################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5851 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 5851 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 3 3 THR H H 1 8.521 0.0005 . . . . . . . . . . 5851 1 2 . 1 1 3 3 THR HA H 1 4.399 0.0005 . . . . . . . . . . 5851 1 3 . 1 1 3 3 THR HB H 1 4.259 0.001 . . . . . . . . . . 5851 1 4 . 1 1 3 3 THR HG21 H 1 1.225 0.005 . . . . . . . . . . 5851 1 5 . 1 1 3 3 THR HG22 H 1 1.225 0.005 . . . . . . . . . . 5851 1 6 . 1 1 3 3 THR HG23 H 1 1.225 0.005 . . . . . . . . . . 5851 1 7 . 1 1 3 3 THR N N 15 116.678 . . . . . . . . . . . 5851 1 8 . 1 1 4 4 ARG H H 1 8.618 0.003 . . . . . . . . . . 5851 1 9 . 1 1 4 4 ARG HA H 1 4.352 0.002 . . . . . . . . . . 5851 1 10 . 1 1 4 4 ARG HB2 H 1 1.882 0.006 . . . . . . . . . . 5851 1 11 . 1 1 4 4 ARG HB3 H 1 1.789 0.007 . . . . . . . . . . 5851 1 12 . 1 1 4 4 ARG HG2 H 1 1.665 0.006 . . . . . . . . . . 5851 1 13 . 1 1 4 4 ARG HD2 H 1 3.206 0.001 . . . . . . . . . . 5851 1 14 . 1 1 4 4 ARG HE H 1 7.241 0.003 . . . . . . . . . . 5851 1 15 . 1 1 4 4 ARG N N 15 124.043 . . . . . . . . . . . 5851 1 16 . 1 1 5 5 GLY H H 1 8.610 0.0005 . . . . . . . . . . 5851 1 17 . 1 1 5 5 GLY HA2 H 1 4.001 0.0005 . . . . . . . . . . 5851 1 18 . 1 1 5 5 GLY N N 15 110.56 . . . . . . . . . . . 5851 1 19 . 1 1 6 6 SER H H 1 8.416 0.0005 . . . . . . . . . . 5851 1 20 . 1 1 6 6 SER HA H 1 4.562 0.001 . . . . . . . . . . 5851 1 21 . 1 1 6 6 SER HB2 H 1 3.934 0.003 . . . . . . . . . . 5851 1 22 . 1 1 6 6 SER HB3 H 1 3.880 0.005 . . . . . . . . . . 5851 1 23 . 1 1 6 6 SER N N 15 115.604 . . . . . . . . . . . 5851 1 24 . 1 1 7 7 THR H H 1 8.375 0.0005 . . . . . . . . . . 5851 1 25 . 1 1 7 7 THR HA H 1 4.399 0.0005 . . . . . . . . . . 5851 1 26 . 1 1 7 7 THR HB H 1 4.285 0.006 . . . . . . . . . . 5851 1 27 . 1 1 7 7 THR HG21 H 1 1.222 0.004 . . . . . . . . . . 5851 1 28 . 1 1 7 7 THR HG22 H 1 1.222 0.004 . . . . . . . . . . 5851 1 29 . 1 1 7 7 THR HG23 H 1 1.222 0.004 . . . . . . . . . . 5851 1 30 . 1 1 7 7 THR N N 15 115.417 . . . . . . . . . . . 5851 1 31 . 1 1 8 8 GLY H H 1 8.481 0.003 . . . . . . . . . . 5851 1 32 . 1 1 8 8 GLY HA2 H 1 3.954 0.001 . . . . . . . . . . 5851 1 33 . 1 1 8 8 GLY N N 15 110.99 . . . . . . . . . . . 5851 1 34 . 1 1 9 9 ILE H H 1 8.071 0.001 . . . . . . . . . . 5851 1 35 . 1 1 9 9 ILE HA H 1 4.049 0.001 . . . . . . . . . . 5851 1 36 . 1 1 9 9 ILE HB H 1 1.785 0.005 . . . . . . . . . . 5851 1 37 . 1 1 9 9 ILE HG21 H 1 0.869 0.001 . . . . . . . . . . 5851 1 38 . 1 1 9 9 ILE HG22 H 1 0.869 0.001 . . . . . . . . . . 5851 1 39 . 1 1 9 9 ILE HG23 H 1 0.869 0.001 . . . . . . . . . . 5851 1 40 . 1 1 9 9 ILE HG12 H 1 1.430 0.001 . . . . . . . . . . 5851 1 41 . 1 1 9 9 ILE HG13 H 1 1.148 0.003 . . . . . . . . . . 5851 1 42 . 1 1 9 9 ILE HD11 H 1 0.843 0.002 . . . . . . . . . . 5851 1 43 . 1 1 9 9 ILE HD12 H 1 0.843 0.002 . . . . . . . . . . 5851 1 44 . 1 1 9 9 ILE HD13 H 1 0.843 0.002 . . . . . . . . . . 5851 1 45 . 1 1 9 9 ILE N N 15 120.179 . . . . . . . . . . . 5851 1 46 . 1 1 10 10 LYS H H 1 8.499 0.003 . . . . . . . . . . 5851 1 47 . 1 1 10 10 LYS HA H 1 4.493 0.002 . . . . . . . . . . 5851 1 48 . 1 1 10 10 LYS HB2 H 1 1.523 0.004 . . . . . . . . . . 5851 1 49 . 1 1 10 10 LYS HG2 H 1 1.345 0.007 . . . . . . . . . . 5851 1 50 . 1 1 10 10 LYS HG3 H 1 1.267 0.003 . . . . . . . . . . 5851 1 51 . 1 1 10 10 LYS HD2 H 1 1.611 0.007 . . . . . . . . . . 5851 1 52 . 1 1 10 10 LYS HD3 H 1 1.493 0.007 . . . . . . . . . . 5851 1 53 . 1 1 10 10 LYS HE2 H 1 2.927 0.001 . . . . . . . . . . 5851 1 54 . 1 1 10 10 LYS N N 15 126.898 . . . . . . . . . . . 5851 1 55 . 1 1 11 11 PRO HA H 1 4.233 0.003 . . . . . . . . . . 5851 1 56 . 1 1 11 11 PRO HB2 H 1 2.023 0.008 . . . . . . . . . . 5851 1 57 . 1 1 11 11 PRO HB3 H 1 1.269 0.002 . . . . . . . . . . 5851 1 58 . 1 1 11 11 PRO HG2 H 1 1.877 0.002 . . . . . . . . . . 5851 1 59 . 1 1 11 11 PRO HG3 H 1 1.797 0.003 . . . . . . . . . . 5851 1 60 . 1 1 11 11 PRO HD2 H 1 3.743 0.002 . . . . . . . . . . 5851 1 61 . 1 1 11 11 PRO HD3 H 1 3.660 0.007 . . . . . . . . . . 5851 1 62 . 1 1 12 12 PHE H H 1 8.231 0.002 . . . . . . . . . . 5851 1 63 . 1 1 12 12 PHE HA H 1 4.702 0.002 . . . . . . . . . . 5851 1 64 . 1 1 12 12 PHE HB2 H 1 3.023 0.004 . . . . . . . . . . 5851 1 65 . 1 1 12 12 PHE HD1 H 1 7.181 0.001 . . . . . . . . . . 5851 1 66 . 1 1 12 12 PHE HE1 H 1 7.414 0.0005 . . . . . . . . . . 5851 1 67 . 1 1 12 12 PHE N N 15 117.099 . . . . . . . . . . . 5851 1 68 . 1 1 13 13 GLN H H 1 8.665 0.004 . . . . . . . . . . 5851 1 69 . 1 1 13 13 GLN HA H 1 4.329 0.001 . . . . . . . . . . 5851 1 70 . 1 1 13 13 GLN HB2 H 1 2.051 0.008 . . . . . . . . . . 5851 1 71 . 1 1 13 13 GLN HG2 H 1 2.302 0.005 . . . . . . . . . . 5851 1 72 . 1 1 13 13 GLN HG3 H 1 2.178 0.001 . . . . . . . . . . 5851 1 73 . 1 1 13 13 GLN HE22 H 1 6.237 0.001 . . . . . . . . . . 5851 1 74 . 1 1 13 13 GLN N N 15 125.182 . . . . . . . . . . . 5851 1 75 . 1 1 14 14 CYS H H 1 8.998 0.002 . . . . . . . . . . 5851 1 76 . 1 1 14 14 CYS HA H 1 4.773 0.0005 . . . . . . . . . . 5851 1 77 . 1 1 14 14 CYS HB2 H 1 3.580 0.001 . . . . . . . . . . 5851 1 78 . 1 1 14 14 CYS HB3 H 1 2.803 0.008 . . . . . . . . . . 5851 1 79 . 1 1 14 14 CYS N N 15 131.135 . . . . . . . . . . . 5851 1 80 . 1 1 15 15 PRO HA H 1 4.656 0.001 . . . . . . . . . . 5851 1 81 . 1 1 15 15 PRO HB2 H 1 2.371 0.007 . . . . . . . . . . 5851 1 82 . 1 1 15 15 PRO HB3 H 1 2.030 0.006 . . . . . . . . . . 5851 1 83 . 1 1 15 15 PRO HG2 H 1 2.091 0.005 . . . . . . . . . . 5851 1 84 . 1 1 15 15 PRO HD2 H 1 4.296 0.008 . . . . . . . . . . 5851 1 85 . 1 1 15 15 PRO HD3 H 1 4.120 0.003 . . . . . . . . . . 5851 1 86 . 1 1 16 16 ASP H H 1 9.293 0.0005 . . . . . . . . . . 5851 1 87 . 1 1 16 16 ASP HA H 1 4.796 0.001 . . . . . . . . . . 5851 1 88 . 1 1 16 16 ASP HB2 H 1 2.084 0.0005 . . . . . . . . . . 5851 1 89 . 1 1 16 16 ASP HB3 H 1 1.459 0.006 . . . . . . . . . . 5851 1 90 . 1 1 16 16 ASP N N 15 119.961 . . . . . . . . . . . 5851 1 91 . 1 1 17 17 CYS H H 1 7.847 0.005 . . . . . . . . . . 5851 1 92 . 1 1 17 17 CYS HA H 1 4.913 0.0005 . . . . . . . . . . 5851 1 93 . 1 1 17 17 CYS HB2 H 1 3.349 0.003 . . . . . . . . . . 5851 1 94 . 1 1 17 17 CYS HB3 H 1 3.278 0.001 . . . . . . . . . . 5851 1 95 . 1 1 17 17 CYS N N 15 118.635 . . . . . . . . . . . 5851 1 96 . 1 1 18 18 ASP H H 1 8.238 0.003 . . . . . . . . . . 5851 1 97 . 1 1 18 18 ASP HA H 1 4.607 0.004 . . . . . . . . . . 5851 1 98 . 1 1 18 18 ASP HB2 H 1 2.845 0.006 . . . . . . . . . . 5851 1 99 . 1 1 18 18 ASP HB3 H 1 2.761 0.001 . . . . . . . . . . 5851 1 100 . 1 1 18 18 ASP N N 15 114.063 . . . . . . . . . . . 5851 1 101 . 1 1 19 19 ARG H H 1 8.731 0.002 . . . . . . . . . . 5851 1 102 . 1 1 19 19 ARG HA H 1 4.094 0.001 . . . . . . . . . . 5851 1 103 . 1 1 19 19 ARG HB2 H 1 1.357 0.002 . . . . . . . . . . 5851 1 104 . 1 1 19 19 ARG HB3 H 1 1.268 0.002 . . . . . . . . . . 5851 1 105 . 1 1 19 19 ARG HG2 H 1 1.735 0.002 . . . . . . . . . . 5851 1 106 . 1 1 19 19 ARG HG3 H 1 1.683 0.003 . . . . . . . . . . 5851 1 107 . 1 1 19 19 ARG HD2 H 1 3.134 0.002 . . . . . . . . . . 5851 1 108 . 1 1 19 19 ARG HD3 H 1 3.049 0.006 . . . . . . . . . . 5851 1 109 . 1 1 19 19 ARG HE H 1 7.205 0.005 . . . . . . . . . . 5851 1 110 . 1 1 19 19 ARG N N 15 122.987 . . . . . . . . . . . 5851 1 111 . 1 1 20 20 SER H H 1 7.722 0.003 . . . . . . . . . . 5851 1 112 . 1 1 20 20 SER HA H 1 5.147 0.0005 . . . . . . . . . . 5851 1 113 . 1 1 20 20 SER HB2 H 1 3.764 0.003 . . . . . . . . . . 5851 1 114 . 1 1 20 20 SER HB3 H 1 3.579 0.002 . . . . . . . . . . 5851 1 115 . 1 1 20 20 SER N N 15 112.426 . . . . . . . . . . . 5851 1 116 . 1 1 21 21 PHE H H 1 8.734 0.004 . . . . . . . . . . 5851 1 117 . 1 1 21 21 PHE HA H 1 4.938 0.003 . . . . . . . . . . 5851 1 118 . 1 1 21 21 PHE HB2 H 1 3.674 0.001 . . . . . . . . . . 5851 1 119 . 1 1 21 21 PHE HB3 H 1 2.784 0.005 . . . . . . . . . . 5851 1 120 . 1 1 21 21 PHE HD1 H 1 7.412 0.003 . . . . . . . . . . 5851 1 121 . 1 1 21 21 PHE HE1 H 1 6.895 0.004 . . . . . . . . . . 5851 1 122 . 1 1 21 21 PHE HZ H 1 6.320 0.003 . . . . . . . . . . 5851 1 123 . 1 1 21 21 PHE N N 15 116.305 . . . . . . . . . . . 5851 1 124 . 1 1 22 22 SER H H 1 9.830 0.002 . . . . . . . . . . 5851 1 125 . 1 1 22 22 SER HA H 1 4.703 0.001 . . . . . . . . . . 5851 1 126 . 1 1 22 22 SER HB2 H 1 4.183 0.0005 . . . . . . . . . . 5851 1 127 . 1 1 22 22 SER HB3 H 1 4.088 0.004 . . . . . . . . . . 5851 1 128 . 1 1 22 22 SER N N 15 116.168 . . . . . . . . . . . 5851 1 129 . 1 1 23 23 ARG H H 1 7.535 0.004 . . . . . . . . . . 5851 1 130 . 1 1 23 23 ARG HA H 1 4.655 0.001 . . . . . . . . . . 5851 1 131 . 1 1 23 23 ARG HB2 H 1 1.440 0.008 . . . . . . . . . . 5851 1 132 . 1 1 23 23 ARG HB3 H 1 1.164 0.009 . . . . . . . . . . 5851 1 133 . 1 1 23 23 ARG HG2 H 1 2.064 0.004 . . . . . . . . . . 5851 1 134 . 1 1 23 23 ARG HG3 H 1 1.615 0.002 . . . . . . . . . . 5851 1 135 . 1 1 23 23 ARG HD2 H 1 3.182 0.001 . . . . . . . . . . 5851 1 136 . 1 1 23 23 ARG HD3 H 1 2.669 0.003 . . . . . . . . . . 5851 1 137 . 1 1 23 23 ARG HE H 1 8.097 0.003 . . . . . . . . . . 5851 1 138 . 1 1 23 23 ARG N N 15 117.652 . . . . . . . . . . . 5851 1 139 . 1 1 24 24 SER H H 1 8.674 0.002 . . . . . . . . . . 5851 1 140 . 1 1 24 24 SER HA H 1 3.109 0.005 . . . . . . . . . . 5851 1 141 . 1 1 24 24 SER HB2 H 1 3.443 0.005 . . . . . . . . . . 5851 1 142 . 1 1 24 24 SER HB3 H 1 3.154 0.005 . . . . . . . . . . 5851 1 143 . 1 1 24 24 SER N N 15 119.291 . . . . . . . . . . . 5851 1 144 . 1 1 25 25 ASP H H 1 8.895 0.0005 . . . . . . . . . . 5851 1 145 . 1 1 25 25 ASP HA H 1 4.329 0.0005 . . . . . . . . . . 5851 1 146 . 1 1 25 25 ASP HB2 H 1 2.761 0.001 . . . . . . . . . . 5851 1 147 . 1 1 25 25 ASP HB3 H 1 2.643 0.009 . . . . . . . . . . 5851 1 148 . 1 1 25 25 ASP N N 15 122.123 . . . . . . . . . . . 5851 1 149 . 1 1 26 26 HIS H H 1 7.424 0.008 . . . . . . . . . . 5851 1 150 . 1 1 26 26 HIS HA H 1 4.403 0.008 . . . . . . . . . . 5851 1 151 . 1 1 26 26 HIS HB2 H 1 3.392 0.003 . . . . . . . . . . 5851 1 152 . 1 1 26 26 HIS HB3 H 1 3.262 0.009 . . . . . . . . . . 5851 1 153 . 1 1 26 26 HIS HD2 H 1 7.047 0.003 . . . . . . . . . . 5851 1 154 . 1 1 26 26 HIS N N 15 121.389 . . . . . . . . . . . 5851 1 155 . 1 1 27 27 LEU H H 1 7.199 0.008 . . . . . . . . . . 5851 1 156 . 1 1 27 27 LEU HA H 1 3.323 0.002 . . . . . . . . . . 5851 1 157 . 1 1 27 27 LEU HB2 H 1 1.944 0.002 . . . . . . . . . . 5851 1 158 . 1 1 27 27 LEU HB3 H 1 1.383 0.002 . . . . . . . . . . 5851 1 159 . 1 1 27 27 LEU HG H 1 1.613 0.004 . . . . . . . . . . 5851 1 160 . 1 1 27 27 LEU HD11 H 1 1.150 0.003 . . . . . . . . . . 5851 1 161 . 1 1 27 27 LEU HD12 H 1 1.150 0.003 . . . . . . . . . . 5851 1 162 . 1 1 27 27 LEU HD13 H 1 1.150 0.003 . . . . . . . . . . 5851 1 163 . 1 1 27 27 LEU HD21 H 1 1.075 0.005 . . . . . . . . . . 5851 1 164 . 1 1 27 27 LEU HD22 H 1 1.075 0.005 . . . . . . . . . . 5851 1 165 . 1 1 27 27 LEU HD23 H 1 1.075 0.005 . . . . . . . . . . 5851 1 166 . 1 1 27 27 LEU N N 15 120.406 . . . . . . . . . . . 5851 1 167 . 1 1 28 28 ALA H H 1 7.994 0.002 . . . . . . . . . . 5851 1 168 . 1 1 28 28 ALA HA H 1 3.955 0.001 . . . . . . . . . . 5851 1 169 . 1 1 28 28 ALA HB1 H 1 1.433 0.006 . . . . . . . . . . 5851 1 170 . 1 1 28 28 ALA HB2 H 1 1.433 0.006 . . . . . . . . . . 5851 1 171 . 1 1 28 28 ALA HB3 H 1 1.433 0.006 . . . . . . . . . . 5851 1 172 . 1 1 28 28 ALA N N 15 121.2 . . . . . . . . . . . 5851 1 173 . 1 1 29 29 LEU H H 1 7.493 0.004 . . . . . . . . . . 5851 1 174 . 1 1 29 29 LEU HA H 1 4.048 0.0005 . . . . . . . . . . 5851 1 175 . 1 1 29 29 LEU HB2 H 1 1.687 0.005 . . . . . . . . . . 5851 1 176 . 1 1 29 29 LEU HG H 1 1.603 0.010 . . . . . . . . . . 5851 1 177 . 1 1 29 29 LEU HD11 H 1 0.868 0.001 . . . . . . . . . . 5851 1 178 . 1 1 29 29 LEU HD12 H 1 0.868 0.001 . . . . . . . . . . 5851 1 179 . 1 1 29 29 LEU HD13 H 1 0.868 0.001 . . . . . . . . . . 5851 1 180 . 1 1 29 29 LEU N N 15 117.328 . . . . . . . . . . . 5851 1 181 . 1 1 30 30 HIS H H 1 7.503 0.003 . . . . . . . . . . 5851 1 182 . 1 1 30 30 HIS HA H 1 4.190 0.003 . . . . . . . . . . 5851 1 183 . 1 1 30 30 HIS HB2 H 1 3.139 0.007 . . . . . . . . . . 5851 1 184 . 1 1 30 30 HIS HB3 H 1 2.923 0.004 . . . . . . . . . . 5851 1 185 . 1 1 30 30 HIS N N 15 119.121 . . . . . . . . . . . 5851 1 186 . 1 1 31 31 ARG H H 1 8.585 0.0005 . . . . . . . . . . 5851 1 187 . 1 1 31 31 ARG HA H 1 3.767 0.0005 . . . . . . . . . . 5851 1 188 . 1 1 31 31 ARG HB2 H 1 2.153 0.002 . . . . . . . . . . 5851 1 189 . 1 1 31 31 ARG HB3 H 1 1.873 0.002 . . . . . . . . . . 5851 1 190 . 1 1 31 31 ARG HG2 H 1 2.319 0.003 . . . . . . . . . . 5851 1 191 . 1 1 31 31 ARG HG3 H 1 2.250 0.003 . . . . . . . . . . 5851 1 192 . 1 1 31 31 ARG HD2 H 1 3.302 0.003 . . . . . . . . . . 5851 1 193 . 1 1 31 31 ARG HE H 1 8.033 0.004 . . . . . . . . . . 5851 1 194 . 1 1 31 31 ARG N N 15 116.211 . . . . . . . . . . . 5851 1 195 . 1 1 32 32 LYS H H 1 7.295 0.005 . . . . . . . . . . 5851 1 196 . 1 1 32 32 LYS HA H 1 4.055 0.005 . . . . . . . . . . 5851 1 197 . 1 1 32 32 LYS HB2 H 1 1.897 0.003 . . . . . . . . . . 5851 1 198 . 1 1 32 32 LYS HG2 H 1 1.513 0.007 . . . . . . . . . . 5851 1 199 . 1 1 32 32 LYS HD2 H 1 1.708 0.010 . . . . . . . . . . 5851 1 200 . 1 1 32 32 LYS HE2 H 1 2.975 0.004 . . . . . . . . . . 5851 1 201 . 1 1 32 32 LYS HZ1 H 1 7.648 0.004 . . . . . . . . . . 5851 1 202 . 1 1 32 32 LYS HZ2 H 1 7.648 0.004 . . . . . . . . . . 5851 1 203 . 1 1 32 32 LYS HZ3 H 1 7.648 0.004 . . . . . . . . . . 5851 1 204 . 1 1 32 32 LYS N N 15 118.08 . . . . . . . . . . . 5851 1 205 . 1 1 33 33 ARG H H 1 7.753 0.003 . . . . . . . . . . 5851 1 206 . 1 1 33 33 ARG HA H 1 4.069 0.002 . . . . . . . . . . 5851 1 207 . 1 1 33 33 ARG HB2 H 1 1.501 0.005 . . . . . . . . . . 5851 1 208 . 1 1 33 33 ARG HB3 H 1 1.431 0.004 . . . . . . . . . . 5851 1 209 . 1 1 33 33 ARG HG2 H 1 1.570 0.003 . . . . . . . . . . 5851 1 210 . 1 1 33 33 ARG HD2 H 1 3.089 0.001 . . . . . . . . . . 5851 1 211 . 1 1 33 33 ARG HE H 1 7.281 0.003 . . . . . . . . . . 5851 1 212 . 1 1 33 33 ARG N N 15 116.17 . . . . . . . . . . . 5851 1 213 . 1 1 34 34 HIS H H 1 7.399 0.007 . . . . . . . . . . 5851 1 214 . 1 1 34 34 HIS HA H 1 4.702 0.003 . . . . . . . . . . 5851 1 215 . 1 1 34 34 HIS HB2 H 1 3.279 0.005 . . . . . . . . . . 5851 1 216 . 1 1 34 34 HIS HB3 H 1 3.184 0.004 . . . . . . . . . . 5851 1 217 . 1 1 34 34 HIS HD2 H 1 6.761 0.001 . . . . . . . . . . 5851 1 218 . 1 1 34 34 HIS N N 15 115.916 . . . . . . . . . . . 5851 1 219 . 1 1 35 35 MET H H 1 7.650 0.0005 . . . . . . . . . . 5851 1 220 . 1 1 35 35 MET HA H 1 4.492 0.001 . . . . . . . . . . 5851 1 221 . 1 1 35 35 MET HB2 H 1 2.181 0.004 . . . . . . . . . . 5851 1 222 . 1 1 35 35 MET HB3 H 1 2.056 0.004 . . . . . . . . . . 5851 1 223 . 1 1 35 35 MET HG2 H 1 2.656 0.007 . . . . . . . . . . 5851 1 224 . 1 1 35 35 MET HG3 H 1 2.577 0.003 . . . . . . . . . . 5851 1 225 . 1 1 35 35 MET N N 15 118.751 . . . . . . . . . . . 5851 1 226 . 1 1 36 36 LEU H H 1 8.241 0.001 . . . . . . . . . . 5851 1 227 . 1 1 36 36 LEU HA H 1 4.426 0.007 . . . . . . . . . . 5851 1 228 . 1 1 36 36 LEU HB2 H 1 1.687 0.001 . . . . . . . . . . 5851 1 229 . 1 1 36 36 LEU HG H 1 1.653 0.002 . . . . . . . . . . 5851 1 230 . 1 1 36 36 LEU HD11 H 1 0.943 0.004 . . . . . . . . . . 5851 1 231 . 1 1 36 36 LEU HD12 H 1 0.943 0.004 . . . . . . . . . . 5851 1 232 . 1 1 36 36 LEU HD13 H 1 0.943 0.004 . . . . . . . . . . 5851 1 233 . 1 1 36 36 LEU HD21 H 1 0.887 0.004 . . . . . . . . . . 5851 1 234 . 1 1 36 36 LEU HD22 H 1 0.887 0.004 . . . . . . . . . . 5851 1 235 . 1 1 36 36 LEU HD23 H 1 0.887 0.004 . . . . . . . . . . 5851 1 236 . 1 1 36 36 LEU N N 15 123.515 . . . . . . . . . . . 5851 1 237 . 1 1 37 37 VAL H H 1 7.761 0.002 . . . . . . . . . . 5851 1 238 . 1 1 37 37 VAL HA H 1 4.071 0.0005 . . . . . . . . . . 5851 1 239 . 1 1 37 37 VAL HB H 1 2.102 0.006 . . . . . . . . . . 5851 1 240 . 1 1 37 37 VAL HG11 H 1 0.920 0.004 . . . . . . . . . . 5851 1 241 . 1 1 37 37 VAL HG12 H 1 0.920 0.004 . . . . . . . . . . 5851 1 242 . 1 1 37 37 VAL HG13 H 1 0.920 0.004 . . . . . . . . . . 5851 1 243 . 1 1 37 37 VAL HG21 H 1 0.893 0.001 . . . . . . . . . . 5851 1 244 . 1 1 37 37 VAL HG22 H 1 0.893 0.001 . . . . . . . . . . 5851 1 245 . 1 1 37 37 VAL HG23 H 1 0.893 0.001 . . . . . . . . . . 5851 1 246 . 1 1 37 37 VAL N N 15 124.515 . . . . . . . . . . . 5851 1 stop_ save_