################################### # 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 27953 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 27953 1 2 '3D CBCA(CO)NH' . . . 27953 1 3 '3D HNCACB' . . . 27953 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $TOPSPIN . . 27953 1 2 $NMRPipe . . 27953 1 3 $SPARKY . . 27953 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 6 6 ASP H H 1 8.26757 0.02 . 1 . . . . . 4 D H . 27953 1 2 . 1 . 1 6 6 ASP CA C 13 53.0753 0.2 . 1 . . . . . 4 D CA . 27953 1 3 . 1 . 1 6 6 ASP CB C 13 41.0043 0.2 . 1 . . . . . 4 D CB . 27953 1 4 . 1 . 1 6 6 ASP N N 15 122.553 0.2 . 1 . . . . . 4 D N . 27953 1 5 . 1 . 1 7 7 TYR H H 1 8.00243 0.02 . 1 . . . . . 5 Y H . 27953 1 6 . 1 . 1 7 7 TYR CA C 13 58.3663 0.2 . 1 . . . . . 5 Y CA . 27953 1 7 . 1 . 1 7 7 TYR CB C 13 37.709 0.2 . 1 . . . . . 5 Y CB . 27953 1 8 . 1 . 1 7 7 TYR N N 15 121.254 0.2 . 1 . . . . . 5 Y N . 27953 1 9 . 1 . 1 8 8 TYR H H 1 7.69257 0.02 . 1 . . . . . 6 Y H . 27953 1 10 . 1 . 1 8 8 TYR CA C 13 62.7553 0.2 . 1 . . . . . 6 Y CA . 27953 1 11 . 1 . 1 8 8 TYR CB C 13 36.277 0.2 . 1 . . . . . 6 Y CB . 27953 1 12 . 1 . 1 8 8 TYR N N 15 115.643 0.2 . 1 . . . . . 6 Y N . 27953 1 13 . 1 . 1 9 9 ALA H H 1 7.84914 0.02 . 1 . . . . . 7 A H . 27953 1 14 . 1 . 1 9 9 ALA CA C 13 54.7657 0.2 . 1 . . . . . 7 A CA . 27953 1 15 . 1 . 1 9 9 ALA CB C 13 18.1137 0.2 . 1 . . . . . 7 A CB . 27953 1 16 . 1 . 1 9 9 ALA N N 15 122.317 0.2 . 1 . . . . . 7 A N . 27953 1 17 . 1 . 1 10 10 VAL H H 1 7.896 0.02 . 1 . . . . . 8 V H . 27953 1 18 . 1 . 1 10 10 VAL CA C 13 66.069 0.2 . 1 . . . . . 8 V CA . 27953 1 19 . 1 . 1 10 10 VAL CB C 13 31.461 0.2 . 1 . . . . . 8 V CB . 27953 1 20 . 1 . 1 10 10 VAL N N 15 119.455 0.2 . 1 . . . . . 8 V N . 27953 1 21 . 1 . 1 11 11 LEU H H 1 6.87429 0.02 . 1 . . . . . 9 L H . 27953 1 22 . 1 . 1 11 11 LEU CA C 13 53.9427 0.2 . 1 . . . . . 9 L CA . 27953 1 23 . 1 . 1 11 11 LEU CB C 13 42.4057 0.2 . 1 . . . . . 9 L CB . 27953 1 24 . 1 . 1 11 11 LEU N N 15 114.81 0.2 . 1 . . . . . 9 L N . 27953 1 25 . 1 . 1 12 12 GLY H H 1 7.92567 0.02 . 1 . . . . . 10 G H . 27953 1 26 . 1 . 1 12 12 GLY CA C 13 46.28 0.2 . 1 . . . . . 10 G CA . 27953 1 27 . 1 . 1 12 12 GLY N N 15 108.328 0.2 . 1 . . . . . 10 G N . 27953 1 28 . 1 . 1 13 13 LEU H H 1 8.20468 0.02 . 1 . . . . . 11 L H . 27953 1 29 . 1 . 1 13 13 LEU CA C 13 53.08 0.2 . 1 . . . . . 11 L CA . 27953 1 30 . 1 . 1 13 13 LEU CB C 13 48.5463 0.2 . 1 . . . . . 11 L CB . 27953 1 31 . 1 . 1 13 13 LEU N N 15 120.064 0.2 . 1 . . . . . 11 L N . 27953 1 32 . 1 . 1 14 14 THR H H 1 7.82586 0.02 . 1 . . . . . 12 T H . 27953 1 33 . 1 . 1 14 14 THR CA C 13 59.7323 0.2 . 1 . . . . . 12 T CA . 27953 1 34 . 1 . 1 14 14 THR CB C 13 71.27 0.2 . 1 . . . . . 12 T CB . 27953 1 35 . 1 . 1 14 14 THR N N 15 109.904 0.2 . 1 . . . . . 12 T N . 27953 1 36 . 1 . 1 15 15 LYS H H 1 8.11057 0.02 . 1 . . . . . 13 K H . 27953 1 37 . 1 . 1 15 15 LYS CA C 13 57.7223 0.2 . 1 . . . . . 13 K CA . 27953 1 38 . 1 . 1 15 15 LYS CB C 13 32.416 0.2 . 1 . . . . . 13 K CB . 27953 1 39 . 1 . 1 15 15 LYS N N 15 117.937 0.2 . 1 . . . . . 13 K N . 27953 1 40 . 1 . 1 16 16 ASP H H 1 7.66286 0.02 . 1 . . . . . 14 D H . 27953 1 41 . 1 . 1 16 16 ASP CA C 13 53.132 0.2 . 1 . . . . . 14 D CA . 27953 1 42 . 1 . 1 16 16 ASP CB C 13 40.043 0.2 . 1 . . . . . 14 D CB . 27953 1 43 . 1 . 1 16 16 ASP N N 15 115.954 0.2 . 1 . . . . . 14 D N . 27953 1 44 . 1 . 1 17 17 CYS H H 1 7.572 0.02 . 1 . . . . . 15 C H . 27953 1 45 . 1 . 1 17 17 CYS CA C 13 57.2755 0.2 . 1 . . . . . 15 C CA . 27953 1 46 . 1 . 1 17 17 CYS CB C 13 29.069 0.2 . 1 . . . . . 15 C CB . 27953 1 47 . 1 . 1 17 17 CYS N N 15 117.571 0.2 . 1 . . . . . 15 C N . 27953 1 48 . 1 . 1 18 18 THR H H 1 9.28886 0.02 . 1 . . . . . 16 T H . 27953 1 49 . 1 . 1 18 18 THR CA C 13 60.0479 0.2 . 1 . . . . . 16 T CA . 27953 1 50 . 1 . 1 18 18 THR CB C 13 72.148 0.2 . 1 . . . . . 16 T CB . 27953 1 51 . 1 . 1 18 18 THR N N 15 112.241 0.2 . 1 . . . . . 16 T N . 27953 1 52 . 1 . 1 19 19 GLN H H 1 9.02171 0.02 . 1 . . . . . 17 Q H . 27953 1 53 . 1 . 1 19 19 GLN CA C 13 58.5773 0.2 . 1 . . . . . 17 Q CA . 27953 1 54 . 1 . 1 19 19 GLN CB C 13 28.0507 0.2 . 1 . . . . . 17 Q CB . 27953 1 55 . 1 . 1 19 19 GLN N N 15 118.561 0.2 . 1 . . . . . 17 Q N . 27953 1 56 . 1 . 1 20 20 ASP H H 1 8.33757 0.02 . 1 . . . . . 18 D H . 27953 1 57 . 1 . 1 20 20 ASP CA C 13 57.661 0.2 . 1 . . . . . 18 D CA . 27953 1 58 . 1 . 1 20 20 ASP CB C 13 40.936 0.2 . 1 . . . . . 18 D CB . 27953 1 59 . 1 . 1 20 20 ASP N N 15 119.775 0.2 . 1 . . . . . 18 D N . 27953 1 60 . 1 . 1 21 21 ASP CA C 13 57.6375 0.2 . 1 . . . . . 19 D CA . 27953 1 61 . 1 . 1 21 21 ASP CB C 13 41.0405 0.2 . 1 . . . . . 19 D CB . 27953 1 62 . 1 . 1 22 22 ILE H H 1 7.76214 0.02 . 1 . . . . . 20 I H . 27953 1 63 . 1 . 1 22 22 ILE CA C 13 65.7483 0.2 . 1 . . . . . 20 I CA . 27953 1 64 . 1 . 1 22 22 ILE CB C 13 38.5413 0.2 . 1 . . . . . 20 I CB . 27953 1 65 . 1 . 1 22 22 ILE N N 15 121.965 0.2 . 1 . . . . . 20 I N . 27953 1 66 . 1 . 1 23 23 LYS H H 1 7.99214 0.02 . 1 . . . . . 21 K H . 27953 1 67 . 1 . 1 23 23 LYS CA C 13 60.7217 0.2 . 1 . . . . . 21 K CA . 27953 1 68 . 1 . 1 23 23 LYS CB C 13 32.595 0.2 . 1 . . . . . 21 K CB . 27953 1 69 . 1 . 1 23 23 LYS N N 15 119.184 0.2 . 1 . . . . . 21 K N . 27953 1 70 . 1 . 1 24 24 LYS H H 1 8.27274 0.02 . 1 . . . . . 22 K H . 27953 1 71 . 1 . 1 24 24 LYS CA C 13 59.9097 0.2 . 1 . . . . . 22 K CA . 27953 1 72 . 1 . 1 24 24 LYS CB C 13 32.983 0.2 . 1 . . . . . 22 K CB . 27953 1 73 . 1 . 1 24 24 LYS N N 15 118.672 0.2 . 1 . . . . . 22 K N . 27953 1 74 . 1 . 1 25 25 ALA H H 1 8.33986 0.02 . 1 . . . . . 23 A H . 27953 1 75 . 1 . 1 25 25 ALA CA C 13 55.3043 0.2 . 1 . . . . . 23 A CA . 27953 1 76 . 1 . 1 25 25 ALA CB C 13 19.4707 0.2 . 1 . . . . . 23 A CB . 27953 1 77 . 1 . 1 25 25 ALA N N 15 122.428 0.2 . 1 . . . . . 23 A N . 27953 1 78 . 1 . 1 26 26 TYR H H 1 8.42573 0.02 . 1 . . . . . 24 Y H . 27953 1 79 . 1 . 1 26 26 TYR CA C 13 61.6843 0.2 . 1 . . . . . 24 Y CA . 27953 1 80 . 1 . 1 26 26 TYR CB C 13 39.3827 0.2 . 1 . . . . . 24 Y CB . 27953 1 81 . 1 . 1 26 26 TYR N N 15 116.939 0.2 . 1 . . . . . 24 Y N . 27953 1 82 . 1 . 1 27 27 ARG H H 1 7.96357 0.02 . 1 . . . . . 25 R H . 27953 1 83 . 1 . 1 27 27 ARG CA C 13 59.35 0.2 . 1 . . . . . 25 R CA . 27953 1 84 . 1 . 1 27 27 ARG CB C 13 29.599 0.2 . 1 . . . . . 25 R CB . 27953 1 85 . 1 . 1 27 27 ARG N N 15 116.835 0.2 . 1 . . . . . 25 R N . 27953 1 86 . 1 . 1 28 28 LYS H H 1 7.6062 0.02 . 1 . . . . . 26 K H . 27953 1 87 . 1 . 1 28 28 LYS CA C 13 59.2417 0.2 . 1 . . . . . 26 K CA . 27953 1 88 . 1 . 1 28 28 LYS CB C 13 32.5773 0.2 . 1 . . . . . 26 K CB . 27953 1 89 . 1 . 1 28 28 LYS N N 15 117.433 0.2 . 1 . . . . . 26 K N . 27953 1 90 . 1 . 1 29 29 LEU H H 1 8.33957 0.02 . 1 . . . . . 27 L H . 27953 1 91 . 1 . 1 29 29 LEU CA C 13 57.65 0.2 . 1 . . . . . 27 L CA . 27953 1 92 . 1 . 1 29 29 LEU CB C 13 42.3547 0.2 . 1 . . . . . 27 L CB . 27953 1 93 . 1 . 1 29 29 LEU N N 15 121.009 0.2 . 1 . . . . . 27 L N . 27953 1 94 . 1 . 1 30 30 ALA H H 1 9.11586 0.02 . 1 . . . . . 28 A H . 27953 1 95 . 1 . 1 30 30 ALA CA C 13 55.214 0.2 . 1 . . . . . 28 A CA . 27953 1 96 . 1 . 1 30 30 ALA CB C 13 17.0247 0.2 . 1 . . . . . 28 A CB . 27953 1 97 . 1 . 1 30 30 ALA N N 15 122.77 0.2 . 1 . . . . . 28 A N . 27953 1 98 . 1 . 1 31 31 MET H H 1 7.15729 0.02 . 1 . . . . . 29 M H . 27953 1 99 . 1 . 1 31 31 MET CA C 13 57.7075 0.2 . 1 . . . . . 29 M CA . 27953 1 100 . 1 . 1 31 31 MET CB C 13 32.478 0.2 . 1 . . . . . 29 M CB . 27953 1 101 . 1 . 1 31 31 MET N N 15 113.556 0.2 . 1 . . . . . 29 M N . 27953 1 102 . 1 . 1 32 32 LYS H H 1 7.3222 0.02 . 1 . . . . . 30 K H . 27953 1 103 . 1 . 1 32 32 LYS CA C 13 58.4017 0.2 . 1 . . . . . 30 K CA . 27953 1 104 . 1 . 1 32 32 LYS CB C 13 33.3367 0.2 . 1 . . . . . 30 K CB . 27953 1 105 . 1 . 1 32 32 LYS N N 15 118.326 0.2 . 1 . . . . . 30 K N . 27953 1 106 . 1 . 1 33 33 TRP H H 1 8.12986 0.02 . 1 . . . . . 31 W H . 27953 1 107 . 1 . 1 33 33 TRP CA C 13 56.3192 0.2 . 1 . . . . . 31 W CA . 27953 1 108 . 1 . 1 33 33 TRP CB C 13 29.6941 0.2 . 1 . . . . . 31 W CB . 27953 1 109 . 1 . 1 33 33 TRP N N 15 116.325 0.2 . 1 . . . . . 31 W N . 27953 1 110 . 1 . 1 34 34 HIS H H 1 7.19824 0.02 . 1 . . . . . 32 H H . 27953 1 111 . 1 . 1 34 34 HIS CA C 13 56.9165 0.2 . 1 . . . . . 32 H CA . 27953 1 112 . 1 . 1 34 34 HIS CB C 13 31.0345 0.2 . 1 . . . . . 32 H CB . 27953 1 113 . 1 . 1 34 34 HIS N N 15 106.794 0.2 . 1 . . . . . 32 H N . 27953 1 114 . 1 . 1 35 35 PRO CA C 13 65.297 0.2 . 1 . . . . . 33 P CA . 27953 1 115 . 1 . 1 35 35 PRO CB C 13 31.9125 0.2 . 1 . . . . . 33 P CB . 27953 1 116 . 1 . 1 36 36 ASP H H 1 10.2227 0.02 . 1 . . . . . 34 D H . 27953 1 117 . 1 . 1 36 36 ASP CA C 13 56.2665 0.2 . 1 . . . . . 34 D CA . 27953 1 118 . 1 . 1 36 36 ASP CB C 13 39.9037 0.2 . 1 . . . . . 34 D CB . 27953 1 119 . 1 . 1 36 36 ASP N N 15 120.301 0.2 . 1 . . . . . 34 D N . 27953 1 120 . 1 . 1 37 37 LYS H H 1 8.1085 0.02 . 1 . . . . . 35 K H . 27953 1 121 . 1 . 1 37 37 LYS CA C 13 55.4905 0.2 . 1 . . . . . 35 K CA . 27953 1 122 . 1 . 1 37 37 LYS CB C 13 31.9345 0.2 . 1 . . . . . 35 K CB . 27953 1 123 . 1 . 1 37 37 LYS N N 15 117.048 0.2 . 1 . . . . . 35 K N . 27953 1 124 . 1 . 1 38 38 HIS H H 1 7.73775 0.02 . 1 . . . . . 36 H H . 27953 1 125 . 1 . 1 38 38 HIS CA C 13 55.7165 0.2 . 1 . . . . . 36 H CA . 27953 1 126 . 1 . 1 38 38 HIS CB C 13 31.413 0.2 . 1 . . . . . 36 H CB . 27953 1 127 . 1 . 1 38 38 HIS N N 15 120.149 0.2 . 1 . . . . . 36 H N . 27953 1 128 . 1 . 1 39 39 LEU H H 1 8.14671 0.02 . 1 . . . . . 37 L H . 27953 1 129 . 1 . 1 39 39 LEU CA C 13 56.0287 0.2 . 1 . . . . . 37 L CA . 27953 1 130 . 1 . 1 39 39 LEU CB C 13 42.6123 0.2 . 1 . . . . . 37 L CB . 27953 1 131 . 1 . 1 39 39 LEU N N 15 122.145 0.2 . 1 . . . . . 37 L N . 27953 1 132 . 1 . 1 40 40 ASN H H 1 7.43314 0.02 . 1 . . . . . 38 N H . 27953 1 133 . 1 . 1 40 40 ASN CA C 13 54.9793 0.2 . 1 . . . . . 38 N CA . 27953 1 134 . 1 . 1 40 40 ASN CB C 13 39.5493 0.2 . 1 . . . . . 38 N CB . 27953 1 135 . 1 . 1 40 40 ASN N N 15 124.473 0.2 . 1 . . . . . 38 N N . 27953 1 136 . 1 . 1 41 41 ASP H H 1 8.55786 0.02 . 1 . . . . . 39 D H . 27953 1 137 . 1 . 1 41 41 ASP CA C 13 57.1883 0.2 . 1 . . . . . 39 D CA . 27953 1 138 . 1 . 1 41 41 ASP CB C 13 40.947 0.2 . 1 . . . . . 39 D CB . 27953 1 139 . 1 . 1 41 41 ASP N N 15 122.287 0.2 . 1 . . . . . 39 D N . 27953 1 140 . 1 . 1 42 42 GLU H H 1 8.83383 0.02 . 1 . . . . . 40 E H . 27953 1 141 . 1 . 1 42 42 GLU CA C 13 59.3113 0.2 . 1 . . . . . 40 E CA . 27953 1 142 . 1 . 1 42 42 GLU CB C 13 29.1025 0.2 . 1 . . . . . 40 E CB . 27953 1 143 . 1 . 1 42 42 GLU N N 15 119.972 0.2 . 1 . . . . . 40 E N . 27953 1 144 . 1 . 1 43 43 ASP H H 1 8.18122 0.02 . 1 . . . . . 41 D H . 27953 1 145 . 1 . 1 43 43 ASP CA C 13 55.4683 0.2 . 1 . . . . . 41 D CA . 27953 1 146 . 1 . 1 43 43 ASP CB C 13 40.8337 0.2 . 1 . . . . . 41 D CB . 27953 1 147 . 1 . 1 43 43 ASP N N 15 120.063 0.2 . 1 . . . . . 41 D N . 27953 1 148 . 1 . 1 44 44 LYS H H 1 8.293 0.02 . 1 . . . . . 42 K H . 27953 1 149 . 1 . 1 44 44 LYS CA C 13 60.5647 0.2 . 1 . . . . . 42 K CA . 27953 1 150 . 1 . 1 44 44 LYS CB C 13 32.524 0.2 . 1 . . . . . 42 K CB . 27953 1 151 . 1 . 1 44 44 LYS N N 15 121.909 0.2 . 1 . . . . . 42 K N . 27953 1 152 . 1 . 1 45 45 VAL H H 1 7.92033 0.02 . 1 . . . . . 43 V H . 27953 1 153 . 1 . 1 45 45 VAL CA C 13 66.144 0.2 . 1 . . . . . 43 V CA . 27953 1 154 . 1 . 1 45 45 VAL CB C 13 31.7325 0.2 . 1 . . . . . 43 V CB . 27953 1 155 . 1 . 1 45 45 VAL N N 15 118.996 0.2 . 1 . . . . . 43 V N . 27953 1 156 . 1 . 1 46 46 GLU H H 1 7.59383 0.02 . 1 . . . . . 44 E H . 27953 1 157 . 1 . 1 46 46 GLU CA C 13 58.608 0.2 . 1 . . . . . 44 E CA . 27953 1 158 . 1 . 1 46 46 GLU CB C 13 29.361 0.2 . 1 . . . . . 44 E CB . 27953 1 159 . 1 . 1 46 46 GLU N N 15 120.678 0.2 . 1 . . . . . 44 E N . 27953 1 160 . 1 . 1 47 47 ALA H H 1 8.29043 0.02 . 1 . . . . . 45 A H . 27953 1 161 . 1 . 1 47 47 ALA CA C 13 55.4267 0.2 . 1 . . . . . 45 A CA . 27953 1 162 . 1 . 1 47 47 ALA CB C 13 17.5607 0.2 . 1 . . . . . 45 A CB . 27953 1 163 . 1 . 1 47 47 ALA N N 15 121.767 0.2 . 1 . . . . . 45 A N . 27953 1 164 . 1 . 1 48 48 GLU H H 1 8.48171 0.02 . 1 . . . . . 46 E H . 27953 1 165 . 1 . 1 48 48 GLU CA C 13 59.9493 0.2 . 1 . . . . . 46 E CA . 27953 1 166 . 1 . 1 48 48 GLU CB C 13 29.5127 0.2 . 1 . . . . . 46 E CB . 27953 1 167 . 1 . 1 48 48 GLU N N 15 117.73 0.2 . 1 . . . . . 46 E N . 27953 1 168 . 1 . 1 49 49 ARG H H 1 7.68957 0.02 . 1 . . . . . 47 R H . 27953 1 169 . 1 . 1 49 49 ARG CA C 13 59.2325 0.2 . 1 . . . . . 47 R CA . 27953 1 170 . 1 . 1 49 49 ARG CB C 13 30.266 0.2 . 1 . . . . . 47 R CB . 27953 1 171 . 1 . 1 49 49 ARG N N 15 119.398 0.2 . 1 . . . . . 47 R N . 27953 1 172 . 1 . 1 50 50 LYS H H 1 8.10583 0.02 . 1 . . . . . 48 K H . 27953 1 173 . 1 . 1 50 50 LYS CA C 13 59.3083 0.2 . 1 . . . . . 48 K CA . 27953 1 174 . 1 . 1 50 50 LYS CB C 13 31.777 0.2 . 1 . . . . . 48 K CB . 27953 1 175 . 1 . 1 50 50 LYS N N 15 119.931 0.2 . 1 . . . . . 48 K N . 27953 1 176 . 1 . 1 51 51 PHE H H 1 9.254 0.02 . 1 . . . . . 49 F H . 27953 1 177 . 1 . 1 51 51 PHE CA C 13 61.6183 0.2 . 1 . . . . . 49 F CA . 27953 1 178 . 1 . 1 51 51 PHE CB C 13 39.3677 0.2 . 1 . . . . . 49 F CB . 27953 1 179 . 1 . 1 51 51 PHE N N 15 119.971 0.2 . 1 . . . . . 49 F N . 27953 1 180 . 1 . 1 52 52 LYS H H 1 8.121 0.02 . 1 . . . . . 50 K H . 27953 1 181 . 1 . 1 52 52 LYS CA C 13 59.2705 0.2 . 1 . . . . . 50 K CA . 27953 1 182 . 1 . 1 52 52 LYS CB C 13 32.454 0.2 . 1 . . . . . 50 K CB . 27953 1 183 . 1 . 1 52 52 LYS N N 15 119.578 0.2 . 1 . . . . . 50 K N . 27953 1 184 . 1 . 1 53 53 LEU H H 1 7.46967 0.02 . 1 . . . . . 51 L H . 27953 1 185 . 1 . 1 53 53 LEU CA C 13 57.7297 0.2 . 1 . . . . . 51 L CA . 27953 1 186 . 1 . 1 53 53 LEU CB C 13 41.7733 0.2 . 1 . . . . . 51 L CB . 27953 1 187 . 1 . 1 53 53 LEU N N 15 121.035 0.2 . 1 . . . . . 51 L N . 27953 1 188 . 1 . 1 54 54 ILE H H 1 8.20471 0.02 . 1 . . . . . 52 I H . 27953 1 189 . 1 . 1 54 54 ILE CA C 13 65.3163 0.2 . 1 . . . . . 52 I CA . 27953 1 190 . 1 . 1 54 54 ILE CB C 13 37.9493 0.2 . 1 . . . . . 52 I CB . 27953 1 191 . 1 . 1 54 54 ILE N N 15 118.996 0.2 . 1 . . . . . 52 I N . 27953 1 192 . 1 . 1 55 55 GLY H H 1 7.8325 0.02 . 1 . . . . . 53 G H . 27953 1 193 . 1 . 1 55 55 GLY CA C 13 47.6907 0.2 . 1 . . . . . 53 G CA . 27953 1 194 . 1 . 1 55 55 GLY N N 15 106.784 0.2 . 1 . . . . . 53 G N . 27953 1 195 . 1 . 1 56 56 GLU H H 1 7.8758 0.02 . 1 . . . . . 54 E H . 27953 1 196 . 1 . 1 56 56 GLU CA C 13 59.124 0.2 . 1 . . . . . 54 E CA . 27953 1 197 . 1 . 1 56 56 GLU CB C 13 29.6207 0.2 . 1 . . . . . 54 E CB . 27953 1 198 . 1 . 1 56 56 GLU N N 15 124.037 0.2 . 1 . . . . . 54 E N . 27953 1 199 . 1 . 1 57 57 ALA H H 1 7.951 0.02 . 1 . . . . . 55 A H . 27953 1 200 . 1 . 1 57 57 ALA CA C 13 53.886 0.2 . 1 . . . . . 55 A CA . 27953 1 201 . 1 . 1 57 57 ALA CB C 13 18.819 0.2 . 1 . . . . . 55 A CB . 27953 1 202 . 1 . 1 57 57 ALA N N 15 119.735 0.2 . 1 . . . . . 55 A N . 27953 1 203 . 1 . 1 58 58 TYR H H 1 8.205 0.02 . 1 . . . . . 56 Y H . 27953 1 204 . 1 . 1 58 58 TYR CA C 13 61.222 0.2 . 1 . . . . . 56 Y CA . 27953 1 205 . 1 . 1 58 58 TYR CB C 13 39.448 0.2 . 1 . . . . . 56 Y CB . 27953 1 206 . 1 . 1 58 58 TYR N N 15 116.379 0.2 . 1 . . . . . 56 Y N . 27953 1 207 . 1 . 1 59 59 GLU H H 1 8.161 0.02 . 1 . . . . . 57 E H . 27953 1 208 . 1 . 1 59 59 GLU CA C 13 59.271 0.2 . 1 . . . . . 57 E CA . 27953 1 209 . 1 . 1 59 59 GLU CB C 13 28.9437 0.2 . 1 . . . . . 57 E CB . 27953 1 210 . 1 . 1 59 59 GLU N N 15 121.22 0.2 . 1 . . . . . 57 E N . 27953 1 211 . 1 . 1 60 60 VAL H H 1 6.70514 0.02 . 1 . . . . . 58 V H . 27953 1 212 . 1 . 1 60 60 VAL CA C 13 65.3723 0.2 . 1 . . . . . 58 V CA . 27953 1 213 . 1 . 1 60 60 VAL CB C 13 31.7653 0.2 . 1 . . . . . 58 V CB . 27953 1 214 . 1 . 1 60 60 VAL N N 15 115.449 0.2 . 1 . . . . . 58 V N . 27953 1 215 . 1 . 1 61 61 LEU H H 1 7.62986 0.02 . 1 . . . . . 59 L H . 27953 1 216 . 1 . 1 61 61 LEU CA C 13 56.6067 0.2 . 1 . . . . . 59 L CA . 27953 1 217 . 1 . 1 61 61 LEU CB C 13 41.6347 0.2 . 1 . . . . . 59 L CB . 27953 1 218 . 1 . 1 61 61 LEU N N 15 111.35 0.2 . 1 . . . . . 59 L N . 27953 1 219 . 1 . 1 62 62 SER H H 1 7.80014 0.02 . 1 . . . . . 60 S H . 27953 1 220 . 1 . 1 62 62 SER CA C 13 59.2857 0.2 . 1 . . . . . 60 S CA . 27953 1 221 . 1 . 1 62 62 SER CB C 13 63.4007 0.2 . 1 . . . . . 60 S CB . 27953 1 222 . 1 . 1 62 62 SER N N 15 108.529 0.2 . 1 . . . . . 60 S N . 27953 1 223 . 1 . 1 63 63 ASP H H 1 6.88371 0.02 . 1 . . . . . 61 D H . 27953 1 224 . 1 . 1 63 63 ASP CA C 13 52.28 0.2 . 1 . . . . . 61 D CA . 27953 1 225 . 1 . 1 63 63 ASP CB C 13 43.2363 0.2 . 1 . . . . . 61 D CB . 27953 1 226 . 1 . 1 63 63 ASP N N 15 124.219 0.2 . 1 . . . . . 61 D N . 27953 1 227 . 1 . 1 64 64 GLU H H 1 9.01243 0.02 . 1 . . . . . 62 E H . 27953 1 228 . 1 . 1 64 64 GLU CA C 13 60.6763 0.2 . 1 . . . . . 62 E CA . 27953 1 229 . 1 . 1 64 64 GLU CB C 13 29.7208 0.2 . 1 . . . . . 62 E CB . 27953 1 230 . 1 . 1 64 64 GLU N N 15 124.97 0.2 . 1 . . . . . 62 E N . 27953 1 231 . 1 . 1 65 65 GLU H H 1 8.07474 0.02 . 1 . . . . . 63 E H . 27953 1 232 . 1 . 1 65 65 GLU CA C 13 59.126 0.2 . 1 . . . . . 63 E CA . 27953 1 233 . 1 . 1 65 65 GLU CB C 13 28.5633 0.2 . 1 . . . . . 63 E CB . 27953 1 234 . 1 . 1 65 65 GLU N N 15 118.567 0.2 . 1 . . . . . 63 E N . 27953 1 235 . 1 . 1 66 66 LYS CA C 13 59.9943 0.2 . 1 . . . . . 64 K CA . 27953 1 236 . 1 . 1 66 66 LYS CB C 13 32.6595 0.2 . 1 . . . . . 64 K CB . 27953 1 237 . 1 . 1 67 67 ARG H H 1 9.35985 0.02 . 1 . . . . . 65 R H . 27953 1 238 . 1 . 1 67 67 ARG CA C 13 60.4537 0.2 . 1 . . . . . 65 R CA . 27953 1 239 . 1 . 1 67 67 ARG CB C 13 29.5123 0.2 . 1 . . . . . 65 R CB . 27953 1 240 . 1 . 1 67 67 ARG N N 15 123.004 0.2 . 1 . . . . . 65 R N . 27953 1 241 . 1 . 1 68 68 LYS H H 1 7.6875 0.02 . 1 . . . . . 66 K H . 27953 1 242 . 1 . 1 68 68 LYS CA C 13 59.3227 0.2 . 1 . . . . . 66 K CA . 27953 1 243 . 1 . 1 68 68 LYS CB C 13 31.908 0.2 . 1 . . . . . 66 K CB . 27953 1 244 . 1 . 1 68 68 LYS N N 15 118.204 0.2 . 1 . . . . . 66 K N . 27953 1 245 . 1 . 1 69 69 ASN H H 1 7.5405 0.02 . 1 . . . . . 67 N H . 27953 1 246 . 1 . 1 69 69 ASN CA C 13 55.7195 0.2 . 1 . . . . . 67 N CA . 27953 1 247 . 1 . 1 69 69 ASN CB C 13 38.7595 0.2 . 1 . . . . . 67 N CB . 27953 1 248 . 1 . 1 69 69 ASN N N 15 115.526 0.2 . 1 . . . . . 67 N N . 27953 1 249 . 1 . 1 70 70 TYR H H 1 8.339 0.02 . 1 . . . . . 68 Y H . 27953 1 250 . 1 . 1 70 70 TYR CA C 13 60.7953 0.2 . 1 . . . . . 68 Y CA . 27953 1 251 . 1 . 1 70 70 TYR CB C 13 38.7247 0.2 . 1 . . . . . 68 Y CB . 27953 1 252 . 1 . 1 70 70 TYR N N 15 122.76 0.2 . 1 . . . . . 68 Y N . 27953 1 253 . 1 . 1 71 71 ASP H H 1 8.51229 0.02 . 1 . . . . . 69 D H . 27953 1 254 . 1 . 1 71 71 ASP CA C 13 55.5011 0.2 . 1 . . . . . 69 D CA . 27953 1 255 . 1 . 1 71 71 ASP CB C 13 40.8993 0.2 . 1 . . . . . 69 D CB . 27953 1 256 . 1 . 1 71 71 ASP N N 15 118.218 0.2 . 1 . . . . . 69 D N . 27953 1 257 . 1 . 1 72 72 LEU H H 1 7.41621 0.02 . 1 . . . . . 70 L H . 27953 1 258 . 1 . 1 72 72 LEU CA C 13 57.68 0.2 . 1 . . . . . 70 L CA . 27953 1 259 . 1 . 1 72 72 LEU CB C 13 45.143 0.2 . 1 . . . . . 70 L CB . 27953 1 260 . 1 . 1 72 72 LEU N N 15 119.956 0.2 . 1 . . . . . 70 L N . 27953 1 261 . 1 . 1 73 73 PHE H H 1 7.8318 0.02 . 1 . . . . . 71 F H . 27953 1 262 . 1 . 1 73 73 PHE N N 15 119.907 0.2 . 1 . . . . . 71 F N . 27953 1 stop_ save_