################################### # 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 17042 _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 . _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' . . . 17042 1 2 '3D CBCA(CO)NH' . . . 17042 1 6 HNN . . . 17042 1 7 hncoCANH . . . 17042 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 4 4 GLU H H 1 8.391 0.020 . 1 . . . . 4 GLU H . 17042 1 2 . 1 1 4 4 GLU C C 13 176.193 0.3 . 1 . . . . 4 GLU C . 17042 1 3 . 1 1 4 4 GLU CA C 13 57.314 0.3 . 1 . . . . 4 GLU CA . 17042 1 4 . 1 1 4 4 GLU CB C 13 30.184 0.3 . 1 . . . . 4 GLU CB . 17042 1 5 . 1 1 4 4 GLU N N 15 120.200 0.3 . 1 . . . . 4 GLU N . 17042 1 6 . 1 1 5 5 PHE H H 1 7.913 0.020 . 1 . . . . 5 PHE H . 17042 1 7 . 1 1 5 5 PHE C C 13 176.053 0.3 . 1 . . . . 5 PHE C . 17042 1 8 . 1 1 5 5 PHE CA C 13 57.736 0.3 . 1 . . . . 5 PHE CA . 17042 1 9 . 1 1 5 5 PHE CB C 13 40.026 0.3 . 1 . . . . 5 PHE CB . 17042 1 10 . 1 1 5 5 PHE N N 15 119.849 0.3 . 1 . . . . 5 PHE N . 17042 1 11 . 1 1 6 6 ASP H H 1 8.182 0.020 . 1 . . . . 6 ASP H . 17042 1 12 . 1 1 6 6 ASP C C 13 176.240 0.3 . 1 . . . . 6 ASP C . 17042 1 13 . 1 1 6 6 ASP CA C 13 54.555 0.3 . 1 . . . . 6 ASP CA . 17042 1 14 . 1 1 6 6 ASP CB C 13 41.477 0.3 . 1 . . . . 6 ASP CB . 17042 1 15 . 1 1 6 6 ASP N N 15 121.847 0.3 . 1 . . . . 6 ASP N . 17042 1 16 . 1 1 7 7 LEU H H 1 8.165 0.020 . 1 . . . . 7 LEU H . 17042 1 17 . 1 1 7 7 LEU C C 13 177.761 0.3 . 1 . . . . 7 LEU C . 17042 1 18 . 1 1 7 7 LEU CA C 13 55.918 0.3 . 1 . . . . 7 LEU CA . 17042 1 19 . 1 1 7 7 LEU CB C 13 42.252 0.3 . 1 . . . . 7 LEU CB . 17042 1 20 . 1 1 7 7 LEU N N 15 123.240 0.3 . 1 . . . . 7 LEU N . 17042 1 21 . 1 1 8 8 SER H H 1 8.228 0.020 . 1 . . . . 8 SER H . 17042 1 22 . 1 1 8 8 SER C C 13 174.186 0.3 . 1 . . . . 8 SER C . 17042 1 23 . 1 1 8 8 SER CA C 13 59.489 0.3 . 1 . . . . 8 SER CA . 17042 1 24 . 1 1 8 8 SER CB C 13 63.871 0.3 . 1 . . . . 8 SER CB . 17042 1 25 . 1 1 8 8 SER N N 15 115.428 0.3 . 1 . . . . 8 SER N . 17042 1 26 . 1 1 9 9 HIS H H 1 7.972 0.020 . 1 . . . . 9 HIS H . 17042 1 27 . 1 1 9 9 HIS C C 13 174.613 0.3 . 1 . . . . 9 HIS C . 17042 1 28 . 1 1 9 9 HIS CA C 13 56.506 0.3 . 1 . . . . 9 HIS CA . 17042 1 29 . 1 1 9 9 HIS CB C 13 30.811 0.3 . 1 . . . . 9 HIS CB . 17042 1 30 . 1 1 9 9 HIS N N 15 120.746 0.3 . 1 . . . . 9 HIS N . 17042 1 31 . 1 1 10 10 GLN H H 1 8.037 0.020 . 1 . . . . 10 GLN H . 17042 1 32 . 1 1 10 10 GLN CA C 13 53.788 0.3 . 1 . . . . 10 GLN CA . 17042 1 33 . 1 1 10 10 GLN CB C 13 29.125 0.3 . 1 . . . . 10 GLN CB . 17042 1 34 . 1 1 10 10 GLN N N 15 122.512 0.3 . 1 . . . . 10 GLN N . 17042 1 35 . 1 1 13 13 ALA H H 1 8.279 0.020 . 1 . . . . 13 ALA H . 17042 1 36 . 1 1 13 13 ALA C C 13 177.653 0.3 . 1 . . . . 13 ALA C . 17042 1 37 . 1 1 13 13 ALA CA C 13 52.805 0.3 . 1 . . . . 13 ALA CA . 17042 1 38 . 1 1 13 13 ALA CB C 13 19.587 0.3 . 1 . . . . 13 ALA CB . 17042 1 39 . 1 1 13 13 ALA N N 15 126.118 0.3 . 1 . . . . 13 ALA N . 17042 1 40 . 1 1 14 14 SER H H 1 8.162 0.020 . 1 . . . . 14 SER H . 17042 1 41 . 1 1 14 14 SER C C 13 176.933 0.3 . 1 . . . . 14 SER C . 17042 1 42 . 1 1 14 14 SER CA C 13 58.671 0.3 . 1 . . . . 14 SER CA . 17042 1 43 . 1 1 14 14 SER CB C 13 63.827 0.3 . 1 . . . . 14 SER CB . 17042 1 44 . 1 1 14 14 SER N N 15 114.882 0.3 . 1 . . . . 14 SER N . 17042 1 45 . 1 1 15 15 LYS H H 1 8.343 0.020 . 1 . . . . 15 LYS H . 17042 1 46 . 1 1 15 15 LYS C C 13 175.466 0.3 . 1 . . . . 15 LYS C . 17042 1 47 . 1 1 15 15 LYS CA C 13 56.484 0.3 . 1 . . . . 15 LYS CA . 17042 1 48 . 1 1 15 15 LYS CB C 13 32.219 0.3 . 1 . . . . 15 LYS CB . 17042 1 49 . 1 1 15 15 LYS N N 15 122.534 0.3 . 1 . . . . 15 LYS N . 17042 1 50 . 1 1 16 16 ASP H H 1 8.201 0.020 . 1 . . . . 16 ASP H . 17042 1 51 . 1 1 16 16 ASP C C 13 176.213 0.3 . 1 . . . . 16 ASP C . 17042 1 52 . 1 1 16 16 ASP CA C 13 54.817 0.3 . 1 . . . . 16 ASP CA . 17042 1 53 . 1 1 16 16 ASP CB C 13 41.295 0.3 . 1 . . . . 16 ASP CB . 17042 1 54 . 1 1 16 16 ASP N N 15 120.881 0.3 . 1 . . . . 16 ASP N . 17042 1 55 . 1 1 17 17 GLN H H 1 8.291 0.020 . 1 . . . . 17 GLN H . 17042 1 56 . 1 1 17 17 GLN C C 13 176.080 0.3 . 1 . . . . 17 GLN C . 17042 1 57 . 1 1 17 17 GLN CA C 13 56.642 0.3 . 1 . . . . 17 GLN CA . 17042 1 58 . 1 1 17 17 GLN CB C 13 29.595 0.3 . 1 . . . . 17 GLN CB . 17042 1 59 . 1 1 17 17 GLN N N 15 121.452 0.3 . 1 . . . . 17 GLN N . 17042 1 60 . 1 1 18 18 SER H H 1 8.317 0.020 . 1 . . . . 18 SER H . 17042 1 61 . 1 1 18 18 SER C C 13 174.373 0.3 . 1 . . . . 18 SER C . 17042 1 62 . 1 1 18 18 SER CA C 13 59.496 0.3 . 1 . . . . 18 SER CA . 17042 1 63 . 1 1 18 18 SER CB C 13 64.249 0.3 . 1 . . . . 18 SER CB . 17042 1 64 . 1 1 18 18 SER N N 15 116.789 0.3 . 1 . . . . 18 SER N . 17042 1 65 . 1 1 19 19 LEU H H 1 8.006 0.020 . 1 . . . . 19 LEU H . 17042 1 66 . 1 1 19 19 LEU C C 13 176.880 0.3 . 1 . . . . 19 LEU C . 17042 1 67 . 1 1 19 19 LEU CA C 13 55.244 0.3 . 1 . . . . 19 LEU CA . 17042 1 68 . 1 1 19 19 LEU CB C 13 42.566 0.3 . 1 . . . . 19 LEU CB . 17042 1 69 . 1 1 19 19 LEU N N 15 123.387 0.3 . 1 . . . . 19 LEU N . 17042 1 70 . 1 1 20 20 ALA H H 1 8.059 0.020 . 1 . . . . 20 ALA H . 17042 1 71 . 1 1 20 20 ALA C C 13 177.627 0.3 . 1 . . . . 20 ALA C . 17042 1 72 . 1 1 20 20 ALA CA C 13 52.883 0.3 . 1 . . . . 20 ALA CA . 17042 1 73 . 1 1 20 20 ALA CB C 13 19.365 0.3 . 1 . . . . 20 ALA CB . 17042 1 74 . 1 1 20 20 ALA N N 15 124.809 0.3 . 1 . . . . 20 ALA N . 17042 1 75 . 1 1 21 21 VAL H H 1 7.906 0.020 . 1 . . . . 21 VAL H . 17042 1 76 . 1 1 21 21 VAL C C 13 175.760 0.3 . 1 . . . . 21 VAL C . 17042 1 77 . 1 1 21 21 VAL CA C 13 62.475 0.3 . 1 . . . . 21 VAL CA . 17042 1 78 . 1 1 21 21 VAL CB C 13 33.145 0.3 . 1 . . . . 21 VAL CB . 17042 1 79 . 1 1 21 21 VAL N N 15 118.493 0.3 . 1 . . . . 21 VAL N . 17042 1 80 . 1 1 22 22 ASP H H 1 8.231 0.020 . 1 . . . . 22 ASP H . 17042 1 81 . 1 1 22 22 ASP C C 13 176.000 0.3 . 1 . . . . 22 ASP C . 17042 1 82 . 1 1 22 22 ASP CA C 13 54.867 0.3 . 1 . . . . 22 ASP CA . 17042 1 83 . 1 1 22 22 ASP CB C 13 41.499 0.3 . 1 . . . . 22 ASP CB . 17042 1 84 . 1 1 22 22 ASP N N 15 123.162 0.3 . 1 . . . . 22 ASP N . 17042 1 85 . 1 1 23 23 ARG H H 1 8.121 0.020 . 1 . . . . 23 ARG H . 17042 1 86 . 1 1 23 23 ARG C C 13 176.133 0.3 . 1 . . . . 23 ARG C . 17042 1 87 . 1 1 23 23 ARG CA C 13 56.896 0.3 . 1 . . . . 23 ARG CA . 17042 1 88 . 1 1 23 23 ARG CB C 13 30.990 0.3 . 1 . . . . 23 ARG CB . 17042 1 89 . 1 1 23 23 ARG N N 15 121.377 0.3 . 1 . . . . 23 ARG N . 17042 1 90 . 1 1 24 24 VAL H H 1 8.159 0.020 . 1 . . . . 24 VAL H . 17042 1 91 . 1 1 24 24 VAL C C 13 176.507 0.3 . 1 . . . . 24 VAL C . 17042 1 92 . 1 1 24 24 VAL CA C 13 63.235 0.3 . 1 . . . . 24 VAL CA . 17042 1 93 . 1 1 24 24 VAL CB C 13 32.875 0.3 . 1 . . . . 24 VAL CB . 17042 1 94 . 1 1 24 24 VAL N N 15 120.997 0.3 . 1 . . . . 24 VAL N . 17042 1 95 . 1 1 25 25 THR H H 1 8.177 0.020 . 1 . . . . 25 THR H . 17042 1 96 . 1 1 25 25 THR C C 13 174.880 0.3 . 1 . . . . 25 THR C . 17042 1 97 . 1 1 25 25 THR CA C 13 62.403 0.3 . 1 . . . . 25 THR CA . 17042 1 98 . 1 1 25 25 THR CB C 13 70.066 0.3 . 1 . . . . 25 THR CB . 17042 1 99 . 1 1 25 25 THR N N 15 116.928 0.3 . 1 . . . . 25 THR N . 17042 1 100 . 1 1 26 26 GLY H H 1 8.280 0.020 . 1 . . . . 26 GLY H . 17042 1 101 . 1 1 26 26 GLY C C 13 173.999 0.3 . 1 . . . . 26 GLY C . 17042 1 102 . 1 1 26 26 GLY CA C 13 45.824 0.3 . 1 . . . . 26 GLY CA . 17042 1 103 . 1 1 26 26 GLY N N 15 110.755 0.3 . 1 . . . . 26 GLY N . 17042 1 104 . 1 1 27 27 LEU H H 1 8.066 0.020 . 1 . . . . 27 LEU H . 17042 1 105 . 1 1 27 27 LEU C C 13 177.920 0.3 . 1 . . . . 27 LEU C . 17042 1 106 . 1 1 27 27 LEU CA C 13 55.492 0.3 . 1 . . . . 27 LEU CA . 17042 1 107 . 1 1 27 27 LEU CB C 13 42.645 0.3 . 1 . . . . 27 LEU CB . 17042 1 108 . 1 1 27 27 LEU N N 15 121.363 0.3 . 1 . . . . 27 LEU N . 17042 1 109 . 1 1 28 28 GLY H H 1 8.345 0.020 . 1 . . . . 28 GLY H . 17042 1 110 . 1 1 28 28 GLY C C 13 175.653 0.3 . 1 . . . . 28 GLY C . 17042 1 111 . 1 1 28 28 GLY CA C 13 45.590 0.3 . 1 . . . . 28 GLY CA . 17042 1 112 . 1 1 28 28 GLY N N 15 109.160 0.3 . 1 . . . . 28 GLY N . 17042 1 113 . 1 1 29 29 ASN H H 1 8.227 0.020 . 1 . . . . 29 ASN H . 17042 1 114 . 1 1 29 29 ASN C C 13 175.200 0.3 . 1 . . . . 29 ASN C . 17042 1 115 . 1 1 29 29 ASN CA C 13 53.258 0.3 . 1 . . . . 29 ASN CA . 17042 1 116 . 1 1 29 29 ASN CB C 13 39.516 0.3 . 1 . . . . 29 ASN CB . 17042 1 117 . 1 1 29 29 ASN N N 15 118.452 0.3 . 1 . . . . 29 ASN N . 17042 1 118 . 1 1 30 30 GLY H H 1 8.259 0.020 . 1 . . . . 30 GLY H . 17042 1 119 . 1 1 30 30 GLY CA C 13 45.518 0.3 . 1 . . . . 30 GLY CA . 17042 1 120 . 1 1 30 30 GLY N N 15 109.293 0.3 . 1 . . . . 30 GLY N . 17042 1 121 . 1 1 32 32 GLN H H 1 8.496 0.020 . 1 . . . . 32 GLN H . 17042 1 122 . 1 1 32 32 GLN CA C 13 55.966 0.3 . 1 . . . . 32 GLN CA . 17042 1 123 . 1 1 32 32 GLN CB C 13 29.172 0.3 . 1 . . . . 32 GLN CB . 17042 1 124 . 1 1 32 32 GLN N N 15 120.186 0.3 . 1 . . . . 32 GLN N . 17042 1 125 . 1 1 34 34 ALA H H 1 8.151 0.020 . 1 . . . . 34 ALA H . 17042 1 126 . 1 1 34 34 ALA C C 13 177.413 0.3 . 1 . . . . 34 ALA C . 17042 1 127 . 1 1 34 34 ALA CA C 13 52.782 0.3 . 1 . . . . 34 ALA CA . 17042 1 128 . 1 1 34 34 ALA CB C 13 19.496 0.3 . 1 . . . . 34 ALA CB . 17042 1 129 . 1 1 34 34 ALA N N 15 124.962 0.3 . 1 . . . . 34 ALA N . 17042 1 130 . 1 1 35 35 GLN H H 1 8.322 0.020 . 1 . . . . 35 GLN H . 17042 1 131 . 1 1 35 35 GLN C C 13 176.480 0.3 . 1 . . . . 35 GLN C . 17042 1 132 . 1 1 35 35 GLN CA C 13 56.337 0.3 . 1 . . . . 35 GLN CA . 17042 1 133 . 1 1 35 35 GLN CB C 13 29.543 0.3 . 1 . . . . 35 GLN CB . 17042 1 134 . 1 1 35 35 GLN N N 15 119.302 0.3 . 1 . . . . 35 GLN N . 17042 1 135 . 1 1 36 36 GLY H H 1 8.312 0.020 . 1 . . . . 36 GLY H . 17042 1 136 . 1 1 36 36 GLY CA C 13 45.518 0.3 . 1 . . . . 36 GLY CA . 17042 1 137 . 1 1 36 36 GLY N N 15 109.706 0.3 . 1 . . . . 36 GLY N . 17042 1 138 . 1 1 38 38 GLY H H 1 8.358 0.020 . 1 . . . . 38 GLY H . 17042 1 139 . 1 1 38 38 GLY C C 13 172.093 0.3 . 1 . . . . 38 GLY C . 17042 1 140 . 1 1 38 38 GLY CA C 13 45.434 0.3 . 1 . . . . 38 GLY CA . 17042 1 141 . 1 1 38 38 GLY N N 15 109.649 0.3 . 1 . . . . 38 GLY N . 17042 1 142 . 1 1 39 39 GLN H H 1 8.055 0.020 . 1 . . . . 39 GLN H . 17042 1 143 . 1 1 39 39 GLN C C 13 176.427 0.3 . 1 . . . . 39 GLN C . 17042 1 144 . 1 1 39 39 GLN CA C 13 56.337 0.3 . 1 . . . . 39 GLN CA . 17042 1 145 . 1 1 39 39 GLN CB C 13 29.543 0.3 . 1 . . . . 39 GLN CB . 17042 1 146 . 1 1 39 39 GLN N N 15 121.664 0.3 . 1 . . . . 39 GLN N . 17042 1 147 . 1 1 40 40 GLY H H 1 8.418 0.020 . 1 . . . . 40 GLY H . 17042 1 148 . 1 1 40 40 GLY C C 13 173.813 0.3 . 1 . . . . 40 GLY C . 17042 1 149 . 1 1 40 40 GLY CA C 13 45.603 0.3 . 1 . . . . 40 GLY CA . 17042 1 150 . 1 1 40 40 GLY N N 15 109.982 0.3 . 1 . . . . 40 GLY N . 17042 1 151 . 1 1 41 41 ALA H H 1 8.201 0.020 . 1 . . . . 41 ALA H . 17042 1 152 . 1 1 41 41 ALA C C 13 178.240 0.3 . 1 . . . . 41 ALA C . 17042 1 153 . 1 1 41 41 ALA CA C 13 53.048 0.3 . 1 . . . . 41 ALA CA . 17042 1 154 . 1 1 41 41 ALA CB C 13 19.790 0.3 . 1 . . . . 41 ALA CB . 17042 1 155 . 1 1 41 41 ALA N N 15 123.923 0.3 . 1 . . . . 41 ALA N . 17042 1 156 . 1 1 42 42 GLY H H 1 8.362 0.020 . 1 . . . . 42 GLY H . 17042 1 157 . 1 1 42 42 GLY C C 13 174.053 0.3 . 1 . . . . 42 GLY C . 17042 1 158 . 1 1 42 42 GLY CA C 13 45.444 0.3 . 1 . . . . 42 GLY CA . 17042 1 159 . 1 1 42 42 GLY N N 15 108.121 0.3 . 1 . . . . 42 GLY N . 17042 1 160 . 1 1 43 43 SER H H 1 8.071 0.020 . 1 . . . . 43 SER H . 17042 1 161 . 1 1 43 43 SER C C 13 174.506 0.3 . 1 . . . . 43 SER C . 17042 1 162 . 1 1 43 43 SER CA C 13 58.619 0.3 . 1 . . . . 43 SER CA . 17042 1 163 . 1 1 43 43 SER CB C 13 64.127 0.3 . 1 . . . . 43 SER CB . 17042 1 164 . 1 1 43 43 SER N N 15 115.482 0.3 . 1 . . . . 43 SER N . 17042 1 165 . 1 1 44 44 VAL H H 1 8.109 0.020 . 1 . . . . 44 VAL H . 17042 1 166 . 1 1 44 44 VAL CA C 13 62.570 0.3 . 1 . . . . 44 VAL CA . 17042 1 167 . 1 1 44 44 VAL CB C 13 32.971 0.3 . 1 . . . . 44 VAL CB . 17042 1 168 . 1 1 44 44 VAL N N 15 121.510 0.3 . 1 . . . . 44 VAL N . 17042 1 169 . 1 1 48 48 ASN H H 1 7.919 0.020 . 1 . . . . 48 ASN H . 17042 1 170 . 1 1 48 48 ASN C C 13 175.466 0.3 . 1 . . . . 48 ASN C . 17042 1 171 . 1 1 48 48 ASN CA C 13 55.043 0.3 . 1 . . . . 48 ASN CA . 17042 1 172 . 1 1 48 48 ASN CB C 13 41.208 0.3 . 1 . . . . 48 ASN CB . 17042 1 173 . 1 1 48 48 ASN N N 15 123.489 0.3 . 1 . . . . 48 ASN N . 17042 1 174 . 1 1 49 49 GLY H H 1 8.216 0.020 . 1 . . . . 49 GLY H . 17042 1 175 . 1 1 49 49 GLY C C 13 173.733 0.3 . 1 . . . . 49 GLY C . 17042 1 176 . 1 1 49 49 GLY CA C 13 45.654 0.3 . 1 . . . . 49 GLY CA . 17042 1 177 . 1 1 49 49 GLY N N 15 108.926 0.3 . 1 . . . . 49 GLY N . 17042 1 178 . 1 1 50 50 VAL H H 1 7.791 0.020 . 1 . . . . 50 VAL H . 17042 1 179 . 1 1 50 50 VAL C C 13 175.520 0.3 . 1 . . . . 50 VAL C . 17042 1 180 . 1 1 50 50 VAL CA C 13 62.052 0.3 . 1 . . . . 50 VAL CA . 17042 1 181 . 1 1 50 50 VAL CB C 13 32.722 0.3 . 1 . . . . 50 VAL CB . 17042 1 182 . 1 1 50 50 VAL N N 15 119.307 0.3 . 1 . . . . 50 VAL N . 17042 1 183 . 1 1 51 51 ALA H H 1 8.285 0.020 . 1 . . . . 51 ALA H . 17042 1 184 . 1 1 51 51 ALA C C 13 177.173 0.3 . 1 . . . . 51 ALA C . 17042 1 185 . 1 1 51 51 ALA CA C 13 52.525 0.3 . 1 . . . . 51 ALA CA . 17042 1 186 . 1 1 51 51 ALA CB C 13 19.706 0.3 . 1 . . . . 51 ALA CB . 17042 1 187 . 1 1 51 51 ALA N N 15 128.046 0.3 . 1 . . . . 51 ALA N . 17042 1 188 . 1 1 52 52 ILE H H 1 8.019 0.020 . 1 . . . . 52 ILE H . 17042 1 189 . 1 1 52 52 ILE C C 13 175.466 0.3 . 1 . . . . 52 ILE C . 17042 1 190 . 1 1 52 52 ILE CA C 13 60.895 0.3 . 1 . . . . 52 ILE CA . 17042 1 191 . 1 1 52 52 ILE CB C 13 39.252 0.3 . 1 . . . . 52 ILE CB . 17042 1 192 . 1 1 52 52 ILE N N 15 120.604 0.3 . 1 . . . . 52 ILE N . 17042 1 193 . 1 1 53 53 ASP H H 1 8.308 0.020 . 1 . . . . 53 ASP H . 17042 1 194 . 1 1 53 53 ASP CA C 13 51.942 0.3 . 1 . . . . 53 ASP CA . 17042 1 195 . 1 1 53 53 ASP CB C 13 41.630 0.3 . 1 . . . . 53 ASP CB . 17042 1 196 . 1 1 53 53 ASP N N 15 126.026 0.3 . 1 . . . . 53 ASP N . 17042 1 197 . 1 1 55 55 THR H H 1 8.286 0.020 . 1 . . . . 55 THR H . 17042 1 198 . 1 1 55 55 THR C C 13 174.986 0.3 . 1 . . . . 55 THR C . 17042 1 199 . 1 1 55 55 THR CA C 13 63.188 0.3 . 1 . . . . 55 THR CA . 17042 1 200 . 1 1 55 55 THR CB C 13 69.702 0.3 . 1 . . . . 55 THR CB . 17042 1 201 . 1 1 55 55 THR N N 15 112.177 0.3 . 1 . . . . 55 THR N . 17042 1 202 . 1 1 56 56 MET H H 1 7.846 0.020 . 1 . . . . 56 MET H . 17042 1 203 . 1 1 56 56 MET C C 13 176.507 0.3 . 1 . . . . 56 MET C . 17042 1 204 . 1 1 56 56 MET CA C 13 55.838 0.3 . 1 . . . . 56 MET CA . 17042 1 205 . 1 1 56 56 MET CB C 13 33.077 0.3 . 1 . . . . 56 MET CB . 17042 1 206 . 1 1 56 56 MET N N 15 121.795 0.3 . 1 . . . . 56 MET N . 17042 1 207 . 1 1 57 57 LYS H H 1 8.126 0.020 . 1 . . . . 57 LYS H . 17042 1 208 . 1 1 57 57 LYS CA C 13 57.344 0.3 . 1 . . . . 57 LYS CA . 17042 1 209 . 1 1 57 57 LYS CB C 13 30.541 0.3 . 1 . . . . 57 LYS CB . 17042 1 210 . 1 1 57 57 LYS N N 15 122.041 0.3 . 1 . . . . 57 LYS N . 17042 1 211 . 1 1 61 61 ALA H H 1 8.185 0.020 . 1 . . . . 61 ALA H . 17042 1 212 . 1 1 61 61 ALA C C 13 177.280 0.3 . 1 . . . . 61 ALA C . 17042 1 213 . 1 1 61 61 ALA CA C 13 53.008 0.3 . 1 . . . . 61 ALA CA . 17042 1 214 . 1 1 61 61 ALA CB C 13 19.706 0.3 . 1 . . . . 61 ALA CB . 17042 1 215 . 1 1 61 61 ALA N N 15 124.848 0.3 . 1 . . . . 61 ALA N . 17042 1 216 . 1 1 62 62 ASN H H 1 8.298 0.020 . 1 . . . . 62 ASN H . 17042 1 217 . 1 1 62 62 ASN C C 13 175.173 0.3 . 1 . . . . 62 ASN C . 17042 1 218 . 1 1 62 62 ASN CA C 13 53.407 0.3 . 1 . . . . 62 ASN CA . 17042 1 219 . 1 1 62 62 ASN CB C 13 38.832 0.3 . 1 . . . . 62 ASN CB . 17042 1 220 . 1 1 62 62 ASN N N 15 117.664 0.3 . 1 . . . . 62 ASN N . 17042 1 221 . 1 1 63 63 LEU H H 1 8.121 0.020 . 1 . . . . 63 LEU H . 17042 1 222 . 1 1 63 63 LEU C C 13 177.333 0.3 . 1 . . . . 63 LEU C . 17042 1 223 . 1 1 63 63 LEU CA C 13 56.008 0.3 . 1 . . . . 63 LEU CA . 17042 1 224 . 1 1 63 63 LEU CB C 13 42.316 0.3 . 1 . . . . 63 LEU CB . 17042 1 225 . 1 1 63 63 LEU N N 15 122.394 0.3 . 1 . . . . 63 LEU N . 17042 1 226 . 1 1 64 64 GLN H H 1 8.195 0.020 . 1 . . . . 64 GLN H . 17042 1 227 . 1 1 64 64 GLN C C 13 176.053 0.3 . 1 . . . . 64 GLN C . 17042 1 228 . 1 1 64 64 GLN CA C 13 56.558 0.3 . 1 . . . . 64 GLN CA . 17042 1 229 . 1 1 64 64 GLN CB C 13 29.848 0.3 . 1 . . . . 64 GLN CB . 17042 1 230 . 1 1 64 64 GLN N N 15 119.727 0.3 . 1 . . . . 64 GLN N . 17042 1 231 . 1 1 65 65 ASP H H 1 8.194 0.020 . 1 . . . . 65 ASP H . 17042 1 232 . 1 1 65 65 ASP C C 13 176.053 0.3 . 1 . . . . 65 ASP C . 17042 1 233 . 1 1 65 65 ASP CA C 13 54.771 0.3 . 1 . . . . 65 ASP CA . 17042 1 234 . 1 1 65 65 ASP CB C 13 41.404 0.3 . 1 . . . . 65 ASP CB . 17042 1 235 . 1 1 65 65 ASP N N 15 121.391 0.3 . 1 . . . . 65 ASP N . 17042 1 236 . 1 1 66 66 ILE H H 1 7.954 0.020 . 1 . . . . 66 ILE H . 17042 1 237 . 1 1 66 66 ILE C C 13 176.533 0.3 . 1 . . . . 66 ILE C . 17042 1 238 . 1 1 66 66 ILE CA C 13 61.639 0.3 . 1 . . . . 66 ILE CA . 17042 1 239 . 1 1 66 66 ILE CB C 13 38.925 0.3 . 1 . . . . 66 ILE CB . 17042 1 240 . 1 1 66 66 ILE N N 15 120.249 0.3 . 1 . . . . 66 ILE N . 17042 1 241 . 1 1 67 67 GLY H H 1 8.372 0.020 . 1 . . . . 67 GLY H . 17042 1 242 . 1 1 67 67 GLY C C 13 173.893 0.3 . 1 . . . . 67 GLY C . 17042 1 243 . 1 1 67 67 GLY CA C 13 45.440 0.3 . 1 . . . . 67 GLY CA . 17042 1 244 . 1 1 67 67 GLY N N 15 112.167 0.3 . 1 . . . . 67 GLY N . 17042 1 245 . 1 1 68 68 GLU H H 1 8.163 0.020 . 1 . . . . 68 GLU H . 17042 1 246 . 1 1 68 68 GLU CA C 13 56.844 0.3 . 1 . . . . 68 GLU CA . 17042 1 247 . 1 1 68 68 GLU CB C 13 30.473 0.3 . 1 . . . . 68 GLU CB . 17042 1 248 . 1 1 68 68 GLU N N 15 120.401 0.3 . 1 . . . . 68 GLU N . 17042 1 249 . 1 1 69 69 HIS H H 1 8.362 0.020 . 1 . . . . 69 HIS H . 17042 1 250 . 1 1 69 69 HIS CA C 13 56.665 0.3 . 1 . . . . 69 HIS CA . 17042 1 251 . 1 1 69 69 HIS CB C 13 33.262 0.3 . 1 . . . . 69 HIS CB . 17042 1 252 . 1 1 69 69 HIS N N 15 118.582 0.3 . 1 . . . . 69 HIS N . 17042 1 253 . 1 1 70 70 ASP H H 1 8.354 0.020 . 1 . . . . 70 ASP H . 17042 1 254 . 1 1 70 70 ASP C C 13 176.347 0.3 . 1 . . . . 70 ASP C . 17042 1 255 . 1 1 70 70 ASP CA C 13 54.553 0.3 . 1 . . . . 70 ASP CA . 17042 1 256 . 1 1 70 70 ASP CB C 13 41.461 0.3 . 1 . . . . 70 ASP CB . 17042 1 257 . 1 1 70 70 ASP N N 15 121.475 0.3 . 1 . . . . 70 ASP N . 17042 1 258 . 1 1 71 71 GLU H H 1 8.439 0.020 . 1 . . . . 71 GLU H . 17042 1 259 . 1 1 71 71 GLU C C 13 175.626 0.3 . 1 . . . . 71 GLU C . 17042 1 260 . 1 1 71 71 GLU CA C 13 56.727 0.3 . 1 . . . . 71 GLU CA . 17042 1 261 . 1 1 71 71 GLU CB C 13 29.678 0.3 . 1 . . . . 71 GLU CB . 17042 1 262 . 1 1 71 71 GLU N N 15 121.587 0.3 . 1 . . . . 71 GLU N . 17042 1 263 . 1 1 72 72 LEU H H 1 8.248 0.020 . 1 . . . . 72 LEU H . 17042 1 264 . 1 1 72 72 LEU C C 13 177.360 0.3 . 1 . . . . 72 LEU C . 17042 1 265 . 1 1 72 72 LEU CA C 13 55.829 0.3 . 1 . . . . 72 LEU CA . 17042 1 266 . 1 1 72 72 LEU CB C 13 42.388 0.3 . 1 . . . . 72 LEU CB . 17042 1 267 . 1 1 72 72 LEU N N 15 124.973 0.3 . 1 . . . . 72 LEU N . 17042 1 268 . 1 1 73 73 LEU H H 1 7.946 0.020 . 1 . . . . 73 LEU H . 17042 1 269 . 1 1 73 73 LEU C C 13 177.093 0.3 . 1 . . . . 73 LEU C . 17042 1 270 . 1 1 73 73 LEU CA C 13 55.459 0.3 . 1 . . . . 73 LEU CA . 17042 1 271 . 1 1 73 73 LEU CB C 13 42.077 0.3 . 1 . . . . 73 LEU CB . 17042 1 272 . 1 1 73 73 LEU N N 15 122.051 0.3 . 1 . . . . 73 LEU N . 17042 1 273 . 1 1 74 74 LYS H H 1 7.957 0.020 . 1 . . . . 74 LYS H . 17042 1 274 . 1 1 74 74 LYS C C 13 176.213 0.3 . 1 . . . . 74 LYS C . 17042 1 275 . 1 1 74 74 LYS CA C 13 56.675 0.3 . 1 . . . . 74 LYS CA . 17042 1 276 . 1 1 74 74 LYS CB C 13 33.044 0.3 . 1 . . . . 74 LYS CB . 17042 1 277 . 1 1 74 74 LYS N N 15 121.751 0.3 . 1 . . . . 74 LYS N . 17042 1 278 . 1 1 75 75 GLU H H 1 8.236 0.020 . 1 . . . . 75 GLU H . 17042 1 279 . 1 1 75 75 GLU C C 13 176.027 0.3 . 1 . . . . 75 GLU C . 17042 1 280 . 1 1 75 75 GLU CA C 13 56.422 0.3 . 1 . . . . 75 GLU CA . 17042 1 281 . 1 1 75 75 GLU CB C 13 30.472 0.3 . 1 . . . . 75 GLU CB . 17042 1 282 . 1 1 75 75 GLU N N 15 121.619 0.3 . 1 . . . . 75 GLU N . 17042 1 283 . 1 1 76 76 ILE H H 1 8.053 0.020 . 1 . . . . 76 ILE H . 17042 1 284 . 1 1 76 76 ILE C C 13 175.786 0.3 . 1 . . . . 76 ILE C . 17042 1 285 . 1 1 76 76 ILE CA C 13 61.148 0.3 . 1 . . . . 76 ILE CA . 17042 1 286 . 1 1 76 76 ILE CB C 13 38.941 0.3 . 1 . . . . 76 ILE CB . 17042 1 287 . 1 1 76 76 ILE N N 15 121.742 0.3 . 1 . . . . 76 ILE N . 17042 1 288 . 1 1 77 77 GLU H H 1 8.329 0.020 . 1 . . . . 77 GLU H . 17042 1 289 . 1 1 77 77 GLU CA C 13 54.731 0.3 . 1 . . . . 77 GLU CA . 17042 1 290 . 1 1 77 77 GLU CB C 13 30.051 0.3 . 1 . . . . 77 GLU CB . 17042 1 291 . 1 1 77 77 GLU N N 15 126.505 0.3 . 1 . . . . 77 GLU N . 17042 1 292 . 1 1 79 79 VAL H H 1 8.142 0.020 . 1 . . . . 79 VAL H . 17042 1 293 . 1 1 79 79 VAL C C 13 176.187 0.3 . 1 . . . . 79 VAL C . 17042 1 294 . 1 1 79 79 VAL CA C 13 62.841 0.3 . 1 . . . . 79 VAL CA . 17042 1 295 . 1 1 79 79 VAL CB C 13 32.639 0.3 . 1 . . . . 79 VAL CB . 17042 1 296 . 1 1 79 79 VAL N N 15 120.690 0.3 . 1 . . . . 79 VAL N . 17042 1 297 . 1 1 80 80 LEU H H 1 8.240 0.020 . 1 . . . . 80 LEU H . 17042 1 298 . 1 1 80 80 LEU C C 13 176.507 0.3 . 1 . . . . 80 LEU C . 17042 1 299 . 1 1 80 80 LEU CA C 13 55.356 0.3 . 1 . . . . 80 LEU CA . 17042 1 300 . 1 1 80 80 LEU CB C 13 42.764 0.3 . 1 . . . . 80 LEU CB . 17042 1 301 . 1 1 80 80 LEU N N 15 125.899 0.3 . 1 . . . . 80 LEU N . 17042 1 302 . 1 1 81 81 SER H H 1 8.191 0.020 . 1 . . . . 81 SER H . 17042 1 303 . 1 1 81 81 SER C C 13 175.813 0.3 . 1 . . . . 81 SER C . 17042 1 304 . 1 1 81 81 SER CA C 13 58.515 0.3 . 1 . . . . 81 SER CA . 17042 1 305 . 1 1 81 81 SER CB C 13 64.195 0.3 . 1 . . . . 81 SER CB . 17042 1 306 . 1 1 81 81 SER N N 15 116.791 0.3 . 1 . . . . 81 SER N . 17042 1 307 . 1 1 82 82 ILE H H 1 8.008 0.020 . 1 . . . . 82 ILE H . 17042 1 308 . 1 1 82 82 ILE C C 13 176.267 0.3 . 1 . . . . 82 ILE C . 17042 1 309 . 1 1 82 82 ILE CA C 13 61.828 0.3 . 1 . . . . 82 ILE CA . 17042 1 310 . 1 1 82 82 ILE CB C 13 38.713 0.3 . 1 . . . . 82 ILE CB . 17042 1 311 . 1 1 82 82 ILE N N 15 122.302 0.3 . 1 . . . . 82 ILE N . 17042 1 312 . 1 1 83 83 LEU H H 1 8.104 0.020 . 1 . . . . 83 LEU H . 17042 1 313 . 1 1 83 83 LEU CA C 13 55.577 0.3 . 1 . . . . 83 LEU CA . 17042 1 314 . 1 1 83 83 LEU CB C 13 42.443 0.3 . 1 . . . . 83 LEU CB . 17042 1 315 . 1 1 83 83 LEU N N 15 124.873 0.3 . 1 . . . . 83 LEU N . 17042 1 316 . 1 1 88 88 LYS H H 1 8.110 0.020 . 1 . . . . 88 LYS H . 17042 1 317 . 1 1 88 88 LYS C C 13 176.187 0.3 . 1 . . . . 88 LYS C . 17042 1 318 . 1 1 88 88 LYS CA C 13 56.506 0.3 . 1 . . . . 88 LYS CA . 17042 1 319 . 1 1 88 88 LYS CB C 13 30.947 0.3 . 1 . . . . 88 LYS CB . 17042 1 320 . 1 1 88 88 LYS N N 15 121.312 0.3 . 1 . . . . 88 LYS N . 17042 1 321 . 1 1 89 89 ALA H H 1 8.234 0.020 . 1 . . . . 89 ALA H . 17042 1 322 . 1 1 89 89 ALA C C 13 177.814 0.3 . 1 . . . . 89 ALA C . 17042 1 323 . 1 1 89 89 ALA CA C 13 52.904 0.3 . 1 . . . . 89 ALA CA . 17042 1 324 . 1 1 89 89 ALA CB C 13 19.570 0.3 . 1 . . . . 89 ALA CB . 17042 1 325 . 1 1 89 89 ALA N N 15 125.255 0.3 . 1 . . . . 89 ALA N . 17042 1 326 . 1 1 90 90 THR H H 1 8.029 0.020 . 1 . . . . 90 THR H . 17042 1 327 . 1 1 90 90 THR CA C 13 62.030 0.3 . 1 . . . . 90 THR CA . 17042 1 328 . 1 1 90 90 THR CB C 13 69.860 0.3 . 1 . . . . 90 THR CB . 17042 1 329 . 1 1 90 90 THR N N 15 112.896 0.3 . 1 . . . . 90 THR N . 17042 1 330 . 1 1 93 93 GLY H H 1 8.262 0.020 . 1 . . . . 93 GLY H . 17042 1 331 . 1 1 93 93 GLY C C 13 174.026 0.3 . 1 . . . . 93 GLY C . 17042 1 332 . 1 1 93 93 GLY CA C 13 45.011 0.3 . 1 . . . . 93 GLY CA . 17042 1 333 . 1 1 93 93 GLY N N 15 109.190 0.3 . 1 . . . . 93 GLY N . 17042 1 334 . 1 1 94 94 GLY H H 1 8.034 0.020 . 1 . . . . 94 GLY H . 17042 1 335 . 1 1 94 94 GLY CA C 13 44.758 0.3 . 1 . . . . 94 GLY CA . 17042 1 336 . 1 1 94 94 GLY N N 15 108.869 0.3 . 1 . . . . 94 GLY N . 17042 1 337 . 1 1 96 96 ALA H H 1 8.326 0.020 . 1 . . . . 96 ALA H . 17042 1 338 . 1 1 96 96 ALA CA C 13 52.348 0.3 . 1 . . . . 96 ALA CA . 17042 1 339 . 1 1 96 96 ALA CB C 13 19.345 0.3 . 1 . . . . 96 ALA CB . 17042 1 340 . 1 1 96 96 ALA N N 15 124.301 0.3 . 1 . . . . 96 ALA N . 17042 1 341 . 1 1 97 97 LYS H H 1 8.170 0.020 . 1 . . . . 97 LYS H . 17042 1 342 . 1 1 97 97 LYS N N 15 120.824 0.3 . 1 . . . . 97 LYS N . 17042 1 343 . 1 1 98 98 ALA H H 1 8.210 0.020 . 1 . . . . 98 ALA H . 17042 1 344 . 1 1 98 98 ALA C C 13 177.467 0.3 . 1 . . . . 98 ALA C . 17042 1 345 . 1 1 98 98 ALA CA C 13 50.641 0.3 . 1 . . . . 98 ALA CA . 17042 1 346 . 1 1 98 98 ALA CB C 13 18.555 0.3 . 1 . . . . 98 ALA CB . 17042 1 347 . 1 1 98 98 ALA N N 15 127.030 0.3 . 1 . . . . 98 ALA N . 17042 1 348 . 1 1 99 99 GLU H H 1 8.303 0.020 . 1 . . . . 99 GLU H . 17042 1 349 . 1 1 99 99 GLU C C 13 176.240 0.3 . 1 . . . . 99 GLU C . 17042 1 350 . 1 1 99 99 GLU CA C 13 56.727 0.3 . 1 . . . . 99 GLU CA . 17042 1 351 . 1 1 99 99 GLU CB C 13 30.521 0.3 . 1 . . . . 99 GLU CB . 17042 1 352 . 1 1 99 99 GLU N N 15 119.974 0.3 . 1 . . . . 99 GLU N . 17042 1 353 . 1 1 100 100 MET H H 1 8.282 0.020 . 1 . . . . 100 MET H . 17042 1 354 . 1 1 100 100 MET C C 13 176.240 0.3 . 1 . . . . 100 MET C . 17042 1 355 . 1 1 100 100 MET CA C 13 56.844 0.3 . 1 . . . . 100 MET CA . 17042 1 356 . 1 1 100 100 MET CB C 13 33.516 0.3 . 1 . . . . 100 MET CB . 17042 1 357 . 1 1 100 100 MET N N 15 121.877 0.3 . 1 . . . . 100 MET N . 17042 1 358 . 1 1 101 101 LYS H H 1 8.238 0.020 . 1 . . . . 101 LYS H . 17042 1 359 . 1 1 101 101 LYS C C 13 176.027 0.3 . 1 . . . . 101 LYS C . 17042 1 360 . 1 1 101 101 LYS CA C 13 56.422 0.3 . 1 . . . . 101 LYS CA . 17042 1 361 . 1 1 101 101 LYS CB C 13 30.477 0.3 . 1 . . . . 101 LYS CB . 17042 1 362 . 1 1 101 101 LYS N N 15 121.868 0.3 . 1 . . . . 101 LYS N . 17042 1 363 . 1 1 102 102 ASP H H 1 8.345 0.020 . 1 . . . . 102 ASP H . 17042 1 364 . 1 1 102 102 ASP C C 13 176.453 0.3 . 1 . . . . 102 ASP C . 17042 1 365 . 1 1 102 102 ASP CA C 13 54.577 0.3 . 1 . . . . 102 ASP CA . 17042 1 366 . 1 1 102 102 ASP CB C 13 41.495 0.3 . 1 . . . . 102 ASP CB . 17042 1 367 . 1 1 102 102 ASP N N 15 121.674 0.3 . 1 . . . . 102 ASP N . 17042 1 368 . 1 1 103 103 THR H H 1 8.074 0.020 . 1 . . . . 103 THR H . 17042 1 369 . 1 1 103 103 THR C C 13 175.226 0.3 . 1 . . . . 103 THR C . 17042 1 370 . 1 1 103 103 THR CA C 13 62.643 0.3 . 1 . . . . 103 THR CA . 17042 1 371 . 1 1 103 103 THR CB C 13 69.997 0.3 . 1 . . . . 103 THR CB . 17042 1 372 . 1 1 103 103 THR N N 15 113.890 0.3 . 1 . . . . 103 THR N . 17042 1 373 . 1 1 104 104 GLY H H 1 8.395 0.020 . 1 . . . . 104 GLY H . 17042 1 374 . 1 1 104 104 GLY C C 13 173.839 0.3 . 1 . . . . 104 GLY C . 17042 1 375 . 1 1 104 104 GLY CA C 13 45.401 0.3 . 1 . . . . 104 GLY CA . 17042 1 376 . 1 1 104 104 GLY N N 15 110.958 0.3 . 1 . . . . 104 GLY N . 17042 1 377 . 1 1 105 105 ILE H H 1 7.812 0.020 . 1 . . . . 105 ILE H . 17042 1 378 . 1 1 105 105 ILE C C 13 175.973 0.3 . 1 . . . . 105 ILE C . 17042 1 379 . 1 1 105 105 ILE CA C 13 61.324 0.3 . 1 . . . . 105 ILE CA . 17042 1 380 . 1 1 105 105 ILE CB C 13 38.950 0.3 . 1 . . . . 105 ILE CB . 17042 1 381 . 1 1 105 105 ILE N N 15 119.835 0.3 . 1 . . . . 105 ILE N . 17042 1 382 . 1 1 106 106 GLN H H 1 8.423 0.020 . 1 . . . . 106 GLN H . 17042 1 383 . 1 1 106 106 GLN C C 13 175.600 0.3 . 1 . . . . 106 GLN C . 17042 1 384 . 1 1 106 106 GLN CA C 13 55.830 0.3 . 1 . . . . 106 GLN CA . 17042 1 385 . 1 1 106 106 GLN CB C 13 29.598 0.3 . 1 . . . . 106 GLN CB . 17042 1 386 . 1 1 106 106 GLN N N 15 125.180 0.3 . 1 . . . . 106 GLN N . 17042 1 387 . 1 1 107 107 VAL H H 1 8.131 0.020 . 1 . . . . 107 VAL H . 17042 1 388 . 1 1 107 107 VAL C C 13 175.493 0.3 . 1 . . . . 107 VAL C . 17042 1 389 . 1 1 107 107 VAL CA C 13 62.897 0.3 . 1 . . . . 107 VAL CA . 17042 1 390 . 1 1 107 107 VAL CB C 13 33.314 0.3 . 1 . . . . 107 VAL CB . 17042 1 391 . 1 1 107 107 VAL N N 15 121.900 0.3 . 1 . . . . 107 VAL N . 17042 1 392 . 1 1 108 108 ASP H H 1 8.345 0.020 . 1 . . . . 108 ASP H . 17042 1 393 . 1 1 108 108 ASP C C 13 175.040 0.3 . 1 . . . . 108 ASP C . 17042 1 394 . 1 1 108 108 ASP CA C 13 54.657 0.3 . 1 . . . . 108 ASP CA . 17042 1 395 . 1 1 108 108 ASP CB C 13 41.405 0.3 . 1 . . . . 108 ASP CB . 17042 1 396 . 1 1 108 108 ASP N N 15 123.865 0.3 . 1 . . . . 108 ASP N . 17042 1 397 . 1 1 109 109 ARG H H 1 8.183 0.020 . 1 . . . . 109 ARG H . 17042 1 398 . 1 1 109 109 ARG C C 13 175.893 0.3 . 1 . . . . 109 ARG C . 17042 1 399 . 1 1 109 109 ARG CA C 13 56.467 0.3 . 1 . . . . 109 ARG CA . 17042 1 400 . 1 1 109 109 ARG CB C 13 31.120 0.3 . 1 . . . . 109 ARG CB . 17042 1 401 . 1 1 109 109 ARG N N 15 121.654 0.3 . 1 . . . . 109 ARG N . 17042 1 402 . 1 1 110 110 ASP H H 1 8.344 0.020 . 1 . . . . 110 ASP H . 17042 1 403 . 1 1 110 110 ASP C C 13 176.000 0.3 . 1 . . . . 110 ASP C . 17042 1 404 . 1 1 110 110 ASP CA C 13 54.788 0.3 . 1 . . . . 110 ASP CA . 17042 1 405 . 1 1 110 110 ASP CB C 13 41.132 0.3 . 1 . . . . 110 ASP CB . 17042 1 406 . 1 1 110 110 ASP N N 15 120.811 0.3 . 1 . . . . 110 ASP N . 17042 1 407 . 1 1 111 111 LEU H H 1 8.057 0.020 . 1 . . . . 111 LEU H . 17042 1 408 . 1 1 111 111 LEU C C 13 177.467 0.3 . 1 . . . . 111 LEU C . 17042 1 409 . 1 1 111 111 LEU CA C 13 55.970 0.3 . 1 . . . . 111 LEU CA . 17042 1 410 . 1 1 111 111 LEU CB C 13 42.276 0.3 . 1 . . . . 111 LEU CB . 17042 1 411 . 1 1 111 111 LEU N N 15 121.994 0.3 . 1 . . . . 111 LEU N . 17042 1 412 . 1 1 112 112 ASP H H 1 8.175 0.020 . 1 . . . . 112 ASP H . 17042 1 413 . 1 1 112 112 ASP C C 13 176.827 0.3 . 1 . . . . 112 ASP C . 17042 1 414 . 1 1 112 112 ASP CA C 13 54.900 0.3 . 1 . . . . 112 ASP CA . 17042 1 415 . 1 1 112 112 ASP CB C 13 41.396 0.3 . 1 . . . . 112 ASP CB . 17042 1 416 . 1 1 112 112 ASP N N 15 119.896 0.3 . 1 . . . . 112 ASP N . 17042 1 417 . 1 1 113 113 GLY H H 1 8.213 0.020 . 1 . . . . 113 GLY H . 17042 1 418 . 1 1 113 113 GLY C C 13 174.480 0.3 . 1 . . . . 113 GLY C . 17042 1 419 . 1 1 113 113 GLY CA C 13 46.110 0.3 . 1 . . . . 113 GLY CA . 17042 1 420 . 1 1 113 113 GLY N N 15 109.124 0.3 . 1 . . . . 113 GLY N . 17042 1 421 . 1 1 114 114 LYS H H 1 8.051 0.020 . 1 . . . . 114 LYS H . 17042 1 422 . 1 1 114 114 LYS CA C 13 56.506 0.3 . 1 . . . . 114 LYS CA . 17042 1 423 . 1 1 114 114 LYS CB C 13 31.234 0.3 . 1 . . . . 114 LYS CB . 17042 1 424 . 1 1 114 114 LYS N N 15 120.281 0.3 . 1 . . . . 114 LYS N . 17042 1 425 . 1 1 121 121 LEU H H 1 8.296 0.020 . 1 . . . . 121 LEU H . 17042 1 426 . 1 1 121 121 LEU C C 13 177.947 0.3 . 1 . . . . 121 LEU C . 17042 1 427 . 1 1 121 121 LEU CA C 13 55.584 0.3 . 1 . . . . 121 LEU CA . 17042 1 428 . 1 1 121 121 LEU CB C 13 42.728 0.3 . 1 . . . . 121 LEU CB . 17042 1 429 . 1 1 121 121 LEU N N 15 122.493 0.3 . 1 . . . . 121 LEU N . 17042 1 430 . 1 1 122 122 GLY H H 1 8.392 0.020 . 1 . . . . 122 GLY H . 17042 1 431 . 1 1 122 122 GLY C C 13 174.400 0.3 . 1 . . . . 122 GLY C . 17042 1 432 . 1 1 122 122 GLY CA C 13 45.411 0.3 . 1 . . . . 122 GLY CA . 17042 1 433 . 1 1 122 122 GLY N N 15 109.794 0.3 . 1 . . . . 122 GLY N . 17042 1 434 . 1 1 123 123 GLY H H 1 8.216 0.020 . 1 . . . . 123 GLY H . 17042 1 435 . 1 1 123 123 GLY C C 13 173.946 0.3 . 1 . . . . 123 GLY C . 17042 1 436 . 1 1 123 123 GLY CA C 13 45.713 0.3 . 1 . . . . 123 GLY CA . 17042 1 437 . 1 1 123 123 GLY N N 15 108.743 0.3 . 1 . . . . 123 GLY N . 17042 1 438 . 1 1 124 124 ASP H H 1 8.301 0.020 . 1 . . . . 124 ASP H . 17042 1 439 . 1 1 124 124 ASP C C 13 176.187 0.3 . 1 . . . . 124 ASP C . 17042 1 440 . 1 1 124 124 ASP CA C 13 54.985 0.3 . 1 . . . . 124 ASP CA . 17042 1 441 . 1 1 124 124 ASP CB C 13 41.415 0.3 . 1 . . . . 124 ASP CB . 17042 1 442 . 1 1 124 124 ASP N N 15 120.109 0.3 . 1 . . . . 124 ASP N . 17042 1 443 . 1 1 125 125 ASN H H 1 8.329 0.020 . 1 . . . . 125 ASN H . 17042 1 444 . 1 1 125 125 ASN C C 13 174.853 0.3 . 1 . . . . 125 ASN C . 17042 1 445 . 1 1 125 125 ASN CA C 13 53.971 0.3 . 1 . . . . 125 ASN CA . 17042 1 446 . 1 1 125 125 ASN CB C 13 39.179 0.3 . 1 . . . . 125 ASN CB . 17042 1 447 . 1 1 125 125 ASN N N 15 118.437 0.3 . 1 . . . . 125 ASN N . 17042 1 448 . 1 1 126 126 ASP H H 1 8.182 0.020 . 1 . . . . 126 ASP H . 17042 1 449 . 1 1 126 126 ASP C C 13 176.027 0.3 . 1 . . . . 126 ASP C . 17042 1 450 . 1 1 126 126 ASP CA C 13 54.857 0.3 . 1 . . . . 126 ASP CA . 17042 1 451 . 1 1 126 126 ASP CB C 13 41.383 0.3 . 1 . . . . 126 ASP CB . 17042 1 452 . 1 1 126 126 ASP N N 15 120.077 0.3 . 1 . . . . 126 ASP N . 17042 1 453 . 1 1 127 127 ARG H H 1 7.950 0.020 . 1 . . . . 127 ARG H . 17042 1 454 . 1 1 127 127 ARG C C 13 175.947 0.3 . 1 . . . . 127 ARG C . 17042 1 455 . 1 1 127 127 ARG CA C 13 56.591 0.3 . 1 . . . . 127 ARG CA . 17042 1 456 . 1 1 127 127 ARG CB C 13 30.896 0.3 . 1 . . . . 127 ARG CB . 17042 1 457 . 1 1 127 127 ARG N N 15 120.470 0.3 . 1 . . . . 127 ARG N . 17042 1 458 . 1 1 128 128 VAL H H 1 7.888 0.020 . 1 . . . . 128 VAL H . 17042 1 459 . 1 1 128 128 VAL C C 13 175.813 0.3 . 1 . . . . 128 VAL C . 17042 1 460 . 1 1 128 128 VAL CA C 13 63.066 0.3 . 1 . . . . 128 VAL CA . 17042 1 461 . 1 1 128 128 VAL CB C 13 33.060 0.3 . 1 . . . . 128 VAL CB . 17042 1 462 . 1 1 128 128 VAL N N 15 120.427 0.3 . 1 . . . . 128 VAL N . 17042 1 463 . 1 1 129 129 PHE H H 1 8.206 0.020 . 1 . . . . 129 PHE H . 17042 1 464 . 1 1 129 129 PHE CA C 13 58.197 0.3 . 1 . . . . 129 PHE CA . 17042 1 465 . 1 1 129 129 PHE CB C 13 39.805 0.3 . 1 . . . . 129 PHE CB . 17042 1 466 . 1 1 129 129 PHE N N 15 123.359 0.3 . 1 . . . . 129 PHE N . 17042 1 467 . 1 1 131 131 ASP H H 1 8.176 0.020 . 1 . . . . 131 ASP H . 17042 1 468 . 1 1 131 131 ASP C C 13 176.240 0.3 . 1 . . . . 131 ASP C . 17042 1 469 . 1 1 131 131 ASP CA C 13 55.022 0.3 . 1 . . . . 131 ASP CA . 17042 1 470 . 1 1 131 131 ASP CB C 13 41.199 0.3 . 1 . . . . 131 ASP CB . 17042 1 471 . 1 1 131 131 ASP N N 15 120.753 0.3 . 1 . . . . 131 ASP N . 17042 1 472 . 1 1 132 132 LEU H H 1 7.867 0.020 . 1 . . . . 132 LEU H . 17042 1 473 . 1 1 132 132 LEU C C 13 177.333 0.3 . 1 . . . . 132 LEU C . 17042 1 474 . 1 1 132 132 LEU CA C 13 55.712 0.3 . 1 . . . . 132 LEU CA . 17042 1 475 . 1 1 132 132 LEU CB C 13 41.935 0.3 . 1 . . . . 132 LEU CB . 17042 1 476 . 1 1 132 132 LEU N N 15 121.093 0.3 . 1 . . . . 132 LEU N . 17042 1 477 . 1 1 133 133 TRP H H 1 7.850 0.020 . 1 . . . . 133 TRP H . 17042 1 478 . 1 1 133 133 TRP C C 13 176.800 0.3 . 1 . . . . 133 TRP C . 17042 1 479 . 1 1 133 133 TRP CA C 13 57.741 0.3 . 1 . . . . 133 TRP CA . 17042 1 480 . 1 1 133 133 TRP CB C 13 29.882 0.3 . 1 . . . . 133 TRP CB . 17042 1 481 . 1 1 133 133 TRP N N 15 120.018 0.3 . 1 . . . . 133 TRP N . 17042 1 482 . 1 1 134 134 GLY H H 1 8.099 0.020 . 1 . . . . 134 GLY H . 17042 1 483 . 1 1 134 134 GLY C C 13 173.919 0.3 . 1 . . . . 134 GLY C . 17042 1 484 . 1 1 134 134 GLY CA C 13 45.654 0.3 . 1 . . . . 134 GLY CA . 17042 1 485 . 1 1 134 134 GLY N N 15 110.147 0.3 . 1 . . . . 134 GLY N . 17042 1 486 . 1 1 135 135 LYS H H 1 8.169 0.020 . 1 . . . . 135 LYS H . 17042 1 487 . 1 1 135 135 LYS C C 13 176.267 0.3 . 1 . . . . 135 LYS C . 17042 1 488 . 1 1 135 135 LYS CA C 13 56.956 0.3 . 1 . . . . 135 LYS CA . 17042 1 489 . 1 1 135 135 LYS CB C 13 30.541 0.3 . 1 . . . . 135 LYS CB . 17042 1 490 . 1 1 135 135 LYS N N 15 120.221 0.3 . 1 . . . . 135 LYS N . 17042 1 491 . 1 1 136 136 ASP H H 1 8.269 0.020 . 1 . . . . 136 ASP H . 17042 1 492 . 1 1 136 136 ASP C C 13 175.626 0.3 . 1 . . . . 136 ASP C . 17042 1 493 . 1 1 136 136 ASP CA C 13 54.671 0.3 . 1 . . . . 136 ASP CA . 17042 1 494 . 1 1 136 136 ASP CB C 13 41.265 0.3 . 1 . . . . 136 ASP CB . 17042 1 495 . 1 1 136 136 ASP N N 15 119.747 0.3 . 1 . . . . 136 ASP N . 17042 1 496 . 1 1 137 137 ASN H H 1 8.131 0.020 . 1 . . . . 137 ASN H . 17042 1 497 . 1 1 137 137 ASN C C 13 174.426 0.3 . 1 . . . . 137 ASN C . 17042 1 498 . 1 1 137 137 ASN CA C 13 53.853 0.3 . 1 . . . . 137 ASN CA . 17042 1 499 . 1 1 137 137 ASN CB C 13 39.315 0.3 . 1 . . . . 137 ASN CB . 17042 1 500 . 1 1 137 137 ASN N N 15 118.269 0.3 . 1 . . . . 137 ASN N . 17042 1 501 . 1 1 138 138 VAL H H 1 7.862 0.020 . 1 . . . . 138 VAL H . 17042 1 502 . 1 1 138 138 VAL CA C 13 63.495 0.3 . 1 . . . . 138 VAL CA . 17042 1 503 . 1 1 138 138 VAL CB C 13 32.722 0.3 . 1 . . . . 138 VAL CB . 17042 1 504 . 1 1 138 138 VAL N N 15 121.537 0.3 . 1 . . . . 138 VAL N . 17042 1 505 . 1 1 140 140 VAL H H 1 8.080 0.020 . 1 . . . . 140 VAL H . 17042 1 506 . 1 1 140 140 VAL C C 13 175.840 0.3 . 1 . . . . 140 VAL C . 17042 1 507 . 1 1 140 140 VAL CA C 13 63.268 0.3 . 1 . . . . 140 VAL CA . 17042 1 508 . 1 1 140 140 VAL CB C 13 32.248 0.3 . 1 . . . . 140 VAL CB . 17042 1 509 . 1 1 140 140 VAL N N 15 121.197 0.3 . 1 . . . . 140 VAL N . 17042 1 510 . 1 1 141 141 VAL H H 1 8.146 0.020 . 1 . . . . 141 VAL H . 17042 1 511 . 1 1 141 141 VAL C C 13 175.546 0.3 . 1 . . . . 141 VAL C . 17042 1 512 . 1 1 141 141 VAL CA C 13 62.508 0.3 . 1 . . . . 141 VAL CA . 17042 1 513 . 1 1 141 141 VAL CB C 13 33.009 0.3 . 1 . . . . 141 VAL CB . 17042 1 514 . 1 1 141 141 VAL N N 15 125.124 0.3 . 1 . . . . 141 VAL N . 17042 1 515 . 1 1 142 142 LEU H H 1 8.294 0.020 . 1 . . . . 142 LEU H . 17042 1 516 . 1 1 142 142 LEU C C 13 173.640 0.3 . 1 . . . . 142 LEU C . 17042 1 517 . 1 1 142 142 LEU CA C 13 55.058 0.3 . 1 . . . . 142 LEU CA . 17042 1 518 . 1 1 142 142 LEU CB C 13 42.666 0.3 . 1 . . . . 142 LEU CB . 17042 1 519 . 1 1 142 142 LEU N N 15 126.840 0.3 . 1 . . . . 142 LEU N . 17042 1 520 . 1 1 143 143 ASN H H 1 8.290 0.020 . 1 . . . . 143 ASN H . 17042 1 521 . 1 1 143 143 ASN CA C 13 53.481 0.3 . 1 . . . . 143 ASN CA . 17042 1 522 . 1 1 143 143 ASN CB C 13 39.264 0.3 . 1 . . . . 143 ASN CB . 17042 1 523 . 1 1 143 143 ASN N N 15 118.989 0.3 . 1 . . . . 143 ASN N . 17042 1 524 . 1 1 146 146 TYR H H 1 7.998 0.020 . 1 . . . . 146 TYR H . 17042 1 525 . 1 1 146 146 TYR C C 13 175.733 0.3 . 1 . . . . 146 TYR C . 17042 1 526 . 1 1 146 146 TYR CA C 13 58.076 0.3 . 1 . . . . 146 TYR CA . 17042 1 527 . 1 1 146 146 TYR CB C 13 38.512 0.3 . 1 . . . . 146 TYR CB . 17042 1 528 . 1 1 146 146 TYR N N 15 119.401 0.3 . 1 . . . . 146 TYR N . 17042 1 529 . 1 1 147 147 SER H H 1 7.827 0.020 . 1 . . . . 147 SER H . 17042 1 530 . 1 1 147 147 SER C C 13 174.186 0.3 . 1 . . . . 147 SER C . 17042 1 531 . 1 1 147 147 SER CA C 13 58.386 0.3 . 1 . . . . 147 SER CA . 17042 1 532 . 1 1 147 147 SER CB C 13 64.080 0.3 . 1 . . . . 147 SER CB . 17042 1 533 . 1 1 147 147 SER N N 15 117.074 0.3 . 1 . . . . 147 SER N . 17042 1 534 . 1 1 148 148 GLU H H 1 8.345 0.020 . 1 . . . . 148 GLU H . 17042 1 535 . 1 1 148 148 GLU CA C 13 57.024 0.3 . 1 . . . . 148 GLU CA . 17042 1 536 . 1 1 148 148 GLU CB C 13 30.453 0.3 . 1 . . . . 148 GLU CB . 17042 1 537 . 1 1 148 148 GLU N N 15 123.037 0.3 . 1 . . . . 148 GLU N . 17042 1 538 . 1 1 154 154 THR H H 1 8.122 0.020 . 1 . . . . 154 THR H . 17042 1 539 . 1 1 154 154 THR CA C 13 62.085 0.3 . 1 . . . . 154 THR CA . 17042 1 540 . 1 1 154 154 THR CB C 13 70.120 0.3 . 1 . . . . 154 THR CB . 17042 1 541 . 1 1 154 154 THR N N 15 114.191 0.3 . 1 . . . . 154 THR N . 17042 1 542 . 1 1 161 161 THR H H 1 8.145 0.020 . 1 . . . . 161 THR H . 17042 1 543 . 1 1 161 161 THR CA C 13 62.085 0.3 . 1 . . . . 161 THR CA . 17042 1 544 . 1 1 161 161 THR CB C 13 69.861 0.3 . 1 . . . . 161 THR CB . 17042 1 545 . 1 1 161 161 THR N N 15 113.160 0.3 . 1 . . . . 161 THR N . 17042 1 546 . 1 1 164 164 GLY H H 1 8.170 0.020 . 1 . . . . 164 GLY H . 17042 1 547 . 1 1 164 164 GLY C C 13 171.399 0.3 . 1 . . . . 164 GLY C . 17042 1 548 . 1 1 164 164 GLY CA C 13 45.602 0.3 . 1 . . . . 164 GLY CA . 17042 1 549 . 1 1 164 164 GLY N N 15 113.992 0.3 . 1 . . . . 164 GLY N . 17042 1 550 . 1 1 165 165 SER H H 1 8.123 0.020 . 1 . . . . 165 SER H . 17042 1 551 . 1 1 165 165 SER CA C 13 56.929 0.3 . 1 . . . . 165 SER CA . 17042 1 552 . 1 1 165 165 SER CB C 13 63.775 0.3 . 1 . . . . 165 SER CB . 17042 1 553 . 1 1 165 165 SER N N 15 116.780 0.3 . 1 . . . . 165 SER N . 17042 1 stop_ save_