################################### # 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 25307 _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' . . . 25307 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 5 5 ASN H H 1 8.61 0.01 . 1 . . . A 641 ASN H . 25307 1 2 . 1 1 5 5 ASN HD21 H 1 6.98 0.01 . 2 . . . A 641 ASN HD21 . 25307 1 3 . 1 1 5 5 ASN HD22 H 1 7.66 0.01 . 2 . . . A 641 ASN HD22 . 25307 1 4 . 1 1 5 5 ASN N N 15 120.60 0.10 . 1 . . . A 641 ASN N . 25307 1 5 . 1 1 5 5 ASN ND2 N 15 113.10 0.10 . 1 . . . A 641 ASN ND2 . 25307 1 6 . 1 1 6 6 ARG H H 1 8.39 0.01 . 1 . . . A 642 ARG H . 25307 1 7 . 1 1 6 6 ARG N N 15 121.90 0.10 . 1 . . . A 642 ARG N . 25307 1 8 . 1 1 7 7 GLN H H 1 8.41 0.01 . 1 . . . A 643 GLN H . 25307 1 9 . 1 1 7 7 GLN HE21 H 1 6.89 0.01 . 2 . . . A 643 GLN HE21 . 25307 1 10 . 1 1 7 7 GLN HE22 H 1 7.55 0.01 . 2 . . . A 643 GLN HE22 . 25307 1 11 . 1 1 7 7 GLN N N 15 121.30 0.10 . 1 . . . A 643 GLN N . 25307 1 12 . 1 1 7 7 GLN NE2 N 15 112.70 0.10 . 1 . . . A 643 GLN NE2 . 25307 1 13 . 1 1 8 8 LYS H H 1 8.40 0.01 . 1 . . . A 644 LYS H . 25307 1 14 . 1 1 8 8 LYS N N 15 122.90 0.10 . 1 . . . A 644 LYS N . 25307 1 15 . 1 1 9 9 THR H H 1 8.16 0.01 . 1 . . . A 645 THR H . 25307 1 16 . 1 1 9 9 THR N N 15 115.80 0.10 . 1 . . . A 645 THR N . 25307 1 17 . 1 1 10 10 ARG H H 1 8.41 0.01 . 1 . . . A 646 ARG H . 25307 1 18 . 1 1 10 10 ARG N N 15 124.90 0.10 . 1 . . . A 646 ARG N . 25307 1 19 . 1 1 12 12 ARG H H 1 8.60 0.01 . 1 . . . A 648 ARG H . 25307 1 20 . 1 1 12 12 ARG N N 15 122.20 0.10 . 1 . . . A 648 ARG N . 25307 1 21 . 1 1 13 13 THR H H 1 8.25 0.01 . 1 . . . A 649 THR H . 25307 1 22 . 1 1 13 13 THR N N 15 114.70 0.10 . 1 . . . A 649 THR N . 25307 1 23 . 1 1 14 14 LYS H H 1 8.12 0.01 . 1 . . . A 650 LYS H . 25307 1 24 . 1 1 14 14 LYS N N 15 124.30 0.10 . 1 . . . A 650 LYS N . 25307 1 25 . 1 1 15 15 ILE H H 1 8.30 0.01 . 1 . . . A 651 ILE H . 25307 1 26 . 1 1 15 15 ILE N N 15 124.10 0.10 . 1 . . . A 651 ILE N . 25307 1 27 . 1 1 16 16 SER H H 1 8.73 0.01 . 1 . . . A 652 SER H . 25307 1 28 . 1 1 16 16 SER N N 15 124.80 0.10 . 1 . . . A 652 SER N . 25307 1 29 . 1 1 17 17 VAL H H 1 8.64 0.01 . 1 . . . A 653 VAL H . 25307 1 30 . 1 1 17 17 VAL N N 15 120.10 0.10 . 1 . . . A 653 VAL N . 25307 1 31 . 1 1 18 18 GLU H H 1 8.71 0.01 . 1 . . . A 654 GLU H . 25307 1 32 . 1 1 18 18 GLU N N 15 121.30 0.10 . 1 . . . A 654 GLU N . 25307 1 33 . 1 1 19 19 ALA H H 1 7.98 0.01 . 1 . . . A 655 ALA H . 25307 1 34 . 1 1 19 19 ALA N N 15 123.70 0.10 . 1 . . . A 655 ALA N . 25307 1 35 . 1 1 20 20 LEU H H 1 8.56 0.01 . 1 . . . A 656 LEU H . 25307 1 36 . 1 1 20 20 LEU N N 15 118.90 0.10 . 1 . . . A 656 LEU N . 25307 1 37 . 1 1 21 21 GLY H H 1 7.81 0.01 . 1 . . . A 657 GLY H . 25307 1 38 . 1 1 21 21 GLY N N 15 105.50 0.10 . 1 . . . A 657 GLY N . 25307 1 39 . 1 1 22 22 ILE H H 1 7.43 0.01 . 1 . . . A 658 ILE H . 25307 1 40 . 1 1 22 22 ILE N N 15 124.20 0.10 . 1 . . . A 658 ILE N . 25307 1 41 . 1 1 23 23 LEU H H 1 8.37 0.01 . 1 . . . A 659 LEU H . 25307 1 42 . 1 1 23 23 LEU N N 15 122.60 0.10 . 1 . . . A 659 LEU N . 25307 1 43 . 1 1 24 24 GLN H H 1 8.85 0.01 . 1 . . . A 660 GLN H . 25307 1 44 . 1 1 24 24 GLN HE21 H 1 6.73 0.01 . 2 . . . A 660 GLN HE21 . 25307 1 45 . 1 1 24 24 GLN HE22 H 1 7.31 0.01 . 2 . . . A 660 GLN HE22 . 25307 1 46 . 1 1 24 24 GLN N N 15 117.70 0.10 . 1 . . . A 660 GLN N . 25307 1 47 . 1 1 24 24 GLN NE2 N 15 110.10 0.10 . 1 . . . A 660 GLN NE2 . 25307 1 48 . 1 1 25 25 SER H H 1 8.07 0.01 . 1 . . . A 661 SER H . 25307 1 49 . 1 1 25 25 SER N N 15 116.80 0.10 . 1 . . . A 661 SER N . 25307 1 50 . 1 1 26 26 PHE H H 1 8.14 0.01 . 1 . . . A 662 PHE H . 25307 1 51 . 1 1 26 26 PHE N N 15 123.80 0.10 . 1 . . . A 662 PHE N . 25307 1 52 . 1 1 27 27 ILE H H 1 8.41 0.01 . 1 . . . A 663 ILE H . 25307 1 53 . 1 1 27 27 ILE N N 15 120.80 0.10 . 1 . . . A 663 ILE N . 25307 1 54 . 1 1 28 28 GLN H H 1 7.75 0.01 . 1 . . . A 664 GLN H . 25307 1 55 . 1 1 28 28 GLN HE21 H 1 6.85 0.01 . 2 . . . A 664 GLN HE21 . 25307 1 56 . 1 1 28 28 GLN HE22 H 1 7.60 0.01 . 2 . . . A 664 GLN HE22 . 25307 1 57 . 1 1 28 28 GLN N N 15 117.50 0.10 . 1 . . . A 664 GLN N . 25307 1 58 . 1 1 28 28 GLN NE2 N 15 112.20 0.10 . 1 . . . A 664 GLN NE2 . 25307 1 59 . 1 1 29 29 ASP H H 1 8.15 0.01 . 1 . . . A 665 ASP H . 25307 1 60 . 1 1 29 29 ASP N N 15 117.60 0.10 . 1 . . . A 665 ASP N . 25307 1 61 . 1 1 30 30 VAL H H 1 8.48 0.01 . 1 . . . A 666 VAL H . 25307 1 62 . 1 1 30 30 VAL N N 15 120.30 0.10 . 1 . . . A 666 VAL N . 25307 1 63 . 1 1 31 31 GLY H H 1 7.88 0.01 . 1 . . . A 667 GLY H . 25307 1 64 . 1 1 31 31 GLY N N 15 109.70 0.10 . 1 . . . A 667 GLY N . 25307 1 65 . 1 1 32 32 LEU H H 1 8.05 0.01 . 1 . . . A 668 LEU H . 25307 1 66 . 1 1 32 32 LEU N N 15 114.10 0.10 . 1 . . . A 668 LEU N . 25307 1 67 . 1 1 33 33 TYR H H 1 8.45 0.01 . 1 . . . A 669 TYR H . 25307 1 68 . 1 1 33 33 TYR N N 15 117.50 0.10 . 1 . . . A 669 TYR N . 25307 1 69 . 1 1 35 35 ASP H H 1 8.32 0.01 . 1 . . . A 671 ASP H . 25307 1 70 . 1 1 35 35 ASP N N 15 121.40 0.10 . 1 . . . A 671 ASP N . 25307 1 71 . 1 1 36 36 GLU H H 1 8.46 0.01 . 1 . . . A 672 GLU H . 25307 1 72 . 1 1 36 36 GLU N N 15 118.10 0.10 . 1 . . . A 672 GLU N . 25307 1 73 . 1 1 37 37 GLU H H 1 8.23 0.01 . 1 . . . A 673 GLU H . 25307 1 74 . 1 1 37 37 GLU N N 15 119.90 0.10 . 1 . . . A 673 GLU N . 25307 1 75 . 1 1 38 38 ALA H H 1 8.35 0.01 . 1 . . . A 674 ALA H . 25307 1 76 . 1 1 38 38 ALA N N 15 124.70 0.10 . 1 . . . A 674 ALA N . 25307 1 77 . 1 1 39 39 ILE H H 1 8.22 0.01 . 1 . . . A 675 ILE H . 25307 1 78 . 1 1 39 39 ILE N N 15 118.10 0.10 . 1 . . . A 675 ILE N . 25307 1 79 . 1 1 40 40 GLN H H 1 8.17 0.01 . 1 . . . A 676 GLN H . 25307 1 80 . 1 1 40 40 GLN HE21 H 1 6.91 0.01 . 2 . . . A 676 GLN HE21 . 25307 1 81 . 1 1 40 40 GLN HE22 H 1 7.62 0.01 . 2 . . . A 676 GLN HE22 . 25307 1 82 . 1 1 40 40 GLN N N 15 120.10 0.10 . 1 . . . A 676 GLN N . 25307 1 83 . 1 1 40 40 GLN NE2 N 15 112.20 0.10 . 1 . . . A 676 GLN NE2 . 25307 1 84 . 1 1 41 41 THR H H 1 8.53 0.01 . 1 . . . A 677 THR H . 25307 1 85 . 1 1 41 41 THR N N 15 118.60 0.10 . 1 . . . A 677 THR N . 25307 1 86 . 1 1 42 42 LEU H H 1 8.48 0.01 . 1 . . . A 678 LEU H . 25307 1 87 . 1 1 42 42 LEU N N 15 122.80 0.10 . 1 . . . A 678 LEU N . 25307 1 88 . 1 1 43 43 SER H H 1 8.32 0.01 . 1 . . . A 679 SER H . 25307 1 89 . 1 1 43 43 SER N N 15 113.50 0.10 . 1 . . . A 679 SER N . 25307 1 90 . 1 1 44 44 ALA H H 1 7.86 0.01 . 1 . . . A 680 ALA H . 25307 1 91 . 1 1 44 44 ALA N N 15 121.50 0.10 . 1 . . . A 680 ALA N . 25307 1 92 . 1 1 45 45 GLN H H 1 8.45 0.01 . 1 . . . A 681 GLN H . 25307 1 93 . 1 1 45 45 GLN HE21 H 1 6.64 0.01 . 2 . . . A 681 GLN HE21 . 25307 1 94 . 1 1 45 45 GLN HE22 H 1 7.31 0.01 . 2 . . . A 681 GLN HE22 . 25307 1 95 . 1 1 45 45 GLN N N 15 118.10 0.10 . 1 . . . A 681 GLN N . 25307 1 96 . 1 1 45 45 GLN NE2 N 15 108.90 0.10 . 1 . . . A 681 GLN NE2 . 25307 1 97 . 1 1 46 46 LEU H H 1 8.15 0.01 . 1 . . . A 682 LEU H . 25307 1 98 . 1 1 46 46 LEU N N 15 114.80 0.10 . 1 . . . A 682 LEU N . 25307 1 99 . 1 1 47 47 ASP H H 1 7.83 0.01 . 1 . . . A 683 ASP H . 25307 1 100 . 1 1 47 47 ASP N N 15 119.60 0.10 . 1 . . . A 683 ASP N . 25307 1 101 . 1 1 48 48 LEU H H 1 7.66 0.01 . 1 . . . A 684 LEU H . 25307 1 102 . 1 1 48 48 LEU N N 15 117.10 0.10 . 1 . . . A 684 LEU N . 25307 1 103 . 1 1 50 50 LYS H H 1 8.96 0.01 . 1 . . . A 686 LYS H . 25307 1 104 . 1 1 50 50 LYS N N 15 123.60 0.10 . 1 . . . A 686 LYS N . 25307 1 105 . 1 1 51 51 TYR H H 1 8.15 0.01 . 1 . . . A 687 TYR H . 25307 1 106 . 1 1 51 51 TYR N N 15 114.20 0.10 . 1 . . . A 687 TYR N . 25307 1 107 . 1 1 52 52 THR H H 1 6.97 0.01 . 1 . . . A 688 THR H . 25307 1 108 . 1 1 52 52 THR N N 15 118.50 0.10 . 1 . . . A 688 THR N . 25307 1 109 . 1 1 53 53 ILE H H 1 7.28 0.01 . 1 . . . A 689 ILE H . 25307 1 110 . 1 1 53 53 ILE N N 15 122.10 0.10 . 1 . . . A 689 ILE N . 25307 1 111 . 1 1 54 54 ILE H H 1 8.63 0.01 . 1 . . . A 690 ILE H . 25307 1 112 . 1 1 54 54 ILE N N 15 120.40 0.10 . 1 . . . A 690 ILE N . 25307 1 113 . 1 1 55 55 LYS H H 1 8.01 0.01 . 1 . . . A 691 LYS H . 25307 1 114 . 1 1 55 55 LYS N N 15 119.60 0.10 . 1 . . . A 691 LYS N . 25307 1 115 . 1 1 56 56 PHE H H 1 7.82 0.01 . 1 . . . A 692 PHE H . 25307 1 116 . 1 1 56 56 PHE N N 15 120.30 0.10 . 1 . . . A 692 PHE N . 25307 1 117 . 1 1 57 57 PHE H H 1 8.11 0.01 . 1 . . . A 693 PHE H . 25307 1 118 . 1 1 57 57 PHE N N 15 118.20 0.10 . 1 . . . A 693 PHE N . 25307 1 119 . 1 1 58 58 GLN H H 1 8.55 0.01 . 1 . . . A 694 GLN H . 25307 1 120 . 1 1 58 58 GLN HE21 H 1 6.85 0.01 . 2 . . . A 694 GLN HE21 . 25307 1 121 . 1 1 58 58 GLN HE22 H 1 7.48 0.01 . 2 . . . A 694 GLN HE22 . 25307 1 122 . 1 1 58 58 GLN N N 15 119.30 0.10 . 1 . . . A 694 GLN N . 25307 1 123 . 1 1 58 58 GLN NE2 N 15 111.30 0.10 . 1 . . . A 694 GLN NE2 . 25307 1 124 . 1 1 59 59 ASN H H 1 8.56 0.01 . 1 . . . A 695 ASN H . 25307 1 125 . 1 1 59 59 ASN HD21 H 1 6.89 0.01 . 2 . . . A 695 ASN HD21 . 25307 1 126 . 1 1 59 59 ASN HD22 H 1 7.63 0.01 . 2 . . . A 695 ASN HD22 . 25307 1 127 . 1 1 59 59 ASN N N 15 118.90 0.10 . 1 . . . A 695 ASN N . 25307 1 128 . 1 1 59 59 ASN ND2 N 15 112.00 0.10 . 1 . . . A 695 ASN ND2 . 25307 1 129 . 1 1 60 60 GLN H H 1 8.02 0.01 . 1 . . . A 696 GLN H . 25307 1 130 . 1 1 60 60 GLN HE21 H 1 6.52 0.01 . 2 . . . A 696 GLN HE21 . 25307 1 131 . 1 1 60 60 GLN HE22 H 1 6.73 0.01 . 2 . . . A 696 GLN HE22 . 25307 1 132 . 1 1 60 60 GLN N N 15 119.70 0.10 . 1 . . . A 696 GLN N . 25307 1 133 . 1 1 60 60 GLN NE2 N 15 113.10 0.10 . 1 . . . A 696 GLN NE2 . 25307 1 134 . 1 1 61 61 ARG H H 1 8.24 0.01 . 1 . . . A 697 ARG H . 25307 1 135 . 1 1 61 61 ARG N N 15 118.30 0.10 . 1 . . . A 697 ARG N . 25307 1 136 . 1 1 62 62 TYR H H 1 7.93 0.01 . 1 . . . A 698 TYR H . 25307 1 137 . 1 1 62 62 TYR N N 15 120.30 0.10 . 1 . . . A 698 TYR N . 25307 1 138 . 1 1 63 63 TYR H H 1 8.29 0.01 . 1 . . . A 699 TYR H . 25307 1 139 . 1 1 63 63 TYR N N 15 120.10 0.10 . 1 . . . A 699 TYR N . 25307 1 140 . 1 1 64 64 LEU H H 1 8.10 0.01 . 1 . . . A 700 LEU H . 25307 1 141 . 1 1 64 64 LEU N N 15 119.80 0.10 . 1 . . . A 700 LEU N . 25307 1 142 . 1 1 65 65 LYS H H 1 7.75 0.01 . 1 . . . A 701 LYS H . 25307 1 143 . 1 1 65 65 LYS N N 15 118.60 0.10 . 1 . . . A 701 LYS N . 25307 1 144 . 1 1 66 66 HIS H H 1 7.81 0.01 . 1 . . . A 702 HIS H . 25307 1 145 . 1 1 66 66 HIS N N 15 115.70 0.10 . 1 . . . A 702 HIS N . 25307 1 146 . 1 1 67 67 HIS H H 1 8.15 0.01 . 1 . . . A 703 HIS H . 25307 1 147 . 1 1 67 67 HIS N N 15 117.80 0.10 . 1 . . . A 703 HIS N . 25307 1 148 . 1 1 68 68 GLY H H 1 8.27 0.01 . 1 . . . A 704 GLY H . 25307 1 149 . 1 1 68 68 GLY N N 15 109.30 0.10 . 1 . . . A 704 GLY N . 25307 1 150 . 1 1 69 69 LYS H H 1 8.06 0.01 . 1 . . . A 705 LYS H . 25307 1 151 . 1 1 69 69 LYS N N 15 119.80 0.10 . 1 . . . A 705 LYS N . 25307 1 152 . 1 1 70 70 LEU H H 1 8.25 0.01 . 1 . . . A 706 LEU H . 25307 1 153 . 1 1 70 70 LEU N N 15 123.00 0.10 . 1 . . . A 706 LEU N . 25307 1 154 . 1 1 71 71 LYS H H 1 7.83 0.01 . 1 . . . A 707 LYS H . 25307 1 155 . 1 1 71 71 LYS N N 15 126.60 0.10 . 1 . . . A 707 LYS N . 25307 1 stop_ save_