################################### # 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 15767 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.23 _Assigned_chem_shift_list.Chem_shift_15N_err 0.16 _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' . . . 15767 1 2 '3D HNCO' . . . 15767 1 3 '3D HNCACB' . . . 15767 1 4 '3D CBCA(CO)NH' . . . 15767 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 SER C C 13 176.38 0.23 . 1 . . . . 2 S C . 15767 1 2 . 1 1 2 2 SER CA C 13 59.64 0.23 . 1 . . . . 2 S CA . 15767 1 3 . 1 1 2 2 SER CB C 13 64.13 0.23 . 1 . . . . 2 S CB . 15767 1 4 . 1 1 3 3 THR H H 1 7.87 0.02 . 1 . . . . 3 T HN . 15767 1 5 . 1 1 3 3 THR C C 13 174.04 0.23 . 1 . . . . 3 T C . 15767 1 6 . 1 1 3 3 THR CA C 13 61.21 0.23 . 1 . . . . 3 T CA . 15767 1 7 . 1 1 3 3 THR CB C 13 69.29 0.23 . 1 . . . . 3 T CB . 15767 1 8 . 1 1 3 3 THR N N 15 110.89 0.16 . 1 . . . . 3 T N . 15767 1 9 . 1 1 4 4 ASN H H 1 8.11 0.02 . 1 . . . . 4 N HN . 15767 1 10 . 1 1 4 4 ASN CA C 13 51.33 0.23 . 1 . . . . 4 N CA . 15767 1 11 . 1 1 4 4 ASN CB C 13 38.11 0.23 . 1 . . . . 4 N CB . 15767 1 12 . 1 1 4 4 ASN N N 15 120.72 0.16 . 1 . . . . 4 N N . 15767 1 13 . 1 1 5 5 PRO C C 13 176.16 0.23 . 1 . . . . 5 P C . 15767 1 14 . 1 1 5 5 PRO CA C 13 63.42 0.23 . 1 . . . . 5 P CA . 15767 1 15 . 1 1 5 5 PRO CB C 13 31.81 0.23 . 1 . . . . 5 P CB . 15767 1 16 . 1 1 6 6 LYS H H 1 8.08 0.02 . 1 . . . . 6 K HN . 15767 1 17 . 1 1 6 6 LYS CA C 13 54.54 0.23 . 1 . . . . 6 K CA . 15767 1 18 . 1 1 6 6 LYS CB C 13 32.33 0.23 . 1 . . . . 6 K CB . 15767 1 19 . 1 1 6 6 LYS N N 15 120.37 0.16 . 1 . . . . 6 K N . 15767 1 20 . 1 1 9 9 ARG C C 13 176.69 0.23 . 1 . . . . 9 R C . 15767 1 21 . 1 1 9 9 ARG CA C 13 57.05 0.23 . 1 . . . . 9 R CA . 15767 1 22 . 1 1 9 9 ARG CB C 13 30.54 0.23 . 1 . . . . 9 R CB . 15767 1 23 . 1 1 10 10 LYS H H 1 8.18 0.02 . 1 . . . . 10 K HN . 15767 1 24 . 1 1 10 10 LYS C C 13 176.80 0.23 . 1 . . . . 10 K C . 15767 1 25 . 1 1 10 10 LYS CA C 13 57.25 0.23 . 1 . . . . 10 K CA . 15767 1 26 . 1 1 10 10 LYS CB C 13 32.69 0.23 . 1 . . . . 10 K CB . 15767 1 27 . 1 1 10 10 LYS N N 15 120.58 0.16 . 1 . . . . 10 K N . 15767 1 28 . 1 1 11 11 THR H H 1 8.01 0.02 . 1 . . . . 11 T HN . 15767 1 29 . 1 1 11 11 THR C C 13 175.01 0.23 . 1 . . . . 11 T C . 15767 1 30 . 1 1 11 11 THR CA C 13 62.28 0.23 . 1 . . . . 11 T CA . 15767 1 31 . 1 1 11 11 THR CB C 13 70.31 0.23 . 1 . . . . 11 T CB . 15767 1 32 . 1 1 11 11 THR N N 15 112.70 0.16 . 1 . . . . 11 T N . 15767 1 33 . 1 1 12 12 LYS H H 1 8.13 0.02 . 1 . . . . 12 K HN . 15767 1 34 . 1 1 12 12 LYS C C 13 177.00 0.23 . 1 . . . . 12 K C . 15767 1 35 . 1 1 12 12 LYS CA C 13 57.30 0.23 . 1 . . . . 12 K CA . 15767 1 36 . 1 1 12 12 LYS CB C 13 32.53 0.23 . 1 . . . . 12 K CB . 15767 1 37 . 1 1 12 12 LYS N N 15 121.89 0.16 . 1 . . . . 12 K N . 15767 1 38 . 1 1 13 13 ARG H H 1 8.15 0.02 . 1 . . . . 13 R HN . 15767 1 39 . 1 1 13 13 ARG C C 13 176.41 0.23 . 1 . . . . 13 R C . 15767 1 40 . 1 1 13 13 ARG CA C 13 57.04 0.23 . 1 . . . . 13 R CA . 15767 1 41 . 1 1 13 13 ARG CB C 13 30.66 0.23 . 1 . . . . 13 R CB . 15767 1 42 . 1 1 13 13 ARG N N 15 119.63 0.16 . 1 . . . . 13 R N . 15767 1 43 . 1 1 14 14 ASN H H 1 8.25 0.02 . 1 . . . . 14 N HN . 15767 1 44 . 1 1 14 14 ASN C C 13 175.55 0.23 . 1 . . . . 14 N C . 15767 1 45 . 1 1 14 14 ASN CA C 13 53.67 0.23 . 1 . . . . 14 N CA . 15767 1 46 . 1 1 14 14 ASN CB C 13 38.52 0.23 . 1 . . . . 14 N CB . 15767 1 47 . 1 1 14 14 ASN N N 15 117.57 0.16 . 1 . . . . 14 N N . 15767 1 48 . 1 1 15 15 THR H H 1 7.93 0.02 . 1 . . . . 15 T HN . 15767 1 49 . 1 1 15 15 THR C C 13 174.22 0.23 . 1 . . . . 15 T C . 15767 1 50 . 1 1 15 15 THR CA C 13 62.23 0.23 . 1 . . . . 15 T CA . 15767 1 51 . 1 1 15 15 THR CB C 13 69.77 0.23 . 1 . . . . 15 T CB . 15767 1 52 . 1 1 15 15 THR N N 15 112.16 0.16 . 1 . . . . 15 T N . 15767 1 53 . 1 1 16 16 ASN H H 1 8.18 0.02 . 1 . . . . 16 N HN . 15767 1 54 . 1 1 16 16 ASN C C 13 174.55 0.23 . 1 . . . . 16 N C . 15767 1 55 . 1 1 16 16 ASN CA C 13 53.45 0.23 . 1 . . . . 16 N CA . 15767 1 56 . 1 1 16 16 ASN CB C 13 38.68 0.23 . 1 . . . . 16 N CB . 15767 1 57 . 1 1 16 16 ASN N N 15 119.87 0.16 . 1 . . . . 16 N N . 15767 1 58 . 1 1 17 17 ARG H H 1 7.99 0.02 . 1 . . . . 17 R HN . 15767 1 59 . 1 1 17 17 ARG C C 13 175.38 0.23 . 1 . . . . 17 R C . 15767 1 60 . 1 1 17 17 ARG CA C 13 55.81 0.23 . 1 . . . . 17 R CA . 15767 1 61 . 1 1 17 17 ARG CB C 13 31.14 0.23 . 1 . . . . 17 R CB . 15767 1 62 . 1 1 17 17 ARG N N 15 119.95 0.16 . 1 . . . . 17 R N . 15767 1 63 . 1 1 18 18 ARG H H 1 8.45 0.02 . 1 . . . . 18 R HN . 15767 1 64 . 1 1 18 18 ARG CA C 13 53.89 0.23 . 1 . . . . 18 R CA . 15767 1 65 . 1 1 18 18 ARG CB C 13 30.18 0.23 . 1 . . . . 18 R CB . 15767 1 66 . 1 1 18 18 ARG N N 15 121.68 0.16 . 1 . . . . 18 R N . 15767 1 67 . 1 1 19 19 PRO C C 13 177.46 0.23 . 1 . . . . 19 P C . 15767 1 68 . 1 1 19 19 PRO CA C 13 64.76 0.23 . 1 . . . . 19 P CA . 15767 1 69 . 1 1 19 19 PRO CB C 13 31.53 0.23 . 1 . . . . 19 P CB . 15767 1 70 . 1 1 20 20 GLN H H 1 8.80 0.02 . 1 . . . . 20 Q HN . 15767 1 71 . 1 1 20 20 GLN C C 13 175.80 0.23 . 1 . . . . 20 Q C . 15767 1 72 . 1 1 20 20 GLN CA C 13 57.25 0.23 . 1 . . . . 20 Q CA . 15767 1 73 . 1 1 20 20 GLN CB C 13 28.19 0.23 . 1 . . . . 20 Q CB . 15767 1 74 . 1 1 20 20 GLN N N 15 115.66 0.16 . 1 . . . . 20 Q N . 15767 1 75 . 1 1 21 21 ASP H H 1 8.07 0.02 . 1 . . . . 21 D HN . 15767 1 76 . 1 1 21 21 ASP C C 13 176.21 0.23 . 1 . . . . 21 D C . 15767 1 77 . 1 1 21 21 ASP CA C 13 54.86 0.23 . 1 . . . . 21 D CA . 15767 1 78 . 1 1 21 21 ASP CB C 13 41.20 0.23 . 1 . . . . 21 D CB . 15767 1 79 . 1 1 21 21 ASP N N 15 119.56 0.16 . 1 . . . . 21 D N . 15767 1 80 . 1 1 22 22 VAL H H 1 7.60 0.02 . 1 . . . . 22 V HN . 15767 1 81 . 1 1 22 22 VAL C C 13 175.66 0.23 . 1 . . . . 22 V C . 15767 1 82 . 1 1 22 22 VAL CA C 13 63.17 0.23 . 1 . . . . 22 V CA . 15767 1 83 . 1 1 22 22 VAL CB C 13 32.15 0.23 . 1 . . . . 22 V CB . 15767 1 84 . 1 1 22 22 VAL N N 15 119.34 0.16 . 1 . . . . 22 V N . 15767 1 85 . 1 1 23 23 LYS H H 1 7.86 0.02 . 1 . . . . 23 K HN . 15767 1 86 . 1 1 23 23 LYS C C 13 175.26 0.23 . 1 . . . . 23 K C . 15767 1 87 . 1 1 23 23 LYS CA C 13 55.76 0.23 . 1 . . . . 23 K CA . 15767 1 88 . 1 1 23 23 LYS CB C 13 33.01 0.23 . 1 . . . . 23 K CB . 15767 1 89 . 1 1 23 23 LYS N N 15 122.35 0.16 . 1 . . . . 23 K N . 15767 1 90 . 1 1 24 24 PHE H H 1 7.88 0.02 . 1 . . . . 24 F HN . 15767 1 91 . 1 1 24 24 PHE CA C 13 55.42 0.23 . 1 . . . . 24 F CA . 15767 1 92 . 1 1 24 24 PHE CB C 13 39.46 0.23 . 1 . . . . 24 F CB . 15767 1 93 . 1 1 24 24 PHE N N 15 119.95 0.16 . 1 . . . . 24 F N . 15767 1 94 . 1 1 25 25 PRO C C 13 177.11 0.23 . 1 . . . . 25 P C . 15767 1 95 . 1 1 25 25 PRO CA C 13 63.78 0.23 . 1 . . . . 25 P CA . 15767 1 96 . 1 1 25 25 PRO CB C 13 31.34 0.23 . 1 . . . . 25 P CB . 15767 1 97 . 1 1 26 26 GLY H H 1 7.83 0.02 . 1 . . . . 26 G HN . 15767 1 98 . 1 1 26 26 GLY C C 13 174.92 0.23 . 1 . . . . 26 G C . 15767 1 99 . 1 1 26 26 GLY CA C 13 45.42 0.23 . 1 . . . . 26 G CA . 15767 1 100 . 1 1 26 26 GLY N N 15 107.84 0.16 . 1 . . . . 26 G N . 15767 1 101 . 1 1 27 27 GLY H H 1 8.25 0.02 . 1 . . . . 27 G HN . 15767 1 102 . 1 1 27 27 GLY C C 13 174.96 0.23 . 1 . . . . 27 G C . 15767 1 103 . 1 1 27 27 GLY CA C 13 46.01 0.23 . 1 . . . . 27 G CA . 15767 1 104 . 1 1 27 27 GLY N N 15 107.66 0.16 . 1 . . . . 27 G N . 15767 1 105 . 1 1 28 28 GLY H H 1 8.32 0.02 . 1 . . . . 28 G HN . 15767 1 106 . 1 1 28 28 GLY C C 13 174.66 0.23 . 1 . . . . 28 G C . 15767 1 107 . 1 1 28 28 GLY CA C 13 45.85 0.23 . 1 . . . . 28 G CA . 15767 1 108 . 1 1 28 28 GLY N N 15 107.45 0.16 . 1 . . . . 28 G N . 15767 1 109 . 1 1 29 29 GLN H H 1 8.14 0.02 . 1 . . . . 29 Q HN . 15767 1 110 . 1 1 29 29 GLN C C 13 176.57 0.23 . 1 . . . . 29 Q C . 15767 1 111 . 1 1 29 29 GLN CA C 13 57.04 0.23 . 1 . . . . 29 Q CA . 15767 1 112 . 1 1 29 29 GLN CB C 13 29.16 0.23 . 1 . . . . 29 Q CB . 15767 1 113 . 1 1 29 29 GLN N N 15 118.57 0.16 . 1 . . . . 29 Q N . 15767 1 114 . 1 1 30 30 ILE H H 1 7.85 0.02 . 1 . . . . 30 I HN . 15767 1 115 . 1 1 30 30 ILE C C 13 176.95 0.23 . 1 . . . . 30 I C . 15767 1 116 . 1 1 30 30 ILE CA C 13 62.66 0.23 . 1 . . . . 30 I CA . 15767 1 117 . 1 1 30 30 ILE CB C 13 38.45 0.23 . 1 . . . . 30 I CB . 15767 1 118 . 1 1 30 30 ILE N N 15 119.77 0.16 . 1 . . . . 30 I N . 15767 1 119 . 1 1 31 31 VAL H H 1 7.87 0.02 . 1 . . . . 31 V HN . 15767 1 120 . 1 1 31 31 VAL C C 13 177.07 0.23 . 1 . . . . 31 V C . 15767 1 121 . 1 1 31 31 VAL CA C 13 64.02 0.23 . 1 . . . . 31 V CA . 15767 1 122 . 1 1 31 31 VAL CB C 13 32.21 0.23 . 1 . . . . 31 V CB . 15767 1 123 . 1 1 31 31 VAL N N 15 120.62 0.16 . 1 . . . . 31 V N . 15767 1 124 . 1 1 32 32 GLY H H 1 8.13 0.02 . 1 . . . . 32 G HN . 15767 1 125 . 1 1 32 32 GLY C C 13 174.87 0.23 . 1 . . . . 32 G C . 15767 1 126 . 1 1 32 32 GLY CA C 13 45.90 0.23 . 1 . . . . 32 G CA . 15767 1 127 . 1 1 32 32 GLY N N 15 108.30 0.16 . 1 . . . . 32 G N . 15767 1 128 . 1 1 33 33 GLY H H 1 7.90 0.02 . 1 . . . . 33 G HN . 15767 1 129 . 1 1 33 33 GLY C C 13 174.87 0.23 . 1 . . . . 33 G C . 15767 1 130 . 1 1 33 33 GLY CA C 13 46.07 0.23 . 1 . . . . 33 G CA . 15767 1 131 . 1 1 33 33 GLY N N 15 106.60 0.16 . 1 . . . . 33 G N . 15767 1 132 . 1 1 34 34 VAL H H 1 7.76 0.02 . 1 . . . . 34 V HN . 15767 1 133 . 1 1 34 34 VAL C C 13 176.68 0.23 . 1 . . . . 34 V C . 15767 1 134 . 1 1 34 34 VAL CA C 13 64.29 0.23 . 1 . . . . 34 V CA . 15767 1 135 . 1 1 34 34 VAL CB C 13 32.20 0.23 . 1 . . . . 34 V CB . 15767 1 136 . 1 1 34 34 VAL N N 15 118.21 0.16 . 1 . . . . 34 V N . 15767 1 137 . 1 1 35 35 TYR H H 1 7.75 0.02 . 1 . . . . 35 Y HN . 15767 1 138 . 1 1 35 35 TYR C C 13 176.17 0.23 . 1 . . . . 35 Y C . 15767 1 139 . 1 1 35 35 TYR CA C 13 59.12 0.23 . 1 . . . . 35 Y CA . 15767 1 140 . 1 1 35 35 TYR CB C 13 38.36 0.23 . 1 . . . . 35 Y CB . 15767 1 141 . 1 1 35 35 TYR N N 15 119.13 0.16 . 1 . . . . 35 Y N . 15767 1 142 . 1 1 36 36 LEU H H 1 7.82 0.02 . 1 . . . . 36 L HN . 15767 1 143 . 1 1 36 36 LEU C C 13 177.29 0.23 . 1 . . . . 36 L C . 15767 1 144 . 1 1 36 36 LEU CA C 13 55.35 0.23 . 1 . . . . 36 L CA . 15767 1 145 . 1 1 36 36 LEU CB C 13 42.69 0.23 . 1 . . . . 36 L CB . 15767 1 146 . 1 1 36 36 LEU N N 15 118.99 0.16 . 1 . . . . 36 L N . 15767 1 147 . 1 1 37 37 LEU H H 1 7.62 0.02 . 1 . . . . 37 L HN . 15767 1 148 . 1 1 37 37 LEU N N 15 120.76 0.16 . 1 . . . . 37 L N . 15767 1 149 . 1 1 40 40 ARG C C 13 175.99 0.23 . 1 . . . . 40 R C . 15767 1 150 . 1 1 40 40 ARG CA C 13 56.31 0.23 . 1 . . . . 40 R CA . 15767 1 151 . 1 1 40 40 ARG CB C 13 31.06 0.23 . 1 . . . . 40 R CB . 15767 1 152 . 1 1 41 41 GLY H H 1 8.02 0.02 . 1 . . . . 41 G HN . 15767 1 153 . 1 1 41 41 GLY CA C 13 45.00 0.23 . 1 . . . . 41 G CA . 15767 1 154 . 1 1 41 41 GLY N N 15 107.88 0.16 . 1 . . . . 41 G N . 15767 1 155 . 1 1 56 56 SER C C 13 173.82 0.23 . 1 . . . . 56 S C . 15767 1 156 . 1 1 56 56 SER CA C 13 58.88 0.23 . 1 . . . . 56 S CA . 15767 1 157 . 1 1 56 56 SER CB C 13 64.06 0.23 . 1 . . . . 56 S CB . 15767 1 158 . 1 1 57 57 GLN H H 1 7.63 0.02 . 1 . . . . 57 Q HN . 15767 1 159 . 1 1 57 57 GLN CA C 13 54.06 0.23 . 1 . . . . 57 Q CA . 15767 1 160 . 1 1 57 57 GLN CB C 13 28.78 0.23 . 1 . . . . 57 Q CB . 15767 1 161 . 1 1 57 57 GLN N N 15 120.83 0.16 . 1 . . . . 57 Q N . 15767 1 162 . 1 1 58 58 PRO C C 13 176.90 0.23 . 1 . . . . 58 P C . 15767 1 163 . 1 1 58 58 PRO CA C 13 63.73 0.23 . 1 . . . . 58 P CA . 15767 1 164 . 1 1 58 58 PRO CB C 13 31.45 0.23 . 1 . . . . 58 P CB . 15767 1 165 . 1 1 59 59 ARG H H 1 8.16 0.02 . 1 . . . . 59 R HN . 15767 1 166 . 1 1 59 59 ARG C C 13 176.58 0.23 . 1 . . . . 59 R C . 15767 1 167 . 1 1 59 59 ARG CA C 13 56.29 0.23 . 1 . . . . 59 R CA . 15767 1 168 . 1 1 59 59 ARG CB C 13 30.82 0.23 . 1 . . . . 59 R CB . 15767 1 169 . 1 1 59 59 ARG N N 15 119.49 0.16 . 1 . . . . 59 R N . 15767 1 170 . 1 1 60 60 GLY H H 1 8.19 0.02 . 1 . . . . 60 G HN . 15767 1 171 . 1 1 60 60 GLY C C 13 173.89 0.23 . 1 . . . . 60 G C . 15767 1 172 . 1 1 60 60 GLY CA C 13 45.21 0.23 . 1 . . . . 60 G CA . 15767 1 173 . 1 1 60 60 GLY N N 15 107.70 0.16 . 1 . . . . 60 G N . 15767 1 174 . 1 1 61 61 ARG H H 1 7.92 0.02 . 1 . . . . 61 R HN . 15767 1 175 . 1 1 61 61 ARG CA C 13 56.09 0.23 . 1 . . . . 61 R CA . 15767 1 176 . 1 1 61 61 ARG CB C 13 30.82 0.23 . 1 . . . . 61 R CB . 15767 1 177 . 1 1 61 61 ARG N N 15 119.03 0.16 . 1 . . . . 61 R N . 15767 1 178 . 1 1 64 64 PRO C C 13 175.74 0.23 . 1 . . . . 64 P C . 15767 1 179 . 1 1 64 64 PRO CA C 13 62.99 0.23 . 1 . . . . 64 P CA . 15767 1 180 . 1 1 64 64 PRO CB C 13 31.50 0.23 . 1 . . . . 64 P CB . 15767 1 181 . 1 1 65 65 ILE H H 1 7.69 0.02 . 1 . . . . 65 I HN . 15767 1 182 . 1 1 65 65 ILE CA C 13 58.72 0.23 . 1 . . . . 65 I CA . 15767 1 183 . 1 1 65 65 ILE CB C 13 39.24 0.23 . 1 . . . . 65 I CB . 15767 1 184 . 1 1 65 65 ILE N N 15 120.05 0.16 . 1 . . . . 65 I N . 15767 1 185 . 1 1 66 66 PRO C C 13 176.49 0.23 . 1 . . . . 66 P C . 15767 1 186 . 1 1 66 66 PRO CA C 13 63.49 0.23 . 1 . . . . 66 P CA . 15767 1 187 . 1 1 66 66 PRO CB C 13 31.64 0.23 . 1 . . . . 66 P CB . 15767 1 188 . 1 1 67 67 LYS H H 1 7.94 0.02 . 1 . . . . 67 K HN . 15767 1 189 . 1 1 67 67 LYS C C 13 176.13 0.23 . 1 . . . . 67 K C . 15767 1 190 . 1 1 67 67 LYS CA C 13 56.77 0.23 . 1 . . . . 67 K CA . 15767 1 191 . 1 1 67 67 LYS CB C 13 33.12 0.23 . 1 . . . . 67 K CB . 15767 1 192 . 1 1 67 67 LYS N N 15 120.09 0.16 . 1 . . . . 67 K N . 15767 1 193 . 1 1 68 68 ALA H H 1 7.90 0.02 . 1 . . . . 68 A HN . 15767 1 194 . 1 1 68 68 ALA C C 13 177.18 0.23 . 1 . . . . 68 A C . 15767 1 195 . 1 1 68 68 ALA CA C 13 52.70 0.23 . 1 . . . . 68 A CA . 15767 1 196 . 1 1 68 68 ALA CB C 13 18.78 0.23 . 1 . . . . 68 A CB . 15767 1 197 . 1 1 68 68 ALA N N 15 122.07 0.16 . 1 . . . . 68 A N . 15767 1 198 . 1 1 69 69 ARG H H 1 7.90 0.02 . 1 . . . . 69 R HN . 15767 1 199 . 1 1 69 69 ARG C C 13 175.36 0.23 . 1 . . . . 69 R C . 15767 1 200 . 1 1 69 69 ARG CA C 13 55.38 0.23 . 1 . . . . 69 R CA . 15767 1 201 . 1 1 69 69 ARG CB C 13 30.98 0.23 . 1 . . . . 69 R CB . 15767 1 202 . 1 1 69 69 ARG N N 15 117.82 0.16 . 1 . . . . 69 R N . 15767 1 203 . 1 1 70 70 ARG H H 1 7.97 0.02 . 1 . . . . 70 R HN . 15767 1 204 . 1 1 70 70 ARG CA C 13 53.87 0.23 . 1 . . . . 70 R CA . 15767 1 205 . 1 1 70 70 ARG CB C 13 30.04 0.23 . 1 . . . . 70 R CB . 15767 1 206 . 1 1 70 70 ARG N N 15 120.87 0.16 . 1 . . . . 70 R N . 15767 1 207 . 1 1 71 71 PRO C C 13 177.27 0.23 . 1 . . . . 71 P C . 15767 1 208 . 1 1 71 71 PRO CA C 13 64.37 0.23 . 1 . . . . 71 P CA . 15767 1 209 . 1 1 71 71 PRO CB C 13 31.51 0.23 . 1 . . . . 71 P CB . 15767 1 210 . 1 1 72 72 GLU H H 1 9.18 0.02 . 1 . . . . 72 E HN . 15767 1 211 . 1 1 72 72 GLU C C 13 177.06 0.23 . 1 . . . . 72 E C . 15767 1 212 . 1 1 72 72 GLU CA C 13 57.79 0.23 . 1 . . . . 72 E CA . 15767 1 213 . 1 1 72 72 GLU CB C 13 29.16 0.23 . 1 . . . . 72 E CB . 15767 1 214 . 1 1 72 72 GLU N N 15 119.41 0.16 . 1 . . . . 72 E N . 15767 1 215 . 1 1 73 73 GLY H H 1 8.14 0.02 . 1 . . . . 73 G HN . 15767 1 216 . 1 1 73 73 GLY C C 13 174.42 0.23 . 1 . . . . 73 G C . 15767 1 217 . 1 1 73 73 GLY CA C 13 45.53 0.23 . 1 . . . . 73 G CA . 15767 1 218 . 1 1 73 73 GLY N N 15 107.84 0.16 . 1 . . . . 73 G N . 15767 1 219 . 1 1 74 74 ARG H H 1 7.92 0.02 . 1 . . . . 74 R HN . 15767 1 220 . 1 1 74 74 ARG C C 13 176.68 0.23 . 1 . . . . 74 R C . 15767 1 221 . 1 1 74 74 ARG CA C 13 56.40 0.23 . 1 . . . . 74 R CA . 15767 1 222 . 1 1 74 74 ARG CB C 13 30.18 0.23 . 1 . . . . 74 R CB . 15767 1 223 . 1 1 74 74 ARG N N 15 118.89 0.16 . 1 . . . . 74 R N . 15767 1 224 . 1 1 75 75 THR H H 1 7.85 0.02 . 1 . . . . 75 T HN . 15767 1 225 . 1 1 75 75 THR C C 13 174.45 0.23 . 1 . . . . 75 T C . 15767 1 226 . 1 1 75 75 THR CA C 13 62.87 0.23 . 1 . . . . 75 T CA . 15767 1 227 . 1 1 75 75 THR CB C 13 69.56 0.23 . 1 . . . . 75 T CB . 15767 1 228 . 1 1 75 75 THR N N 15 112.51 0.16 . 1 . . . . 75 T N . 15767 1 229 . 1 1 76 76 TRP H H 1 7.49 0.02 . 1 . . . . 76 W HN . 15767 1 230 . 1 1 76 76 TRP C C 13 175.59 0.23 . 1 . . . . 76 W C . 15767 1 231 . 1 1 76 76 TRP CA C 13 57.14 0.23 . 1 . . . . 76 W CA . 15767 1 232 . 1 1 76 76 TRP CB C 13 29.05 0.23 . 1 . . . . 76 W CB . 15767 1 233 . 1 1 76 76 TRP N N 15 119.91 0.16 . 1 . . . . 76 W N . 15767 1 234 . 1 1 77 77 ALA H H 1 7.45 0.02 . 1 . . . . 77 A HN . 15767 1 235 . 1 1 77 77 ALA C C 13 176.50 0.23 . 1 . . . . 77 A C . 15767 1 236 . 1 1 77 77 ALA CA C 13 52.06 0.23 . 1 . . . . 77 A CA . 15767 1 237 . 1 1 77 77 ALA CB C 13 18.40 0.23 . 1 . . . . 77 A CB . 15767 1 238 . 1 1 77 77 ALA N N 15 122.63 0.16 . 1 . . . . 77 A N . 15767 1 239 . 1 1 78 78 GLN H H 1 7.69 0.02 . 1 . . . . 78 Q HN . 15767 1 240 . 1 1 78 78 GLN CA C 13 53.52 0.23 . 1 . . . . 78 Q CA . 15767 1 241 . 1 1 78 78 GLN CB C 13 29.16 0.23 . 1 . . . . 78 Q CB . 15767 1 242 . 1 1 78 78 GLN N N 15 118.57 0.16 . 1 . . . . 78 Q N . 15767 1 243 . 1 1 79 79 PRO C C 13 176.93 0.23 . 1 . . . . 79 P C . 15767 1 244 . 1 1 79 79 PRO CA C 13 63.80 0.23 . 1 . . . . 79 P CA . 15767 1 245 . 1 1 79 79 PRO CB C 13 31.53 0.23 . 1 . . . . 79 P CB . 15767 1 246 . 1 1 80 80 GLY H H 1 8.26 0.02 . 1 . . . . 80 G HN . 15767 1 247 . 1 1 80 80 GLY C C 13 173.51 0.23 . 1 . . . . 80 G C . 15767 1 248 . 1 1 80 80 GLY CA C 13 44.78 0.23 . 1 . . . . 80 G CA . 15767 1 249 . 1 1 80 80 GLY N N 15 107.35 0.16 . 1 . . . . 80 G N . 15767 1 250 . 1 1 81 81 TYR H H 1 7.85 0.02 . 1 . . . . 81 Y HN . 15767 1 251 . 1 1 81 81 TYR CA C 13 57.48 0.23 . 1 . . . . 81 Y CA . 15767 1 252 . 1 1 81 81 TYR CB C 13 38.41 0.23 . 1 . . . . 81 Y CB . 15767 1 253 . 1 1 81 81 TYR N N 15 120.72 0.16 . 1 . . . . 81 Y N . 15767 1 stop_ save_