################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6750 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6750 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 1 1 LYS HA H 1 3.969 . . 1 . . . . 291 LYS HA . 6750 1 2 . 1 1 1 1 LYS HB2 H 1 1.866 . . 2 . . . . 291 LYS HB2 . 6750 1 3 . 1 1 1 1 LYS HG2 H 1 1.399 . . 2 . . . . 291 LYS HG2 . 6750 1 4 . 1 1 1 1 LYS HG3 H 1 1.456 . . 2 . . . . 291 LYS HG3 . 6750 1 5 . 1 1 1 1 LYS HE2 H 1 2.943 . . 2 . . . . 291 LYS HE2 . 6750 1 6 . 1 1 1 1 LYS CA C 13 55.628 . . 1 . . . . 291 LYS CA . 6750 1 7 . 1 1 1 1 LYS CB C 13 32.921 . . 1 . . . . 291 LYS CB . 6750 1 8 . 1 1 1 1 LYS CG C 13 23.990 . . 1 . . . . 291 LYS CG . 6750 1 9 . 1 1 1 1 LYS CE C 13 41.480 . . 1 . . . . 291 LYS CE . 6750 1 10 . 1 1 2 2 GLU HA H 1 4.275 . . 1 . . . . 292 GLU HA . 6750 1 11 . 1 1 2 2 GLU HB2 H 1 2.035 . . 2 . . . . 292 GLU HB2 . 6750 1 12 . 1 1 2 2 GLU HB3 H 1 1.900 . . 2 . . . . 292 GLU HB3 . 6750 1 13 . 1 1 2 2 GLU HG2 H 1 2.306 . . 2 . . . . 292 GLU HG2 . 6750 1 14 . 1 1 2 2 GLU CA C 13 56.766 . . 1 . . . . 292 GLU CA . 6750 1 15 . 1 1 2 2 GLU CB C 13 29.723 . . 1 . . . . 292 GLU CB . 6750 1 16 . 1 1 2 2 GLU CG C 13 35.941 . . 1 . . . . 292 GLU CG . 6750 1 17 . 1 1 3 3 LYS H H 1 8.751 . . 1 . . . . 293 LYS HN . 6750 1 18 . 1 1 3 3 LYS HA H 1 4.126 . . 1 . . . . 293 LYS HA . 6750 1 19 . 1 1 3 3 LYS HB2 H 1 1.858 . . 2 . . . . 293 LYS HB2 . 6750 1 20 . 1 1 3 3 LYS HG2 H 1 1.472 . . 2 . . . . 293 LYS HG2 . 6750 1 21 . 1 1 3 3 LYS HE2 H 1 3.017 . . 2 . . . . 293 LYS HE2 . 6750 1 22 . 1 1 3 3 LYS CA C 13 58.328 . . 1 . . . . 293 LYS CA . 6750 1 23 . 1 1 3 3 LYS CB C 13 32.503 . . 1 . . . . 293 LYS CB . 6750 1 24 . 1 1 3 3 LYS CG C 13 24.617 . . 1 . . . . 293 LYS CG . 6750 1 25 . 1 1 3 3 LYS CE C 13 41.793 . . 1 . . . . 293 LYS CE . 6750 1 26 . 1 1 3 3 LYS N N 15 124.770 . . 1 . . . . 293 LYS N . 6750 1 27 . 1 1 4 4 ARG H H 1 8.562 . . 1 . . . . 294 ARG HN . 6750 1 28 . 1 1 4 4 ARG HA H 1 4.222 . . 1 . . . . 294 ARG HA . 6750 1 29 . 1 1 4 4 ARG HB2 H 1 1.936 . . 2 . . . . 294 ARG HB2 . 6750 1 30 . 1 1 4 4 ARG HB3 H 1 1.906 . . 2 . . . . 294 ARG HB3 . 6750 1 31 . 1 1 4 4 ARG HG2 H 1 1.962 . . 2 . . . . 294 ARG HG2 . 6750 1 32 . 1 1 4 4 ARG HG3 H 1 1.755 . . 2 . . . . 294 ARG HG3 . 6750 1 33 . 1 1 4 4 ARG HD2 H 1 3.534 . . 2 . . . . 294 ARG HD2 . 6750 1 34 . 1 1 4 4 ARG HD3 H 1 3.257 . . 2 . . . . 294 ARG HD3 . 6750 1 35 . 1 1 4 4 ARG CA C 13 57.293 . . 1 . . . . 294 ARG CA . 6750 1 36 . 1 1 4 4 ARG CB C 13 29.979 . . 1 . . . . 294 ARG CB . 6750 1 37 . 1 1 4 4 ARG CG C 13 27.135 . . 1 . . . . 294 ARG CG . 6750 1 38 . 1 1 4 4 ARG CD C 13 42.865 . . 1 . . . . 294 ARG CD . 6750 1 39 . 1 1 4 4 ARG N N 15 119.038 . . 1 . . . . 294 ARG N . 6750 1 40 . 1 1 5 5 ILE H H 1 7.522 . . 1 . . . . 295 ILE HN . 6750 1 41 . 1 1 5 5 ILE HA H 1 3.585 . . 1 . . . . 295 ILE HA . 6750 1 42 . 1 1 5 5 ILE HB H 1 1.798 . . 1 . . . . 295 ILE HB . 6750 1 43 . 1 1 5 5 ILE HG12 H 1 1.143 . . 9 . . . . 295 ILE HG12 . 6750 1 44 . 1 1 5 5 ILE HG13 H 1 0.705 . . 9 . . . . 295 ILE HG13 . 6750 1 45 . 1 1 5 5 ILE HG21 H 1 0.802 . . 4 . . . . 295 ILE HG21 . 6750 1 46 . 1 1 5 5 ILE HG22 H 1 0.802 . . 4 . . . . 295 ILE HG21 . 6750 1 47 . 1 1 5 5 ILE HG23 H 1 0.802 . . 4 . . . . 295 ILE HG21 . 6750 1 48 . 1 1 5 5 ILE HD11 H 1 0.623 . . 1 . . . . 295 ILE QD1 . 6750 1 49 . 1 1 5 5 ILE HD12 H 1 0.623 . . 1 . . . . 295 ILE QD1 . 6750 1 50 . 1 1 5 5 ILE HD13 H 1 0.623 . . 1 . . . . 295 ILE QD1 . 6750 1 51 . 1 1 5 5 ILE CA C 13 64.634 . . 1 . . . . 295 ILE CA . 6750 1 52 . 1 1 5 5 ILE CB C 13 36.712 . . 1 . . . . 295 ILE CB . 6750 1 53 . 1 1 5 5 ILE CG1 C 13 29.336 . . 2 . . . . 295 ILE CG1 . 6750 1 54 . 1 1 5 5 ILE CG2 C 13 83.567 . . 2 . . . . 295 ILE CG2 . 6750 1 55 . 1 1 5 5 ILE CD1 C 13 12.499 . . 1 . . . . 295 ILE CD1 . 6750 1 56 . 1 1 5 5 ILE N N 15 118.392 . . 1 . . . . 295 ILE N . 6750 1 57 . 1 1 6 6 LYS H H 1 7.649 . . 1 . . . . 296 LYS HN . 6750 1 58 . 1 1 6 6 LYS HA H 1 4.127 . . 1 . . . . 296 LYS HA . 6750 1 59 . 1 1 6 6 LYS HB2 H 1 1.854 . . 2 . . . . 296 LYS HB2 . 6750 1 60 . 1 1 6 6 LYS HB3 H 1 1.960 . . 2 . . . . 296 LYS HB3 . 6750 1 61 . 1 1 6 6 LYS HG2 H 1 1.478 . . 2 . . . . 296 LYS HG2 . 6750 1 62 . 1 1 6 6 LYS HE2 H 1 2.936 . . 1 . . . . 296 LYS QE . 6750 1 63 . 1 1 6 6 LYS HE3 H 1 2.936 . . 1 . . . . 296 LYS QE . 6750 1 64 . 1 1 6 6 LYS CA C 13 58.594 . . 1 . . . . 296 LYS CA . 6750 1 65 . 1 1 6 6 LYS CB C 13 31.438 . . 1 . . . . 296 LYS CB . 6750 1 66 . 1 1 6 6 LYS CG C 13 24.530 . . 1 . . . . 296 LYS CG . 6750 1 67 . 1 1 6 6 LYS CE C 13 41.580 . . 1 . . . . 296 LYS CE . 6750 1 68 . 1 1 6 6 LYS N N 15 119.942 . . 1 . . . . 296 LYS N . 6750 1 69 . 1 1 7 7 GLU H H 1 7.952 . . 1 . . . . 297 GLU HN . 6750 1 70 . 1 1 7 7 GLU HA H 1 3.972 . . 1 . . . . 297 GLU HA . 6750 1 71 . 1 1 7 7 GLU HB2 H 1 2.243 . . 2 . . . . 297 GLU HB2 . 6750 1 72 . 1 1 7 7 GLU HB3 H 1 2.088 . . 2 . . . . 297 GLU HB3 . 6750 1 73 . 1 1 7 7 GLU HG2 H 1 2.448 . . 2 . . . . 297 GLU HG2 . 6750 1 74 . 1 1 7 7 GLU HG3 H 1 2.251 . . 2 . . . . 297 GLU HG3 . 6750 1 75 . 1 1 7 7 GLU CA C 13 59.367 . . 1 . . . . 297 GLU CA . 6750 1 76 . 1 1 7 7 GLU CB C 13 29.676 . . 1 . . . . 297 GLU CB . 6750 1 77 . 1 1 7 7 GLU CG C 13 36.408 . . 1 . . . . 297 GLU CG . 6750 1 78 . 1 1 7 7 GLU N N 15 117.993 . . 1 . . . . 297 GLU N . 6750 1 79 . 1 1 8 8 LEU H H 1 8.083 . . 1 . . . . 298 LEU HN . 6750 1 80 . 1 1 8 8 LEU HA H 1 4.144 . . 1 . . . . 298 LEU HA . 6750 1 81 . 1 1 8 8 LEU HB2 H 1 1.239 . . 2 . . . . 298 LEU HB2 . 6750 1 82 . 1 1 8 8 LEU HB3 H 1 2.243 . . 2 . . . . 298 LEU HB3 . 6750 1 83 . 1 1 8 8 LEU HG H 1 1.808 . . 1 . . . . 298 LEU HG . 6750 1 84 . 1 1 8 8 LEU HD11 H 1 0.943 . . 2 . . . . 298 LEU QD1 . 6750 1 85 . 1 1 8 8 LEU HD12 H 1 0.943 . . 2 . . . . 298 LEU QD1 . 6750 1 86 . 1 1 8 8 LEU HD13 H 1 0.943 . . 2 . . . . 298 LEU QD1 . 6750 1 87 . 1 1 8 8 LEU HD21 H 1 1.031 . . 2 . . . . 298 LEU QD2 . 6750 1 88 . 1 1 8 8 LEU HD22 H 1 1.031 . . 2 . . . . 298 LEU QD2 . 6750 1 89 . 1 1 8 8 LEU HD23 H 1 1.031 . . 2 . . . . 298 LEU QD2 . 6750 1 90 . 1 1 8 8 LEU CA C 13 57.790 . . 1 . . . . 298 LEU CA . 6750 1 91 . 1 1 8 8 LEU CB C 13 43.252 . . 1 . . . . 298 LEU CB . 6750 1 92 . 1 1 8 8 LEU CG C 13 27.494 . . 1 . . . . 298 LEU CG . 6750 1 93 . 1 1 8 8 LEU CD1 C 13 23.128 . . 2 . . . . 298 LEU CD1 . 6750 1 94 . 1 1 8 8 LEU CD2 C 13 25.816 . . 2 . . . . 298 LEU CD2 . 6750 1 95 . 1 1 8 8 LEU N N 15 121.341 . . 1 . . . . 298 LEU N . 6750 1 96 . 1 1 9 9 GLU H H 1 8.640 . . 1 . . . . 299 GLU HN . 6750 1 97 . 1 1 9 9 GLU HA H 1 3.701 . . 1 . . . . 299 GLU HA . 6750 1 98 . 1 1 9 9 GLU HB2 H 1 2.003 . . 2 . . . . 299 GLU HB2 . 6750 1 99 . 1 1 9 9 GLU HB3 H 1 2.379 . . 2 . . . . 299 GLU HB3 . 6750 1 100 . 1 1 9 9 GLU HG2 H 1 2.097 . . 2 . . . . 299 GLU HG2 . 6750 1 101 . 1 1 9 9 GLU HG3 H 1 2.512 . . 2 . . . . 299 GLU HG3 . 6750 1 102 . 1 1 9 9 GLU CA C 13 60.624 . . 1 . . . . 299 GLU CA . 6750 1 103 . 1 1 9 9 GLU CB C 13 29.639 . . 1 . . . . 299 GLU CB . 6750 1 104 . 1 1 9 9 GLU CG C 13 37.152 . . 1 . . . . 299 GLU CG . 6750 1 105 . 1 1 9 9 GLU N N 15 120.733 . . 1 . . . . 299 GLU N . 6750 1 106 . 1 1 10 10 LEU H H 1 7.854 . . 1 . . . . 300 LEU HN . 6750 1 107 . 1 1 10 10 LEU HA H 1 4.001 . . 1 . . . . 300 LEU HA . 6750 1 108 . 1 1 10 10 LEU HB2 H 1 1.843 . . 2 . . . . 300 LEU HB2 . 6750 1 109 . 1 1 10 10 LEU HB3 H 1 1.582 . . 2 . . . . 300 LEU HB3 . 6750 1 110 . 1 1 10 10 LEU HG H 1 1.782 . . 1 . . . . 300 LEU HG . 6750 1 111 . 1 1 10 10 LEU HD11 H 1 0.872 . . 2 . . . . 300 LEU QD1 . 6750 1 112 . 1 1 10 10 LEU HD12 H 1 0.872 . . 2 . . . . 300 LEU QD1 . 6750 1 113 . 1 1 10 10 LEU HD13 H 1 0.872 . . 2 . . . . 300 LEU QD1 . 6750 1 114 . 1 1 10 10 LEU HD21 H 1 0.902 . . 2 . . . . 300 LEU QD2 . 6750 1 115 . 1 1 10 10 LEU HD22 H 1 0.902 . . 2 . . . . 300 LEU QD2 . 6750 1 116 . 1 1 10 10 LEU HD23 H 1 0.902 . . 2 . . . . 300 LEU QD2 . 6750 1 117 . 1 1 10 10 LEU CA C 13 57.849 . . 1 . . . . 300 LEU CA . 6750 1 118 . 1 1 10 10 LEU CB C 13 41.373 . . 1 . . . . 300 LEU CB . 6750 1 119 . 1 1 10 10 LEU CG C 13 27.018 . . 1 . . . . 300 LEU CG . 6750 1 120 . 1 1 10 10 LEU CD1 C 13 23.301 . . 2 . . . . 300 LEU CD1 . 6750 1 121 . 1 1 10 10 LEU CD2 C 13 24.823 . . 2 . . . . 300 LEU CD2 . 6750 1 122 . 1 1 10 10 LEU N N 15 118.237 . . 1 . . . . 300 LEU N . 6750 1 123 . 1 1 11 11 LEU H H 1 7.964 . . 1 . . . . 301 LEU HN . 6750 1 124 . 1 1 11 11 LEU HA H 1 4.118 . . 1 . . . . 301 LEU HA . 6750 1 125 . 1 1 11 11 LEU HB2 H 1 1.838 . . 2 . . . . 301 LEU HB2 . 6750 1 126 . 1 1 11 11 LEU HB3 H 1 1.982 . . 2 . . . . 301 LEU HB3 . 6750 1 127 . 1 1 11 11 LEU HG H 1 1.613 . . 1 . . . . 301 LEU HG . 6750 1 128 . 1 1 11 11 LEU HD11 H 1 0.913 . . 2 . . . . 301 LEU QD1 . 6750 1 129 . 1 1 11 11 LEU HD12 H 1 0.913 . . 2 . . . . 301 LEU QD1 . 6750 1 130 . 1 1 11 11 LEU HD13 H 1 0.913 . . 2 . . . . 301 LEU QD1 . 6750 1 131 . 1 1 11 11 LEU HD21 H 1 0.945 . . 2 . . . . 301 LEU QD2 . 6750 1 132 . 1 1 11 11 LEU HD22 H 1 0.945 . . 2 . . . . 301 LEU QD2 . 6750 1 133 . 1 1 11 11 LEU HD23 H 1 0.945 . . 2 . . . . 301 LEU QD2 . 6750 1 134 . 1 1 11 11 LEU CA C 13 57.985 . . 1 . . . . 301 LEU CA . 6750 1 135 . 1 1 11 11 LEU CB C 13 41.834 . . 1 . . . . 301 LEU CB . 6750 1 136 . 1 1 11 11 LEU CG C 13 27.108 . . 1 . . . . 301 LEU CG . 6750 1 137 . 1 1 11 11 LEU CD1 C 13 24.543 . . 2 . . . . 301 LEU CD1 . 6750 1 138 . 1 1 11 11 LEU CD2 C 13 24.424 . . 2 . . . . 301 LEU CD2 . 6750 1 139 . 1 1 11 11 LEU N N 15 122.420 . . 1 . . . . 301 LEU N . 6750 1 140 . 1 1 12 12 LEU H H 1 8.375 . . 1 . . . . 302 LEU HN . 6750 1 141 . 1 1 12 12 LEU HA H 1 3.958 . . 1 . . . . 302 LEU HA . 6750 1 142 . 1 1 12 12 LEU HB2 H 1 2.107 . . 2 . . . . 302 LEU HB2 . 6750 1 143 . 1 1 12 12 LEU HB3 H 1 1.515 . . 2 . . . . 302 LEU HB3 . 6750 1 144 . 1 1 12 12 LEU HG H 1 2.089 . . 1 . . . . 302 LEU HG . 6750 1 145 . 1 1 12 12 LEU HD11 H 1 0.932 . . 2 . . . . 302 LEU QD1 . 6750 1 146 . 1 1 12 12 LEU HD12 H 1 0.932 . . 2 . . . . 302 LEU QD1 . 6750 1 147 . 1 1 12 12 LEU HD13 H 1 0.932 . . 2 . . . . 302 LEU QD1 . 6750 1 148 . 1 1 12 12 LEU HD21 H 1 0.773 . . 2 . . . . 302 LEU QD2 . 6750 1 149 . 1 1 12 12 LEU HD22 H 1 0.773 . . 2 . . . . 302 LEU QD2 . 6750 1 150 . 1 1 12 12 LEU HD23 H 1 0.773 . . 2 . . . . 302 LEU QD2 . 6750 1 151 . 1 1 12 12 LEU CA C 13 57.893 . . 1 . . . . 302 LEU CA . 6750 1 152 . 1 1 12 12 LEU CB C 13 41.692 . . 1 . . . . 302 LEU CB . 6750 1 153 . 1 1 12 12 LEU CG C 13 26.614 . . 1 . . . . 302 LEU CG . 6750 1 154 . 1 1 12 12 LEU CD1 C 13 27.017 . . 2 . . . . 302 LEU CD1 . 6750 1 155 . 1 1 12 12 LEU CD2 C 13 21.788 . . 2 . . . . 302 LEU CD2 . 6750 1 156 . 1 1 12 12 LEU N N 15 119.292 . . 1 . . . . 302 LEU N . 6750 1 157 . 1 1 13 13 MET H H 1 8.595 . . 1 . . . . 303 MET HN . 6750 1 158 . 1 1 13 13 MET HA H 1 3.559 . . 1 . . . . 303 MET HA . 6750 1 159 . 1 1 13 13 MET HB2 H 1 1.762 . . 2 . . . . 303 MET HB2 . 6750 1 160 . 1 1 13 13 MET HG2 H 1 2.167 . . 2 . . . . 303 MET HG2 . 6750 1 161 . 1 1 13 13 MET HG3 H 1 1.612 . . 2 . . . . 303 MET HG3 . 6750 1 162 . 1 1 13 13 MET HE1 H 1 1.984 . . 1 . . . . 303 MET QE . 6750 1 163 . 1 1 13 13 MET HE2 H 1 1.984 . . 1 . . . . 303 MET QE . 6750 1 164 . 1 1 13 13 MET HE3 H 1 1.984 . . 1 . . . . 303 MET QE . 6750 1 165 . 1 1 13 13 MET CA C 13 59.023 . . 1 . . . . 303 MET CA . 6750 1 166 . 1 1 13 13 MET CB C 13 32.641 . . 1 . . . . 303 MET CB . 6750 1 167 . 1 1 13 13 MET CG C 13 31.826 . . 1 . . . . 303 MET CG . 6750 1 168 . 1 1 13 13 MET CE C 13 17.037 . . 1 . . . . 303 MET CE . 6750 1 169 . 1 1 13 13 MET N N 15 120.334 . . 1 . . . . 303 MET N . 6750 1 170 . 1 1 14 14 SER H H 1 7.945 . . 1 . . . . 304 SER HN . 6750 1 171 . 1 1 14 14 SER HA H 1 4.304 . . 1 . . . . 304 SER HA . 6750 1 172 . 1 1 14 14 SER HB2 H 1 4.069 . . 2 . . . . 304 SER HB2 . 6750 1 173 . 1 1 14 14 SER CA C 13 61.028 . . 1 . . . . 304 SER CA . 6750 1 174 . 1 1 14 14 SER CB C 13 62.732 . . 1 . . . . 304 SER CB . 6750 1 175 . 1 1 14 14 SER N N 15 115.486 . . 1 . . . . 304 SER N . 6750 1 176 . 1 1 15 15 THR H H 1 7.796 . . 1 . . . . 305 THR HN . 6750 1 177 . 1 1 15 15 THR HA H 1 4.064 . . 1 . . . . 305 THR HA . 6750 1 178 . 1 1 15 15 THR HB H 1 4.191 . . 1 . . . . 305 THR HB . 6750 1 179 . 1 1 15 15 THR HG21 H 1 1.338 . . 1 . . . . 305 THR HG21 . 6750 1 180 . 1 1 15 15 THR HG22 H 1 1.338 . . 1 . . . . 305 THR HG21 . 6750 1 181 . 1 1 15 15 THR HG23 H 1 1.338 . . 1 . . . . 305 THR HG21 . 6750 1 182 . 1 1 15 15 THR CA C 13 65.157 . . 1 . . . . 305 THR CA . 6750 1 183 . 1 1 15 15 THR CB C 13 68.561 . . 1 . . . . 305 THR CB . 6750 1 184 . 1 1 15 15 THR CG2 C 13 22.695 . . 1 . . . . 305 THR CG2 . 6750 1 185 . 1 1 15 15 THR N N 15 118.271 . . 1 . . . . 305 THR N . 6750 1 186 . 1 1 16 16 GLU H H 1 7.882 . . 1 . . . . 306 GLU HN . 6750 1 187 . 1 1 16 16 GLU HA H 1 3.970 . . 1 . . . . 306 GLU HA . 6750 1 188 . 1 1 16 16 GLU HB2 H 1 2.071 . . 2 . . . . 306 GLU HB2 . 6750 1 189 . 1 1 16 16 GLU HB3 H 1 2.229 . . 2 . . . . 306 GLU HB3 . 6750 1 190 . 1 1 16 16 GLU HG2 H 1 2.741 . . 2 . . . . 306 GLU HG2 . 6750 1 191 . 1 1 16 16 GLU HG3 H 1 2.448 . . 2 . . . . 306 GLU HG3 . 6750 1 192 . 1 1 16 16 GLU CA C 13 59.096 . . 1 . . . . 306 GLU CA . 6750 1 193 . 1 1 16 16 GLU CB C 13 29.482 . . 1 . . . . 306 GLU CB . 6750 1 194 . 1 1 16 16 GLU CG C 13 36.558 . . 1 . . . . 306 GLU CG . 6750 1 195 . 1 1 16 16 GLU N N 15 118.194 . . 1 . . . . 306 GLU N . 6750 1 196 . 1 1 17 17 ASN H H 1 7.775 . . 1 . . . . 307 ASN HN . 6750 1 197 . 1 1 17 17 ASN HA H 1 4.661 . . 1 . . . . 307 ASN HA . 6750 1 198 . 1 1 17 17 ASN HB2 H 1 2.936 . . 2 . . . . 307 ASN HB2 . 6750 1 199 . 1 1 17 17 ASN HB3 H 1 2.895 . . 2 . . . . 307 ASN HB3 . 6750 1 200 . 1 1 17 17 ASN CA C 13 54.437 . . 1 . . . . 307 ASN CA . 6750 1 201 . 1 1 17 17 ASN CB C 13 38.266 . . 1 . . . . 307 ASN CB . 6750 1 202 . 1 1 17 17 ASN N N 15 116.222 . . 1 . . . . 307 ASN N . 6750 1 203 . 1 1 18 18 GLU H H 1 7.853 . . 1 . . . . 308 GLU HN . 6750 1 204 . 1 1 18 18 GLU HA H 1 4.227 . . 1 . . . . 308 GLU HA . 6750 1 205 . 1 1 18 18 GLU HB2 H 1 2.142 . . 2 . . . . 308 GLU HB2 . 6750 1 206 . 1 1 18 18 GLU HG2 H 1 2.390 . . 2 . . . . 308 GLU HG2 . 6750 1 207 . 1 1 18 18 GLU HG3 H 1 2.318 . . 2 . . . . 308 GLU HG3 . 6750 1 208 . 1 1 18 18 GLU CA C 13 56.882 . . 1 . . . . 308 GLU CA . 6750 1 209 . 1 1 18 18 GLU CB C 13 29.492 . . 1 . . . . 308 GLU CB . 6750 1 210 . 1 1 18 18 GLU CG C 13 35.937 . . 1 . . . . 308 GLU CG . 6750 1 211 . 1 1 18 18 GLU N N 15 119.881 . . 1 . . . . 308 GLU N . 6750 1 212 . 1 1 19 19 LEU H H 1 7.542 . . 1 . . . . 309 LEU HN . 6750 1 213 . 1 1 19 19 LEU HA H 1 4.199 . . 1 . . . . 309 LEU HA . 6750 1 214 . 1 1 19 19 LEU HB2 H 1 1.675 . . 2 . . . . 309 LEU HB2 . 6750 1 215 . 1 1 19 19 LEU HG H 1 1.671 . . 1 . . . . 309 LEU HG . 6750 1 216 . 1 1 19 19 LEU HD11 H 1 0.438 . . 2 . . . . 309 LEU QD1 . 6750 1 217 . 1 1 19 19 LEU HD12 H 1 0.438 . . 2 . . . . 309 LEU QD1 . 6750 1 218 . 1 1 19 19 LEU HD13 H 1 0.438 . . 2 . . . . 309 LEU QD1 . 6750 1 219 . 1 1 19 19 LEU HD21 H 1 0.733 . . 2 . . . . 309 LEU QD2 . 6750 1 220 . 1 1 19 19 LEU HD22 H 1 0.733 . . 2 . . . . 309 LEU QD2 . 6750 1 221 . 1 1 19 19 LEU HD23 H 1 0.733 . . 2 . . . . 309 LEU QD2 . 6750 1 222 . 1 1 19 19 LEU CA C 13 55.211 . . 1 . . . . 309 LEU CA . 6750 1 223 . 1 1 19 19 LEU CB C 13 41.392 . . 1 . . . . 309 LEU CB . 6750 1 224 . 1 1 19 19 LEU CG C 13 26.660 . . 1 . . . . 309 LEU CG . 6750 1 225 . 1 1 19 19 LEU CD1 C 13 22.262 . . 2 . . . . 309 LEU CD1 . 6750 1 226 . 1 1 19 19 LEU CD2 C 13 25.117 . . 2 . . . . 309 LEU CD2 . 6750 1 227 . 1 1 19 19 LEU N N 15 118.962 . . 1 . . . . 309 LEU N . 6750 1 228 . 1 1 20 20 LYS H H 1 7.826 . . 1 . . . . 310 LYS HN . 6750 1 229 . 1 1 20 20 LYS HA H 1 4.310 . . 1 . . . . 310 LYS HA . 6750 1 230 . 1 1 20 20 LYS HB2 H 1 1.923 . . 2 . . . . 310 LYS HB2 . 6750 1 231 . 1 1 20 20 LYS HB3 H 1 1.866 . . 2 . . . . 310 LYS HB3 . 6750 1 232 . 1 1 20 20 LYS HG2 H 1 1.543 . . 2 . . . . 310 LYS HG2 . 6750 1 233 . 1 1 20 20 LYS HG3 H 1 1.468 . . 2 . . . . 310 LYS HG3 . 6750 1 234 . 1 1 20 20 LYS HE2 H 1 3.017 . . 2 . . . . 310 LYS HE2 . 6750 1 235 . 1 1 20 20 LYS CA C 13 56.674 . . 1 . . . . 310 LYS CA . 6750 1 236 . 1 1 20 20 LYS CB C 13 32.732 . . 1 . . . . 310 LYS CB . 6750 1 237 . 1 1 20 20 LYS CG C 13 24.792 . . 1 . . . . 310 LYS CG . 6750 1 238 . 1 1 20 20 LYS CE C 13 41.963 . . 1 . . . . 310 LYS CE . 6750 1 239 . 1 1 20 20 LYS N N 15 119.976 . . 1 . . . . 310 LYS N . 6750 1 240 . 1 1 21 21 GLY H H 1 8.204 . . 1 . . . . 311 GLY HN . 6750 1 241 . 1 1 21 21 GLY HA2 H 1 3.985 . . 2 . . . . 311 GLY HA2 . 6750 1 242 . 1 1 21 21 GLY CA C 13 45.231 . . 1 . . . . 311 GLY CA . 6750 1 243 . 1 1 21 21 GLY N N 15 108.707 . . 1 . . . . 311 GLY N . 6750 1 244 . 1 1 22 22 GLN H H 1 8.139 . . 1 . . . . 312 GLN HN . 6750 1 245 . 1 1 22 22 GLN HA H 1 4.344 . . 1 . . . . 312 GLN HA . 6750 1 246 . 1 1 22 22 GLN HB2 H 1 2.075 . . 2 . . . . 312 GLN HB2 . 6750 1 247 . 1 1 22 22 GLN HG2 H 1 2.382 . . 2 . . . . 312 GLN HG2 . 6750 1 248 . 1 1 22 22 GLN CA C 13 55.598 . . 1 . . . . 312 GLN CA . 6750 1 249 . 1 1 22 22 GLN CB C 13 29.358 . . 1 . . . . 312 GLN CB . 6750 1 250 . 1 1 22 22 GLN CG C 13 33.693 . . 1 . . . . 312 GLN CG . 6750 1 251 . 1 1 22 22 GLN N N 15 119.596 . . 1 . . . . 312 GLN N . 6750 1 252 . 1 1 23 23 GLN H H 1 8.351 . . 1 . . . . 313 GLN HN . 6750 1 253 . 1 1 23 23 GLN HA H 1 4.346 . . 1 . . . . 313 GLN HA . 6750 1 254 . 1 1 23 23 GLN HB2 H 1 2.135 . . 2 . . . . 313 GLN HB2 . 6750 1 255 . 1 1 23 23 GLN HB3 H 1 2.015 . . 2 . . . . 313 GLN HB3 . 6750 1 256 . 1 1 23 23 GLN HG2 H 1 2.382 . . 2 . . . . 313 GLN HG2 . 6750 1 257 . 1 1 23 23 GLN CA C 13 55.657 . . 1 . . . . 313 GLN CA . 6750 1 258 . 1 1 23 23 GLN CB C 13 29.431 . . 1 . . . . 313 GLN CB . 6750 1 259 . 1 1 23 23 GLN CG C 13 33.651 . . 1 . . . . 313 GLN CG . 6750 1 260 . 1 1 23 23 GLN N N 15 121.235 . . 1 . . . . 313 GLN N . 6750 1 261 . 1 1 24 24 ALA H H 1 8.281 . . 1 . . . . 314 ALA HN . 6750 1 262 . 1 1 24 24 ALA HA H 1 4.366 . . 1 . . . . 314 ALA HA . 6750 1 263 . 1 1 24 24 ALA HB1 H 1 1.395 . . 1 . . . . 314 ALA QB . 6750 1 264 . 1 1 24 24 ALA HB2 H 1 1.395 . . 1 . . . . 314 ALA QB . 6750 1 265 . 1 1 24 24 ALA HB3 H 1 1.395 . . 1 . . . . 314 ALA QB . 6750 1 266 . 1 1 24 24 ALA CA C 13 52.112 . . 1 . . . . 314 ALA CA . 6750 1 267 . 1 1 24 24 ALA CB C 13 85.334 . . 1 . . . . 314 ALA CB . 6750 1 268 . 1 1 24 24 ALA N N 15 126.017 . . 1 . . . . 314 ALA N . 6750 1 269 . 1 1 25 25 LEU H H 1 7.822 . . 1 . . . . 315 LEU HN . 6750 1 270 . 1 1 25 25 LEU HA H 1 4.188 . . 1 . . . . 315 LEU HA . 6750 1 271 . 1 1 25 25 LEU HB2 H 1 1.593 . . 2 . . . . 315 LEU HB2 . 6750 1 272 . 1 1 25 25 LEU HG H 1 1.612 . . 1 . . . . 315 LEU HG . 6750 1 273 . 1 1 25 25 LEU HD11 H 1 0.874 . . 2 . . . . 315 LEU QD1 . 6750 1 274 . 1 1 25 25 LEU HD12 H 1 0.874 . . 2 . . . . 315 LEU QD1 . 6750 1 275 . 1 1 25 25 LEU HD13 H 1 0.874 . . 2 . . . . 315 LEU QD1 . 6750 1 276 . 1 1 25 25 LEU HD21 H 1 0.910 . . 2 . . . . 315 LEU QD2 . 6750 1 277 . 1 1 25 25 LEU HD22 H 1 0.910 . . 2 . . . . 315 LEU QD2 . 6750 1 278 . 1 1 25 25 LEU HD23 H 1 0.910 . . 2 . . . . 315 LEU QD2 . 6750 1 279 . 1 1 25 25 LEU CA C 13 56.435 . . 1 . . . . 315 LEU CA . 6750 1 280 . 1 1 25 25 LEU CB C 13 43.290 . . 1 . . . . 315 LEU CB . 6750 1 281 . 1 1 25 25 LEU CG C 13 27.142 . . 1 . . . . 315 LEU CG . 6750 1 282 . 1 1 25 25 LEU CD1 C 13 23.452 . . 2 . . . . 315 LEU CD1 . 6750 1 283 . 1 1 25 25 LEU CD2 C 13 25.167 . . 2 . . . . 315 LEU CD2 . 6750 1 284 . 1 1 25 25 LEU N N 15 127.578 . . 1 . . . . 315 LEU N . 6750 1 stop_ save_