################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27791 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 TROSY' . . . 27791 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 9 9 VAL H H 1 8.152 0.002 . 1 . . . . . 9 V H . 27791 1 2 . 2 2 9 9 VAL N N 15 122.086 0.02 . 1 . . . . . 9 V N . 27791 1 3 . 2 2 22 22 LEU H H 1 8.057 0.002 . 1 . . . . . 22 L H . 27791 1 4 . 2 2 22 22 LEU N N 15 122.065 0.02 . 1 . . . . . 22 L N . 27791 1 5 . 2 2 23 23 GLN H H 1 10.934 0.002 . 1 . . . . . 23 Q H . 27791 1 6 . 2 2 23 23 GLN N N 15 124.112 0.02 . 1 . . . . . 23 Q N . 27791 1 7 . 2 2 24 24 PHE H H 1 8.712 0.002 . 1 . . . . . 24 F H . 27791 1 8 . 2 2 24 24 PHE N N 15 121.609 0.02 . 1 . . . . . 24 F N . 27791 1 9 . 2 2 26 26 VAL H H 1 8.029 0.002 . 1 . . . . . 26 V H . 27791 1 10 . 2 2 26 26 VAL N N 15 128.524 0.02 . 1 . . . . . 26 V N . 27791 1 11 . 2 2 28 28 ARG H H 1 7.357 0.002 . 1 . . . . . 28 R H . 27791 1 12 . 2 2 28 28 ARG N N 15 122.615 0.02 . 1 . . . . . 28 R N . 27791 1 13 . 2 2 29 29 ILE H H 1 7.959 0.002 . 1 . . . . . 29 I H . 27791 1 14 . 2 2 29 29 ILE N N 15 120.811 0.02 . 1 . . . . . 29 I N . 27791 1 15 . 2 2 30 30 HIS H H 1 8.938 0.002 . 1 . . . . . 30 H H . 27791 1 16 . 2 2 30 30 HIS N N 15 121.474 0.02 . 1 . . . . . 30 H N . 27791 1 17 . 2 2 31 31 ARG H H 1 7.881 0.002 . 1 . . . . . 31 R H . 27791 1 18 . 2 2 31 31 ARG N N 15 118.728 0.02 . 1 . . . . . 31 R N . 27791 1 19 . 2 2 32 32 LEU H H 1 8.476 0.002 . 1 . . . . . 32 L H . 27791 1 20 . 2 2 32 32 LEU N N 15 120.061 0.02 . 1 . . . . . 32 L N . 27791 1 21 . 2 2 33 33 LEU H H 1 8.536 0.002 . 1 . . . . . 33 L H . 27791 1 22 . 2 2 33 33 LEU N N 15 120.036 0.02 . 1 . . . . . 33 L N . 27791 1 23 . 2 2 34 34 ARG H H 1 8.182 0.002 . 1 . . . . . 34 R H . 27791 1 24 . 2 2 34 34 ARG N N 15 118.547 0.02 . 1 . . . . . 34 R N . 27791 1 25 . 2 2 35 35 LYS H H 1 8.658 0.002 . 1 . . . . . 35 K H . 27791 1 26 . 2 2 35 35 LYS N N 15 119.190 0.02 . 1 . . . . . 35 K N . 27791 1 27 . 2 2 36 36 GLY H H 1 7.548 0.002 . 1 . . . . . 36 G H . 27791 1 28 . 2 2 36 36 GLY N N 15 104.780 0.02 . 1 . . . . . 36 G N . 27791 1 29 . 2 2 37 37 ASN H H 1 7.928 0.002 . 1 . . . . . 37 N H . 27791 1 30 . 2 2 37 37 ASN N N 15 115.700 0.02 . 1 . . . . . 37 N N . 27791 1 31 . 2 2 38 38 TYR H H 1 8.138 0.002 . 1 . . . . . 38 Y H . 27791 1 32 . 2 2 38 38 TYR N N 15 117.738 0.02 . 1 . . . . . 38 Y N . 27791 1 33 . 2 2 39 39 ALA H H 1 8.131 0.002 . 1 . . . . . 39 A H . 27791 1 34 . 2 2 39 39 ALA N N 15 119.331 0.02 . 1 . . . . . 39 A N . 27791 1 35 . 2 2 40 40 GLU H H 1 8.532 0.002 . 1 . . . . . 40 E H . 27791 1 36 . 2 2 40 40 GLU N N 15 120.838 0.02 . 1 . . . . . 40 E N . 27791 1 37 . 2 2 41 41 ARG H H 1 8.004 0.002 . 1 . . . . . 41 R H . 27791 1 38 . 2 2 41 41 ARG N N 15 115.641 0.02 . 1 . . . . . 41 R N . 27791 1 39 . 2 2 42 42 VAL H H 1 8.599 0.002 . 1 . . . . . 42 V H . 27791 1 40 . 2 2 42 42 VAL N N 15 122.071 0.02 . 1 . . . . . 42 V N . 27791 1 41 . 2 2 43 43 GLY H H 1 9.221 0.002 . 1 . . . . . 43 G H . 27791 1 42 . 2 2 43 43 GLY N N 15 116.824 0.02 . 1 . . . . . 43 G N . 27791 1 43 . 2 2 44 44 ALA H H 1 8.484 0.002 . 1 . . . . . 44 A H . 27791 1 44 . 2 2 44 44 ALA N N 15 122.407 0.02 . 1 . . . . . 44 A N . 27791 1 45 . 2 2 46 46 ALA H H 1 7.431 0.002 . 1 . . . . . 46 A H . 27791 1 46 . 2 2 46 46 ALA N N 15 124.549 0.02 . 1 . . . . . 46 A N . 27791 1 47 . 2 2 48 48 VAL H H 1 6.224 0.002 . 1 . . . . . 48 V H . 27791 1 48 . 2 2 48 48 VAL N N 15 118.811 0.02 . 1 . . . . . 48 V N . 27791 1 49 . 2 2 49 49 TYR H H 1 7.886 0.002 . 1 . . . . . 49 Y H . 27791 1 50 . 2 2 49 49 TYR N N 15 120.532 0.02 . 1 . . . . . 49 Y N . 27791 1 51 . 2 2 50 50 LEU H H 1 8.270 0.002 . 1 . . . . . 50 L H . 27791 1 52 . 2 2 50 50 LEU N N 15 116.409 0.02 . 1 . . . . . 50 L N . 27791 1 53 . 2 2 51 51 ALA H H 1 8.467 0.002 . 1 . . . . . 51 A H . 27791 1 54 . 2 2 51 51 ALA N N 15 121.170 0.02 . 1 . . . . . 51 A N . 27791 1 55 . 2 2 52 52 ALA H H 1 7.905 0.002 . 1 . . . . . 52 A H . 27791 1 56 . 2 2 52 52 ALA N N 15 118.849 0.02 . 1 . . . . . 52 A N . 27791 1 57 . 2 2 53 53 VAL H H 1 7.965 0.002 . 1 . . . . . 53 V H . 27791 1 58 . 2 2 53 53 VAL N N 15 120.088 0.02 . 1 . . . . . 53 V N . 27791 1 59 . 2 2 54 54 MET H H 1 8.481 0.002 . 1 . . . . . 54 M H . 27791 1 60 . 2 2 54 54 MET N N 15 118.914 0.02 . 1 . . . . . 54 M N . 27791 1 61 . 2 2 55 55 GLU H H 1 7.905 0.002 . 1 . . . . . 55 E H . 27791 1 62 . 2 2 55 55 GLU N N 15 118.579 0.02 . 1 . . . . . 55 E N . 27791 1 63 . 2 2 56 56 TYR H H 1 7.865 0.002 . 1 . . . . . 56 Y H . 27791 1 64 . 2 2 56 56 TYR N N 15 118.824 0.02 . 1 . . . . . 56 Y N . 27791 1 65 . 2 2 57 57 LEU H H 1 7.977 0.002 . 1 . . . . . 57 L H . 27791 1 66 . 2 2 57 57 LEU N N 15 117.615 0.02 . 1 . . . . . 57 L N . 27791 1 67 . 2 2 58 58 ALA H H 1 8.033 0.002 . 1 . . . . . 58 A H . 27791 1 68 . 2 2 58 58 ALA N N 15 118.767 0.02 . 1 . . . . . 58 A N . 27791 1 69 . 2 2 59 59 ALA H H 1 8.547 0.002 . 1 . . . . . 59 A H . 27791 1 70 . 2 2 59 59 ALA N N 15 119.978 0.02 . 1 . . . . . 59 A N . 27791 1 71 . 2 2 60 60 GLU H H 1 8.037 0.002 . 1 . . . . . 60 E H . 27791 1 72 . 2 2 60 60 GLU N N 15 119.593 0.02 . 1 . . . . . 60 E N . 27791 1 73 . 2 2 61 61 VAL H H 1 7.584 0.002 . 1 . . . . . 61 V H . 27791 1 74 . 2 2 61 61 VAL N N 15 116.735 0.02 . 1 . . . . . 61 V N . 27791 1 75 . 2 2 62 62 LEU H H 1 8.607 0.002 . 1 . . . . . 62 L H . 27791 1 76 . 2 2 62 62 LEU N N 15 117.975 0.02 . 1 . . . . . 62 L N . 27791 1 77 . 2 2 63 63 GLU H H 1 9.049 0.002 . 1 . . . . . 63 E H . 27791 1 78 . 2 2 63 63 GLU N N 15 121.902 0.02 . 1 . . . . . 63 E N . 27791 1 79 . 2 2 64 64 LEU H H 1 7.732 0.002 . 1 . . . . . 64 L H . 27791 1 80 . 2 2 64 64 LEU N N 15 119.793 0.02 . 1 . . . . . 64 L N . 27791 1 81 . 2 2 65 65 ALA H H 1 9.365 0.002 . 1 . . . . . 65 A H . 27791 1 82 . 2 2 65 65 ALA N N 15 124.846 0.02 . 1 . . . . . 65 A N . 27791 1 83 . 2 2 66 66 GLY H H 1 8.830 0.002 . 1 . . . . . 66 G H . 27791 1 84 . 2 2 66 66 GLY N N 15 106.405 0.02 . 1 . . . . . 66 G N . 27791 1 85 . 2 2 67 67 ASN H H 1 7.821 0.002 . 1 . . . . . 67 N H . 27791 1 86 . 2 2 67 67 ASN N N 15 123.258 0.02 . 1 . . . . . 67 N N . 27791 1 87 . 2 2 68 68 ALA H H 1 7.468 0.002 . 1 . . . . . 68 A H . 27791 1 88 . 2 2 68 68 ALA N N 15 123.357 0.02 . 1 . . . . . 68 A N . 27791 1 89 . 2 2 69 69 ALA H H 1 7.807 0.002 . 1 . . . . . 69 A H . 27791 1 90 . 2 2 69 69 ALA N N 15 122.606 0.02 . 1 . . . . . 69 A N . 27791 1 91 . 2 2 70 70 ARG H H 1 7.784 0.002 . 1 . . . . . 70 R H . 27791 1 92 . 2 2 70 70 ARG N N 15 119.700 0.02 . 1 . . . . . 70 R N . 27791 1 93 . 2 2 71 71 ASP H H 1 8.493 0.002 . 1 . . . . . 71 D H . 27791 1 94 . 2 2 71 71 ASP N N 15 122.809 0.02 . 1 . . . . . 71 D N . 27791 1 95 . 2 2 72 72 ASN H H 1 7.371 0.002 . 1 . . . . . 72 N H . 27791 1 96 . 2 2 72 72 ASN N N 15 117.135 0.02 . 1 . . . . . 72 N N . 27791 1 97 . 2 2 73 73 LYS H H 1 8.101 0.002 . 1 . . . . . 73 K H . 27791 1 98 . 2 2 73 73 LYS N N 15 115.633 0.02 . 1 . . . . . 73 K N . 27791 1 99 . 2 2 74 74 LYS H H 1 8.189 0.002 . 1 . . . . . 74 K H . 27791 1 100 . 2 2 74 74 LYS N N 15 117.140 0.02 . 1 . . . . . 74 K N . 27791 1 101 . 2 2 76 76 ARG H H 1 7.063 0.002 . 1 . . . . . 76 R H . 27791 1 102 . 2 2 76 76 ARG N N 15 119.363 0.02 . 1 . . . . . 76 R N . 27791 1 103 . 2 2 77 77 ILE H H 1 8.468 0.002 . 1 . . . . . 77 I H . 27791 1 104 . 2 2 77 77 ILE N N 15 124.963 0.02 . 1 . . . . . 77 I N . 27791 1 105 . 2 2 78 78 ILE H H 1 8.979 0.002 . 1 . . . . . 78 I H . 27791 1 106 . 2 2 78 78 ILE N N 15 124.974 0.02 . 1 . . . . . 78 I N . 27791 1 107 . 2 2 81 81 HIS H H 1 7.368 0.002 . 1 . . . . . 81 H H . 27791 1 108 . 2 2 81 81 HIS N N 15 118.008 0.02 . 1 . . . . . 81 H N . 27791 1 109 . 2 2 82 82 LEU H H 1 7.085 0.002 . 1 . . . . . 82 L H . 27791 1 110 . 2 2 82 82 LEU N N 15 116.973 0.02 . 1 . . . . . 82 L N . 27791 1 111 . 2 2 83 83 GLN H H 1 7.958 0.002 . 1 . . . . . 83 Q H . 27791 1 112 . 2 2 83 83 GLN N N 15 116.635 0.02 . 1 . . . . . 83 Q N . 27791 1 113 . 2 2 84 84 LEU H H 1 8.134 0.002 . 1 . . . . . 84 L H . 27791 1 114 . 2 2 84 84 LEU N N 15 119.558 0.02 . 1 . . . . . 84 L N . 27791 1 115 . 2 2 85 85 ALA H H 1 7.719 0.002 . 1 . . . . . 85 A H . 27791 1 116 . 2 2 85 85 ALA N N 15 119.853 0.02 . 1 . . . . . 85 A N . 27791 1 117 . 2 2 86 86 ILE H H 1 7.600 0.002 . 1 . . . . . 86 I H . 27791 1 118 . 2 2 86 86 ILE N N 15 113.576 0.02 . 1 . . . . . 86 I N . 27791 1 119 . 2 2 87 87 ARG H H 1 7.865 0.002 . 1 . . . . . 87 R H . 27791 1 120 . 2 2 87 87 ARG N N 15 115.620 0.02 . 1 . . . . . 87 R N . 27791 1 121 . 2 2 88 88 ASN H H 1 7.600 0.002 . 1 . . . . . 88 N H . 27791 1 122 . 2 2 88 88 ASN N N 15 113.576 0.02 . 1 . . . . . 88 N N . 27791 1 123 . 2 2 89 89 ASP H H 1 7.357 0.002 . 1 . . . . . 89 D H . 27791 1 124 . 2 2 89 89 ASP N N 15 122.615 0.02 . 1 . . . . . 89 D N . 27791 1 125 . 2 2 90 90 GLU H H 1 8.854 0.002 . 1 . . . . . 90 E H . 27791 1 126 . 2 2 90 90 GLU N N 15 126.186 0.02 . 1 . . . . . 90 E N . 27791 1 127 . 2 2 91 91 GLU H H 1 8.082 0.002 . 1 . . . . . 91 E H . 27791 1 128 . 2 2 91 91 GLU N N 15 117.855 0.02 . 1 . . . . . 91 E N . 27791 1 129 . 2 2 92 92 LEU H H 1 9.146 0.002 . 1 . . . . . 92 L H . 27791 1 130 . 2 2 92 92 LEU N N 15 121.284 0.02 . 1 . . . . . 92 L N . 27791 1 131 . 2 2 93 93 ASN H H 1 8.854 0.002 . 1 . . . . . 93 N H . 27791 1 132 . 2 2 93 93 ASN N N 15 118.060 0.02 . 1 . . . . . 93 N N . 27791 1 133 . 2 2 94 94 LYS H H 1 7.503 0.002 . 1 . . . . . 94 K H . 27791 1 134 . 2 2 94 94 LYS N N 15 118.582 0.02 . 1 . . . . . 94 K N . 27791 1 135 . 2 2 95 95 LEU H H 1 8.040 0.002 . 1 . . . . . 95 L H . 27791 1 136 . 2 2 95 95 LEU N N 15 120.226 0.02 . 1 . . . . . 95 L N . 27791 1 137 . 2 2 97 97 SER H H 1 7.897 0.002 . 1 . . . . . 97 S H . 27791 1 138 . 2 2 97 97 SER N N 15 115.754 0.02 . 1 . . . . . 97 S N . 27791 1 139 . 2 2 99 99 VAL H H 1 7.759 0.002 . 1 . . . . . 99 V H . 27791 1 140 . 2 2 99 99 VAL N N 15 119.602 0.02 . 1 . . . . . 99 V N . 27791 1 141 . 2 2 100 100 THR H H 1 8.182 0.002 . 1 . . . . . 100 T H . 27791 1 142 . 2 2 100 100 THR N N 15 118.547 0.02 . 1 . . . . . 100 T N . 27791 1 143 . 2 2 102 102 ALA H H 1 8.199 0.002 . 1 . . . . . 102 A H . 27791 1 144 . 2 2 102 102 ALA N N 15 126.335 0.02 . 1 . . . . . 102 A N . 27791 1 145 . 2 2 106 106 VAL H H 1 7.906 0.002 . 1 . . . . . 106 V H . 27791 1 146 . 2 2 106 106 VAL N N 15 118.974 0.02 . 1 . . . . . 106 V N . 27791 1 147 . 2 2 107 107 LEU H H 1 8.334 0.002 . 1 . . . . . 107 L H . 27791 1 148 . 2 2 107 107 LEU N N 15 127.339 0.02 . 1 . . . . . 107 L N . 27791 1 149 . 2 2 110 110 ILE H H 1 7.959 0.002 . 1 . . . . . 110 I H . 27791 1 150 . 2 2 110 110 ILE N N 15 120.811 0.02 . 1 . . . . . 110 I N . 27791 1 151 . 2 2 112 112 ALA H H 1 8.135 0.002 . 1 . . . . . 112 A H . 27791 1 152 . 2 2 112 112 ALA N N 15 125.214 0.02 . 1 . . . . . 112 A N . 27791 1 153 . 2 2 113 113 VAL H H 1 7.943 0.002 . 1 . . . . . 113 V H . 27791 1 154 . 2 2 113 113 VAL N N 15 119.177 0.02 . 1 . . . . . 113 V N . 27791 1 155 . 2 2 114 114 LEU H H 1 8.151 0.002 . 1 . . . . . 114 L H . 27791 1 156 . 2 2 114 114 LEU N N 15 125.164 0.02 . 1 . . . . . 114 L N . 27791 1 157 . 2 2 115 115 LEU H H 1 8.087 0.002 . 1 . . . . . 115 L H . 27791 1 158 . 2 2 115 115 LEU N N 15 125.190 0.02 . 1 . . . . . 115 L N . 27791 1 159 . 2 2 123 123 ALA H H 1 7.995 0.002 . 1 . . . . . 123 A H . 27791 1 160 . 2 2 123 123 ALA N N 15 131.847 0.02 . 1 . . . . . 123 A N . 27791 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_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27791 _Assigned_chem_shift_list.ID 2 _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 $chemical_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 TROSY' . . . 27791 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 9 9 VAL H H 1 8.152 0.002 . 1 . . . . . 9 V H . 27791 2 2 . 2 2 9 9 VAL N N 15 122.155 0.02 . 1 . . . . . 9 V N . 27791 2 3 . 2 2 22 22 LEU H H 1 8.056 0.002 . 1 . . . . . 22 L H . 27791 2 4 . 2 2 22 22 LEU N N 15 122.061 0.02 . 1 . . . . . 22 L N . 27791 2 5 . 2 2 23 23 GLN H H 1 10.937 0.002 . 1 . . . . . 23 Q H . 27791 2 6 . 2 2 23 23 GLN N N 15 124.102 0.02 . 1 . . . . . 23 Q N . 27791 2 7 . 2 2 24 24 PHE H H 1 8.713 0.002 . 1 . . . . . 24 F H . 27791 2 8 . 2 2 24 24 PHE N N 15 121.606 0.02 . 1 . . . . . 24 F N . 27791 2 9 . 2 2 26 26 VAL H H 1 8.030 0.002 . 1 . . . . . 26 V H . 27791 2 10 . 2 2 26 26 VAL N N 15 128.519 0.02 . 1 . . . . . 26 V N . 27791 2 11 . 2 2 28 28 ARG H H 1 7.356 0.002 . 1 . . . . . 28 R H . 27791 2 12 . 2 2 28 28 ARG N N 15 122.611 0.02 . 1 . . . . . 28 R N . 27791 2 13 . 2 2 29 29 ILE H H 1 7.960 0.002 . 1 . . . . . 29 I H . 27791 2 14 . 2 2 29 29 ILE N N 15 120.811 0.02 . 1 . . . . . 29 I N . 27791 2 15 . 2 2 30 30 HIS H H 1 8.938 0.002 . 1 . . . . . 30 H H . 27791 2 16 . 2 2 30 30 HIS N N 15 121.458 0.02 . 1 . . . . . 30 H N . 27791 2 17 . 2 2 31 31 ARG H H 1 7.887 0.002 . 1 . . . . . 31 R H . 27791 2 18 . 2 2 31 31 ARG N N 15 118.748 0.02 . 1 . . . . . 31 R N . 27791 2 19 . 2 2 32 32 LEU H H 1 8.480 0.002 . 1 . . . . . 32 L H . 27791 2 20 . 2 2 32 32 LEU N N 15 120.057 0.02 . 1 . . . . . 32 L N . 27791 2 21 . 2 2 33 33 LEU H H 1 8.540 0.002 . 1 . . . . . 33 L H . 27791 2 22 . 2 2 33 33 LEU N N 15 120.034 0.02 . 1 . . . . . 33 L N . 27791 2 23 . 2 2 34 34 ARG H H 1 8.182 0.002 . 1 . . . . . 34 R H . 27791 2 24 . 2 2 34 34 ARG N N 15 118.549 0.02 . 1 . . . . . 34 R N . 27791 2 25 . 2 2 35 35 LYS H H 1 8.658 0.002 . 1 . . . . . 35 K H . 27791 2 26 . 2 2 35 35 LYS N N 15 119.202 0.02 . 1 . . . . . 35 K N . 27791 2 27 . 2 2 36 36 GLY H H 1 7.550 0.002 . 1 . . . . . 36 G H . 27791 2 28 . 2 2 36 36 GLY N N 15 104.797 0.02 . 1 . . . . . 36 G N . 27791 2 29 . 2 2 37 37 ASN H H 1 7.925 0.002 . 1 . . . . . 37 N H . 27791 2 30 . 2 2 37 37 ASN N N 15 115.700 0.02 . 1 . . . . . 37 N N . 27791 2 31 . 2 2 38 38 TYR H H 1 8.138 0.002 . 1 . . . . . 38 Y H . 27791 2 32 . 2 2 38 38 TYR N N 15 117.725 0.02 . 1 . . . . . 38 Y N . 27791 2 33 . 2 2 39 39 ALA H H 1 8.134 0.002 . 1 . . . . . 39 A H . 27791 2 34 . 2 2 39 39 ALA N N 15 119.368 0.02 . 1 . . . . . 39 A N . 27791 2 35 . 2 2 40 40 GLU H H 1 8.532 0.002 . 1 . . . . . 40 E H . 27791 2 36 . 2 2 40 40 GLU N N 15 120.823 0.02 . 1 . . . . . 40 E N . 27791 2 37 . 2 2 41 41 ARG H H 1 8.005 0.002 . 1 . . . . . 41 R H . 27791 2 38 . 2 2 41 41 ARG N N 15 115.644 0.02 . 1 . . . . . 41 R N . 27791 2 39 . 2 2 42 42 VAL H H 1 8.596 0.002 . 1 . . . . . 42 V H . 27791 2 40 . 2 2 42 42 VAL N N 15 122.071 0.02 . 1 . . . . . 42 V N . 27791 2 41 . 2 2 43 43 GLY H H 1 9.223 0.002 . 1 . . . . . 43 G H . 27791 2 42 . 2 2 43 43 GLY N N 15 116.822 0.02 . 1 . . . . . 43 G N . 27791 2 43 . 2 2 44 44 ALA H H 1 8.481 0.002 . 1 . . . . . 44 A H . 27791 2 44 . 2 2 44 44 ALA N N 15 122.407 0.02 . 1 . . . . . 44 A N . 27791 2 45 . 2 2 46 46 ALA H H 1 7.432 0.002 . 1 . . . . . 46 A H . 27791 2 46 . 2 2 46 46 ALA N N 15 124.546 0.02 . 1 . . . . . 46 A N . 27791 2 47 . 2 2 48 48 VAL H H 1 6.225 0.002 . 1 . . . . . 48 V H . 27791 2 48 . 2 2 48 48 VAL N N 15 118.818 0.02 . 1 . . . . . 48 V N . 27791 2 49 . 2 2 49 49 TYR H H 1 7.886 0.002 . 1 . . . . . 49 Y H . 27791 2 50 . 2 2 49 49 TYR N N 15 120.548 0.02 . 1 . . . . . 49 Y N . 27791 2 51 . 2 2 50 50 LEU H H 1 8.272 0.002 . 1 . . . . . 50 L H . 27791 2 52 . 2 2 50 50 LEU N N 15 116.419 0.02 . 1 . . . . . 50 L N . 27791 2 53 . 2 2 51 51 ALA H H 1 8.467 0.002 . 1 . . . . . 51 A H . 27791 2 54 . 2 2 51 51 ALA N N 15 121.176 0.02 . 1 . . . . . 51 A N . 27791 2 55 . 2 2 52 52 ALA H H 1 7.902 0.002 . 1 . . . . . 52 A H . 27791 2 56 . 2 2 52 52 ALA N N 15 118.849 0.02 . 1 . . . . . 52 A N . 27791 2 57 . 2 2 53 53 VAL H H 1 7.963 0.002 . 1 . . . . . 53 V H . 27791 2 58 . 2 2 53 53 VAL N N 15 120.082 0.02 . 1 . . . . . 53 V N . 27791 2 59 . 2 2 54 54 MET H H 1 8.479 0.002 . 1 . . . . . 54 M H . 27791 2 60 . 2 2 54 54 MET N N 15 118.904 0.02 . 1 . . . . . 54 M N . 27791 2 61 . 2 2 55 55 GLU H H 1 7.906 0.002 . 1 . . . . . 55 E H . 27791 2 62 . 2 2 55 55 GLU N N 15 118.585 0.02 . 1 . . . . . 55 E N . 27791 2 63 . 2 2 56 56 TYR H H 1 7.864 0.002 . 1 . . . . . 56 Y H . 27791 2 64 . 2 2 56 56 TYR N N 15 118.824 0.02 . 1 . . . . . 56 Y N . 27791 2 65 . 2 2 57 57 LEU H H 1 7.980 0.002 . 1 . . . . . 57 L H . 27791 2 66 . 2 2 57 57 LEU N N 15 117.620 0.02 . 1 . . . . . 57 L N . 27791 2 67 . 2 2 58 58 ALA H H 1 8.035 0.002 . 1 . . . . . 58 A H . 27791 2 68 . 2 2 58 58 ALA N N 15 118.787 0.02 . 1 . . . . . 58 A N . 27791 2 69 . 2 2 59 59 ALA H H 1 8.556 0.002 . 1 . . . . . 59 A H . 27791 2 70 . 2 2 59 59 ALA N N 15 119.998 0.02 . 1 . . . . . 59 A N . 27791 2 71 . 2 2 60 60 GLU H H 1 8.040 0.002 . 1 . . . . . 60 E H . 27791 2 72 . 2 2 60 60 GLU N N 15 119.611 0.02 . 1 . . . . . 60 E N . 27791 2 73 . 2 2 61 61 VAL H H 1 7.584 0.002 . 1 . . . . . 61 V H . 27791 2 74 . 2 2 61 61 VAL N N 15 116.727 0.02 . 1 . . . . . 61 V N . 27791 2 75 . 2 2 62 62 LEU H H 1 8.608 0.002 . 1 . . . . . 62 L H . 27791 2 76 . 2 2 62 62 LEU N N 15 117.971 0.02 . 1 . . . . . 62 L N . 27791 2 77 . 2 2 63 63 GLU H H 1 9.050 0.002 . 1 . . . . . 63 E H . 27791 2 78 . 2 2 63 63 GLU N N 15 121.918 0.02 . 1 . . . . . 63 E N . 27791 2 79 . 2 2 64 64 LEU H H 1 7.729 0.002 . 1 . . . . . 64 L H . 27791 2 80 . 2 2 64 64 LEU N N 15 119.793 0.02 . 1 . . . . . 64 L N . 27791 2 81 . 2 2 65 65 ALA H H 1 9.367 0.002 . 1 . . . . . 65 A H . 27791 2 82 . 2 2 65 65 ALA N N 15 124.831 0.02 . 1 . . . . . 65 A N . 27791 2 83 . 2 2 66 66 GLY H H 1 8.832 0.002 . 1 . . . . . 66 G H . 27791 2 84 . 2 2 66 66 GLY N N 15 106.404 0.02 . 1 . . . . . 66 G N . 27791 2 85 . 2 2 67 67 ASN H H 1 7.821 0.002 . 1 . . . . . 67 N H . 27791 2 86 . 2 2 67 67 ASN N N 15 123.290 0.02 . 1 . . . . . 67 N N . 27791 2 87 . 2 2 68 68 ALA H H 1 7.473 0.002 . 1 . . . . . 68 A H . 27791 2 88 . 2 2 68 68 ALA N N 15 123.383 0.02 . 1 . . . . . 68 A N . 27791 2 89 . 2 2 69 69 ALA H H 1 7.809 0.002 . 1 . . . . . 69 A H . 27791 2 90 . 2 2 69 69 ALA N N 15 122.608 0.02 . 1 . . . . . 69 A N . 27791 2 91 . 2 2 70 70 ARG H H 1 7.781 0.002 . 1 . . . . . 70 R H . 27791 2 92 . 2 2 70 70 ARG N N 15 119.700 0.02 . 1 . . . . . 70 R N . 27791 2 93 . 2 2 71 71 ASP H H 1 8.495 0.002 . 1 . . . . . 71 D H . 27791 2 94 . 2 2 71 71 ASP N N 15 122.803 0.02 . 1 . . . . . 71 D N . 27791 2 95 . 2 2 72 72 ASN H H 1 7.374 0.002 . 1 . . . . . 72 N H . 27791 2 96 . 2 2 72 72 ASN N N 15 117.123 0.02 . 1 . . . . . 72 N N . 27791 2 97 . 2 2 73 73 LYS H H 1 8.101 0.002 . 1 . . . . . 73 K H . 27791 2 98 . 2 2 73 73 LYS N N 15 115.645 0.02 . 1 . . . . . 73 K N . 27791 2 99 . 2 2 74 74 LYS H H 1 8.192 0.002 . 1 . . . . . 74 K H . 27791 2 100 . 2 2 74 74 LYS N N 15 117.141 0.02 . 1 . . . . . 74 K N . 27791 2 101 . 2 2 76 76 ARG H H 1 7.065 0.002 . 1 . . . . . 76 R H . 27791 2 102 . 2 2 76 76 ARG N N 15 119.360 0.02 . 1 . . . . . 76 R N . 27791 2 103 . 2 2 77 77 ILE H H 1 8.467 0.002 . 1 . . . . . 77 I H . 27791 2 104 . 2 2 77 77 ILE N N 15 124.959 0.02 . 1 . . . . . 77 I N . 27791 2 105 . 2 2 78 78 ILE H H 1 8.981 0.002 . 1 . . . . . 78 I H . 27791 2 106 . 2 2 78 78 ILE N N 15 124.967 0.02 . 1 . . . . . 78 I N . 27791 2 107 . 2 2 81 81 HIS H H 1 7.369 0.002 . 1 . . . . . 81 H H . 27791 2 108 . 2 2 81 81 HIS N N 15 118.013 0.02 . 1 . . . . . 81 H N . 27791 2 109 . 2 2 82 82 LEU H H 1 7.090 0.002 . 1 . . . . . 82 L H . 27791 2 110 . 2 2 82 82 LEU N N 15 116.974 0.02 . 1 . . . . . 82 L N . 27791 2 111 . 2 2 83 83 GLN H H 1 7.958 0.002 . 1 . . . . . 83 Q H . 27791 2 112 . 2 2 83 83 GLN N N 15 116.606 0.02 . 1 . . . . . 83 Q N . 27791 2 113 . 2 2 84 84 LEU H H 1 8.133 0.002 . 1 . . . . . 84 L H . 27791 2 114 . 2 2 84 84 LEU N N 15 119.556 0.02 . 1 . . . . . 84 L N . 27791 2 115 . 2 2 85 85 ALA H H 1 7.718 0.002 . 1 . . . . . 85 A H . 27791 2 116 . 2 2 85 85 ALA N N 15 119.876 0.02 . 1 . . . . . 85 A N . 27791 2 117 . 2 2 86 86 ILE H H 1 7.600 0.002 . 1 . . . . . 86 I H . 27791 2 118 . 2 2 86 86 ILE N N 15 113.575 0.02 . 1 . . . . . 86 I N . 27791 2 119 . 2 2 87 87 ARG H H 1 7.867 0.002 . 1 . . . . . 87 R H . 27791 2 120 . 2 2 87 87 ARG N N 15 115.616 0.02 . 1 . . . . . 87 R N . 27791 2 121 . 2 2 88 88 ASN H H 1 7.600 0.002 . 1 . . . . . 88 N H . 27791 2 122 . 2 2 88 88 ASN N N 15 113.575 0.02 . 1 . . . . . 88 N N . 27791 2 123 . 2 2 89 89 ASP H H 1 7.356 0.002 . 1 . . . . . 89 D H . 27791 2 124 . 2 2 89 89 ASP N N 15 122.611 0.02 . 1 . . . . . 89 D N . 27791 2 125 . 2 2 90 90 GLU H H 1 8.853 0.002 . 1 . . . . . 90 E H . 27791 2 126 . 2 2 90 90 GLU N N 15 126.159 0.02 . 1 . . . . . 90 E N . 27791 2 127 . 2 2 91 91 GLU H H 1 8.083 0.002 . 1 . . . . . 91 E H . 27791 2 128 . 2 2 91 91 GLU N N 15 117.849 0.02 . 1 . . . . . 91 E N . 27791 2 129 . 2 2 92 92 LEU H H 1 9.146 0.002 . 1 . . . . . 92 L H . 27791 2 130 . 2 2 92 92 LEU N N 15 121.313 0.02 . 1 . . . . . 92 L N . 27791 2 131 . 2 2 93 93 ASN H H 1 8.849 0.002 . 1 . . . . . 93 N H . 27791 2 132 . 2 2 93 93 ASN N N 15 118.087 0.02 . 1 . . . . . 93 N N . 27791 2 133 . 2 2 94 94 LYS H H 1 7.502 0.002 . 1 . . . . . 94 K H . 27791 2 134 . 2 2 94 94 LYS N N 15 118.567 0.02 . 1 . . . . . 94 K N . 27791 2 135 . 2 2 95 95 LEU H H 1 8.043 0.002 . 1 . . . . . 95 L H . 27791 2 136 . 2 2 95 95 LEU N N 15 120.231 0.02 . 1 . . . . . 95 L N . 27791 2 137 . 2 2 97 97 SER H H 1 7.892 0.002 . 1 . . . . . 97 S H . 27791 2 138 . 2 2 97 97 SER N N 15 115.719 0.02 . 1 . . . . . 97 S N . 27791 2 139 . 2 2 99 99 VAL H H 1 7.759 0.002 . 1 . . . . . 99 V H . 27791 2 140 . 2 2 99 99 VAL N N 15 119.598 0.02 . 1 . . . . . 99 V N . 27791 2 141 . 2 2 100 100 THR H H 1 8.182 0.002 . 1 . . . . . 100 T H . 27791 2 142 . 2 2 100 100 THR N N 15 118.549 0.02 . 1 . . . . . 100 T N . 27791 2 143 . 2 2 102 102 ALA H H 1 8.202 0.002 . 1 . . . . . 102 A H . 27791 2 144 . 2 2 102 102 ALA N N 15 126.356 0.02 . 1 . . . . . 102 A N . 27791 2 145 . 2 2 106 106 VAL H H 1 7.908 0.002 . 1 . . . . . 106 V H . 27791 2 146 . 2 2 106 106 VAL N N 15 118.972 0.02 . 1 . . . . . 106 V N . 27791 2 147 . 2 2 107 107 LEU H H 1 8.334 0.002 . 1 . . . . . 107 L H . 27791 2 148 . 2 2 107 107 LEU N N 15 127.340 0.02 . 1 . . . . . 107 L N . 27791 2 149 . 2 2 110 110 ILE H H 1 7.960 0.002 . 1 . . . . . 110 I H . 27791 2 150 . 2 2 110 110 ILE N N 15 120.811 0.02 . 1 . . . . . 110 I N . 27791 2 151 . 2 2 112 112 ALA H H 1 8.132 0.002 . 1 . . . . . 112 A H . 27791 2 152 . 2 2 112 112 ALA N N 15 125.214 0.02 . 1 . . . . . 112 A N . 27791 2 153 . 2 2 113 113 VAL H H 1 7.946 0.002 . 1 . . . . . 113 V H . 27791 2 154 . 2 2 113 113 VAL N N 15 119.292 0.02 . 1 . . . . . 113 V N . 27791 2 155 . 2 2 114 114 LEU H H 1 8.152 0.002 . 1 . . . . . 114 L H . 27791 2 156 . 2 2 114 114 LEU N N 15 125.157 0.02 . 1 . . . . . 114 L N . 27791 2 157 . 2 2 115 115 LEU H H 1 8.088 0.002 . 1 . . . . . 115 L H . 27791 2 158 . 2 2 115 115 LEU N N 15 125.201 0.02 . 1 . . . . . 115 L N . 27791 2 159 . 2 2 123 123 ALA H H 1 7.996 0.002 . 1 . . . . . 123 A H . 27791 2 160 . 2 2 123 123 ALA N N 15 131.849 0.02 . 1 . . . . . 123 A N . 27791 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_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 27791 _Assigned_chem_shift_list.ID 3 _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 $chemical_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 TROSY' . . . 27791 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 9 9 VAL H H 1 8.143 0.002 . 1 . . . . . 9 V H . 27791 3 2 . 2 2 9 9 VAL N N 15 122.147 0.02 . 1 . . . . . 9 V N . 27791 3 3 . 2 2 22 22 LEU H H 1 8.051 0.002 . 1 . . . . . 22 L H . 27791 3 4 . 2 2 22 22 LEU N N 15 121.970 0.02 . 1 . . . . . 22 L N . 27791 3 5 . 2 2 23 23 GLN H H 1 10.936 0.002 . 1 . . . . . 23 Q H . 27791 3 6 . 2 2 23 23 GLN N N 15 124.035 0.02 . 1 . . . . . 23 Q N . 27791 3 7 . 2 2 24 24 PHE H H 1 8.712 0.002 . 1 . . . . . 24 F H . 27791 3 8 . 2 2 24 24 PHE N N 15 121.599 0.02 . 1 . . . . . 24 F N . 27791 3 9 . 2 2 26 26 VAL H H 1 8.028 0.002 . 1 . . . . . 26 V H . 27791 3 10 . 2 2 26 26 VAL N N 15 128.498 0.02 . 1 . . . . . 26 V N . 27791 3 11 . 2 2 28 28 ARG H H 1 7.355 0.002 . 1 . . . . . 28 R H . 27791 3 12 . 2 2 28 28 ARG N N 15 122.630 0.02 . 1 . . . . . 28 R N . 27791 3 13 . 2 2 29 29 ILE H H 1 7.961 0.002 . 1 . . . . . 29 I H . 27791 3 14 . 2 2 29 29 ILE N N 15 120.818 0.02 . 1 . . . . . 29 I N . 27791 3 15 . 2 2 30 30 HIS H H 1 8.934 0.002 . 1 . . . . . 30 H H . 27791 3 16 . 2 2 30 30 HIS N N 15 121.475 0.02 . 1 . . . . . 30 H N . 27791 3 17 . 2 2 31 31 ARG H H 1 7.887 0.002 . 1 . . . . . 31 R H . 27791 3 18 . 2 2 31 31 ARG N N 15 118.748 0.02 . 1 . . . . . 31 R N . 27791 3 19 . 2 2 32 32 LEU H H 1 8.477 0.002 . 1 . . . . . 32 L H . 27791 3 20 . 2 2 32 32 LEU N N 15 120.086 0.02 . 1 . . . . . 32 L N . 27791 3 21 . 2 2 33 33 LEU H H 1 8.540 0.002 . 1 . . . . . 33 L H . 27791 3 22 . 2 2 33 33 LEU N N 15 120.057 0.02 . 1 . . . . . 33 L N . 27791 3 23 . 2 2 34 34 ARG H H 1 8.180 0.002 . 1 . . . . . 34 R H . 27791 3 24 . 2 2 34 34 ARG N N 15 118.558 0.02 . 1 . . . . . 34 R N . 27791 3 25 . 2 2 35 35 LYS H H 1 8.660 0.002 . 1 . . . . . 35 K H . 27791 3 26 . 2 2 35 35 LYS N N 15 119.208 0.02 . 1 . . . . . 35 K N . 27791 3 27 . 2 2 36 36 GLY H H 1 7.551 0.002 . 1 . . . . . 36 G H . 27791 3 28 . 2 2 36 36 GLY N N 15 104.782 0.02 . 1 . . . . . 36 G N . 27791 3 29 . 2 2 37 37 ASN H H 1 7.925 0.002 . 1 . . . . . 37 N H . 27791 3 30 . 2 2 37 37 ASN N N 15 115.700 0.02 . 1 . . . . . 37 N N . 27791 3 31 . 2 2 38 38 TYR H H 1 8.138 0.002 . 1 . . . . . 38 Y H . 27791 3 32 . 2 2 38 38 TYR N N 15 117.732 0.02 . 1 . . . . . 38 Y N . 27791 3 33 . 2 2 39 39 ALA H H 1 8.134 0.002 . 1 . . . . . 39 A H . 27791 3 34 . 2 2 39 39 ALA N N 15 119.344 0.02 . 1 . . . . . 39 A N . 27791 3 35 . 2 2 40 40 GLU H H 1 8.532 0.002 . 1 . . . . . 40 E H . 27791 3 36 . 2 2 40 40 GLU N N 15 120.836 0.02 . 1 . . . . . 40 E N . 27791 3 37 . 2 2 41 41 ARG H H 1 8.005 0.002 . 1 . . . . . 41 R H . 27791 3 38 . 2 2 41 41 ARG N N 15 115.644 0.02 . 1 . . . . . 41 R N . 27791 3 39 . 2 2 42 42 VAL H H 1 8.596 0.002 . 1 . . . . . 42 V H . 27791 3 40 . 2 2 42 42 VAL N N 15 122.071 0.02 . 1 . . . . . 42 V N . 27791 3 41 . 2 2 43 43 GLY H H 1 9.223 0.002 . 1 . . . . . 43 G H . 27791 3 42 . 2 2 43 43 GLY N N 15 116.833 0.02 . 1 . . . . . 43 G N . 27791 3 43 . 2 2 44 44 ALA H H 1 8.481 0.002 . 1 . . . . . 44 A H . 27791 3 44 . 2 2 44 44 ALA N N 15 122.407 0.02 . 1 . . . . . 44 A N . 27791 3 45 . 2 2 46 46 ALA H H 1 7.432 0.002 . 1 . . . . . 46 A H . 27791 3 46 . 2 2 46 46 ALA N N 15 124.556 0.02 . 1 . . . . . 46 A N . 27791 3 47 . 2 2 48 48 VAL H H 1 6.221 0.002 . 1 . . . . . 48 V H . 27791 3 48 . 2 2 48 48 VAL N N 15 118.815 0.02 . 1 . . . . . 48 V N . 27791 3 49 . 2 2 49 49 TYR H H 1 7.882 0.002 . 1 . . . . . 49 Y H . 27791 3 50 . 2 2 49 49 TYR N N 15 120.526 0.02 . 1 . . . . . 49 Y N . 27791 3 51 . 2 2 50 50 LEU H H 1 8.272 0.002 . 1 . . . . . 50 L H . 27791 3 52 . 2 2 50 50 LEU N N 15 116.419 0.02 . 1 . . . . . 50 L N . 27791 3 53 . 2 2 51 51 ALA H H 1 8.460 0.002 . 1 . . . . . 51 A H . 27791 3 54 . 2 2 51 51 ALA N N 15 121.142 0.02 . 1 . . . . . 51 A N . 27791 3 55 . 2 2 52 52 ALA H H 1 7.902 0.002 . 1 . . . . . 52 A H . 27791 3 56 . 2 2 52 52 ALA N N 15 118.849 0.02 . 1 . . . . . 52 A N . 27791 3 57 . 2 2 53 53 VAL H H 1 7.961 0.002 . 1 . . . . . 53 V H . 27791 3 58 . 2 2 53 53 VAL N N 15 120.073 0.02 . 1 . . . . . 53 V N . 27791 3 59 . 2 2 54 54 MET H H 1 8.475 0.002 . 1 . . . . . 54 M H . 27791 3 60 . 2 2 54 54 MET N N 15 118.922 0.02 . 1 . . . . . 54 M N . 27791 3 61 . 2 2 55 55 GLU H H 1 7.905 0.002 . 1 . . . . . 55 E H . 27791 3 62 . 2 2 55 55 GLU N N 15 118.618 0.02 . 1 . . . . . 55 E N . 27791 3 63 . 2 2 56 56 TYR H H 1 7.864 0.002 . 1 . . . . . 56 Y H . 27791 3 64 . 2 2 56 56 TYR N N 15 118.824 0.02 . 1 . . . . . 56 Y N . 27791 3 65 . 2 2 57 57 LEU H H 1 7.980 0.002 . 1 . . . . . 57 L H . 27791 3 66 . 2 2 57 57 LEU N N 15 117.628 0.02 . 1 . . . . . 57 L N . 27791 3 67 . 2 2 58 58 ALA H H 1 8.040 0.002 . 1 . . . . . 58 A H . 27791 3 68 . 2 2 58 58 ALA N N 15 118.781 0.02 . 1 . . . . . 58 A N . 27791 3 69 . 2 2 59 59 ALA H H 1 8.556 0.002 . 1 . . . . . 59 A H . 27791 3 70 . 2 2 59 59 ALA N N 15 119.998 0.02 . 1 . . . . . 59 A N . 27791 3 71 . 2 2 60 60 GLU H H 1 8.044 0.002 . 1 . . . . . 60 E H . 27791 3 72 . 2 2 60 60 GLU N N 15 119.552 0.02 . 1 . . . . . 60 E N . 27791 3 73 . 2 2 61 61 VAL H H 1 7.584 0.002 . 1 . . . . . 61 V H . 27791 3 74 . 2 2 61 61 VAL N N 15 116.732 0.02 . 1 . . . . . 61 V N . 27791 3 75 . 2 2 62 62 LEU H H 1 8.606 0.002 . 1 . . . . . 62 L H . 27791 3 76 . 2 2 62 62 LEU N N 15 117.979 0.02 . 1 . . . . . 62 L N . 27791 3 77 . 2 2 63 63 GLU H H 1 9.054 0.002 . 1 . . . . . 63 E H . 27791 3 78 . 2 2 63 63 GLU N N 15 121.939 0.02 . 1 . . . . . 63 E N . 27791 3 79 . 2 2 64 64 LEU H H 1 7.729 0.002 . 1 . . . . . 64 L H . 27791 3 80 . 2 2 64 64 LEU N N 15 119.793 0.02 . 1 . . . . . 64 L N . 27791 3 81 . 2 2 65 65 ALA H H 1 9.372 0.002 . 1 . . . . . 65 A H . 27791 3 82 . 2 2 65 65 ALA N N 15 124.839 0.02 . 1 . . . . . 65 A N . 27791 3 83 . 2 2 66 66 GLY H H 1 8.832 0.002 . 1 . . . . . 66 G H . 27791 3 84 . 2 2 66 66 GLY N N 15 106.379 0.02 . 1 . . . . . 66 G N . 27791 3 85 . 2 2 67 67 ASN H H 1 7.818 0.002 . 1 . . . . . 67 N H . 27791 3 86 . 2 2 67 67 ASN N N 15 123.284 0.02 . 1 . . . . . 67 N N . 27791 3 87 . 2 2 68 68 ALA H H 1 7.476 0.002 . 1 . . . . . 68 A H . 27791 3 88 . 2 2 68 68 ALA N N 15 123.377 0.02 . 1 . . . . . 68 A N . 27791 3 89 . 2 2 69 69 ALA H H 1 7.808 0.002 . 1 . . . . . 69 A H . 27791 3 90 . 2 2 69 69 ALA N N 15 122.607 0.02 . 1 . . . . . 69 A N . 27791 3 91 . 2 2 70 70 ARG H H 1 7.781 0.002 . 1 . . . . . 70 R H . 27791 3 92 . 2 2 70 70 ARG N N 15 119.700 0.02 . 1 . . . . . 70 R N . 27791 3 93 . 2 2 71 71 ASP H H 1 8.495 0.002 . 1 . . . . . 71 D H . 27791 3 94 . 2 2 71 71 ASP N N 15 122.812 0.02 . 1 . . . . . 71 D N . 27791 3 95 . 2 2 72 72 ASN H H 1 7.375 0.002 . 1 . . . . . 72 N H . 27791 3 96 . 2 2 72 72 ASN N N 15 117.135 0.02 . 1 . . . . . 72 N N . 27791 3 97 . 2 2 73 73 LYS H H 1 8.101 0.002 . 1 . . . . . 73 K H . 27791 3 98 . 2 2 73 73 LYS N N 15 115.618 0.02 . 1 . . . . . 73 K N . 27791 3 99 . 2 2 74 74 LYS H H 1 8.192 0.002 . 1 . . . . . 74 K H . 27791 3 100 . 2 2 74 74 LYS N N 15 117.132 0.02 . 1 . . . . . 74 K N . 27791 3 101 . 2 2 76 76 ARG H H 1 7.071 0.002 . 1 . . . . . 76 R H . 27791 3 102 . 2 2 76 76 ARG N N 15 119.332 0.02 . 1 . . . . . 76 R N . 27791 3 103 . 2 2 77 77 ILE H H 1 8.458 0.002 . 1 . . . . . 77 I H . 27791 3 104 . 2 2 77 77 ILE N N 15 124.883 0.02 . 1 . . . . . 77 I N . 27791 3 105 . 2 2 78 78 ILE H H 1 8.983 0.002 . 1 . . . . . 78 I H . 27791 3 106 . 2 2 78 78 ILE N N 15 124.952 0.02 . 1 . . . . . 78 I N . 27791 3 107 . 2 2 81 81 HIS H H 1 7.365 0.002 . 1 . . . . . 81 H H . 27791 3 108 . 2 2 81 81 HIS N N 15 117.994 0.02 . 1 . . . . . 81 H N . 27791 3 109 . 2 2 82 82 LEU H H 1 7.091 0.002 . 1 . . . . . 82 L H . 27791 3 110 . 2 2 82 82 LEU N N 15 116.970 0.02 . 1 . . . . . 82 L N . 27791 3 111 . 2 2 83 83 GLN H H 1 7.958 0.002 . 1 . . . . . 83 Q H . 27791 3 112 . 2 2 83 83 GLN N N 15 116.590 0.02 . 1 . . . . . 83 Q N . 27791 3 113 . 2 2 84 84 LEU H H 1 8.129 0.002 . 1 . . . . . 84 L H . 27791 3 114 . 2 2 84 84 LEU N N 15 119.541 0.02 . 1 . . . . . 84 L N . 27791 3 115 . 2 2 85 85 ALA H H 1 7.717 0.002 . 1 . . . . . 85 A H . 27791 3 116 . 2 2 85 85 ALA N N 15 119.866 0.02 . 1 . . . . . 85 A N . 27791 3 117 . 2 2 86 86 ILE H H 1 7.601 0.002 . 1 . . . . . 86 I H . 27791 3 118 . 2 2 86 86 ILE N N 15 113.579 0.02 . 1 . . . . . 86 I N . 27791 3 119 . 2 2 87 87 ARG H H 1 7.870 0.002 . 1 . . . . . 87 R H . 27791 3 120 . 2 2 87 87 ARG N N 15 115.572 0.02 . 1 . . . . . 87 R N . 27791 3 121 . 2 2 88 88 ASN H H 1 7.601 0.002 . 1 . . . . . 88 N H . 27791 3 122 . 2 2 88 88 ASN N N 15 113.579 0.02 . 1 . . . . . 88 N N . 27791 3 123 . 2 2 89 89 ASP H H 1 7.355 0.002 . 1 . . . . . 89 D H . 27791 3 124 . 2 2 89 89 ASP N N 15 122.630 0.02 . 1 . . . . . 89 D N . 27791 3 125 . 2 2 90 90 GLU H H 1 8.853 0.002 . 1 . . . . . 90 E H . 27791 3 126 . 2 2 90 90 GLU N N 15 126.159 0.02 . 1 . . . . . 90 E N . 27791 3 127 . 2 2 91 91 GLU H H 1 8.080 0.002 . 1 . . . . . 91 E H . 27791 3 128 . 2 2 91 91 GLU N N 15 117.811 0.02 . 1 . . . . . 91 E N . 27791 3 129 . 2 2 92 92 LEU H H 1 9.145 0.002 . 1 . . . . . 92 L H . 27791 3 130 . 2 2 92 92 LEU N N 15 121.325 0.02 . 1 . . . . . 92 L N . 27791 3 131 . 2 2 93 93 ASN H H 1 8.853 0.002 . 1 . . . . . 93 N H . 27791 3 132 . 2 2 93 93 ASN N N 15 118.067 0.02 . 1 . . . . . 93 N N . 27791 3 133 . 2 2 94 94 LYS H H 1 7.499 0.002 . 1 . . . . . 94 K H . 27791 3 134 . 2 2 94 94 LYS N N 15 118.573 0.02 . 1 . . . . . 94 K N . 27791 3 135 . 2 2 95 95 LEU H H 1 8.035 0.002 . 1 . . . . . 95 L H . 27791 3 136 . 2 2 95 95 LEU N N 15 120.241 0.02 . 1 . . . . . 95 L N . 27791 3 137 . 2 2 97 97 SER H H 1 7.892 0.002 . 1 . . . . . 97 S H . 27791 3 138 . 2 2 97 97 SER N N 15 115.719 0.02 . 1 . . . . . 97 S N . 27791 3 139 . 2 2 99 99 VAL H H 1 7.756 0.002 . 1 . . . . . 99 V H . 27791 3 140 . 2 2 99 99 VAL N N 15 119.584 0.02 . 1 . . . . . 99 V N . 27791 3 141 . 2 2 100 100 THR H H 1 8.180 0.002 . 1 . . . . . 100 T H . 27791 3 142 . 2 2 100 100 THR N N 15 118.558 0.02 . 1 . . . . . 100 T N . 27791 3 143 . 2 2 102 102 ALA H H 1 8.198 0.002 . 1 . . . . . 102 A H . 27791 3 144 . 2 2 102 102 ALA N N 15 126.320 0.02 . 1 . . . . . 102 A N . 27791 3 145 . 2 2 106 106 VAL H H 1 7.910 0.002 . 1 . . . . . 106 V H . 27791 3 146 . 2 2 106 106 VAL N N 15 118.983 0.02 . 1 . . . . . 106 V N . 27791 3 147 . 2 2 107 107 LEU H H 1 8.334 0.002 . 1 . . . . . 107 L H . 27791 3 148 . 2 2 107 107 LEU N N 15 127.322 0.02 . 1 . . . . . 107 L N . 27791 3 149 . 2 2 110 110 ILE H H 1 7.961 0.002 . 1 . . . . . 110 I H . 27791 3 150 . 2 2 110 110 ILE N N 15 120.818 0.02 . 1 . . . . . 110 I N . 27791 3 151 . 2 2 112 112 ALA H H 1 8.132 0.002 . 1 . . . . . 112 A H . 27791 3 152 . 2 2 112 112 ALA N N 15 125.214 0.02 . 1 . . . . . 112 A N . 27791 3 153 . 2 2 113 113 VAL H H 1 7.946 0.002 . 1 . . . . . 113 V H . 27791 3 154 . 2 2 113 113 VAL N N 15 119.249 0.02 . 1 . . . . . 113 V N . 27791 3 155 . 2 2 114 114 LEU H H 1 8.150 0.002 . 1 . . . . . 114 L H . 27791 3 156 . 2 2 114 114 LEU N N 15 125.134 0.02 . 1 . . . . . 114 L N . 27791 3 157 . 2 2 115 115 LEU H H 1 8.088 0.002 . 1 . . . . . 115 L H . 27791 3 158 . 2 2 115 115 LEU N N 15 125.206 0.02 . 1 . . . . . 115 L N . 27791 3 159 . 2 2 123 123 ALA H H 1 7.996 0.002 . 1 . . . . . 123 A H . 27791 3 160 . 2 2 123 123 ALA N N 15 131.850 0.02 . 1 . . . . . 123 A N . 27791 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_chem_shift_list_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_4 _Assigned_chem_shift_list.Entry_ID 27791 _Assigned_chem_shift_list.ID 4 _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 $chemical_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 TROSY' . . . 27791 4 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 9 9 VAL H H 1 8.143 0.002 . 1 . . . . . 9 V H . 27791 4 2 . 2 2 9 9 VAL N N 15 122.147 0.02 . 1 . . . . . 9 V N . 27791 4 3 . 2 2 22 22 LEU H H 1 8.051 0.002 . 1 . . . . . 22 L H . 27791 4 4 . 2 2 22 22 LEU N N 15 121.988 0.02 . 1 . . . . . 22 L N . 27791 4 5 . 2 2 23 23 GLN H H 1 10.936 0.002 . 1 . . . . . 23 Q H . 27791 4 6 . 2 2 23 23 GLN N N 15 124.035 0.02 . 1 . . . . . 23 Q N . 27791 4 7 . 2 2 24 24 PHE H H 1 8.710 0.002 . 1 . . . . . 24 F H . 27791 4 8 . 2 2 24 24 PHE N N 15 121.578 0.02 . 1 . . . . . 24 F N . 27791 4 9 . 2 2 26 26 VAL H H 1 8.025 0.002 . 1 . . . . . 26 V H . 27791 4 10 . 2 2 26 26 VAL N N 15 128.501 0.02 . 1 . . . . . 26 V N . 27791 4 11 . 2 2 28 28 ARG H H 1 7.352 0.002 . 1 . . . . . 28 R H . 27791 4 12 . 2 2 28 28 ARG N N 15 122.616 0.02 . 1 . . . . . 28 R N . 27791 4 13 . 2 2 29 29 ILE H H 1 7.960 0.002 . 1 . . . . . 29 I H . 27791 4 14 . 2 2 29 29 ILE N N 15 120.806 0.02 . 1 . . . . . 29 I N . 27791 4 15 . 2 2 30 30 HIS H H 1 8.931 0.002 . 1 . . . . . 30 H H . 27791 4 16 . 2 2 30 30 HIS N N 15 121.477 0.02 . 1 . . . . . 30 H N . 27791 4 17 . 2 2 31 31 ARG H H 1 7.887 0.002 . 1 . . . . . 31 R H . 27791 4 18 . 2 2 31 31 ARG N N 15 118.748 0.02 . 1 . . . . . 31 R N . 27791 4 19 . 2 2 32 32 LEU H H 1 8.478 0.002 . 1 . . . . . 32 L H . 27791 4 20 . 2 2 32 32 LEU N N 15 120.081 0.02 . 1 . . . . . 32 L N . 27791 4 21 . 2 2 33 33 LEU H H 1 8.542 0.002 . 1 . . . . . 33 L H . 27791 4 22 . 2 2 33 33 LEU N N 15 120.039 0.02 . 1 . . . . . 33 L N . 27791 4 23 . 2 2 34 34 ARG H H 1 8.178 0.002 . 1 . . . . . 34 R H . 27791 4 24 . 2 2 34 34 ARG N N 15 118.546 0.02 . 1 . . . . . 34 R N . 27791 4 25 . 2 2 35 35 LYS H H 1 8.655 0.002 . 1 . . . . . 35 K H . 27791 4 26 . 2 2 35 35 LYS N N 15 119.211 0.02 . 1 . . . . . 35 K N . 27791 4 27 . 2 2 36 36 GLY H H 1 7.547 0.002 . 1 . . . . . 36 G H . 27791 4 28 . 2 2 36 36 GLY N N 15 104.739 0.02 . 1 . . . . . 36 G N . 27791 4 29 . 2 2 37 37 ASN H H 1 7.925 0.002 . 1 . . . . . 37 N H . 27791 4 30 . 2 2 37 37 ASN N N 15 115.700 0.02 . 1 . . . . . 37 N N . 27791 4 31 . 2 2 38 38 TYR H H 1 8.137 0.002 . 1 . . . . . 38 Y H . 27791 4 32 . 2 2 38 38 TYR N N 15 117.727 0.02 . 1 . . . . . 38 Y N . 27791 4 33 . 2 2 39 39 ALA H H 1 8.130 0.002 . 1 . . . . . 39 A H . 27791 4 34 . 2 2 39 39 ALA N N 15 119.389 0.02 . 1 . . . . . 39 A N . 27791 4 35 . 2 2 40 40 GLU H H 1 8.529 0.002 . 1 . . . . . 40 E H . 27791 4 36 . 2 2 40 40 GLU N N 15 120.823 0.02 . 1 . . . . . 40 E N . 27791 4 37 . 2 2 41 41 ARG H H 1 8.003 0.002 . 1 . . . . . 41 R H . 27791 4 38 . 2 2 41 41 ARG N N 15 115.632 0.02 . 1 . . . . . 41 R N . 27791 4 39 . 2 2 42 42 VAL H H 1 8.596 0.002 . 1 . . . . . 42 V H . 27791 4 40 . 2 2 42 42 VAL N N 15 122.071 0.02 . 1 . . . . . 42 V N . 27791 4 41 . 2 2 43 43 GLY H H 1 9.221 0.002 . 1 . . . . . 43 G H . 27791 4 42 . 2 2 43 43 GLY N N 15 116.816 0.02 . 1 . . . . . 43 G N . 27791 4 43 . 2 2 44 44 ALA H H 1 8.481 0.002 . 1 . . . . . 44 A H . 27791 4 44 . 2 2 44 44 ALA N N 15 122.407 0.02 . 1 . . . . . 44 A N . 27791 4 45 . 2 2 46 46 ALA H H 1 7.430 0.002 . 1 . . . . . 46 A H . 27791 4 46 . 2 2 46 46 ALA N N 15 124.549 0.02 . 1 . . . . . 46 A N . 27791 4 47 . 2 2 48 48 VAL H H 1 6.220 0.002 . 1 . . . . . 48 V H . 27791 4 48 . 2 2 48 48 VAL N N 15 118.821 0.02 . 1 . . . . . 48 V N . 27791 4 49 . 2 2 49 49 TYR H H 1 7.885 0.002 . 1 . . . . . 49 Y H . 27791 4 50 . 2 2 49 49 TYR N N 15 120.545 0.02 . 1 . . . . . 49 Y N . 27791 4 51 . 2 2 50 50 LEU H H 1 8.270 0.002 . 1 . . . . . 50 L H . 27791 4 52 . 2 2 50 50 LEU N N 15 116.398 0.02 . 1 . . . . . 50 L N . 27791 4 53 . 2 2 51 51 ALA H H 1 8.459 0.002 . 1 . . . . . 51 A H . 27791 4 54 . 2 2 51 51 ALA N N 15 121.145 0.02 . 1 . . . . . 51 A N . 27791 4 55 . 2 2 52 52 ALA H H 1 7.902 0.002 . 1 . . . . . 52 A H . 27791 4 56 . 2 2 52 52 ALA N N 15 118.849 0.02 . 1 . . . . . 52 A N . 27791 4 57 . 2 2 53 53 VAL H H 1 7.959 0.002 . 1 . . . . . 53 V H . 27791 4 58 . 2 2 53 53 VAL N N 15 120.081 0.02 . 1 . . . . . 53 V N . 27791 4 59 . 2 2 54 54 MET H H 1 8.471 0.002 . 1 . . . . . 54 M H . 27791 4 60 . 2 2 54 54 MET N N 15 118.942 0.02 . 1 . . . . . 54 M N . 27791 4 61 . 2 2 55 55 GLU H H 1 7.904 0.002 . 1 . . . . . 55 E H . 27791 4 62 . 2 2 55 55 GLU N N 15 118.638 0.02 . 1 . . . . . 55 E N . 27791 4 63 . 2 2 56 56 TYR H H 1 7.864 0.002 . 1 . . . . . 56 Y H . 27791 4 64 . 2 2 56 56 TYR N N 15 118.837 0.02 . 1 . . . . . 56 Y N . 27791 4 65 . 2 2 57 57 LEU H H 1 7.980 0.002 . 1 . . . . . 57 L H . 27791 4 66 . 2 2 57 57 LEU N N 15 117.640 0.02 . 1 . . . . . 57 L N . 27791 4 67 . 2 2 58 58 ALA H H 1 8.037 0.002 . 1 . . . . . 58 A H . 27791 4 68 . 2 2 58 58 ALA N N 15 118.812 0.02 . 1 . . . . . 58 A N . 27791 4 69 . 2 2 59 59 ALA H H 1 8.556 0.002 . 1 . . . . . 59 A H . 27791 4 70 . 2 2 59 59 ALA N N 15 119.998 0.02 . 1 . . . . . 59 A N . 27791 4 71 . 2 2 60 60 GLU H H 1 8.047 0.002 . 1 . . . . . 60 E H . 27791 4 72 . 2 2 60 60 GLU N N 15 119.545 0.02 . 1 . . . . . 60 E N . 27791 4 73 . 2 2 61 61 VAL H H 1 7.582 0.002 . 1 . . . . . 61 V H . 27791 4 74 . 2 2 61 61 VAL N N 15 116.693 0.02 . 1 . . . . . 61 V N . 27791 4 75 . 2 2 62 62 LEU H H 1 8.604 0.002 . 1 . . . . . 62 L H . 27791 4 76 . 2 2 62 62 LEU N N 15 118.000 0.02 . 1 . . . . . 62 L N . 27791 4 77 . 2 2 63 63 GLU H H 1 9.063 0.002 . 1 . . . . . 63 E H . 27791 4 78 . 2 2 63 63 GLU N N 15 121.924 0.02 . 1 . . . . . 63 E N . 27791 4 79 . 2 2 64 64 LEU H H 1 7.726 0.002 . 1 . . . . . 64 L H . 27791 4 80 . 2 2 64 64 LEU N N 15 119.748 0.02 . 1 . . . . . 64 L N . 27791 4 81 . 2 2 65 65 ALA H H 1 9.372 0.002 . 1 . . . . . 65 A H . 27791 4 82 . 2 2 65 65 ALA N N 15 124.819 0.02 . 1 . . . . . 65 A N . 27791 4 83 . 2 2 66 66 GLY H H 1 8.832 0.002 . 1 . . . . . 66 G H . 27791 4 84 . 2 2 66 66 GLY N N 15 106.370 0.02 . 1 . . . . . 66 G N . 27791 4 85 . 2 2 67 67 ASN H H 1 7.811 0.002 . 1 . . . . . 67 N H . 27791 4 86 . 2 2 67 67 ASN N N 15 123.255 0.02 . 1 . . . . . 67 N N . 27791 4 87 . 2 2 68 68 ALA H H 1 7.476 0.002 . 1 . . . . . 68 A H . 27791 4 88 . 2 2 68 68 ALA N N 15 123.380 0.02 . 1 . . . . . 68 A N . 27791 4 89 . 2 2 69 69 ALA H H 1 7.807 0.002 . 1 . . . . . 69 A H . 27791 4 90 . 2 2 69 69 ALA N N 15 122.563 0.02 . 1 . . . . . 69 A N . 27791 4 91 . 2 2 70 70 ARG H H 1 7.781 0.002 . 1 . . . . . 70 R H . 27791 4 92 . 2 2 70 70 ARG N N 15 119.700 0.02 . 1 . . . . . 70 R N . 27791 4 93 . 2 2 71 71 ASP H H 1 8.492 0.002 . 1 . . . . . 71 D H . 27791 4 94 . 2 2 71 71 ASP N N 15 122.797 0.02 . 1 . . . . . 71 D N . 27791 4 95 . 2 2 72 72 ASN H H 1 7.373 0.002 . 1 . . . . . 72 N H . 27791 4 96 . 2 2 72 72 ASN N N 15 117.132 0.02 . 1 . . . . . 72 N N . 27791 4 97 . 2 2 73 73 LYS H H 1 8.101 0.002 . 1 . . . . . 73 K H . 27791 4 98 . 2 2 73 73 LYS N N 15 115.633 0.02 . 1 . . . . . 73 K N . 27791 4 99 . 2 2 74 74 LYS H H 1 8.192 0.002 . 1 . . . . . 74 K H . 27791 4 100 . 2 2 74 74 LYS N N 15 117.141 0.02 . 1 . . . . . 74 K N . 27791 4 101 . 2 2 76 76 ARG H H 1 7.070 0.002 . 1 . . . . . 76 R H . 27791 4 102 . 2 2 76 76 ARG N N 15 119.317 0.02 . 1 . . . . . 76 R N . 27791 4 103 . 2 2 77 77 ILE H H 1 8.455 0.002 . 1 . . . . . 77 I H . 27791 4 104 . 2 2 77 77 ILE N N 15 124.872 0.02 . 1 . . . . . 77 I N . 27791 4 105 . 2 2 78 78 ILE H H 1 8.982 0.002 . 1 . . . . . 78 I H . 27791 4 106 . 2 2 78 78 ILE N N 15 124.943 0.02 . 1 . . . . . 78 I N . 27791 4 107 . 2 2 81 81 HIS H H 1 7.363 0.002 . 1 . . . . . 81 H H . 27791 4 108 . 2 2 81 81 HIS N N 15 117.950 0.02 . 1 . . . . . 81 H N . 27791 4 109 . 2 2 82 82 LEU H H 1 7.092 0.002 . 1 . . . . . 82 L H . 27791 4 110 . 2 2 82 82 LEU N N 15 116.946 0.02 . 1 . . . . . 82 L N . 27791 4 111 . 2 2 83 83 GLN H H 1 7.960 0.002 . 1 . . . . . 83 Q H . 27791 4 112 . 2 2 83 83 GLN N N 15 116.564 0.02 . 1 . . . . . 83 Q N . 27791 4 113 . 2 2 84 84 LEU H H 1 8.126 0.002 . 1 . . . . . 84 L H . 27791 4 114 . 2 2 84 84 LEU N N 15 119.563 0.02 . 1 . . . . . 84 L N . 27791 4 115 . 2 2 85 85 ALA H H 1 7.717 0.002 . 1 . . . . . 85 A H . 27791 4 116 . 2 2 85 85 ALA N N 15 119.866 0.02 . 1 . . . . . 85 A N . 27791 4 117 . 2 2 86 86 ILE H H 1 7.599 0.002 . 1 . . . . . 86 I H . 27791 4 118 . 2 2 86 86 ILE N N 15 113.556 0.02 . 1 . . . . . 86 I N . 27791 4 119 . 2 2 87 87 ARG H H 1 7.870 0.002 . 1 . . . . . 87 R H . 27791 4 120 . 2 2 87 87 ARG N N 15 115.517 0.02 . 1 . . . . . 87 R N . 27791 4 121 . 2 2 88 88 ASN H H 1 7.599 0.002 . 1 . . . . . 88 N H . 27791 4 122 . 2 2 88 88 ASN N N 15 113.556 0.02 . 1 . . . . . 88 N N . 27791 4 123 . 2 2 89 89 ASP H H 1 7.352 0.002 . 1 . . . . . 89 D H . 27791 4 124 . 2 2 89 89 ASP N N 15 122.616 0.02 . 1 . . . . . 89 D N . 27791 4 125 . 2 2 90 90 GLU H H 1 8.855 0.002 . 1 . . . . . 90 E H . 27791 4 126 . 2 2 90 90 GLU N N 15 126.155 0.02 . 1 . . . . . 90 E N . 27791 4 127 . 2 2 91 91 GLU H H 1 8.074 0.002 . 1 . . . . . 91 E H . 27791 4 128 . 2 2 91 91 GLU N N 15 117.797 0.02 . 1 . . . . . 91 E N . 27791 4 129 . 2 2 92 92 LEU H H 1 9.143 0.002 . 1 . . . . . 92 L H . 27791 4 130 . 2 2 92 92 LEU N N 15 121.258 0.02 . 1 . . . . . 92 L N . 27791 4 131 . 2 2 93 93 ASN H H 1 8.851 0.002 . 1 . . . . . 93 N H . 27791 4 132 . 2 2 93 93 ASN N N 15 118.077 0.02 . 1 . . . . . 93 N N . 27791 4 133 . 2 2 94 94 LYS H H 1 7.498 0.002 . 1 . . . . . 94 K H . 27791 4 134 . 2 2 94 94 LYS N N 15 118.606 0.02 . 1 . . . . . 94 K N . 27791 4 135 . 2 2 95 95 LEU H H 1 8.034 0.002 . 1 . . . . . 95 L H . 27791 4 136 . 2 2 95 95 LEU N N 15 120.237 0.02 . 1 . . . . . 95 L N . 27791 4 137 . 2 2 97 97 SER H H 1 7.893 0.002 . 1 . . . . . 97 S H . 27791 4 138 . 2 2 97 97 SER N N 15 115.662 0.02 . 1 . . . . . 97 S N . 27791 4 139 . 2 2 99 99 VAL H H 1 7.753 0.002 . 1 . . . . . 99 V H . 27791 4 140 . 2 2 99 99 VAL N N 15 119.580 0.02 . 1 . . . . . 99 V N . 27791 4 141 . 2 2 100 100 THR H H 1 8.178 0.002 . 1 . . . . . 100 T H . 27791 4 142 . 2 2 100 100 THR N N 15 118.546 0.02 . 1 . . . . . 100 T N . 27791 4 143 . 2 2 102 102 ALA H H 1 8.200 0.002 . 1 . . . . . 102 A H . 27791 4 144 . 2 2 102 102 ALA N N 15 126.291 0.02 . 1 . . . . . 102 A N . 27791 4 145 . 2 2 106 106 VAL H H 1 7.910 0.002 . 1 . . . . . 106 V H . 27791 4 146 . 2 2 106 106 VAL N N 15 118.994 0.02 . 1 . . . . . 106 V N . 27791 4 147 . 2 2 107 107 LEU H H 1 8.333 0.002 . 1 . . . . . 107 L H . 27791 4 148 . 2 2 107 107 LEU N N 15 127.327 0.02 . 1 . . . . . 107 L N . 27791 4 149 . 2 2 110 110 ILE H H 1 7.960 0.002 . 1 . . . . . 110 I H . 27791 4 150 . 2 2 110 110 ILE N N 15 120.806 0.02 . 1 . . . . . 110 I N . 27791 4 151 . 2 2 112 112 ALA H H 1 8.132 0.002 . 1 . . . . . 112 A H . 27791 4 152 . 2 2 112 112 ALA N N 15 125.214 0.02 . 1 . . . . . 112 A N . 27791 4 153 . 2 2 113 113 VAL H H 1 7.945 0.002 . 1 . . . . . 113 V H . 27791 4 154 . 2 2 113 113 VAL N N 15 119.293 0.02 . 1 . . . . . 113 V N . 27791 4 155 . 2 2 114 114 LEU H H 1 8.148 0.002 . 1 . . . . . 114 L H . 27791 4 156 . 2 2 114 114 LEU N N 15 125.129 0.02 . 1 . . . . . 114 L N . 27791 4 157 . 2 2 115 115 LEU H H 1 8.086 0.002 . 1 . . . . . 115 L H . 27791 4 158 . 2 2 115 115 LEU N N 15 125.199 0.02 . 1 . . . . . 115 L N . 27791 4 159 . 2 2 123 123 ALA H H 1 7.995 0.002 . 1 . . . . . 123 A H . 27791 4 160 . 2 2 123 123 ALA N N 15 131.849 0.02 . 1 . . . . . 123 A N . 27791 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_chem_shift_list_5 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_5 _Assigned_chem_shift_list.Entry_ID 27791 _Assigned_chem_shift_list.ID 5 _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 $chemical_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 TROSY' . . . 27791 5 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 9 9 VAL H H 1 8.143 0.002 . 1 . . . . . 9 V H . 27791 5 2 . 2 2 9 9 VAL N N 15 122.147 0.02 . 1 . . . . . 9 V N . 27791 5 3 . 2 2 22 22 LEU H H 1 8.049 0.002 . 1 . . . . . 22 L H . 27791 5 4 . 2 2 22 22 LEU N N 15 121.868 0.02 . 1 . . . . . 22 L N . 27791 5 5 . 2 2 23 23 GLN H H 1 10.936 0.002 . 1 . . . . . 23 Q H . 27791 5 6 . 2 2 23 23 GLN N N 15 124.035 0.02 . 1 . . . . . 23 Q N . 27791 5 7 . 2 2 24 24 PHE H H 1 8.707 0.002 . 1 . . . . . 24 F H . 27791 5 8 . 2 2 24 24 PHE N N 15 121.604 0.02 . 1 . . . . . 24 F N . 27791 5 9 . 2 2 26 26 VAL H H 1 8.024 0.002 . 1 . . . . . 26 V H . 27791 5 10 . 2 2 26 26 VAL N N 15 128.480 0.02 . 1 . . . . . 26 V N . 27791 5 11 . 2 2 28 28 ARG H H 1 7.346 0.002 . 1 . . . . . 28 R H . 27791 5 12 . 2 2 28 28 ARG N N 15 122.600 0.02 . 1 . . . . . 28 R N . 27791 5 13 . 2 2 29 29 ILE H H 1 7.964 0.002 . 1 . . . . . 29 I H . 27791 5 14 . 2 2 29 29 ILE N N 15 120.791 0.02 . 1 . . . . . 29 I N . 27791 5 15 . 2 2 30 30 HIS H H 1 8.913 0.002 . 1 . . . . . 30 H H . 27791 5 16 . 2 2 30 30 HIS N N 15 121.494 0.02 . 1 . . . . . 30 H N . 27791 5 17 . 2 2 31 31 ARG H H 1 7.887 0.002 . 1 . . . . . 31 R H . 27791 5 18 . 2 2 31 31 ARG N N 15 118.748 0.02 . 1 . . . . . 31 R N . 27791 5 19 . 2 2 32 32 LEU H H 1 8.479 0.002 . 1 . . . . . 32 L H . 27791 5 20 . 2 2 32 32 LEU N N 15 120.089 0.02 . 1 . . . . . 32 L N . 27791 5 21 . 2 2 33 33 LEU H H 1 8.539 0.002 . 1 . . . . . 33 L H . 27791 5 22 . 2 2 33 33 LEU N N 15 120.057 0.02 . 1 . . . . . 33 L N . 27791 5 23 . 2 2 34 34 ARG H H 1 8.176 0.002 . 1 . . . . . 34 R H . 27791 5 24 . 2 2 34 34 ARG N N 15 118.567 0.02 . 1 . . . . . 34 R N . 27791 5 25 . 2 2 35 35 LYS H H 1 8.664 0.002 . 1 . . . . . 35 K H . 27791 5 26 . 2 2 35 35 LYS N N 15 119.233 0.02 . 1 . . . . . 35 K N . 27791 5 27 . 2 2 36 36 GLY H H 1 7.548 0.002 . 1 . . . . . 36 G H . 27791 5 28 . 2 2 36 36 GLY N N 15 104.710 0.02 . 1 . . . . . 36 G N . 27791 5 29 . 2 2 37 37 ASN H H 1 7.925 0.002 . 1 . . . . . 37 N H . 27791 5 30 . 2 2 37 37 ASN N N 15 115.700 0.02 . 1 . . . . . 37 N N . 27791 5 31 . 2 2 38 38 TYR H H 1 8.127 0.002 . 1 . . . . . 38 Y H . 27791 5 32 . 2 2 38 38 TYR N N 15 117.730 0.02 . 1 . . . . . 38 Y N . 27791 5 33 . 2 2 39 39 ALA H H 1 8.129 0.002 . 1 . . . . . 39 A H . 27791 5 34 . 2 2 39 39 ALA N N 15 119.351 0.02 . 1 . . . . . 39 A N . 27791 5 35 . 2 2 40 40 GLU H H 1 8.533 0.002 . 1 . . . . . 40 E H . 27791 5 36 . 2 2 40 40 GLU N N 15 120.864 0.02 . 1 . . . . . 40 E N . 27791 5 37 . 2 2 41 41 ARG H H 1 8.003 0.002 . 1 . . . . . 41 R H . 27791 5 38 . 2 2 41 41 ARG N N 15 115.632 0.02 . 1 . . . . . 41 R N . 27791 5 39 . 2 2 42 42 VAL H H 1 8.596 0.002 . 1 . . . . . 42 V H . 27791 5 40 . 2 2 42 42 VAL N N 15 122.071 0.02 . 1 . . . . . 42 V N . 27791 5 41 . 2 2 43 43 GLY H H 1 9.220 0.002 . 1 . . . . . 43 G H . 27791 5 42 . 2 2 43 43 GLY N N 15 116.826 0.02 . 1 . . . . . 43 G N . 27791 5 43 . 2 2 44 44 ALA H H 1 8.481 0.002 . 1 . . . . . 44 A H . 27791 5 44 . 2 2 44 44 ALA N N 15 122.407 0.02 . 1 . . . . . 44 A N . 27791 5 45 . 2 2 46 46 ALA H H 1 7.430 0.002 . 1 . . . . . 46 A H . 27791 5 46 . 2 2 46 46 ALA N N 15 124.552 0.02 . 1 . . . . . 46 A N . 27791 5 47 . 2 2 48 48 VAL H H 1 6.219 0.002 . 1 . . . . . 48 V H . 27791 5 48 . 2 2 48 48 VAL N N 15 118.802 0.02 . 1 . . . . . 48 V N . 27791 5 49 . 2 2 49 49 TYR H H 1 7.881 0.002 . 1 . . . . . 49 Y H . 27791 5 50 . 2 2 49 49 TYR N N 15 120.545 0.02 . 1 . . . . . 49 Y N . 27791 5 51 . 2 2 50 50 LEU H H 1 8.268 0.002 . 1 . . . . . 50 L H . 27791 5 52 . 2 2 50 50 LEU N N 15 116.399 0.02 . 1 . . . . . 50 L N . 27791 5 53 . 2 2 51 51 ALA H H 1 8.458 0.002 . 1 . . . . . 51 A H . 27791 5 54 . 2 2 51 51 ALA N N 15 121.120 0.02 . 1 . . . . . 51 A N . 27791 5 55 . 2 2 52 52 ALA H H 1 7.902 0.002 . 1 . . . . . 52 A H . 27791 5 56 . 2 2 52 52 ALA N N 15 118.849 0.02 . 1 . . . . . 52 A N . 27791 5 57 . 2 2 53 53 VAL H H 1 7.959 0.002 . 1 . . . . . 53 V H . 27791 5 58 . 2 2 53 53 VAL N N 15 120.113 0.02 . 1 . . . . . 53 V N . 27791 5 59 . 2 2 54 54 MET H H 1 8.463 0.002 . 1 . . . . . 54 M H . 27791 5 60 . 2 2 54 54 MET N N 15 118.969 0.02 . 1 . . . . . 54 M N . 27791 5 61 . 2 2 55 55 GLU H H 1 7.898 0.002 . 1 . . . . . 55 E H . 27791 5 62 . 2 2 55 55 GLU N N 15 118.665 0.02 . 1 . . . . . 55 E N . 27791 5 63 . 2 2 56 56 TYR H H 1 7.858 0.002 . 1 . . . . . 56 Y H . 27791 5 64 . 2 2 56 56 TYR N N 15 118.858 0.02 . 1 . . . . . 56 Y N . 27791 5 65 . 2 2 57 57 LEU H H 1 7.977 0.002 . 1 . . . . . 57 L H . 27791 5 66 . 2 2 57 57 LEU N N 15 117.601 0.02 . 1 . . . . . 57 L N . 27791 5 67 . 2 2 58 58 ALA H H 1 8.042 0.002 . 1 . . . . . 58 A H . 27791 5 68 . 2 2 58 58 ALA N N 15 118.851 0.02 . 1 . . . . . 58 A N . 27791 5 69 . 2 2 59 59 ALA H H 1 8.556 0.002 . 1 . . . . . 59 A H . 27791 5 70 . 2 2 59 59 ALA N N 15 119.998 0.02 . 1 . . . . . 59 A N . 27791 5 71 . 2 2 60 60 GLU H H 1 8.051 0.002 . 1 . . . . . 60 E H . 27791 5 72 . 2 2 60 60 GLU N N 15 119.486 0.02 . 1 . . . . . 60 E N . 27791 5 73 . 2 2 61 61 VAL H H 1 7.578 0.002 . 1 . . . . . 61 V H . 27791 5 74 . 2 2 61 61 VAL N N 15 116.677 0.02 . 1 . . . . . 61 V N . 27791 5 75 . 2 2 62 62 LEU H H 1 8.599 0.002 . 1 . . . . . 62 L H . 27791 5 76 . 2 2 62 62 LEU N N 15 118.007 0.02 . 1 . . . . . 62 L N . 27791 5 77 . 2 2 63 63 GLU H H 1 9.063 0.002 . 1 . . . . . 63 E H . 27791 5 78 . 2 2 63 63 GLU N N 15 121.924 0.02 . 1 . . . . . 63 E N . 27791 5 79 . 2 2 64 64 LEU H H 1 7.726 0.002 . 1 . . . . . 64 L H . 27791 5 80 . 2 2 64 64 LEU N N 15 119.719 0.02 . 1 . . . . . 64 L N . 27791 5 81 . 2 2 65 65 ALA H H 1 9.376 0.002 . 1 . . . . . 65 A H . 27791 5 82 . 2 2 65 65 ALA N N 15 124.841 0.02 . 1 . . . . . 65 A N . 27791 5 83 . 2 2 66 66 GLY H H 1 8.833 0.002 . 1 . . . . . 66 G H . 27791 5 84 . 2 2 66 66 GLY N N 15 106.351 0.02 . 1 . . . . . 66 G N . 27791 5 85 . 2 2 67 67 ASN H H 1 7.809 0.002 . 1 . . . . . 67 N H . 27791 5 86 . 2 2 67 67 ASN N N 15 123.311 0.02 . 1 . . . . . 67 N N . 27791 5 87 . 2 2 68 68 ALA H H 1 7.481 0.002 . 1 . . . . . 68 A H . 27791 5 88 . 2 2 68 68 ALA N N 15 123.395 0.02 . 1 . . . . . 68 A N . 27791 5 89 . 2 2 69 69 ALA H H 1 7.808 0.002 . 1 . . . . . 69 A H . 27791 5 90 . 2 2 69 69 ALA N N 15 122.556 0.02 . 1 . . . . . 69 A N . 27791 5 91 . 2 2 70 70 ARG H H 1 7.781 0.002 . 1 . . . . . 70 R H . 27791 5 92 . 2 2 70 70 ARG N N 15 119.700 0.02 . 1 . . . . . 70 R N . 27791 5 93 . 2 2 71 71 ASP H H 1 8.492 0.002 . 1 . . . . . 71 D H . 27791 5 94 . 2 2 71 71 ASP N N 15 122.783 0.02 . 1 . . . . . 71 D N . 27791 5 95 . 2 2 72 72 ASN H H 1 7.375 0.002 . 1 . . . . . 72 N H . 27791 5 96 . 2 2 72 72 ASN N N 15 117.127 0.02 . 1 . . . . . 72 N N . 27791 5 97 . 2 2 73 73 LYS H H 1 8.103 0.002 . 1 . . . . . 73 K H . 27791 5 98 . 2 2 73 73 LYS N N 15 115.613 0.02 . 1 . . . . . 73 K N . 27791 5 99 . 2 2 74 74 LYS H H 1 8.194 0.002 . 1 . . . . . 74 K H . 27791 5 100 . 2 2 74 74 LYS N N 15 117.139 0.02 . 1 . . . . . 74 K N . 27791 5 101 . 2 2 76 76 ARG H H 1 7.074 0.002 . 1 . . . . . 76 R H . 27791 5 102 . 2 2 76 76 ARG N N 15 119.282 0.02 . 1 . . . . . 76 R N . 27791 5 103 . 2 2 77 77 ILE H H 1 8.449 0.002 . 1 . . . . . 77 I H . 27791 5 104 . 2 2 77 77 ILE N N 15 124.816 0.02 . 1 . . . . . 77 I N . 27791 5 105 . 2 2 78 78 ILE H H 1 8.985 0.002 . 1 . . . . . 78 I H . 27791 5 106 . 2 2 78 78 ILE N N 15 124.931 0.02 . 1 . . . . . 78 I N . 27791 5 107 . 2 2 81 81 HIS H H 1 7.354 0.002 . 1 . . . . . 81 H H . 27791 5 108 . 2 2 81 81 HIS N N 15 117.947 0.02 . 1 . . . . . 81 H N . 27791 5 109 . 2 2 82 82 LEU H H 1 7.098 0.002 . 1 . . . . . 82 L H . 27791 5 110 . 2 2 82 82 LEU N N 15 116.950 0.02 . 1 . . . . . 82 L N . 27791 5 111 . 2 2 83 83 GLN H H 1 7.962 0.002 . 1 . . . . . 83 Q H . 27791 5 112 . 2 2 83 83 GLN N N 15 116.560 0.02 . 1 . . . . . 83 Q N . 27791 5 113 . 2 2 84 84 LEU H H 1 8.123 0.002 . 1 . . . . . 84 L H . 27791 5 114 . 2 2 84 84 LEU N N 15 119.472 0.02 . 1 . . . . . 84 L N . 27791 5 115 . 2 2 85 85 ALA H H 1 7.715 0.002 . 1 . . . . . 85 A H . 27791 5 116 . 2 2 85 85 ALA N N 15 119.836 0.02 . 1 . . . . . 85 A N . 27791 5 117 . 2 2 86 86 ILE H H 1 7.607 0.002 . 1 . . . . . 86 I H . 27791 5 118 . 2 2 86 86 ILE N N 15 113.603 0.02 . 1 . . . . . 86 I N . 27791 5 119 . 2 2 87 87 ARG H H 1 7.877 0.002 . 1 . . . . . 87 R H . 27791 5 120 . 2 2 87 87 ARG N N 15 115.472 0.02 . 1 . . . . . 87 R N . 27791 5 121 . 2 2 88 88 ASN H H 1 7.607 0.002 . 1 . . . . . 88 N H . 27791 5 122 . 2 2 88 88 ASN N N 15 113.603 0.02 . 1 . . . . . 88 N N . 27791 5 123 . 2 2 89 89 ASP H H 1 7.346 0.002 . 1 . . . . . 89 D H . 27791 5 124 . 2 2 89 89 ASP N N 15 122.600 0.02 . 1 . . . . . 89 D N . 27791 5 125 . 2 2 90 90 GLU H H 1 8.855 0.002 . 1 . . . . . 90 E H . 27791 5 126 . 2 2 90 90 GLU N N 15 126.155 0.02 . 1 . . . . . 90 E N . 27791 5 127 . 2 2 91 91 GLU H H 1 8.066 0.002 . 1 . . . . . 91 E H . 27791 5 128 . 2 2 91 91 GLU N N 15 117.795 0.02 . 1 . . . . . 91 E N . 27791 5 129 . 2 2 92 92 LEU H H 1 9.143 0.002 . 1 . . . . . 92 L H . 27791 5 130 . 2 2 92 92 LEU N N 15 121.258 0.02 . 1 . . . . . 92 L N . 27791 5 131 . 2 2 93 93 ASN H H 1 8.851 0.002 . 1 . . . . . 93 N H . 27791 5 132 . 2 2 93 93 ASN N N 15 118.077 0.02 . 1 . . . . . 93 N N . 27791 5 133 . 2 2 94 94 LYS H H 1 7.489 0.002 . 1 . . . . . 94 K H . 27791 5 134 . 2 2 94 94 LYS N N 15 118.663 0.02 . 1 . . . . . 94 K N . 27791 5 135 . 2 2 95 95 LEU H H 1 8.024 0.002 . 1 . . . . . 95 L H . 27791 5 136 . 2 2 95 95 LEU N N 15 120.277 0.02 . 1 . . . . . 95 L N . 27791 5 137 . 2 2 97 97 SER H H 1 7.907 0.002 . 1 . . . . . 97 S H . 27791 5 138 . 2 2 97 97 SER N N 15 115.662 0.02 . 1 . . . . . 97 S N . 27791 5 139 . 2 2 99 99 VAL H H 1 7.749 0.002 . 1 . . . . . 99 V H . 27791 5 140 . 2 2 99 99 VAL N N 15 119.567 0.02 . 1 . . . . . 99 V N . 27791 5 141 . 2 2 100 100 THR H H 1 8.176 0.002 . 1 . . . . . 100 T H . 27791 5 142 . 2 2 100 100 THR N N 15 118.567 0.02 . 1 . . . . . 100 T N . 27791 5 143 . 2 2 102 102 ALA H H 1 8.196 0.002 . 1 . . . . . 102 A H . 27791 5 144 . 2 2 102 102 ALA N N 15 126.288 0.02 . 1 . . . . . 102 A N . 27791 5 145 . 2 2 106 106 VAL H H 1 7.914 0.002 . 1 . . . . . 106 V H . 27791 5 146 . 2 2 106 106 VAL N N 15 118.992 0.02 . 1 . . . . . 106 V N . 27791 5 147 . 2 2 107 107 LEU H H 1 8.332 0.002 . 1 . . . . . 107 L H . 27791 5 148 . 2 2 107 107 LEU N N 15 127.318 0.02 . 1 . . . . . 107 L N . 27791 5 149 . 2 2 110 110 ILE H H 1 7.964 0.002 . 1 . . . . . 110 I H . 27791 5 150 . 2 2 110 110 ILE N N 15 120.791 0.02 . 1 . . . . . 110 I N . 27791 5 151 . 2 2 112 112 ALA H H 1 8.132 0.002 . 1 . . . . . 112 A H . 27791 5 152 . 2 2 112 112 ALA N N 15 125.214 0.02 . 1 . . . . . 112 A N . 27791 5 153 . 2 2 113 113 VAL H H 1 7.937 0.002 . 1 . . . . . 113 V H . 27791 5 154 . 2 2 113 113 VAL N N 15 119.189 0.02 . 1 . . . . . 113 V N . 27791 5 155 . 2 2 114 114 LEU H H 1 8.146 0.002 . 1 . . . . . 114 L H . 27791 5 156 . 2 2 114 114 LEU N N 15 125.116 0.02 . 1 . . . . . 114 L N . 27791 5 157 . 2 2 115 115 LEU H H 1 8.086 0.002 . 1 . . . . . 115 L H . 27791 5 158 . 2 2 115 115 LEU N N 15 125.204 0.02 . 1 . . . . . 115 L N . 27791 5 159 . 2 2 123 123 ALA H H 1 7.995 0.002 . 1 . . . . . 123 A H . 27791 5 160 . 2 2 123 123 ALA N N 15 131.847 0.02 . 1 . . . . . 123 A N . 27791 5 stop_ save_