################################### # 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 15879 _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-1H TOCSY' . . . 15879 1 2 '2D 1H-1H NOESY' . . . 15879 1 3 '2D DQF-COSY' . . . 15879 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 GLN HA H 1 4.431 . . 1 . . . . 2 GLN HA . 15879 1 2 . 1 1 2 2 GLN CA C 13 55.356 . . 1 . . . . 2 GLN CA . 15879 1 3 . 1 1 3 3 GLN H H 1 8.498 . . 1 . . . . 3 GLN HN . 15879 1 4 . 1 1 3 3 GLN HA H 1 4.389 . . 1 . . . . 3 GLN HA . 15879 1 5 . 1 1 3 3 GLN HB2 H 1 2.041 . . . . . . . 3 GLN HB1 . 15879 1 6 . 1 1 3 3 GLN HB3 H 1 1.973 . . . . . . . 3 GLN HB2 . 15879 1 7 . 1 1 3 3 GLN HG2 H 1 2.337 . . . . . . . 3 GLN HG# . 15879 1 8 . 1 1 3 3 GLN HG3 H 1 2.337 . . . . . . . 3 GLN HG# . 15879 1 9 . 1 1 3 3 GLN CA C 13 56.006 . . 1 . . . . 3 GLN CA . 15879 1 10 . 1 1 4 4 TYR H H 1 8.236 . . 1 . . . . 4 TYR HN . 15879 1 11 . 1 1 4 4 TYR HA H 1 4.599 . . 1 . . . . 4 TYR HA . 15879 1 12 . 1 1 4 4 TYR HB2 H 1 3.055 . . . . . . . 4 TYR HB1 . 15879 1 13 . 1 1 4 4 TYR HB3 H 1 2.974 . . . . . . . 4 TYR HB2 . 15879 1 14 . 1 1 4 4 TYR HD1 H 1 7.061 . . . . . . . 4 TYR HD# . 15879 1 15 . 1 1 4 4 TYR HD2 H 1 7.061 . . . . . . . 4 TYR HD# . 15879 1 16 . 1 1 4 4 TYR HE1 H 1 6.804 . . . . . . . 4 TYR HE# . 15879 1 17 . 1 1 4 4 TYR HE2 H 1 6.804 . . . . . . . 4 TYR HE# . 15879 1 18 . 1 1 5 5 THR H H 1 7.881 . . 1 . . . . 5 THR HN . 15879 1 19 . 1 1 5 5 THR HA H 1 4.216 . . 1 . . . . 5 THR HA . 15879 1 20 . 1 1 5 5 THR HB H 1 4.144 . . 1 . . . . 5 THR HB . 15879 1 21 . 1 1 5 5 THR HG21 H 1 1.128 . . . . . . . 5 THR HG2# . 15879 1 22 . 1 1 5 5 THR HG22 H 1 1.128 . . . . . . . 5 THR HG2# . 15879 1 23 . 1 1 5 5 THR HG23 H 1 1.128 . . . . . . . 5 THR HG2# . 15879 1 24 . 1 1 5 5 THR CA C 13 62.394 . . 1 . . . . 5 THR CA . 15879 1 25 . 1 1 6 6 ALA H H 1 7.992 . . 1 . . . . 6 ALA HN . 15879 1 26 . 1 1 6 6 ALA HA H 1 4.332 . . 1 . . . . 6 ALA HA . 15879 1 27 . 1 1 6 6 ALA HB1 H 1 1.339 . . . . . . . 6 ALA HB# . 15879 1 28 . 1 1 6 6 ALA HB2 H 1 1.339 . . . . . . . 6 ALA HB# . 15879 1 29 . 1 1 6 6 ALA HB3 H 1 1.339 . . . . . . . 6 ALA HB# . 15879 1 30 . 1 1 6 6 ALA CA C 13 52.838 . . 1 . . . . 6 ALA CA . 15879 1 31 . 1 1 7 7 NAL H1 H 1 7.650 . . . . . . . 7 NAL H1 . 15879 1 32 . 1 1 7 7 NAL H3 H 1 7.308 . . . . . . . 7 NAL H3 . 15879 1 33 . 1 1 7 7 NAL H4 H 1 7.754 . . . . . . . 7 NAL H4 . 15879 1 34 . 1 1 7 7 NAL H8 H 1 7.754 . . . . . . . 7 NAL H8 . 15879 1 35 . 1 1 7 7 NAL H10 H 1 4.781 . . . . . . . 7 NAL HA . 15879 1 36 . 1 1 7 7 NAL H91 H 1 3.273 . . . . . . . 7 NAL HB# . 15879 1 37 . 1 1 7 7 NAL H92 H 1 3.273 . . . . . . . 7 NAL HB# . 15879 1 38 . 1 1 7 7 NAL H H 1 7.992 . . 1 . . . . 7 NAL HN . 15879 1 39 . 1 1 7 7 NAL C10 C 13 58.007 . . . . . . . 7 NAL CA . 15879 1 40 . 1 1 8 8 ILE H H 1 7.747 . . 1 . . . . 8 ILE HN . 15879 1 41 . 1 1 8 8 ILE HA H 1 4.166 . . 1 . . . . 8 ILE HA . 15879 1 42 . 1 1 8 8 ILE HB H 1 1.800 . . 1 . . . . 8 ILE HB . 15879 1 43 . 1 1 8 8 ILE HD11 H 1 0.724 . . . . . . . 8 ILE HD1# . 15879 1 44 . 1 1 8 8 ILE HD12 H 1 0.724 . . . . . . . 8 ILE HD1# . 15879 1 45 . 1 1 8 8 ILE HD13 H 1 0.724 . . . . . . . 8 ILE HD1# . 15879 1 46 . 1 1 8 8 ILE HG12 H 1 1.361 . . . . . . . 8 ILE HG11 . 15879 1 47 . 1 1 8 8 ILE HG13 H 1 1.058 . . . . . . . 8 ILE HG12 . 15879 1 48 . 1 1 8 8 ILE HG21 H 1 0.823 . . . . . . . 8 ILE HG2# . 15879 1 49 . 1 1 8 8 ILE HG22 H 1 0.823 . . . . . . . 8 ILE HG2# . 15879 1 50 . 1 1 8 8 ILE HG23 H 1 0.823 . . . . . . . 8 ILE HG2# . 15879 1 51 . 1 1 8 8 ILE CA C 13 60.997 . . 1 . . . . 8 ILE CA . 15879 1 52 . 1 1 9 9 LYS H H 1 8.044 . . 1 . . . . 9 LYS HN . 15879 1 53 . 1 1 9 9 LYS HA H 1 4.143 . . 1 . . . . 9 LYS HA . 15879 1 54 . 1 1 9 9 LYS HB2 H 1 1.847 . . . . . . . 9 LYS HB1 . 15879 1 55 . 1 1 9 9 LYS HB3 H 1 1.763 . . . . . . . 9 LYS HB2 . 15879 1 56 . 1 1 9 9 LYS HD2 H 1 1.714 . . . . . . . 9 LYS HD# . 15879 1 57 . 1 1 9 9 LYS HD3 H 1 1.714 . . . . . . . 9 LYS HD# . 15879 1 58 . 1 1 9 9 LYS HE2 H 1 3.015 . . . . . . . 9 LYS HE# . 15879 1 59 . 1 1 9 9 LYS HE3 H 1 3.015 . . . . . . . 9 LYS HE# . 15879 1 60 . 1 1 9 9 LYS HG2 H 1 1.458 . . . . . . . 9 LYS HG1 . 15879 1 61 . 1 1 9 9 LYS HG3 H 1 1.418 . . . . . . . 9 LYS HG2 . 15879 1 62 . 1 1 9 9 LYS CA C 13 56.732 . . 1 . . . . 9 LYS CA . 15879 1 63 . 1 1 10 10 GLY H H 1 8.197 . . 1 . . . . 10 GLY HN . 15879 1 64 . 1 1 10 10 GLY HA2 H 1 4.015 . . . . . . . 10 GLY HA1 . 15879 1 65 . 1 1 10 10 GLY HA3 H 1 3.854 . . . . . . . 10 GLY HA2 . 15879 1 66 . 1 1 10 10 GLY CA C 13 45.352 . . 1 . . . . 10 GLY CA . 15879 1 67 . 1 1 11 11 ARG H H 1 7.769 . . 1 . . . . 11 ARG HN . 15879 1 68 . 1 1 11 11 ARG HA H 1 4.357 . . 1 . . . . 11 ARG HA . 15879 1 69 . 1 1 11 11 ARG HB2 H 1 1.575 . . . . . . . 11 ARG HB# . 15879 1 70 . 1 1 11 11 ARG HB3 H 1 1.575 . . . . . . . 11 ARG HB# . 15879 1 71 . 1 1 11 11 ARG HD2 H 1 2.910 . . . . . . . 11 ARG HD# . 15879 1 72 . 1 1 11 11 ARG HD3 H 1 2.910 . . . . . . . 11 ARG HD# . 15879 1 73 . 1 1 11 11 ARG HE H 1 6.975 . . 1 . . . . 11 ARG HE . 15879 1 74 . 1 1 11 11 ARG HG2 H 1 1.333 . . . . . . . 11 ARG HG# . 15879 1 75 . 1 1 11 11 ARG HG3 H 1 1.333 . . . . . . . 11 ARG HG# . 15879 1 76 . 1 1 11 11 ARG CA C 13 55.356 . . 1 . . . . 11 ARG CA . 15879 1 77 . 1 1 12 12 THR H H 1 7.891 . . 1 . . . . 12 THR HN . 15879 1 78 . 1 1 12 12 THR HA H 1 4.352 . . 1 . . . . 12 THR HA . 15879 1 79 . 1 1 12 12 THR HB H 1 4.000 . . 1 . . . . 12 THR HB . 15879 1 80 . 1 1 12 12 THR HG21 H 1 1.050 . . . . . . . 12 THR HG2# . 15879 1 81 . 1 1 12 12 THR HG22 H 1 1.050 . . . . . . . 12 THR HG2# . 15879 1 82 . 1 1 12 12 THR HG23 H 1 1.050 . . . . . . . 12 THR HG2# . 15879 1 83 . 1 1 12 12 THR CA C 13 61.230 . . 1 . . . . 12 THR CA . 15879 1 84 . 1 1 13 13 PHE H H 1 8.194 . . 1 . . . . 13 PHE HN . 15879 1 85 . 1 1 13 13 PHE HA H 1 4.806 . . 1 . . . . 13 PHE HA . 15879 1 86 . 1 1 13 13 PHE HB2 H 1 3.159 . . . . . . . 13 PHE HB1 . 15879 1 87 . 1 1 13 13 PHE HB3 H 1 2.908 . . . . . . . 13 PHE HB2 . 15879 1 88 . 1 1 13 13 PHE HD1 H 1 7.147 . . . . . . . 13 PHE HD# . 15879 1 89 . 1 1 13 13 PHE HD2 H 1 7.147 . . . . . . . 13 PHE HD# . 15879 1 90 . 1 1 13 13 PHE HE1 H 1 6.939 . . . . . . . 13 PHE HE# . 15879 1 91 . 1 1 13 13 PHE HE2 H 1 6.939 . . . . . . . 13 PHE HE# . 15879 1 92 . 1 1 13 13 PHE HZ H 1 6.347 . . 1 . . . . 13 PHE HZ . 15879 1 93 . 1 1 13 13 PHE CA C 13 56.923 . . 1 . . . . 13 PHE CA . 15879 1 94 . 1 1 14 14 ARG H H 1 9.143 . . 1 . . . . 14 ARG HN . 15879 1 95 . 1 1 14 14 ARG HA H 1 4.285 . . 1 . . . . 14 ARG HA . 15879 1 96 . 1 1 14 14 ARG HB2 H 1 1.947 . . . . . . . 14 ARG HB1 . 15879 1 97 . 1 1 14 14 ARG HB3 H 1 1.857 . . . . . . . 14 ARG HB2 . 15879 1 98 . 1 1 14 14 ARG HD2 H 1 3.271 . . . . . . . 14 ARG HD# . 15879 1 99 . 1 1 14 14 ARG HD3 H 1 3.271 . . . . . . . 14 ARG HD# . 15879 1 100 . 1 1 14 14 ARG HG2 H 1 1.836 . . . . . . . 14 ARG HG1 . 15879 1 101 . 1 1 14 14 ARG HG3 H 1 1.790 . . . . . . . 14 ARG HG2 . 15879 1 102 . 1 1 14 14 ARG CA C 13 57.406 . . 1 . . . . 14 ARG CA . 15879 1 103 . 1 1 15 15 ASN H H 1 7.696 . . 1 . . . . 15 ASN HN . 15879 1 104 . 1 1 15 15 ASN HA H 1 4.724 . . 1 . . . . 15 ASN HA . 15879 1 105 . 1 1 15 15 ASN HB2 H 1 3.225 . . . . . . . 15 ASN HB1 . 15879 1 106 . 1 1 15 15 ASN HB3 H 1 3.100 . . . . . . . 15 ASN HB2 . 15879 1 107 . 1 1 15 15 ASN HD21 H 1 7.574 . . . . . . . 15 ASN HD21 . 15879 1 108 . 1 1 15 15 ASN HD22 H 1 6.895 . . . . . . . 15 ASN HD22 . 15879 1 109 . 1 1 16 16 GLU H H 1 8.884 . . 1 . . . . 16 GLU HN . 15879 1 110 . 1 1 16 16 GLU HA H 1 3.998 . . 1 . . . . 16 GLU HA . 15879 1 111 . 1 1 16 16 GLU HB2 H 1 2.130 . . . . . . . 16 GLU HB# . 15879 1 112 . 1 1 16 16 GLU HB3 H 1 2.130 . . . . . . . 16 GLU HB# . 15879 1 113 . 1 1 16 16 GLU HG2 H 1 2.383 . . . . . . . 16 GLU HG# . 15879 1 114 . 1 1 16 16 GLU HG3 H 1 2.383 . . . . . . . 16 GLU HG# . 15879 1 115 . 1 1 16 16 GLU CA C 13 59.272 . . 1 . . . . 16 GLU CA . 15879 1 116 . 1 1 17 17 LYS H H 1 8.121 . . 1 . . . . 17 LYS HN . 15879 1 117 . 1 1 17 17 LYS HA H 1 4.035 . . 1 . . . . 17 LYS HA . 15879 1 118 . 1 1 17 17 LYS HB2 H 1 1.938 . . . . . . . 17 LYS HB# . 15879 1 119 . 1 1 17 17 LYS HB3 H 1 1.938 . . . . . . . 17 LYS HB# . 15879 1 120 . 1 1 17 17 LYS HE2 H 1 3.093 . . . . . . . 17 LYS HE# . 15879 1 121 . 1 1 17 17 LYS HE3 H 1 3.093 . . . . . . . 17 LYS HE# . 15879 1 122 . 1 1 17 17 LYS HG2 H 1 1.513 . . . . . . . 17 LYS HG# . 15879 1 123 . 1 1 17 17 LYS HG3 H 1 1.513 . . . . . . . 17 LYS HG# . 15879 1 124 . 1 1 17 17 LYS CA C 13 59.341 . . 1 . . . . 17 LYS CA . 15879 1 125 . 1 1 18 18 GLU H H 1 8.173 . . 1 . . . . 18 GLU HN . 15879 1 126 . 1 1 18 18 GLU HA H 1 4.228 . . 1 . . . . 18 GLU HA . 15879 1 127 . 1 1 18 18 GLU HB2 H 1 2.343 . . . . . . . 18 GLU HB1 . 15879 1 128 . 1 1 18 18 GLU HB3 H 1 2.245 . . . . . . . 18 GLU HB2 . 15879 1 129 . 1 1 18 18 GLU HG2 H 1 2.682 . . . . . . . 18 GLU HG1 . 15879 1 130 . 1 1 18 18 GLU HG3 H 1 2.504 . . . . . . . 18 GLU HG2 . 15879 1 131 . 1 1 18 18 GLU CA C 13 59.143 . . 1 . . . . 18 GLU CA . 15879 1 132 . 1 1 19 19 LEU H H 1 7.383 . . 1 . . . . 19 LEU HN . 15879 1 133 . 1 1 19 19 LEU HA H 1 3.646 . . 1 . . . . 19 LEU HA . 15879 1 134 . 1 1 19 19 LEU HB2 H 1 1.817 . . . . . . . 19 LEU HB1 . 15879 1 135 . 1 1 19 19 LEU HB3 H 1 1.350 . . . . . . . 19 LEU HB2 . 15879 1 136 . 1 1 19 19 LEU HD11 H 1 0.674 . . . . . . . 19 LEU HD1# . 15879 1 137 . 1 1 19 19 LEU HD12 H 1 0.674 . . . . . . . 19 LEU HD1# . 15879 1 138 . 1 1 19 19 LEU HD13 H 1 0.674 . . . . . . . 19 LEU HD1# . 15879 1 139 . 1 1 19 19 LEU HD21 H 1 0.482 . . . . . . . 19 LEU HD2# . 15879 1 140 . 1 1 19 19 LEU HD22 H 1 0.482 . . . . . . . 19 LEU HD2# . 15879 1 141 . 1 1 19 19 LEU HD23 H 1 0.482 . . . . . . . 19 LEU HD2# . 15879 1 142 . 1 1 19 19 LEU HG H 1 1.209 . . 1 . . . . 19 LEU HG . 15879 1 143 . 1 1 19 19 LEU CA C 13 57.594 . . 1 . . . . 19 LEU CA . 15879 1 144 . 1 1 20 20 ARG H H 1 8.353 . . 1 . . . . 20 ARG HN . 15879 1 145 . 1 1 20 20 ARG HA H 1 3.854 . . 1 . . . . 20 ARG HA . 15879 1 146 . 1 1 20 20 ARG HB2 H 1 1.993 . . . . . . . 20 ARG HB# . 15879 1 147 . 1 1 20 20 ARG HB3 H 1 1.993 . . . . . . . 20 ARG HB# . 15879 1 148 . 1 1 20 20 ARG HD2 H 1 3.188 . . . . . . . 20 ARG HD# . 15879 1 149 . 1 1 20 20 ARG HD3 H 1 3.188 . . . . . . . 20 ARG HD# . 15879 1 150 . 1 1 20 20 ARG HG2 H 1 1.775 . . . . . . . 20 ARG HG1 . 15879 1 151 . 1 1 20 20 ARG HG3 H 1 1.625 . . . . . . . 20 ARG HG2 . 15879 1 152 . 1 1 20 20 ARG CA C 13 59.831 . . 1 . . . . 20 ARG CA . 15879 1 153 . 1 1 21 21 ASP H H 1 8.481 . . 1 . . . . 21 ASP HN . 15879 1 154 . 1 1 21 21 ASP HA H 1 4.395 . . 1 . . . . 21 ASP HA . 15879 1 155 . 1 1 21 21 ASP HB2 H 1 2.881 . . . . . . . 21 ASP HB1 . 15879 1 156 . 1 1 21 21 ASP HB3 H 1 2.730 . . . . . . . 21 ASP HB2 . 15879 1 157 . 1 1 21 21 ASP CA C 13 57.083 . . 1 . . . . 21 ASP CA . 15879 1 158 . 1 1 22 22 PHE H H 1 7.803 . . 1 . . . . 22 PHE HN . 15879 1 159 . 1 1 22 22 PHE HA H 1 4.315 . . 1 . . . . 22 PHE HA . 15879 1 160 . 1 1 22 22 PHE HB2 H 1 3.368 . . . . . . . 22 PHE HB1 . 15879 1 161 . 1 1 22 22 PHE HB3 H 1 3.250 . . . . . . . 22 PHE HB2 . 15879 1 162 . 1 1 22 22 PHE HD1 H 1 7.152 . . . . . . . 22 PHE HD# . 15879 1 163 . 1 1 22 22 PHE HD2 H 1 7.152 . . . . . . . 22 PHE HD# . 15879 1 164 . 1 1 22 22 PHE HE1 H 1 6.945 . . . . . . . 22 PHE HE# . 15879 1 165 . 1 1 22 22 PHE HE2 H 1 6.945 . . . . . . . 22 PHE HE# . 15879 1 166 . 1 1 23 23 ILE H H 1 8.248 . . 1 . . . . 23 ILE HN . 15879 1 167 . 1 1 23 23 ILE HA H 1 3.406 . . 1 . . . . 23 ILE HA . 15879 1 168 . 1 1 23 23 ILE HB H 1 1.828 . . 1 . . . . 23 ILE HB . 15879 1 169 . 1 1 23 23 ILE HD11 H 1 0.484 . . . . . . . 23 ILE HD1# . 15879 1 170 . 1 1 23 23 ILE HD12 H 1 0.484 . . . . . . . 23 ILE HD1# . 15879 1 171 . 1 1 23 23 ILE HD13 H 1 0.484 . . . . . . . 23 ILE HD1# . 15879 1 172 . 1 1 23 23 ILE HG12 H 1 1.589 . . . . . . . 23 ILE HG11 . 15879 1 173 . 1 1 23 23 ILE HG13 H 1 1.000 . . . . . . . 23 ILE HG12 . 15879 1 174 . 1 1 23 23 ILE HG21 H 1 0.552 . . . . . . . 23 ILE HG2# . 15879 1 175 . 1 1 23 23 ILE HG22 H 1 0.552 . . . . . . . 23 ILE HG2# . 15879 1 176 . 1 1 23 23 ILE HG23 H 1 0.552 . . . . . . . 23 ILE HG2# . 15879 1 177 . 1 1 23 23 ILE CA C 13 64.236 . . 1 . . . . 23 ILE CA . 15879 1 178 . 1 1 24 24 GLU H H 1 8.306 . . 1 . . . . 24 GLU HN . 15879 1 179 . 1 1 24 24 GLU HA H 1 3.912 . . 1 . . . . 24 GLU HA . 15879 1 180 . 1 1 24 24 GLU HB2 H 1 2.176 . . . . . . . 24 GLU HB1 . 15879 1 181 . 1 1 24 24 GLU HB3 H 1 2.096 . . . . . . . 24 GLU HB2 . 15879 1 182 . 1 1 24 24 GLU HG2 H 1 2.507 . . . . . . . 24 GLU HG1 . 15879 1 183 . 1 1 24 24 GLU HG3 H 1 2.323 . . . . . . . 24 GLU HG2 . 15879 1 184 . 1 1 24 24 GLU CA C 13 59.215 . . 1 . . . . 24 GLU CA . 15879 1 185 . 1 1 25 25 LYS H H 1 7.605 . . 1 . . . . 25 LYS HN . 15879 1 186 . 1 1 25 25 LYS HA H 1 4.055 . . 1 . . . . 25 LYS HA . 15879 1 187 . 1 1 25 25 LYS HB2 H 1 1.738 . . . . . . . 25 LYS HB1 . 15879 1 188 . 1 1 25 25 LYS HB3 H 1 1.591 . . . . . . . 25 LYS HB2 . 15879 1 189 . 1 1 25 25 LYS HD2 H 1 1.738 . . . . . . . 25 LYS HD# . 15879 1 190 . 1 1 25 25 LYS HD3 H 1 1.738 . . . . . . . 25 LYS HD# . 15879 1 191 . 1 1 25 25 LYS HE2 H 1 2.950 . . . . . . . 25 LYS HE# . 15879 1 192 . 1 1 25 25 LYS HE3 H 1 2.950 . . . . . . . 25 LYS HE# . 15879 1 193 . 1 1 25 25 LYS HG2 H 1 1.407 . . . . . . . 25 LYS HG1 . 15879 1 194 . 1 1 25 25 LYS HG3 H 1 1.273 . . . . . . . 25 LYS HG2 . 15879 1 195 . 1 1 25 25 LYS CA C 13 58.116 . . 1 . . . . 25 LYS CA . 15879 1 196 . 1 1 26 26 PHE H H 1 7.885 . . 1 . . . . 26 PHE HN . 15879 1 197 . 1 1 26 26 PHE HA H 1 4.317 . . 1 . . . . 26 PHE HA . 15879 1 198 . 1 1 26 26 PHE HB2 H 1 2.886 . . . . . . . 26 PHE HB1 . 15879 1 199 . 1 1 26 26 PHE HB3 H 1 2.574 . . . . . . . 26 PHE HB2 . 15879 1 200 . 1 1 26 26 PHE HD1 H 1 6.959 . . . . . . . 26 PHE HD# . 15879 1 201 . 1 1 26 26 PHE HD2 H 1 6.959 . . . . . . . 26 PHE HD# . 15879 1 202 . 1 1 26 26 PHE HE1 H 1 5.821 . . . . . . . 26 PHE HE# . 15879 1 203 . 1 1 26 26 PHE HE2 H 1 5.821 . . . . . . . 26 PHE HE# . 15879 1 204 . 1 1 27 27 DNS H11A H 1 2.447 . . . . . . . 27 DNS H1# . 15879 1 205 . 1 1 27 27 DNS H12 H 1 2.447 . . . . . . . 27 DNS H1# . 15879 1 206 . 1 1 27 27 DNS H13 H 1 2.447 . . . . . . . 27 DNS H1# . 15879 1 207 . 1 1 27 27 DNS H21 H 1 2.447 . . . . . . . 27 DNS H2# . 15879 1 208 . 1 1 27 27 DNS H22 H 1 2.447 . . . . . . . 27 DNS H2# . 15879 1 209 . 1 1 27 27 DNS H23 H 1 2.447 . . . . . . . 27 DNS H2# . 15879 1 210 . 1 1 27 27 DNS H4 H 1 8.069 . . . . . . . 27 DNS H4 . 15879 1 211 . 1 1 27 27 DNS H5 H 1 7.198 . . . . . . . 27 DNS H5 . 15879 1 212 . 1 1 27 27 DNS H6 H 1 7.644 . . . . . . . 27 DNS H6 . 15879 1 213 . 1 1 27 27 DNS HZ H 1 6.953 . . . . . . . 27 DNS H6L . 15879 1 214 . 1 1 27 27 DNS H9 H 1 7.408 . . . . . . . 27 DNS H9 . 15879 1 215 . 1 1 27 27 DNS H10 H 1 7.292 . . . . . . . 27 DNS H10 . 15879 1 216 . 1 1 27 27 DNS HA H 1 4.165 . . . . . . . 27 DNS HA . 15879 1 217 . 1 1 27 27 DNS HB2 H 1 1.779 . . . . . . . 27 DNS HB1 . 15879 1 218 . 1 1 27 27 DNS HB3 H 1 1.706 . . . . . . . 27 DNS HB2 . 15879 1 219 . 1 1 27 27 DNS HD2 H 1 1.706 . . . . . . . 27 DNS HD# . 15879 1 220 . 1 1 27 27 DNS HD3 H 1 1.706 . . . . . . . 27 DNS HD# . 15879 1 221 . 1 1 27 27 DNS HE2 H 1 2.773 . . . . . . . 27 DNS HE# . 15879 1 222 . 1 1 27 27 DNS HE3 H 1 2.773 . . . . . . . 27 DNS HE# . 15879 1 223 . 1 1 27 27 DNS HG2 H 1 1.266 . . . . . . . 27 DNS HG1 . 15879 1 224 . 1 1 27 27 DNS HG3 H 1 1.133 . . . . . . . 27 DNS HG2 . 15879 1 225 . 1 1 27 27 DNS H H 1 7.846 . . 1 . . . . 27 DNS HN . 15879 1 226 . 1 1 27 27 DNS CA C 13 56.733 . . . . . . . 27 DNS CA . 15879 1 227 . 1 1 28 28 GLY H H 1 7.788 . . 1 . . . . 28 GLY HN . 15879 1 228 . 1 1 28 28 GLY HA2 H 1 3.985 . . . . . . . 28 GLY HA# . 15879 1 229 . 1 1 28 28 GLY HA3 H 1 3.985 . . . . . . . 28 GLY HA# . 15879 1 230 . 1 1 28 28 GLY CA C 13 45.405 . . 1 . . . . 28 GLY CA . 15879 1 231 . 1 1 29 29 ARG H H 1 7.647 . . 1 . . . . 29 ARG HN . 15879 1 232 . 1 1 29 29 ARG HA H 1 4.242 . . 1 . . . . 29 ARG HA . 15879 1 233 . 1 1 29 29 ARG HB2 H 1 1.900 . . . . . . . 29 ARG HB1 . 15879 1 234 . 1 1 29 29 ARG HB3 H 1 1.745 . . . . . . . 29 ARG HB2 . 15879 1 235 . 1 1 29 29 ARG HD2 H 1 3.199 . . . . . . . 29 ARG HD# . 15879 1 236 . 1 1 29 29 ARG HD3 H 1 3.199 . . . . . . . 29 ARG HD# . 15879 1 237 . 1 1 29 29 ARG HE H 1 7.217 . . 1 . . . . 29 ARG HE . 15879 1 238 . 1 1 29 29 ARG HG2 H 1 1.625 . . . . . . . 29 ARG HG# . 15879 1 239 . 1 1 29 29 ARG HG3 H 1 1.625 . . . . . . . 29 ARG HG# . 15879 1 stop_ save_