################################### # 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 52108 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chem_shift_list_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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 52108 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52108 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 GLN H H 1 8.882 . . 1 . . . A . 2 Gln H . 52108 1 2 . 1 . 1 2 2 GLN N N 15 123.523 . . 1 . . . A . 2 Gln N . 52108 1 3 . 1 . 1 3 3 ILE H H 1 8.303 . . 1 . . . A . 3 Ile H . 52108 1 4 . 1 . 1 3 3 ILE N N 15 115.73 . . 1 . . . A . 3 Ile N . 52108 1 5 . 1 . 1 4 4 PHE H H 1 8.503 . . 1 . . . A . 4 Phe H . 52108 1 6 . 1 . 1 4 4 PHE N N 15 118.777 . . 1 . . . A . 4 Phe N . 52108 1 7 . 1 . 1 5 5 VAL H H 1 9.212 . . 1 . . . A . 5 Val H . 52108 1 8 . 1 . 1 5 5 VAL N N 15 121.386 . . 1 . . . A . 5 Val N . 52108 1 9 . 1 . 1 6 6 LYS H H 1 8.869 . . 1 . . . A . 6 Lys H . 52108 1 10 . 1 . 1 6 6 LYS N N 15 128.034 . . 1 . . . A . 6 Lys N . 52108 1 11 . 1 . 1 7 7 THR H H 1 8.666 . . 1 . . . A . 7 Thr H . 52108 1 12 . 1 . 1 7 7 THR N N 15 115.573 . . 1 . . . A . 7 Thr N . 52108 1 13 . 1 . 1 8 8 LEU H H 1 9.052 . . 1 . . . A . 8 Leu H . 52108 1 14 . 1 . 1 8 8 LEU N N 15 121.303 . . 1 . . . A . 8 Leu N . 52108 1 15 . 1 . 1 9 9 THR H H 1 7.553 . . 1 . . . A . 9 Thr H . 52108 1 16 . 1 . 1 9 9 THR N N 15 105.93 . . 1 . . . A . 9 Thr N . 52108 1 17 . 1 . 1 10 10 GLY H H 1 7.744 . . 1 . . . A . 10 Gly H . 52108 1 18 . 1 . 1 10 10 GLY N N 15 109.341 . . 1 . . . A . 10 Gly N . 52108 1 19 . 1 . 1 11 11 LYS H H 1 7.184 . . 1 . . . A . 11 Lys H . 52108 1 20 . 1 . 1 11 11 LYS N N 15 121.972 . . 1 . . . A . 11 Lys N . 52108 1 21 . 1 . 1 12 12 THR H H 1 8.565 . . 1 . . . A . 12 Thr H . 52108 1 22 . 1 . 1 12 12 THR N N 15 120.6 . . 1 . . . A . 12 Thr N . 52108 1 23 . 1 . 1 13 13 ILE H H 1 9.478 . . 1 . . . A . 13 Ile H . 52108 1 24 . 1 . 1 13 13 ILE N N 15 127.925 . . 1 . . . A . 13 Ile N . 52108 1 25 . 1 . 1 14 14 THR H H 1 8.66 . . 1 . . . A . 14 Thr H . 52108 1 26 . 1 . 1 14 14 THR N N 15 121.872 . . 1 . . . A . 14 Thr N . 52108 1 27 . 1 . 1 15 15 LEU H H 1 8.671 . . 1 . . . A . 15 Leu H . 52108 1 28 . 1 . 1 15 15 LEU N N 15 125.213 . . 1 . . . A . 15 Leu N . 52108 1 29 . 1 . 1 16 16 GLU H H 1 8.035 . . 1 . . . A . 16 Glu H . 52108 1 30 . 1 . 1 16 16 GLU N N 15 123.028 . . 1 . . . A . 16 Glu N . 52108 1 31 . 1 . 1 17 17 VAL H H 1 8.749 . . 1 . . . A . 17 Val H . 52108 1 32 . 1 . 1 17 17 VAL N N 15 117.515 . . 1 . . . A . 17 Val N . 52108 1 33 . 1 . 1 18 18 GLU H H 1 8.835 . . 1 . . . A . 18 Glu H . 52108 1 34 . 1 . 1 18 18 GLU N N 15 119.766 . . 1 . . . A . 18 Glu N . 52108 1 35 . 1 . 1 20 20 SER H H 1 6.959 . . 1 . . . A . 20 Ser H . 52108 1 36 . 1 . 1 20 20 SER N N 15 103.601 . . 1 . . . A . 20 Ser N . 52108 1 37 . 1 . 1 21 21 ASP H H 1 7.965 . . 1 . . . A . 21 Asp H . 52108 1 38 . 1 . 1 21 21 ASP N N 15 123.79 . . 1 . . . A . 21 Asp N . 52108 1 39 . 1 . 1 22 22 THR H H 1 7.779 . . 1 . . . A . 22 Thr H . 52108 1 40 . 1 . 1 22 22 THR N N 15 108.497 . . 1 . . . A . 22 Thr N . 52108 1 41 . 1 . 1 23 23 ILE H H 1 8.399 . . 1 . . . A . 23 Ile H . 52108 1 42 . 1 . 1 23 23 ILE N N 15 121.181 . . 1 . . . A . 23 Ile N . 52108 1 43 . 1 . 1 25 25 ASN H H 1 7.838 . . 1 . . . A . 25 Asn H . 52108 1 44 . 1 . 1 25 25 ASN N N 15 121.074 . . 1 . . . A . 25 Asn N . 52108 1 45 . 1 . 1 26 26 VAL H H 1 7.937 . . 1 . . . A . 26 Val H . 52108 1 46 . 1 . 1 26 26 VAL N N 15 122.266 . . 1 . . . A . 26 Val N . 52108 1 47 . 1 . 1 27 27 LYS H H 1 8.456 . . 1 . . . A . 27 Lys H . 52108 1 48 . 1 . 1 27 27 LYS N N 15 118.871 . . 1 . . . A . 27 Lys N . 52108 1 49 . 1 . 1 28 28 ALA H H 1 7.889 . . 1 . . . A . 28 Ala H . 52108 1 50 . 1 . 1 28 28 ALA N N 15 123.308 . . 1 . . . A . 28 Ala N . 52108 1 51 . 1 . 1 30 30 ILE H H 1 8.176 . . 1 . . . A . 30 Ile H . 52108 1 52 . 1 . 1 30 30 ILE N N 15 120.79 . . 1 . . . A . 30 Ile N . 52108 1 53 . 1 . 1 31 31 GLN H H 1 8.436 . . 1 . . . A . 31 Gln H . 52108 1 54 . 1 . 1 31 31 GLN N N 15 123.256 . . 1 . . . A . 31 Gln N . 52108 1 55 . 1 . 1 32 32 ASP H H 1 7.871 . . 1 . . . A . 32 Asp H . 52108 1 56 . 1 . 1 32 32 ASP N N 15 120.161 . . 1 . . . A . 32 Asp N . 52108 1 57 . 1 . 1 33 33 LYS H H 1 7.576 . . 1 . . . A . 33 Lys H . 52108 1 58 . 1 . 1 33 33 LYS N N 15 115.719 . . 1 . . . A . 33 Lys N . 52108 1 59 . 1 . 1 34 34 GLU H H 1 8.66 . . 1 . . . A . 34 Glu H . 52108 1 60 . 1 . 1 34 34 GLU N N 15 114.294 . . 1 . . . A . 34 Glu N . 52108 1 61 . 1 . 1 35 35 GLY H H 1 8.328 . . 1 . . . A . 35 Gly H . 52108 1 62 . 1 . 1 35 35 GLY N N 15 108.972 . . 1 . . . A . 35 Gly N . 52108 1 63 . 1 . 1 36 36 ILE H H 1 6.082 . . 1 . . . A . 36 Ile H . 52108 1 64 . 1 . 1 36 36 ILE N N 15 120.439 . . 1 . . . A . 36 Ile N . 52108 1 65 . 1 . 1 39 39 ASP H H 1 8.451 . . 1 . . . A . 39 Asp H . 52108 1 66 . 1 . 1 39 39 ASP N N 15 113.652 . . 1 . . . A . 39 Asp N . 52108 1 67 . 1 . 1 40 40 GLN H H 1 7.737 . . 1 . . . A . 40 Gln H . 52108 1 68 . 1 . 1 40 40 GLN N N 15 116.973 . . 1 . . . A . 40 Gln N . 52108 1 69 . 1 . 1 41 41 GLN H H 1 7.387 . . 1 . . . A . 41 Gln H . 52108 1 70 . 1 . 1 41 41 GLN N N 15 118.189 . . 1 . . . A . 41 Gln N . 52108 1 71 . 1 . 1 42 42 ARG H H 1 8.436 . . 1 . . . A . 42 Arg H . 52108 1 72 . 1 . 1 42 42 ARG N N 15 123.256 . . 1 . . . A . 42 Arg N . 52108 1 73 . 1 . 1 43 43 LEU H H 1 8.723 . . 1 . . . A . 43 Leu H . 52108 1 74 . 1 . 1 43 43 LEU N N 15 124.594 . . 1 . . . A . 43 Leu N . 52108 1 75 . 1 . 1 44 44 ILE H H 1 9.045 . . 1 . . . A . 44 Ile H . 52108 1 76 . 1 . 1 44 44 ILE N N 15 122.412 . . 1 . . . A . 44 Ile N . 52108 1 77 . 1 . 1 45 45 PHE H H 1 8.755 . . 1 . . . A . 45 Phe H . 52108 1 78 . 1 . 1 45 45 PHE N N 15 124.967 . . 1 . . . A . 45 Phe N . 52108 1 79 . 1 . 1 46 46 ALA H H 1 8.929 . . 1 . . . A . 46 Ala H . 52108 1 80 . 1 . 1 46 46 ALA N N 15 133.113 . . 1 . . . A . 46 Ala N . 52108 1 81 . 1 . 1 47 47 GLY H H 1 8.027 . . 1 . . . A . 47 Gly H . 52108 1 82 . 1 . 1 47 47 GLY N N 15 102.515 . . 1 . . . A . 47 Gly N . 52108 1 83 . 1 . 1 48 48 LYS H H 1 7.892 . . 1 . . . A . 48 Lys H . 52108 1 84 . 1 . 1 48 48 LYS N N 15 122.161 . . 1 . . . A . 48 Lys N . 52108 1 85 . 1 . 1 49 49 GLN H H 1 8.568 . . 1 . . . A . 49 Gln H . 52108 1 86 . 1 . 1 49 49 GLN N N 15 123.182 . . 1 . . . A . 49 Gln N . 52108 1 87 . 1 . 1 50 50 LEU H H 1 8.475 . . 1 . . . A . 50 Leu H . 52108 1 88 . 1 . 1 50 50 LEU N N 15 125.739 . . 1 . . . A . 50 Leu N . 52108 1 89 . 1 . 1 51 51 GLU H H 1 8.326 . . 1 . . . A . 51 Glu H . 52108 1 90 . 1 . 1 51 51 GLU N N 15 123.13 . . 1 . . . A . 51 Glu N . 52108 1 91 . 1 . 1 52 52 ASP H H 1 8.087 . . 1 . . . A . 52 Asp H . 52108 1 92 . 1 . 1 52 52 ASP N N 15 120.357 . . 1 . . . A . 52 Asp N . 52108 1 93 . 1 . 1 54 54 ARG H H 1 7.361 . . 1 . . . A . 54 Arg H . 52108 1 94 . 1 . 1 54 54 ARG N N 15 119.379 . . 1 . . . A . 54 Arg N . 52108 1 95 . 1 . 1 55 55 THR H H 1 8.736 . . 1 . . . A . 55 Thr H . 52108 1 96 . 1 . 1 55 55 THR N N 15 108.972 . . 1 . . . A . 55 Thr N . 52108 1 97 . 1 . 1 56 56 LEU H H 1 8.088 . . 1 . . . A . 56 Leu H . 52108 1 98 . 1 . 1 56 56 LEU N N 15 118.255 . . 1 . . . A . 56 Leu N . 52108 1 99 . 1 . 1 57 57 SER H H 1 8.451 . . 1 . . . A . 57 Ser H . 52108 1 100 . 1 . 1 57 57 SER N N 15 113.652 . . 1 . . . A . 57 Ser N . 52108 1 101 . 1 . 1 58 58 ASP H H 1 7.865 . . 1 . . . A . 58 Asp H . 52108 1 102 . 1 . 1 58 58 ASP N N 15 124.678 . . 1 . . . A . 58 Asp N . 52108 1 103 . 1 . 1 59 59 TYR H H 1 7.166 . . 1 . . . A . 59 Tyr H . 52108 1 104 . 1 . 1 59 59 TYR N N 15 115.853 . . 1 . . . A . 59 Tyr N . 52108 1 105 . 1 . 1 60 60 ASN H H 1 8.083 . . 1 . . . A . 60 Asn H . 52108 1 106 . 1 . 1 60 60 ASN N N 15 116.013 . . 1 . . . A . 60 Asn N . 52108 1 107 . 1 . 1 61 61 ILE H H 1 7.151 . . 1 . . . A . 61 Ile H . 52108 1 108 . 1 . 1 61 61 ILE N N 15 118.999 . . 1 . . . A . 61 Ile N . 52108 1 109 . 1 . 1 62 62 GLN H H 1 7.539 . . 1 . . . A . 62 Gln H . 52108 1 110 . 1 . 1 62 62 GLN N N 15 125.043 . . 1 . . . A . 62 Gln N . 52108 1 111 . 1 . 1 63 63 LYS H H 1 8.401 . . 1 . . . A . 63 Lys H . 52108 1 112 . 1 . 1 63 63 LYS N N 15 120.579 . . 1 . . . A . 63 Lys N . 52108 1 113 . 1 . 1 64 64 GLU H H 1 9.256 . . 1 . . . A . 64 Glu H . 52108 1 114 . 1 . 1 64 64 GLU N N 15 114.825 . . 1 . . . A . 64 Glu N . 52108 1 115 . 1 . 1 65 65 SER H H 1 7.61 . . 1 . . . A . 65 Ser H . 52108 1 116 . 1 . 1 65 65 SER N N 15 115.196 . . 1 . . . A . 65 Ser N . 52108 1 117 . 1 . 1 66 66 THR H H 1 8.634 . . 1 . . . A . 66 Thr H . 52108 1 118 . 1 . 1 66 66 THR N N 15 117.579 . . 1 . . . A . 66 Thr N . 52108 1 119 . 1 . 1 67 67 LEU H H 1 9.355 . . 1 . . . A . 67 Leu H . 52108 1 120 . 1 . 1 67 67 LEU N N 15 127.937 . . 1 . . . A . 67 Leu N . 52108 1 121 . 1 . 1 68 68 HIS H H 1 9.136 . . 1 . . . A . 68 His H . 52108 1 122 . 1 . 1 68 68 HIS N N 15 119.729 . . 1 . . . A . 68 His N . 52108 1 123 . 1 . 1 69 69 LEU H H 1 8.181 . . 1 . . . A . 69 Leu H . 52108 1 124 . 1 . 1 69 69 LEU N N 15 123.848 . . 1 . . . A . 69 Leu N . 52108 1 125 . 1 . 1 70 70 VAL H H 1 9.092 . . 1 . . . A . 70 Val H . 52108 1 126 . 1 . 1 70 70 VAL N N 15 126.598 . . 1 . . . A . 70 Val N . 52108 1 127 . 1 . 1 71 71 LEU H H 1 8.035 . . 1 . . . A . 71 Leu H . 52108 1 128 . 1 . 1 71 71 LEU N N 15 123.028 . . 1 . . . A . 71 Leu N . 52108 1 129 . 1 . 1 72 72 ARG H H 1 8.517 . . 1 . . . A . 72 Arg H . 52108 1 130 . 1 . 1 72 72 ARG N N 15 123.866 . . 1 . . . A . 72 Arg N . 52108 1 131 . 1 . 1 73 73 LEU H H 1 8.292 . . 1 . . . A . 73 Leu H . 52108 1 132 . 1 . 1 73 73 LEU N N 15 124.714 . . 1 . . . A . 73 Leu N . 52108 1 133 . 1 . 1 74 74 ARG H H 1 8.37 . . 1 . . . A . 74 Arg H . 52108 1 134 . 1 . 1 74 74 ARG N N 15 122.109 . . 1 . . . A . 74 Arg N . 52108 1 135 . 1 . 1 75 75 GLY H H 1 8.42 . . 1 . . . A . 75 Gly H . 52108 1 136 . 1 . 1 75 75 GLY N N 15 111.174 . . 1 . . . A . 75 Gly N . 52108 1 137 . 1 . 1 76 76 GLY H H 1 7.874 . . 1 . . . A . 76 Gly H . 52108 1 138 . 1 . 1 76 76 GLY N N 15 115.161 . . 1 . . . A . 76 Gly N . 52108 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 52108 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chem_shift_list_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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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 HSQC' . . . 52108 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52108 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 1 2 2 GLN H H 1 8.872 . . 1 . . . B . 2 GLN H . 52108 2 2 . 2 . 1 2 2 GLN N N 15 122.876 . . 1 . . . B . 2 GLN N . 52108 2 3 . 2 . 1 3 3 ILE H H 1 8.214 . . 1 . . . B . 3 ILE H . 52108 2 4 . 2 . 1 3 3 ILE N N 15 115.073 . . 1 . . . B . 3 ILE N . 52108 2 5 . 2 . 1 4 4 PHE H H 1 8.519 . . 1 . . . B . 4 PHE H . 52108 2 6 . 2 . 1 4 4 PHE N N 15 118.64 . . 1 . . . B . 4 PHE N . 52108 2 7 . 2 . 1 5 5 VAL H H 1 9.21 . . 1 . . . B . 5 VAL H . 52108 2 8 . 2 . 1 5 5 VAL N N 15 121.341 . . 1 . . . B . 5 VAL N . 52108 2 9 . 2 . 1 6 6 LYS H H 1 8.889 . . 1 . . . B . 6 LYS H . 52108 2 10 . 2 . 1 6 6 LYS N N 15 128.066 . . 1 . . . B . 6 LYS N . 52108 2 11 . 2 . 1 7 7 THR H H 1 8.656 . . 1 . . . B . 7 THR H . 52108 2 12 . 2 . 1 7 7 THR N N 15 115.516 . . 1 . . . B . 7 THR N . 52108 2 13 . 2 . 1 8 8 LEU H H 1 9.068 . . 1 . . . B . 8 LEU H . 52108 2 14 . 2 . 1 8 8 LEU N N 15 121.384 . . 1 . . . B . 8 LEU N . 52108 2 15 . 2 . 1 9 9 THR H H 1 7.55 . . 1 . . . B . 9 THR H . 52108 2 16 . 2 . 1 9 9 THR N N 15 105.878 . . 1 . . . B . 9 THR N . 52108 2 17 . 2 . 1 10 10 GLY H H 1 7.745 . . 1 . . . B . 10 GLY H . 52108 2 18 . 2 . 1 10 10 GLY N N 15 109.299 . . 1 . . . B . 10 GLY N . 52108 2 19 . 2 . 1 11 11 LYS H H 1 7.188 . . 1 . . . B . 11 LYS H . 52108 2 20 . 2 . 1 11 11 LYS N N 15 122.021 . . 1 . . . B . 11 LYS N . 52108 2 21 . 2 . 1 12 12 THR H H 1 8.566 . . 1 . . . B . 12 THR H . 52108 2 22 . 2 . 1 12 12 THR N N 15 120.682 . . 1 . . . B . 12 THR N . 52108 2 23 . 2 . 1 13 13 ILE H H 1 9.487 . . 1 . . . B . 13 ILE H . 52108 2 24 . 2 . 1 13 13 ILE N N 15 127.902 . . 1 . . . B . 13 ILE N . 52108 2 25 . 2 . 1 14 14 THR H H 1 8.667 . . 1 . . . B . 14 THR H . 52108 2 26 . 2 . 1 14 14 THR N N 15 121.773 . . 1 . . . B . 14 THR N . 52108 2 27 . 2 . 1 15 15 LEU H H 1 8.655 . . 1 . . . B . 15 LEU H . 52108 2 28 . 2 . 1 15 15 LEU N N 15 125.251 . . 1 . . . B . 15 LEU N . 52108 2 29 . 2 . 1 16 16 GLU H H 1 8.034 . . 1 . . . B . 16 GLU H . 52108 2 30 . 2 . 1 16 16 GLU N N 15 122.424 . . 1 . . . B . 16 GLU N . 52108 2 31 . 2 . 1 17 17 VAL H H 1 8.859 . . 1 . . . B . 17 VAL H . 52108 2 32 . 2 . 1 17 17 VAL N N 15 117.587 . . 1 . . . B . 17 VAL N . 52108 2 33 . 2 . 1 18 18 GLU H H 1 8.564 . . 1 . . . B . 18 GLU H . 52108 2 34 . 2 . 1 18 18 GLU N N 15 119.338 . . 1 . . . B . 18 GLU N . 52108 2 35 . 2 . 1 20 20 SER H H 1 6.941 . . 1 . . . B . 20 SER H . 52108 2 36 . 2 . 1 20 20 SER N N 15 103.454 . . 1 . . . B . 20 SER N . 52108 2 37 . 2 . 1 21 21 ASP H H 1 7.969 . . 1 . . . B . 21 ASP H . 52108 2 38 . 2 . 1 21 21 ASP N N 15 124.018 . . 1 . . . B . 21 ASP N . 52108 2 39 . 2 . 1 22 22 THR H H 1 7.806 . . 1 . . . B . 22 THR H . 52108 2 40 . 2 . 1 22 22 THR N N 15 109.089 . . 1 . . . B . 22 THR N . 52108 2 41 . 2 . 1 23 23 ILE H H 1 8.432 . . 1 . . . B . 23 ILE H . 52108 2 42 . 2 . 1 23 23 ILE N N 15 121.269 . . 1 . . . B . 23 ILE N . 52108 2 43 . 2 . 1 25 25 ASN H H 1 7.846 . . 1 . . . B . 25 ASN H . 52108 2 44 . 2 . 1 25 25 ASN N N 15 121.533 . . 1 . . . B . 25 ASN N . 52108 2 45 . 2 . 1 26 26 VAL H H 1 8.034 . . 1 . . . B . 26 VAL H . 52108 2 46 . 2 . 1 26 26 VAL N N 15 122.424 . . 1 . . . B . 26 VAL N . 52108 2 47 . 2 . 1 27 27 LYS H H 1 8.471 . . 1 . . . B . 27 LYS H . 52108 2 48 . 2 . 1 27 27 LYS N N 15 119.034 . . 1 . . . B . 27 LYS N . 52108 2 49 . 2 . 1 28 28 ALA H H 1 7.884 . . 1 . . . B . 28 ALA H . 52108 2 50 . 2 . 1 28 28 ALA N N 15 123.534 . . 1 . . . B . 28 ALA N . 52108 2 51 . 2 . 1 29 29 LYS H H 1 7.78 . . 1 . . . B . 29 LYS H . 52108 2 52 . 2 . 1 29 29 LYS N N 15 120.357 . . 1 . . . B . 29 LYS N . 52108 2 53 . 2 . 1 30 30 ILE H H 1 8.203 . . 1 . . . B . 30 ILE H . 52108 2 54 . 2 . 1 30 30 ILE N N 15 121.461 . . 1 . . . B . 30 ILE N . 52108 2 55 . 2 . 1 31 31 GLN H H 1 8.467 . . 1 . . . B . 31 GLN H . 52108 2 56 . 2 . 1 31 31 GLN N N 15 123.669 . . 1 . . . B . 31 GLN N . 52108 2 57 . 2 . 1 32 32 ASP H H 1 7.945 . . 1 . . . B . 32 ASP H . 52108 2 58 . 2 . 1 32 32 ASP N N 15 119.829 . . 1 . . . B . 32 ASP N . 52108 2 59 . 2 . 1 33 33 LYS H H 1 7.338 . . 1 . . . B . 33 LYS H . 52108 2 60 . 2 . 1 33 33 LYS N N 15 115.536 . . 1 . . . B . 33 LYS N . 52108 2 61 . 2 . 1 34 34 GLU H H 1 8.64 . . 1 . . . B . 34 GLU H . 52108 2 62 . 2 . 1 34 34 GLU N N 15 114.369 . . 1 . . . B . 34 GLU N . 52108 2 63 . 2 . 1 35 35 GLY H H 1 8.418 . . 1 . . . B . 35 GLY H . 52108 2 64 . 2 . 1 35 35 GLY N N 15 108.936 . . 1 . . . B . 35 GLY N . 52108 2 65 . 2 . 1 36 36 ILE H H 1 6.058 . . 1 . . . B . 36 ILE H . 52108 2 66 . 2 . 1 36 36 ILE N N 15 120.403 . . 1 . . . B . 36 ILE N . 52108 2 67 . 2 . 1 39 39 ASP H H 1 8.452 . . 1 . . . B . 39 ASP H . 52108 2 68 . 2 . 1 39 39 ASP N N 15 113.709 . . 1 . . . B . 39 ASP N . 52108 2 69 . 2 . 1 40 40 GLN H H 1 7.738 . . 1 . . . B . 40 GLN H . 52108 2 70 . 2 . 1 40 40 GLN N N 15 116.951 . . 1 . . . B . 40 GLN N . 52108 2 71 . 2 . 1 41 41 GLN H H 1 7.403 . . 1 . . . B . 41 GLN H . 52108 2 72 . 2 . 1 41 41 GLN N N 15 118.138 . . 1 . . . B . 41 GLN N . 52108 2 73 . 2 . 1 42 42 ARG H H 1 8.409 . . 1 . . . B . 42 ARG H . 52108 2 74 . 2 . 1 42 42 ARG N N 15 123.138 . . 1 . . . B . 42 ARG N . 52108 2 75 . 2 . 1 43 43 LEU H H 1 8.732 . . 1 . . . B . 43 LEU H . 52108 2 76 . 2 . 1 43 43 LEU N N 15 124.441 . . 1 . . . B . 43 LEU N . 52108 2 77 . 2 . 1 44 44 ILE H H 1 9.047 . . 1 . . . B . 44 ILE H . 52108 2 78 . 2 . 1 44 44 ILE N N 15 122.458 . . 1 . . . B . 44 ILE N . 52108 2 79 . 2 . 1 45 45 PHE H H 1 8.766 . . 1 . . . B . 45 PHE H . 52108 2 80 . 2 . 1 45 45 PHE N N 15 124.989 . . 1 . . . B . 45 PHE N . 52108 2 81 . 2 . 1 46 46 ALA H H 1 8.926 . . 1 . . . B . 46 ALA H . 52108 2 82 . 2 . 1 46 46 ALA N N 15 133.092 . . 1 . . . B . 46 ALA N . 52108 2 83 . 2 . 1 47 47 GLY H H 1 8.034 . . 1 . . . B . 47 GLY H . 52108 2 84 . 2 . 1 47 47 GLY N N 15 102.512 . . 1 . . . B . 47 GLY N . 52108 2 85 . 2 . 1 48 48 LYS H H 1 7.872 . . 1 . . . B . 48 LYS H . 52108 2 86 . 2 . 1 48 48 LYS N N 15 121.998 . . 1 . . . B . 48 LYS N . 52108 2 87 . 2 . 1 49 49 GLN H H 1 8.586 . . 1 . . . B . 49 GLN H . 52108 2 88 . 2 . 1 49 49 GLN N N 15 123.257 . . 1 . . . B . 49 GLN N . 52108 2 89 . 2 . 1 50 50 LEU H H 1 8.486 . . 1 . . . B . 50 LEU H . 52108 2 90 . 2 . 1 50 50 LEU N N 15 125.782 . . 1 . . . B . 50 LEU N . 52108 2 91 . 2 . 1 51 51 GLU H H 1 8.315 . . 1 . . . B . 51 GLU H . 52108 2 92 . 2 . 1 51 51 GLU N N 15 123.204 . . 1 . . . B . 51 GLU N . 52108 2 93 . 2 . 1 52 52 ASP H H 1 8.089 . . 1 . . . B . 52 ASP H . 52108 2 94 . 2 . 1 52 52 ASP N N 15 120.521 . . 1 . . . B . 52 ASP N . 52108 2 95 . 2 . 1 54 54 ARG H H 1 7.377 . . 1 . . . B . 54 ARG H . 52108 2 96 . 2 . 1 54 54 ARG N N 15 119.435 . . 1 . . . B . 54 ARG N . 52108 2 97 . 2 . 1 55 55 THR H H 1 8.746 . . 1 . . . B . 55 THR H . 52108 2 98 . 2 . 1 55 55 THR N N 15 108.873 . . 1 . . . B . 55 THR N . 52108 2 99 . 2 . 1 56 56 LEU H H 1 8.062 . . 1 . . . B . 56 LEU H . 52108 2 100 . 2 . 1 56 56 LEU N N 15 118.082 . . 1 . . . B . 56 LEU N . 52108 2 101 . 2 . 1 57 57 SER H H 1 8.405 . . 1 . . . B . 57 SER H . 52108 2 102 . 2 . 1 57 57 SER N N 15 113.581 . . 1 . . . B . 57 SER N . 52108 2 103 . 2 . 1 58 58 ASP H H 1 7.855 . . 1 . . . B . 58 ASP H . 52108 2 104 . 2 . 1 58 58 ASP N N 15 124.639 . . 1 . . . B . 58 ASP N . 52108 2 105 . 2 . 1 59 59 TYR H H 1 7.169 . . 1 . . . B . 59 TYR H . 52108 2 106 . 2 . 1 59 59 TYR N N 15 115.835 . . 1 . . . B . 59 TYR N . 52108 2 107 . 2 . 1 60 60 ASN H H 1 8.07 . . 1 . . . B . 60 ASN H . 52108 2 108 . 2 . 1 60 60 ASN N N 15 116.063 . . 1 . . . B . 60 ASN N . 52108 2 109 . 2 . 1 61 61 ILE H H 1 7.163 . . 1 . . . B . 61 ILE H . 52108 2 110 . 2 . 1 61 61 ILE N N 15 119.006 . . 1 . . . B . 61 ILE N . 52108 2 111 . 2 . 1 62 62 GLN H H 1 7.539 . . 1 . . . B . 62 GLN H . 52108 2 112 . 2 . 1 62 62 GLN N N 15 125.027 . . 1 . . . B . 62 GLN N . 52108 2 113 . 2 . 1 63 63 LYS H H 1 8.42 . . 1 . . . B . 63 LYS H . 52108 2 114 . 2 . 1 63 63 LYS N N 15 120.677 . . 1 . . . B . 63 LYS N . 52108 2 115 . 2 . 1 64 64 GLU H H 1 9.239 . . 1 . . . B . 64 GLU H . 52108 2 116 . 2 . 1 64 64 GLU N N 15 114.775 . . 1 . . . B . 64 GLU N . 52108 2 117 . 2 . 1 65 65 SER H H 1 7.579 . . 1 . . . B . 65 SER H . 52108 2 118 . 2 . 1 65 65 SER N N 15 115.052 . . 1 . . . B . 65 SER N . 52108 2 119 . 2 . 1 66 66 THR H H 1 8.634 . . 1 . . . B . 66 THR H . 52108 2 120 . 2 . 1 66 66 THR N N 15 117.514 . . 1 . . . B . 66 THR N . 52108 2 121 . 2 . 1 67 67 LEU H H 1 9.327 . . 1 . . . B . 67 LEU H . 52108 2 122 . 2 . 1 67 67 LEU N N 15 127.908 . . 1 . . . B . 67 LEU N . 52108 2 123 . 2 . 1 68 68 HIS H H 1 9.138 . . 1 . . . B . 68 HIS H . 52108 2 124 . 2 . 1 68 68 HIS N N 15 119.642 . . 1 . . . B . 68 HIS N . 52108 2 125 . 2 . 1 69 69 LEU H H 1 8.19 . . 1 . . . B . 69 LEU H . 52108 2 126 . 2 . 1 69 69 LEU N N 15 123.832 . . 1 . . . B . 69 LEU N . 52108 2 127 . 2 . 1 70 70 VAL H H 1 9.097 . . 1 . . . B . 70 VAL H . 52108 2 128 . 2 . 1 70 70 VAL N N 15 126.841 . . 1 . . . B . 70 VAL N . 52108 2 129 . 2 . 1 71 71 LEU H H 1 8.039 . . 1 . . . B . 71 LEU H . 52108 2 130 . 2 . 1 71 71 LEU N N 15 123.151 . . 1 . . . B . 71 LEU N . 52108 2 131 . 2 . 1 72 72 ARG H H 1 8.501 . . 1 . . . B . 72 ARG H . 52108 2 132 . 2 . 1 72 72 ARG N N 15 123.671 . . 1 . . . B . 72 ARG N . 52108 2 133 . 2 . 1 73 73 LEU H H 1 8.328 . . 1 . . . B . 73 LEU H . 52108 2 134 . 2 . 1 73 73 LEU N N 15 124.752 . . 1 . . . B . 73 LEU N . 52108 2 135 . 2 . 1 74 74 ARG H H 1 8.408 . . 1 . . . B . 74 ARG H . 52108 2 136 . 2 . 1 74 74 ARG N N 15 122.558 . . 1 . . . B . 74 ARG N . 52108 2 137 . 2 . 1 75 75 GLY H H 1 8.441 . . 1 . . . B . 75 GLY H . 52108 2 138 . 2 . 1 75 75 GLY N N 15 110.667 . . 1 . . . B . 75 GLY N . 52108 2 139 . 2 . 1 76 76 GLY H H 1 8.323 . . 1 . . . B . 76 GLY H . 52108 2 140 . 2 . 1 76 76 GLY N N 15 109.039 . . 1 . . . B . 76 GLY N . 52108 2 stop_ save_