################################### # 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 16158 _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 HSQC' . . . 16158 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.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 3 3 LYS H H 1 8.485 0.000 . 1 . . . . 752 K HN . 16158 1 2 . 1 1 3 3 LYS N N 15 122.338 0.000 . 1 . . . . 752 K N . 16158 1 3 . 1 1 4 4 LEU H H 1 8.264 0.000 . 1 . . . . 753 L HN . 16158 1 4 . 1 1 4 4 LEU N N 15 124.259 0.000 . 1 . . . . 753 L N . 16158 1 5 . 1 1 5 5 LEU H H 1 8.218 0.000 . 1 . . . . 754 L HN . 16158 1 6 . 1 1 5 5 LEU N N 15 123.549 0.000 . 1 . . . . 754 L N . 16158 1 7 . 1 1 6 6 MET H H 1 8.257 0.000 . 1 . . . . 755 M HN . 16158 1 8 . 1 1 6 6 MET N N 15 121.829 0.000 . 1 . . . . 755 M N . 16158 1 9 . 1 1 7 7 ILE H H 1 8.119 0.000 . 1 . . . . 756 I HN . 16158 1 10 . 1 1 7 7 ILE N N 15 123.074 0.000 . 1 . . . . 756 I N . 16158 1 11 . 1 1 8 8 ILE H H 1 8.186 0.000 . 1 . . . . 757 I HN . 16158 1 12 . 1 1 8 8 ILE N N 15 125.380 0.000 . 1 . . . . 757 I N . 16158 1 13 . 1 1 9 9 HIS H H 1 8.508 0.000 . 1 . . . . 758 H HN . 16158 1 14 . 1 1 9 9 HIS N N 15 123.767 0.000 . 1 . . . . 758 H N . 16158 1 15 . 1 1 10 10 ASP H H 1 8.352 0.000 . 1 . . . . 759 D HN . 16158 1 16 . 1 1 10 10 ASP N N 15 121.984 0.000 . 1 . . . . 759 D N . 16158 1 17 . 1 1 11 11 ARG H H 1 8.464 0.000 . 1 . . . . 760 R HN . 16158 1 18 . 1 1 11 11 ARG N N 15 122.398 0.000 . 1 . . . . 760 R N . 16158 1 19 . 1 1 12 12 ARG H H 1 8.416 0.000 . 1 . . . . 761 R HN . 16158 1 20 . 1 1 12 12 ARG N N 15 121.756 0.000 . 1 . . . . 761 R N . 16158 1 21 . 1 1 13 13 GLU H H 1 8.353 0.000 . 1 . . . . 762 E HN . 16158 1 22 . 1 1 13 13 GLU N N 15 120.919 0.000 . 1 . . . . 762 E N . 16158 1 23 . 1 1 14 14 PHE H H 1 8.101 0.000 . 1 . . . . 763 F HN . 16158 1 24 . 1 1 14 14 PHE N N 15 120.330 0.000 . 1 . . . . 763 F N . 16158 1 25 . 1 1 15 15 ALA H H 1 8.131 0.000 . 1 . . . . 764 A HN . 16158 1 26 . 1 1 15 15 ALA N N 15 124.311 0.000 . 1 . . . . 764 A N . 16158 1 27 . 1 1 16 16 LYS H H 1 8.021 0.000 . 1 . . . . 765 K HN . 16158 1 28 . 1 1 16 16 LYS N N 15 119.776 0.000 . 1 . . . . 765 K N . 16158 1 29 . 1 1 17 17 PHE H H 1 8.067 0.000 . 1 . . . . 766 F HN . 16158 1 30 . 1 1 17 17 PHE N N 15 120.141 0.000 . 1 . . . . 766 F N . 16158 1 31 . 1 1 18 18 GLU H H 1 8.198 0.000 . 1 . . . . 767 E HN . 16158 1 32 . 1 1 18 18 GLU N N 15 122.046 0.000 . 1 . . . . 767 E N . 16158 1 33 . 1 1 19 19 LYS H H 1 8.181 0.000 . 1 . . . . 768 K HN . 16158 1 34 . 1 1 19 19 LYS N N 15 121.652 0.000 . 1 . . . . 768 K N . 16158 1 35 . 1 1 20 20 GLU H H 1 8.366 0.000 . 1 . . . . 769 E HN . 16158 1 36 . 1 1 20 20 GLU N N 15 120.550 0.000 . 1 . . . . 769 E N . 16158 1 37 . 1 1 21 21 LYS H H 1 8.104 0.000 . 1 . . . . 770 K HN . 16158 1 38 . 1 1 21 21 LYS N N 15 121.078 0.000 . 1 . . . . 770 K N . 16158 1 39 . 1 1 22 22 MET H H 1 8.166 0.000 . 1 . . . . 771 M HN . 16158 1 40 . 1 1 22 22 MET N N 15 120.337 0.000 . 1 . . . . 771 M N . 16158 1 41 . 1 1 23 23 ASN H H 1 8.286 0.000 . 1 . . . . 772 N HN . 16158 1 42 . 1 1 23 23 ASN HD21 H 1 7.582 0.000 . 2 . . . . 772 N HD21 . 16158 1 43 . 1 1 23 23 ASN HD22 H 1 6.896 0.000 . 2 . . . . 772 N HD22 . 16158 1 44 . 1 1 23 23 ASN N N 15 119.509 0.000 . 1 . . . . 772 N N . 16158 1 45 . 1 1 23 23 ASN ND2 N 15 112.900 0.003 . 1 . . . . 772 N ND2 . 16158 1 46 . 1 1 24 24 ALA H H 1 8.121 0.000 . 1 . . . . 773 A HN . 16158 1 47 . 1 1 24 24 ALA N N 15 124.281 0.000 . 1 . . . . 773 A N . 16158 1 48 . 1 1 25 25 LYS H H 1 8.100 0.000 . 1 . . . . 774 K HN . 16158 1 49 . 1 1 25 25 LYS N N 15 119.687 0.000 . 1 . . . . 774 K N . 16158 1 50 . 1 1 26 26 TRP H H 1 7.957 0.000 . 1 . . . . 775 W HN . 16158 1 51 . 1 1 26 26 TRP HE1 H 1 10.136 0.000 . 1 . . . . 775 W HE1 . 16158 1 52 . 1 1 26 26 TRP N N 15 121.281 0.000 . 1 . . . . 775 W N . 16158 1 53 . 1 1 26 26 TRP NE1 N 15 129.497 0.000 . 1 . . . . 775 W NE1 . 16158 1 54 . 1 1 27 27 ASP H H 1 8.217 0.000 . 1 . . . . 776 D HN . 16158 1 55 . 1 1 27 27 ASP N N 15 121.715 0.000 . 1 . . . . 776 D N . 16158 1 56 . 1 1 28 28 THR H H 1 7.977 0.000 . 1 . . . . 777 T HN . 16158 1 57 . 1 1 28 28 THR N N 15 113.796 0.000 . 1 . . . . 777 T N . 16158 1 58 . 1 1 29 29 GLN H H 1 8.326 0.000 . 1 . . . . 778 Q HN . 16158 1 59 . 1 1 29 29 GLN HE21 H 1 7.564 0.000 . 2 . . . . 778 Q HE21 . 16158 1 60 . 1 1 29 29 GLN HE22 H 1 6.803 0.000 . 2 . . . . 778 Q HE22 . 16158 1 61 . 1 1 29 29 GLN N N 15 121.807 0.000 . 1 . . . . 778 Q N . 16158 1 62 . 1 1 29 29 GLN NE2 N 15 112.720 0.002 . 1 . . . . 778 Q NE2 . 16158 1 63 . 1 1 30 30 GLU H H 1 8.322 0.000 . 1 . . . . 779 E HN . 16158 1 64 . 1 1 30 30 GLU N N 15 121.321 0.000 . 1 . . . . 779 E N . 16158 1 65 . 1 1 31 31 ASN H H 1 8.386 0.000 . 1 . . . . 780 N HN . 16158 1 66 . 1 1 31 31 ASN HD21 H 1 7.643 0.000 . 2 . . . . 780 N HD21 . 16158 1 67 . 1 1 31 31 ASN HD22 H 1 6.896 0.000 . 2 . . . . 780 N HD22 . 16158 1 68 . 1 1 31 31 ASN N N 15 120.816 0.000 . 1 . . . . 780 N N . 16158 1 69 . 1 1 31 31 ASN ND2 N 15 113.296 0.002 . 1 . . . . 780 N ND2 . 16158 1 70 . 1 1 33 33 ILE H H 1 8.015 0.000 . 1 . . . . 782 I HN . 16158 1 71 . 1 1 33 33 ILE N N 15 119.427 0.000 . 1 . . . . 782 I N . 16158 1 72 . 1 1 34 34 TYR H H 1 7.966 0.000 . 1 . . . . 783 Y HN . 16158 1 73 . 1 1 34 34 TYR N N 15 123.157 0.000 . 1 . . . . 783 Y N . 16158 1 74 . 1 1 35 35 LYS H H 1 7.975 0.000 . 1 . . . . 784 K HN . 16158 1 75 . 1 1 35 35 LYS N N 15 123.588 0.000 . 1 . . . . 784 K N . 16158 1 76 . 1 1 36 36 SER H H 1 8.227 0.000 . 1 . . . . 785 S HN . 16158 1 77 . 1 1 36 36 SER N N 15 118.669 0.000 . 1 . . . . 785 S N . 16158 1 78 . 1 1 38 38 ILE H H 1 8.065 0.000 . 1 . . . . 787 I HN . 16158 1 79 . 1 1 38 38 ILE N N 15 120.117 0.000 . 1 . . . . 787 I N . 16158 1 80 . 1 1 39 39 ASN H H 1 8.349 0.000 . 1 . . . . 788 N HN . 16158 1 81 . 1 1 39 39 ASN HD21 H 1 7.579 0.000 . 2 . . . . 788 N HD21 . 16158 1 82 . 1 1 39 39 ASN HD22 H 1 6.897 0.000 . 2 . . . . 788 N HD22 . 16158 1 83 . 1 1 39 39 ASN N N 15 122.044 0.000 . 1 . . . . 788 N N . 16158 1 84 . 1 1 39 39 ASN ND2 N 15 112.860 0.002 . 1 . . . . 788 N ND2 . 16158 1 85 . 1 1 40 40 ASN H H 1 8.265 0.000 . 1 . . . . 789 N HN . 16158 1 86 . 1 1 40 40 ASN HD21 H 1 7.482 0.000 . 2 . . . . 789 N HD21 . 16158 1 87 . 1 1 40 40 ASN HD22 H 1 6.823 0.000 . 2 . . . . 789 N HD22 . 16158 1 88 . 1 1 40 40 ASN N N 15 119.687 0.000 . 1 . . . . 789 N N . 16158 1 89 . 1 1 40 40 ASN ND2 N 15 112.448 0.002 . 1 . . . . 789 N ND2 . 16158 1 90 . 1 1 41 41 PHE H H 1 8.069 0.000 . 1 . . . . 790 F HN . 16158 1 91 . 1 1 41 41 PHE N N 15 120.166 0.000 . 1 . . . . 790 F N . 16158 1 92 . 1 1 42 42 LYS H H 1 8.050 0.000 . 1 . . . . 791 K HN . 16158 1 93 . 1 1 42 42 LYS N N 15 122.133 0.000 . 1 . . . . 791 K N . 16158 1 94 . 1 1 43 43 ASN H H 1 8.221 0.000 . 1 . . . . 792 N HN . 16158 1 95 . 1 1 43 43 ASN HD21 H 1 7.685 0.000 . 2 . . . . 792 N HD21 . 16158 1 96 . 1 1 43 43 ASN HD22 H 1 7.043 0.000 . 2 . . . . 792 N HD22 . 16158 1 97 . 1 1 43 43 ASN N N 15 120.769 0.000 . 1 . . . . 792 N N . 16158 1 98 . 1 1 43 43 ASN ND2 N 15 113.223 0.002 . 1 . . . . 792 N ND2 . 16158 1 99 . 1 1 45 45 ASN H H 1 8.359 0.000 . 1 . . . . 794 N HN . 16158 1 100 . 1 1 45 45 ASN HD21 H 1 7.593 0.000 . 2 . . . . 794 N HD21 . 16158 1 101 . 1 1 45 45 ASN HD22 H 1 6.950 0.000 . 2 . . . . 794 N HD22 . 16158 1 102 . 1 1 45 45 ASN N N 15 117.373 0.000 . 1 . . . . 794 N N . 16158 1 103 . 1 1 45 45 ASN ND2 N 15 113.397 0.002 . 1 . . . . 794 N ND2 . 16158 1 104 . 1 1 46 46 TYR H H 1 7.928 0.000 . 1 . . . . 795 Y HN . 16158 1 105 . 1 1 46 46 TYR N N 15 120.890 0.000 . 1 . . . . 795 Y N . 16158 1 106 . 1 1 47 47 GLY H H 1 8.291 0.000 . 1 . . . . 796 G HN . 16158 1 107 . 1 1 47 47 GLY N N 15 110.941 0.000 . 1 . . . . 796 G N . 16158 1 108 . 1 1 48 48 ARG H H 1 7.971 0.000 . 1 . . . . 797 R HN . 16158 1 109 . 1 1 48 48 ARG N N 15 120.770 0.000 . 1 . . . . 797 R N . 16158 1 110 . 1 1 49 49 LYS H H 1 8.371 0.000 . 1 . . . . 798 K HN . 16158 1 111 . 1 1 49 49 LYS N N 15 123.298 0.000 . 1 . . . . 798 K N . 16158 1 112 . 1 1 50 50 ALA H H 1 8.330 0.000 . 1 . . . . 799 A HN . 16158 1 113 . 1 1 50 50 ALA N N 15 125.587 0.000 . 1 . . . . 799 A N . 16158 1 114 . 1 1 51 51 GLY H H 1 8.332 0.000 . 1 . . . . 800 G HN . 16158 1 115 . 1 1 51 51 GLY N N 15 109.030 0.000 . 1 . . . . 800 G N . 16158 1 116 . 1 1 52 52 LEU H H 1 7.738 0.000 . 1 . . . . 801 L HN . 16158 1 117 . 1 1 52 52 LEU N N 15 127.272 0.000 . 1 . . . . 801 L N . 16158 1 stop_ save_