################################### # 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 18773 _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 2 '3D CBCA(CO)NH' . . . 18773 1 3 '3D H(CA)CO(CA)NH' . . . 18773 1 4 '3D HNCO' . . . 18773 1 5 '3D HNCA' . . . 18773 1 6 '3D HNCACB' . . . 18773 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LEU H H 1 7.756 0.03 . 1 . . . . 3 LEU H . 18773 1 2 . 1 1 3 3 LEU CA C 13 55.33 0.31 . 1 . . . . 3 LEU CA . 18773 1 3 . 1 1 3 3 LEU CB C 13 41.79 0.31 . 1 . . . . 3 LEU CB . 18773 1 4 . 1 1 3 3 LEU N N 15 123.01 0.14 . 1 . . . . 3 LEU N . 18773 1 5 . 1 1 4 4 ASP H H 1 7.672 0.03 . 1 . . . . 4 ASP H . 18773 1 6 . 1 1 4 4 ASP CA C 13 54.71 0.31 . 1 . . . . 4 ASP CA . 18773 1 7 . 1 1 4 4 ASP CB C 13 40.59 0.31 . 1 . . . . 4 ASP CB . 18773 1 8 . 1 1 4 4 ASP N N 15 120.04 0.14 . 1 . . . . 4 ASP N . 18773 1 9 . 1 1 5 5 LYS H H 1 7.572 0.03 . 1 . . . . 5 LYS H . 18773 1 10 . 1 1 5 5 LYS C C 13 176.19 0.31 . 1 . . . . 5 LYS C . 18773 1 11 . 1 1 5 5 LYS CA C 13 56.82 0.31 . 1 . . . . 5 LYS CA . 18773 1 12 . 1 1 5 5 LYS CB C 13 32.21 0.31 . 1 . . . . 5 LYS CB . 18773 1 13 . 1 1 5 5 LYS N N 15 120.46 0.14 . 1 . . . . 5 LYS N . 18773 1 14 . 1 1 6 6 TYR H H 1 7.599 0.03 . 1 . . . . 6 TYR H . 18773 1 15 . 1 1 6 6 TYR C C 13 175.85 0.31 . 1 . . . . 6 TYR C . 18773 1 16 . 1 1 6 6 TYR CA C 13 58.18 0.31 . 1 . . . . 6 TYR CA . 18773 1 17 . 1 1 6 6 TYR CB C 13 37.81 0.31 . 1 . . . . 6 TYR CB . 18773 1 18 . 1 1 6 6 TYR N N 15 119.19 0.14 . 1 . . . . 6 TYR N . 18773 1 19 . 1 1 7 7 LEU H H 1 7.515 0.03 . 1 . . . . 7 LEU H . 18773 1 20 . 1 1 7 7 LEU C C 13 177.45 0.31 . 1 . . . . 7 LEU C . 18773 1 21 . 1 1 7 7 LEU CA C 13 55.30 0.31 . 1 . . . . 7 LEU CA . 18773 1 22 . 1 1 7 7 LEU CB C 13 41.91 0.31 . 1 . . . . 7 LEU CB . 18773 1 23 . 1 1 7 7 LEU N N 15 121.59 0.14 . 1 . . . . 7 LEU N . 18773 1 24 . 1 1 8 8 THR H H 1 7.573 0.03 . 1 . . . . 8 THR H . 18773 1 25 . 1 1 8 8 THR C C 13 174.82 0.31 . 1 . . . . 8 THR C . 18773 1 26 . 1 1 8 8 THR CA C 13 62.14 0.31 . 1 . . . . 8 THR CA . 18773 1 27 . 1 1 8 8 THR CB C 13 69.33 0.31 . 1 . . . . 8 THR CB . 18773 1 28 . 1 1 8 8 THR N N 15 112.83 0.14 . 1 . . . . 8 THR N . 18773 1 29 . 1 1 9 9 GLU H H 1 7.929 0.03 . 1 . . . . 9 GLU H . 18773 1 30 . 1 1 9 9 GLU C C 13 176.95 0.31 . 1 . . . . 9 GLU C . 18773 1 31 . 1 1 9 9 GLU CA C 13 57.37 0.31 . 1 . . . . 9 GLU CA . 18773 1 32 . 1 1 9 9 GLU CB C 13 29.60 0.31 . 1 . . . . 9 GLU CB . 18773 1 33 . 1 1 9 9 GLU N N 15 121.59 0.14 . 1 . . . . 9 GLU N . 18773 1 34 . 1 1 10 10 SER H H 1 7.785 0.03 . 1 . . . . 10 SER H . 18773 1 35 . 1 1 10 10 SER C C 13 174.80 0.31 . 1 . . . . 10 SER C . 18773 1 36 . 1 1 10 10 SER CA C 13 59.21 0.31 . 1 . . . . 10 SER CA . 18773 1 37 . 1 1 10 10 SER CB C 13 62.83 0.31 . 1 . . . . 10 SER CB . 18773 1 38 . 1 1 10 10 SER N N 15 115.23 0.14 . 1 . . . . 10 SER N . 18773 1 39 . 1 1 11 11 GLN H H 1 7.679 0.03 . 1 . . . . 11 GLN H . 18773 1 40 . 1 1 11 11 GLN C C 13 175.10 0.31 . 1 . . . . 11 GLN C . 18773 1 41 . 1 1 11 11 GLN CA C 13 56.55 0.31 . 1 . . . . 11 GLN CA . 18773 1 42 . 1 1 11 11 GLN CB C 13 28.59 0.31 . 1 . . . . 11 GLN CB . 18773 1 43 . 1 1 11 11 GLN N N 15 120.60 0.14 . 1 . . . . 11 GLN N . 18773 1 44 . 1 1 12 12 PHE H H 1 7.591 0.03 . 1 . . . . 12 PHE H . 18773 1 45 . 1 1 12 12 PHE CA C 13 58.26 0.31 . 1 . . . . 12 PHE CA . 18773 1 46 . 1 1 12 12 PHE CB C 13 38.86 0.31 . 1 . . . . 12 PHE CB . 18773 1 47 . 1 1 12 12 PHE N N 15 119.19 0.14 . 1 . . . . 12 PHE N . 18773 1 48 . 1 1 13 13 HIS H H 1 7.508 0.03 . 1 . . . . 13 HIS H . 18773 1 49 . 1 1 13 13 HIS C C 13 176.22 0.31 . 1 . . . . 13 HIS C . 18773 1 50 . 1 1 13 13 HIS CA C 13 57.26 0.31 . 1 . . . . 13 HIS CA . 18773 1 51 . 1 1 13 13 HIS CB C 13 30.10 0.31 . 1 . . . . 13 HIS CB . 18773 1 52 . 1 1 13 13 HIS N N 15 119.76 0.14 . 1 . . . . 13 HIS N . 18773 1 53 . 1 1 14 14 ASP H H 1 7.538 0.03 . 1 . . . . 14 ASP H . 18773 1 54 . 1 1 14 14 ASP C C 13 176.60 0.31 . 1 . . . . 14 ASP C . 18773 1 55 . 1 1 14 14 ASP CA C 13 55.32 0.31 . 1 . . . . 14 ASP CA . 18773 1 56 . 1 1 14 14 ASP CB C 13 39.96 0.31 . 1 . . . . 14 ASP CB . 18773 1 57 . 1 1 14 14 ASP N N 15 120.60 0.14 . 1 . . . . 14 ASP N . 18773 1 58 . 1 1 15 15 LYS H H 1 7.619 0.03 . 1 . . . . 15 LYS H . 18773 1 59 . 1 1 15 15 LYS C C 13 176.38 0.31 . 1 . . . . 15 LYS C . 18773 1 60 . 1 1 15 15 LYS CA C 13 57.80 0.31 . 1 . . . . 15 LYS CA . 18773 1 61 . 1 1 15 15 LYS CB C 13 32.08 0.31 . 1 . . . . 15 LYS CB . 18773 1 62 . 1 1 15 15 LYS N N 15 120.32 0.14 . 1 . . . . 15 LYS N . 18773 1 63 . 1 1 16 16 ARG H H 1 7.706 0.03 . 1 . . . . 16 ARG H . 18773 1 64 . 1 1 16 16 ARG C C 13 177.74 0.31 . 1 . . . . 16 ARG C . 18773 1 65 . 1 1 16 16 ARG CA C 13 58.00 0.31 . 1 . . . . 16 ARG CA . 18773 1 66 . 1 1 16 16 ARG CB C 13 29.42 0.31 . 1 . . . . 16 ARG CB . 18773 1 67 . 1 1 16 16 ARG N N 15 119.61 0.14 . 1 . . . . 16 ARG N . 18773 1 68 . 1 1 17 17 ILE H H 1 7.483 0.03 . 1 . . . . 17 ILE H . 18773 1 69 . 1 1 17 17 ILE C C 13 179.32 0.31 . 1 . . . . 17 ILE C . 18773 1 70 . 1 1 17 17 ILE CA C 13 62.93 0.31 . 1 . . . . 17 ILE CA . 18773 1 71 . 1 1 17 17 ILE CB C 13 37.11 0.31 . 1 . . . . 17 ILE CB . 18773 1 72 . 1 1 17 17 ILE N N 15 118.91 0.14 . 1 . . . . 17 ILE N . 18773 1 73 . 1 1 18 18 ALA H H 1 7.319 0.03 . 1 . . . . 18 ALA H . 18773 1 74 . 1 1 18 18 ALA C C 13 176.25 0.31 . 1 . . . . 18 ALA C . 18773 1 75 . 1 1 18 18 ALA CA C 13 55.24 0.31 . 1 . . . . 18 ALA CA . 18773 1 76 . 1 1 18 18 ALA CB C 13 18.10 0.31 . 1 . . . . 18 ALA CB . 18773 1 77 . 1 1 18 18 ALA N N 15 122.44 0.14 . 1 . . . . 18 ALA N . 18773 1 78 . 1 1 19 19 GLU H H 1 7.346 0.03 . 1 . . . . 19 GLU H . 18773 1 79 . 1 1 19 19 GLU C C 13 179.41 0.31 . 1 . . . . 19 GLU C . 18773 1 80 . 1 1 19 19 GLU CA C 13 58.75 0.31 . 1 . . . . 19 GLU CA . 18773 1 81 . 1 1 19 19 GLU CB C 13 29.02 0.31 . 1 . . . . 19 GLU CB . 18773 1 82 . 1 1 19 19 GLU N N 15 117.07 0.14 . 1 . . . . 19 GLU N . 18773 1 83 . 1 1 20 20 GLU H H 1 7.948 0.03 . 1 . . . . 20 GLU H . 18773 1 84 . 1 1 20 20 GLU C C 13 179.69 0.31 . 1 . . . . 20 GLU C . 18773 1 85 . 1 1 20 20 GLU CA C 13 58.93 0.31 . 1 . . . . 20 GLU CA . 18773 1 86 . 1 1 20 20 GLU CB C 13 29.42 0.31 . 1 . . . . 20 GLU CB . 18773 1 87 . 1 1 20 20 GLU N N 15 119.90 0.14 . 1 . . . . 20 GLU N . 18773 1 88 . 1 1 21 21 LEU H H 1 8.276 0.03 . 1 . . . . 21 LEU H . 18773 1 89 . 1 1 21 21 LEU C C 13 177.77 0.31 . 1 . . . . 21 LEU C . 18773 1 90 . 1 1 21 21 LEU CA C 13 57.49 0.31 . 1 . . . . 21 LEU CA . 18773 1 91 . 1 1 21 21 LEU CB C 13 41.69 0.31 . 1 . . . . 21 LEU CB . 18773 1 92 . 1 1 21 21 LEU N N 15 120.04 0.14 . 1 . . . . 21 LEU N . 18773 1 93 . 1 1 22 22 ARG H H 1 8.002 0.03 . 1 . . . . 22 ARG H . 18773 1 94 . 1 1 22 22 ARG C C 13 178.31 0.31 . 1 . . . . 22 ARG C . 18773 1 95 . 1 1 22 22 ARG CA C 13 60.35 0.31 . 1 . . . . 22 ARG CA . 18773 1 96 . 1 1 22 22 ARG CB C 13 29.70 0.31 . 1 . . . . 22 ARG CB . 18773 1 97 . 1 1 22 22 ARG N N 15 119.19 0.14 . 1 . . . . 22 ARG N . 18773 1 98 . 1 1 23 23 THR H H 1 7.620 0.03 . 1 . . . . 23 THR H . 18773 1 99 . 1 1 23 23 THR C C 13 176.60 0.31 . 1 . . . . 23 THR C . 18773 1 100 . 1 1 23 23 THR CA C 13 66.52 0.31 . 1 . . . . 23 THR CA . 18773 1 101 . 1 1 23 23 THR CB C 13 68.08 0.31 . 1 . . . . 23 THR CB . 18773 1 102 . 1 1 23 23 THR N N 15 115.51 0.14 . 1 . . . . 23 THR N . 18773 1 103 . 1 1 24 24 LEU H H 1 7.373 0.03 . 1 . . . . 24 LEU H . 18773 1 104 . 1 1 24 24 LEU C C 13 181.12 0.31 . 1 . . . . 24 LEU C . 18773 1 105 . 1 1 24 24 LEU CA C 13 57.84 0.31 . 1 . . . . 24 LEU CA . 18773 1 106 . 1 1 24 24 LEU CB C 13 42.21 0.31 . 1 . . . . 24 LEU CB . 18773 1 107 . 1 1 24 24 LEU N N 15 121.03 0.14 . 1 . . . . 24 LEU N . 18773 1 108 . 1 1 25 25 LEU H H 1 8.548 0.03 . 1 . . . . 25 LEU H . 18773 1 109 . 1 1 25 25 LEU C C 13 178.94 0.31 . 1 . . . . 25 LEU C . 18773 1 110 . 1 1 25 25 LEU CA C 13 57.53 0.31 . 1 . . . . 25 LEU CA . 18773 1 111 . 1 1 25 25 LEU CB C 13 41.27 0.31 . 1 . . . . 25 LEU CB . 18773 1 112 . 1 1 25 25 LEU N N 15 124.00 0.14 . 1 . . . . 25 LEU N . 18773 1 113 . 1 1 26 26 ASN H H 1 7.592 0.03 . 1 . . . . 26 ASN H . 18773 1 114 . 1 1 26 26 ASN C C 13 175.83 0.31 . 1 . . . . 26 ASN C . 18773 1 115 . 1 1 26 26 ASN CA C 13 54.38 0.31 . 1 . . . . 26 ASN CA . 18773 1 116 . 1 1 26 26 ASN CB C 13 37.79 0.31 . 1 . . . . 26 ASN CB . 18773 1 117 . 1 1 26 26 ASN N N 15 117.49 0.14 . 1 . . . . 26 ASN N . 18773 1 118 . 1 1 27 27 LYS H H 1 7.020 0.03 . 1 . . . . 27 LYS H . 18773 1 119 . 1 1 27 27 LYS C C 13 176.52 0.31 . 1 . . . . 27 LYS C . 18773 1 120 . 1 1 27 27 LYS CA C 13 55.95 0.31 . 1 . . . . 27 LYS CA . 18773 1 121 . 1 1 27 27 LYS CB C 13 33.13 0.31 . 1 . . . . 27 LYS CB . 18773 1 122 . 1 1 27 27 LYS N N 15 115.80 0.14 . 1 . . . . 27 LYS N . 18773 1 123 . 1 1 28 28 SER H H 1 7.510 0.03 . 1 . . . . 28 SER H . 18773 1 124 . 1 1 28 28 SER C C 13 176.04 0.31 . 1 . . . . 28 SER C . 18773 1 125 . 1 1 28 28 SER CA C 13 62.86 0.31 . 1 . . . . 28 SER CA . 18773 1 126 . 1 1 28 28 SER CB C 13 62.06 0.31 . 1 . . . . 28 SER CB . 18773 1 127 . 1 1 28 28 SER N N 15 117.63 0.14 . 1 . . . . 28 SER N . 18773 1 128 . 1 1 29 29 ASN H H 1 7.947 0.03 . 1 . . . . 29 ASN H . 18773 1 129 . 1 1 29 29 ASN C C 13 177.23 0.31 . 1 . . . . 29 ASN C . 18773 1 130 . 1 1 29 29 ASN CA C 13 56.13 0.31 . 1 . . . . 29 ASN CA . 18773 1 131 . 1 1 29 29 ASN CB C 13 37.47 0.31 . 1 . . . . 29 ASN CB . 18773 1 132 . 1 1 29 29 ASN N N 15 119.19 0.14 . 1 . . . . 29 ASN N . 18773 1 133 . 1 1 30 30 VAL H H 1 7.237 0.03 . 1 . . . . 30 VAL H . 18773 1 134 . 1 1 30 30 VAL C C 13 178.24 0.31 . 1 . . . . 30 VAL C . 18773 1 135 . 1 1 30 30 VAL CA C 13 65.70 0.31 . 1 . . . . 30 VAL CA . 18773 1 136 . 1 1 30 30 VAL CB C 13 31.25 0.31 . 1 . . . . 30 VAL CB . 18773 1 137 . 1 1 30 30 VAL N N 15 120.46 0.14 . 1 . . . . 30 VAL N . 18773 1 138 . 1 1 31 31 TYR H H 1 7.127 0.03 . 1 . . . . 31 TYR H . 18773 1 139 . 1 1 31 31 TYR C C 13 177.15 0.31 . 1 . . . . 31 TYR C . 18773 1 140 . 1 1 31 31 TYR CA C 13 63.36 0.31 . 1 . . . . 31 TYR CA . 18773 1 141 . 1 1 31 31 TYR CB C 13 38.35 0.31 . 1 . . . . 31 TYR CB . 18773 1 142 . 1 1 31 31 TYR N N 15 119.19 0.14 . 1 . . . . 31 TYR N . 18773 1 143 . 1 1 32 32 ALA H H 1 8.438 0.03 . 1 . . . . 32 ALA H . 18773 1 144 . 1 1 32 32 ALA C C 13 179.96 0.31 . 1 . . . . 32 ALA C . 18773 1 145 . 1 1 32 32 ALA CA C 13 55.38 0.31 . 1 . . . . 32 ALA CA . 18773 1 146 . 1 1 32 32 ALA CB C 13 17.58 0.31 . 1 . . . . 32 ALA CB . 18773 1 147 . 1 1 32 32 ALA N N 15 121.59 0.14 . 1 . . . . 32 ALA N . 18773 1 148 . 1 1 33 33 LEU H H 1 7.237 0.03 . 1 . . . . 33 LEU H . 18773 1 149 . 1 1 33 33 LEU C C 13 180.50 0.31 . 1 . . . . 33 LEU C . 18773 1 150 . 1 1 33 33 LEU CA C 13 57.20 0.31 . 1 . . . . 33 LEU CA . 18773 1 151 . 1 1 33 33 LEU CB C 13 41.28 0.31 . 1 . . . . 33 LEU CB . 18773 1 152 . 1 1 33 33 LEU N N 15 118.20 0.14 . 1 . . . . 33 LEU N . 18773 1 153 . 1 1 34 34 ALA H H 1 7.428 0.03 . 1 . . . . 34 ALA H . 18773 1 154 . 1 1 34 34 ALA C C 13 178.32 0.31 . 1 . . . . 34 ALA C . 18773 1 155 . 1 1 34 34 ALA CA C 13 54.41 0.31 . 1 . . . . 34 ALA CA . 18773 1 156 . 1 1 34 34 ALA CB C 13 17.80 0.31 . 1 . . . . 34 ALA CB . 18773 1 157 . 1 1 34 34 ALA N N 15 123.15 0.14 . 1 . . . . 34 ALA N . 18773 1 158 . 1 1 35 35 ALA H H 1 7.755 0.03 . 1 . . . . 35 ALA H . 18773 1 159 . 1 1 35 35 ALA C C 13 179.02 0.31 . 1 . . . . 35 ALA C . 18773 1 160 . 1 1 35 35 ALA CA C 13 51.92 0.31 . 1 . . . . 35 ALA CA . 18773 1 161 . 1 1 35 35 ALA CB C 13 17.87 0.31 . 1 . . . . 35 ALA CB . 18773 1 162 . 1 1 35 35 ALA N N 15 115.23 0.14 . 1 . . . . 35 ALA N . 18773 1 163 . 1 1 36 36 GLY H H 1 7.483 0.03 . 1 . . . . 36 GLY H . 18773 1 164 . 1 1 36 36 GLY CA C 13 47.33 0.31 . 1 . . . . 36 GLY CA . 18773 1 165 . 1 1 36 36 GLY N N 15 108.30 0.14 . 1 . . . . 36 GLY N . 18773 1 166 . 1 1 37 37 SER H H 1 7.455 0.03 . 1 . . . . 37 SER H . 18773 1 167 . 1 1 37 37 SER C C 13 173.55 0.31 . 1 . . . . 37 SER C . 18773 1 168 . 1 1 37 37 SER CA C 13 57.85 0.31 . 1 . . . . 37 SER CA . 18773 1 169 . 1 1 37 37 SER CB C 13 63.10 0.31 . 1 . . . . 37 SER CB . 18773 1 170 . 1 1 37 37 SER N N 15 112.69 0.14 . 1 . . . . 37 SER N . 18773 1 171 . 1 1 38 38 LEU H H 1 6.913 0.03 . 1 . . . . 38 LEU H . 18773 1 172 . 1 1 38 38 LEU C C 13 175.39 0.31 . 1 . . . . 38 LEU C . 18773 1 173 . 1 1 38 38 LEU CA C 13 52.84 0.31 . 1 . . . . 38 LEU CA . 18773 1 174 . 1 1 38 38 LEU CB C 13 43.76 0.31 . 1 . . . . 38 LEU CB . 18773 1 175 . 1 1 38 38 LEU N N 15 120.18 0.14 . 1 . . . . 38 LEU N . 18773 1 176 . 1 1 39 39 ASN H H 1 8.248 0.03 . 1 . . . . 39 ASN H . 18773 1 177 . 1 1 39 39 ASN C C 13 175.35 0.31 . 1 . . . . 39 ASN C . 18773 1 178 . 1 1 39 39 ASN CA C 13 52.83 0.31 . 1 . . . . 39 ASN CA . 18773 1 179 . 1 1 39 39 ASN CB C 13 39.35 0.31 . 1 . . . . 39 ASN CB . 18773 1 180 . 1 1 39 39 ASN N N 15 118.77 0.14 . 1 . . . . 39 ASN N . 18773 1 181 . 1 1 40 40 PRO CA C 13 65.16 0.31 . 1 . . . . 40 PRO CA . 18773 1 182 . 1 1 40 40 PRO CB C 13 31.96 0.31 . 1 . . . . 40 PRO CB . 18773 1 183 . 1 1 41 41 TYR H H 1 8.138 0.03 . 1 . . . . 41 TYR H . 18773 1 184 . 1 1 41 41 TYR C C 13 177.45 0.31 . 1 . . . . 41 TYR C . 18773 1 185 . 1 1 41 41 TYR CA C 13 60.80 0.31 . 1 . . . . 41 TYR CA . 18773 1 186 . 1 1 41 41 TYR CB C 13 39.41 0.31 . 1 . . . . 41 TYR CB . 18773 1 187 . 1 1 41 41 TYR N N 15 118.06 0.14 . 1 . . . . 41 TYR N . 18773 1 188 . 1 1 42 42 TYR H H 1 7.592 0.03 . 1 . . . . 42 TYR H . 18773 1 189 . 1 1 42 42 TYR C C 13 176.63 0.31 . 1 . . . . 42 TYR C . 18773 1 190 . 1 1 42 42 TYR CA C 13 63.46 0.31 . 1 . . . . 42 TYR CA . 18773 1 191 . 1 1 42 42 TYR CB C 13 37.53 0.31 . 1 . . . . 42 TYR CB . 18773 1 192 . 1 1 42 42 TYR N N 15 118.34 0.14 . 1 . . . . 42 TYR N . 18773 1 193 . 1 1 43 43 LYS H H 1 8.330 0.03 . 1 . . . . 43 LYS H . 18773 1 194 . 1 1 43 43 LYS C C 13 178.00 0.31 . 1 . . . . 43 LYS C . 18773 1 195 . 1 1 43 43 LYS CA C 13 60.01 0.31 . 1 . . . . 43 LYS CA . 18773 1 196 . 1 1 43 43 LYS CB C 13 31.92 0.31 . 1 . . . . 43 LYS CB . 18773 1 197 . 1 1 43 43 LYS N N 15 119.61 0.14 . 1 . . . . 43 LYS N . 18773 1 198 . 1 1 44 44 ARG H H 1 7.591 0.03 . 1 . . . . 44 ARG H . 18773 1 199 . 1 1 44 44 ARG C C 13 178.18 0.31 . 1 . . . . 44 ARG C . 18773 1 200 . 1 1 44 44 ARG CA C 13 59.16 0.31 . 1 . . . . 44 ARG CA . 18773 1 201 . 1 1 44 44 ARG CB C 13 29.58 0.31 . 1 . . . . 44 ARG CB . 18773 1 202 . 1 1 44 44 ARG N N 15 117.35 0.14 . 1 . . . . 44 ARG N . 18773 1 203 . 1 1 45 45 THR H H 1 7.456 0.03 . 1 . . . . 45 THR H . 18773 1 204 . 1 1 45 45 THR C C 13 177.05 0.31 . 1 . . . . 45 THR C . 18773 1 205 . 1 1 45 45 THR CA C 13 66.87 0.31 . 1 . . . . 45 THR CA . 18773 1 206 . 1 1 45 45 THR N N 15 116.64 0.14 . 1 . . . . 45 THR N . 18773 1 207 . 1 1 46 46 ILE H H 1 7.701 0.03 . 1 . . . . 46 ILE H . 18773 1 208 . 1 1 46 46 ILE C C 13 176.51 0.31 . 1 . . . . 46 ILE C . 18773 1 209 . 1 1 46 46 ILE CA C 13 66.25 0.31 . 1 . . . . 46 ILE CA . 18773 1 210 . 1 1 46 46 ILE CB C 13 37.81 0.31 . 1 . . . . 46 ILE CB . 18773 1 211 . 1 1 46 46 ILE N N 15 123.01 0.14 . 1 . . . . 46 ILE N . 18773 1 212 . 1 1 47 47 MET H H 1 7.646 0.03 . 1 . . . . 47 MET H . 18773 1 213 . 1 1 47 47 MET C C 13 178.87 0.31 . 1 . . . . 47 MET C . 18773 1 214 . 1 1 47 47 MET CA C 13 58.58 0.31 . 1 . . . . 47 MET CA . 18773 1 215 . 1 1 47 47 MET CB C 13 31.90 0.31 . 1 . . . . 47 MET CB . 18773 1 216 . 1 1 47 47 MET N N 15 117.07 0.14 . 1 . . . . 47 MET N . 18773 1 217 . 1 1 48 48 MET H H 1 7.893 0.03 . 1 . . . . 48 MET H . 18773 1 218 . 1 1 48 48 MET C C 13 178.47 0.31 . 1 . . . . 48 MET C . 18773 1 219 . 1 1 48 48 MET CA C 13 58.16 0.31 . 1 . . . . 48 MET CA . 18773 1 220 . 1 1 48 48 MET CB C 13 31.97 0.31 . 1 . . . . 48 MET CB . 18773 1 221 . 1 1 48 48 MET N N 15 118.06 0.14 . 1 . . . . 48 MET N . 18773 1 222 . 1 1 49 49 ASN H H 1 7.510 0.03 . 1 . . . . 49 ASN H . 18773 1 223 . 1 1 49 49 ASN C C 13 176.77 0.31 . 1 . . . . 49 ASN C . 18773 1 224 . 1 1 49 49 ASN CA C 13 56.25 0.31 . 1 . . . . 49 ASN CA . 18773 1 225 . 1 1 49 49 ASN CB C 13 38.75 0.31 . 1 . . . . 49 ASN CB . 18773 1 226 . 1 1 49 49 ASN N N 15 117.63 0.14 . 1 . . . . 49 ASN N . 18773 1 227 . 1 1 50 50 GLU H H 1 8.820 0.03 . 1 . . . . 50 GLU H . 18773 1 228 . 1 1 50 50 GLU C C 13 177.46 0.31 . 1 . . . . 50 GLU C . 18773 1 229 . 1 1 50 50 GLU CA C 13 59.89 0.31 . 1 . . . . 50 GLU CA . 18773 1 230 . 1 1 50 50 GLU CB C 13 29.37 0.31 . 1 . . . . 50 GLU CB . 18773 1 231 . 1 1 50 50 GLU N N 15 124.42 0.14 . 1 . . . . 50 GLU N . 18773 1 232 . 1 1 51 51 TYR H H 1 7.428 0.03 . 1 . . . . 51 TYR H . 18773 1 233 . 1 1 51 51 TYR C C 13 178.55 0.31 . 1 . . . . 51 TYR C . 18773 1 234 . 1 1 51 51 TYR CA C 13 61.22 0.31 . 1 . . . . 51 TYR CA . 18773 1 235 . 1 1 51 51 TYR CB C 13 37.22 0.31 . 1 . . . . 51 TYR CB . 18773 1 236 . 1 1 51 51 TYR N N 15 118.48 0.14 . 1 . . . . 51 TYR N . 18773 1 237 . 1 1 52 52 ARG H H 1 7.620 0.03 . 1 . . . . 52 ARG H . 18773 1 238 . 1 1 52 52 ARG C C 13 178.78 0.31 . 1 . . . . 52 ARG C . 18773 1 239 . 1 1 52 52 ARG CA C 13 59.05 0.31 . 1 . . . . 52 ARG CA . 18773 1 240 . 1 1 52 52 ARG CB C 13 30.35 0.31 . 1 . . . . 52 ARG CB . 18773 1 241 . 1 1 52 52 ARG N N 15 118.62 0.14 . 1 . . . . 52 ARG N . 18773 1 242 . 1 1 53 53 ALA H H 1 8.138 0.03 . 1 . . . . 53 ALA H . 18773 1 243 . 1 1 53 53 ALA C C 13 178.05 0.31 . 1 . . . . 53 ALA C . 18773 1 244 . 1 1 53 53 ALA CA C 13 54.75 0.31 . 1 . . . . 53 ALA CA . 18773 1 245 . 1 1 53 53 ALA CB C 13 20.00 0.31 . 1 . . . . 53 ALA CB . 18773 1 246 . 1 1 53 53 ALA N N 15 121.74 0.14 . 1 . . . . 53 ALA N . 18773 1 247 . 1 1 54 54 LYS H H 1 7.894 0.03 . 1 . . . . 54 LYS H . 18773 1 248 . 1 1 54 54 LYS C C 13 179.20 0.31 . 1 . . . . 54 LYS C . 18773 1 249 . 1 1 54 54 LYS CA C 13 60.01 0.31 . 1 . . . . 54 LYS CA . 18773 1 250 . 1 1 54 54 LYS CB C 13 32.00 0.31 . 1 . . . . 54 LYS CB . 18773 1 251 . 1 1 54 54 LYS N N 15 116.79 0.14 . 1 . . . . 54 LYS N . 18773 1 252 . 1 1 55 55 ALA H H 1 7.383 0.03 . 1 . . . . 55 ALA H . 18773 1 253 . 1 1 55 55 ALA C C 13 179.25 0.31 . 1 . . . . 55 ALA C . 18773 1 254 . 1 1 55 55 ALA CA C 13 54.40 0.31 . 1 . . . . 55 ALA CA . 18773 1 255 . 1 1 55 55 ALA CB C 13 17.32 0.31 . 1 . . . . 55 ALA CB . 18773 1 256 . 1 1 55 55 ALA N N 15 121.45 0.14 . 1 . . . . 55 ALA N . 18773 1 257 . 1 1 56 56 ALA H H 1 7.483 0.03 . 1 . . . . 56 ALA H . 18773 1 258 . 1 1 56 56 ALA C C 13 179.64 0.31 . 1 . . . . 56 ALA C . 18773 1 259 . 1 1 56 56 ALA CA C 13 54.67 0.31 . 1 . . . . 56 ALA CA . 18773 1 260 . 1 1 56 56 ALA CB C 13 17.76 0.31 . 1 . . . . 56 ALA CB . 18773 1 261 . 1 1 56 56 ALA N N 15 120.75 0.14 . 1 . . . . 56 ALA N . 18773 1 262 . 1 1 57 57 LEU H H 1 7.728 0.03 . 1 . . . . 57 LEU H . 18773 1 263 . 1 1 57 57 LEU C C 13 179.64 0.31 . 1 . . . . 57 LEU C . 18773 1 264 . 1 1 57 57 LEU CA C 13 57.28 0.31 . 1 . . . . 57 LEU CA . 18773 1 265 . 1 1 57 57 LEU CB C 13 42.17 0.31 . 1 . . . . 57 LEU CB . 18773 1 266 . 1 1 57 57 LEU N N 15 117.78 0.14 . 1 . . . . 57 LEU N . 18773 1 267 . 1 1 58 58 LYS H H 1 7.101 0.03 . 1 . . . . 58 LYS H . 18773 1 268 . 1 1 58 58 LYS C C 13 177.62 0.31 . 1 . . . . 58 LYS C . 18773 1 269 . 1 1 58 58 LYS CA C 13 58.49 0.31 . 1 . . . . 58 LYS CA . 18773 1 270 . 1 1 58 58 LYS CB C 13 31.90 0.31 . 1 . . . . 58 LYS CB . 18773 1 271 . 1 1 58 58 LYS N N 15 118.77 0.14 . 1 . . . . 58 LYS N . 18773 1 272 . 1 1 59 59 LYS H H 1 6.992 0.03 . 1 . . . . 59 LYS H . 18773 1 273 . 1 1 59 59 LYS C C 13 175.67 0.31 . 1 . . . . 59 LYS C . 18773 1 274 . 1 1 59 59 LYS CA C 13 55.85 0.31 . 1 . . . . 59 LYS CA . 18773 1 275 . 1 1 59 59 LYS CB C 13 32.82 0.31 . 1 . . . . 59 LYS CB . 18773 1 276 . 1 1 59 59 LYS N N 15 115.37 0.14 . 1 . . . . 59 LYS N . 18773 1 277 . 1 1 60 60 ASN H H 1 7.430 0.03 . 1 . . . . 60 ASN H . 18773 1 278 . 1 1 60 60 ASN C C 13 172.66 0.31 . 1 . . . . 60 ASN C . 18773 1 279 . 1 1 60 60 ASN CA C 13 53.52 0.31 . 1 . . . . 60 ASN CA . 18773 1 280 . 1 1 60 60 ASN CB C 13 37.21 0.31 . 1 . . . . 60 ASN CB . 18773 1 281 . 1 1 60 60 ASN N N 15 117.07 0.14 . 1 . . . . 60 ASN N . 18773 1 282 . 1 1 61 61 ASP H H 1 6.964 0.03 . 1 . . . . 61 ASP H . 18773 1 283 . 1 1 61 61 ASP C C 13 175.12 0.31 . 1 . . . . 61 ASP C . 18773 1 284 . 1 1 61 61 ASP CA C 13 51.58 0.31 . 1 . . . . 61 ASP CA . 18773 1 285 . 1 1 61 61 ASP CB C 13 41.27 0.31 . 1 . . . . 61 ASP CB . 18773 1 286 . 1 1 61 61 ASP N N 15 114.67 0.14 . 1 . . . . 61 ASP N . 18773 1 287 . 1 1 62 62 PHE H H 1 7.946 0.03 . 1 . . . . 62 PHE H . 18773 1 288 . 1 1 62 62 PHE C C 13 177.10 0.31 . 1 . . . . 62 PHE C . 18773 1 289 . 1 1 62 62 PHE CA C 13 61.58 0.31 . 1 . . . . 62 PHE CA . 18773 1 290 . 1 1 62 62 PHE CB C 13 38.76 0.31 . 1 . . . . 62 PHE CB . 18773 1 291 . 1 1 62 62 PHE N N 15 125.41 0.14 . 1 . . . . 62 PHE N . 18773 1 292 . 1 1 63 63 VAL H H 1 7.674 0.03 . 1 . . . . 63 VAL H . 18773 1 293 . 1 1 63 63 VAL C C 13 178.16 0.31 . 1 . . . . 63 VAL C . 18773 1 294 . 1 1 63 63 VAL CA C 13 66.27 0.31 . 1 . . . . 63 VAL CA . 18773 1 295 . 1 1 63 63 VAL CB C 13 31.14 0.31 . 1 . . . . 63 VAL CB . 18773 1 296 . 1 1 63 63 VAL N N 15 119.90 0.14 . 1 . . . . 63 VAL N . 18773 1 297 . 1 1 64 64 SER H H 1 7.263 0.03 . 1 . . . . 64 SER H . 18773 1 298 . 1 1 64 64 SER C C 13 177.28 0.31 . 1 . . . . 64 SER C . 18773 1 299 . 1 1 64 64 SER CA C 13 61.09 0.31 . 1 . . . . 64 SER CA . 18773 1 300 . 1 1 64 64 SER CB C 13 62.06 0.31 . 1 . . . . 64 SER CB . 18773 1 301 . 1 1 64 64 SER N N 15 114.81 0.14 . 1 . . . . 64 SER N . 18773 1 302 . 1 1 65 65 MET H H 1 8.001 0.03 . 1 . . . . 65 MET H . 18773 1 303 . 1 1 65 65 MET C C 13 176.44 0.31 . 1 . . . . 65 MET C . 18773 1 304 . 1 1 65 65 MET CA C 13 59.83 0.31 . 1 . . . . 65 MET CA . 18773 1 305 . 1 1 65 65 MET CB C 13 34.40 0.31 . 1 . . . . 65 MET CB . 18773 1 306 . 1 1 65 65 MET N N 15 120.60 0.14 . 1 . . . . 65 MET N . 18773 1 307 . 1 1 66 66 ALA H H 1 7.537 0.03 . 1 . . . . 66 ALA H . 18773 1 308 . 1 1 66 66 ALA C C 13 179.33 0.31 . 1 . . . . 66 ALA C . 18773 1 309 . 1 1 66 66 ALA CA C 13 55.27 0.31 . 1 . . . . 66 ALA CA . 18773 1 310 . 1 1 66 66 ALA CB C 13 17.24 0.31 . 1 . . . . 66 ALA CB . 18773 1 311 . 1 1 66 66 ALA N N 15 121.03 0.14 . 1 . . . . 66 ALA N . 18773 1 312 . 1 1 67 67 ASP H H 1 7.319 0.03 . 1 . . . . 67 ASP H . 18773 1 313 . 1 1 67 67 ASP C C 13 178.39 0.31 . 1 . . . . 67 ASP C . 18773 1 314 . 1 1 67 67 ASP CA C 13 56.90 0.31 . 1 . . . . 67 ASP CA . 18773 1 315 . 1 1 67 67 ASP CB C 13 40.76 0.31 . 1 . . . . 67 ASP CB . 18773 1 316 . 1 1 67 67 ASP N N 15 117.35 0.14 . 1 . . . . 67 ASP N . 18773 1 317 . 1 1 68 68 ALA H H 1 7.564 0.03 . 1 . . . . 68 ALA H . 18773 1 318 . 1 1 68 68 ALA C C 13 178.00 0.31 . 1 . . . . 68 ALA C . 18773 1 319 . 1 1 68 68 ALA CA C 13 54.10 0.31 . 1 . . . . 68 ALA CA . 18773 1 320 . 1 1 68 68 ALA CB C 13 17.24 0.31 . 1 . . . . 68 ALA CB . 18773 1 321 . 1 1 68 68 ALA N N 15 121.45 0.14 . 1 . . . . 68 ALA N . 18773 1 322 . 1 1 69 69 LYS H H 1 7.886 0.03 . 1 . . . . 69 LYS H . 18773 1 323 . 1 1 69 69 LYS C C 13 177.06 0.31 . 1 . . . . 69 LYS C . 18773 1 324 . 1 1 69 69 LYS CA C 13 59.70 0.31 . 1 . . . . 69 LYS CA . 18773 1 325 . 1 1 69 69 LYS CB C 13 32.34 0.31 . 1 . . . . 69 LYS CB . 18773 1 326 . 1 1 69 69 LYS N N 15 118.91 0.14 . 1 . . . . 69 LYS N . 18773 1 327 . 1 1 70 70 VAL H H 1 7.172 0.03 . 1 . . . . 70 VAL H . 18773 1 328 . 1 1 70 70 VAL C C 13 177.77 0.31 . 1 . . . . 70 VAL C . 18773 1 329 . 1 1 70 70 VAL CA C 13 65.36 0.31 . 1 . . . . 70 VAL CA . 18773 1 330 . 1 1 70 70 VAL CB C 13 31.54 0.31 . 1 . . . . 70 VAL CB . 18773 1 331 . 1 1 70 70 VAL N N 15 116.93 0.14 . 1 . . . . 70 VAL N . 18773 1 332 . 1 1 71 71 ALA H H 1 7.156 0.03 . 1 . . . . 71 ALA H . 18773 1 333 . 1 1 71 71 ALA C C 13 180.75 0.31 . 1 . . . . 71 ALA C . 18773 1 334 . 1 1 71 71 ALA CA C 13 54.86 0.31 . 1 . . . . 71 ALA CA . 18773 1 335 . 1 1 71 71 ALA CB C 13 17.89 0.31 . 1 . . . . 71 ALA CB . 18773 1 336 . 1 1 71 71 ALA N N 15 121.17 0.14 . 1 . . . . 71 ALA N . 18773 1 337 . 1 1 72 72 LEU H H 1 7.592 0.03 . 1 . . . . 72 LEU H . 18773 1 338 . 1 1 72 72 LEU C C 13 175.98 0.31 . 1 . . . . 72 LEU C . 18773 1 339 . 1 1 72 72 LEU CA C 13 56.55 0.31 . 1 . . . . 72 LEU CA . 18773 1 340 . 1 1 72 72 LEU CB C 13 41.35 0.31 . 1 . . . . 72 LEU CB . 18773 1 341 . 1 1 72 72 LEU N N 15 118.20 0.14 . 1 . . . . 72 LEU N . 18773 1 342 . 1 1 73 73 GLU H H 1 7.702 0.03 . 1 . . . . 73 GLU H . 18773 1 343 . 1 1 73 73 GLU C C 13 179.34 0.31 . 1 . . . . 73 GLU C . 18773 1 344 . 1 1 73 73 GLU CA C 13 59.35 0.31 . 1 . . . . 73 GLU CA . 18773 1 345 . 1 1 73 73 GLU CB C 13 29.12 0.31 . 1 . . . . 73 GLU CB . 18773 1 346 . 1 1 73 73 GLU N N 15 116.36 0.14 . 1 . . . . 73 GLU N . 18773 1 347 . 1 1 74 74 LYS H H 1 7.592 0.03 . 1 . . . . 74 LYS H . 18773 1 348 . 1 1 74 74 LYS C C 13 178.47 0.31 . 1 . . . . 74 LYS C . 18773 1 349 . 1 1 74 74 LYS CA C 13 59.16 0.31 . 1 . . . . 74 LYS CA . 18773 1 350 . 1 1 74 74 LYS CB C 13 32.50 0.31 . 1 . . . . 74 LYS CB . 18773 1 351 . 1 1 74 74 LYS N N 15 117.35 0.14 . 1 . . . . 74 LYS N . 18773 1 352 . 1 1 75 75 ILE H H 1 7.183 0.03 . 1 . . . . 75 ILE H . 18773 1 353 . 1 1 75 75 ILE C C 13 176.51 0.31 . 1 . . . . 75 ILE C . 18773 1 354 . 1 1 75 75 ILE CA C 13 60.63 0.31 . 1 . . . . 75 ILE CA . 18773 1 355 . 1 1 75 75 ILE CB C 13 37.76 0.31 . 1 . . . . 75 ILE CB . 18773 1 356 . 1 1 75 75 ILE N N 15 118.62 0.14 . 1 . . . . 75 ILE N . 18773 1 357 . 1 1 76 76 TYR H H 1 7.756 0.03 . 1 . . . . 76 TYR H . 18773 1 358 . 1 1 76 76 TYR C C 13 177.14 0.31 . 1 . . . . 76 TYR C . 18773 1 359 . 1 1 76 76 TYR CA C 13 56.89 0.31 . 1 . . . . 76 TYR CA . 18773 1 360 . 1 1 76 76 TYR CB C 13 34.40 0.31 . 1 . . . . 76 TYR CB . 18773 1 361 . 1 1 76 76 TYR N N 15 122.30 0.14 . 1 . . . . 76 TYR N . 18773 1 362 . 1 1 77 77 LYS H H 1 7.264 0.03 . 1 . . . . 77 LYS H . 18773 1 363 . 1 1 77 77 LYS C C 13 178.54 0.31 . 1 . . . . 77 LYS C . 18773 1 364 . 1 1 77 77 LYS CA C 13 59.09 0.31 . 1 . . . . 77 LYS CA . 18773 1 365 . 1 1 77 77 LYS CB C 13 31.90 0.31 . 1 . . . . 77 LYS CB . 18773 1 366 . 1 1 77 77 LYS N N 15 117.78 0.14 . 1 . . . . 77 LYS N . 18773 1 367 . 1 1 78 78 GLU H H 1 7.592 0.03 . 1 . . . . 78 GLU H . 18773 1 368 . 1 1 78 78 GLU C C 13 179.24 0.31 . 1 . . . . 78 GLU C . 18773 1 369 . 1 1 78 78 GLU CA C 13 59.57 0.31 . 1 . . . . 78 GLU CA . 18773 1 370 . 1 1 78 78 GLU CB C 13 29.88 0.31 . 1 . . . . 78 GLU CB . 18773 1 371 . 1 1 78 78 GLU N N 15 118.20 0.14 . 1 . . . . 78 GLU N . 18773 1 372 . 1 1 79 79 ILE H H 1 7.784 0.03 . 1 . . . . 79 ILE H . 18773 1 373 . 1 1 79 79 ILE C C 13 176.99 0.31 . 1 . . . . 79 ILE C . 18773 1 374 . 1 1 79 79 ILE CA C 13 65.34 0.31 . 1 . . . . 79 ILE CA . 18773 1 375 . 1 1 79 79 ILE CB C 13 37.45 0.31 . 1 . . . . 79 ILE CB . 18773 1 376 . 1 1 79 79 ILE N N 15 119.19 0.14 . 1 . . . . 79 ILE N . 18773 1 377 . 1 1 80 80 ASP H H 1 8.467 0.03 . 1 . . . . 80 ASP H . 18773 1 378 . 1 1 80 80 ASP C C 13 178.17 0.31 . 1 . . . . 80 ASP C . 18773 1 379 . 1 1 80 80 ASP CA C 13 57.53 0.31 . 1 . . . . 80 ASP CA . 18773 1 380 . 1 1 80 80 ASP CB C 13 39.97 0.31 . 1 . . . . 80 ASP CB . 18773 1 381 . 1 1 80 80 ASP N N 15 120.32 0.14 . 1 . . . . 80 ASP N . 18773 1 382 . 1 1 81 81 GLU H H 1 7.455 0.03 . 1 . . . . 81 GLU H . 18773 1 383 . 1 1 81 81 GLU C C 13 178.00 0.31 . 1 . . . . 81 GLU C . 18773 1 384 . 1 1 81 81 GLU CA C 13 58.45 0.31 . 1 . . . . 81 GLU CA . 18773 1 385 . 1 1 81 81 GLU CB C 13 29.41 0.31 . 1 . . . . 81 GLU CB . 18773 1 386 . 1 1 81 81 GLU N N 15 115.94 0.14 . 1 . . . . 81 GLU N . 18773 1 387 . 1 1 82 82 ILE H H 1 7.237 0.03 . 1 . . . . 82 ILE H . 18773 1 388 . 1 1 82 82 ILE C C 13 177.84 0.31 . 1 . . . . 82 ILE C . 18773 1 389 . 1 1 82 82 ILE CA C 13 63.44 0.31 . 1 . . . . 82 ILE CA . 18773 1 390 . 1 1 82 82 ILE CB C 13 38.60 0.31 . 1 . . . . 82 ILE CB . 18773 1 391 . 1 1 82 82 ILE N N 15 118.34 0.14 . 1 . . . . 82 ILE N . 18773 1 392 . 1 1 83 83 ILE H H 1 7.729 0.03 . 1 . . . . 83 ILE H . 18773 1 393 . 1 1 83 83 ILE C C 13 176.29 0.31 . 1 . . . . 83 ILE C . 18773 1 394 . 1 1 83 83 ILE CA C 13 62.19 0.31 . 1 . . . . 83 ILE CA . 18773 1 395 . 1 1 83 83 ILE CB C 13 37.24 0.31 . 1 . . . . 83 ILE CB . 18773 1 396 . 1 1 83 83 ILE N N 15 116.64 0.14 . 1 . . . . 83 ILE N . 18773 1 397 . 1 1 84 84 ASN H H 1 7.456 0.03 . 1 . . . . 84 ASN H . 18773 1 398 . 1 1 84 84 ASN C C 13 173.74 0.31 . 1 . . . . 84 ASN C . 18773 1 399 . 1 1 84 84 ASN CA C 13 53.11 0.31 . 1 . . . . 84 ASN CA . 18773 1 400 . 1 1 84 84 ASN CB C 13 38.45 0.31 . 1 . . . . 84 ASN CB . 18773 1 401 . 1 1 84 84 ASN N N 15 119.19 0.14 . 1 . . . . 84 ASN N . 18773 1 402 . 1 1 85 85 ARG H H 1 6.992 0.03 . 1 . . . . 85 ARG H . 18773 1 403 . 1 1 85 85 ARG C C 13 180.59 0.31 . 1 . . . . 85 ARG C . 18773 1 404 . 1 1 85 85 ARG CA C 13 57.61 0.31 . 1 . . . . 85 ARG CA . 18773 1 405 . 1 1 85 85 ARG CB C 13 30.95 0.31 . 1 . . . . 85 ARG CB . 18773 1 406 . 1 1 85 85 ARG N N 15 125.27 0.14 . 1 . . . . 85 ARG N . 18773 1 stop_ save_