 61 ILE H H 1 7.03889 . . 1 . . . . . 61 ILE H . 50466 1 112 . 1 . 1 61 61 ILE N N 15 118.29767 . . 1 . . . . . 61 ILE N . 50466 1 113 . 1 . 1 62 62 LEU H H 1 7.53462 . . 1 . . . . . 62 LEU H . 50466 1 114 . 1 . 1 62 62 LEU N N 15 126.11848 . . 1 . . . . . 62 LEU N . 50466 1 115 . 1 . 1 63 63 GLY H H 1 8.57692 . . 1 . . . . . 63 GLY H . 50466 1 116 . 1 . 1 63 63 GLY N N 15 107.66483 . . 1 . . . . . 63 GLY N . 50466 1 117 . 1 . 1 64 64 GLY H H 1 9.30142 . . 1 . . . . . 64 GLY H . 50466 1 118 . 1 . 1 64 64 GLY N N 15 113.64030 . . 1 . . . . . 64 GLY N . 50466 1 119 . 1 . 1 65 65 SER H H 1 8.08117 . . 1 . . . . . 65 SER H . 50466 1 120 . 1 . 1 65 65 SER N N 15 117.85840 . . 1 . . . . . 65 SER N . 50466 1 121 . 1 . 1 66 66 VAL H H 1 8.34810 . . 1 . . . . . 66 VAL H . 50466 1 122 . 1 . 1 66 66 VAL N N 15 121.19755 . . 1 . . . . . 66 VAL N . 50466 1 123 . 1 . 1 67 67 LEU H H 1 9.12348 . . 1 . . . . . 67 LEU H . 50466 1 124 . 1 . 1 67 67 LEU N N 15 127.96394 . . 1 . . . . . 67 LEU N . 50466 1 125 . 1 . 1 68 68 HIS H H 1 9.04720 . . 1 . . . . . 68 HIS H . 50466 1 126 . 1 . 1 68 68 HIS N N 15 119.96736 . . 1 . . . . . 68 HIS N . 50466 1 127 . 1 . 1 69 69 LEU H H 1 8.15744 . . 1 . . . . . 69 LEU H . 50466 1 128 . 1 . 1 69 69 LEU N N 15 123.92172 . . 1 . . . . . 69 LEU N . 50466 1 129 . 1 . 1 70 70 VAL H H 1 9.02178 . . 1 . . . . . 70 VAL H . 50466 1 130 . 1 . 1 70 70 VAL N N 15 126.03083 . . 1 . . . . . 70 VAL N . 50466 1 131 . 1 . 1 71 71 LEU H H 1 8.10660 . . 1 . . . . . 71 LEU H . 50466 1 132 . 1 . 1 71 71 LEU N N 15 123.21864 . . 1 . . . . . 71 LEU N . 50466 1 133 . 1 . 1 72 72 ALA H H 1 8.48794 . . 1 . . . . . 72 ALA H . 50466 1 134 . 1 . 1 72 72 ALA N N 15 126.64584 . . 1 . . . . . 72 ALA N . 50466 1 135 . 1 . 1 73 73 LEU H H 1 8.13202 . . 1 . . . . . 73 LEU H . 50466 1 136 . 1 . 1 73 73 LEU N N 15 121.81268 . . 1 . . . . . 73 LEU N . 50466 1 137 . 1 . 1 74 74 ARG H H 1 8.33539 . . 1 . . . . . 74 ARG H . 50466 1 138 . 1 . 1 74 74 ARG N N 15 121.81271 . . 1 . . . . . 74 ARG N . 50466 1 139 . 1 . 1 75 75 GLY H H 1 8.37355 . . 1 . . . . . 75 GLY H . 50466 1 140 . 1 . 1 75 75 GLY N N 15 111.00398 . . 1 . . . . . 75 GLY N . 50466 1 141 . 1 . 1 76 76 GLY H H 1 7.86510 . . 1 . . . . . 76 GLY H . 50466 1 142 . 1 . 1 76 76 GLY N N 15 115.22188 . . 1 . . . . . 76 GLY N . 50466 1 stop_ save_