################################### # 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 30602 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 'Chemical shifts for the distal K11-linked Ub (chain B in PDB file).' _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' . . . 30602 1 2 '2D 1H-15N HSQC' . . . 30602 1 3 '2D 1H-15N HSQC' . . . 30602 1 4 '2D 1H-15N HSQC' . . . 30602 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 GLN H H 1 8.810 . . 1 . . . . B 2 GLN H . 30602 1 2 . 1 . 1 2 2 GLN N N 15 122.889 . . 1 . . . . B 2 GLN N . 30602 1 3 . 1 . 1 3 3 ILE H H 1 8.247 . . 1 . . . . B 3 ILE H . 30602 1 4 . 1 . 1 3 3 ILE N N 15 115.122 . . 1 . . . . B 3 ILE N . 30602 1 5 . 1 . 1 4 4 PHE H H 1 8.537 . . 1 . . . . B 4 PHE H . 30602 1 6 . 1 . 1 4 4 PHE N N 15 118.727 . . 1 . . . . B 4 PHE N . 30602 1 7 . 1 . 1 5 5 VAL H H 1 9.223 . . 1 . . . . B 5 VAL H . 30602 1 8 . 1 . 1 5 5 VAL N N 15 121.396 . . 1 . . . . B 5 VAL N . 30602 1 9 . 1 . 1 6 6 LYS H H 1 8.964 . . 1 . . . . B 6 LYS H . 30602 1 10 . 1 . 1 6 6 LYS N N 15 128.132 . . 1 . . . . B 6 LYS N . 30602 1 11 . 1 . 1 7 7 THR H H 1 8.580 . . 1 . . . . B 7 THR H . 30602 1 12 . 1 . 1 7 7 THR N N 15 115.431 . . 1 . . . . B 7 THR N . 30602 1 13 . 1 . 1 8 8 LEU H H 1 9.030 . . 1 . . . . B 8 LEU H . 30602 1 14 . 1 . 1 8 8 LEU N N 15 121.272 . . 1 . . . . B 8 LEU N . 30602 1 15 . 1 . 1 9 9 THR H H 1 7.576 . . 1 . . . . B 9 THR H . 30602 1 16 . 1 . 1 9 9 THR N N 15 105.549 . . 1 . . . . B 9 THR N . 30602 1 17 . 1 . 1 10 10 GLY H H 1 7.817 . . 1 . . . . B 10 GLY H . 30602 1 18 . 1 . 1 10 10 GLY N N 15 109.209 . . 1 . . . . B 10 GLY N . 30602 1 19 . 1 . 1 11 11 ARG H H 1 7.190 . . 1 . . . . B 11 ARG H . 30602 1 20 . 1 . 1 11 11 ARG N N 15 121.232 . . 1 . . . . B 11 ARG N . 30602 1 21 . 1 . 1 12 12 THR H H 1 8.611 . . 1 . . . . B 12 THR H . 30602 1 22 . 1 . 1 12 12 THR N N 15 120.178 . . 1 . . . . B 12 THR N . 30602 1 23 . 1 . 1 13 13 ILE H H 1 9.433 . . 1 . . . . B 13 ILE H . 30602 1 24 . 1 . 1 13 13 ILE N N 15 127.221 . . 1 . . . . B 13 ILE N . 30602 1 25 . 1 . 1 14 14 THR H H 1 8.658 . . 1 . . . . B 14 THR H . 30602 1 26 . 1 . 1 14 14 THR N N 15 121.302 . . 1 . . . . B 14 THR N . 30602 1 27 . 1 . 1 15 15 LEU H H 1 8.654 . . 1 . . . . B 15 LEU H . 30602 1 28 . 1 . 1 15 15 LEU N N 15 125.144 . . 1 . . . . B 15 LEU N . 30602 1 29 . 1 . 1 16 16 GLU H H 1 8.057 . . 1 . . . . B 16 GLU H . 30602 1 30 . 1 . 1 16 16 GLU N N 15 122.622 . . 1 . . . . B 16 GLU N . 30602 1 31 . 1 . 1 17 17 VAL H H 1 8.864 . . 1 . . . . B 17 VAL H . 30602 1 32 . 1 . 1 17 17 VAL N N 15 117.621 . . 1 . . . . B 17 VAL N . 30602 1 33 . 1 . 1 18 18 GLU H H 1 8.585 . . 1 . . . . B 18 GLU H . 30602 1 34 . 1 . 1 18 18 GLU N N 15 119.387 . . 1 . . . . B 18 GLU N . 30602 1 35 . 1 . 1 20 20 SER H H 1 6.963 . . 1 . . . . B 20 SER H . 30602 1 36 . 1 . 1 20 20 SER N N 15 103.532 . . 1 . . . . B 20 SER N . 30602 1 37 . 1 . 1 21 21 ASP H H 1 7.978 . . 1 . . . . B 21 ASP H . 30602 1 38 . 1 . 1 21 21 ASP N N 15 123.977 . . 1 . . . . B 21 ASP N . 30602 1 39 . 1 . 1 22 22 THR H H 1 7.817 . . 1 . . . . B 22 THR H . 30602 1 40 . 1 . 1 22 22 THR N N 15 109.209 . . 1 . . . . B 22 THR N . 30602 1 41 . 1 . 1 23 23 ILE H H 1 8.446 . . 1 . . . . B 23 ILE H . 30602 1 42 . 1 . 1 23 23 ILE N N 15 121.220 . . 1 . . . . B 23 ILE N . 30602 1 43 . 1 . 1 25 25 ASN H H 1 7.863 . . 1 . . . . B 25 ASN H . 30602 1 44 . 1 . 1 25 25 ASN N N 15 121.593 . . 1 . . . . B 25 ASN N . 30602 1 45 . 1 . 1 26 26 VAL H H 1 8.041 . . 1 . . . . B 26 VAL H . 30602 1 46 . 1 . 1 26 26 VAL N N 15 122.280 . . 1 . . . . B 26 VAL N . 30602 1 47 . 1 . 1 27 27 LYS H H 1 8.514 . . 1 . . . . B 27 LYS H . 30602 1 48 . 1 . 1 27 27 LYS N N 15 118.981 . . 1 . . . . B 27 LYS N . 30602 1 49 . 1 . 1 28 28 ALA H H 1 7.918 . . 1 . . . . B 28 ALA H . 30602 1 50 . 1 . 1 28 28 ALA N N 15 123.598 . . 1 . . . . B 28 ALA N . 30602 1 51 . 1 . 1 29 29 LYS H H 1 7.782 . . 1 . . . . B 29 LYS H . 30602 1 52 . 1 . 1 29 29 LYS N N 15 120.333 . . 1 . . . . B 29 LYS N . 30602 1 53 . 1 . 1 30 30 ILE H H 1 8.224 . . 1 . . . . B 30 ILE H . 30602 1 54 . 1 . 1 30 30 ILE N N 15 121.350 . . 1 . . . . B 30 ILE N . 30602 1 55 . 1 . 1 31 31 GLN H H 1 8.518 . . 1 . . . . B 31 GLN H . 30602 1 56 . 1 . 1 31 31 GLN N N 15 123.684 . . 1 . . . . B 31 GLN N . 30602 1 57 . 1 . 1 32 32 ASP H H 1 7.934 . . 1 . . . . B 32 ASP H . 30602 1 58 . 1 . 1 32 32 ASP N N 15 119.758 . . 1 . . . . B 32 ASP N . 30602 1 59 . 1 . 1 33 33 LYS H H 1 7.346 . . 1 . . . . B 33 LYS H . 30602 1 60 . 1 . 1 33 33 LYS N N 15 115.436 . . 1 . . . . B 33 LYS N . 30602 1 61 . 1 . 1 34 34 GLU H H 1 8.694 . . 1 . . . . B 34 GLU H . 30602 1 62 . 1 . 1 34 34 GLU N N 15 114.320 . . 1 . . . . B 34 GLU N . 30602 1 63 . 1 . 1 35 35 GLY H H 1 8.463 . . 1 . . . . B 35 GLY H . 30602 1 64 . 1 . 1 35 35 GLY N N 15 108.875 . . 1 . . . . B 35 GLY N . 30602 1 65 . 1 . 1 36 36 ILE H H 1 6.102 . . 1 . . . . B 36 ILE H . 30602 1 66 . 1 . 1 36 36 ILE N N 15 120.010 . . 1 . . . . B 36 ILE N . 30602 1 67 . 1 . 1 39 39 ASP H H 1 8.479 . . 1 . . . . B 39 ASP H . 30602 1 68 . 1 . 1 39 39 ASP N N 15 113.700 . . 1 . . . . B 39 ASP N . 30602 1 69 . 1 . 1 40 40 GLN H H 1 7.764 . . 1 . . . . B 40 GLN H . 30602 1 70 . 1 . 1 40 40 GLN N N 15 116.909 . . 1 . . . . B 40 GLN N . 30602 1 71 . 1 . 1 41 41 GLN H H 1 7.431 . . 1 . . . . B 41 GLN H . 30602 1 72 . 1 . 1 41 41 GLN N N 15 118.205 . . 1 . . . . B 41 GLN N . 30602 1 73 . 1 . 1 42 42 ARG H H 1 8.452 . . 1 . . . . B 42 ARG H . 30602 1 74 . 1 . 1 42 42 ARG N N 15 123.148 . . 1 . . . . B 42 ARG N . 30602 1 75 . 1 . 1 43 43 LEU H H 1 8.765 . . 1 . . . . B 43 LEU H . 30602 1 76 . 1 . 1 43 43 LEU N N 15 124.561 . . 1 . . . . B 43 LEU N . 30602 1 77 . 1 . 1 44 44 ILE H H 1 9.050 . . 1 . . . . B 44 ILE H . 30602 1 78 . 1 . 1 44 44 ILE N N 15 122.442 . . 1 . . . . B 44 ILE N . 30602 1 79 . 1 . 1 45 45 PHE H H 1 8.805 . . 1 . . . . B 45 PHE H . 30602 1 80 . 1 . 1 45 45 PHE N N 15 125.046 . . 1 . . . . B 45 PHE N . 30602 1 81 . 1 . 1 46 46 ALA H H 1 9.047 . . 1 . . . . B 46 ALA H . 30602 1 82 . 1 . 1 46 46 ALA N N 15 133.518 . . 1 . . . . B 46 ALA N . 30602 1 83 . 1 . 1 47 47 GLY H H 1 8.027 . . 1 . . . . B 47 GLY H . 30602 1 84 . 1 . 1 47 47 GLY N N 15 102.446 . . 1 . . . . B 47 GLY N . 30602 1 85 . 1 . 1 48 48 ARG H H 1 7.913 . . 1 . . . . B 48 ARG H . 30602 1 86 . 1 . 1 48 48 ARG N N 15 121.545 . . 1 . . . . B 48 ARG N . 30602 1 87 . 1 . 1 49 49 GLN H H 1 8.667 . . 1 . . . . B 49 GLN H . 30602 1 88 . 1 . 1 49 49 GLN N N 15 123.634 . . 1 . . . . B 49 GLN N . 30602 1 89 . 1 . 1 50 50 LEU H H 1 8.481 . . 1 . . . . B 50 LEU H . 30602 1 90 . 1 . 1 50 50 LEU N N 15 125.553 . . 1 . . . . B 50 LEU N . 30602 1 91 . 1 . 1 51 51 GLU H H 1 8.313 . . 1 . . . . B 51 GLU H . 30602 1 92 . 1 . 1 51 51 GLU N N 15 123.239 . . 1 . . . . B 51 GLU N . 30602 1 93 . 1 . 1 52 52 ASP H H 1 8.096 . . 1 . . . . B 52 ASP H . 30602 1 94 . 1 . 1 52 52 ASP N N 15 120.431 . . 1 . . . . B 52 ASP N . 30602 1 95 . 1 . 1 54 54 ARG H H 1 7.386 . . 1 . . . . B 54 ARG H . 30602 1 96 . 1 . 1 54 54 ARG N N 15 119.367 . . 1 . . . . B 54 ARG N . 30602 1 97 . 1 . 1 55 55 THR H H 1 8.780 . . 1 . . . . B 55 THR H . 30602 1 98 . 1 . 1 55 55 THR N N 15 109.000 . . 1 . . . . B 55 THR N . 30602 1 99 . 1 . 1 56 56 LEU H H 1 8.101 . . 1 . . . . B 56 LEU H . 30602 1 100 . 1 . 1 56 56 LEU N N 15 118.102 . . 1 . . . . B 56 LEU N . 30602 1 101 . 1 . 1 57 57 SER H H 1 8.402 . . 1 . . . . B 57 SER H . 30602 1 102 . 1 . 1 57 57 SER N N 15 113.573 . . 1 . . . . B 57 SER N . 30602 1 103 . 1 . 1 58 58 ASP H H 1 7.856 . . 1 . . . . B 58 ASP H . 30602 1 104 . 1 . 1 58 58 ASP N N 15 124.563 . . 1 . . . . B 58 ASP N . 30602 1 105 . 1 . 1 59 59 TYR H H 1 7.202 . . 1 . . . . B 59 TYR H . 30602 1 106 . 1 . 1 59 59 TYR N N 15 115.848 . . 1 . . . . B 59 TYR N . 30602 1 107 . 1 . 1 60 60 ASN H H 1 8.077 . . 1 . . . . B 60 ASN H . 30602 1 108 . 1 . 1 60 60 ASN N N 15 115.878 . . 1 . . . . B 60 ASN N . 30602 1 109 . 1 . 1 61 61 ILE H H 1 7.158 . . 1 . . . . B 61 ILE H . 30602 1 110 . 1 . 1 61 61 ILE N N 15 119.007 . . 1 . . . . B 61 ILE N . 30602 1 111 . 1 . 1 62 62 GLN H H 1 7.581 . . 1 . . . . B 62 GLN H . 30602 1 112 . 1 . 1 62 62 GLN N N 15 125.006 . . 1 . . . . B 62 GLN N . 30602 1 113 . 1 . 1 63 63 ARG H H 1 8.412 . . 1 . . . . B 63 ARG H . 30602 1 114 . 1 . 1 63 63 ARG N N 15 120.579 . . 1 . . . . B 63 ARG N . 30602 1 115 . 1 . 1 64 64 GLU H H 1 9.241 . . 1 . . . . B 64 GLU H . 30602 1 116 . 1 . 1 64 64 GLU N N 15 115.250 . . 1 . . . . B 64 GLU N . 30602 1 117 . 1 . 1 65 65 SER H H 1 7.666 . . 1 . . . . B 65 SER H . 30602 1 118 . 1 . 1 65 65 SER N N 15 115.095 . . 1 . . . . B 65 SER N . 30602 1 119 . 1 . 1 66 66 THR H H 1 8.638 . . 1 . . . . B 66 THR H . 30602 1 120 . 1 . 1 66 66 THR N N 15 117.459 . . 1 . . . . B 66 THR N . 30602 1 121 . 1 . 1 67 67 LEU H H 1 9.341 . . 1 . . . . B 67 LEU H . 30602 1 122 . 1 . 1 67 67 LEU N N 15 127.875 . . 1 . . . . B 67 LEU N . 30602 1 123 . 1 . 1 68 68 HIS H H 1 9.199 . . 1 . . . . B 68 HIS H . 30602 1 124 . 1 . 1 68 68 HIS N N 15 119.701 . . 1 . . . . B 68 HIS N . 30602 1 125 . 1 . 1 69 69 LEU H H 1 8.200 . . 1 . . . . B 69 LEU H . 30602 1 126 . 1 . 1 69 69 LEU N N 15 123.972 . . 1 . . . . B 69 LEU N . 30602 1 127 . 1 . 1 70 70 VAL H H 1 9.094 . . 1 . . . . B 70 VAL H . 30602 1 128 . 1 . 1 70 70 VAL N N 15 126.290 . . 1 . . . . B 70 VAL N . 30602 1 129 . 1 . 1 71 71 LEU H H 1 8.081 . . 1 . . . . B 71 LEU H . 30602 1 130 . 1 . 1 71 71 LEU N N 15 123.151 . . 1 . . . . B 71 LEU N . 30602 1 131 . 1 . 1 72 72 ARG H H 1 8.472 . . 1 . . . . B 72 ARG H . 30602 1 132 . 1 . 1 72 72 ARG N N 15 123.541 . . 1 . . . . B 72 ARG N . 30602 1 133 . 1 . 1 73 73 LEU H H 1 8.272 . . 1 . . . . B 73 LEU H . 30602 1 134 . 1 . 1 73 73 LEU N N 15 123.827 . . 1 . . . . B 73 LEU N . 30602 1 135 . 1 . 1 74 74 ARG H H 1 8.510 . . 1 . . . . B 74 ARG H . 30602 1 136 . 1 . 1 74 74 ARG N N 15 121.890 . . 1 . . . . B 74 ARG N . 30602 1 137 . 1 . 1 75 75 GLY H H 1 8.545 . . 1 . . . . B 75 GLY H . 30602 1 138 . 1 . 1 75 75 GLY N N 15 110.197 . . 1 . . . . B 75 GLY N . 30602 1 139 . 1 . 1 76 76 GLY H H 1 8.260 . . 1 . . . . B 76 GLY H . 30602 1 140 . 1 . 1 76 76 GLY N N 15 108.768 . . 1 . . . . B 76 GLY N . 30602 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 30602 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _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 'Chemical shifts for the distal K48-linked Ub (chain D in PDB file).' _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' . . . 30602 2 2 '2D 1H-15N HSQC' . . . 30602 2 3 '2D 1H-15N HSQC' . . . 30602 2 4 '2D 1H-15N HSQC' . . . 30602 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 . 2 . 2 2 2 GLN H H 1 8.890 . . 1 . . . . D 2 GLN H . 30602 2 2 . 2 . 2 2 2 GLN N N 15 123.183 . . 1 . . . . D 2 GLN N . 30602 2 3 . 2 . 2 3 3 ILE H H 1 8.234 . . 1 . . . . D 3 ILE H . 30602 2 4 . 2 . 2 3 3 ILE N N 15 115.240 . . 1 . . . . D 3 ILE N . 30602 2 5 . 2 . 2 4 4 PHE H H 1 8.508 . . 1 . . . . D 4 PHE H . 30602 2 6 . 2 . 2 4 4 PHE N N 15 118.655 . . 1 . . . . D 4 PHE N . 30602 2 7 . 2 . 2 5 5 VAL H H 1 9.233 . . 1 . . . . D 5 VAL H . 30602 2 8 . 2 . 2 5 5 VAL N N 15 121.722 . . 1 . . . . D 5 VAL N . 30602 2 9 . 2 . 2 6 6 LYS H H 1 8.941 . . 1 . . . . D 6 LYS H . 30602 2 10 . 2 . 2 6 6 LYS N N 15 128.017 . . 1 . . . . D 6 LYS N . 30602 2 11 . 2 . 2 7 7 THR H H 1 8.685 . . 1 . . . . D 7 THR H . 30602 2 12 . 2 . 2 7 7 THR N N 15 114.545 . . 1 . . . . D 7 THR N . 30602 2 13 . 2 . 2 8 8 LEU H H 1 9.056 . . 1 . . . . D 8 LEU H . 30602 2 14 . 2 . 2 8 8 LEU N N 15 121.100 . . 1 . . . . D 8 LEU N . 30602 2 15 . 2 . 2 9 9 THR H H 1 7.516 . . 1 . . . . D 9 THR H . 30602 2 16 . 2 . 2 9 9 THR N N 15 105.663 . . 1 . . . . D 9 THR N . 30602 2 17 . 2 . 2 10 10 GLY H H 1 7.611 . . 1 . . . . D 10 GLY H . 30602 2 18 . 2 . 2 10 10 GLY N N 15 108.932 . . 1 . . . . D 10 GLY N . 30602 2 19 . 2 . 2 11 11 LYS H H 1 7.254 . . 1 . . . . D 11 LYS H . 30602 2 20 . 2 . 2 11 11 LYS N N 15 122.042 . . 1 . . . . D 11 LYS N . 30602 2 21 . 2 . 2 12 12 THR H H 1 8.581 . . 1 . . . . D 12 THR H . 30602 2 22 . 2 . 2 12 12 THR N N 15 120.908 . . 1 . . . . D 12 THR N . 30602 2 23 . 2 . 2 13 13 ILE H H 1 9.508 . . 1 . . . . D 13 ILE H . 30602 2 24 . 2 . 2 13 13 ILE N N 15 128.069 . . 1 . . . . D 13 ILE N . 30602 2 25 . 2 . 2 14 14 THR H H 1 8.651 . . 1 . . . . D 14 THR H . 30602 2 26 . 2 . 2 14 14 THR N N 15 121.775 . . 1 . . . . D 14 THR N . 30602 2 27 . 2 . 2 15 15 LEU H H 1 8.610 . . 1 . . . . D 15 LEU H . 30602 2 28 . 2 . 2 15 15 LEU N N 15 125.136 . . 1 . . . . D 15 LEU N . 30602 2 29 . 2 . 2 16 16 GLU H H 1 8.033 . . 1 . . . . D 16 GLU H . 30602 2 30 . 2 . 2 16 16 GLU N N 15 122.511 . . 1 . . . . D 16 GLU N . 30602 2 31 . 2 . 2 17 17 VAL H H 1 8.868 . . 1 . . . . D 17 VAL H . 30602 2 32 . 2 . 2 17 17 VAL N N 15 117.614 . . 1 . . . . D 17 VAL N . 30602 2 33 . 2 . 2 18 18 GLU H H 1 8.581 . . 1 . . . . D 18 GLU H . 30602 2 34 . 2 . 2 18 18 GLU N N 15 119.374 . . 1 . . . . D 18 GLU N . 30602 2 35 . 2 . 2 20 20 SER H H 1 6.950 . . 1 . . . . D 20 SER H . 30602 2 36 . 2 . 2 20 20 SER N N 15 103.477 . . 1 . . . . D 20 SER N . 30602 2 37 . 2 . 2 21 21 ASP H H 1 7.971 . . 1 . . . . D 21 ASP H . 30602 2 38 . 2 . 2 21 21 ASP N N 15 124.003 . . 1 . . . . D 21 ASP N . 30602 2 39 . 2 . 2 22 22 THR H H 1 7.803 . . 1 . . . . D 22 THR H . 30602 2 40 . 2 . 2 22 22 THR N N 15 109.117 . . 1 . . . . D 22 THR N . 30602 2 41 . 2 . 2 23 23 ILE H H 1 8.419 . . 1 . . . . D 23 ILE H . 30602 2 42 . 2 . 2 23 23 ILE N N 15 121.426 . . 1 . . . . D 23 ILE N . 30602 2 43 . 2 . 2 25 25 ASN H H 1 7.862 . . 1 . . . . D 25 ASN H . 30602 2 44 . 2 . 2 25 25 ASN N N 15 121.546 . . 1 . . . . D 25 ASN N . 30602 2 45 . 2 . 2 26 26 VAL H H 1 8.033 . . 1 . . . . D 26 VAL H . 30602 2 46 . 2 . 2 26 26 VAL N N 15 122.511 . . 1 . . . . D 26 VAL N . 30602 2 47 . 2 . 2 27 27 LYS H H 1 8.481 . . 1 . . . . D 27 LYS H . 30602 2 48 . 2 . 2 27 27 LYS N N 15 118.970 . . 1 . . . . D 27 LYS N . 30602 2 49 . 2 . 2 28 28 ALA H H 1 7.882 . . 1 . . . . D 28 ALA H . 30602 2 50 . 2 . 2 28 28 ALA N N 15 123.435 . . 1 . . . . D 28 ALA N . 30602 2 51 . 2 . 2 29 29 LYS H H 1 7.772 . . 1 . . . . D 29 LYS H . 30602 2 52 . 2 . 2 29 29 LYS N N 15 120.275 . . 1 . . . . D 29 LYS N . 30602 2 53 . 2 . 2 30 30 ILE H H 1 8.195 . . 1 . . . . D 30 ILE H . 30602 2 54 . 2 . 2 30 30 ILE N N 15 121.432 . . 1 . . . . D 30 ILE N . 30602 2 55 . 2 . 2 31 31 GLN H H 1 8.486 . . 1 . . . . D 31 GLN H . 30602 2 56 . 2 . 2 31 31 GLN N N 15 123.680 . . 1 . . . . D 31 GLN N . 30602 2 57 . 2 . 2 32 32 ASP H H 1 7.955 . . 1 . . . . D 32 ASP H . 30602 2 58 . 2 . 2 32 32 ASP N N 15 119.867 . . 1 . . . . D 32 ASP N . 30602 2 59 . 2 . 2 33 33 LYS H H 1 7.361 . . 1 . . . . D 33 LYS H . 30602 2 60 . 2 . 2 33 33 LYS N N 15 115.601 . . 1 . . . . D 33 LYS N . 30602 2 61 . 2 . 2 34 34 GLU H H 1 8.638 . . 1 . . . . D 34 GLU H . 30602 2 62 . 2 . 2 34 34 GLU N N 15 114.310 . . 1 . . . . D 34 GLU N . 30602 2 63 . 2 . 2 35 35 GLY H H 1 8.410 . . 1 . . . . D 35 GLY H . 30602 2 64 . 2 . 2 35 35 GLY N N 15 108.957 . . 1 . . . . D 35 GLY N . 30602 2 65 . 2 . 2 36 36 ILE H H 1 6.070 . . 1 . . . . D 36 ILE H . 30602 2 66 . 2 . 2 36 36 ILE N N 15 120.357 . . 1 . . . . D 36 ILE N . 30602 2 67 . 2 . 2 39 39 ASP H H 1 8.475 . . 1 . . . . D 39 ASP H . 30602 2 68 . 2 . 2 39 39 ASP N N 15 113.757 . . 1 . . . . D 39 ASP N . 30602 2 69 . 2 . 2 40 40 GLN H H 1 7.723 . . 1 . . . . D 40 GLN H . 30602 2 70 . 2 . 2 40 40 GLN N N 15 117.081 . . 1 . . . . D 40 GLN N . 30602 2 71 . 2 . 2 41 41 GLN H H 1 7.396 . . 1 . . . . D 41 GLN H . 30602 2 72 . 2 . 2 41 41 GLN N N 15 117.789 . . 1 . . . . D 41 GLN N . 30602 2 73 . 2 . 2 42 42 ARG H H 1 8.539 . . 1 . . . . D 42 ARG H . 30602 2 74 . 2 . 2 42 42 ARG N N 15 123.276 . . 1 . . . . D 42 ARG N . 30602 2 75 . 2 . 2 43 43 LEU H H 1 8.767 . . 1 . . . . D 43 LEU H . 30602 2 76 . 2 . 2 43 43 LEU N N 15 124.302 . . 1 . . . . D 43 LEU N . 30602 2 77 . 2 . 2 44 44 ILE H H 1 9.066 . . 1 . . . . D 44 ILE H . 30602 2 78 . 2 . 2 44 44 ILE N N 15 122.424 . . 1 . . . . D 44 ILE N . 30602 2 79 . 2 . 2 45 45 PHE H H 1 8.789 . . 1 . . . . D 45 PHE H . 30602 2 80 . 2 . 2 45 45 PHE N N 15 125.017 . . 1 . . . . D 45 PHE N . 30602 2 81 . 2 . 2 46 46 ALA H H 1 8.892 . . 1 . . . . D 46 ALA H . 30602 2 82 . 2 . 2 46 46 ALA N N 15 133.452 . . 1 . . . . D 46 ALA N . 30602 2 83 . 2 . 2 47 47 GLY H H 1 8.157 . . 1 . . . . D 47 GLY H . 30602 2 84 . 2 . 2 47 47 GLY N N 15 102.206 . . 1 . . . . D 47 GLY N . 30602 2 85 . 2 . 2 48 48 ARG H H 1 7.870 . . 1 . . . . D 48 ARG H . 30602 2 86 . 2 . 2 48 48 ARG N N 15 120.991 . . 1 . . . . D 48 ARG N . 30602 2 87 . 2 . 2 49 49 GLN H H 1 8.689 . . 1 . . . . D 49 GLN H . 30602 2 88 . 2 . 2 49 49 GLN N N 15 123.513 . . 1 . . . . D 49 GLN N . 30602 2 89 . 2 . 2 50 50 LEU H H 1 8.546 . . 1 . . . . D 50 LEU H . 30602 2 90 . 2 . 2 50 50 LEU N N 15 125.922 . . 1 . . . . D 50 LEU N . 30602 2 91 . 2 . 2 51 51 GLU H H 1 8.293 . . 1 . . . . D 51 GLU H . 30602 2 92 . 2 . 2 51 51 GLU N N 15 122.820 . . 1 . . . . D 51 GLU N . 30602 2 93 . 2 . 2 52 52 ASP H H 1 8.124 . . 1 . . . . D 52 ASP H . 30602 2 94 . 2 . 2 52 52 ASP N N 15 120.431 . . 1 . . . . D 52 ASP N . 30602 2 95 . 2 . 2 54 54 ARG H H 1 7.356 . . 1 . . . . D 54 ARG H . 30602 2 96 . 2 . 2 54 54 ARG N N 15 119.367 . . 1 . . . . D 54 ARG N . 30602 2 97 . 2 . 2 55 55 THR H H 1 8.759 . . 1 . . . . D 55 THR H . 30602 2 98 . 2 . 2 55 55 THR N N 15 108.927 . . 1 . . . . D 55 THR N . 30602 2 99 . 2 . 2 56 56 LEU H H 1 8.074 . . 1 . . . . D 56 LEU H . 30602 2 100 . 2 . 2 56 56 LEU N N 15 118.053 . . 1 . . . . D 56 LEU N . 30602 2 101 . 2 . 2 57 57 SER H H 1 8.403 . . 1 . . . . D 57 SER H . 30602 2 102 . 2 . 2 57 57 SER N N 15 113.583 . . 1 . . . . D 57 SER N . 30602 2 103 . 2 . 2 58 58 ASP H H 1 7.864 . . 1 . . . . D 58 ASP H . 30602 2 104 . 2 . 2 58 58 ASP N N 15 124.689 . . 1 . . . . D 58 ASP N . 30602 2 105 . 2 . 2 59 59 TYR H H 1 7.172 . . 1 . . . . D 59 TYR H . 30602 2 106 . 2 . 2 59 59 TYR N N 15 115.821 . . 1 . . . . D 59 TYR N . 30602 2 107 . 2 . 2 60 60 ASN H H 1 8.074 . . 1 . . . . D 60 ASN H . 30602 2 108 . 2 . 2 60 60 ASN N N 15 115.974 . . 1 . . . . D 60 ASN N . 30602 2 109 . 2 . 2 61 61 ILE H H 1 7.174 . . 1 . . . . D 61 ILE H . 30602 2 110 . 2 . 2 61 61 ILE N N 15 119.048 . . 1 . . . . D 61 ILE N . 30602 2 111 . 2 . 2 62 62 GLN H H 1 7.543 . . 1 . . . . D 62 GLN H . 30602 2 112 . 2 . 2 62 62 GLN N N 15 124.967 . . 1 . . . . D 62 GLN N . 30602 2 113 . 2 . 2 63 63 LYS H H 1 8.414 . . 1 . . . . D 63 LYS H . 30602 2 114 . 2 . 2 63 63 LYS N N 15 120.686 . . 1 . . . . D 63 LYS N . 30602 2 115 . 2 . 2 64 64 GLU H H 1 9.236 . . 1 . . . . D 64 GLU H . 30602 2 116 . 2 . 2 64 64 GLU N N 15 114.818 . . 1 . . . . D 64 GLU N . 30602 2 117 . 2 . 2 65 65 SER H H 1 7.602 . . 1 . . . . D 65 SER H . 30602 2 118 . 2 . 2 65 65 SER N N 15 115.014 . . 1 . . . . D 65 SER N . 30602 2 119 . 2 . 2 66 66 THR H H 1 8.627 . . 1 . . . . D 66 THR H . 30602 2 120 . 2 . 2 66 66 THR N N 15 117.504 . . 1 . . . . D 66 THR N . 30602 2 121 . 2 . 2 67 67 LEU H H 1 9.308 . . 1 . . . . D 67 LEU H . 30602 2 122 . 2 . 2 67 67 LEU N N 15 128.101 . . 1 . . . . D 67 LEU N . 30602 2 123 . 2 . 2 68 68 HIS H H 1 9.096 . . 1 . . . . D 68 HIS H . 30602 2 124 . 2 . 2 68 68 HIS N N 15 119.204 . . 1 . . . . D 68 HIS N . 30602 2 125 . 2 . 2 69 69 LEU H H 1 8.233 . . 1 . . . . D 69 LEU H . 30602 2 126 . 2 . 2 69 69 LEU N N 15 123.728 . . 1 . . . . D 69 LEU N . 30602 2 127 . 2 . 2 70 70 VAL H H 1 9.019 . . 1 . . . . D 70 VAL H . 30602 2 128 . 2 . 2 70 70 VAL N N 15 125.804 . . 1 . . . . D 70 VAL N . 30602 2 129 . 2 . 2 71 71 LEU H H 1 7.974 . . 1 . . . . D 71 LEU H . 30602 2 130 . 2 . 2 71 71 LEU N N 15 123.022 . . 1 . . . . D 71 LEU N . 30602 2 131 . 2 . 2 72 72 ARG H H 1 8.585 . . 1 . . . . D 72 ARG H . 30602 2 132 . 2 . 2 72 72 ARG N N 15 123.821 . . 1 . . . . D 72 ARG N . 30602 2 133 . 2 . 2 73 73 LEU H H 1 8.290 . . 1 . . . . D 73 LEU H . 30602 2 134 . 2 . 2 73 73 LEU N N 15 125.205 . . 1 . . . . D 73 LEU N . 30602 2 135 . 2 . 2 74 74 ARG H H 1 8.458 . . 1 . . . . D 74 ARG H . 30602 2 136 . 2 . 2 74 74 ARG N N 15 122.790 . . 1 . . . . D 74 ARG N . 30602 2 137 . 2 . 2 75 75 GLY H H 1 8.738 . . 1 . . . . D 75 GLY H . 30602 2 138 . 2 . 2 75 75 GLY N N 15 112.238 . . 1 . . . . D 75 GLY N . 30602 2 139 . 2 . 2 76 76 GLY H H 1 8.172 . . 1 . . . . D 76 GLY H . 30602 2 140 . 2 . 2 76 76 GLY N N 15 109.087 . . 1 . . . . D 76 GLY N . 30602 2 stop_ save_