################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50122 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50122 1 2 '3D HNCACB' . . . 50122 1 3 '3D CBCA(CO)NH' . . . 50122 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA CA C 13 51.577 0.1 . 1 . . . . . 1 A CA . 50122 1 2 . 1 . 1 1 1 ALA CB C 13 19.276 0.1 . 1 . . . . . 1 A CB . 50122 1 3 . 1 . 1 2 2 THR H H 1 8.399 0.01 . 1 . . . . . 2 T HN . 50122 1 4 . 1 . 1 2 2 THR CA C 13 61.757 0.1 . 1 . . . . . 2 T CA . 50122 1 5 . 1 . 1 2 2 THR CB C 13 69.665 0.1 . 1 . . . . . 2 T CB . 50122 1 6 . 1 . 1 2 2 THR N N 15 115.047 0.1 . 1 . . . . . 2 T N . 50122 1 7 . 1 . 1 3 3 LEU H H 1 8.360 0.01 . 1 . . . . . 3 L HN . 50122 1 8 . 1 . 1 3 3 LEU CA C 13 55.383 0.1 . 1 . . . . . 3 L CA . 50122 1 9 . 1 . 1 3 3 LEU CB C 13 41.954 0.1 . 1 . . . . . 3 L CB . 50122 1 10 . 1 . 1 3 3 LEU N N 15 125.244 0.1 . 1 . . . . . 3 L N . 50122 1 11 . 1 . 1 4 4 GLU H H 1 8.309 0.01 . 1 . . . . . 4 E HN . 50122 1 12 . 1 . 1 4 4 GLU CA C 13 56.997 0.1 . 1 . . . . . 4 E CA . 50122 1 13 . 1 . 1 4 4 GLU CB C 13 29.844 0.1 . 1 . . . . . 4 E CB . 50122 1 14 . 1 . 1 4 4 GLU N N 15 122.093 0.1 . 1 . . . . . 4 E N . 50122 1 15 . 1 . 1 5 5 LYS H H 1 8.127 0.01 . 1 . . . . . 5 K HN . 50122 1 16 . 1 . 1 5 5 LYS CA C 13 56.657 0.1 . 1 . . . . . 5 K CA . 50122 1 17 . 1 . 1 5 5 LYS CB C 13 32.589 0.1 . 1 . . . . . 5 K CB . 50122 1 18 . 1 . 1 5 5 LYS N N 15 122.019 0.1 . 1 . . . . . 5 K N . 50122 1 19 . 1 . 1 6 6 LEU H H 1 8.042 0.01 . 1 . . . . . 6 L HN . 50122 1 20 . 1 . 1 6 6 LEU CA C 13 55.313 0.1 . 1 . . . . . 6 L CA . 50122 1 21 . 1 . 1 6 6 LEU CB C 13 41.962 0.1 . 1 . . . . . 6 L CB . 50122 1 22 . 1 . 1 6 6 LEU N N 15 122.903 0.1 . 1 . . . . . 6 L N . 50122 1 23 . 1 . 1 7 7 MET H H 1 8.178 0.01 . 1 . . . . . 7 M HN . 50122 1 24 . 1 . 1 7 7 MET CA C 13 55.480 0.1 . 1 . . . . . 7 M CA . 50122 1 25 . 1 . 1 7 7 MET CB C 13 32.441 0.1 . 1 . . . . . 7 M CB . 50122 1 26 . 1 . 1 7 7 MET N N 15 121.109 0.1 . 1 . . . . . 7 M N . 50122 1 27 . 1 . 1 8 8 LYS H H 1 8.077 0.01 . 1 . . . . . 8 K HN . 50122 1 28 . 1 . 1 8 8 LYS CA C 13 56.506 0.1 . 1 . . . . . 8 K CA . 50122 1 29 . 1 . 1 8 8 LYS CB C 13 32.666 0.1 . 1 . . . . . 8 K CB . 50122 1 30 . 1 . 1 8 8 LYS N N 15 122.345 0.1 . 1 . . . . . 8 K N . 50122 1 31 . 1 . 1 9 9 ALA H H 1 8.064 0.01 . 1 . . . . . 9 A HN . 50122 1 32 . 1 . 1 9 9 ALA CA C 13 52.861 0.1 . 1 . . . . . 9 A CA . 50122 1 33 . 1 . 1 9 9 ALA CB C 13 18.700 0.1 . 1 . . . . . 9 A CB . 50122 1 34 . 1 . 1 9 9 ALA N N 15 124.445 0.1 . 1 . . . . . 9 A N . 50122 1 35 . 1 . 1 10 10 PHE H H 1 7.977 0.01 . 1 . . . . . 10 F HN . 50122 1 36 . 1 . 1 10 10 PHE CA C 13 58.212 0.1 . 1 . . . . . 10 F CA . 50122 1 37 . 1 . 1 10 10 PHE CB C 13 39.100 0.1 . 1 . . . . . 10 F CB . 50122 1 38 . 1 . 1 10 10 PHE N N 15 118.924 0.1 . 1 . . . . . 10 F N . 50122 1 39 . 1 . 1 11 11 GLU H H 1 8.044 0.01 . 1 . . . . . 11 E HN . 50122 1 40 . 1 . 1 11 11 GLU CA C 13 56.758 0.1 . 1 . . . . . 11 E CA . 50122 1 41 . 1 . 1 11 11 GLU CB C 13 30.012 0.1 . 1 . . . . . 11 E CB . 50122 1 42 . 1 . 1 11 11 GLU N N 15 121.902 0.1 . 1 . . . . . 11 E N . 50122 1 43 . 1 . 1 12 12 SER H H 1 8.047 0.01 . 1 . . . . . 12 S HN . 50122 1 44 . 1 . 1 12 12 SER CA C 13 58.681 0.1 . 1 . . . . . 12 S CA . 50122 1 45 . 1 . 1 12 12 SER CB C 13 63.434 0.1 . 1 . . . . . 12 S CB . 50122 1 46 . 1 . 1 12 12 SER N N 15 116.227 0.1 . 1 . . . . . 12 S N . 50122 1 47 . 1 . 1 13 13 LEU H H 1 8.001 0.01 . 1 . . . . . 13 L HN . 50122 1 48 . 1 . 1 13 13 LEU CA C 13 55.653 0.1 . 1 . . . . . 13 L CA . 50122 1 49 . 1 . 1 13 13 LEU CB C 13 41.864 0.1 . 1 . . . . . 13 L CB . 50122 1 50 . 1 . 1 13 13 LEU N N 15 123.698 0.1 . 1 . . . . . 13 L N . 50122 1 51 . 1 . 1 14 14 LYS H H 1 8.022 0.01 . 1 . . . . . 14 K HN . 50122 1 52 . 1 . 1 14 14 LYS CA C 13 56.758 0.1 . 1 . . . . . 14 K CA . 50122 1 53 . 1 . 1 14 14 LYS CB C 13 32.540 0.1 . 1 . . . . . 14 K CB . 50122 1 54 . 1 . 1 14 14 LYS N N 15 121.138 0.1 . 1 . . . . . 14 K N . 50122 1 55 . 1 . 1 15 15 SER H H 1 7.993 0.01 . 1 . . . . . 15 S HN . 50122 1 56 . 1 . 1 15 15 SER CA C 13 58.694 0.1 . 1 . . . . . 15 S CA . 50122 1 57 . 1 . 1 15 15 SER CB C 13 63.335 0.1 . 1 . . . . . 15 S CB . 50122 1 58 . 1 . 1 15 15 SER N N 15 115.830 0.1 . 1 . . . . . 15 S N . 50122 1 59 . 1 . 1 16 16 PHE H H 1 8.021 0.01 . 1 . . . . . 16 F HN . 50122 1 60 . 1 . 1 16 16 PHE CA C 13 58.630 0.1 . 1 . . . . . 16 F CA . 50122 1 61 . 1 . 1 16 16 PHE CB C 13 39.103 0.1 . 1 . . . . . 16 F CB . 50122 1 62 . 1 . 1 16 16 PHE N N 15 122.004 0.1 . 1 . . . . . 16 F N . 50122 1 63 . 1 . 1 17 17 GLN H H 1 8.057 0.01 . 1 . . . . . 17 Q HN . 50122 1 64 . 1 . 1 17 17 GLN CA C 13 56.409 0.1 . 1 . . . . . 17 Q CA . 50122 1 65 . 1 . 1 17 17 GLN CB C 13 28.949 0.1 . 1 . . . . . 17 Q CB . 50122 1 66 . 1 . 1 17 17 GLN N N 15 120.831 0.1 . 1 . . . . . 17 Q N . 50122 1 67 . 1 . 1 18 18 GLN H H 1 8.060 0.01 . 1 . . . . . 18 Q HN . 50122 1 68 . 1 . 1 18 18 GLN CA C 13 56.346 0.1 . 1 . . . . . 18 Q CA . 50122 1 69 . 1 . 1 18 18 GLN CB C 13 28.950 0.1 . 1 . . . . . 18 Q CB . 50122 1 70 . 1 . 1 18 18 GLN N N 15 120.744 0.1 . 1 . . . . . 18 Q N . 50122 1 71 . 1 . 1 19 19 GLN H H 1 8.137 0.01 . 1 . . . . . 19 Q HN . 50122 1 72 . 1 . 1 19 19 GLN CA C 13 56.100 0.1 . 1 . . . . . 19 Q CA . 50122 1 73 . 1 . 1 19 19 GLN CB C 13 29.008 0.1 . 1 . . . . . 19 Q CB . 50122 1 74 . 1 . 1 19 19 GLN N N 15 120.692 0.1 . 1 . . . . . 19 Q N . 50122 1 75 . 1 . 1 20 20 GLN H H 1 8.144 0.01 . 1 . . . . . 20 Q HN . 50122 1 76 . 1 . 1 20 20 GLN N N 15 120.691 0.1 . 1 . . . . . 20 Q N . 50122 1 77 . 1 . 1 21 21 GLN H H 1 8.163 0.01 . 1 . . . . . 21 Q HN . 50122 1 78 . 1 . 1 21 21 GLN CA C 13 55.729 0.1 . 1 . . . . . 21 Q CA . 50122 1 79 . 1 . 1 21 21 GLN N N 15 120.948 0.1 . 1 . . . . . 21 Q N . 50122 1 80 . 1 . 1 22 22 GLN H H 1 8.230 0.01 . 1 . . . . . 22 Q HN . 50122 1 81 . 1 . 1 22 22 GLN CA C 13 55.563 0.1 . 1 . . . . . 22 Q CA . 50122 1 82 . 1 . 1 22 22 GLN CB C 13 29.220 0.1 . 1 . . . . . 22 Q CB . 50122 1 83 . 1 . 1 22 22 GLN N N 15 121.511 0.1 . 1 . . . . . 22 Q N . 50122 1 84 . 1 . 1 23 23 GLN H H 1 8.307 0.01 . 1 . . . . . 23 Q HN . 50122 1 85 . 1 . 1 23 23 GLN CA C 13 53.414 0.1 . 1 . . . . . 23 Q CA . 50122 1 86 . 1 . 1 23 23 GLN CB C 13 28.611 0.1 . 1 . . . . . 23 Q CB . 50122 1 87 . 1 . 1 23 23 GLN N N 15 123.029 0.1 . 1 . . . . . 23 Q N . 50122 1 88 . 1 . 1 35 35 GLN H H 1 8.292 0.01 . 1 . . . . . 35 Q HN . 50122 1 89 . 1 . 1 35 35 GLN CA C 13 55.179 0.1 . 1 . . . . . 35 Q CA . 50122 1 90 . 1 . 1 35 35 GLN CB C 13 29.454 0.1 . 1 . . . . . 35 Q CB . 50122 1 91 . 1 . 1 35 35 GLN N N 15 120.488 0.1 . 1 . . . . . 35 Q N . 50122 1 92 . 1 . 1 36 36 LEU H H 1 8.249 0.01 . 1 . . . . . 36 L HN . 50122 1 93 . 1 . 1 36 36 LEU CA C 13 52.838 0.1 . 1 . . . . . 36 L CA . 50122 1 94 . 1 . 1 36 36 LEU CB C 13 41.332 0.1 . 1 . . . . . 36 L CB . 50122 1 95 . 1 . 1 36 36 LEU N N 15 125.637 0.1 . 1 . . . . . 36 L N . 50122 1 96 . 1 . 1 37 37 PRO CA C 13 62.676 0.1 . 1 . . . . . 37 P CA . 50122 1 97 . 1 . 1 37 37 PRO CB C 13 31.799 0.1 . 1 . . . . . 37 P CB . 50122 1 98 . 1 . 1 38 38 GLN H H 1 8.372 0.01 . 1 . . . . . 38 Q HN . 50122 1 99 . 1 . 1 38 38 GLN CA C 13 53.194 0.1 . 1 . . . . . 38 Q CA . 50122 1 100 . 1 . 1 38 38 GLN N N 15 121.816 0.1 . 1 . . . . . 38 Q N . 50122 1 101 . 1 . 1 41 41 PRO CA C 13 62.698 0.1 . 1 . . . . . 41 P CA . 50122 1 102 . 1 . 1 41 41 PRO CB C 13 31.788 0.1 . 1 . . . . . 41 P CB . 50122 1 103 . 1 . 1 42 42 GLN H H 1 8.292 0.01 . 1 . . . . . 42 Q HN . 50122 1 104 . 1 . 1 42 42 GLN CA C 13 55.317 0.1 . 1 . . . . . 42 Q CA . 50122 1 105 . 1 . 1 42 42 GLN CB C 13 29.481 0.1 . 1 . . . . . 42 Q CB . 50122 1 106 . 1 . 1 42 42 GLN N N 15 120.491 0.1 . 1 . . . . . 42 Q N . 50122 1 107 . 1 . 1 43 43 ALA H H 1 8.258 0.01 . 1 . . . . . 43 A HN . 50122 1 108 . 1 . 1 43 43 ALA CA C 13 52.168 0.1 . 1 . . . . . 43 A CA . 50122 1 109 . 1 . 1 43 43 ALA CB C 13 19.041 0.1 . 1 . . . . . 43 A CB . 50122 1 110 . 1 . 1 43 43 ALA N N 15 125.921 0.1 . 1 . . . . . 43 A N . 50122 1 111 . 1 . 1 44 44 GLN H H 1 8.240 0.01 . 1 . . . . . 44 Q HN . 50122 1 112 . 1 . 1 44 44 GLN CA C 13 53.341 0.1 . 1 . . . . . 44 Q CA . 50122 1 113 . 1 . 1 44 44 GLN CB C 13 28.718 0.1 . 1 . . . . . 44 Q CB . 50122 1 114 . 1 . 1 44 44 GLN N N 15 120.881 0.1 . 1 . . . . . 44 Q N . 50122 1 115 . 1 . 1 45 45 PRO CA C 13 62.787 0.1 . 1 . . . . . 45 P CA . 50122 1 116 . 1 . 1 45 45 PRO CB C 13 31.953 0.1 . 1 . . . . . 45 P CB . 50122 1 117 . 1 . 1 46 46 LEU H H 1 8.199 0.01 . 1 . . . . . 46 L HN . 50122 1 118 . 1 . 1 46 46 LEU CA C 13 54.786 0.1 . 1 . . . . . 46 L CA . 50122 1 119 . 1 . 1 46 46 LEU CB C 13 42.014 0.1 . 1 . . . . . 46 L CB . 50122 1 120 . 1 . 1 46 46 LEU N N 15 122.475 0.1 . 1 . . . . . 46 L N . 50122 1 121 . 1 . 1 47 47 LEU H H 1 8.083 0.01 . 1 . . . . . 47 L HN . 50122 1 122 . 1 . 1 47 47 LEU CA C 13 52.504 0.1 . 1 . . . . . 47 L CA . 50122 1 123 . 1 . 1 47 47 LEU CB C 13 41.592 0.1 . 1 . . . . . 47 L CB . 50122 1 124 . 1 . 1 47 47 LEU N N 15 124.794 0.1 . 1 . . . . . 47 L N . 50122 1 125 . 1 . 1 48 48 PRO CA C 13 62.676 0.1 . 1 . . . . . 48 P CA . 50122 1 126 . 1 . 1 48 48 PRO CB C 13 31.799 0.1 . 1 . . . . . 48 P CB . 50122 1 127 . 1 . 1 49 49 GLN H H 1 8.320 0.01 . 1 . . . . . 49 Q HN . 50122 1 128 . 1 . 1 49 49 GLN CA C 13 53.194 0.1 . 1 . . . . . 49 Q CA . 50122 1 129 . 1 . 1 49 49 GLN CB C 13 28.817 0.1 . 1 . . . . . 49 Q CB . 50122 1 130 . 1 . 1 49 49 GLN N N 15 121.793 0.1 . 1 . . . . . 49 Q N . 50122 1 131 . 1 . 1 50 50 PRO CA C 13 62.676 0.1 . 1 . . . . . 50 P CA . 50122 1 132 . 1 . 1 50 50 PRO CB C 13 31.799 0.1 . 1 . . . . . 50 P CB . 50122 1 133 . 1 . 1 51 51 GLN H H 1 8.323 0.01 . 1 . . . . . 51 Q HN . 50122 1 134 . 1 . 1 51 51 GLN CA C 13 53.194 0.1 . 1 . . . . . 51 Q CA . 50122 1 135 . 1 . 1 51 51 GLN CB C 13 28.817 0.1 . 1 . . . . . 51 Q CB . 50122 1 136 . 1 . 1 51 51 GLN N N 15 121.778 0.1 . 1 . . . . . 51 Q N . 50122 1 137 . 1 . 1 61 61 PRO CA C 13 62.855 0.1 . 1 . . . . . 61 P CA . 50122 1 138 . 1 . 1 61 61 PRO CB C 13 31.950 0.1 . 1 . . . . . 61 P CB . 50122 1 139 . 1 . 1 62 62 GLY H H 1 8.099 0.01 . 1 . . . . . 62 G HN . 50122 1 140 . 1 . 1 62 62 GLY CA C 13 44.162 0.1 . 1 . . . . . 62 G CA . 50122 1 141 . 1 . 1 62 62 GLY N N 15 109.016 0.1 . 1 . . . . . 62 G N . 50122 1 142 . 1 . 1 63 63 PRO CA C 13 62.696 0.1 . 1 . . . . . 63 P CA . 50122 1 143 . 1 . 1 63 63 PRO CB C 13 31.950 0.1 . 1 . . . . . 63 P CB . 50122 1 144 . 1 . 1 64 64 ALA H H 1 8.268 0.01 . 1 . . . . . 64 A HN . 50122 1 145 . 1 . 1 64 64 ALA CA C 13 52.172 0.1 . 1 . . . . . 64 A CA . 50122 1 146 . 1 . 1 64 64 ALA CB C 13 18.856 0.1 . 1 . . . . . 64 A CB . 50122 1 147 . 1 . 1 64 64 ALA N N 15 124.423 0.1 . 1 . . . . . 64 A N . 50122 1 148 . 1 . 1 65 65 VAL H H 1 7.984 0.01 . 1 . . . . . 65 V HN . 50122 1 149 . 1 . 1 65 65 VAL CA C 13 61.798 0.1 . 1 . . . . . 65 V CA . 50122 1 150 . 1 . 1 65 65 VAL CB C 13 32.729 0.1 . 1 . . . . . 65 V CB . 50122 1 151 . 1 . 1 65 65 VAL N N 15 120.038 0.1 . 1 . . . . . 65 V N . 50122 1 152 . 1 . 1 66 66 ALA H H 1 8.245 0.01 . 1 . . . . . 66 A HN . 50122 1 153 . 1 . 1 66 66 ALA CA C 13 52.084 0.1 . 1 . . . . . 66 A CA . 50122 1 154 . 1 . 1 66 66 ALA CB C 13 19.105 0.1 . 1 . . . . . 66 A CB . 50122 1 155 . 1 . 1 66 66 ALA N N 15 128.116 0.1 . 1 . . . . . 66 A N . 50122 1 156 . 1 . 1 67 67 GLU H H 1 8.201 0.01 . 1 . . . . . 67 E HN . 50122 1 157 . 1 . 1 67 67 GLU CA C 13 55.927 0.1 . 1 . . . . . 67 E CA . 50122 1 158 . 1 . 1 67 67 GLU CB C 13 30.287 0.1 . 1 . . . . . 67 E CB . 50122 1 159 . 1 . 1 67 67 GLU N N 15 120.651 0.1 . 1 . . . . . 67 E N . 50122 1 160 . 1 . 1 68 68 GLU H H 1 8.305 0.01 . 1 . . . . . 68 E HN . 50122 1 161 . 1 . 1 68 68 GLU CA C 13 54.075 0.1 . 1 . . . . . 68 E CA . 50122 1 162 . 1 . 1 68 68 GLU N N 15 124.154 0.1 . 1 . . . . . 68 E N . 50122 1 163 . 1 . 1 69 69 PRO CA C 13 62.842 0.1 . 1 . . . . . 69 P CA . 50122 1 164 . 1 . 1 69 69 PRO CB C 13 31.886 0.1 . 1 . . . . . 69 P CB . 50122 1 165 . 1 . 1 70 70 LEU H H 1 8.139 0.01 . 1 . . . . . 70 L HN . 50122 1 166 . 1 . 1 70 70 LEU CA C 13 55.207 0.1 . 1 . . . . . 70 L CA . 50122 1 167 . 1 . 1 70 70 LEU CB C 13 42.067 0.1 . 1 . . . . . 70 L CB . 50122 1 168 . 1 . 1 70 70 LEU N N 15 121.502 0.1 . 1 . . . . . 70 L N . 50122 1 169 . 1 . 1 71 71 HIS H H 1 8.300 0.01 . 1 . . . . . 71 H HN . 50122 1 170 . 1 . 1 71 71 HIS CA C 13 54.755 0.1 . 1 . . . . . 71 H CA . 50122 1 171 . 1 . 1 71 71 HIS CB C 13 28.809 0.1 . 1 . . . . . 71 H CB . 50122 1 172 . 1 . 1 71 71 HIS N N 15 119.401 0.1 . 1 . . . . . 71 H N . 50122 1 173 . 1 . 1 72 72 ARG H H 1 8.298 0.01 . 1 . . . . . 72 R HN . 50122 1 174 . 1 . 1 72 72 ARG CA C 13 53.735 0.1 . 1 . . . . . 72 R CA . 50122 1 175 . 1 . 1 72 72 ARG CB C 13 29.794 0.1 . 1 . . . . . 72 R CB . 50122 1 176 . 1 . 1 72 72 ARG N N 15 125.174 0.1 . 1 . . . . . 72 R N . 50122 1 stop_ save_