################################### # 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 19957 _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' . . . 19957 1 4 '3D 1H-15N NOESY' . . . 19957 1 5 '2D 1H-1H NOESY' . . . 19957 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 2 2 ASN HA H 1 4.928 0.04 . 1 . . . . 2 ASN HA . 19957 1 2 . 1 1 2 2 ASN HB2 H 1 2.806 0.04 . 1 . . . . 2 ASN HB1 . 19957 1 3 . 1 1 2 2 ASN HB3 H 1 2.902 0.04 . 1 . . . . 2 ASN HB2 . 19957 1 4 . 1 1 2 2 ASN HD21 H 1 7.679 0.04 . 1 . . . . 2 ASN HD21 . 19957 1 5 . 1 1 2 2 ASN HD22 H 1 7.037 0.04 . 1 . . . . 2 ASN HD22 . 19957 1 6 . 1 1 2 2 ASN ND2 N 15 114.914 0.20 . 1 . . . . 2 ASN ND2 . 19957 1 7 . 1 1 3 3 THR H H 1 8.358 0.04 . 1 . . . . 3 THR HN . 19957 1 8 . 1 1 3 3 THR HA H 1 4.064 0.04 . 1 . . . . 3 THR HA . 19957 1 9 . 1 1 3 3 THR HB H 1 4.064 0.04 . 1 . . . . 3 THR HB . 19957 1 10 . 1 1 3 3 THR HG21 H 1 1.195 0.04 . 1 . . . . 3 THR HG21 . 19957 1 11 . 1 1 3 3 THR HG22 H 1 1.195 0.04 . 1 . . . . 3 THR HG22 . 19957 1 12 . 1 1 3 3 THR HG23 H 1 1.195 0.04 . 1 . . . . 3 THR HG23 . 19957 1 13 . 1 1 3 3 THR N N 15 117.937 0.20 . 1 . . . . 3 THR N . 19957 1 14 . 1 1 4 4 ARG H H 1 8.245 0.04 . 1 . . . . 4 ARG HN . 19957 1 15 . 1 1 4 4 ARG HA H 1 4.467 0.04 . 1 . . . . 4 ARG HA . 19957 1 16 . 1 1 4 4 ARG HB2 H 1 1.712 0.04 . 1 . . . . 4 ARG HB1 . 19957 1 17 . 1 1 4 4 ARG HB3 H 1 1.908 0.04 . 1 . . . . 4 ARG HB2 . 19957 1 18 . 1 1 4 4 ARG HG2 H 1 1.681 0.04 . 1 . . . . 4 ARG HG1 . 19957 1 19 . 1 1 4 4 ARG HG3 H 1 1.681 0.04 . 1 . . . . 4 ARG HG2 . 19957 1 20 . 1 1 4 4 ARG HD2 H 1 3.179 0.04 . 1 . . . . 4 ARG HD1 . 19957 1 21 . 1 1 4 4 ARG HD3 H 1 3.323 0.04 . 1 . . . . 4 ARG HD2 . 19957 1 22 . 1 1 4 4 ARG HE H 1 7.531 0.04 . 1 . . . . 4 ARG HE . 19957 1 23 . 1 1 4 4 ARG N N 15 127.966 0.20 . 1 . . . . 4 ARG N . 19957 1 24 . 1 1 4 4 ARG NE N 15 86.59 0.20 . 1 . . . . 4 ARG NE . 19957 1 25 . 1 1 5 5 ASN H H 1 8.375 0.04 . 1 . . . . 5 ASN HN . 19957 1 26 . 1 1 5 5 ASN HA H 1 4.964 0.04 . 1 . . . . 5 ASN HA . 19957 1 27 . 1 1 5 5 ASN HB2 H 1 2.217 0.04 . 1 . . . . 5 ASN HB1 . 19957 1 28 . 1 1 5 5 ASN HB3 H 1 2.598 0.04 . 1 . . . . 5 ASN HB2 . 19957 1 29 . 1 1 5 5 ASN HD21 H 1 7.237 0.04 . 1 . . . . 5 ASN HD21 . 19957 1 30 . 1 1 5 5 ASN HD22 H 1 6.764 0.04 . 1 . . . . 5 ASN HD22 . 19957 1 31 . 1 1 5 5 ASN N N 15 119.572 0.20 . 1 . . . . 5 ASN N . 19957 1 32 . 1 1 5 5 ASN ND2 N 15 114.403 0.20 . 1 . . . . 5 ASN ND2 . 19957 1 33 . 1 1 6 6 PHE H H 1 9.047 0.04 . 1 . . . . 6 PHE HN . 19957 1 34 . 1 1 6 6 PHE HA H 1 5.273 0.04 . 1 . . . . 6 PHE HA . 19957 1 35 . 1 1 6 6 PHE HB2 H 1 2.803 0.04 . 1 . . . . 6 PHE HB1 . 19957 1 36 . 1 1 6 6 PHE HB3 H 1 3.100 0.04 . 1 . . . . 6 PHE HB2 . 19957 1 37 . 1 1 6 6 PHE HD1 H 1 7.114 0.04 . 3 . . . . 6 PHE HD# . 19957 1 38 . 1 1 6 6 PHE HD2 H 1 7.114 0.04 . 3 . . . . 6 PHE HD# . 19957 1 39 . 1 1 6 6 PHE HE1 H 1 7.441 0.04 . 3 . . . . 6 PHE HE# . 19957 1 40 . 1 1 6 6 PHE HE2 H 1 7.441 0.04 . 3 . . . . 6 PHE HE# . 19957 1 41 . 1 1 6 6 PHE HZ H 1 6.569 0.04 . 1 . . . . 6 PHE HZ . 19957 1 42 . 1 1 6 6 PHE N N 15 123.046 0.20 . 1 . . . . 6 PHE N . 19957 1 43 . 1 1 7 7 VAL H H 1 9.429 0.04 . 1 . . . . 7 VAL HN . 19957 1 44 . 1 1 7 7 VAL HA H 1 5.105 0.04 . 1 . . . . 7 VAL HA . 19957 1 45 . 1 1 7 7 VAL HB H 1 2.031 0.04 . 1 . . . . 7 VAL HB . 19957 1 46 . 1 1 7 7 VAL HG11 H 1 1.032 0.04 . 1 . . . . 7 VAL HG11 . 19957 1 47 . 1 1 7 7 VAL HG12 H 1 1.032 0.04 . 1 . . . . 7 VAL HG12 . 19957 1 48 . 1 1 7 7 VAL HG13 H 1 1.032 0.04 . 1 . . . . 7 VAL HG13 . 19957 1 49 . 1 1 7 7 VAL HG21 H 1 1.020 0.04 . 1 . . . . 7 VAL HG21 . 19957 1 50 . 1 1 7 7 VAL HG22 H 1 1.020 0.04 . 1 . . . . 7 VAL HG22 . 19957 1 51 . 1 1 7 7 VAL HG23 H 1 1.020 0.04 . 1 . . . . 7 VAL HG23 . 19957 1 52 . 1 1 7 7 VAL N N 15 122.034 0.20 . 1 . . . . 7 VAL N . 19957 1 53 . 1 1 8 8 LEU H H 1 8.601 0.04 . 1 . . . . 8 LEU HN . 19957 1 54 . 1 1 8 8 LEU HA H 1 5.061 0.04 . 1 . . . . 8 LEU HA . 19957 1 55 . 1 1 8 8 LEU HB2 H 1 1.839 0.04 . 1 . . . . 8 LEU HB1 . 19957 1 56 . 1 1 8 8 LEU HB3 H 1 2.033 0.04 . 1 . . . . 8 LEU HB2 . 19957 1 57 . 1 1 8 8 LEU HG H 1 1.619 0.04 . 1 . . . . 8 LEU HG . 19957 1 58 . 1 1 8 8 LEU HD11 H 1 0.949 0.04 . 1 . . . . 8 LEU HD11 . 19957 1 59 . 1 1 8 8 LEU HD12 H 1 0.949 0.04 . 1 . . . . 8 LEU HD12 . 19957 1 60 . 1 1 8 8 LEU HD13 H 1 0.949 0.04 . 1 . . . . 8 LEU HD13 . 19957 1 61 . 1 1 8 8 LEU HD21 H 1 1.021 0.04 . 1 . . . . 8 LEU HD21 . 19957 1 62 . 1 1 8 8 LEU HD22 H 1 1.021 0.04 . 1 . . . . 8 LEU HD22 . 19957 1 63 . 1 1 8 8 LEU HD23 H 1 1.021 0.04 . 1 . . . . 8 LEU HD23 . 19957 1 64 . 1 1 8 8 LEU N N 15 128.886 0.20 . 1 . . . . 8 LEU N . 19957 1 65 . 1 1 9 9 ARG H H 1 8.885 0.04 . 1 . . . . 9 ARG HN . 19957 1 66 . 1 1 9 9 ARG HA H 1 5.343 0.04 . 1 . . . . 9 ARG HA . 19957 1 67 . 1 1 9 9 ARG HB2 H 1 1.699 0.04 . 1 . . . . 9 ARG HB1 . 19957 1 68 . 1 1 9 9 ARG HB3 H 1 1.833 0.04 . 1 . . . . 9 ARG HB2 . 19957 1 69 . 1 1 9 9 ARG HD2 H 1 3.021 0.04 . 1 . . . . 9 ARG HD1 . 19957 1 70 . 1 1 9 9 ARG HD3 H 1 3.170 0.04 . 1 . . . . 9 ARG HD2 . 19957 1 71 . 1 1 9 9 ARG HE H 1 8.182 0.04 . 1 . . . . 9 ARG HE . 19957 1 72 . 1 1 9 9 ARG N N 15 127.680 0.20 . 1 . . . . 9 ARG N . 19957 1 73 . 1 1 9 9 ARG NE N 15 87.76 0.20 . 1 . . . . 9 ARG NE . 19957 1 74 . 1 1 10 10 ASP H H 1 8.922 0.04 . 1 . . . . 10 ASP HN . 19957 1 75 . 1 1 10 10 ASP HA H 1 5.036 0.04 . 1 . . . . 10 ASP HA . 19957 1 76 . 1 1 10 10 ASP HB2 H 1 2.945 0.04 . 1 . . . . 10 ASP HB1 . 19957 1 77 . 1 1 10 10 ASP HB3 H 1 3.448 0.04 . 1 . . . . 10 ASP HB2 . 19957 1 78 . 1 1 10 10 ASP N N 15 127.047 0.20 . 1 . . . . 10 ASP N . 19957 1 79 . 1 1 11 11 GLU H H 1 9.212 0.04 . 1 . . . . 11 GLU HN . 19957 1 80 . 1 1 11 11 GLU HA H 1 3.956 0.04 . 1 . . . . 11 GLU HA . 19957 1 81 . 1 1 11 11 GLU HB2 H 1 2.133 0.04 . 1 . . . . 11 GLU HB1 . 19957 1 82 . 1 1 11 11 GLU HB3 H 1 2.133 0.04 . 1 . . . . 11 GLU HB2 . 19957 1 83 . 1 1 11 11 GLU HG2 H 1 2.371 0.04 . 1 . . . . 11 GLU HG1 . 19957 1 84 . 1 1 11 11 GLU HG3 H 1 2.371 0.04 . 1 . . . . 11 GLU HG2 . 19957 1 85 . 1 1 11 11 GLU N N 15 121.454 0.20 . 1 . . . . 11 GLU N . 19957 1 86 . 1 1 12 12 ASP H H 1 8.070 0.04 . 1 . . . . 12 ASP HN . 19957 1 87 . 1 1 12 12 ASP HA H 1 4.759 0.04 . 1 . . . . 12 ASP HA . 19957 1 88 . 1 1 12 12 ASP HB2 H 1 2.815 0.04 . 1 . . . . 12 ASP HB1 . 19957 1 89 . 1 1 12 12 ASP HB3 H 1 2.815 0.04 . 1 . . . . 12 ASP HB2 . 19957 1 90 . 1 1 12 12 ASP N N 15 118.948 0.20 . 1 . . . . 12 ASP N . 19957 1 91 . 1 1 13 13 GLY H H 1 8.071 0.04 . 1 . . . . 13 GLY HN . 19957 1 92 . 1 1 13 13 GLY HA2 H 1 3.447 0.04 . 1 . . . . 13 GLY HA1 . 19957 1 93 . 1 1 13 13 GLY HA3 H 1 4.314 0.04 . 1 . . . . 13 GLY HA2 . 19957 1 94 . 1 1 13 13 GLY N N 15 109.962 0.20 . 1 . . . . 13 GLY N . 19957 1 95 . 1 1 14 14 ASN H H 1 8.416 0.04 . 1 . . . . 14 ASN HN . 19957 1 96 . 1 1 14 14 ASN HA H 1 4.647 0.04 . 1 . . . . 14 ASN HA . 19957 1 97 . 1 1 14 14 ASN HB2 H 1 2.673 0.04 . 1 . . . . 14 ASN HB1 . 19957 1 98 . 1 1 14 14 ASN HB3 H 1 3.187 0.04 . 1 . . . . 14 ASN HB2 . 19957 1 99 . 1 1 14 14 ASN HD22 H 1 7.192 0.04 . 1 . . . . 14 ASN HD22 . 19957 1 100 . 1 1 14 14 ASN N N 15 121.547 0.20 . 1 . . . . 14 ASN N . 19957 1 101 . 1 1 14 14 ASN ND2 N 15 119.188 0.20 . 1 . . . . 14 ASN ND2 . 19957 1 102 . 1 1 15 15 GLU H H 1 8.566 0.04 . 1 . . . . 15 GLU HN . 19957 1 103 . 1 1 15 15 GLU HA H 1 5.381 0.04 . 1 . . . . 15 GLU HA . 19957 1 104 . 1 1 15 15 GLU HB2 H 1 1.910 0.04 . 1 . . . . 15 GLU HB1 . 19957 1 105 . 1 1 15 15 GLU HB3 H 1 1.910 0.04 . 1 . . . . 15 GLU HB2 . 19957 1 106 . 1 1 15 15 GLU HG2 H 1 2.564 0.04 . 1 . . . . 15 GLU HG1 . 19957 1 107 . 1 1 15 15 GLU HG3 H 1 2.564 0.04 . 1 . . . . 15 GLU HG2 . 19957 1 108 . 1 1 15 15 GLU N N 15 123.920 0.20 . 1 . . . . 15 GLU N . 19957 1 109 . 1 1 16 16 HIS H H 1 8.966 0.04 . 1 . . . . 16 HIS HN . 19957 1 110 . 1 1 16 16 HIS HA H 1 4.886 0.04 . 1 . . . . 16 HIS HA . 19957 1 111 . 1 1 16 16 HIS HB2 H 1 3.060 0.04 . 1 . . . . 16 HIS HB1 . 19957 1 112 . 1 1 16 16 HIS HB3 H 1 3.466 0.04 . 1 . . . . 16 HIS HB2 . 19957 1 113 . 1 1 16 16 HIS HD2 H 1 6.985 0.04 . 1 . . . . 16 HIS HD2 . 19957 1 114 . 1 1 16 16 HIS HE1 H 1 8.507 0.04 . 1 . . . . 16 HIS HE1 . 19957 1 115 . 1 1 16 16 HIS N N 15 121.736 0.20 . 1 . . . . 16 HIS N . 19957 1 116 . 1 1 17 17 GLY H H 1 8.418 0.04 . 1 . . . . 17 GLY HN . 19957 1 117 . 1 1 17 17 GLY HA2 H 1 3.847 0.04 . 1 . . . . 17 GLY HA1 . 19957 1 118 . 1 1 17 17 GLY HA3 H 1 4.090 0.04 . 1 . . . . 17 GLY HA2 . 19957 1 119 . 1 1 17 17 GLY N N 15 111.919 0.20 . 1 . . . . 17 GLY N . 19957 1 120 . 1 1 18 18 VAL H H 1 7.560 0.04 . 1 . . . . 18 VAL HN . 19957 1 121 . 1 1 18 18 VAL HA H 1 4.819 0.04 . 1 . . . . 18 VAL HA . 19957 1 122 . 1 1 18 18 VAL HB H 1 1.830 0.04 . 1 . . . . 18 VAL HB . 19957 1 123 . 1 1 18 18 VAL HG11 H 1 0.810 0.04 . 1 . . . . 18 VAL HG11 . 19957 1 124 . 1 1 18 18 VAL HG12 H 1 0.810 0.04 . 1 . . . . 18 VAL HG12 . 19957 1 125 . 1 1 18 18 VAL HG13 H 1 0.810 0.04 . 1 . . . . 18 VAL HG13 . 19957 1 126 . 1 1 18 18 VAL HG21 H 1 0.895 0.04 . 1 . . . . 18 VAL HG21 . 19957 1 127 . 1 1 18 18 VAL HG22 H 1 0.895 0.04 . 1 . . . . 18 VAL HG22 . 19957 1 128 . 1 1 18 18 VAL HG23 H 1 0.895 0.04 . 1 . . . . 18 VAL HG23 . 19957 1 129 . 1 1 18 18 VAL N N 15 119.397 0.20 . 1 . . . . 18 VAL N . 19957 1 130 . 1 1 19 19 PHE H H 1 9.550 0.04 . 1 . . . . 19 PHE HN . 19957 1 131 . 1 1 19 19 PHE HA H 1 4.954 0.04 . 1 . . . . 19 PHE HA . 19957 1 132 . 1 1 19 19 PHE HB2 H 1 2.623 0.04 . 1 . . . . 19 PHE HB1 . 19957 1 133 . 1 1 19 19 PHE HB3 H 1 3.100 0.04 . 1 . . . . 19 PHE HB2 . 19957 1 134 . 1 1 19 19 PHE HD1 H 1 7.202 0.04 . 3 . . . . 19 PHE HD# . 19957 1 135 . 1 1 19 19 PHE HD2 H 1 7.202 0.04 . 3 . . . . 19 PHE HD# . 19957 1 136 . 1 1 19 19 PHE HE1 H 1 7.163 0.04 . 3 . . . . 19 PHE HE# . 19957 1 137 . 1 1 19 19 PHE HE2 H 1 7.163 0.04 . 3 . . . . 19 PHE HE# . 19957 1 138 . 1 1 19 19 PHE N N 15 128.079 0.20 . 1 . . . . 19 PHE N . 19957 1 139 . 1 1 20 20 THR H H 1 8.779 0.04 . 1 . . . . 20 THR HN . 19957 1 140 . 1 1 20 20 THR HA H 1 5.785 0.04 . 1 . . . . 20 THR HA . 19957 1 141 . 1 1 20 20 THR HB H 1 4.300 0.04 . 1 . . . . 20 THR HB . 19957 1 142 . 1 1 20 20 THR HG21 H 1 1.247 0.04 . 1 . . . . 20 THR HG21 . 19957 1 143 . 1 1 20 20 THR HG22 H 1 1.247 0.04 . 1 . . . . 20 THR HG22 . 19957 1 144 . 1 1 20 20 THR HG23 H 1 1.247 0.04 . 1 . . . . 20 THR HG23 . 19957 1 145 . 1 1 20 20 THR N N 15 114.987 0.20 . 1 . . . . 20 THR N . 19957 1 146 . 1 1 21 21 GLY H H 1 8.550 0.04 . 1 . . . . 21 GLY HN . 19957 1 147 . 1 1 21 21 GLY HA2 H 1 4.092 0.04 . 1 . . . . 21 GLY HA1 . 19957 1 148 . 1 1 21 21 GLY HA3 H 1 3.861 0.04 . 1 . . . . 21 GLY HA2 . 19957 1 149 . 1 1 21 21 GLY N N 15 107.270 0.20 . 1 . . . . 21 GLY N . 19957 1 150 . 1 1 22 22 LYS H H 1 8.958 0.04 . 1 . . . . 22 LYS HN . 19957 1 151 . 1 1 22 22 LYS HA H 1 4.466 0.04 . 1 . . . . 22 LYS HA . 19957 1 152 . 1 1 22 22 LYS HB2 H 1 2.185 0.04 . 1 . . . . 22 LYS HB1 . 19957 1 153 . 1 1 22 22 LYS HB3 H 1 2.185 0.04 . 1 . . . . 22 LYS HB2 . 19957 1 154 . 1 1 22 22 LYS HG2 H 1 1.636 0.04 . 1 . . . . 22 LYS HG1 . 19957 1 155 . 1 1 22 22 LYS HD2 H 1 2.025 0.04 . 1 . . . . 22 LYS HD1 . 19957 1 156 . 1 1 22 22 LYS HD3 H 1 2.025 0.04 . 1 . . . . 22 LYS HD2 . 19957 1 157 . 1 1 22 22 LYS HE2 H 1 3.308 0.04 . 1 . . . . 22 LYS HE1 . 19957 1 158 . 1 1 23 23 GLN H H 1 7.588 0.04 . 1 . . . . 23 GLN HN . 19957 1 159 . 1 1 23 23 GLN HA H 1 4.804 0.04 . 1 . . . . 23 GLN HA . 19957 1 160 . 1 1 23 23 GLN HB2 H 1 2.700 0.04 . 1 . . . . 23 GLN HB1 . 19957 1 161 . 1 1 23 23 GLN HB3 H 1 2.700 0.04 . 1 . . . . 23 GLN HB2 . 19957 1 162 . 1 1 23 23 GLN HG2 H 1 2.474 0.04 . 1 . . . . 23 GLN HG1 . 19957 1 163 . 1 1 23 23 GLN HG3 H 1 2.474 0.04 . 1 . . . . 23 GLN HG2 . 19957 1 164 . 1 1 23 23 GLN HE21 H 1 7.736 0.04 . 1 . . . . 23 GLN HE21 . 19957 1 165 . 1 1 23 23 GLN HE22 H 1 6.955 0.04 . 1 . . . . 23 GLN HE22 . 19957 1 166 . 1 1 23 23 GLN N N 15 116.057 0.20 . 1 . . . . 23 GLN N . 19957 1 167 . 1 1 23 23 GLN NE2 N 15 112.607 0.20 . 1 . . . . 23 GLN NE2 . 19957 1 168 . 1 1 24 24 PRO HA H 1 2.882 0.04 . 1 . . . . 24 PRO HA . 19957 1 169 . 1 1 24 24 PRO HB2 H 1 0.134 0.04 . 1 . . . . 24 PRO HB1 . 19957 1 170 . 1 1 24 24 PRO HD2 H 1 4.468 0.04 . 1 . . . . 24 PRO HD1 . 19957 1 171 . 1 1 24 24 PRO HD3 H 1 4.003 0.04 . 1 . . . . 24 PRO HD2 . 19957 1 172 . 1 1 25 25 ARG H H 1 8.357 0.04 . 1 . . . . 25 ARG HN . 19957 1 173 . 1 1 25 25 ARG HA H 1 3.413 0.04 . 1 . . . . 25 ARG HA . 19957 1 174 . 1 1 25 25 ARG HE H 1 7.322 0.04 . 1 . . . . 25 ARG HE . 19957 1 175 . 1 1 25 25 ARG HH11 H 1 10.070 0.04 . 2 . . . . 25 ARG HH11 . 19957 1 176 . 1 1 25 25 ARG HH12 H 1 10.070 0.04 . 2 . . . . 25 ARG HH12 . 19957 1 177 . 1 1 25 25 ARG HH21 H 1 10.099 0.04 . 2 . . . . 25 ARG HH21 . 19957 1 178 . 1 1 25 25 ARG HH22 H 1 10.099 0.04 . 2 . . . . 25 ARG HH22 . 19957 1 179 . 1 1 25 25 ARG N N 15 117.937 0.20 . 1 . . . . 25 ARG N . 19957 1 180 . 1 1 25 25 ARG NE N 15 85.88 0.20 . 1 . . . . 25 ARG NE . 19957 1 181 . 1 1 26 26 GLN H H 1 7.091 0.04 . 1 . . . . 26 GLN HN . 19957 1 182 . 1 1 26 26 GLN HA H 1 3.869 0.04 . 1 . . . . 26 GLN HA . 19957 1 183 . 1 1 26 26 GLN HB2 H 1 2.159 0.04 . 1 . . . . 26 GLN HB1 . 19957 1 184 . 1 1 26 26 GLN HB3 H 1 2.250 0.04 . 1 . . . . 26 GLN HB2 . 19957 1 185 . 1 1 26 26 GLN HG2 H 1 2.478 0.04 . 1 . . . . 26 GLN HG1 . 19957 1 186 . 1 1 26 26 GLN HG3 H 1 2.478 0.04 . 1 . . . . 26 GLN HG2 . 19957 1 187 . 1 1 26 26 GLN HE21 H 1 7.730 0.04 . 1 . . . . 26 GLN HE21 . 19957 1 188 . 1 1 26 26 GLN HE22 H 1 7.152 0.04 . 1 . . . . 26 GLN HE22 . 19957 1 189 . 1 1 26 26 GLN N N 15 117.027 0.20 . 1 . . . . 26 GLN N . 19957 1 190 . 1 1 26 26 GLN NE2 N 15 113.894 0.20 . 1 . . . . 26 GLN NE2 . 19957 1 191 . 1 1 27 27 ALA H H 1 6.568 0.04 . 1 . . . . 27 ALA HN . 19957 1 192 . 1 1 27 27 ALA HA H 1 3.992 0.04 . 1 . . . . 27 ALA HA . 19957 1 193 . 1 1 27 27 ALA HB1 H 1 0.870 0.04 . 1 . . . . 27 ALA HB1 . 19957 1 194 . 1 1 27 27 ALA HB2 H 1 0.870 0.04 . 1 . . . . 27 ALA HB2 . 19957 1 195 . 1 1 27 27 ALA HB3 H 1 0.870 0.04 . 1 . . . . 27 ALA HB3 . 19957 1 196 . 1 1 27 27 ALA N N 15 122.097 0.20 . 1 . . . . 27 ALA N . 19957 1 197 . 1 1 28 28 ALA H H 1 7.825 0.04 . 1 . . . . 28 ALA HN . 19957 1 198 . 1 1 28 28 ALA HA H 1 3.194 0.04 . 1 . . . . 28 ALA HA . 19957 1 199 . 1 1 28 28 ALA HB1 H 1 0.135 0.04 . 1 . . . . 28 ALA HB1 . 19957 1 200 . 1 1 28 28 ALA HB2 H 1 0.135 0.04 . 1 . . . . 28 ALA HB2 . 19957 1 201 . 1 1 28 28 ALA HB3 H 1 0.135 0.04 . 1 . . . . 28 ALA HB3 . 19957 1 202 . 1 1 28 28 ALA N N 15 122.187 0.20 . 1 . . . . 28 ALA N . 19957 1 203 . 1 1 29 29 LEU H H 1 7.806 0.04 . 1 . . . . 29 LEU HN . 19957 1 204 . 1 1 29 29 LEU HA H 1 3.502 0.04 . 1 . . . . 29 LEU HA . 19957 1 205 . 1 1 29 29 LEU HB2 H 1 1.679 0.04 . 1 . . . . 29 LEU HB1 . 19957 1 206 . 1 1 29 29 LEU HB3 H 1 1.486 0.04 . 1 . . . . 29 LEU HB2 . 19957 1 207 . 1 1 29 29 LEU HD11 H 1 0.784 0.04 . 1 . . . . 29 LEU HD11 . 19957 1 208 . 1 1 29 29 LEU HD12 H 1 0.784 0.04 . 1 . . . . 29 LEU HD12 . 19957 1 209 . 1 1 29 29 LEU HD13 H 1 0.784 0.04 . 1 . . . . 29 LEU HD13 . 19957 1 210 . 1 1 29 29 LEU HD21 H 1 0.565 0.04 . 1 . . . . 29 LEU HD21 . 19957 1 211 . 1 1 29 29 LEU HD22 H 1 0.565 0.04 . 1 . . . . 29 LEU HD22 . 19957 1 212 . 1 1 29 29 LEU HD23 H 1 0.565 0.04 . 1 . . . . 29 LEU HD23 . 19957 1 213 . 1 1 29 29 LEU N N 15 120.000 0.20 . 1 . . . . 29 LEU N . 19957 1 214 . 1 1 30 30 LYS H H 1 6.659 0.04 . 1 . . . . 30 LYS HN . 19957 1 215 . 1 1 30 30 LYS HA H 1 4.143 0.04 . 1 . . . . 30 LYS HA . 19957 1 216 . 1 1 30 30 LYS HB2 H 1 2.119 0.04 . 1 . . . . 30 LYS HB1 . 19957 1 217 . 1 1 30 30 LYS HB3 H 1 2.119 0.04 . 1 . . . . 30 LYS HB2 . 19957 1 218 . 1 1 30 30 LYS HG2 H 1 1.895 0.04 . 1 . . . . 30 LYS HG1 . 19957 1 219 . 1 1 30 30 LYS HG3 H 1 1.827 0.04 . 1 . . . . 30 LYS HG2 . 19957 1 220 . 1 1 30 30 LYS HD2 H 1 1.667 0.04 . 1 . . . . 30 LYS HD1 . 19957 1 221 . 1 1 30 30 LYS HD3 H 1 1.667 0.04 . 1 . . . . 30 LYS HD2 . 19957 1 222 . 1 1 30 30 LYS HE2 H 1 3.184 0.04 . 1 . . . . 30 LYS HE1 . 19957 1 223 . 1 1 30 30 LYS HE3 H 1 3.184 0.04 . 1 . . . . 30 LYS HE2 . 19957 1 224 . 1 1 30 30 LYS N N 15 118.739 0.20 . 1 . . . . 30 LYS N . 19957 1 225 . 1 1 31 31 ALA H H 1 7.266 0.04 . 1 . . . . 31 ALA HN . 19957 1 226 . 1 1 31 31 ALA HA H 1 3.402 0.04 . 1 . . . . 31 ALA HA . 19957 1 227 . 1 1 31 31 ALA HB1 H 1 0.559 0.04 . 1 . . . . 31 ALA HB1 . 19957 1 228 . 1 1 31 31 ALA HB2 H 1 0.559 0.04 . 1 . . . . 31 ALA HB2 . 19957 1 229 . 1 1 31 31 ALA HB3 H 1 0.559 0.04 . 1 . . . . 31 ALA HB3 . 19957 1 230 . 1 1 31 31 ALA N N 15 124.461 0.20 . 1 . . . . 31 ALA N . 19957 1 231 . 1 1 32 32 ALA H H 1 8.814 0.04 . 1 . . . . 32 ALA HN . 19957 1 232 . 1 1 32 32 ALA HA H 1 3.840 0.04 . 1 . . . . 32 ALA HA . 19957 1 233 . 1 1 32 32 ALA HB1 H 1 1.323 0.04 . 1 . . . . 32 ALA HB1 . 19957 1 234 . 1 1 32 32 ALA HB2 H 1 1.323 0.04 . 1 . . . . 32 ALA HB2 . 19957 1 235 . 1 1 32 32 ALA HB3 H 1 1.323 0.04 . 1 . . . . 32 ALA HB3 . 19957 1 236 . 1 1 32 32 ALA N N 15 124.503 0.20 . 1 . . . . 32 ALA N . 19957 1 237 . 1 1 33 33 ASN H H 1 7.534 0.04 . 1 . . . . 33 ASN HN . 19957 1 238 . 1 1 33 33 ASN HA H 1 4.446 0.04 . 1 . . . . 33 ASN HA . 19957 1 239 . 1 1 33 33 ASN HB2 H 1 2.900 0.04 . 1 . . . . 33 ASN HB1 . 19957 1 240 . 1 1 33 33 ASN HB3 H 1 2.900 0.04 . 1 . . . . 33 ASN HB2 . 19957 1 241 . 1 1 33 33 ASN HD21 H 1 7.728 0.04 . 1 . . . . 33 ASN HD21 . 19957 1 242 . 1 1 33 33 ASN HD22 H 1 7.157 0.04 . 1 . . . . 33 ASN HD22 . 19957 1 243 . 1 1 33 33 ASN N N 15 115.977 0.20 . 1 . . . . 33 ASN N . 19957 1 244 . 1 1 34 34 ARG H H 1 7.324 0.04 . 1 . . . . 34 ARG HN . 19957 1 245 . 1 1 34 34 ARG HA H 1 4.524 0.04 . 1 . . . . 34 ARG HA . 19957 1 246 . 1 1 34 34 ARG HB2 H 1 1.912 0.04 . 1 . . . . 34 ARG HB1 . 19957 1 247 . 1 1 34 34 ARG HB3 H 1 2.268 0.04 . 1 . . . . 34 ARG HB2 . 19957 1 248 . 1 1 34 34 ARG HG2 H 1 1.933 0.04 . 1 . . . . 34 ARG HG1 . 19957 1 249 . 1 1 34 34 ARG HG3 H 1 1.863 0.04 . 1 . . . . 34 ARG HG2 . 19957 1 250 . 1 1 34 34 ARG HD2 H 1 3.381 0.04 . 1 . . . . 34 ARG HD1 . 19957 1 251 . 1 1 34 34 ARG HD3 H 1 3.381 0.04 . 1 . . . . 34 ARG HD2 . 19957 1 252 . 1 1 34 34 ARG HE H 1 7.526 0.04 . 1 . . . . 34 ARG HE . 19957 1 253 . 1 1 34 34 ARG N N 15 117.057 0.20 . 1 . . . . 34 ARG N . 19957 1 254 . 1 1 34 34 ARG NE N 15 86.59 0.20 . 1 . . . . 34 ARG NE . 19957 1 255 . 1 1 35 35 GLY H H 1 7.355 0.04 . 1 . . . . 35 GLY HN . 19957 1 256 . 1 1 35 35 GLY HA2 H 1 4.118 0.04 . 1 . . . . 35 GLY HA1 . 19957 1 257 . 1 1 35 35 GLY HA3 H 1 4.524 0.04 . 1 . . . . 35 GLY HA2 . 19957 1 258 . 1 1 35 35 GLY N N 15 109.987 0.20 . 1 . . . . 35 GLY N . 19957 1 259 . 1 1 36 36 SER H H 1 8.762 0.04 . 1 . . . . 36 SER HN . 19957 1 260 . 1 1 36 36 SER HA H 1 4.825 0.04 . 1 . . . . 36 SER HA . 19957 1 261 . 1 1 36 36 SER HB2 H 1 4.007 0.04 . 1 . . . . 36 SER HB1 . 19957 1 262 . 1 1 36 36 SER HB3 H 1 4.007 0.04 . 1 . . . . 36 SER HB2 . 19957 1 263 . 1 1 36 36 SER N N 15 114.987 0.20 . 1 . . . . 36 SER N . 19957 1 264 . 1 1 37 37 GLY H H 1 8.952 0.04 . 1 . . . . 37 GLY HN . 19957 1 265 . 1 1 37 37 GLY HA2 H 1 4.315 0.04 . 1 . . . . 37 GLY HA1 . 19957 1 266 . 1 1 37 37 GLY HA3 H 1 4.315 0.04 . 1 . . . . 37 GLY HA2 . 19957 1 267 . 1 1 37 37 GLY N N 15 113.499 0.20 . 1 . . . . 37 GLY N . 19957 1 268 . 1 1 38 38 THR H H 1 7.813 0.04 . 1 . . . . 38 THR HN . 19957 1 269 . 1 1 38 38 THR HA H 1 5.137 0.04 . 1 . . . . 38 THR HA . 19957 1 270 . 1 1 38 38 THR HB H 1 4.645 0.04 . 1 . . . . 38 THR HB . 19957 1 271 . 1 1 38 38 THR HG21 H 1 1.385 0.04 . 1 . . . . 38 THR HG21 . 19957 1 272 . 1 1 38 38 THR HG22 H 1 1.385 0.04 . 1 . . . . 38 THR HG22 . 19957 1 273 . 1 1 38 38 THR HG23 H 1 1.385 0.04 . 1 . . . . 38 THR HG23 . 19957 1 274 . 1 1 38 38 THR N N 15 116.086 0.20 . 1 . . . . 38 THR N . 19957 1 275 . 1 1 39 39 LYS H H 1 8.919 0.04 . 1 . . . . 39 LYS HN . 19957 1 276 . 1 1 39 39 LYS HA H 1 2.109 0.04 . 1 . . . . 39 LYS HA . 19957 1 277 . 1 1 39 39 LYS HB2 H 1 1.410 0.04 . 1 . . . . 39 LYS HB1 . 19957 1 278 . 1 1 39 39 LYS HB3 H 1 1.465 0.04 . 1 . . . . 39 LYS HB2 . 19957 1 279 . 1 1 39 39 LYS HG2 H 1 0.555 0.04 . 1 . . . . 39 LYS HG1 . 19957 1 280 . 1 1 39 39 LYS HG3 H 1 0.879 0.04 . 1 . . . . 39 LYS HG2 . 19957 1 281 . 1 1 40 40 ALA H H 1 7.836 0.04 . 1 . . . . 40 ALA HN . 19957 1 282 . 1 1 40 40 ALA HA H 1 4.002 0.04 . 1 . . . . 40 ALA HA . 19957 1 283 . 1 1 40 40 ALA HB1 H 1 1.285 0.04 . 1 . . . . 40 ALA HB1 . 19957 1 284 . 1 1 40 40 ALA HB2 H 1 1.285 0.04 . 1 . . . . 40 ALA HB2 . 19957 1 285 . 1 1 40 40 ALA HB3 H 1 1.285 0.04 . 1 . . . . 40 ALA HB3 . 19957 1 286 . 1 1 40 40 ALA N N 15 117.998 0.20 . 1 . . . . 40 ALA N . 19957 1 287 . 1 1 41 41 ASN H H 1 7.461 0.04 . 1 . . . . 41 ASN HN . 19957 1 288 . 1 1 41 41 ASN HA H 1 5.070 0.04 . 1 . . . . 41 ASN HA . 19957 1 289 . 1 1 41 41 ASN HB2 H 1 2.471 0.04 . 1 . . . . 41 ASN HB1 . 19957 1 290 . 1 1 41 41 ASN HB3 H 1 2.808 0.04 . 1 . . . . 41 ASN HB2 . 19957 1 291 . 1 1 41 41 ASN HD21 H 1 7.583 0.04 . 1 . . . . 41 ASN HD21 . 19957 1 292 . 1 1 41 41 ASN HD22 H 1 6.814 0.04 . 1 . . . . 41 ASN HD22 . 19957 1 293 . 1 1 41 41 ASN N N 15 117.136 0.20 . 1 . . . . 41 ASN N . 19957 1 294 . 1 1 41 41 ASN ND2 N 15 114.580 0.20 . 1 . . . . 41 ASN ND2 . 19957 1 295 . 1 1 42 42 PRO HA H 1 4.820 0.04 . 1 . . . . 42 PRO HA . 19957 1 296 . 1 1 42 42 PRO HB2 H 1 2.266 0.04 . 1 . . . . 42 PRO HB1 . 19957 1 297 . 1 1 42 42 PRO HG2 H 1 1.827 0.04 . 1 . . . . 42 PRO HG1 . 19957 1 298 . 1 1 42 42 PRO HD2 H 1 3.556 0.04 . 1 . . . . 42 PRO HD1 . 19957 1 299 . 1 1 42 42 PRO HD3 H 1 3.241 0.04 . 1 . . . . 42 PRO HD2 . 19957 1 300 . 1 1 43 43 ASP H H 1 9.415 0.04 . 1 . . . . 43 ASP HN . 19957 1 301 . 1 1 43 43 ASP HA H 1 4.919 0.04 . 1 . . . . 43 ASP HA . 19957 1 302 . 1 1 43 43 ASP HB2 H 1 2.699 0.04 . 1 . . . . 43 ASP HB1 . 19957 1 303 . 1 1 43 43 ASP HB3 H 1 2.699 0.04 . 1 . . . . 43 ASP HB2 . 19957 1 304 . 1 1 43 43 ASP N N 15 122.572 0.20 . 1 . . . . 43 ASP N . 19957 1 305 . 1 1 44 44 ILE H H 1 8.544 0.04 . 1 . . . . 44 ILE HN . 19957 1 306 . 1 1 44 44 ILE HA H 1 5.114 0.04 . 1 . . . . 44 ILE HA . 19957 1 307 . 1 1 44 44 ILE HB H 1 2.005 0.04 . 1 . . . . 44 ILE HB . 19957 1 308 . 1 1 44 44 ILE HG12 H 1 1.470 0.04 . 1 . . . . 44 ILE HG11 . 19957 1 309 . 1 1 44 44 ILE HG13 H 1 1.558 0.04 . 1 . . . . 44 ILE HG12 . 19957 1 310 . 1 1 44 44 ILE HG21 H 1 0.830 0.04 . 1 . . . . 44 ILE HG21 . 19957 1 311 . 1 1 44 44 ILE HG22 H 1 0.830 0.04 . 1 . . . . 44 ILE HG22 . 19957 1 312 . 1 1 44 44 ILE HG23 H 1 0.830 0.04 . 1 . . . . 44 ILE HG23 . 19957 1 313 . 1 1 44 44 ILE HD11 H 1 0.859 0.04 . 1 . . . . 44 ILE HD11 . 19957 1 314 . 1 1 44 44 ILE HD12 H 1 0.859 0.04 . 1 . . . . 44 ILE HD12 . 19957 1 315 . 1 1 44 44 ILE HD13 H 1 0.859 0.04 . 1 . . . . 44 ILE HD13 . 19957 1 316 . 1 1 44 44 ILE N N 15 123.424 0.20 . 1 . . . . 44 ILE N . 19957 1 317 . 1 1 45 45 ILE H H 1 9.336 0.04 . 1 . . . . 45 ILE HN . 19957 1 318 . 1 1 45 45 ILE HA H 1 5.109 0.04 . 1 . . . . 45 ILE HA . 19957 1 319 . 1 1 45 45 ILE HG12 H 1 1.323 0.04 . 1 . . . . 45 ILE HG11 . 19957 1 320 . 1 1 45 45 ILE HG13 H 1 1.685 0.04 . 1 . . . . 45 ILE HG12 . 19957 1 321 . 1 1 45 45 ILE HG21 H 1 0.798 0.04 . 1 . . . . 45 ILE HG21 . 19957 1 322 . 1 1 45 45 ILE HG22 H 1 0.798 0.04 . 1 . . . . 45 ILE HG22 . 19957 1 323 . 1 1 45 45 ILE HG23 H 1 0.798 0.04 . 1 . . . . 45 ILE HG23 . 19957 1 324 . 1 1 45 45 ILE HD11 H 1 0.533 0.04 . 1 . . . . 45 ILE HD11 . 19957 1 325 . 1 1 45 45 ILE HD12 H 1 0.533 0.04 . 1 . . . . 45 ILE HD12 . 19957 1 326 . 1 1 45 45 ILE HD13 H 1 0.533 0.04 . 1 . . . . 45 ILE HD13 . 19957 1 327 . 1 1 45 45 ILE N N 15 125.768 0.20 . 1 . . . . 45 ILE N . 19957 1 328 . 1 1 46 46 ARG H H 1 8.394 0.04 . 1 . . . . 46 ARG HN . 19957 1 329 . 1 1 46 46 ARG HA H 1 5.003 0.04 . 1 . . . . 46 ARG HA . 19957 1 330 . 1 1 46 46 ARG HB2 H 1 1.674 0.04 . 1 . . . . 46 ARG HB1 . 19957 1 331 . 1 1 46 46 ARG HB3 H 1 2.439 0.04 . 1 . . . . 46 ARG HB2 . 19957 1 332 . 1 1 46 46 ARG HG2 H 1 1.401 0.04 . 1 . . . . 46 ARG HG1 . 19957 1 333 . 1 1 46 46 ARG HG3 H 1 1.495 0.04 . 1 . . . . 46 ARG HG2 . 19957 1 334 . 1 1 46 46 ARG HD2 H 1 3.078 0.04 . 1 . . . . 46 ARG HD1 . 19957 1 335 . 1 1 46 46 ARG HD3 H 1 3.078 0.04 . 1 . . . . 46 ARG HD2 . 19957 1 336 . 1 1 46 46 ARG HE H 1 8.181 0.04 . 1 . . . . 46 ARG HE . 19957 1 337 . 1 1 46 46 ARG N N 15 125.355 0.20 . 1 . . . . 46 ARG N . 19957 1 338 . 1 1 46 46 ARG NE N 15 87.76 0.20 . 1 . . . . 46 ARG NE . 19957 1 339 . 1 1 47 47 LEU H H 1 9.313 0.04 . 1 . . . . 47 LEU HN . 19957 1 340 . 1 1 47 47 LEU HA H 1 5.409 0.04 . 1 . . . . 47 LEU HA . 19957 1 341 . 1 1 47 47 LEU HB2 H 1 1.580 0.04 . 1 . . . . 47 LEU HB1 . 19957 1 342 . 1 1 47 47 LEU HB3 H 1 1.876 0.04 . 1 . . . . 47 LEU HB2 . 19957 1 343 . 1 1 47 47 LEU HG H 1 0.507 0.04 . 1 . . . . 47 LEU HG . 19957 1 344 . 1 1 47 47 LEU HD11 H 1 0.616 0.04 . 1 . . . . 47 LEU HD11 . 19957 1 345 . 1 1 47 47 LEU HD12 H 1 0.616 0.04 . 1 . . . . 47 LEU HD12 . 19957 1 346 . 1 1 47 47 LEU HD13 H 1 0.616 0.04 . 1 . . . . 47 LEU HD13 . 19957 1 347 . 1 1 47 47 LEU HD21 H 1 0.510 0.04 . 1 . . . . 47 LEU HD21 . 19957 1 348 . 1 1 47 47 LEU HD22 H 1 0.510 0.04 . 1 . . . . 47 LEU HD22 . 19957 1 349 . 1 1 47 47 LEU HD23 H 1 0.510 0.04 . 1 . . . . 47 LEU HD23 . 19957 1 350 . 1 1 47 47 LEU N N 15 125.101 0.20 . 1 . . . . 47 LEU N . 19957 1 351 . 1 1 48 48 ARG H H 1 9.739 0.04 . 1 . . . . 48 ARG HN . 19957 1 352 . 1 1 48 48 ARG HA H 1 5.446 0.04 . 1 . . . . 48 ARG HA . 19957 1 353 . 1 1 48 48 ARG HB2 H 1 1.491 0.04 . 1 . . . . 48 ARG HB1 . 19957 1 354 . 1 1 48 48 ARG HB3 H 1 2.044 0.04 . 1 . . . . 48 ARG HB2 . 19957 1 355 . 1 1 48 48 ARG HG2 H 1 1.614 0.04 . 1 . . . . 48 ARG HG1 . 19957 1 356 . 1 1 48 48 ARG HG3 H 1 1.727 0.04 . 1 . . . . 48 ARG HG2 . 19957 1 357 . 1 1 48 48 ARG HD2 H 1 2.709 0.04 . 1 . . . . 48 ARG HD1 . 19957 1 358 . 1 1 48 48 ARG HD3 H 1 3.324 0.04 . 1 . . . . 48 ARG HD2 . 19957 1 359 . 1 1 48 48 ARG HE H 1 7.954 0.04 . 1 . . . . 48 ARG HE . 19957 1 360 . 1 1 48 48 ARG N N 15 128.858 0.20 . 1 . . . . 48 ARG N . 19957 1 361 . 1 1 48 48 ARG NE N 15 87.76 0.20 . 1 . . . . 48 ARG NE . 19957 1 362 . 1 1 49 49 GLU H H 1 9.107 0.04 . 1 . . . . 49 GLU HN . 19957 1 363 . 1 1 49 49 GLU HA H 1 4.292 0.04 . 1 . . . . 49 GLU HA . 19957 1 364 . 1 1 49 49 GLU HB2 H 1 1.982 0.04 . 1 . . . . 49 GLU HB1 . 19957 1 365 . 1 1 49 49 GLU HB3 H 1 1.943 0.04 . 1 . . . . 49 GLU HB2 . 19957 1 366 . 1 1 49 49 GLU HG2 H 1 2.343 0.04 . 1 . . . . 49 GLU HG1 . 19957 1 367 . 1 1 49 49 GLU HG3 H 1 2.343 0.04 . 1 . . . . 49 GLU HG2 . 19957 1 368 . 1 1 50 50 ARG H H 1 8.666 0.04 . 1 . . . . 50 ARG HN . 19957 1 369 . 1 1 50 50 ARG HA H 1 4.023 0.04 . 1 . . . . 50 ARG HA . 19957 1 370 . 1 1 50 50 ARG HB2 H 1 1.613 0.04 . 1 . . . . 50 ARG HB1 . 19957 1 371 . 1 1 50 50 ARG HB3 H 1 1.736 0.04 . 1 . . . . 50 ARG HB2 . 19957 1 372 . 1 1 50 50 ARG HG2 H 1 1.915 0.04 . 1 . . . . 50 ARG HG1 . 19957 1 373 . 1 1 50 50 ARG HG3 H 1 1.915 0.04 . 1 . . . . 50 ARG HG2 . 19957 1 374 . 1 1 50 50 ARG HD2 H 1 3.182 0.04 . 1 . . . . 50 ARG HD1 . 19957 1 375 . 1 1 50 50 ARG HD3 H 1 3.182 0.04 . 1 . . . . 50 ARG HD2 . 19957 1 376 . 1 1 50 50 ARG HE H 1 7.572 0.04 . 1 . . . . 50 ARG HE . 19957 1 377 . 1 1 50 50 ARG N N 15 133.146 0.20 . 1 . . . . 50 ARG N . 19957 1 378 . 1 1 51 51 GLY H H 1 8.092 0.04 . 1 . . . . 51 GLY HN . 19957 1 379 . 1 1 51 51 GLY HA2 H 1 3.837 0.04 . 1 . . . . 51 GLY HA1 . 19957 1 380 . 1 1 51 51 GLY HA3 H 1 4.336 0.04 . 1 . . . . 51 GLY HA2 . 19957 1 381 . 1 1 51 51 GLY N N 15 111.776 0.20 . 1 . . . . 51 GLY N . 19957 1 382 . 1 1 52 52 THR H H 1 8.091 0.04 . 1 . . . . 52 THR HN . 19957 1 383 . 1 1 52 52 THR HA H 1 5.089 0.04 . 1 . . . . 52 THR HA . 19957 1 384 . 1 1 52 52 THR HB H 1 4.462 0.04 . 1 . . . . 52 THR HB . 19957 1 385 . 1 1 52 52 THR HG1 H 1 5.621 0.04 . 1 . . . . 52 THR HG1 . 19957 1 386 . 1 1 52 52 THR HG21 H 1 1.166 0.04 . 1 . . . . 52 THR HG21 . 19957 1 387 . 1 1 52 52 THR HG22 H 1 1.166 0.04 . 1 . . . . 52 THR HG22 . 19957 1 388 . 1 1 52 52 THR HG23 H 1 1.166 0.04 . 1 . . . . 52 THR HG23 . 19957 1 389 . 1 1 52 52 THR N N 15 111.776 0.20 . 1 . . . . 52 THR N . 19957 1 390 . 1 1 53 53 LYS H H 1 8.942 0.04 . 1 . . . . 53 LYS HN . 19957 1 391 . 1 1 53 53 LYS HA H 1 4.784 0.04 . 1 . . . . 53 LYS HA . 19957 1 392 . 1 1 53 53 LYS HB2 H 1 1.831 0.04 . 1 . . . . 53 LYS HB1 . 19957 1 393 . 1 1 53 53 LYS HB3 H 1 1.831 0.04 . 1 . . . . 53 LYS HB2 . 19957 1 394 . 1 1 53 53 LYS HG2 H 1 1.485 0.04 . 1 . . . . 53 LYS HG1 . 19957 1 395 . 1 1 53 53 LYS HG3 H 1 1.485 0.04 . 1 . . . . 53 LYS HG2 . 19957 1 396 . 1 1 53 53 LYS N N 15 121.711 0.20 . 1 . . . . 53 LYS N . 19957 1 397 . 1 1 54 54 LYS H H 1 8.161 0.04 . 1 . . . . 54 LYS HN . 19957 1 398 . 1 1 54 54 LYS HA H 1 4.586 0.04 . 1 . . . . 54 LYS HA . 19957 1 399 . 1 1 54 54 LYS HB2 H 1 1.441 0.04 . 1 . . . . 54 LYS HB1 . 19957 1 400 . 1 1 54 54 LYS HB3 H 1 1.979 0.04 . 1 . . . . 54 LYS HB2 . 19957 1 401 . 1 1 54 54 LYS HG2 H 1 1.441 0.04 . 1 . . . . 54 LYS HG1 . 19957 1 402 . 1 1 54 54 LYS HG3 H 1 1.650 0.04 . 1 . . . . 54 LYS HG2 . 19957 1 403 . 1 1 54 54 LYS HD2 H 1 1.199 0.04 . 1 . . . . 54 LYS HD1 . 19957 1 404 . 1 1 54 54 LYS HD3 H 1 1.199 0.04 . 1 . . . . 54 LYS HD2 . 19957 1 405 . 1 1 54 54 LYS HE2 H 1 2.974 0.04 . 1 . . . . 54 LYS HE1 . 19957 1 406 . 1 1 54 54 LYS HE3 H 1 2.974 0.04 . 1 . . . . 54 LYS HE2 . 19957 1 407 . 1 1 54 54 LYS N N 15 120.936 0.20 . 1 . . . . 54 LYS N . 19957 1 408 . 1 1 55 55 VAL H H 1 8.975 0.04 . 1 . . . . 55 VAL HN . 19957 1 409 . 1 1 55 55 VAL HA H 1 4.466 0.04 . 1 . . . . 55 VAL HA . 19957 1 410 . 1 1 55 55 VAL HB H 1 2.051 0.04 . 1 . . . . 55 VAL HB . 19957 1 411 . 1 1 55 55 VAL HG11 H 1 0.808 0.04 . 1 . . . . 55 VAL HG11 . 19957 1 412 . 1 1 55 55 VAL HG12 H 1 0.808 0.04 . 1 . . . . 55 VAL HG12 . 19957 1 413 . 1 1 55 55 VAL HG13 H 1 0.808 0.04 . 1 . . . . 55 VAL HG13 . 19957 1 414 . 1 1 55 55 VAL HG21 H 1 0.808 0.04 . 1 . . . . 55 VAL HG21 . 19957 1 415 . 1 1 55 55 VAL HG22 H 1 0.808 0.04 . 1 . . . . 55 VAL HG22 . 19957 1 416 . 1 1 55 55 VAL HG23 H 1 0.808 0.04 . 1 . . . . 55 VAL HG23 . 19957 1 417 . 1 1 55 55 VAL N N 15 124.820 0.20 . 1 . . . . 55 VAL N . 19957 1 418 . 1 1 56 56 HIS H H 1 9.437 0.04 . 1 . . . . 56 HIS HN . 19957 1 419 . 1 1 56 56 HIS HA H 1 4.466 0.04 . 1 . . . . 56 HIS HA . 19957 1 420 . 1 1 56 56 HIS HB2 H 1 2.905 0.04 . 1 . . . . 56 HIS HB1 . 19957 1 421 . 1 1 56 56 HIS HB3 H 1 3.416 0.04 . 1 . . . . 56 HIS HB2 . 19957 1 422 . 1 1 56 56 HIS HD2 H 1 7.441 0.04 . 1 . . . . 56 HIS HD2 . 19957 1 423 . 1 1 56 56 HIS HE1 H 1 8.013 0.04 . 1 . . . . 56 HIS HE1 . 19957 1 424 . 1 1 56 56 HIS N N 15 130.251 0.20 . 1 . . . . 56 HIS N . 19957 1 425 . 1 1 57 57 VAL H H 1 8.793 0.04 . 1 . . . . 57 VAL HN . 19957 1 426 . 1 1 57 57 VAL HA H 1 5.123 0.04 . 1 . . . . 57 VAL HA . 19957 1 427 . 1 1 57 57 VAL HB H 1 1.971 0.04 . 1 . . . . 57 VAL HB . 19957 1 428 . 1 1 57 57 VAL HG11 H 1 0.821 0.04 . 1 . . . . 57 VAL HG11 . 19957 1 429 . 1 1 57 57 VAL HG12 H 1 0.821 0.04 . 1 . . . . 57 VAL HG12 . 19957 1 430 . 1 1 57 57 VAL HG13 H 1 0.821 0.04 . 1 . . . . 57 VAL HG13 . 19957 1 431 . 1 1 57 57 VAL HG21 H 1 0.821 0.04 . 1 . . . . 57 VAL HG21 . 19957 1 432 . 1 1 57 57 VAL HG22 H 1 0.821 0.04 . 1 . . . . 57 VAL HG22 . 19957 1 433 . 1 1 57 57 VAL HG23 H 1 0.821 0.04 . 1 . . . . 57 VAL HG23 . 19957 1 434 . 1 1 57 57 VAL N N 15 127.151 0.20 . 1 . . . . 57 VAL N . 19957 1 435 . 1 1 58 58 PHE H H 1 9.552 0.04 . 1 . . . . 58 PHE HN . 19957 1 436 . 1 1 58 58 PHE HA H 1 5.349 0.04 . 1 . . . . 58 PHE HA . 19957 1 437 . 1 1 58 58 PHE HB2 H 1 2.601 0.04 . 1 . . . . 58 PHE HB1 . 19957 1 438 . 1 1 58 58 PHE HB3 H 1 3.067 0.04 . 1 . . . . 58 PHE HB2 . 19957 1 439 . 1 1 58 58 PHE HD1 H 1 6.975 0.04 . 3 . . . . 58 PHE HD# . 19957 1 440 . 1 1 58 58 PHE HD2 H 1 6.975 0.04 . 3 . . . . 58 PHE HD# . 19957 1 441 . 1 1 58 58 PHE HE1 H 1 7.362 0.04 . 3 . . . . 58 PHE HE# . 19957 1 442 . 1 1 58 58 PHE HE2 H 1 7.362 0.04 . 3 . . . . 58 PHE HE# . 19957 1 443 . 1 1 58 58 PHE HZ H 1 7.108 0.04 . 1 . . . . 58 PHE HZ . 19957 1 444 . 1 1 58 58 PHE N N 15 126.817 0.20 . 1 . . . . 58 PHE N . 19957 1 445 . 1 1 59 59 LYS H H 1 9.296 0.04 . 1 . . . . 59 LYS HN . 19957 1 446 . 1 1 59 59 LYS HA H 1 5.377 0.04 . 1 . . . . 59 LYS HA . 19957 1 447 . 1 1 59 59 LYS HB2 H 1 2.238 0.04 . 1 . . . . 59 LYS HB1 . 19957 1 448 . 1 1 59 59 LYS HB3 H 1 2.134 0.04 . 1 . . . . 59 LYS HB2 . 19957 1 449 . 1 1 59 59 LYS N N 15 122.262 0.20 . 1 . . . . 59 LYS N . 19957 1 450 . 1 1 60 60 ALA H H 1 9.593 0.04 . 1 . . . . 60 ALA HN . 19957 1 451 . 1 1 60 60 ALA HA H 1 5.583 0.04 . 1 . . . . 60 ALA HA . 19957 1 452 . 1 1 60 60 ALA HB1 H 1 1.325 0.04 . 1 . . . . 60 ALA HB1 . 19957 1 453 . 1 1 60 60 ALA HB2 H 1 1.325 0.04 . 1 . . . . 60 ALA HB2 . 19957 1 454 . 1 1 60 60 ALA HB3 H 1 1.325 0.04 . 1 . . . . 60 ALA HB3 . 19957 1 455 . 1 1 60 60 ALA N N 15 127.589 0.20 . 1 . . . . 60 ALA N . 19957 1 456 . 1 1 61 61 TRP H H 1 9.100 0.04 . 1 . . . . 61 TRP HN . 19957 1 457 . 1 1 61 61 TRP HA H 1 5.413 0.04 . 1 . . . . 61 TRP HA . 19957 1 458 . 1 1 61 61 TRP HB2 H 1 2.414 0.04 . 1 . . . . 61 TRP HB1 . 19957 1 459 . 1 1 61 61 TRP HB3 H 1 3.343 0.04 . 1 . . . . 61 TRP HB2 . 19957 1 460 . 1 1 61 61 TRP HD1 H 1 6.759 0.04 . 1 . . . . 61 TRP HD1 . 19957 1 461 . 1 1 61 61 TRP HE1 H 1 10.975 0.04 . 1 . . . . 61 TRP HE1 . 19957 1 462 . 1 1 61 61 TRP HE3 H 1 7.096 0.04 . 1 . . . . 61 TRP HE3 . 19957 1 463 . 1 1 61 61 TRP HZ2 H 1 7.269 0.04 . 1 . . . . 61 TRP HZ2 . 19957 1 464 . 1 1 61 61 TRP HZ3 H 1 6.759 0.04 . 1 . . . . 61 TRP HZ3 . 19957 1 465 . 1 1 61 61 TRP HH2 H 1 7.059 0.04 . 1 . . . . 61 TRP HH2 . 19957 1 466 . 1 1 61 61 TRP N N 15 122.483 0.20 . 1 . . . . 61 TRP N . 19957 1 467 . 1 1 61 61 TRP NE1 N 15 135.213 0.20 . 1 . . . . 61 TRP NE1 . 19957 1 468 . 1 1 62 62 LYS H H 1 7.586 0.04 . 1 . . . . 62 LYS HN . 19957 1 469 . 1 1 62 62 LYS HA H 1 5.515 0.04 . 1 . . . . 62 LYS HA . 19957 1 470 . 1 1 62 62 LYS HB2 H 1 1.830 0.04 . 1 . . . . 62 LYS HB1 . 19957 1 471 . 1 1 62 62 LYS HB3 H 1 1.830 0.04 . 1 . . . . 62 LYS HB2 . 19957 1 472 . 1 1 62 62 LYS N N 15 116.057 0.20 . 1 . . . . 62 LYS N . 19957 1 473 . 1 1 63 63 GLU H H 1 8.947 0.04 . 1 . . . . 63 GLU HN . 19957 1 474 . 1 1 63 63 GLU HA H 1 4.798 0.04 . 1 . . . . 63 GLU HA . 19957 1 475 . 1 1 63 63 GLU HB2 H 1 2.440 0.04 . 1 . . . . 63 GLU HB1 . 19957 1 476 . 1 1 63 63 GLU HB3 H 1 2.246 0.04 . 1 . . . . 63 GLU HB2 . 19957 1 477 . 1 1 63 63 GLU HG2 H 1 2.388 0.04 . 1 . . . . 63 GLU HG1 . 19957 1 478 . 1 1 63 63 GLU HG3 H 1 2.388 0.04 . 1 . . . . 63 GLU HG2 . 19957 1 479 . 1 1 63 63 GLU N N 15 121.399 0.20 . 1 . . . . 63 GLU N . 19957 1 480 . 1 1 64 64 ILE H H 1 8.611 0.04 . 1 . . . . 64 ILE HN . 19957 1 481 . 1 1 64 64 ILE HA H 1 4.795 0.04 . 1 . . . . 64 ILE HA . 19957 1 482 . 1 1 64 64 ILE HB H 1 1.887 0.04 . 1 . . . . 64 ILE HB . 19957 1 483 . 1 1 64 64 ILE HG12 H 1 1.333 0.04 . 1 . . . . 64 ILE HG11 . 19957 1 484 . 1 1 64 64 ILE HG13 H 1 1.594 0.04 . 1 . . . . 64 ILE HG12 . 19957 1 485 . 1 1 64 64 ILE HG21 H 1 0.845 0.04 . 1 . . . . 64 ILE HG21 . 19957 1 486 . 1 1 64 64 ILE HG22 H 1 0.845 0.04 . 1 . . . . 64 ILE HG22 . 19957 1 487 . 1 1 64 64 ILE HG23 H 1 0.845 0.04 . 1 . . . . 64 ILE HG23 . 19957 1 488 . 1 1 64 64 ILE HD11 H 1 0.845 0.04 . 1 . . . . 64 ILE HD11 . 19957 1 489 . 1 1 64 64 ILE HD12 H 1 0.845 0.04 . 1 . . . . 64 ILE HD12 . 19957 1 490 . 1 1 64 64 ILE HD13 H 1 0.845 0.04 . 1 . . . . 64 ILE HD13 . 19957 1 491 . 1 1 64 64 ILE N N 15 124.661 0.20 . 1 . . . . 64 ILE N . 19957 1 492 . 1 1 65 65 VAL H H 1 9.365 0.04 . 1 . . . . 65 VAL HN . 19957 1 493 . 1 1 65 65 VAL HA H 1 4.841 0.04 . 1 . . . . 65 VAL HA . 19957 1 494 . 1 1 65 65 VAL HB H 1 2.395 0.04 . 1 . . . . 65 VAL HB . 19957 1 495 . 1 1 65 65 VAL HG11 H 1 0.863 0.04 . 1 . . . . 65 VAL HG11 . 19957 1 496 . 1 1 65 65 VAL HG12 H 1 0.863 0.04 . 1 . . . . 65 VAL HG12 . 19957 1 497 . 1 1 65 65 VAL HG13 H 1 0.863 0.04 . 1 . . . . 65 VAL HG13 . 19957 1 498 . 1 1 65 65 VAL HG21 H 1 1.092 0.04 . 1 . . . . 65 VAL HG21 . 19957 1 499 . 1 1 65 65 VAL HG22 H 1 1.092 0.04 . 1 . . . . 65 VAL HG22 . 19957 1 500 . 1 1 65 65 VAL HG23 H 1 1.092 0.04 . 1 . . . . 65 VAL HG23 . 19957 1 501 . 1 1 65 65 VAL N N 15 125.146 0.20 . 1 . . . . 65 VAL N . 19957 1 502 . 1 1 66 66 ASP H H 1 8.316 0.04 . 1 . . . . 66 ASP HN . 19957 1 503 . 1 1 66 66 ASP HB2 H 1 2.513 0.04 . 1 . . . . 66 ASP HB1 . 19957 1 504 . 1 1 66 66 ASP HB3 H 1 2.725 0.04 . 1 . . . . 66 ASP HB2 . 19957 1 505 . 1 1 66 66 ASP N N 15 121.691 0.20 . 1 . . . . 66 ASP N . 19957 1 506 . 1 1 67 67 ALA H H 1 8.302 0.04 . 1 . . . . 67 ALA HN . 19957 1 507 . 1 1 67 67 ALA HA H 1 4.220 0.04 . 1 . . . . 67 ALA HA . 19957 1 508 . 1 1 67 67 ALA HB1 H 1 1.315 0.04 . 1 . . . . 67 ALA HB1 . 19957 1 509 . 1 1 67 67 ALA HB2 H 1 1.315 0.04 . 1 . . . . 67 ALA HB2 . 19957 1 510 . 1 1 67 67 ALA HB3 H 1 1.315 0.04 . 1 . . . . 67 ALA HB3 . 19957 1 511 . 1 1 67 67 ALA N N 15 127.040 0.20 . 1 . . . . 67 ALA N . 19957 1 512 . 1 1 68 68 PRO HA H 1 4.434 0.04 . 1 . . . . 68 PRO HA . 19957 1 513 . 1 1 68 68 PRO HB2 H 1 2.569 0.04 . 1 . . . . 68 PRO HB1 . 19957 1 514 . 1 1 68 68 PRO HB3 H 1 2.520 0.04 . 1 . . . . 68 PRO HB2 . 19957 1 515 . 1 1 69 69 LYS H H 1 8.481 0.04 . 1 . . . . 69 LYS HN . 19957 1 516 . 1 1 69 69 LYS HA H 1 3.921 0.04 . 1 . . . . 69 LYS HA . 19957 1 517 . 1 1 69 69 LYS HB2 H 1 1.795 0.04 . 1 . . . . 69 LYS HB1 . 19957 1 518 . 1 1 69 69 LYS HB3 H 1 1.795 0.04 . 1 . . . . 69 LYS HB2 . 19957 1 519 . 1 1 69 69 LYS HG2 H 1 1.504 0.04 . 1 . . . . 69 LYS HG1 . 19957 1 520 . 1 1 69 69 LYS HG3 H 1 1.504 0.04 . 1 . . . . 69 LYS HG2 . 19957 1 521 . 1 1 69 69 LYS HD2 H 1 2.379 0.04 . 1 . . . . 69 LYS HD1 . 19957 1 522 . 1 1 69 69 LYS HD3 H 1 2.379 0.04 . 1 . . . . 69 LYS HD2 . 19957 1 523 . 1 1 69 69 LYS N N 15 122.731 0.20 . 1 . . . . 69 LYS N . 19957 1 524 . 1 1 70 70 ASN H H 1 8.193 0.04 . 1 . . . . 70 ASN HN . 19957 1 525 . 1 1 70 70 ASN HA H 1 4.674 0.04 . 1 . . . . 70 ASN HA . 19957 1 526 . 1 1 70 70 ASN HB2 H 1 2.777 0.04 . 1 . . . . 70 ASN HB1 . 19957 1 527 . 1 1 70 70 ASN HB3 H 1 2.777 0.04 . 1 . . . . 70 ASN HB2 . 19957 1 528 . 1 1 70 70 ASN HD21 H 1 7.640 0.04 . 1 . . . . 70 ASN HD21 . 19957 1 529 . 1 1 70 70 ASN HD22 H 1 6.911 0.04 . 1 . . . . 70 ASN HD22 . 19957 1 530 . 1 1 70 70 ASN N N 15 117.994 0.20 . 1 . . . . 70 ASN N . 19957 1 531 . 1 1 70 70 ASN ND2 N 15 114.390 0.20 . 1 . . . . 70 ASN ND2 . 19957 1 532 . 1 1 71 71 ARG H H 1 7.402 0.04 . 1 . . . . 71 ARG HN . 19957 1 533 . 1 1 71 71 ARG HA H 1 4.366 0.04 . 1 . . . . 71 ARG HA . 19957 1 534 . 1 1 71 71 ARG HB2 H 1 1.578 0.04 . 1 . . . . 71 ARG HB1 . 19957 1 535 . 1 1 71 71 ARG HB3 H 1 1.733 0.04 . 1 . . . . 71 ARG HB2 . 19957 1 536 . 1 1 71 71 ARG HG2 H 1 1.209 0.04 . 1 . . . . 71 ARG HG1 . 19957 1 537 . 1 1 71 71 ARG HG3 H 1 1.397 0.04 . 1 . . . . 71 ARG HG2 . 19957 1 538 . 1 1 71 71 ARG HD2 H 1 2.543 0.04 . 1 . . . . 71 ARG HD1 . 19957 1 539 . 1 1 71 71 ARG HD3 H 1 2.960 0.04 . 1 . . . . 71 ARG HD2 . 19957 1 540 . 1 1 71 71 ARG HE H 1 6.711 0.04 . 1 . . . . 71 ARG HE . 19957 1 541 . 1 1 71 71 ARG HH11 H 1 7.438 0.04 . 1 . . . . 71 ARG HH11 . 19957 1 542 . 1 1 71 71 ARG HH12 H 1 7.438 0.04 . 1 . . . . 71 ARG HH12 . 19957 1 543 . 1 1 71 71 ARG N N 15 121.354 0.20 . 1 . . . . 71 ARG N . 19957 1 544 . 1 1 71 71 ARG NE N 15 87.91 0.20 . 1 . . . . 71 ARG NE . 19957 1 545 . 1 1 72 72 PRO HA H 1 4.086 0.04 . 1 . . . . 72 PRO HA . 19957 1 546 . 1 1 72 72 PRO HB2 H 1 0.068 0.04 . 1 . . . . 72 PRO HB1 . 19957 1 547 . 1 1 72 72 PRO HB3 H 1 1.579 0.04 . 1 . . . . 72 PRO HB2 . 19957 1 548 . 1 1 72 72 PRO HD2 H 1 3.246 0.04 . 1 . . . . 72 PRO HD1 . 19957 1 549 . 1 1 72 72 PRO HD3 H 1 2.925 0.04 . 1 . . . . 72 PRO HD2 . 19957 1 550 . 1 1 73 73 ALA H H 1 8.512 0.04 . 1 . . . . 73 ALA HN . 19957 1 551 . 1 1 73 73 ALA HA H 1 3.902 0.04 . 1 . . . . 73 ALA HA . 19957 1 552 . 1 1 73 73 ALA HB1 H 1 1.393 0.04 . 1 . . . . 73 ALA HB1 . 19957 1 553 . 1 1 73 73 ALA HB2 H 1 1.393 0.04 . 1 . . . . 73 ALA HB2 . 19957 1 554 . 1 1 73 73 ALA HB3 H 1 1.393 0.04 . 1 . . . . 73 ALA HB3 . 19957 1 555 . 1 1 73 73 ALA N N 15 123.915 0.20 . 1 . . . . 73 ALA N . 19957 1 556 . 1 1 74 74 TRP H H 1 6.419 0.04 . 1 . . . . 74 TRP HN . 19957 1 557 . 1 1 74 74 TRP HA H 1 4.396 0.04 . 1 . . . . 74 TRP HA . 19957 1 558 . 1 1 74 74 TRP HB2 H 1 3.022 0.04 . 1 . . . . 74 TRP HB1 . 19957 1 559 . 1 1 74 74 TRP HB3 H 1 3.461 0.04 . 1 . . . . 74 TRP HB2 . 19957 1 560 . 1 1 74 74 TRP HD1 H 1 6.845 0.04 . 1 . . . . 74 TRP HD1 . 19957 1 561 . 1 1 74 74 TRP HE1 H 1 10.278 0.04 . 1 . . . . 74 TRP HE1 . 19957 1 562 . 1 1 74 74 TRP HE3 H 1 6.815 0.04 . 1 . . . . 74 TRP HE3 . 19957 1 563 . 1 1 74 74 TRP HZ2 H 1 7.169 0.04 . 1 . . . . 74 TRP HZ2 . 19957 1 564 . 1 1 74 74 TRP HZ3 H 1 7.097 0.04 . 1 . . . . 74 TRP HZ3 . 19957 1 565 . 1 1 74 74 TRP HH2 H 1 6.677 0.04 . 1 . . . . 74 TRP HH2 . 19957 1 566 . 1 1 74 74 TRP N N 15 111.494 0.20 . 1 . . . . 74 TRP N . 19957 1 567 . 1 1 74 74 TRP NE1 N 15 133.346 0.20 . 1 . . . . 74 TRP NE1 . 19957 1 568 . 1 1 75 75 MET H H 1 7.060 0.04 . 1 . . . . 75 MET HN . 19957 1 569 . 1 1 75 75 MET HA H 1 4.433 0.04 . 1 . . . . 75 MET HA . 19957 1 570 . 1 1 75 75 MET HB2 H 1 1.731 0.04 . 1 . . . . 75 MET HB1 . 19957 1 571 . 1 1 75 75 MET HB3 H 1 1.877 0.04 . 1 . . . . 75 MET HB2 . 19957 1 572 . 1 1 75 75 MET HG2 H 1 2.438 0.04 . 1 . . . . 75 MET HG1 . 19957 1 573 . 1 1 75 75 MET HG3 H 1 2.438 0.04 . 1 . . . . 75 MET HG2 . 19957 1 574 . 1 1 75 75 MET HE1 H 1 1.945 0.04 . 1 . . . . 75 MET HE1 . 19957 1 575 . 1 1 75 75 MET HE2 H 1 1.945 0.04 . 1 . . . . 75 MET HE2 . 19957 1 576 . 1 1 75 75 MET HE3 H 1 1.945 0.04 . 1 . . . . 75 MET HE3 . 19957 1 577 . 1 1 75 75 MET N N 15 126.637 0.20 . 1 . . . . 75 MET N . 19957 1 578 . 1 1 76 76 PRO HA H 1 4.564 0.04 . 1 . . . . 76 PRO HA . 19957 1 579 . 1 1 76 76 PRO HB2 H 1 2.468 0.04 . 1 . . . . 76 PRO HB1 . 19957 1 580 . 1 1 76 76 PRO HB3 H 1 2.379 0.04 . 1 . . . . 76 PRO HB2 . 19957 1 581 . 1 1 76 76 PRO HD2 H 1 3.990 0.04 . 1 . . . . 76 PRO HD1 . 19957 1 582 . 1 1 76 76 PRO HD3 H 1 3.990 0.04 . 1 . . . . 76 PRO HD2 . 19957 1 583 . 1 1 77 77 GLU H H 1 8.139 0.04 . 1 . . . . 77 GLU HN . 19957 1 584 . 1 1 77 77 GLU HA H 1 3.694 0.04 . 1 . . . . 77 GLU HA . 19957 1 585 . 1 1 77 77 GLU HB2 H 1 2.020 0.04 . 1 . . . . 77 GLU HB1 . 19957 1 586 . 1 1 77 77 GLU HB3 H 1 2.020 0.04 . 1 . . . . 77 GLU HB2 . 19957 1 587 . 1 1 77 77 GLU HG2 H 1 2.280 0.04 . 1 . . . . 77 GLU HG1 . 19957 1 588 . 1 1 77 77 GLU HG3 H 1 2.278 0.04 . 1 . . . . 77 GLU HG2 . 19957 1 589 . 1 1 77 77 GLU N N 15 115.293 0.20 . 1 . . . . 77 GLU N . 19957 1 590 . 1 1 78 78 LYS H H 1 7.455 0.04 . 1 . . . . 78 LYS HN . 19957 1 591 . 1 1 78 78 LYS HA H 1 5.097 0.04 . 1 . . . . 78 LYS HA . 19957 1 592 . 1 1 78 78 LYS HB2 H 1 1.886 0.04 . 1 . . . . 78 LYS HB1 . 19957 1 593 . 1 1 78 78 LYS HB3 H 1 2.137 0.04 . 1 . . . . 78 LYS HB2 . 19957 1 594 . 1 1 78 78 LYS HG2 H 1 1.483 0.04 . 1 . . . . 78 LYS HG1 . 19957 1 595 . 1 1 78 78 LYS HG3 H 1 1.533 0.04 . 1 . . . . 78 LYS HG2 . 19957 1 596 . 1 1 78 78 LYS HE2 H 1 2.928 0.04 . 1 . . . . 78 LYS HE1 . 19957 1 597 . 1 1 78 78 LYS HE3 H 1 2.928 0.04 . 1 . . . . 78 LYS HE2 . 19957 1 598 . 1 1 78 78 LYS N N 15 119.573 0.20 . 1 . . . . 78 LYS N . 19957 1 599 . 1 1 79 79 ILE H H 1 8.973 0.04 . 1 . . . . 79 ILE HN . 19957 1 600 . 1 1 79 79 ILE HA H 1 4.689 0.04 . 1 . . . . 79 ILE HA . 19957 1 601 . 1 1 79 79 ILE HB H 1 1.887 0.04 . 1 . . . . 79 ILE HB . 19957 1 602 . 1 1 79 79 ILE HG12 H 1 1.401 0.04 . 1 . . . . 79 ILE HG11 . 19957 1 603 . 1 1 79 79 ILE HG13 H 1 1.685 0.04 . 1 . . . . 79 ILE HG12 . 19957 1 604 . 1 1 79 79 ILE HG21 H 1 1.400 0.04 . 1 . . . . 79 ILE HG21 . 19957 1 605 . 1 1 79 79 ILE HG22 H 1 1.400 0.04 . 1 . . . . 79 ILE HG22 . 19957 1 606 . 1 1 79 79 ILE HG23 H 1 1.400 0.04 . 1 . . . . 79 ILE HG23 . 19957 1 607 . 1 1 79 79 ILE HD11 H 1 0.885 0.04 . 1 . . . . 79 ILE HD11 . 19957 1 608 . 1 1 79 79 ILE HD12 H 1 0.885 0.04 . 1 . . . . 79 ILE HD12 . 19957 1 609 . 1 1 79 79 ILE HD13 H 1 0.885 0.04 . 1 . . . . 79 ILE HD13 . 19957 1 610 . 1 1 79 79 ILE N N 15 118.026 0.20 . 1 . . . . 79 ILE N . 19957 1 611 . 1 1 80 80 SER H H 1 8.550 0.04 . 1 . . . . 80 SER HN . 19957 1 612 . 1 1 80 80 SER HA H 1 5.092 0.04 . 1 . . . . 80 SER HA . 19957 1 613 . 1 1 80 80 SER HB2 H 1 3.771 0.04 . 1 . . . . 80 SER HB1 . 19957 1 614 . 1 1 80 80 SER HB3 H 1 3.832 0.04 . 1 . . . . 80 SER HB2 . 19957 1 615 . 1 1 80 80 SER N N 15 118.300 0.20 . 1 . . . . 80 SER N . 19957 1 616 . 1 1 81 81 LYS H H 1 9.197 0.04 . 1 . . . . 81 LYS HN . 19957 1 617 . 1 1 81 81 LYS HA H 1 4.800 0.04 . 1 . . . . 81 LYS HA . 19957 1 618 . 1 1 81 81 LYS HB2 H 1 1.664 0.04 . 1 . . . . 81 LYS HB1 . 19957 1 619 . 1 1 81 81 LYS HB3 H 1 1.867 0.04 . 1 . . . . 81 LYS HB2 . 19957 1 620 . 1 1 81 81 LYS HD2 H 1 1.396 0.04 . 1 . . . . 81 LYS HD1 . 19957 1 621 . 1 1 81 81 LYS HD3 H 1 1.396 0.04 . 1 . . . . 81 LYS HD2 . 19957 1 622 . 1 1 81 81 LYS N N 15 130.542 0.20 . 1 . . . . 81 LYS N . 19957 1 623 . 1 1 82 82 PRO HA H 1 4.995 0.04 . 1 . . . . 82 PRO HA . 19957 1 624 . 1 1 82 82 PRO HB2 H 1 1.925 0.04 . 1 . . . . 82 PRO HB1 . 19957 1 625 . 1 1 82 82 PRO HB3 H 1 1.925 0.04 . 1 . . . . 82 PRO HB2 . 19957 1 626 . 1 1 82 82 PRO HD2 H 1 3.757 0.04 . 1 . . . . 82 PRO HD1 . 19957 1 627 . 1 1 82 82 PRO HD3 H 1 3.756 0.04 . 1 . . . . 82 PRO HD2 . 19957 1 628 . 1 1 83 83 PHE H H 1 8.717 0.04 . 1 . . . . 83 PHE HN . 19957 1 629 . 1 1 83 83 PHE HA H 1 4.037 0.04 . 1 . . . . 83 PHE HA . 19957 1 630 . 1 1 83 83 PHE HB2 H 1 0.234 0.04 . 1 . . . . 83 PHE HB1 . 19957 1 631 . 1 1 83 83 PHE HB3 H 1 1.378 0.04 . 1 . . . . 83 PHE HB2 . 19957 1 632 . 1 1 83 83 PHE HD1 H 1 7.057 0.04 . 1 . . . . 83 PHE HD# . 19957 1 633 . 1 1 83 83 PHE HD2 H 1 7.057 0.04 . 1 . . . . 83 PHE HD# . 19957 1 634 . 1 1 83 83 PHE HE1 H 1 7.224 0.04 . 1 . . . . 83 PHE HE# . 19957 1 635 . 1 1 83 83 PHE HE2 H 1 7.224 0.04 . 1 . . . . 83 PHE HE# . 19957 1 636 . 1 1 83 83 PHE HZ H 1 7.223 0.04 . 1 . . . . 83 PHE HZ . 19957 1 637 . 1 1 83 83 PHE N N 15 120.486 0.20 . 1 . . . . 83 PHE N . 19957 1 638 . 1 1 84 84 VAL H H 1 7.577 0.04 . 1 . . . . 84 VAL HN . 19957 1 639 . 1 1 84 84 VAL HA H 1 5.415 0.04 . 1 . . . . 84 VAL HA . 19957 1 640 . 1 1 84 84 VAL HB H 1 2.119 0.04 . 1 . . . . 84 VAL HB . 19957 1 641 . 1 1 84 84 VAL HG11 H 1 0.508 0.04 . 1 . . . . 84 VAL HG11 . 19957 1 642 . 1 1 84 84 VAL HG12 H 1 0.508 0.04 . 1 . . . . 84 VAL HG12 . 19957 1 643 . 1 1 84 84 VAL HG13 H 1 0.508 0.04 . 1 . . . . 84 VAL HG13 . 19957 1 644 . 1 1 84 84 VAL HG21 H 1 0.561 0.04 . 1 . . . . 84 VAL HG21 . 19957 1 645 . 1 1 84 84 VAL HG22 H 1 0.561 0.04 . 1 . . . . 84 VAL HG22 . 19957 1 646 . 1 1 84 84 VAL HG23 H 1 0.561 0.04 . 1 . . . . 84 VAL HG23 . 19957 1 647 . 1 1 84 84 VAL N N 15 109.347 0.20 . 1 . . . . 84 VAL N . 19957 1 648 . 1 1 85 85 LYS H H 1 9.019 0.04 . 1 . . . . 85 LYS HN . 19957 1 649 . 1 1 85 85 LYS HA H 1 4.806 0.04 . 1 . . . . 85 LYS HA . 19957 1 650 . 1 1 85 85 LYS HB2 H 1 2.119 0.04 . 1 . . . . 85 LYS HB1 . 19957 1 651 . 1 1 85 85 LYS HB3 H 1 2.119 0.04 . 1 . . . . 85 LYS HB2 . 19957 1 652 . 1 1 85 85 LYS HG2 H 1 1.575 0.04 . 1 . . . . 85 LYS HG1 . 19957 1 653 . 1 1 85 85 LYS HG3 H 1 1.575 0.04 . 1 . . . . 85 LYS HG2 . 19957 1 654 . 1 1 86 86 LYS H H 1 9.356 0.04 . 1 . . . . 86 LYS HN . 19957 1 655 . 1 1 86 86 LYS HA H 1 3.849 0.04 . 1 . . . . 86 LYS HA . 19957 1 656 . 1 1 86 86 LYS HG2 H 1 1.391 0.04 . 1 . . . . 86 LYS HG1 . 19957 1 657 . 1 1 86 86 LYS HG3 H 1 1.391 0.04 . 1 . . . . 86 LYS HG2 . 19957 1 658 . 1 1 87 87 GLU H H 1 9.304 0.04 . 1 . . . . 87 GLU HN . 19957 1 659 . 1 1 87 87 GLU HA H 1 4.591 0.04 . 1 . . . . 87 GLU HA . 19957 1 660 . 1 1 87 87 GLU HB2 H 1 1.726 0.04 . 1 . . . . 87 GLU HB1 . 19957 1 661 . 1 1 87 87 GLU HB3 H 1 1.986 0.04 . 1 . . . . 87 GLU HB2 . 19957 1 662 . 1 1 87 87 GLU N N 15 129.114 0.20 . 1 . . . . 87 GLU N . 19957 1 663 . 1 1 88 88 ARG H H 1 7.431 0.04 . 1 . . . . 88 ARG HN . 19957 1 664 . 1 1 88 88 ARG HA H 1 4.475 0.04 . 1 . . . . 88 ARG HA . 19957 1 665 . 1 1 88 88 ARG HG2 H 1 1.050 0.04 . 1 . . . . 88 ARG HG1 . 19957 1 666 . 1 1 88 88 ARG HG3 H 1 1.050 0.04 . 1 . . . . 88 ARG HG2 . 19957 1 667 . 1 1 88 88 ARG HD2 H 1 3.167 0.04 . 1 . . . . 88 ARG HD1 . 19957 1 668 . 1 1 88 88 ARG HD3 H 1 3.283 0.04 . 1 . . . . 88 ARG HD2 . 19957 1 669 . 1 1 88 88 ARG HE H 1 8.189 0.04 . 1 . . . . 88 ARG HE . 19957 1 670 . 1 1 88 88 ARG N N 15 112.267 0.20 . 1 . . . . 88 ARG N . 19957 1 671 . 1 1 88 88 ARG NE N 15 87.76 0.20 . 1 . . . . 88 ARG NE . 19957 1 672 . 1 1 89 89 ILE H H 1 8.310 0.04 . 1 . . . . 89 ILE HN . 19957 1 673 . 1 1 89 89 ILE HA H 1 4.851 0.04 . 1 . . . . 89 ILE HA . 19957 1 674 . 1 1 89 89 ILE HB H 1 2.976 0.04 . 1 . . . . 89 ILE HB . 19957 1 675 . 1 1 89 89 ILE HG12 H 1 2.406 0.04 . 1 . . . . 89 ILE HG11 . 19957 1 676 . 1 1 89 89 ILE HG13 H 1 2.406 0.04 . 1 . . . . 89 ILE HG12 . 19957 1 677 . 1 1 89 89 ILE HG21 H 1 0.595 0.04 . 1 . . . . 89 ILE HG21 . 19957 1 678 . 1 1 89 89 ILE HG22 H 1 0.595 0.04 . 1 . . . . 89 ILE HG22 . 19957 1 679 . 1 1 89 89 ILE HG23 H 1 0.595 0.04 . 1 . . . . 89 ILE HG23 . 19957 1 680 . 1 1 89 89 ILE HD11 H 1 0.968 0.04 . 1 . . . . 89 ILE HD11 . 19957 1 681 . 1 1 89 89 ILE HD12 H 1 0.968 0.04 . 1 . . . . 89 ILE HD12 . 19957 1 682 . 1 1 89 89 ILE HD13 H 1 0.968 0.04 . 1 . . . . 89 ILE HD13 . 19957 1 683 . 1 1 89 89 ILE N N 15 121.691 0.20 . 1 . . . . 89 ILE N . 19957 1 684 . 1 1 90 90 GLU H H 1 9.549 0.04 . 1 . . . . 90 GLU HN . 19957 1 685 . 1 1 90 90 GLU HA H 1 4.586 0.04 . 1 . . . . 90 GLU HA . 19957 1 686 . 1 1 90 90 GLU HB2 H 1 1.831 0.04 . 1 . . . . 90 GLU HB1 . 19957 1 687 . 1 1 90 90 GLU HB3 H 1 2.038 0.04 . 1 . . . . 90 GLU HB2 . 19957 1 688 . 1 1 90 90 GLU HG2 H 1 2.267 0.04 . 1 . . . . 90 GLU HG1 . 19957 1 689 . 1 1 90 90 GLU HG3 H 1 2.256 0.04 . 1 . . . . 90 GLU HG2 . 19957 1 690 . 1 1 90 90 GLU N N 15 128.079 0.20 . 1 . . . . 90 GLU N . 19957 1 691 . 1 1 91 91 LYS H H 1 8.600 0.04 . 1 . . . . 91 LYS HN . 19957 1 692 . 1 1 91 91 LYS HA H 1 5.084 0.04 . 1 . . . . 91 LYS HA . 19957 1 693 . 1 1 91 91 LYS HB2 H 1 1.727 0.04 . 1 . . . . 91 LYS HB1 . 19957 1 694 . 1 1 91 91 LYS HB3 H 1 1.800 0.04 . 1 . . . . 91 LYS HB2 . 19957 1 695 . 1 1 91 91 LYS N N 15 122.698 0.20 . 1 . . . . 91 LYS N . 19957 1 696 . 1 1 92 92 LEU H H 1 8.787 0.04 . 1 . . . . 92 LEU HN . 19957 1 697 . 1 1 92 92 LEU HA H 1 4.449 0.04 . 1 . . . . 92 LEU HA . 19957 1 698 . 1 1 92 92 LEU HB2 H 1 1.536 0.04 . 1 . . . . 92 LEU HB1 . 19957 1 699 . 1 1 92 92 LEU HB3 H 1 1.690 0.04 . 1 . . . . 92 LEU HB2 . 19957 1 700 . 1 1 92 92 LEU HG H 1 1.328 0.04 . 1 . . . . 92 LEU HG . 19957 1 701 . 1 1 92 92 LEU HD11 H 1 0.809 0.04 . 1 . . . . 92 LEU HD11 . 19957 1 702 . 1 1 92 92 LEU HD12 H 1 0.809 0.04 . 1 . . . . 92 LEU HD12 . 19957 1 703 . 1 1 92 92 LEU HD13 H 1 0.809 0.04 . 1 . . . . 92 LEU HD13 . 19957 1 704 . 1 1 92 92 LEU HD21 H 1 0.809 0.04 . 1 . . . . 92 LEU HD21 . 19957 1 705 . 1 1 92 92 LEU HD22 H 1 0.809 0.04 . 1 . . . . 92 LEU HD22 . 19957 1 706 . 1 1 92 92 LEU HD23 H 1 0.809 0.04 . 1 . . . . 92 LEU HD23 . 19957 1 707 . 1 1 92 92 LEU N N 15 126.698 0.20 . 1 . . . . 92 LEU N . 19957 1 708 . 1 1 93 93 GLU H H 1 8.015 0.04 . 1 . . . . 93 GLU HN . 19957 1 709 . 1 1 93 93 GLU HA H 1 4.088 0.04 . 1 . . . . 93 GLU HA . 19957 1 710 . 1 1 93 93 GLU HB2 H 1 1.906 0.04 . 1 . . . . 93 GLU HB1 . 19957 1 711 . 1 1 93 93 GLU HB3 H 1 2.053 0.04 . 1 . . . . 93 GLU HB2 . 19957 1 712 . 1 1 93 93 GLU HG2 H 1 2.268 0.04 . 1 . . . . 93 GLU HG1 . 19957 1 713 . 1 1 93 93 GLU HG3 H 1 2.268 0.04 . 1 . . . . 93 GLU HG2 . 19957 1 714 . 1 1 93 93 GLU N N 15 126.883 0.20 . 1 . . . . 93 GLU N . 19957 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 19957 _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 1 '2D 1H-15N HSQC' . . . 19957 2 2 '2D 1H-13C HSQC' . . . 19957 2 3 '2D 1H-13C HSQC aromatic' . . . 19957 2 5 '2D 1H-1H NOESY' . . . 19957 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.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 1 1 DA H1' H 1 5.823 0.04 . 1 . . . . 1 A H1' . 19957 2 2 . 2 2 1 1 DA H2 H 1 7.659 0.04 . 1 . . . . 1 A H2 . 19957 2 3 . 2 2 1 1 DA H2' H 1 2.359 0.04 . 1 . . . . 1 A H2' . 19957 2 4 . 2 2 1 1 DA H2'' H 1 2.594 0.04 . 1 . . . . 1 A H2'' . 19957 2 5 . 2 2 1 1 DA H3' H 1 4.817 0.04 . 1 . . . . 1 A H3' . 19957 2 6 . 2 2 1 1 DA H4' H 1 4.650 0.04 . 1 . . . . 1 A H4' . 19957 2 7 . 2 2 1 1 DA H5' H 1 4.203 0.04 . 1 . . . . 1 A H5' . 19957 2 8 . 2 2 1 1 DA H5'' H 1 3.702 0.04 . 1 . . . . 1 A H5'' . 19957 2 9 . 2 2 1 1 DA H8 H 1 8.051 0.04 . 1 . . . . 1 A H8 . 19957 2 10 . 2 2 1 1 DA C1' C 13 83.944 0.20 . 1 . . . . 1 A C1' . 19957 2 11 . 2 2 1 1 DA C2 C 13 153.877 0.20 . 1 . . . . 1 A C2 . 19957 2 12 . 2 2 1 1 DA C2' C 13 40.501 0.20 . 1 . . . . 1 A C2' . 19957 2 13 . 2 2 1 1 DA C5' C 13 63.975 0.20 . 1 . . . . 1 A C5' . 19957 2 14 . 2 2 1 1 DA C8 C 13 141.475 0.20 . 1 . . . . 1 A C8 . 19957 2 15 . 2 2 2 2 DA H1' H 1 5.621 0.04 . 1 . . . . 2 A H1' . 19957 2 16 . 2 2 2 2 DA H2 H 1 7.303 0.04 . 1 . . . . 2 A H2 . 19957 2 17 . 2 2 2 2 DA H2' H 1 2.765 0.04 . 1 . . . . 2 A H2' . 19957 2 18 . 2 2 2 2 DA H2'' H 1 2.673 0.04 . 1 . . . . 2 A H2'' . 19957 2 19 . 2 2 2 2 DA H3' H 1 5.011 0.04 . 1 . . . . 2 A H3' . 19957 2 20 . 2 2 2 2 DA H5' H 1 4.151 0.04 . 1 . . . . 2 A H5' . 19957 2 21 . 2 2 2 2 DA H5'' H 1 4.374 0.04 . 1 . . . . 2 A H5'' . 19957 2 22 . 2 2 2 2 DA H8 H 1 8.161 0.04 . 1 . . . . 2 A H8 . 19957 2 23 . 2 2 2 2 DA C1' C 13 83.799 0.20 . 1 . . . . 2 A C1' . 19957 2 24 . 2 2 2 2 DA C2 C 13 153.479 0.20 . 1 . . . . 2 A C2 . 19957 2 25 . 2 2 2 2 DA C2' C 13 39.717 0.20 . 1 . . . . 2 A C2' . 19957 2 26 . 2 2 2 2 DA C5' C 13 67.580 0.20 . 1 . . . . 2 A C5' . 19957 2 27 . 2 2 2 2 DA C8 C 13 140.548 0.20 . 1 . . . . 2 A C8 . 19957 2 28 . 2 2 3 3 DA H1' H 1 5.825 0.04 . 1 . . . . 3 A H1' . 19957 2 29 . 2 2 3 3 DA H2 H 1 7.141 0.04 . 1 . . . . 3 A H2 . 19957 2 30 . 2 2 3 3 DA H2' H 1 2.680 0.04 . 1 . . . . 3 A H2' . 19957 2 31 . 2 2 3 3 DA H2'' H 1 2.857 0.04 . 1 . . . . 3 A H2'' . 19957 2 32 . 2 2 3 3 DA H3' H 1 5.024 0.04 . 1 . . . . 3 A H3' . 19957 2 33 . 2 2 3 3 DA H5' H 1 4.432 0.04 . 1 . . . . 3 A H5' . 19957 2 34 . 2 2 3 3 DA H5'' H 1 4.087 0.04 . 1 . . . . 3 A H5'' . 19957 2 35 . 2 2 3 3 DA H8 H 1 8.077 0.04 . 1 . . . . 3 A H8 . 19957 2 36 . 2 2 3 3 DA C1' C 13 83.847 0.20 . 1 . . . . 3 A C1' . 19957 2 37 . 2 2 3 3 DA C2 C 13 153.208 0.20 . 1 . . . . 3 A C2 . 19957 2 38 . 2 2 3 3 DA C2' C 13 40.665 0.20 . 1 . . . . 3 A C2' . 19957 2 39 . 2 2 3 3 DA C5' C 13 65.194 0.20 . 1 . . . . 3 A C5' . 19957 2 40 . 2 2 3 3 DA C8 C 13 140.356 0.20 . 1 . . . . 3 A C8 . 19957 2 41 . 2 2 4 4 DA H1' H 1 5.977 0.04 . 1 . . . . 4 A H1' . 19957 2 42 . 2 2 4 4 DA H2 H 1 7.151 0.04 . 1 . . . . 4 A H2 . 19957 2 43 . 2 2 4 4 DA H2' H 1 2.514 0.04 . 1 . . . . 4 A H2' . 19957 2 44 . 2 2 4 4 DA H2'' H 1 2.991 0.04 . 1 . . . . 4 A H2'' . 19957 2 45 . 2 2 4 4 DA H3' H 1 5.081 0.04 . 1 . . . . 4 A H3' . 19957 2 46 . 2 2 4 4 DA H4' H 1 4.367 0.04 . 1 . . . . 4 A H4' . 19957 2 47 . 2 2 4 4 DA H5'' H 1 3.707 0.04 . 1 . . . . 4 A H5'' . 19957 2 48 . 2 2 4 4 DA H8 H 1 8.011 0.04 . 1 . . . . 4 A H8 . 19957 2 49 . 2 2 4 4 DA C1' C 13 83.905 0.20 . 1 . . . . 4 A C1' . 19957 2 50 . 2 2 4 4 DA C2 C 13 153.208 0.20 . 1 . . . . 4 A C2 . 19957 2 51 . 2 2 4 4 DA C2' C 13 41.408 0.20 . 1 . . . . 4 A C2' . 19957 2 52 . 2 2 4 4 DA C3' C 13 78.642 0.20 . 1 . . . . 4 A C3' . 19957 2 53 . 2 2 4 4 DA C4' C 13 86.650 0.20 . 1 . . . . 4 A C4' . 19957 2 54 . 2 2 4 4 DA C5' C 13 63.975 0.20 . 1 . . . . 4 A C5' . 19957 2 55 . 2 2 4 4 DA C8 C 13 140.235 0.20 . 1 . . . . 4 A C8 . 19957 2 56 . 2 2 5 5 DA H1' H 1 5.980 0.04 . 1 . . . . 5 A H1' . 19957 2 57 . 2 2 5 5 DA H2 H 1 7.623 0.04 . 1 . . . . 5 A H2 . 19957 2 58 . 2 2 5 5 DA H2' H 1 2.515 0.04 . 1 . . . . 5 A H2' . 19957 2 59 . 2 2 5 5 DA H2'' H 1 2.986 0.04 . 1 . . . . 5 A H2'' . 19957 2 60 . 2 2 5 5 DA H3' H 1 4.918 0.04 . 1 . . . . 5 A H3' . 19957 2 61 . 2 2 5 5 DA H4' H 1 4.098 0.04 . 1 . . . . 5 A H4' . 19957 2 62 . 2 2 5 5 DA H5' H 1 4.213 0.04 . 1 . . . . 5 A H5' . 19957 2 63 . 2 2 5 5 DA H5'' H 1 4.141 0.04 . 1 . . . . 5 A H5'' . 19957 2 64 . 2 2 5 5 DA H8 H 1 7.973 0.04 . 1 . . . . 5 A H8 . 19957 2 65 . 2 2 5 5 DA C1' C 13 83.905 0.20 . 1 . . . . 5 A C1' . 19957 2 66 . 2 2 5 5 DA C2 C 13 154.079 0.20 . 1 . . . . 5 A C2 . 19957 2 67 . 2 2 5 5 DA C2' C 13 41.408 0.20 . 1 . . . . 5 A C2' . 19957 2 68 . 2 2 5 5 DA C4' C 13 84.943 0.20 . 1 . . . . 5 A C4' . 19957 2 69 . 2 2 5 5 DA C5' C 13 67.069 0.20 . 1 . . . . 5 A C5' . 19957 2 70 . 2 2 5 5 DA C8 C 13 140.303 0.20 . 1 . . . . 5 A C8 . 19957 2 71 . 2 2 6 6 DC H1' H 1 5.831 0.04 . 1 . . . . 6 C H1' . 19957 2 72 . 2 2 6 6 DC H2' H 1 1.665 0.04 . 1 . . . . 6 C H2' . 19957 2 73 . 2 2 6 6 DC H2'' H 1 2.012 0.04 . 1 . . . . 6 C H2'' . 19957 2 74 . 2 2 6 6 DC H3' H 1 4.819 0.04 . 1 . . . . 6 C H3' . 19957 2 75 . 2 2 6 6 DC H5 H 1 5.124 0.04 . 1 . . . . 6 C H5 . 19957 2 76 . 2 2 6 6 DC H5'' H 1 4.400 0.04 . 1 . . . . 6 C H5'' . 19957 2 77 . 2 2 6 6 DC H6 H 1 7.595 0.04 . 1 . . . . 6 C H6 . 19957 2 78 . 2 2 6 6 DC H41 H 1 7.983 0.04 . 1 . . . . 6 C H41 . 19957 2 79 . 2 2 6 6 DC H42 H 1 6.563 0.04 . 1 . . . . 6 C H42 . 19957 2 80 . 2 2 6 6 DC C1' C 13 83.847 0.20 . 1 . . . . 6 C C1' . 19957 2 81 . 2 2 6 6 DC C2' C 13 39.609 0.20 . 1 . . . . 6 C C2' . 19957 2 82 . 2 2 6 6 DC C5 C 13 97.301 0.20 . 1 . . . . 6 C C5 . 19957 2 83 . 2 2 6 6 DC C5' C 13 65.828 0.20 . 1 . . . . 6 C C5' . 19957 2 84 . 2 2 6 6 DC C6 C 13 142.856 0.20 . 1 . . . . 6 C C6 . 19957 2 85 . 2 2 6 6 DC N4 N 15 99.018 0.20 . 1 . . . . 6 C N4 . 19957 2 86 . 2 2 7 7 DA H1' H 1 6.154 0.04 . 1 . . . . 7 A H1' . 19957 2 87 . 2 2 7 7 DA H2 H 1 7.531 0.04 . 1 . . . . 7 A H2 . 19957 2 88 . 2 2 7 7 DA H2' H 1 2.837 0.04 . 1 . . . . 7 A H2' . 19957 2 89 . 2 2 7 7 DA H2'' H 1 2.662 0.04 . 1 . . . . 7 A H2'' . 19957 2 90 . 2 2 7 7 DA H3' H 1 4.802 0.04 . 1 . . . . 7 A H3' . 19957 2 91 . 2 2 7 7 DA H4' H 1 4.345 0.04 . 1 . . . . 7 A H4' . 19957 2 92 . 2 2 7 7 DA H8 H 1 8.108 0.04 . 1 . . . . 7 A H8 . 19957 2 93 . 2 2 7 7 DA C1' C 13 84.590 0.20 . 1 . . . . 7 A C1' . 19957 2 94 . 2 2 7 7 DA C2 C 13 153.877 0.20 . 1 . . . . 7 A C2 . 19957 2 95 . 2 2 7 7 DA C2' C 13 41.010 0.20 . 1 . . . . 7 A C2' . 19957 2 96 . 2 2 7 7 DA C4' C 13 86.506 0.20 . 1 . . . . 7 A C4' . 19957 2 97 . 2 2 7 7 DA C8 C 13 140.429 0.20 . 1 . . . . 7 A C8 . 19957 2 98 . 2 2 8 8 DC H1' H 1 5.574 0.04 . 1 . . . . 8 C H1' . 19957 2 99 . 2 2 8 8 DC H2' H 1 2.011 0.04 . 1 . . . . 8 C H2' . 19957 2 100 . 2 2 8 8 DC H2'' H 1 2.377 0.04 . 1 . . . . 8 C H2'' . 19957 2 101 . 2 2 8 8 DC H5 H 1 5.213 0.04 . 1 . . . . 8 C H5 . 19957 2 102 . 2 2 8 8 DC H5'' H 1 4.151 0.04 . 1 . . . . 8 C H5'' . 19957 2 103 . 2 2 8 8 DC H6 H 1 7.229 0.04 . 1 . . . . 8 C H6 . 19957 2 104 . 2 2 8 8 DC H41 H 1 8.194 0.04 . 1 . . . . 8 C H41 . 19957 2 105 . 2 2 8 8 DC H42 H 1 6.503 0.04 . 1 . . . . 8 C H42 . 19957 2 106 . 2 2 8 8 DC C1' C 13 85.386 0.20 . 1 . . . . 8 C C1' . 19957 2 107 . 2 2 8 8 DC C2' C 13 39.656 0.20 . 1 . . . . 8 C C2' . 19957 2 108 . 2 2 8 8 DC C5 C 13 97.368 0.20 . 1 . . . . 8 C C5 . 19957 2 109 . 2 2 8 8 DC C5' C 13 65.595 0.20 . 1 . . . . 8 C C5' . 19957 2 110 . 2 2 8 8 DC C6 C 13 141.047 0.20 . 1 . . . . 8 C C6 . 19957 2 111 . 2 2 8 8 DC N4 N 15 99.544 0.20 . 1 . . . . 8 C N4 . 19957 2 112 . 2 2 9 9 DA H1' H 1 6.154 0.04 . 1 . . . . 9 A H1' . 19957 2 113 . 2 2 9 9 DA H2 H 1 7.572 0.04 . 1 . . . . 9 A H2 . 19957 2 114 . 2 2 9 9 DA H2' H 1 2.661 0.04 . 1 . . . . 9 A H2' . 19957 2 115 . 2 2 9 9 DA H2'' H 1 2.841 0.04 . 1 . . . . 9 A H2'' . 19957 2 116 . 2 2 9 9 DA H8 H 1 8.110 0.04 . 1 . . . . 9 A H8 . 19957 2 117 . 2 2 9 9 DA C1' C 13 84.590 0.20 . 1 . . . . 9 A C1' . 19957 2 118 . 2 2 9 9 DA C2 C 13 154.091 0.20 . 1 . . . . 9 A C2 . 19957 2 119 . 2 2 9 9 DA C2' C 13 40.665 0.20 . 1 . . . . 9 A C2' . 19957 2 120 . 2 2 9 9 DA C8 C 13 140.429 0.20 . 1 . . . . 9 A C8 . 19957 2 121 . 2 2 10 10 DC H1' H 1 5.574 0.04 . 1 . . . . 10 C H1' . 19957 2 122 . 2 2 10 10 DC H2' H 1 2.009 0.04 . 1 . . . . 10 C H2' . 19957 2 123 . 2 2 10 10 DC H2'' H 1 2.363 0.04 . 1 . . . . 10 C H2'' . 19957 2 124 . 2 2 10 10 DC H5 H 1 5.214 0.04 . 1 . . . . 10 C H5 . 19957 2 125 . 2 2 10 10 DC H5'' H 1 4.150 0.04 . 1 . . . . 10 C H5'' . 19957 2 126 . 2 2 10 10 DC H6 H 1 7.237 0.04 . 1 . . . . 10 C H6 . 19957 2 127 . 2 2 10 10 DC H41 H 1 8.196 0.04 . 1 . . . . 10 C H41 . 19957 2 128 . 2 2 10 10 DC H42 H 1 6.511 0.04 . 1 . . . . 10 C H42 . 19957 2 129 . 2 2 10 10 DC C1' C 13 83.944 0.20 . 1 . . . . 10 C C1' . 19957 2 130 . 2 2 10 10 DC C2' C 13 39.656 0.20 . 1 . . . . 10 C C2' . 19957 2 131 . 2 2 10 10 DC C5 C 13 97.368 0.20 . 1 . . . . 10 C C5 . 19957 2 132 . 2 2 10 10 DC C5' C 13 65.595 0.20 . 1 . . . . 10 C C5' . 19957 2 133 . 2 2 10 10 DC C6 C 13 141.047 0.20 . 1 . . . . 10 C C6 . 19957 2 134 . 2 2 10 10 DC N4 N 15 99.651 0.20 . 1 . . . . 10 C N4 . 19957 2 135 . 2 2 11 11 DA H1' H 1 6.153 0.04 . 1 . . . . 11 A H1' . 19957 2 136 . 2 2 11 11 DA H2 H 1 7.524 0.04 . 1 . . . . 11 A H2 . 19957 2 137 . 2 2 11 11 DA H2' H 1 2.825 0.04 . 1 . . . . 11 A H2' . 19957 2 138 . 2 2 11 11 DA H2'' H 1 2.667 0.04 . 1 . . . . 11 A H2'' . 19957 2 139 . 2 2 11 11 DA H3' H 1 4.928 0.04 . 1 . . . . 11 A H3' . 19957 2 140 . 2 2 11 11 DA H4' H 1 4.664 0.04 . 1 . . . . 11 A H4' . 19957 2 141 . 2 2 11 11 DA H5' H 1 4.149 0.04 . 1 . . . . 11 A H5' . 19957 2 142 . 2 2 11 11 DA H5'' H 1 4.365 0.04 . 1 . . . . 11 A H5'' . 19957 2 143 . 2 2 11 11 DA H8 H 1 8.110 0.04 . 1 . . . . 11 A H8 . 19957 2 144 . 2 2 11 11 DA C1' C 13 84.590 0.20 . 1 . . . . 11 A C1' . 19957 2 145 . 2 2 11 11 DA C2 C 13 153.817 0.20 . 1 . . . . 11 A C2 . 19957 2 146 . 2 2 11 11 DA C2' C 13 41.010 0.20 . 1 . . . . 11 A C2' . 19957 2 147 . 2 2 11 11 DA C8 C 13 140.429 0.20 . 1 . . . . 11 A C8 . 19957 2 148 . 2 2 12 12 DC H1' H 1 5.741 0.04 . 1 . . . . 12 C H1' . 19957 2 149 . 2 2 12 12 DC H2' H 1 2.427 0.04 . 1 . . . . 12 C H2' . 19957 2 150 . 2 2 12 12 DC H2'' H 1 2.103 0.04 . 1 . . . . 12 C H2'' . 19957 2 151 . 2 2 12 12 DC H3' H 1 4.661 0.04 . 1 . . . . 12 C H3' . 19957 2 152 . 2 2 12 12 DC H4' H 1 4.279 0.04 . 1 . . . . 12 C H4' . 19957 2 153 . 2 2 12 12 DC H5 H 1 5.214 0.04 . 1 . . . . 12 C H5 . 19957 2 154 . 2 2 12 12 DC H5' H 1 4.151 0.04 . 1 . . . . 12 C H5' . 19957 2 155 . 2 2 12 12 DC H5'' H 1 4.151 0.04 . 1 . . . . 12 C H5'' . 19957 2 156 . 2 2 12 12 DC H6 H 1 7.247 0.04 . 1 . . . . 12 C H6 . 19957 2 157 . 2 2 12 12 DC H41 H 1 8.115 0.04 . 1 . . . . 12 C H41 . 19957 2 158 . 2 2 12 12 DC H42 H 1 6.564 0.04 . 1 . . . . 12 C H42 . 19957 2 159 . 2 2 12 12 DC C1' C 13 85.862 0.20 . 1 . . . . 12 C C1' . 19957 2 160 . 2 2 12 12 DC C2' C 13 40.134 0.20 . 1 . . . . 12 C C2' . 19957 2 161 . 2 2 12 12 DC C5 C 13 97.368 0.20 . 1 . . . . 12 C C5 . 19957 2 162 . 2 2 12 12 DC C5' C 13 65.595 0.20 . 1 . . . . 12 C C5' . 19957 2 163 . 2 2 12 12 DC C6 C 13 141.047 0.20 . 1 . . . . 12 C C6 . 19957 2 164 . 2 2 12 12 DC N4 N 15 99.234 0.20 . 1 . . . . 12 C N4 . 19957 2 165 . 2 2 13 13 DC H1' H 1 5.888 0.04 . 1 . . . . 13 C H1' . 19957 2 166 . 2 2 13 13 DC H2' H 1 2.414 0.04 . 1 . . . . 13 C H2' . 19957 2 167 . 2 2 13 13 DC H2'' H 1 2.064 0.04 . 1 . . . . 13 C H2'' . 19957 2 168 . 2 2 13 13 DC H3' H 1 4.977 0.04 . 1 . . . . 13 C H3' . 19957 2 169 . 2 2 13 13 DC H4' H 1 4.065 0.04 . 1 . . . . 13 C H4' . 19957 2 170 . 2 2 13 13 DC H5 H 1 5.475 0.04 . 1 . . . . 13 C H5 . 19957 2 171 . 2 2 13 13 DC H5' H 1 3.704 0.04 . 1 . . . . 13 C H5' . 19957 2 172 . 2 2 13 13 DC H5'' H 1 4.057 0.04 . 1 . . . . 13 C H5'' . 19957 2 173 . 2 2 13 13 DC H6 H 1 7.512 0.04 . 1 . . . . 13 C H6 . 19957 2 174 . 2 2 13 13 DC H41 H 1 8.476 0.04 . 1 . . . . 13 C H41 . 19957 2 175 . 2 2 13 13 DC H42 H 1 6.741 0.04 . 1 . . . . 13 C H42 . 19957 2 176 . 2 2 13 13 DC C1' C 13 85.944 0.20 . 1 . . . . 13 C C1' . 19957 2 177 . 2 2 13 13 DC C2' C 13 40.134 0.20 . 1 . . . . 13 C C2' . 19957 2 178 . 2 2 13 13 DC C4' C 13 84.678 0.20 . 1 . . . . 13 C C4' . 19957 2 179 . 2 2 13 13 DC C5 C 13 97.723 0.20 . 1 . . . . 13 C C5 . 19957 2 180 . 2 2 13 13 DC C5' C 13 63.975 0.20 . 1 . . . . 13 C C5' . 19957 2 181 . 2 2 13 13 DC C6 C 13 142.651 0.20 . 1 . . . . 13 C C6 . 19957 2 182 . 2 2 13 13 DC N4 N 15 99.586 0.20 . 1 . . . . 13 C N4 . 19957 2 183 . 2 2 14 14 DC H1' H 1 6.055 0.04 . 1 . . . . 14 C H1' . 19957 2 184 . 2 2 14 14 DC H2' H 1 2.014 0.04 . 1 . . . . 14 C H2' . 19957 2 185 . 2 2 14 14 DC H2'' H 1 2.340 0.04 . 1 . . . . 14 C H2'' . 19957 2 186 . 2 2 14 14 DC H3' H 1 4.936 0.04 . 1 . . . . 14 C H3' . 19957 2 187 . 2 2 14 14 DC H4' H 1 4.118 0.04 . 1 . . . . 14 C H4' . 19957 2 188 . 2 2 14 14 DC H5 H 1 5.612 0.04 . 1 . . . . 14 C H5 . 19957 2 189 . 2 2 14 14 DC H6 H 1 7.509 0.04 . 1 . . . . 14 C H6 . 19957 2 190 . 2 2 14 14 DC H41 H 1 7.108 0.04 . 1 . . . . 14 C H41 . 19957 2 191 . 2 2 14 14 DC H42 H 1 8.245 0.04 . 1 . . . . 14 C H42 . 19957 2 192 . 2 2 14 14 DC C1' C 13 86.084 0.20 . 1 . . . . 14 C C1' . 19957 2 193 . 2 2 14 14 DC C2' C 13 39.656 0.20 . 1 . . . . 14 C C2' . 19957 2 194 . 2 2 14 14 DC C4' C 13 84.943 0.20 . 1 . . . . 14 C C4' . 19957 2 195 . 2 2 14 14 DC C5 C 13 98.306 0.20 . 1 . . . . 14 C C5 . 19957 2 196 . 2 2 14 14 DC C6 C 13 142.651 0.20 . 1 . . . . 14 C C6 . 19957 2 197 . 2 2 14 14 DC N4 N 15 100.405 0.20 . 1 . . . . 14 C N4 . 19957 2 198 . 2 2 15 15 DA H1' H 1 6.369 0.04 . 1 . . . . 15 A H1' . 19957 2 199 . 2 2 15 15 DA H2 H 1 8.007 0.04 . 1 . . . . 15 A H2 . 19957 2 200 . 2 2 15 15 DA H2' H 1 2.723 0.04 . 1 . . . . 15 A H2' . 19957 2 201 . 2 2 15 15 DA H2'' H 1 2.511 0.04 . 1 . . . . 15 A H2'' . 19957 2 202 . 2 2 15 15 DA H3' H 1 4.722 0.04 . 1 . . . . 15 A H3' . 19957 2 203 . 2 2 15 15 DA H4' H 1 4.366 0.04 . 1 . . . . 15 A H4' . 19957 2 204 . 2 2 15 15 DA H5' H 1 4.225 0.04 . 1 . . . . 15 A H5' . 19957 2 205 . 2 2 15 15 DA H5'' H 1 4.225 0.04 . 1 . . . . 15 A H5'' . 19957 2 206 . 2 2 15 15 DA H8 H 1 8.301 0.04 . 1 . . . . 15 A H8 . 19957 2 207 . 2 2 15 15 DA C1' C 13 85.389 0.20 . 1 . . . . 15 A C1' . 19957 2 208 . 2 2 15 15 DA C2 C 13 154.538 0.20 . 1 . . . . 15 A C2 . 19957 2 209 . 2 2 15 15 DA C2' C 13 41.365 0.20 . 1 . . . . 15 A C2' . 19957 2 210 . 2 2 15 15 DA C4' C 13 86.650 0.20 . 1 . . . . 15 A C4' . 19957 2 211 . 2 2 15 15 DA C5' C 13 67.552 0.20 . 1 . . . . 15 A C5' . 19957 2 212 . 2 2 15 15 DA C8 C 13 141.835 0.20 . 1 . . . . 15 A C8 . 19957 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 19957 _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 5 '2D 1H-1H NOESY' . . . 19957 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.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 . 3 3 1 1 DT H1' H 1 5.992 0.04 . 1 . . . . 1 T H1' . 19957 3 2 . 3 3 1 1 DT H2' H 1 1.924 0.04 . 1 . . . . 1 T H2' . 19957 3 3 . 3 3 1 1 DT H2'' H 1 2.309 0.04 . 1 . . . . 1 T H2'' . 19957 3 4 . 3 3 1 1 DT H3' H 1 5.090 0.04 . 1 . . . . 1 T H3' . 19957 3 5 . 3 3 1 1 DT H4' H 1 4.511 0.04 . 1 . . . . 1 T H4' . 19957 3 6 . 3 3 1 1 DT H5' H 1 4.089 0.04 . 1 . . . . 1 T H5' . 19957 3 7 . 3 3 1 1 DT H5'' H 1 3.698 0.04 . 1 . . . . 1 T H5'' . 19957 3 8 . 3 3 1 1 DT H6 H 1 7.322 0.04 . 1 . . . . 1 T H6 . 19957 3 9 . 3 3 1 1 DT H71 H 1 1.580 0.04 . 1 . . . . 1 T H71 . 19957 3 10 . 3 3 1 1 DT H72 H 1 1.580 0.04 . 1 . . . . 1 T H72 . 19957 3 11 . 3 3 1 1 DT H73 H 1 1.580 0.04 . 1 . . . . 1 T H73 . 19957 3 12 . 3 3 2 2 DG H1 H 1 12.645 0.04 . 1 . . . . 2 G H1 . 19957 3 13 . 3 3 2 2 DG H1' H 1 5.447 0.04 . 1 . . . . 2 G H1' . 19957 3 14 . 3 3 2 2 DG H2' H 1 2.779 0.04 . 1 . . . . 2 G H2' . 19957 3 15 . 3 3 2 2 DG H2'' H 1 2.779 0.04 . 1 . . . . 2 G H2'' . 19957 3 16 . 3 3 2 2 DG H5' H 1 4.047 0.04 . 1 . . . . 2 G H5' . 19957 3 17 . 3 3 2 2 DG H5'' H 1 4.047 0.04 . 1 . . . . 2 G H5'' . 19957 3 18 . 3 3 2 2 DG H8 H 1 7.452 0.04 . 1 . . . . 2 G H8 . 19957 3 19 . 3 3 3 3 DG H1 H 1 12.941 0.04 . 1 . . . . 3 G H1 . 19957 3 20 . 3 3 3 3 DG H1' H 1 5.781 0.04 . 1 . . . . 3 G H1' . 19957 3 21 . 3 3 3 3 DG H2' H 1 3.105 0.04 . 1 . . . . 3 G H2' . 19957 3 22 . 3 3 3 3 DG H2'' H 1 2.814 0.04 . 1 . . . . 3 G H2'' . 19957 3 23 . 3 3 3 3 DG H8 H 1 7.618 0.04 . 1 . . . . 3 G H8 . 19957 3 24 . 3 3 4 4 DG H1 H 1 12.869 0.04 . 1 . . . . 4 G H1 . 19957 3 25 . 3 3 4 4 DG H1' H 1 5.964 0.04 . 1 . . . . 4 G H1' . 19957 3 26 . 3 3 4 4 DG H2' H 1 2.511 0.04 . 1 . . . . 4 G H2' . 19957 3 27 . 3 3 4 4 DG H2'' H 1 2.741 0.04 . 1 . . . . 4 G H2'' . 19957 3 28 . 3 3 4 4 DG H3' H 1 4.883 0.04 . 1 . . . . 4 G H3' . 19957 3 29 . 3 3 4 4 DG H5' H 1 4.216 0.04 . 1 . . . . 4 G H5' . 19957 3 30 . 3 3 4 4 DG H5'' H 1 4.362 0.04 . 1 . . . . 4 G H5'' . 19957 3 31 . 3 3 4 4 DG H8 H 1 7.809 0.04 . 1 . . . . 4 G H8 . 19957 3 32 . 3 3 5 5 DT H1' H 1 5.837 0.04 . 1 . . . . 5 T H1' . 19957 3 33 . 3 3 5 5 DT H2' H 1 2.080 0.04 . 1 . . . . 5 T H2' . 19957 3 34 . 3 3 5 5 DT H2'' H 1 2.443 0.04 . 1 . . . . 5 T H2'' . 19957 3 35 . 3 3 5 5 DT H3 H 1 13.448 0.04 . 1 . . . . 5 T H3 . 19957 3 36 . 3 3 5 5 DT H6 H 1 7.145 0.04 . 1 . . . . 5 T H6 . 19957 3 37 . 3 3 5 5 DT H71 H 1 1.257 0.04 . 1 . . . . 5 T H71 . 19957 3 38 . 3 3 5 5 DT H72 H 1 1.257 0.04 . 1 . . . . 5 T H72 . 19957 3 39 . 3 3 5 5 DT H73 H 1 1.257 0.04 . 1 . . . . 5 T H73 . 19957 3 40 . 3 3 6 6 DG H1 H 1 12.319 0.04 . 1 . . . . 6 G H1 . 19957 3 41 . 3 3 6 6 DG H1' H 1 5.964 0.04 . 1 . . . . 6 G H1' . 19957 3 42 . 3 3 6 6 DG H2' H 1 2.737 0.04 . 1 . . . . 6 G H2' . 19957 3 43 . 3 3 6 6 DG H2'' H 1 2.507 0.04 . 1 . . . . 6 G H2'' . 19957 3 44 . 3 3 6 6 DG H8 H 1 7.732 0.04 . 1 . . . . 6 G H8 . 19957 3 45 . 3 3 7 7 DT H1' H 1 5.947 0.04 . 1 . . . . 7 T H1' . 19957 3 46 . 3 3 7 7 DT H2' H 1 2.244 0.04 . 1 . . . . 7 T H2' . 19957 3 47 . 3 3 7 7 DT H2'' H 1 2.555 0.04 . 1 . . . . 7 T H2'' . 19957 3 48 . 3 3 7 7 DT H3 H 1 13.414 0.04 . 1 . . . . 7 T H3 . 19957 3 49 . 3 3 7 7 DT H3' H 1 4.930 0.04 . 1 . . . . 7 T H3' . 19957 3 50 . 3 3 7 7 DT H5' H 1 4.204 0.04 . 1 . . . . 7 T H5' . 19957 3 51 . 3 3 7 7 DT H5'' H 1 4.204 0.04 . 1 . . . . 7 T H5'' . 19957 3 52 . 3 3 7 7 DT H6 H 1 7.305 0.04 . 1 . . . . 7 T H6 . 19957 3 53 . 3 3 7 7 DT H71 H 1 1.229 0.04 . 1 . . . . 7 T H71 . 19957 3 54 . 3 3 7 7 DT H72 H 1 1.229 0.04 . 1 . . . . 7 T H72 . 19957 3 55 . 3 3 7 7 DT H73 H 1 1.229 0.04 . 1 . . . . 7 T H73 . 19957 3 56 . 3 3 8 8 DG H1 H 1 12.318 0.04 . 1 . . . . 8 G H1 . 19957 3 57 . 3 3 8 8 DG H1' H 1 5.964 0.04 . 1 . . . . 8 G H1' . 19957 3 58 . 3 3 8 8 DG H2' H 1 2.740 0.04 . 1 . . . . 8 G H2' . 19957 3 59 . 3 3 8 8 DG H2'' H 1 2.509 0.04 . 1 . . . . 8 G H2'' . 19957 3 60 . 3 3 8 8 DG H3' H 1 4.896 0.04 . 1 . . . . 8 G H3' . 19957 3 61 . 3 3 8 8 DG H5' H 1 4.205 0.04 . 1 . . . . 8 G H5' . 19957 3 62 . 3 3 8 8 DG H5'' H 1 4.362 0.04 . 1 . . . . 8 G H5'' . 19957 3 63 . 3 3 8 8 DG H8 H 1 7.738 0.04 . 1 . . . . 8 G H8 . 19957 3 64 . 3 3 9 9 DT H1' H 1 5.839 0.04 . 1 . . . . 9 T H1' . 19957 3 65 . 3 3 9 9 DT H2' H 1 2.062 0.04 . 1 . . . . 9 T H2' . 19957 3 66 . 3 3 9 9 DT H2'' H 1 2.445 0.04 . 1 . . . . 9 T H2'' . 19957 3 67 . 3 3 9 9 DT H3 H 1 13.511 0.04 . 1 . . . . 9 T H3 . 19957 3 68 . 3 3 9 9 DT H6 H 1 7.145 0.04 . 1 . . . . 9 T H6 . 19957 3 69 . 3 3 9 9 DT H71 H 1 1.266 0.04 . 1 . . . . 9 T H71 . 19957 3 70 . 3 3 9 9 DT H72 H 1 1.266 0.04 . 1 . . . . 9 T H72 . 19957 3 71 . 3 3 9 9 DT H73 H 1 1.266 0.04 . 1 . . . . 9 T H73 . 19957 3 72 . 3 3 10 10 DG H1 H 1 12.260 0.04 . 1 . . . . 10 G H1 . 19957 3 73 . 3 3 10 10 DG H1' H 1 5.949 0.04 . 1 . . . . 10 G H1' . 19957 3 74 . 3 3 10 10 DG H2' H 1 2.511 0.04 . 1 . . . . 10 G H2' . 19957 3 75 . 3 3 10 10 DG H2'' H 1 2.751 0.04 . 1 . . . . 10 G H2'' . 19957 3 76 . 3 3 10 10 DG H3' H 1 4.901 0.04 . 1 . . . . 10 G H3' . 19957 3 77 . 3 3 10 10 DG H5' H 1 4.363 0.04 . 1 . . . . 10 G H5' . 19957 3 78 . 3 3 10 10 DG H5'' H 1 4.204 0.04 . 1 . . . . 10 G H5'' . 19957 3 79 . 3 3 10 10 DG H8 H 1 7.814 0.04 . 1 . . . . 10 G H8 . 19957 3 80 . 3 3 11 11 DT H1' H 1 6.147 0.04 . 1 . . . . 11 T H1' . 19957 3 81 . 3 3 11 11 DT H2' H 1 2.258 0.04 . 1 . . . . 11 T H2' . 19957 3 82 . 3 3 11 11 DT H2'' H 1 2.659 0.04 . 1 . . . . 11 T H2'' . 19957 3 83 . 3 3 11 11 DT H3 H 1 14.253 0.04 . 1 . . . . 11 T H3 . 19957 3 84 . 3 3 11 11 DT H6 H 1 7.286 0.04 . 1 . . . . 11 T H6 . 19957 3 85 . 3 3 11 11 DT H71 H 1 1.146 0.04 . 1 . . . . 11 T H71 . 19957 3 86 . 3 3 11 11 DT H72 H 1 1.146 0.04 . 1 . . . . 11 T H72 . 19957 3 87 . 3 3 11 11 DT H73 H 1 1.146 0.04 . 1 . . . . 11 T H73 . 19957 3 88 . 3 3 12 12 DT H1' H 1 6.277 0.04 . 1 . . . . 12 T H1' . 19957 3 89 . 3 3 12 12 DT H2' H 1 2.712 0.04 . 1 . . . . 12 T H2' . 19957 3 90 . 3 3 12 12 DT H2'' H 1 2.290 0.04 . 1 . . . . 12 T H2'' . 19957 3 91 . 3 3 12 12 DT H3 H 1 14.035 0.04 . 1 . . . . 12 T H3 . 19957 3 92 . 3 3 12 12 DT H3' H 1 4.982 0.04 . 1 . . . . 12 T H3' . 19957 3 93 . 3 3 12 12 DT H5'' H 1 4.092 0.04 . 1 . . . . 12 T H5'' . 19957 3 94 . 3 3 12 12 DT H6 H 1 7.509 0.04 . 1 . . . . 12 T H6 . 19957 3 95 . 3 3 12 12 DT H71 H 1 1.575 0.04 . 1 . . . . 12 T H71 . 19957 3 96 . 3 3 12 12 DT H72 H 1 1.575 0.04 . 1 . . . . 12 T H72 . 19957 3 97 . 3 3 12 12 DT H73 H 1 1.575 0.04 . 1 . . . . 12 T H73 . 19957 3 98 . 3 3 13 13 DT H1' H 1 6.277 0.04 . 1 . . . . 13 T H1' . 19957 3 99 . 3 3 13 13 DT H2' H 1 2.705 0.04 . 1 . . . . 13 T H2' . 19957 3 100 . 3 3 13 13 DT H3 H 1 13.942 0.04 . 1 . . . . 13 T H3 . 19957 3 101 . 3 3 13 13 DT H3' H 1 4.984 0.04 . 1 . . . . 13 T H3' . 19957 3 102 . 3 3 13 13 DT H5'' H 1 4.387 0.04 . 1 . . . . 13 T H5'' . 19957 3 103 . 3 3 13 13 DT H6 H 1 7.521 0.04 . 1 . . . . 13 T H6 . 19957 3 104 . 3 3 13 13 DT H71 H 1 1.701 0.04 . 1 . . . . 13 T H71 . 19957 3 105 . 3 3 13 13 DT H72 H 1 1.701 0.04 . 1 . . . . 13 T H72 . 19957 3 106 . 3 3 13 13 DT H73 H 1 1.701 0.04 . 1 . . . . 13 T H73 . 19957 3 107 . 3 3 14 14 DT H1' H 1 6.274 0.04 . 1 . . . . 14 T H1' . 19957 3 108 . 3 3 14 14 DT H2' H 1 2.718 0.04 . 1 . . . . 14 T H2' . 19957 3 109 . 3 3 14 14 DT H2'' H 1 2.259 0.04 . 1 . . . . 14 T H2'' . 19957 3 110 . 3 3 14 14 DT H3 H 1 14.037 0.04 . 1 . . . . 14 T H3 . 19957 3 111 . 3 3 14 14 DT H3' H 1 4.982 0.04 . 1 . . . . 14 T H3' . 19957 3 112 . 3 3 14 14 DT H5'' H 1 4.221 0.04 . 1 . . . . 14 T H5'' . 19957 3 113 . 3 3 14 14 DT H6 H 1 7.524 0.04 . 1 . . . . 14 T H6 . 19957 3 114 . 3 3 14 14 DT H71 H 1 1.699 0.04 . 1 . . . . 14 T H71 . 19957 3 115 . 3 3 14 14 DT H72 H 1 1.699 0.04 . 1 . . . . 14 T H72 . 19957 3 116 . 3 3 14 14 DT H73 H 1 1.699 0.04 . 1 . . . . 14 T H73 . 19957 3 117 . 3 3 15 15 DT H1' H 1 6.332 0.04 . 1 . . . . 15 T H1' . 19957 3 118 . 3 3 15 15 DT H2' H 1 2.319 0.04 . 1 . . . . 15 T H2' . 19957 3 119 . 3 3 15 15 DT H2'' H 1 2.316 0.04 . 1 . . . . 15 T H2'' . 19957 3 120 . 3 3 15 15 DT H3 H 1 14.076 0.04 . 1 . . . . 15 T H3 . 19957 3 121 . 3 3 15 15 DT H3' H 1 4.660 0.04 . 1 . . . . 15 T H3' . 19957 3 122 . 3 3 15 15 DT H4' H 1 4.283 0.04 . 1 . . . . 15 T H4' . 19957 3 123 . 3 3 15 15 DT H5' H 1 4.089 0.04 . 1 . . . . 15 T H5' . 19957 3 124 . 3 3 15 15 DT H5'' H 1 4.089 0.04 . 1 . . . . 15 T H5'' . 19957 3 125 . 3 3 15 15 DT H6 H 1 7.516 0.04 . 1 . . . . 15 T H6 . 19957 3 126 . 3 3 15 15 DT H71 H 1 1.744 0.04 . 1 . . . . 15 T H71 . 19957 3 127 . 3 3 15 15 DT H72 H 1 1.744 0.04 . 1 . . . . 15 T H72 . 19957 3 128 . 3 3 15 15 DT H73 H 1 1.744 0.04 . 1 . . . . 15 T H73 . 19957 3 stop_ save_