################################### # 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 19442 _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 SOFAST HMQC' . . . 19442 1 2 '3D HNCO' . . . 19442 1 3 '3D HNCACO' . . . 19442 1 4 '3D HNCACB' . . . 19442 1 5 '3D CBCA(CO)NH' . . . 19442 1 6 '3D HNCANNH' . . . 19442 1 7 '2D 13C-15N CON-IPAP' . . . 19442 1 8 '2D 13C-13C HCACO-IPAP' . . . 19442 1 9 '3D HCBCACON-IPAP' . . . 19442 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 GLY C C 13 173.9 0.1 . 1 . . . . 3 GLY C . 19442 1 2 . 1 1 3 3 GLY CA C 13 45.3 0.1 . 1 . . . . 3 GLY CA . 19442 1 3 . 1 1 4 4 ASP H H 1 8.28 0.02 . 1 . . . . 4 ASP H . 19442 1 4 . 1 1 4 4 ASP C C 13 176.3 0.1 . 1 . . . . 4 ASP C . 19442 1 5 . 1 1 4 4 ASP CA C 13 54.2 0.1 . 1 . . . . 4 ASP CA . 19442 1 6 . 1 1 4 4 ASP CB C 13 41.1 0.1 . 1 . . . . 4 ASP CB . 19442 1 7 . 1 1 4 4 ASP N N 15 120.4 0.1 . 1 . . . . 4 ASP N . 19442 1 8 . 1 1 5 5 THR H H 1 8.16 0.02 . 1 . . . . 5 THR H . 19442 1 9 . 1 1 5 5 THR C C 13 172.9 0.1 . 1 . . . . 5 THR C . 19442 1 10 . 1 1 5 5 THR CA C 13 59.8 0.1 . 1 . . . . 5 THR CA . 19442 1 11 . 1 1 5 5 THR CB C 13 69.8 0.1 . 1 . . . . 5 THR CB . 19442 1 12 . 1 1 5 5 THR N N 15 116.5 0.1 . 1 . . . . 5 THR N . 19442 1 13 . 1 1 6 6 PRO C C 13 177.0 0.1 . 1 . . . . 6 PRO C . 19442 1 14 . 1 1 6 6 PRO CA C 13 63.3 0.1 . 1 . . . . 6 PRO CA . 19442 1 15 . 1 1 6 6 PRO CB C 13 31.9 0.1 . 1 . . . . 6 PRO CB . 19442 1 16 . 1 1 6 6 PRO N N 15 139.0 0.1 . 1 . . . . 6 PRO N . 19442 1 17 . 1 1 7 7 THR H H 1 8.24 0.02 . 1 . . . . 7 THR H . 19442 1 18 . 1 1 7 7 THR C C 13 174.4 0.1 . 1 . . . . 7 THR C . 19442 1 19 . 1 1 7 7 THR CA C 13 62.0 0.1 . 1 . . . . 7 THR CA . 19442 1 20 . 1 1 7 7 THR CB C 13 69.8 0.1 . 1 . . . . 7 THR CB . 19442 1 21 . 1 1 7 7 THR N N 15 115.1 0.1 . 1 . . . . 7 THR N . 19442 1 22 . 1 1 8 8 LEU H H 1 8.21 0.02 . 1 . . . . 8 LEU H . 19442 1 23 . 1 1 8 8 LEU C C 13 176.9 0.1 . 1 . . . . 8 LEU C . 19442 1 24 . 1 1 8 8 LEU CA C 13 55.4 0.1 . 1 . . . . 8 LEU CA . 19442 1 25 . 1 1 8 8 LEU CB C 13 42.2 0.1 . 1 . . . . 8 LEU CB . 19442 1 26 . 1 1 8 8 LEU N N 15 124.6 0.1 . 1 . . . . 8 LEU N . 19442 1 27 . 1 1 9 9 HIS H H 1 8.18 0.02 . 1 . . . . 9 HIS H . 19442 1 28 . 1 1 9 9 HIS C C 13 175.5 0.1 . 1 . . . . 9 HIS C . 19442 1 29 . 1 1 9 9 HIS CA C 13 56.7 0.1 . 1 . . . . 9 HIS CA . 19442 1 30 . 1 1 9 9 HIS CB C 13 30.8 0.1 . 1 . . . . 9 HIS CB . 19442 1 31 . 1 1 9 9 HIS N N 15 120.2 0.1 . 1 . . . . 9 HIS N . 19442 1 32 . 1 1 11 11 TYR H H 1 8.13 0.02 . 1 . . . . 11 TYR H . 19442 1 33 . 1 1 11 11 TYR C C 13 175.8 0.1 . 1 . . . . 11 TYR C . 19442 1 34 . 1 1 11 11 TYR CA C 13 58.0 0.1 . 1 . . . . 11 TYR CA . 19442 1 35 . 1 1 11 11 TYR CB C 13 38.4 0.1 . 1 . . . . 11 TYR CB . 19442 1 36 . 1 1 11 11 TYR N N 15 120.2 0.1 . 1 . . . . 11 TYR N . 19442 1 37 . 1 1 12 12 MET H H 1 8.13 0.02 . 1 . . . . 12 MET H . 19442 1 38 . 1 1 12 12 MET C C 13 175.9 0.1 . 1 . . . . 12 MET C . 19442 1 39 . 1 1 12 12 MET CA C 13 55.5 0.1 . 1 . . . . 12 MET CA . 19442 1 40 . 1 1 12 12 MET CB C 13 32.5 0.1 . 1 . . . . 12 MET CB . 19442 1 41 . 1 1 12 12 MET N N 15 121.4 0.1 . 1 . . . . 12 MET N . 19442 1 42 . 1 1 13 13 LEU H H 1 8.00 0.02 . 1 . . . . 13 LEU H . 19442 1 43 . 1 1 13 13 LEU C C 13 176.9 0.1 . 1 . . . . 13 LEU C . 19442 1 44 . 1 1 13 13 LEU CA C 13 55.5 0.1 . 1 . . . . 13 LEU CA . 19442 1 45 . 1 1 13 13 LEU CB C 13 42.4 0.1 . 1 . . . . 13 LEU CB . 19442 1 46 . 1 1 13 13 LEU N N 15 122.6 0.1 . 1 . . . . 13 LEU N . 19442 1 47 . 1 1 14 14 ASP H H 1 8.23 0.02 . 1 . . . . 14 ASP H . 19442 1 48 . 1 1 14 14 ASP C C 13 175.8 0.1 . 1 . . . . 14 ASP C . 19442 1 49 . 1 1 14 14 ASP CA C 13 54.3 0.1 . 1 . . . . 14 ASP CA . 19442 1 50 . 1 1 14 14 ASP CB C 13 41.0 0.1 . 1 . . . . 14 ASP CB . 19442 1 51 . 1 1 14 14 ASP N N 15 120.6 0.1 . 1 . . . . 14 ASP N . 19442 1 52 . 1 1 15 15 LEU H H 1 7.97 0.02 . 1 . . . . 15 LEU H . 19442 1 53 . 1 1 15 15 LEU C C 13 177.1 0.1 . 1 . . . . 15 LEU C . 19442 1 54 . 1 1 15 15 LEU CA C 13 54.8 0.1 . 1 . . . . 15 LEU CA . 19442 1 55 . 1 1 15 15 LEU CB C 13 42.3 0.1 . 1 . . . . 15 LEU CB . 19442 1 56 . 1 1 15 15 LEU N N 15 120.0 0.1 . 1 . . . . 15 LEU N . 19442 1 57 . 1 1 16 16 GLN H H 1 8.36 0.02 . 1 . . . . 16 GLN H . 19442 1 58 . 1 1 16 16 GLN C C 13 173.9 0.1 . 1 . . . . 16 GLN C . 19442 1 59 . 1 1 16 16 GLN CA C 13 53.6 0.1 . 1 . . . . 16 GLN CA . 19442 1 60 . 1 1 16 16 GLN CB C 13 28.7 0.1 . 1 . . . . 16 GLN CB . 19442 1 61 . 1 1 16 16 GLN N N 15 122.3 0.1 . 1 . . . . 16 GLN N . 19442 1 62 . 1 1 17 17 PRO C C 13 177.0 0.1 . 1 . . . . 17 PRO C . 19442 1 63 . 1 1 17 17 PRO CA C 13 63.0 0.1 . 1 . . . . 17 PRO CA . 19442 1 64 . 1 1 17 17 PRO CB C 13 32.0 0.1 . 1 . . . . 17 PRO CB . 19442 1 65 . 1 1 17 17 PRO N N 15 137.1 0.1 . 1 . . . . 17 PRO N . 19442 1 66 . 1 1 18 18 GLU H H 1 8.62 0.02 . 1 . . . . 18 GLU H . 19442 1 67 . 1 1 18 18 GLU C C 13 176.9 0.1 . 1 . . . . 18 GLU C . 19442 1 68 . 1 1 18 18 GLU CA C 13 56.8 0.1 . 1 . . . . 18 GLU CA . 19442 1 69 . 1 1 18 18 GLU CB C 13 30.2 0.1 . 1 . . . . 18 GLU CB . 19442 1 70 . 1 1 18 18 GLU N N 15 120.9 0.1 . 1 . . . . 18 GLU N . 19442 1 71 . 1 1 19 19 THR H H 1 8.21 0.02 . 1 . . . . 19 THR H . 19442 1 72 . 1 1 19 19 THR C C 13 174.6 0.1 . 1 . . . . 19 THR C . 19442 1 73 . 1 1 19 19 THR CA C 13 61.7 0.1 . 1 . . . . 19 THR CA . 19442 1 74 . 1 1 19 19 THR CB C 13 69.8 0.1 . 1 . . . . 19 THR CB . 19442 1 75 . 1 1 19 19 THR N N 15 115.1 0.1 . 1 . . . . 19 THR N . 19442 1 76 . 1 1 20 20 THR H H 1 8.16 0.02 . 1 . . . . 20 THR H . 19442 1 77 . 1 1 20 20 THR C C 13 174.2 0.1 . 1 . . . . 20 THR C . 19442 1 78 . 1 1 20 20 THR CA C 13 62.0 0.1 . 1 . . . . 20 THR CA . 19442 1 79 . 1 1 20 20 THR CB C 13 69.8 0.1 . 1 . . . . 20 THR CB . 19442 1 80 . 1 1 20 20 THR N N 15 116.1 0.1 . 1 . . . . 20 THR N . 19442 1 81 . 1 1 21 21 ASP H H 1 8.33 0.02 . 1 . . . . 21 ASP H . 19442 1 82 . 1 1 21 21 ASP C C 13 176.0 0.1 . 1 . . . . 21 ASP C . 19442 1 83 . 1 1 21 21 ASP CA C 13 54.5 0.1 . 1 . . . . 21 ASP CA . 19442 1 84 . 1 1 21 21 ASP CB C 13 41.0 0.1 . 1 . . . . 21 ASP CB . 19442 1 85 . 1 1 21 21 ASP N N 15 122.9 0.1 . 1 . . . . 21 ASP N . 19442 1 86 . 1 1 22 22 LEU H H 1 8.04 0.02 . 1 . . . . 22 LEU H . 19442 1 87 . 1 1 22 22 LEU C C 13 177.1 0.1 . 1 . . . . 22 LEU C . 19442 1 88 . 1 1 22 22 LEU CA C 13 55.4 0.1 . 1 . . . . 22 LEU CA . 19442 1 89 . 1 1 22 22 LEU CB C 13 42.2 0.1 . 1 . . . . 22 LEU CB . 19442 1 90 . 1 1 22 22 LEU N N 15 122.2 0.1 . 1 . . . . 22 LEU N . 19442 1 91 . 1 1 23 23 TYR H H 1 8.13 0.02 . 1 . . . . 23 TYR H . 19442 1 92 . 1 1 23 23 TYR C C 13 175.6 0.1 . 1 . . . . 23 TYR C . 19442 1 93 . 1 1 23 23 TYR CA C 13 58.0 0.1 . 1 . . . . 23 TYR CA . 19442 1 94 . 1 1 23 23 TYR CB C 13 38.4 0.1 . 1 . . . . 23 TYR CB . 19442 1 95 . 1 1 23 23 TYR N N 15 120.4 0.1 . 1 . . . . 23 TYR N . 19442 1 96 . 1 1 24 24 CYS H H 1 7.98 0.02 . 1 . . . . 24 CYS H . 19442 1 97 . 1 1 24 24 CYS C C 13 174.1 0.1 . 1 . . . . 24 CYS C . 19442 1 98 . 1 1 24 24 CYS CA C 13 58.3 0.1 . 1 . . . . 24 CYS CA . 19442 1 99 . 1 1 24 24 CYS CB C 13 27.6 0.1 . 1 . . . . 24 CYS CB . 19442 1 100 . 1 1 24 24 CYS N N 15 120.9 0.1 . 1 . . . . 24 CYS N . 19442 1 101 . 1 1 25 25 TYR H H 1 8.14 0.02 . 1 . . . . 25 TYR H . 19442 1 102 . 1 1 25 25 TYR C C 13 175.8 0.1 . 1 . . . . 25 TYR C . 19442 1 103 . 1 1 25 25 TYR CA C 13 58.2 0.1 . 1 . . . . 25 TYR CA . 19442 1 104 . 1 1 25 25 TYR CB C 13 38.7 0.1 . 1 . . . . 25 TYR CB . 19442 1 105 . 1 1 25 25 TYR N N 15 123.1 0.1 . 1 . . . . 25 TYR N . 19442 1 106 . 1 1 26 26 GLU H H 1 8.27 0.02 . 1 . . . . 26 GLU H . 19442 1 107 . 1 1 26 26 GLU C C 13 176.0 0.1 . 1 . . . . 26 GLU C . 19442 1 108 . 1 1 26 26 GLU CA C 13 56.6 0.1 . 1 . . . . 26 GLU CA . 19442 1 109 . 1 1 26 26 GLU CB C 13 30.3 0.1 . 1 . . . . 26 GLU CB . 19442 1 110 . 1 1 26 26 GLU N N 15 122.3 0.1 . 1 . . . . 26 GLU N . 19442 1 111 . 1 1 27 27 GLN H H 1 8.26 0.02 . 1 . . . . 27 GLN H . 19442 1 112 . 1 1 27 27 GLN C C 13 175.8 0.1 . 1 . . . . 27 GLN C . 19442 1 113 . 1 1 27 27 GLN CA C 13 55.7 0.1 . 1 . . . . 27 GLN CA . 19442 1 114 . 1 1 27 27 GLN CB C 13 29.3 0.1 . 1 . . . . 27 GLN CB . 19442 1 115 . 1 1 27 27 GLN N N 15 121.4 0.1 . 1 . . . . 27 GLN N . 19442 1 116 . 1 1 28 28 LEU H H 1 8.25 0.02 . 1 . . . . 28 LEU H . 19442 1 117 . 1 1 28 28 LEU C C 13 177.1 0.1 . 1 . . . . 28 LEU C . 19442 1 118 . 1 1 28 28 LEU CA C 13 55.4 0.1 . 1 . . . . 28 LEU CA . 19442 1 119 . 1 1 28 28 LEU CB C 13 42.2 0.1 . 1 . . . . 28 LEU CB . 19442 1 120 . 1 1 28 28 LEU N N 15 123.8 0.1 . 1 . . . . 28 LEU N . 19442 1 121 . 1 1 29 29 ASN H H 1 8.41 0.02 . 1 . . . . 29 ASN H . 19442 1 122 . 1 1 29 29 ASN C C 13 174.8 0.1 . 1 . . . . 29 ASN C . 19442 1 123 . 1 1 29 29 ASN CA C 13 53.1 0.1 . 1 . . . . 29 ASN CA . 19442 1 124 . 1 1 29 29 ASN CB C 13 39.2 0.1 . 1 . . . . 29 ASN CB . 19442 1 125 . 1 1 29 29 ASN N N 15 119.6 0.1 . 1 . . . . 29 ASN N . 19442 1 126 . 1 1 30 30 ASP H H 1 8.34 0.02 . 1 . . . . 30 ASP H . 19442 1 127 . 1 1 30 30 ASP C C 13 176.3 0.1 . 1 . . . . 30 ASP C . 19442 1 128 . 1 1 30 30 ASP CA C 13 54.2 0.1 . 1 . . . . 30 ASP CA . 19442 1 129 . 1 1 30 30 ASP CB C 13 41.3 0.1 . 1 . . . . 30 ASP CB . 19442 1 130 . 1 1 30 30 ASP N N 15 121.5 0.1 . 1 . . . . 30 ASP N . 19442 1 131 . 1 1 31 31 SER H H 1 8.30 0.02 . 1 . . . . 31 SER H . 19442 1 132 . 1 1 31 31 SER C C 13 174.7 0.1 . 1 . . . . 31 SER C . 19442 1 133 . 1 1 31 31 SER CA C 13 58.3 0.1 . 1 . . . . 31 SER CA . 19442 1 134 . 1 1 31 31 SER CB C 13 63.9 0.1 . 1 . . . . 31 SER CB . 19442 1 135 . 1 1 31 31 SER N N 15 116.5 0.1 . 1 . . . . 31 SER N . 19442 1 136 . 1 1 32 32 SER H H 1 8.44 0.02 . 1 . . . . 32 SER H . 19442 1 137 . 1 1 32 32 SER C C 13 174.6 0.1 . 1 . . . . 32 SER C . 19442 1 138 . 1 1 32 32 SER CA C 13 58.6 0.1 . 1 . . . . 32 SER CA . 19442 1 139 . 1 1 32 32 SER CB C 13 63.8 0.1 . 1 . . . . 32 SER CB . 19442 1 140 . 1 1 32 32 SER N N 15 118.2 0.1 . 1 . . . . 32 SER N . 19442 1 141 . 1 1 33 33 GLU H H 1 8.45 0.02 . 1 . . . . 33 GLU H . 19442 1 142 . 1 1 33 33 GLU C C 13 176.5 0.1 . 1 . . . . 33 GLU C . 19442 1 143 . 1 1 33 33 GLU CA C 13 56.6 0.1 . 1 . . . . 33 GLU CA . 19442 1 144 . 1 1 33 33 GLU CB C 13 30.2 0.1 . 1 . . . . 33 GLU CB . 19442 1 145 . 1 1 33 33 GLU N N 15 122.6 0.1 . 1 . . . . 33 GLU N . 19442 1 146 . 1 1 34 34 GLU H H 1 8.41 0.02 . 1 . . . . 34 GLU H . 19442 1 147 . 1 1 34 34 GLU C C 13 176.2 0.1 . 1 . . . . 34 GLU C . 19442 1 148 . 1 1 34 34 GLU CA C 13 56.3 0.1 . 1 . . . . 34 GLU CA . 19442 1 149 . 1 1 34 34 GLU CB C 13 30.5 0.1 . 1 . . . . 34 GLU CB . 19442 1 150 . 1 1 34 34 GLU N N 15 122.1 0.1 . 1 . . . . 34 GLU N . 19442 1 151 . 1 1 35 35 GLU H H 1 8.39 0.02 . 1 . . . . 35 GLU H . 19442 1 152 . 1 1 35 35 GLU C C 13 176.5 0.1 . 1 . . . . 35 GLU C . 19442 1 153 . 1 1 35 35 GLU CA C 13 56.5 0.1 . 1 . . . . 35 GLU CA . 19442 1 154 . 1 1 35 35 GLU CB C 13 30.3 0.1 . 1 . . . . 35 GLU CB . 19442 1 155 . 1 1 35 35 GLU N N 15 121.9 0.1 . 1 . . . . 35 GLU N . 19442 1 156 . 1 1 36 36 ASP H H 1 8.36 0.02 . 1 . . . . 36 ASP H . 19442 1 157 . 1 1 36 36 ASP C C 13 176.2 0.1 . 1 . . . . 36 ASP C . 19442 1 158 . 1 1 36 36 ASP CA C 13 54.2 0.1 . 1 . . . . 36 ASP CA . 19442 1 159 . 1 1 36 36 ASP CB C 13 41.3 0.1 . 1 . . . . 36 ASP CB . 19442 1 160 . 1 1 36 36 ASP N N 15 121.6 0.1 . 1 . . . . 36 ASP N . 19442 1 161 . 1 1 37 37 GLU H H 1 8.38 0.02 . 1 . . . . 37 GLU H . 19442 1 162 . 1 1 37 37 GLU C C 13 176.5 0.1 . 1 . . . . 37 GLU C . 19442 1 163 . 1 1 37 37 GLU CA C 13 56.6 0.1 . 1 . . . . 37 GLU CA . 19442 1 164 . 1 1 37 37 GLU CB C 13 30.2 0.1 . 1 . . . . 37 GLU CB . 19442 1 165 . 1 1 37 37 GLU N N 15 121.6 0.1 . 1 . . . . 37 GLU N . 19442 1 166 . 1 1 38 38 ILE H H 1 8.21 0.02 . 1 . . . . 38 ILE H . 19442 1 167 . 1 1 38 38 ILE C C 13 176.0 0.1 . 1 . . . . 38 ILE C . 19442 1 168 . 1 1 38 38 ILE CA C 13 61.3 0.1 . 1 . . . . 38 ILE CA . 19442 1 169 . 1 1 38 38 ILE CB C 13 38.7 0.1 . 1 . . . . 38 ILE CB . 19442 1 170 . 1 1 38 38 ILE N N 15 122.2 0.1 . 1 . . . . 38 ILE N . 19442 1 171 . 1 1 39 39 ASP H H 1 8.43 0.02 . 1 . . . . 39 ASP H . 19442 1 172 . 1 1 39 39 ASP C C 13 176.3 0.1 . 1 . . . . 39 ASP C . 19442 1 173 . 1 1 39 39 ASP CA C 13 54.2 0.1 . 1 . . . . 39 ASP CA . 19442 1 174 . 1 1 39 39 ASP CB C 13 41.3 0.1 . 1 . . . . 39 ASP CB . 19442 1 175 . 1 1 39 39 ASP N N 15 124.1 0.1 . 1 . . . . 39 ASP N . 19442 1 176 . 1 1 40 40 GLY H H 1 8.08 0.02 . 1 . . . . 40 GLY H . 19442 1 177 . 1 1 40 40 GLY C C 13 171.8 0.1 . 1 . . . . 40 GLY C . 19442 1 178 . 1 1 40 40 GLY CA C 13 44.8 0.1 . 1 . . . . 40 GLY CA . 19442 1 179 . 1 1 40 40 GLY N N 15 109.2 0.1 . 1 . . . . 40 GLY N . 19442 1 180 . 1 1 41 41 PRO C C 13 177.2 0.1 . 1 . . . . 41 PRO C . 19442 1 181 . 1 1 41 41 PRO CA C 13 63.1 0.1 . 1 . . . . 41 PRO CA . 19442 1 182 . 1 1 41 41 PRO CB C 13 32.0 0.1 . 1 . . . . 41 PRO CB . 19442 1 183 . 1 1 41 41 PRO N N 15 134.5 0.1 . 1 . . . . 41 PRO N . 19442 1 184 . 1 1 42 42 ALA H H 1 8.45 0.02 . 1 . . . . 42 ALA H . 19442 1 185 . 1 1 42 42 ALA C C 13 178.5 0.1 . 1 . . . . 42 ALA C . 19442 1 186 . 1 1 42 42 ALA CA C 13 52.7 0.1 . 1 . . . . 42 ALA CA . 19442 1 187 . 1 1 42 42 ALA CB C 13 19.0 0.1 . 1 . . . . 42 ALA CB . 19442 1 188 . 1 1 42 42 ALA N N 15 124.3 0.1 . 1 . . . . 42 ALA N . 19442 1 189 . 1 1 43 43 GLY H H 1 8.32 0.02 . 1 . . . . 43 GLY H . 19442 1 190 . 1 1 43 43 GLY C C 13 174.1 0.1 . 1 . . . . 43 GLY C . 19442 1 191 . 1 1 43 43 GLY CA C 13 45.4 0.1 . 1 . . . . 43 GLY CA . 19442 1 192 . 1 1 43 43 GLY N N 15 108.0 0.1 . 1 . . . . 43 GLY N . 19442 1 193 . 1 1 44 44 GLN H H 1 8.15 0.02 . 1 . . . . 44 GLN H . 19442 1 194 . 1 1 44 44 GLN C C 13 175.6 0.1 . 1 . . . . 44 GLN C . 19442 1 195 . 1 1 44 44 GLN CA C 13 55.5 0.1 . 1 . . . . 44 GLN CA . 19442 1 196 . 1 1 44 44 GLN CB C 13 29.6 0.1 . 1 . . . . 44 GLN CB . 19442 1 197 . 1 1 44 44 GLN N N 15 119.8 0.1 . 1 . . . . 44 GLN N . 19442 1 198 . 1 1 45 45 ALA H H 1 8.36 0.02 . 1 . . . . 45 ALA H . 19442 1 199 . 1 1 45 45 ALA C C 13 177.5 0.1 . 1 . . . . 45 ALA C . 19442 1 200 . 1 1 45 45 ALA CA C 13 52.4 0.1 . 1 . . . . 45 ALA CA . 19442 1 201 . 1 1 45 45 ALA CB C 13 19.3 0.1 . 1 . . . . 45 ALA CB . 19442 1 202 . 1 1 45 45 ALA N N 15 125.7 0.1 . 1 . . . . 45 ALA N . 19442 1 203 . 1 1 46 46 GLU H H 1 8.40 0.02 . 1 . . . . 46 GLU H . 19442 1 204 . 1 1 46 46 GLU C C 13 174.7 0.1 . 1 . . . . 46 GLU C . 19442 1 205 . 1 1 46 46 GLU CA C 13 56.7 0.1 . 1 . . . . 46 GLU CA . 19442 1 206 . 1 1 46 46 GLU CB C 13 30.2 0.1 . 1 . . . . 46 GLU CB . 19442 1 207 . 1 1 46 46 GLU N N 15 121.7 0.1 . 1 . . . . 46 GLU N . 19442 1 stop_ save_