################################### # 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 27111 _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 . _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' . . . 27111 1 2 '3D CBCA(CO)NH' . . . 27111 1 3 '3D HNCO' . . . 27111 1 4 '3D HNCA' . . . 27111 1 5 '3D HNCACB' . . . 27111 1 6 '3D HN(CO)CA' . . . 27111 1 7 '3D HN(CA)CO' . . . 27111 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 8 8 SER C C 13 174.63 0.1 . 1 . . . . . 4 SER C . 27111 1 2 . 1 . 1 8 8 SER CA C 13 58.47 0.5 . 1 . . . . . 4 SER CA . 27111 1 3 . 1 . 1 9 9 THR H H 1 8.28 0.03 . 1 . . . . . 5 THR H . 27111 1 4 . 1 . 1 9 9 THR C C 13 174.57 0.1 . 1 . . . . . 5 THR C . 27111 1 5 . 1 . 1 9 9 THR CA C 13 61.89 0.5 . 1 . . . . . 5 THR CA . 27111 1 6 . 1 . 1 9 9 THR N N 15 115.61 0.25 . 1 . . . . . 5 THR N . 27111 1 7 . 1 . 1 10 10 SER H H 1 8.30 0.03 . 1 . . . . . 6 SER H . 27111 1 8 . 1 . 1 10 10 SER C C 13 174.52 0.1 . 1 . . . . . 6 SER C . 27111 1 9 . 1 . 1 10 10 SER CA C 13 58.41 0.5 . 1 . . . . . 6 SER CA . 27111 1 10 . 1 . 1 10 10 SER N N 15 117.99 0.25 . 1 . . . . . 6 SER N . 27111 1 11 . 1 . 1 11 11 VAL H H 1 8.07 0.03 . 1 . . . . . 7 VAL H . 27111 1 12 . 1 . 1 11 11 VAL C C 13 175.57 0.1 . 1 . . . . . 7 VAL C . 27111 1 13 . 1 . 1 11 11 VAL CA C 13 62.22 0.5 . 1 . . . . . 7 VAL CA . 27111 1 14 . 1 . 1 11 11 VAL N N 15 121.14 0.25 . 1 . . . . . 7 VAL N . 27111 1 15 . 1 . 1 12 12 ASP H H 1 8.32 0.03 . 1 . . . . . 8 ASP H . 27111 1 16 . 1 . 1 12 12 ASP C C 13 176.20 0.1 . 1 . . . . . 8 ASP C . 27111 1 17 . 1 . 1 12 12 ASP CA C 13 55.60 0.5 . 1 . . . . . 8 ASP CA . 27111 1 18 . 1 . 1 12 12 ASP N N 15 123.66 0.25 . 1 . . . . . 8 ASP N . 27111 1 19 . 1 . 1 13 13 LEU H H 1 8.32 0.03 . 1 . . . . . 9 LEU H . 27111 1 20 . 1 . 1 13 13 LEU C C 13 178.13 0.1 . 1 . . . . . 9 LEU C . 27111 1 21 . 1 . 1 13 13 LEU CA C 13 55.53 0.5 . 1 . . . . . 9 LEU CA . 27111 1 22 . 1 . 1 13 13 LEU N N 15 123.64 0.25 . 1 . . . . . 9 LEU N . 27111 1 23 . 1 . 1 14 14 GLY H H 1 8.51 0.03 . 1 . . . . . 10 GLY H . 27111 1 24 . 1 . 1 14 14 GLY C C 13 174.90 0.1 . 1 . . . . . 10 GLY C . 27111 1 25 . 1 . 1 14 14 GLY CA C 13 45.72 0.5 . 1 . . . . . 10 GLY CA . 27111 1 26 . 1 . 1 14 14 GLY N N 15 109.06 0.25 . 1 . . . . . 10 GLY N . 27111 1 27 . 1 . 1 15 15 THR H H 1 7.97 0.03 . 1 . . . . . 11 THR H . 27111 1 28 . 1 . 1 15 15 THR C C 13 175.11 0.1 . 1 . . . . . 11 THR C . 27111 1 29 . 1 . 1 15 15 THR CA C 13 62.45 0.5 . 1 . . . . . 11 THR CA . 27111 1 30 . 1 . 1 15 15 THR N N 15 113.03 0.25 . 1 . . . . . 11 THR N . 27111 1 31 . 1 . 1 16 16 GLU H H 1 8.52 0.03 . 1 . . . . . 12 GLU H . 27111 1 32 . 1 . 1 16 16 GLU C C 13 176.47 0.1 . 1 . . . . . 12 GLU C . 27111 1 33 . 1 . 1 16 16 GLU CA C 13 57.50 0.5 . 1 . . . . . 12 GLU CA . 27111 1 34 . 1 . 1 16 16 GLU N N 15 122.51 0.25 . 1 . . . . . 12 GLU N . 27111 1 35 . 1 . 1 17 17 ASN H H 1 8.33 0.03 . 1 . . . . . 13 ASN H . 27111 1 36 . 1 . 1 17 17 ASN C C 13 175.53 0.1 . 1 . . . . . 13 ASN C . 27111 1 37 . 1 . 1 17 17 ASN CA C 13 53.84 0.5 . 1 . . . . . 13 ASN CA . 27111 1 38 . 1 . 1 17 17 ASN N N 15 118.57 0.25 . 1 . . . . . 13 ASN N . 27111 1 39 . 1 . 1 18 18 LEU H H 1 8.00 0.03 . 1 . . . . . 14 LEU H . 27111 1 40 . 1 . 1 18 18 LEU C C 13 177.43 0.1 . 1 . . . . . 14 LEU C . 27111 1 41 . 1 . 1 18 18 LEU CA C 13 56.00 0.5 . 1 . . . . . 14 LEU CA . 27111 1 42 . 1 . 1 18 18 LEU N N 15 121.78 0.25 . 1 . . . . . 14 LEU N . 27111 1 43 . 1 . 1 19 19 TYR H H 1 7.96 0.03 . 1 . . . . . 15 TYR H . 27111 1 44 . 1 . 1 19 19 TYR C C 13 176.00 0.1 . 1 . . . . . 15 TYR C . 27111 1 45 . 1 . 1 19 19 TYR CA C 13 58.59 0.5 . 1 . . . . . 15 TYR CA . 27111 1 46 . 1 . 1 19 19 TYR N N 15 119.16 0.25 . 1 . . . . . 15 TYR N . 27111 1 47 . 1 . 1 20 20 PHE H H 1 7.88 0.03 . 1 . . . . . 16 PHE H . 27111 1 48 . 1 . 1 20 20 PHE C C 13 175.81 0.1 . 1 . . . . . 16 PHE C . 27111 1 49 . 1 . 1 20 20 PHE CA C 13 58.22 0.5 . 1 . . . . . 16 PHE CA . 27111 1 50 . 1 . 1 20 20 PHE N N 15 119.78 0.25 . 1 . . . . . 16 PHE N . 27111 1 51 . 1 . 1 21 21 GLN H H 1 8.11 0.03 . 1 . . . . . 17 GLN H . 27111 1 52 . 1 . 1 21 21 GLN C C 13 176.28 0.1 . 1 . . . . . 17 GLN C . 27111 1 53 . 1 . 1 21 21 GLN CA C 13 56.43 0.5 . 1 . . . . . 17 GLN CA . 27111 1 54 . 1 . 1 21 21 GLN N N 15 120.80 0.25 . 1 . . . . . 17 GLN N . 27111 1 55 . 1 . 1 22 22 SER C C 13 174.58 0.1 . 1 . . . . . 18 SER C . 27111 1 56 . 1 . 1 22 22 SER CA C 13 58.99 0.5 . 1 . . . . . 18 SER CA . 27111 1 57 . 1 . 1 23 23 ASN H H 1 8.19 0.03 . 1 . . . . . 19 ASN H . 27111 1 58 . 1 . 1 23 23 ASN C C 13 175.28 0.1 . 1 . . . . . 19 ASN C . 27111 1 59 . 1 . 1 23 23 ASN CA C 13 53.46 0.5 . 1 . . . . . 19 ASN CA . 27111 1 60 . 1 . 1 23 23 ASN N N 15 119.93 0.25 . 1 . . . . . 19 ASN N . 27111 1 61 . 1 . 1 24 24 ALA H H 1 8.21 0.03 . 1 . . . . . 20 ALA H . 27111 1 62 . 1 . 1 24 24 ALA C C 13 178.07 0.1 . 1 . . . . . 20 ALA C . 27111 1 63 . 1 . 1 24 24 ALA CA C 13 54.02 0.5 . 1 . . . . . 20 ALA CA . 27111 1 64 . 1 . 1 24 24 ALA N N 15 124.18 0.25 . 1 . . . . . 20 ALA N . 27111 1 65 . 1 . 1 25 25 GLY H H 1 8.85 0.03 . 1 . . . . . 21 GLY H . 27111 1 66 . 1 . 1 25 25 GLY C C 13 172.74 0.1 . 1 . . . . . 21 GLY C . 27111 1 67 . 1 . 1 25 25 GLY CA C 13 45.25 0.5 . 1 . . . . . 21 GLY CA . 27111 1 68 . 1 . 1 25 25 GLY N N 15 106.27 0.25 . 1 . . . . . 21 GLY N . 27111 1 69 . 1 . 1 26 26 LYS H H 1 7.67 0.03 . 1 . . . . . 22 LYS H . 27111 1 70 . 1 . 1 26 26 LYS C C 13 175.71 0.1 . 1 . . . . . 22 LYS C . 27111 1 71 . 1 . 1 26 26 LYS CA C 13 56.39 0.5 . 1 . . . . . 22 LYS CA . 27111 1 72 . 1 . 1 26 26 LYS N N 15 121.31 0.25 . 1 . . . . . 22 LYS N . 27111 1 73 . 1 . 1 27 27 MET H H 1 9.54 0.03 . 1 . . . . . 23 MET H . 27111 1 74 . 1 . 1 27 27 MET C C 13 174.53 0.1 . 1 . . . . . 23 MET C . 27111 1 75 . 1 . 1 27 27 MET CA C 13 55.50 0.5 . 1 . . . . . 23 MET CA . 27111 1 76 . 1 . 1 27 27 MET N N 15 123.59 0.25 . 1 . . . . . 23 MET N . 27111 1 77 . 1 . 1 28 28 PHE H H 1 8.80 0.03 . 1 . . . . . 24 PHE H . 27111 1 78 . 1 . 1 28 28 PHE C C 13 173.51 0.1 . 1 . . . . . 24 PHE C . 27111 1 79 . 1 . 1 28 28 PHE CA C 13 55.26 0.5 . 1 . . . . . 24 PHE CA . 27111 1 80 . 1 . 1 28 28 PHE N N 15 124.50 0.25 . 1 . . . . . 24 PHE N . 27111 1 81 . 1 . 1 29 29 ILE H H 1 8.37 0.03 . 1 . . . . . 25 ILE H . 27111 1 82 . 1 . 1 29 29 ILE C C 13 174.00 0.1 . 1 . . . . . 25 ILE C . 27111 1 83 . 1 . 1 29 29 ILE CA C 13 58.89 0.5 . 1 . . . . . 25 ILE CA . 27111 1 84 . 1 . 1 29 29 ILE N N 15 126.31 0.25 . 1 . . . . . 25 ILE N . 27111 1 85 . 1 . 1 30 30 GLY H H 1 7.77 0.03 . 1 . . . . . 26 GLY H . 27111 1 86 . 1 . 1 30 30 GLY C C 13 174.38 0.1 . 1 . . . . . 26 GLY C . 27111 1 87 . 1 . 1 30 30 GLY CA C 13 43.83 0.5 . 1 . . . . . 26 GLY CA . 27111 1 88 . 1 . 1 30 30 GLY N N 15 112.65 0.25 . 1 . . . . . 26 GLY N . 27111 1 89 . 1 . 1 31 31 GLY H H 1 8.57 0.03 . 1 . . . . . 27 GLY H . 27111 1 90 . 1 . 1 31 31 GLY C C 13 174.81 0.1 . 1 . . . . . 27 GLY C . 27111 1 91 . 1 . 1 31 31 GLY CA C 13 46.65 0.5 . 1 . . . . . 27 GLY CA . 27111 1 92 . 1 . 1 31 31 GLY N N 15 107.36 0.25 . 1 . . . . . 27 GLY N . 27111 1 93 . 1 . 1 32 32 LEU H H 1 7.53 0.03 . 1 . . . . . 28 LEU H . 27111 1 94 . 1 . 1 32 32 LEU C C 13 178.92 0.1 . 1 . . . . . 28 LEU C . 27111 1 95 . 1 . 1 32 32 LEU CA C 13 54.23 0.5 . 1 . . . . . 28 LEU CA . 27111 1 96 . 1 . 1 32 32 LEU N N 15 114.44 0.25 . 1 . . . . . 28 LEU N . 27111 1 97 . 1 . 1 33 33 SER H H 1 9.18 0.03 . 1 . . . . . 29 SER H . 27111 1 98 . 1 . 1 33 33 SER C C 13 177.41 0.1 . 1 . . . . . 29 SER C . 27111 1 99 . 1 . 1 33 33 SER CA C 13 57.81 0.5 . 1 . . . . . 29 SER CA . 27111 1 100 . 1 . 1 33 33 SER N N 15 115.83 0.25 . 1 . . . . . 29 SER N . 27111 1 101 . 1 . 1 34 34 TRP H H 1 8.50 0.03 . 1 . . . . . 30 TRP H . 27111 1 102 . 1 . 1 34 34 TRP C C 13 176.32 0.1 . 1 . . . . . 30 TRP C . 27111 1 103 . 1 . 1 34 34 TRP CA C 13 59.10 0.5 . 1 . . . . . 30 TRP CA . 27111 1 104 . 1 . 1 34 34 TRP N N 15 128.47 0.25 . 1 . . . . . 30 TRP N . 27111 1 105 . 1 . 1 35 35 GLN H H 1 7.73 0.03 . 1 . . . . . 31 GLN H . 27111 1 106 . 1 . 1 35 35 GLN C C 13 176.79 0.1 . 1 . . . . . 31 GLN C . 27111 1 107 . 1 . 1 35 35 GLN CA C 13 56.07 0.5 . 1 . . . . . 31 GLN CA . 27111 1 108 . 1 . 1 35 35 GLN N N 15 116.42 0.25 . 1 . . . . . 31 GLN N . 27111 1 109 . 1 . 1 36 36 THR H H 1 7.38 0.03 . 1 . . . . . 32 THR H . 27111 1 110 . 1 . 1 36 36 THR C C 13 173.28 0.1 . 1 . . . . . 32 THR C . 27111 1 111 . 1 . 1 36 36 THR CA C 13 64.94 0.5 . 1 . . . . . 32 THR CA . 27111 1 112 . 1 . 1 36 36 THR N N 15 118.99 0.25 . 1 . . . . . 32 THR N . 27111 1 113 . 1 . 1 37 37 SER H H 1 8.33 0.03 . 1 . . . . . 33 SER H . 27111 1 114 . 1 . 1 37 37 SER C C 13 176.40 0.1 . 1 . . . . . 33 SER C . 27111 1 115 . 1 . 1 37 37 SER CA C 13 56.56 0.5 . 1 . . . . . 33 SER CA . 27111 1 116 . 1 . 1 37 37 SER N N 15 125.43 0.25 . 1 . . . . . 33 SER N . 27111 1 117 . 1 . 1 38 38 PRO C C 13 177.66 0.1 . 1 . . . . . 34 PRO C . 27111 1 118 . 1 . 1 38 38 PRO CA C 13 65.86 0.5 . 1 . . . . . 34 PRO CA . 27111 1 119 . 1 . 1 39 39 ASP H H 1 7.83 0.03 . 1 . . . . . 35 ASP H . 27111 1 120 . 1 . 1 39 39 ASP C C 13 177.68 0.1 . 1 . . . . . 35 ASP C . 27111 1 121 . 1 . 1 39 39 ASP CA C 13 57.40 0.5 . 1 . . . . . 35 ASP CA . 27111 1 122 . 1 . 1 39 39 ASP N N 15 115.67 0.25 . 1 . . . . . 35 ASP N . 27111 1 123 . 1 . 1 40 40 SER H H 1 7.98 0.03 . 1 . . . . . 36 SER H . 27111 1 124 . 1 . 1 40 40 SER C C 13 177.68 0.1 . 1 . . . . . 36 SER C . 27111 1 125 . 1 . 1 40 40 SER CA C 13 61.14 0.5 . 1 . . . . . 36 SER CA . 27111 1 126 . 1 . 1 40 40 SER N N 15 117.72 0.25 . 1 . . . . . 36 SER N . 27111 1 127 . 1 . 1 41 41 LEU H H 1 8.05 0.03 . 1 . . . . . 37 LEU H . 27111 1 128 . 1 . 1 41 41 LEU C C 13 177.88 0.1 . 1 . . . . . 37 LEU C . 27111 1 129 . 1 . 1 41 41 LEU CA C 13 58.21 0.5 . 1 . . . . . 37 LEU CA . 27111 1 130 . 1 . 1 41 41 LEU N N 15 122.91 0.25 . 1 . . . . . 37 LEU N . 27111 1 131 . 1 . 1 42 42 ARG H H 1 8.43 0.03 . 1 . . . . . 38 ARG H . 27111 1 132 . 1 . 1 42 42 ARG C C 13 178.94 0.1 . 1 . . . . . 38 ARG C . 27111 1 133 . 1 . 1 42 42 ARG CA C 13 59.78 0.5 . 1 . . . . . 38 ARG CA . 27111 1 134 . 1 . 1 42 42 ARG N N 15 120.40 0.25 . 1 . . . . . 38 ARG N . 27111 1 135 . 1 . 1 43 43 ASP H H 1 8.44 0.03 . 1 . . . . . 39 ASP H . 27111 1 136 . 1 . 1 43 43 ASP C C 13 178.41 0.1 . 1 . . . . . 39 ASP C . 27111 1 137 . 1 . 1 43 43 ASP CA C 13 57.65 0.5 . 1 . . . . . 39 ASP CA . 27111 1 138 . 1 . 1 43 43 ASP N N 15 120.12 0.25 . 1 . . . . . 39 ASP N . 27111 1 139 . 1 . 1 44 44 TYR H H 1 7.82 0.03 . 1 . . . . . 40 TYR H . 27111 1 140 . 1 . 1 44 44 TYR C C 13 177.72 0.1 . 1 . . . . . 40 TYR C . 27111 1 141 . 1 . 1 44 44 TYR CA C 13 62.06 0.5 . 1 . . . . . 40 TYR CA . 27111 1 142 . 1 . 1 44 44 TYR N N 15 118.55 0.25 . 1 . . . . . 40 TYR N . 27111 1 143 . 1 . 1 45 45 PHE H H 1 8.50 0.03 . 1 . . . . . 41 PHE H . 27111 1 144 . 1 . 1 45 45 PHE C C 13 177.80 0.1 . 1 . . . . . 41 PHE C . 27111 1 145 . 1 . 1 45 45 PHE CA C 13 63.48 0.5 . 1 . . . . . 41 PHE CA . 27111 1 146 . 1 . 1 45 45 PHE N N 15 113.54 0.25 . 1 . . . . . 41 PHE N . 27111 1 147 . 1 . 1 46 46 SER H H 1 8.71 0.03 . 1 . . . . . 42 SER H . 27111 1 148 . 1 . 1 46 46 SER C C 13 175.78 0.1 . 1 . . . . . 42 SER C . 27111 1 149 . 1 . 1 46 46 SER CA C 13 61.32 0.5 . 1 . . . . . 42 SER CA . 27111 1 150 . 1 . 1 46 46 SER N N 15 117.43 0.25 . 1 . . . . . 42 SER N . 27111 1 151 . 1 . 1 47 47 LYS H H 1 7.11 0.03 . 1 . . . . . 43 LYS H . 27111 1 152 . 1 . 1 47 47 LYS C C 13 177.32 0.1 . 1 . . . . . 43 LYS C . 27111 1 153 . 1 . 1 47 47 LYS CA C 13 58.01 0.5 . 1 . . . . . 43 LYS CA . 27111 1 154 . 1 . 1 47 47 LYS N N 15 119.99 0.25 . 1 . . . . . 43 LYS N . 27111 1 155 . 1 . 1 48 48 PHE H H 1 8.05 0.03 . 1 . . . . . 44 PHE H . 27111 1 156 . 1 . 1 48 48 PHE C C 13 174.83 0.1 . 1 . . . . . 44 PHE C . 27111 1 157 . 1 . 1 48 48 PHE CA C 13 58.40 0.5 . 1 . . . . . 44 PHE CA . 27111 1 158 . 1 . 1 48 48 PHE N N 15 116.36 0.25 . 1 . . . . . 44 PHE N . 27111 1 159 . 1 . 1 49 49 GLY H H 1 7.45 0.03 . 1 . . . . . 45 GLY H . 27111 1 160 . 1 . 1 49 49 GLY C C 13 170.51 0.1 . 1 . . . . . 45 GLY C . 27111 1 161 . 1 . 1 49 49 GLY CA C 13 44.69 0.5 . 1 . . . . . 45 GLY CA . 27111 1 162 . 1 . 1 49 49 GLY N N 15 106.73 0.25 . 1 . . . . . 45 GLY N . 27111 1 163 . 1 . 1 50 50 GLU H H 1 8.06 0.03 . 1 . . . . . 46 GLU H . 27111 1 164 . 1 . 1 50 50 GLU C C 13 177.67 0.1 . 1 . . . . . 46 GLU C . 27111 1 165 . 1 . 1 50 50 GLU CA C 13 57.06 0.5 . 1 . . . . . 46 GLU CA . 27111 1 166 . 1 . 1 50 50 GLU N N 15 117.25 0.25 . 1 . . . . . 46 GLU N . 27111 1 167 . 1 . 1 51 51 ILE H H 1 9.12 0.03 . 1 . . . . . 47 ILE H . 27111 1 168 . 1 . 1 51 51 ILE C C 13 175.84 0.1 . 1 . . . . . 47 ILE C . 27111 1 169 . 1 . 1 51 51 ILE CA C 13 60.60 0.5 . 1 . . . . . 47 ILE CA . 27111 1 170 . 1 . 1 51 51 ILE N N 15 128.72 0.25 . 1 . . . . . 47 ILE N . 27111 1 171 . 1 . 1 52 52 ARG H H 1 9.02 0.03 . 1 . . . . . 48 ARG H . 27111 1 172 . 1 . 1 52 52 ARG C C 13 175.74 0.1 . 1 . . . . . 48 ARG C . 27111 1 173 . 1 . 1 52 52 ARG CA C 13 56.81 0.5 . 1 . . . . . 48 ARG CA . 27111 1 174 . 1 . 1 52 52 ARG N N 15 126.51 0.25 . 1 . . . . . 48 ARG N . 27111 1 175 . 1 . 1 53 53 GLU H H 1 7.46 0.03 . 1 . . . . . 49 GLU H . 27111 1 176 . 1 . 1 53 53 GLU C C 13 174.06 0.1 . 1 . . . . . 49 GLU C . 27111 1 177 . 1 . 1 53 53 GLU CA C 13 55.42 0.5 . 1 . . . . . 49 GLU CA . 27111 1 178 . 1 . 1 53 53 GLU N N 15 116.12 0.25 . 1 . . . . . 49 GLU N . 27111 1 179 . 1 . 1 54 54 CYS H H 1 8.77 0.03 . 1 . . . . . 50 CYS H . 27111 1 180 . 1 . 1 54 54 CYS C C 13 172.00 0.1 . 1 . . . . . 50 CYS C . 27111 1 181 . 1 . 1 54 54 CYS CA C 13 58.05 0.5 . 1 . . . . . 50 CYS CA . 27111 1 182 . 1 . 1 54 54 CYS N N 15 122.09 0.25 . 1 . . . . . 50 CYS N . 27111 1 183 . 1 . 1 55 55 MET H H 1 8.73 0.03 . 1 . . . . . 51 MET H . 27111 1 184 . 1 . 1 55 55 MET C C 13 173.45 0.1 . 1 . . . . . 51 MET C . 27111 1 185 . 1 . 1 55 55 MET CA C 13 54.66 0.5 . 1 . . . . . 51 MET CA . 27111 1 186 . 1 . 1 55 55 MET N N 15 122.75 0.25 . 1 . . . . . 51 MET N . 27111 1 187 . 1 . 1 56 56 VAL H H 1 8.28 0.03 . 1 . . . . . 52 VAL H . 27111 1 188 . 1 . 1 56 56 VAL C C 13 175.23 0.1 . 1 . . . . . 52 VAL C . 27111 1 189 . 1 . 1 56 56 VAL CA C 13 62.35 0.5 . 1 . . . . . 52 VAL CA . 27111 1 190 . 1 . 1 56 56 VAL N N 15 121.15 0.25 . 1 . . . . . 52 VAL N . 27111 1 191 . 1 . 1 57 57 MET H H 1 8.28 0.03 . 1 . . . . . 53 MET H . 27111 1 192 . 1 . 1 57 57 MET C C 13 175.13 0.1 . 1 . . . . . 53 MET C . 27111 1 193 . 1 . 1 57 57 MET CA C 13 54.83 0.5 . 1 . . . . . 53 MET CA . 27111 1 194 . 1 . 1 57 57 MET N N 15 125.88 0.25 . 1 . . . . . 53 MET N . 27111 1 195 . 1 . 1 58 58 ARG H H 1 8.53 0.03 . 1 . . . . . 54 ARG H . 27111 1 196 . 1 . 1 58 58 ARG C C 13 175.68 0.1 . 1 . . . . . 54 ARG C . 27111 1 197 . 1 . 1 58 58 ARG CA C 13 54.33 0.5 . 1 . . . . . 54 ARG CA . 27111 1 198 . 1 . 1 58 58 ARG N N 15 121.68 0.25 . 1 . . . . . 54 ARG N . 27111 1 199 . 1 . 1 59 59 ASP H H 1 8.66 0.03 . 1 . . . . . 55 ASP H . 27111 1 200 . 1 . 1 59 59 ASP C C 13 175.95 0.1 . 1 . . . . . 55 ASP C . 27111 1 201 . 1 . 1 59 59 ASP CA C 13 51.99 0.5 . 1 . . . . . 55 ASP CA . 27111 1 202 . 1 . 1 59 59 ASP N N 15 125.06 0.25 . 1 . . . . . 55 ASP N . 27111 1 203 . 1 . 1 60 60 PRO C C 13 177.57 0.1 . 1 . . . . . 58 PRO C . 27111 1 204 . 1 . 1 60 60 PRO CA C 13 64.66 0.5 . 1 . . . . . 58 PRO CA . 27111 1 205 . 1 . 1 61 61 THR H H 1 8.42 0.03 . 1 . . . . . 57 THR H . 27111 1 206 . 1 . 1 61 61 THR C C 13 176.01 0.1 . 1 . . . . . 57 THR C . 27111 1 207 . 1 . 1 61 61 THR CA C 13 64.94 0.5 . 1 . . . . . 57 THR CA . 27111 1 208 . 1 . 1 61 61 THR N N 15 113.64 0.25 . 1 . . . . . 57 THR N . 27111 1 209 . 1 . 1 62 62 THR H H 1 8.19 0.03 . 1 . . . . . 58 THR H . 27111 1 210 . 1 . 1 62 62 THR C C 13 176.20 0.1 . 1 . . . . . 58 THR C . 27111 1 211 . 1 . 1 62 62 THR CA C 13 62.07 0.5 . 1 . . . . . 58 THR CA . 27111 1 212 . 1 . 1 62 62 THR N N 15 111.37 0.25 . 1 . . . . . 58 THR N . 27111 1 213 . 1 . 1 63 63 LYS H H 1 8.15 0.03 . 1 . . . . . 59 LYS H . 27111 1 214 . 1 . 1 63 63 LYS C C 13 175.39 0.1 . 1 . . . . . 59 LYS C . 27111 1 215 . 1 . 1 63 63 LYS CA C 13 57.81 0.5 . 1 . . . . . 59 LYS CA . 27111 1 216 . 1 . 1 63 63 LYS N N 15 115.43 0.25 . 1 . . . . . 59 LYS N . 27111 1 217 . 1 . 1 64 64 ARG H H 1 7.90 0.03 . 1 . . . . . 60 ARG H . 27111 1 218 . 1 . 1 64 64 ARG C C 13 175.56 0.1 . 1 . . . . . 60 ARG C . 27111 1 219 . 1 . 1 64 64 ARG CA C 13 55.99 0.5 . 1 . . . . . 60 ARG CA . 27111 1 220 . 1 . 1 64 64 ARG N N 15 119.77 0.25 . 1 . . . . . 60 ARG N . 27111 1 221 . 1 . 1 65 65 SER H H 1 8.92 0.03 . 1 . . . . . 61 SER H . 27111 1 222 . 1 . 1 65 65 SER C C 13 176.28 0.1 . 1 . . . . . 61 SER C . 27111 1 223 . 1 . 1 65 65 SER CA C 13 58.64 0.5 . 1 . . . . . 61 SER CA . 27111 1 224 . 1 . 1 65 65 SER N N 15 116.93 0.25 . 1 . . . . . 61 SER N . 27111 1 225 . 1 . 1 66 66 ARG H H 1 9.04 0.03 . 1 . . . . . 62 ARG H . 27111 1 226 . 1 . 1 66 66 ARG C C 13 177.24 0.1 . 1 . . . . . 62 ARG C . 27111 1 227 . 1 . 1 66 66 ARG CA C 13 56.11 0.5 . 1 . . . . . 62 ARG CA . 27111 1 228 . 1 . 1 66 66 ARG N N 15 124.31 0.25 . 1 . . . . . 62 ARG N . 27111 1 229 . 1 . 1 67 67 GLY H H 1 9.21 0.03 . 1 . . . . . 63 GLY H . 27111 1 230 . 1 . 1 67 67 GLY C C 13 172.09 0.1 . 1 . . . . . 63 GLY C . 27111 1 231 . 1 . 1 67 67 GLY CA C 13 45.61 0.5 . 1 . . . . . 63 GLY CA . 27111 1 232 . 1 . 1 67 67 GLY N N 15 107.25 0.25 . 1 . . . . . 63 GLY N . 27111 1 233 . 1 . 1 68 68 PHE H H 1 7.09 0.03 . 1 . . . . . 64 PHE H . 27111 1 234 . 1 . 1 68 68 PHE C C 13 172.81 0.1 . 1 . . . . . 64 PHE C . 27111 1 235 . 1 . 1 68 68 PHE CA C 13 54.96 0.5 . 1 . . . . . 64 PHE CA . 27111 1 236 . 1 . 1 68 68 PHE N N 15 112.46 0.25 . 1 . . . . . 64 PHE N . 27111 1 237 . 1 . 1 69 69 GLY H H 1 8.28 0.03 . 1 . . . . . 65 GLY H . 27111 1 238 . 1 . 1 69 69 GLY C C 13 169.99 0.1 . 1 . . . . . 65 GLY C . 27111 1 239 . 1 . 1 69 69 GLY CA C 13 45.00 0.5 . 1 . . . . . 65 GLY CA . 27111 1 240 . 1 . 1 69 69 GLY N N 15 106.56 0.25 . 1 . . . . . 65 GLY N . 27111 1 241 . 1 . 1 70 70 PHE H H 1 8.66 0.03 . 1 . . . . . 66 PHE H . 27111 1 242 . 1 . 1 70 70 PHE C C 13 174.37 0.1 . 1 . . . . . 66 PHE C . 27111 1 243 . 1 . 1 70 70 PHE CA C 13 56.67 0.5 . 1 . . . . . 66 PHE CA . 27111 1 244 . 1 . 1 70 70 PHE N N 15 115.05 0.25 . 1 . . . . . 66 PHE N . 27111 1 245 . 1 . 1 71 71 VAL H H 1 8.39 0.03 . 1 . . . . . 67 VAL H . 27111 1 246 . 1 . 1 71 71 VAL C C 13 173.58 0.1 . 1 . . . . . 67 VAL C . 27111 1 247 . 1 . 1 71 71 VAL CA C 13 60.37 0.5 . 1 . . . . . 67 VAL CA . 27111 1 248 . 1 . 1 71 71 VAL N N 15 118.88 0.25 . 1 . . . . . 67 VAL N . 27111 1 249 . 1 . 1 72 72 THR H H 1 8.70 0.03 . 1 . . . . . 68 THR H . 27111 1 250 . 1 . 1 72 72 THR C C 13 174.43 0.1 . 1 . . . . . 68 THR C . 27111 1 251 . 1 . 1 72 72 THR CA C 13 60.96 0.5 . 1 . . . . . 68 THR CA . 27111 1 252 . 1 . 1 72 72 THR N N 15 121.16 0.25 . 1 . . . . . 68 THR N . 27111 1 253 . 1 . 1 73 73 PHE H H 1 8.98 0.03 . 1 . . . . . 69 PHE H . 27111 1 254 . 1 . 1 73 73 PHE C C 13 175.20 0.1 . 1 . . . . . 69 PHE C . 27111 1 255 . 1 . 1 73 73 PHE CA C 13 58.76 0.5 . 1 . . . . . 69 PHE CA . 27111 1 256 . 1 . 1 73 73 PHE N N 15 127.95 0.25 . 1 . . . . . 69 PHE N . 27111 1 257 . 1 . 1 74 74 ALA H H 1 8.36 0.03 . 1 . . . . . 70 ALA H . 27111 1 258 . 1 . 1 74 74 ALA C C 13 176.36 0.1 . 1 . . . . . 70 ALA C . 27111 1 259 . 1 . 1 74 74 ALA CA C 13 54.38 0.5 . 1 . . . . . 70 ALA CA . 27111 1 260 . 1 . 1 74 74 ALA N N 15 122.28 0.25 . 1 . . . . . 70 ALA N . 27111 1 261 . 1 . 1 75 75 ASP H H 1 8.90 0.03 . 1 . . . . . 71 ASP H . 27111 1 262 . 1 . 1 75 75 ASP C C 13 175.54 0.1 . 1 . . . . . 71 ASP C . 27111 1 263 . 1 . 1 75 75 ASP CA C 13 49.67 0.5 . 1 . . . . . 71 ASP CA . 27111 1 264 . 1 . 1 75 75 ASP N N 15 117.23 0.25 . 1 . . . . . 71 ASP N . 27111 1 265 . 1 . 1 76 76 PRO C C 13 178.02 0.1 . 1 . . . . . 72 PRO C . 27111 1 266 . 1 . 1 76 76 PRO CA C 13 64.91 0.5 . 1 . . . . . 72 PRO CA . 27111 1 267 . 1 . 1 77 77 ALA H H 1 8.66 0.03 . 1 . . . . . 73 ALA H . 27111 1 268 . 1 . 1 77 77 ALA C C 13 180.73 0.1 . 1 . . . . . 73 ALA C . 27111 1 269 . 1 . 1 77 77 ALA CA C 13 54.60 0.5 . 1 . . . . . 73 ALA CA . 27111 1 270 . 1 . 1 77 77 ALA N N 15 121.49 0.25 . 1 . . . . . 73 ALA N . 27111 1 271 . 1 . 1 78 78 SER H H 1 8.43 0.03 . 1 . . . . . 74 SER H . 27111 1 272 . 1 . 1 78 78 SER C C 13 175.14 0.1 . 1 . . . . . 74 SER C . 27111 1 273 . 1 . 1 78 78 SER CA C 13 62.50 0.5 . 1 . . . . . 74 SER CA . 27111 1 274 . 1 . 1 78 78 SER N N 15 115.32 0.25 . 1 . . . . . 74 SER N . 27111 1 275 . 1 . 1 79 79 VAL H H 1 7.31 0.03 . 1 . . . . . 75 VAL H . 27111 1 276 . 1 . 1 79 79 VAL C C 13 177.52 0.1 . 1 . . . . . 75 VAL C . 27111 1 277 . 1 . 1 79 79 VAL CA C 13 65.53 0.5 . 1 . . . . . 75 VAL CA . 27111 1 278 . 1 . 1 79 79 VAL N N 15 119.60 0.25 . 1 . . . . . 75 VAL N . 27111 1 279 . 1 . 1 80 80 ASP H H 1 6.97 0.03 . 1 . . . . . 76 ASP H . 27111 1 280 . 1 . 1 80 80 ASP C C 13 179.41 0.1 . 1 . . . . . 76 ASP C . 27111 1 281 . 1 . 1 80 80 ASP CA C 13 57.32 0.5 . 1 . . . . . 76 ASP CA . 27111 1 282 . 1 . 1 80 80 ASP N N 15 116.89 0.25 . 1 . . . . . 76 ASP N . 27111 1 283 . 1 . 1 81 81 LYS H H 1 7.23 0.03 . 1 . . . . . 77 LYS H . 27111 1 284 . 1 . 1 81 81 LYS C C 13 179.09 0.1 . 1 . . . . . 77 LYS C . 27111 1 285 . 1 . 1 81 81 LYS CA C 13 59.33 0.5 . 1 . . . . . 77 LYS CA . 27111 1 286 . 1 . 1 81 81 LYS N N 15 119.05 0.25 . 1 . . . . . 77 LYS N . 27111 1 287 . 1 . 1 82 82 VAL H H 1 7.49 0.03 . 1 . . . . . 78 VAL H . 27111 1 288 . 1 . 1 82 82 VAL C C 13 179.00 0.1 . 1 . . . . . 78 VAL C . 27111 1 289 . 1 . 1 82 82 VAL CA C 13 66.87 0.5 . 1 . . . . . 78 VAL CA . 27111 1 290 . 1 . 1 82 82 VAL N N 15 120.02 0.25 . 1 . . . . . 78 VAL N . 27111 1 291 . 1 . 1 83 83 LEU H H 1 8.05 0.03 . 1 . . . . . 79 LEU H . 27111 1 292 . 1 . 1 83 83 LEU C C 13 178.42 0.1 . 1 . . . . . 79 LEU C . 27111 1 293 . 1 . 1 83 83 LEU CA C 13 56.40 0.5 . 1 . . . . . 79 LEU CA . 27111 1 294 . 1 . 1 83 83 LEU N N 15 116.41 0.25 . 1 . . . . . 79 LEU N . 27111 1 295 . 1 . 1 84 84 GLY H H 1 7.64 0.03 . 1 . . . . . 80 GLY H . 27111 1 296 . 1 . 1 84 84 GLY C C 13 173.15 0.1 . 1 . . . . . 80 GLY C . 27111 1 297 . 1 . 1 84 84 GLY CA C 13 45.26 0.5 . 1 . . . . . 80 GLY CA . 27111 1 298 . 1 . 1 84 84 GLY N N 15 105.34 0.25 . 1 . . . . . 80 GLY N . 27111 1 299 . 1 . 1 85 85 GLN H H 1 7.41 0.03 . 1 . . . . . 81 GLN H . 27111 1 300 . 1 . 1 85 85 GLN C C 13 174.25 0.1 . 1 . . . . . 81 GLN C . 27111 1 301 . 1 . 1 85 85 GLN CA C 13 52.19 0.5 . 1 . . . . . 81 GLN CA . 27111 1 302 . 1 . 1 85 85 GLN N N 15 123.05 0.25 . 1 . . . . . 81 GLN N . 27111 1 303 . 1 . 1 86 86 PRO C C 13 176.37 0.1 . 1 . . . . . 82 PRO C . 27111 1 304 . 1 . 1 86 86 PRO CA C 13 64.88 0.5 . 1 . . . . . 82 PRO CA . 27111 1 305 . 1 . 1 87 87 HIS H H 1 7.52 0.03 . 1 . . . . . 83 HIS H . 27111 1 306 . 1 . 1 87 87 HIS C C 13 172.34 0.1 . 1 . . . . . 83 HIS C . 27111 1 307 . 1 . 1 87 87 HIS CA C 13 55.59 0.5 . 1 . . . . . 83 HIS CA . 27111 1 308 . 1 . 1 87 87 HIS N N 15 114.95 0.25 . 1 . . . . . 83 HIS N . 27111 1 309 . 1 . 1 88 88 HIS H H 1 9.03 0.03 . 1 . . . . . 84 HIS H . 27111 1 310 . 1 . 1 88 88 HIS C C 13 173.26 0.1 . 1 . . . . . 84 HIS C . 27111 1 311 . 1 . 1 88 88 HIS CA C 13 55.90 0.5 . 1 . . . . . 84 HIS CA . 27111 1 312 . 1 . 1 88 88 HIS N N 15 125.99 0.25 . 1 . . . . . 84 HIS N . 27111 1 313 . 1 . 1 89 89 GLU H H 1 7.99 0.03 . 1 . . . . . 85 GLU H . 27111 1 314 . 1 . 1 89 89 GLU C C 13 173.04 0.1 . 1 . . . . . 85 GLU C . 27111 1 315 . 1 . 1 89 89 GLU CA C 13 54.28 0.5 . 1 . . . . . 85 GLU CA . 27111 1 316 . 1 . 1 89 89 GLU N N 15 122.01 0.25 . 1 . . . . . 85 GLU N . 27111 1 317 . 1 . 1 90 90 LEU H H 1 8.57 0.03 . 1 . . . . . 86 LEU H . 27111 1 318 . 1 . 1 90 90 LEU C C 13 176.23 0.1 . 1 . . . . . 86 LEU C . 27111 1 319 . 1 . 1 90 90 LEU CA C 13 54.26 0.5 . 1 . . . . . 86 LEU CA . 27111 1 320 . 1 . 1 90 90 LEU N N 15 123.49 0.25 . 1 . . . . . 86 LEU N . 27111 1 321 . 1 . 1 91 91 ASP H H 1 9.56 0.03 . 1 . . . . . 87 ASP H . 27111 1 322 . 1 . 1 91 91 ASP C C 13 175.00 0.1 . 1 . . . . . 87 ASP C . 27111 1 323 . 1 . 1 91 91 ASP CA C 13 56.17 0.5 . 1 . . . . . 87 ASP CA . 27111 1 324 . 1 . 1 91 91 ASP N N 15 128.21 0.25 . 1 . . . . . 87 ASP N . 27111 1 325 . 1 . 1 92 92 SER H H 1 8.69 0.03 . 1 . . . . . 88 SER H . 27111 1 326 . 1 . 1 92 92 SER C C 13 172.95 0.1 . 1 . . . . . 88 SER C . 27111 1 327 . 1 . 1 92 92 SER CA C 13 59.92 0.5 . 1 . . . . . 88 SER CA . 27111 1 328 . 1 . 1 92 92 SER N N 15 105.50 0.25 . 1 . . . . . 88 SER N . 27111 1 329 . 1 . 1 93 93 LYS H H 1 7.49 0.03 . 1 . . . . . 89 LYS H . 27111 1 330 . 1 . 1 93 93 LYS C C 13 175.14 0.1 . 1 . . . . . 89 LYS C . 27111 1 331 . 1 . 1 93 93 LYS CA C 13 53.55 0.5 . 1 . . . . . 89 LYS CA . 27111 1 332 . 1 . 1 93 93 LYS N N 15 120.86 0.25 . 1 . . . . . 89 LYS N . 27111 1 333 . 1 . 1 94 94 THR H H 1 8.57 0.03 . 1 . . . . . 90 THR H . 27111 1 334 . 1 . 1 94 94 THR C C 13 174.66 0.1 . 1 . . . . . 90 THR C . 27111 1 335 . 1 . 1 94 94 THR CA C 13 63.73 0.5 . 1 . . . . . 90 THR CA . 27111 1 336 . 1 . 1 94 94 THR N N 15 121.17 0.25 . 1 . . . . . 90 THR N . 27111 1 337 . 1 . 1 95 95 ILE H H 1 8.01 0.03 . 1 . . . . . 91 ILE H . 27111 1 338 . 1 . 1 95 95 ILE C C 13 174.66 0.1 . 1 . . . . . 91 ILE C . 27111 1 339 . 1 . 1 95 95 ILE CA C 13 60.45 0.5 . 1 . . . . . 91 ILE CA . 27111 1 340 . 1 . 1 95 95 ILE N N 15 121.81 0.25 . 1 . . . . . 91 ILE N . 27111 1 341 . 1 . 1 96 96 ASP H H 1 8.37 0.03 . 1 . . . . . 92 ASP H . 27111 1 342 . 1 . 1 96 96 ASP C C 13 173.14 0.1 . 1 . . . . . 92 ASP C . 27111 1 343 . 1 . 1 96 96 ASP CA C 13 51.35 0.5 . 1 . . . . . 92 ASP CA . 27111 1 344 . 1 . 1 96 96 ASP N N 15 117.83 0.25 . 1 . . . . . 92 ASP N . 27111 1 345 . 1 . 1 97 97 PRO C C 13 175.87 0.1 . 1 . . . . . 93 PRO C . 27111 1 346 . 1 . 1 97 97 PRO CA C 13 61.65 0.5 . 1 . . . . . 93 PRO CA . 27111 1 347 . 1 . 1 98 98 LYS H H 1 9.50 0.03 . 1 . . . . . 94 LYS H . 27111 1 348 . 1 . 1 98 98 LYS C C 13 175.90 0.1 . 1 . . . . . 94 LYS C . 27111 1 349 . 1 . 1 98 98 LYS CA C 13 54.64 0.5 . 1 . . . . . 94 LYS CA . 27111 1 350 . 1 . 1 98 98 LYS N N 15 121.79 0.25 . 1 . . . . . 94 LYS N . 27111 1 351 . 1 . 1 99 99 VAL H H 1 8.65 0.03 . 1 . . . . . 95 VAL H . 27111 1 352 . 1 . 1 99 99 VAL C C 13 175.66 0.1 . 1 . . . . . 95 VAL C . 27111 1 353 . 1 . 1 99 99 VAL CA C 13 63.98 0.5 . 1 . . . . . 95 VAL CA . 27111 1 354 . 1 . 1 99 99 VAL N N 15 119.40 0.25 . 1 . . . . . 95 VAL N . 27111 1 355 . 1 . 1 100 100 ALA H H 1 8.01 0.03 . 1 . . . . . 96 ALA H . 27111 1 356 . 1 . 1 100 100 ALA C C 13 176.13 0.1 . 1 . . . . . 96 ALA C . 27111 1 357 . 1 . 1 100 100 ALA CA C 13 52.86 0.5 . 1 . . . . . 96 ALA CA . 27111 1 358 . 1 . 1 100 100 ALA N N 15 126.34 0.25 . 1 . . . . . 96 ALA N . 27111 1 359 . 1 . 1 101 101 PHE H H 1 8.12 0.03 . 1 . . . . . 97 PHE H . 27111 1 360 . 1 . 1 101 101 PHE C C 13 173.15 0.1 . 1 . . . . . 97 PHE C . 27111 1 361 . 1 . 1 101 101 PHE CA C 13 55.08 0.5 . 1 . . . . . 97 PHE CA . 27111 1 362 . 1 . 1 101 101 PHE N N 15 118.54 0.25 . 1 . . . . . 97 PHE N . 27111 1 363 . 1 . 1 102 102 PRO C C 13 175.93 0.1 . 1 . . . . . 98 PRO C . 27111 1 364 . 1 . 1 102 102 PRO CA C 13 63.13 0.5 . 1 . . . . . 98 PRO CA . 27111 1 365 . 1 . 1 103 103 ARG H H 1 8.39 0.03 . 1 . . . . . 99 ARG H . 27111 1 366 . 1 . 1 103 103 ARG C C 13 176.52 0.1 . 1 . . . . . 99 ARG C . 27111 1 367 . 1 . 1 103 103 ARG CA C 13 56.43 0.5 . 1 . . . . . 99 ARG CA . 27111 1 368 . 1 . 1 103 103 ARG N N 15 121.61 0.25 . 1 . . . . . 99 ARG N . 27111 1 369 . 1 . 1 104 104 ARG H H 1 8.34 0.03 . 1 . . . . . 100 ARG H . 27111 1 370 . 1 . 1 104 104 ARG C C 13 175.71 0.1 . 1 . . . . . 100 ARG C . 27111 1 371 . 1 . 1 104 104 ARG CA C 13 55.91 0.5 . 1 . . . . . 100 ARG CA . 27111 1 372 . 1 . 1 104 104 ARG N N 15 122.30 0.25 . 1 . . . . . 100 ARG N . 27111 1 373 . 1 . 1 105 105 ALA H H 1 8.35 0.03 . 1 . . . . . 101 ALA H . 27111 1 374 . 1 . 1 105 105 ALA C C 13 177.19 0.1 . 1 . . . . . 101 ALA C . 27111 1 375 . 1 . 1 105 105 ALA CA C 13 52.24 0.5 . 1 . . . . . 101 ALA CA . 27111 1 376 . 1 . 1 105 105 ALA N N 15 125.64 0.25 . 1 . . . . . 101 ALA N . 27111 1 377 . 1 . 1 106 106 GLN H H 1 8.35 0.03 . 1 . . . . . 102 GLN H . 27111 1 378 . 1 . 1 106 106 GLN C C 13 173.96 0.1 . 1 . . . . . 102 GLN C . 27111 1 379 . 1 . 1 106 106 GLN CA C 13 53.71 0.5 . 1 . . . . . 102 GLN CA . 27111 1 380 . 1 . 1 106 106 GLN N N 15 121.08 0.25 . 1 . . . . . 102 GLN N . 27111 1 381 . 1 . 1 107 107 PRO C C 13 175.37 0.1 . 1 . . . . . 103 PRO C . 27111 1 382 . 1 . 1 107 107 PRO CA C 13 63.23 0.5 . 1 . . . . . 103 PRO CA . 27111 1 383 . 1 . 1 108 108 LYS H H 1 8.31 0.03 . 1 . . . . . 104 LYS H . 27111 1 384 . 1 . 1 108 108 LYS C C 13 176.44 0.1 . 1 . . . . . 104 LYS C . 27111 1 385 . 1 . 1 108 108 LYS CA C 13 56.39 0.5 . 1 . . . . . 104 LYS CA . 27111 1 386 . 1 . 1 108 108 LYS N N 15 123.55 0.25 . 1 . . . . . 104 LYS N . 27111 1 387 . 1 . 1 109 109 MET H H 1 8.39 0.03 . 1 . . . . . 105 MET H . 27111 1 388 . 1 . 1 109 109 MET C C 13 175.94 0.1 . 1 . . . . . 105 MET C . 27111 1 389 . 1 . 1 109 109 MET CA C 13 55.36 0.5 . 1 . . . . . 105 MET CA . 27111 1 390 . 1 . 1 109 109 MET N N 15 122.23 0.25 . 1 . . . . . 105 MET N . 27111 1 391 . 1 . 1 110 110 VAL H H 1 8.25 0.03 . 1 . . . . . 106 VAL H . 27111 1 392 . 1 . 1 110 110 VAL C C 13 176.12 0.1 . 1 . . . . . 106 VAL C . 27111 1 393 . 1 . 1 110 110 VAL CA C 13 62.30 0.5 . 1 . . . . . 106 VAL CA . 27111 1 394 . 1 . 1 110 110 VAL N N 15 122.53 0.25 . 1 . . . . . 106 VAL N . 27111 1 395 . 1 . 1 111 111 THR H H 1 8.28 0.03 . 1 . . . . . 107 THR H . 27111 1 396 . 1 . 1 111 111 THR C C 13 174.24 0.1 . 1 . . . . . 107 THR C . 27111 1 397 . 1 . 1 111 111 THR CA C 13 62.00 0.5 . 1 . . . . . 107 THR CA . 27111 1 398 . 1 . 1 111 111 THR N N 15 119.12 0.25 . 1 . . . . . 107 THR N . 27111 1 399 . 1 . 1 112 112 ARG H H 1 8.45 0.03 . 1 . . . . . 108 ARG H . 27111 1 400 . 1 . 1 112 112 ARG C C 13 176.21 0.1 . 1 . . . . . 108 ARG C . 27111 1 401 . 1 . 1 112 112 ARG CA C 13 55.97 0.5 . 1 . . . . . 108 ARG CA . 27111 1 402 . 1 . 1 112 112 ARG N N 15 124.26 0.25 . 1 . . . . . 108 ARG N . 27111 1 403 . 1 . 1 113 113 THR H H 1 8.22 0.03 . 1 . . . . . 109 THR H . 27111 1 404 . 1 . 1 113 113 THR C C 13 174.17 0.1 . 1 . . . . . 109 THR C . 27111 1 405 . 1 . 1 113 113 THR CA C 13 62.00 0.5 . 1 . . . . . 109 THR CA . 27111 1 406 . 1 . 1 113 113 THR N N 15 116.33 0.25 . 1 . . . . . 109 THR N . 27111 1 407 . 1 . 1 114 114 LYS H H 1 8.33 0.03 . 1 . . . . . 110 LYS H . 27111 1 408 . 1 . 1 114 114 LYS C C 13 175.37 0.1 . 1 . . . . . 110 LYS C . 27111 1 409 . 1 . 1 114 114 LYS CA C 13 56.41 0.5 . 1 . . . . . 110 LYS CA . 27111 1 410 . 1 . 1 114 114 LYS N N 15 124.73 0.25 . 1 . . . . . 110 LYS N . 27111 1 411 . 1 . 1 115 115 LYS H H 1 8.03 0.03 . 1 . . . . . 111 LYS H . 27111 1 412 . 1 . 1 115 115 LYS C C 13 181.28 0.1 . 1 . . . . . 111 LYS C . 27111 1 413 . 1 . 1 115 115 LYS CA C 13 57.93 0.5 . 1 . . . . . 111 LYS CA . 27111 1 414 . 1 . 1 115 115 LYS N N 15 128.78 0.25 . 1 . . . . . 111 LYS N . 27111 1 stop_ save_