################################### # 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 50559 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '2D 1H-15N HSQC' _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 ; These were adapted from previous Burkart work in BMRB entry 27874. Which was itself assigned based on original work in BMRB entry 3. ; _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 Peak list of assignments' . . . 50559 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 . . 50559 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 25 25 ILE H H 1 8.641 . . . . . . . . 3 I H . 50559 1 2 . 1 . 1 25 25 ILE N N 15 121.462 . . . . . . . . 3 I N . 50559 1 3 . 1 . 1 26 26 GLU H H 1 8.603 . . . . . . . . 4 E H . 50559 1 4 . 1 . 1 26 26 GLU N N 15 118.642 . . . . . . . . 4 E N . 50559 1 5 . 1 . 1 27 27 GLU H H 1 7.837 . . . . . . . . 5 E H . 50559 1 6 . 1 . 1 27 27 GLU N N 15 117.359 . . . . . . . . 5 E N . 50559 1 7 . 1 . 1 28 28 ARG H H 1 8.332 . . . . . . . . 6 R H . 50559 1 8 . 1 . 1 28 28 ARG N N 15 119.718 . . . . . . . . 6 R N . 50559 1 9 . 1 . 1 29 29 VAL H H 1 8.907 . . . . . . . . 7 V H . 50559 1 10 . 1 . 1 29 29 VAL N N 15 119.028 . . . . . . . . 7 V N . 50559 1 11 . 1 . 1 30 30 LYS H H 1 8.219 . . . . . . . . 8 K H . 50559 1 12 . 1 . 1 30 30 LYS N N 15 117.094 . . . . . . . . 8 K N . 50559 1 13 . 1 . 1 31 31 LYS H H 1 8.269 . . . . . . . . 9 K H . 50559 1 14 . 1 . 1 31 31 LYS N N 15 120.408 . . . . . . . . 9 K N . 50559 1 15 . 1 . 1 32 32 ILE H H 1 7.613 . . . . . . . . 10 I H . 50559 1 16 . 1 . 1 32 32 ILE N N 15 119.29 . . . . . . . . 10 I N . 50559 1 17 . 1 . 1 33 33 ILE H H 1 8.308 . . . . . . . . 11 I H . 50559 1 18 . 1 . 1 33 33 ILE N N 15 118.874 . . . . . . . . 11 I N . 50559 1 19 . 1 . 1 34 34 GLY H H 1 8.472 . . . . . . . . 12 G H . 50559 1 20 . 1 . 1 34 34 GLY N N 15 105.301 . . . . . . . . 12 G N . 50559 1 21 . 1 . 1 35 35 GLU H H 1 8.198 . . . . . . . . 13 E H . 50559 1 22 . 1 . 1 35 35 GLU N N 15 120.094 . . . . . . . . 13 E N . 50559 1 23 . 1 . 1 36 36 GLN H H 1 8.401 . . . . . . . . 14 Q H . 50559 1 24 . 1 . 1 36 36 GLN N N 15 117.376 . . . . . . . . 14 Q N . 50559 1 25 . 1 . 1 37 37 LEU H H 1 8.085 . . . . . . . . 15 L H . 50559 1 26 . 1 . 1 37 37 LEU N N 15 113.377 . . . . . . . . 15 L N . 50559 1 27 . 1 . 1 38 38 GLY H H 1 7.807 . . . . . . . . 16 G H . 50559 1 28 . 1 . 1 38 38 GLY N N 15 109.745 . . . . . . . . 16 G N . 50559 1 29 . 1 . 1 39 39 VAL H H 1 7.87 . . . . . . . . 17 V H . 50559 1 30 . 1 . 1 39 39 VAL N N 15 114.547 . . . . . . . . 17 V N . 50559 1 31 . 1 . 1 40 40 LYS H H 1 8.528 . . . . . . . . 18 K H . 50559 1 32 . 1 . 1 40 40 LYS N N 15 123.034 . . . . . . . . 18 K N . 50559 1 33 . 1 . 1 41 41 GLN H H 1 8.781 . . . . . . . . 19 Q H . 50559 1 34 . 1 . 1 41 41 GLN N N 15 122.871 . . . . . . . . 19 Q N . 50559 1 35 . 1 . 1 42 42 GLU H H 1 9.409 . . . . . . . . 20 E H . 50559 1 36 . 1 . 1 42 42 GLU N N 15 116.506 . . . . . . . . 20 E N . 50559 1 37 . 1 . 1 43 43 GLU H H 1 7.87 . . . . . . . . 21 E H . 50559 1 38 . 1 . 1 43 43 GLU N N 15 116.907 . . . . . . . . 21 E N . 50559 1 39 . 1 . 1 44 44 VAL H H 1 7.521 . . . . . . . . 22 V H . 50559 1 40 . 1 . 1 44 44 VAL N N 15 122.248 . . . . . . . . 22 V N . 50559 1 41 . 1 . 1 45 45 THR H H 1 7.325 . . . . . . . . 23 T H . 50559 1 42 . 1 . 1 45 45 THR N N 15 115.535 . . . . . . . . 23 T N . 50559 1 43 . 1 . 1 46 46 ASN H H 1 8.576 . . . . . . . . 24 N H . 50559 1 44 . 1 . 1 46 46 ASN N N 15 118.782 . . . . . . . . 24 N N . 50559 1 45 . 1 . 1 47 47 ASN H H 1 8.085 . . . . . . . . 25 N H . 50559 1 46 . 1 . 1 47 47 ASN N N 15 111.907 . . . . . . . . 25 N N . 50559 1 47 . 1 . 1 48 48 ALA H H 1 7.288 . . . . . . . . 26 A H . 50559 1 48 . 1 . 1 48 48 ALA N N 15 122.801 . . . . . . . . 26 A N . 50559 1 49 . 1 . 1 49 49 SER H H 1 9.929 . . . . . . . . 27 S H . 50559 1 50 . 1 . 1 49 49 SER N N 15 116.914 . . . . . . . . 27 S N . 50559 1 51 . 1 . 1 50 50 PHE H H 1 7.553 . . . . . . . . 28 F H . 50559 1 52 . 1 . 1 50 50 PHE N N 15 124.992 . . . . . . . . 28 F N . 50559 1 53 . 1 . 1 51 51 VAL H H 1 8.753 . . . . . . . . 29 V H . 50559 1 54 . 1 . 1 51 51 VAL N N 15 116.609 . . . . . . . . 29 V N . 50559 1 55 . 1 . 1 52 52 GLU H H 1 8.297 . . . . . . . . 30 E H . 50559 1 56 . 1 . 1 52 52 GLU N N 15 116.727 . . . . . . . . 30 E N . 50559 1 57 . 1 . 1 53 53 ASP H H 1 7.793 . . . . . . . . 31 D H . 50559 1 58 . 1 . 1 53 53 ASP N N 15 114.375 . . . . . . . . 31 D N . 50559 1 59 . 1 . 1 54 54 LEU H H 1 7.349 . . . . . . . . 32 L H . 50559 1 60 . 1 . 1 54 54 LEU N N 15 115.354 . . . . . . . . 32 L N . 50559 1 61 . 1 . 1 55 55 GLY H H 1 7.223 . . . . . . . . 33 G H . 50559 1 62 . 1 . 1 55 55 GLY N N 15 106.396 . . . . . . . . 33 G N . 50559 1 63 . 1 . 1 56 56 ALA H H 1 8.447 . . . . . . . . 34 A H . 50559 1 64 . 1 . 1 56 56 ALA N N 15 122.591 . . . . . . . . 34 A N . 50559 1 65 . 1 . 1 57 57 ASP H H 1 9.304 . . . . . . . . 35 D H . 50559 1 66 . 1 . 1 57 57 ASP N N 15 123.073 . . . . . . . . 35 D N . 50559 1 67 . 1 . 1 58 58 SER H H 1 8.646 . . . . . . . . 36 S H . 50559 1 68 . 1 . 1 58 58 SER N N 15 113.13 . . . . . . . . 36 S N . 50559 1 69 . 1 . 1 59 59 LEU H H 1 8.167 . . . . . . . . 37 L H . 50559 1 70 . 1 . 1 59 59 LEU N N 15 123.47 . . . . . . . . 37 L N . 50559 1 71 . 1 . 1 60 60 ASP H H 1 8.332 . . . . . . . . 38 D H . 50559 1 72 . 1 . 1 60 60 ASP N N 15 119.718 . . . . . . . . 38 D N . 50559 1 73 . 1 . 1 61 61 THR H H 1 8.162 . . . . . . . . 39 T H . 50559 1 74 . 1 . 1 61 61 THR N N 15 111.74 . . . . . . . . 39 T N . 50559 1 75 . 1 . 1 62 62 VAL H H 1 7.222 . . . . . . . . 40 V H . 50559 1 76 . 1 . 1 62 62 VAL N N 15 120.989 . . . . . . . . 40 V N . 50559 1 77 . 1 . 1 63 63 GLU H H 1 7.805 . . . . . . . . 41 E H . 50559 1 78 . 1 . 1 63 63 GLU N N 15 119.026 . . . . . . . . 41 E N . 50559 1 79 . 1 . 1 64 64 LEU H H 1 8.396 . . . . . . . . 42 L H . 50559 1 80 . 1 . 1 64 64 LEU N N 15 121.287 . . . . . . . . 42 L N . 50559 1 81 . 1 . 1 65 65 VAL H H 1 7.974 . . . . . . . . 43 V H . 50559 1 82 . 1 . 1 65 65 VAL N N 15 119.028 . . . . . . . . 43 V N . 50559 1 83 . 1 . 1 66 66 MET H H 1 7.758 . . . . . . . . 44 M H . 50559 1 84 . 1 . 1 66 66 MET N N 15 116.92 . . . . . . . . 44 M N . 50559 1 85 . 1 . 1 67 67 ALA H H 1 8.128 . . . . . . . . 45 A H . 50559 1 86 . 1 . 1 67 67 ALA N N 15 121.393 . . . . . . . . 45 A N . 50559 1 87 . 1 . 1 68 68 LEU H H 1 8.383 . . . . . . . . 46 L H . 50559 1 88 . 1 . 1 68 68 LEU N N 15 120.4 . . . . . . . . 46 L N . 50559 1 89 . 1 . 1 69 69 GLU H H 1 8.694 . . . . . . . . 47 E H . 50559 1 90 . 1 . 1 69 69 GLU N N 15 119.861 . . . . . . . . 47 E N . 50559 1 91 . 1 . 1 70 70 GLU H H 1 7.843 . . . . . . . . 48 E H . 50559 1 92 . 1 . 1 70 70 GLU N N 15 116.94 . . . . . . . . 48 E N . 50559 1 93 . 1 . 1 71 71 GLU H H 1 7.939 . . . . . . . . 49 E H . 50559 1 94 . 1 . 1 71 71 GLU N N 15 119.554 . . . . . . . . 49 E N . 50559 1 95 . 1 . 1 72 72 PHE H H 1 7.779 . . . . . . . . 50 F H . 50559 1 96 . 1 . 1 72 72 PHE N N 15 111.414 . . . . . . . . 50 F N . 50559 1 97 . 1 . 1 73 73 ASP H H 1 7.862 . . . . . . . . 51 D H . 50559 1 98 . 1 . 1 73 73 ASP N N 15 122.208 . . . . . . . . 51 D N . 50559 1 99 . 1 . 1 74 74 THR H H 1 8.018 . . . . . . . . 52 T H . 50559 1 100 . 1 . 1 74 74 THR N N 15 112.082 . . . . . . . . 52 T N . 50559 1 101 . 1 . 1 75 75 GLU H H 1 8.109 . . . . . . . . 53 E H . 50559 1 102 . 1 . 1 75 75 GLU N N 15 122.444 . . . . . . . . 53 E N . 50559 1 103 . 1 . 1 76 76 ILE H H 1 10.293 . . . . . . . . 54 I H . 50559 1 104 . 1 . 1 76 76 ILE N N 15 128.625 . . . . . . . . 54 I N . 50559 1 105 . 1 . 1 78 78 ASP H H 1 8.906 . . . . . . . . 56 D H . 50559 1 106 . 1 . 1 78 78 ASP N N 15 125.298 . . . . . . . . 56 D N . 50559 1 107 . 1 . 1 79 79 GLU H H 1 9.253 . . . . . . . . 57 E H . 50559 1 108 . 1 . 1 79 79 GLU N N 15 116.194 . . . . . . . . 57 E N . 50559 1 109 . 1 . 1 80 80 GLU H H 1 7.21 . . . . . . . . 58 E H . 50559 1 110 . 1 . 1 80 80 GLU N N 15 115.894 . . . . . . . . 58 E N . 50559 1 111 . 1 . 1 81 81 ALA H H 1 8.175 . . . . . . . . 59 A H . 50559 1 112 . 1 . 1 81 81 ALA N N 15 122.838 . . . . . . . . 59 A N . 50559 1 113 . 1 . 1 82 82 GLU H H 1 7.549 . . . . . . . . 60 E H . 50559 1 114 . 1 . 1 82 82 GLU N N 15 112.185 . . . . . . . . 60 E N . 50559 1 115 . 1 . 1 83 83 LYS H H 1 7.024 . . . . . . . . 61 K H . 50559 1 116 . 1 . 1 83 83 LYS N N 15 113.994 . . . . . . . . 61 K N . 50559 1 117 . 1 . 1 84 84 ILE H H 1 7.62 . . . . . . . . 62 I H . 50559 1 118 . 1 . 1 84 84 ILE N N 15 122.631 . . . . . . . . 62 I N . 50559 1 119 . 1 . 1 85 85 THR H H 1 8.018 . . . . . . . . 63 T H . 50559 1 120 . 1 . 1 85 85 THR N N 15 112.082 . . . . . . . . 63 T N . 50559 1 121 . 1 . 1 86 86 THR H H 1 7.231 . . . . . . . . 64 T H . 50559 1 122 . 1 . 1 86 86 THR N N 15 110.211 . . . . . . . . 64 T N . 50559 1 123 . 1 . 1 87 87 VAL H H 1 7.988 . . . . . . . . 65 V H . 50559 1 124 . 1 . 1 87 87 VAL N N 15 121.401 . . . . . . . . 65 V N . 50559 1 125 . 1 . 1 88 88 GLN H H 1 8.676 . . . . . . . . 66 Q H . 50559 1 126 . 1 . 1 88 88 GLN N N 15 117.923 . . . . . . . . 66 Q N . 50559 1 127 . 1 . 1 89 89 ALA H H 1 7.775 . . . . . . . . 67 A H . 50559 1 128 . 1 . 1 89 89 ALA N N 15 119.227 . . . . . . . . 67 A N . 50559 1 129 . 1 . 1 90 90 ALA H H 1 7.938 . . . . . . . . 68 A H . 50559 1 130 . 1 . 1 90 90 ALA N N 15 122.625 . . . . . . . . 68 A N . 50559 1 131 . 1 . 1 91 91 ILE H H 1 8.111 . . . . . . . . 69 I H . 50559 1 132 . 1 . 1 91 91 ILE N N 15 119.034 . . . . . . . . 69 I N . 50559 1 133 . 1 . 1 92 92 ASP H H 1 9.107 . . . . . . . . 70 D H . 50559 1 134 . 1 . 1 92 92 ASP N N 15 119.083 . . . . . . . . 70 D N . 50559 1 135 . 1 . 1 93 93 TYR H H 1 8.156 . . . . . . . . 71 Y H . 50559 1 136 . 1 . 1 93 93 TYR N N 15 121.59 . . . . . . . . 71 Y N . 50559 1 137 . 1 . 1 94 94 ILE H H 1 8.192 . . . . . . . . 72 I H . 50559 1 138 . 1 . 1 94 94 ILE N N 15 120.692 . . . . . . . . 72 I N . 50559 1 139 . 1 . 1 95 95 ASN H H 1 8.832 . . . . . . . . 73 N H . 50559 1 140 . 1 . 1 95 95 ASN N N 15 118.199 . . . . . . . . 73 N N . 50559 1 141 . 1 . 1 96 96 GLY H H 1 7.826 . . . . . . . . 74 G H . 50559 1 142 . 1 . 1 96 96 GLY N N 15 104.927 . . . . . . . . 74 G N . 50559 1 143 . 1 . 1 97 97 HIS H H 1 7.64 . . . . . . . . 75 H H . 50559 1 144 . 1 . 1 97 97 HIS N N 15 118.559 . . . . . . . . 75 H N . 50559 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 50559 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name '2D 1H-15N HSQC' _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 ; These were adapted from previous Burkart work in BMRB entry 27874. Which was itself assigned based on original work in BMRB entry 3. ; _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 Peak list of assignments' . . . 50559 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 3 $software_3 . . 50559 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 25 25 ILE H H 1 8.638 . . . . . . . . 3 I H . 50559 2 2 . 1 . 1 25 25 ILE N N 15 121.449 . . . . . . . . 3 I N . 50559 2 3 . 1 . 1 26 26 GLU H H 1 8.601 . . . . . . . . 4 E H . 50559 2 4 . 1 . 1 26 26 GLU N N 15 118.641 . . . . . . . . 4 E N . 50559 2 5 . 1 . 1 27 27 GLU H H 1 7.836 . . . . . . . . 5 E H . 50559 2 6 . 1 . 1 27 27 GLU N N 15 117.343 . . . . . . . . 5 E N . 50559 2 7 . 1 . 1 28 28 ARG H H 1 8.336 . . . . . . . . 6 R H . 50559 2 8 . 1 . 1 28 28 ARG N N 15 119.862 . . . . . . . . 6 R N . 50559 2 9 . 1 . 1 29 29 VAL H H 1 8.903 . . . . . . . . 7 V H . 50559 2 10 . 1 . 1 29 29 VAL N N 15 118.952 . . . . . . . . 7 V N . 50559 2 11 . 1 . 1 30 30 LYS H H 1 8.222 . . . . . . . . 8 K H . 50559 2 12 . 1 . 1 30 30 LYS N N 15 117.113 . . . . . . . . 8 K N . 50559 2 13 . 1 . 1 31 31 LYS H H 1 8.26 . . . . . . . . 9 K H . 50559 2 14 . 1 . 1 31 31 LYS N N 15 120.392 . . . . . . . . 9 K N . 50559 2 15 . 1 . 1 32 32 ILE H H 1 7.616 . . . . . . . . 10 I H . 50559 2 16 . 1 . 1 32 32 ILE N N 15 119.308 . . . . . . . . 10 I N . 50559 2 17 . 1 . 1 33 33 ILE H H 1 8.299 . . . . . . . . 11 I H . 50559 2 18 . 1 . 1 33 33 ILE N N 15 118.886 . . . . . . . . 11 I N . 50559 2 19 . 1 . 1 34 34 GLY H H 1 8.47 . . . . . . . . 12 G H . 50559 2 20 . 1 . 1 34 34 GLY N N 15 105.323 . . . . . . . . 12 G N . 50559 2 21 . 1 . 1 35 35 GLU H H 1 8.197 . . . . . . . . 13 E H . 50559 2 22 . 1 . 1 35 35 GLU N N 15 120.039 . . . . . . . . 13 E N . 50559 2 23 . 1 . 1 36 36 GLN H H 1 117.25 . . . . . . . . 14 Q H . 50559 2 24 . 1 . 1 36 36 GLN N N 15 8.388 . . . . . . . . 14 Q N . 50559 2 25 . 1 . 1 37 37 LEU H H 1 8.072 . . . . . . . . 15 L H . 50559 2 26 . 1 . 1 37 37 LEU N N 15 113.35 . . . . . . . . 15 L N . 50559 2 27 . 1 . 1 38 38 GLY H H 1 7.802 . . . . . . . . 16 G H . 50559 2 28 . 1 . 1 38 38 GLY N N 15 109.731 . . . . . . . . 16 G N . 50559 2 29 . 1 . 1 39 39 VAL H H 1 7.858 . . . . . . . . 17 V H . 50559 2 30 . 1 . 1 39 39 VAL N N 15 114.443 . . . . . . . . 17 V N . 50559 2 31 . 1 . 1 40 40 LYS H H 1 8.527 . . . . . . . . 18 K H . 50559 2 32 . 1 . 1 40 40 LYS N N 15 122.99 . . . . . . . . 18 K N . 50559 2 33 . 1 . 1 41 41 GLN H H 1 122.824 . . . . . . . . 19 Q H . 50559 2 34 . 1 . 1 41 41 GLN N N 15 8.783 . . . . . . . . 19 Q N . 50559 2 35 . 1 . 1 42 42 GLU H H 1 9.416 . . . . . . . . 20 E H . 50559 2 36 . 1 . 1 42 42 GLU N N 15 116.531 . . . . . . . . 20 E N . 50559 2 37 . 1 . 1 43 43 GLU H H 1 7.864 . . . . . . . . 21 E H . 50559 2 38 . 1 . 1 43 43 GLU N N 15 116.89 . . . . . . . . 21 E N . 50559 2 39 . 1 . 1 44 44 VAL H H 1 7.518 . . . . . . . . 22 V H . 50559 2 40 . 1 . 1 44 44 VAL N N 15 122.217 . . . . . . . . 22 V N . 50559 2 41 . 1 . 1 45 45 THR H H 1 7.325 . . . . . . . . 23 T H . 50559 2 42 . 1 . 1 45 45 THR N N 15 115.459 . . . . . . . . 23 T N . 50559 2 43 . 1 . 1 46 46 ASN H H 1 118.641 . . . . . . . . 24 N H . 50559 2 44 . 1 . 1 46 46 ASN N N 15 8.601 . . . . . . . . 24 N N . 50559 2 45 . 1 . 1 47 47 ASN H H 1 111.961 . . . . . . . . 25 N H . 50559 2 46 . 1 . 1 47 47 ASN N N 15 8.073 . . . . . . . . 25 N N . 50559 2 47 . 1 . 1 48 48 ALA H H 1 7.289 . . . . . . . . 26 A H . 50559 2 48 . 1 . 1 48 48 ALA N N 15 122.761 . . . . . . . . 26 A N . 50559 2 49 . 1 . 1 49 49 SER H H 1 9.931 . . . . . . . . 27 S H . 50559 2 50 . 1 . 1 49 49 SER N N 15 117.148 . . . . . . . . 27 S N . 50559 2 51 . 1 . 1 50 50 PHE H H 1 7.557 . . . . . . . . 28 F H . 50559 2 52 . 1 . 1 50 50 PHE N N 15 125.027 . . . . . . . . 28 F N . 50559 2 53 . 1 . 1 51 51 VAL H H 1 8.757 . . . . . . . . 29 V H . 50559 2 54 . 1 . 1 51 51 VAL N N 15 116.635 . . . . . . . . 29 V N . 50559 2 55 . 1 . 1 52 52 GLU H H 1 8.298 . . . . . . . . 30 E H . 50559 2 56 . 1 . 1 52 52 GLU N N 15 116.709 . . . . . . . . 30 E N . 50559 2 57 . 1 . 1 53 53 ASP H H 1 7.759 . . . . . . . . 31 D H . 50559 2 58 . 1 . 1 53 53 ASP N N 15 113.743 . . . . . . . . 31 D N . 50559 2 59 . 1 . 1 54 54 LEU H H 1 7.325 . . . . . . . . 32 L H . 50559 2 60 . 1 . 1 54 54 LEU N N 15 115.459 . . . . . . . . 32 L N . 50559 2 61 . 1 . 1 55 55 GLY H H 1 7.225 . . . . . . . . 33 G H . 50559 2 62 . 1 . 1 55 55 GLY N N 15 106.375 . . . . . . . . 33 G N . 50559 2 63 . 1 . 1 56 56 ALA H H 1 8.448 . . . . . . . . 34 A H . 50559 2 64 . 1 . 1 56 56 ALA N N 15 122.545 . . . . . . . . 34 A N . 50559 2 65 . 1 . 1 57 57 ASP H H 1 9.308 . . . . . . . . 35 D H . 50559 2 66 . 1 . 1 57 57 ASP N N 15 122.911 . . . . . . . . 35 D N . 50559 2 67 . 1 . 1 58 58 SER H H 1 8.654 . . . . . . . . 36 S H . 50559 2 68 . 1 . 1 58 58 SER N N 15 112.929 . . . . . . . . 36 S N . 50559 2 69 . 1 . 1 59 59 LEU H H 1 8.16 . . . . . . . . 37 L H . 50559 2 70 . 1 . 1 59 59 LEU N N 15 123.447 . . . . . . . . 37 L N . 50559 2 71 . 1 . 1 60 60 ASP H H 1 8.336 . . . . . . . . 38 D H . 50559 2 72 . 1 . 1 60 60 ASP N N 15 119.862 . . . . . . . . 38 D N . 50559 2 73 . 1 . 1 61 61 THR H H 1 8.156 . . . . . . . . 39 T H . 50559 2 74 . 1 . 1 61 61 THR N N 15 111.584 . . . . . . . . 39 T N . 50559 2 75 . 1 . 1 62 62 VAL H H 1 7.224 . . . . . . . . 40 V H . 50559 2 76 . 1 . 1 62 62 VAL N N 15 120.974 . . . . . . . . 40 V N . 50559 2 77 . 1 . 1 63 63 GLU H H 1 7.829 . . . . . . . . 41 E H . 50559 2 78 . 1 . 1 63 63 GLU N N 15 119.16 . . . . . . . . 41 E N . 50559 2 79 . 1 . 1 64 64 LEU H H 1 8.399 . . . . . . . . 42 L H . 50559 2 80 . 1 . 1 64 64 LEU N N 15 120.987 . . . . . . . . 42 L N . 50559 2 81 . 1 . 1 65 65 VAL H H 1 7.986 . . . . . . . . 43 V H . 50559 2 82 . 1 . 1 65 65 VAL N N 15 119.136 . . . . . . . . 43 V N . 50559 2 83 . 1 . 1 66 66 MET H H 1 7.864 . . . . . . . . 44 M H . 50559 2 84 . 1 . 1 66 66 MET N N 15 116.89 . . . . . . . . 44 M N . 50559 2 85 . 1 . 1 67 67 ALA H H 1 8.129 . . . . . . . . 45 A H . 50559 2 86 . 1 . 1 67 67 ALA N N 15 120.939 . . . . . . . . 45 A N . 50559 2 87 . 1 . 1 68 68 LEU H H 1 8.389 . . . . . . . . 46 L H . 50559 2 88 . 1 . 1 68 68 LEU N N 15 120.377 . . . . . . . . 46 L N . 50559 2 89 . 1 . 1 69 69 GLU H H 1 8.678 . . . . . . . . 47 E H . 50559 2 90 . 1 . 1 69 69 GLU N N 15 119.738 . . . . . . . . 47 E N . 50559 2 91 . 1 . 1 70 70 GLU H H 1 7.864 . . . . . . . . 48 E H . 50559 2 92 . 1 . 1 70 70 GLU N N 15 116.89 . . . . . . . . 48 E N . 50559 2 93 . 1 . 1 71 71 GLU H H 1 7.949 . . . . . . . . 49 E H . 50559 2 94 . 1 . 1 71 71 GLU N N 15 119.395 . . . . . . . . 49 E N . 50559 2 95 . 1 . 1 72 72 PHE H H 1 7.767 . . . . . . . . 50 F H . 50559 2 96 . 1 . 1 72 72 PHE N N 15 111.515 . . . . . . . . 50 F N . 50559 2 97 . 1 . 1 73 73 ASP H H 1 7.851 . . . . . . . . 51 D H . 50559 2 98 . 1 . 1 73 73 ASP N N 15 122.13 . . . . . . . . 51 D N . 50559 2 99 . 1 . 1 74 74 THR H H 1 8.063 . . . . . . . . 52 T H . 50559 2 100 . 1 . 1 74 74 THR N N 15 112.116 . . . . . . . . 52 T N . 50559 2 101 . 1 . 1 75 75 GLU H H 1 8.108 . . . . . . . . 53 E H . 50559 2 102 . 1 . 1 75 75 GLU N N 15 122.399 . . . . . . . . 53 E N . 50559 2 103 . 1 . 1 78 78 ASP H H 1 8.923 . . . . . . . . 56 D H . 50559 2 104 . 1 . 1 78 78 ASP N N 15 125.326 . . . . . . . . 56 D N . 50559 2 105 . 1 . 1 79 79 GLU H H 1 9.287 . . . . . . . . 57 E H . 50559 2 106 . 1 . 1 79 79 GLU N N 15 116.143 . . . . . . . . 57 E N . 50559 2 107 . 1 . 1 80 80 GLU H H 1 7.201 . . . . . . . . 58 E H . 50559 2 108 . 1 . 1 80 80 GLU N N 15 115.909 . . . . . . . . 58 E N . 50559 2 109 . 1 . 1 81 81 ALA H H 1 8.177 . . . . . . . . 59 A H . 50559 2 110 . 1 . 1 81 81 ALA N N 15 122.841 . . . . . . . . 59 A N . 50559 2 111 . 1 . 1 82 82 GLU H H 1 7.551 . . . . . . . . 60 E H . 50559 2 112 . 1 . 1 82 82 GLU N N 15 112.295 . . . . . . . . 60 E N . 50559 2 113 . 1 . 1 83 83 LYS H H 1 7.022 . . . . . . . . 61 K H . 50559 2 114 . 1 . 1 83 83 LYS N N 15 113.943 . . . . . . . . 61 K N . 50559 2 115 . 1 . 1 84 84 ILE H H 1 7.62 . . . . . . . . 62 I H . 50559 2 116 . 1 . 1 84 84 ILE N N 15 122.463 . . . . . . . . 62 I N . 50559 2 117 . 1 . 1 85 85 THR H H 1 7.982 . . . . . . . . 63 T H . 50559 2 118 . 1 . 1 85 85 THR N N 15 112.24 . . . . . . . . 63 T N . 50559 2 119 . 1 . 1 86 86 THR H H 1 7.217 . . . . . . . . 64 T H . 50559 2 120 . 1 . 1 86 86 THR N N 15 110.217 . . . . . . . . 64 T N . 50559 2 121 . 1 . 1 87 87 VAL H H 1 7.988 . . . . . . . . 65 V H . 50559 2 122 . 1 . 1 87 87 VAL N N 15 121.328 . . . . . . . . 65 V N . 50559 2 123 . 1 . 1 88 88 GLN H H 1 117.878 . . . . . . . . 66 Q H . 50559 2 124 . 1 . 1 88 88 GLN N N 15 8.667 . . . . . . . . 66 Q N . 50559 2 125 . 1 . 1 89 89 ALA H H 1 7.782 . . . . . . . . 67 A H . 50559 2 126 . 1 . 1 89 89 ALA N N 15 119.197 . . . . . . . . 67 A N . 50559 2 127 . 1 . 1 90 90 ALA H H 1 7.932 . . . . . . . . 68 A H . 50559 2 128 . 1 . 1 90 90 ALA N N 15 122.54 . . . . . . . . 68 A N . 50559 2 129 . 1 . 1 91 91 ILE H H 1 8.103 . . . . . . . . 69 I H . 50559 2 130 . 1 . 1 91 91 ILE N N 15 118.979 . . . . . . . . 69 I N . 50559 2 131 . 1 . 1 92 92 ASP H H 1 9.109 . . . . . . . . 70 D H . 50559 2 132 . 1 . 1 92 92 ASP N N 15 119.061 . . . . . . . . 70 D N . 50559 2 133 . 1 . 1 93 93 TYR H H 1 8.151 . . . . . . . . 71 Y H . 50559 2 134 . 1 . 1 93 93 TYR N N 15 121.445 . . . . . . . . 71 Y N . 50559 2 135 . 1 . 1 94 94 ILE H H 1 8.195 . . . . . . . . 72 I H . 50559 2 136 . 1 . 1 94 94 ILE N N 15 120.641 . . . . . . . . 72 I N . 50559 2 137 . 1 . 1 95 95 ASN H H 1 118.183 . . . . . . . . 73 N H . 50559 2 138 . 1 . 1 95 95 ASN N N 15 8.825 . . . . . . . . 73 N N . 50559 2 139 . 1 . 1 96 96 GLY H H 1 7.828 . . . . . . . . 74 G H . 50559 2 140 . 1 . 1 96 96 GLY N N 15 104.964 . . . . . . . . 74 G N . 50559 2 141 . 1 . 1 97 97 HIS H H 1 7.643 . . . . . . . . 75 H H . 50559 2 142 . 1 . 1 97 97 HIS N N 15 118.604 . . . . . . . . 75 H N . 50559 2 stop_ save_