################################### # 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 15410 _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 '3D HNCO' . . . 15410 1 2 '3D HN(CO)CA' . . . 15410 1 3 '3D CBCA(CO)NH' . . . 15410 1 4 '3D iHNCA' . . . 15410 1 5 '3D iHN(CA)CB' . . . 15410 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 1 1 MET C C 13 170.43 0.10 . 1 . . . . 1 MET C . 15410 1 2 . 1 1 1 1 MET CA C 13 54.48 0.10 . 1 . . . . 1 MET CA . 15410 1 3 . 1 1 1 1 MET CB C 13 33.15 0.10 . 1 . . . . 1 MET CB . 15410 1 4 . 1 1 2 2 GLN H H 1 8.93 0.01 . 1 . . . . 2 GLN H . 15410 1 5 . 1 1 2 2 GLN C C 13 175.94 0.10 . 1 . . . . 2 GLN C . 15410 1 6 . 1 1 2 2 GLN CA C 13 55.13 0.10 . 1 . . . . 2 GLN CA . 15410 1 7 . 1 1 2 2 GLN CB C 13 30.64 0.10 . 1 . . . . 2 GLN CB . 15410 1 8 . 1 1 2 2 GLN N N 15 123.16 0.10 . 1 . . . . 2 GLN N . 15410 1 9 . 1 1 3 3 ILE H H 1 8.30 0.01 . 1 . . . . 3 ILE H . 15410 1 10 . 1 1 3 3 ILE C C 13 172.30 0.10 . 1 . . . . 3 ILE C . 15410 1 11 . 1 1 3 3 ILE CA C 13 59.60 0.10 . 1 . . . . 3 ILE CA . 15410 1 12 . 1 1 3 3 ILE CB C 13 42.10 0.10 . 1 . . . . 3 ILE CB . 15410 1 13 . 1 1 3 3 ILE N N 15 115.31 0.10 . 1 . . . . 3 ILE N . 15410 1 14 . 1 1 4 4 PHE H H 1 8.59 0.01 . 1 . . . . 4 PHE H . 15410 1 15 . 1 1 4 4 PHE C C 13 175.17 0.10 . 1 . . . . 4 PHE C . 15410 1 16 . 1 1 4 4 PHE CA C 13 55.14 0.10 . 1 . . . . 4 PHE CA . 15410 1 17 . 1 1 4 4 PHE CB C 13 41.28 0.10 . 1 . . . . 4 PHE CB . 15410 1 18 . 1 1 4 4 PHE N N 15 118.44 0.10 . 1 . . . . 4 PHE N . 15410 1 19 . 1 1 5 5 VAL H H 1 9.31 0.01 . 1 . . . . 5 VAL H . 15410 1 20 . 1 1 5 5 VAL C C 13 174.75 0.10 . 1 . . . . 5 VAL C . 15410 1 21 . 1 1 5 5 VAL CA C 13 60.53 0.10 . 1 . . . . 5 VAL CA . 15410 1 22 . 1 1 5 5 VAL CB C 13 34.21 0.10 . 1 . . . . 5 VAL CB . 15410 1 23 . 1 1 5 5 VAL N N 15 121.33 0.10 . 1 . . . . 5 VAL N . 15410 1 24 . 1 1 6 6 LYS H H 1 8.84 0.01 . 1 . . . . 6 LYS H . 15410 1 25 . 1 1 6 6 LYS C C 13 177.07 0.10 . 1 . . . . 6 LYS C . 15410 1 26 . 1 1 6 6 LYS CA C 13 54.50 0.10 . 1 . . . . 6 LYS CA . 15410 1 27 . 1 1 6 6 LYS CB C 13 34.61 0.10 . 1 . . . . 6 LYS CB . 15410 1 28 . 1 1 6 6 LYS N N 15 127.73 0.10 . 1 . . . . 6 LYS N . 15410 1 29 . 1 1 7 7 THR H H 1 8.74 0.01 . 1 . . . . 7 THR H . 15410 1 30 . 1 1 7 7 THR C C 13 176.87 0.10 . 1 . . . . 7 THR C . 15410 1 31 . 1 1 7 7 THR CA C 13 60.50 0.10 . 1 . . . . 7 THR CA . 15410 1 32 . 1 1 7 7 THR CB C 13 70.46 0.10 . 1 . . . . 7 THR CB . 15410 1 33 . 1 1 7 7 THR N N 15 115.61 0.10 . 1 . . . . 7 THR N . 15410 1 34 . 1 1 8 8 LEU H H 1 9.14 0.01 . 1 . . . . 8 LEU H . 15410 1 35 . 1 1 8 8 LEU C C 13 178.78 0.10 . 1 . . . . 8 LEU C . 15410 1 36 . 1 1 8 8 LEU CA C 13 57.57 0.10 . 1 . . . . 8 LEU CA . 15410 1 37 . 1 1 8 8 LEU CB C 13 41.91 0.10 . 1 . . . . 8 LEU CB . 15410 1 38 . 1 1 8 8 LEU N N 15 121.60 0.10 . 1 . . . . 8 LEU N . 15410 1 39 . 1 1 9 9 THR H H 1 7.63 0.01 . 1 . . . . 9 THR H . 15410 1 40 . 1 1 9 9 THR C C 13 175.45 0.10 . 1 . . . . 9 THR C . 15410 1 41 . 1 1 9 9 THR CA C 13 61.42 0.10 . 1 . . . . 9 THR CA . 15410 1 42 . 1 1 9 9 THR CB C 13 69.02 0.10 . 1 . . . . 9 THR CB . 15410 1 43 . 1 1 9 9 THR N N 15 105.90 0.10 . 1 . . . . 9 THR N . 15410 1 44 . 1 1 10 10 GLY H H 1 7.80 0.01 . 1 . . . . 10 GLY H . 15410 1 45 . 1 1 10 10 GLY C C 13 173.95 0.10 . 1 . . . . 10 GLY C . 15410 1 46 . 1 1 10 10 GLY CA C 13 45.36 0.10 . 1 . . . . 10 GLY CA . 15410 1 47 . 1 1 10 10 GLY N N 15 109.22 0.10 . 1 . . . . 10 GLY N . 15410 1 48 . 1 1 11 11 LYS H H 1 7.27 0.01 . 1 . . . . 11 LYS H . 15410 1 49 . 1 1 11 11 LYS C C 13 175.76 0.10 . 1 . . . . 11 LYS C . 15410 1 50 . 1 1 11 11 LYS CA C 13 56.36 0.10 . 1 . . . . 11 LYS CA . 15410 1 51 . 1 1 11 11 LYS CB C 13 33.34 0.10 . 1 . . . . 11 LYS CB . 15410 1 52 . 1 1 11 11 LYS N N 15 122.02 0.10 . 1 . . . . 11 LYS N . 15410 1 53 . 1 1 12 12 THR H H 1 8.64 0.01 . 1 . . . . 12 THR H . 15410 1 54 . 1 1 12 12 THR C C 13 174.23 0.10 . 1 . . . . 12 THR C . 15410 1 55 . 1 1 12 12 THR CA C 13 62.41 0.10 . 1 . . . . 12 THR CA . 15410 1 56 . 1 1 12 12 THR CB C 13 69.72 0.10 . 1 . . . . 12 THR CB . 15410 1 57 . 1 1 12 12 THR N N 15 120.71 0.10 . 1 . . . . 12 THR N . 15410 1 58 . 1 1 13 13 ILE H H 1 9.50 0.01 . 1 . . . . 13 ILE H . 15410 1 59 . 1 1 13 13 ILE C C 13 175.13 0.10 . 1 . . . . 13 ILE C . 15410 1 60 . 1 1 13 13 ILE CA C 13 60.02 0.10 . 1 . . . . 13 ILE CA . 15410 1 61 . 1 1 13 13 ILE CB C 13 40.80 0.10 . 1 . . . . 13 ILE CB . 15410 1 62 . 1 1 13 13 ILE N N 15 127.77 0.10 . 1 . . . . 13 ILE N . 15410 1 63 . 1 1 14 14 THR H H 1 8.73 0.01 . 1 . . . . 14 THR H . 15410 1 64 . 1 1 14 14 THR C C 13 173.68 0.10 . 1 . . . . 14 THR C . 15410 1 65 . 1 1 14 14 THR CA C 13 62.08 0.10 . 1 . . . . 14 THR CA . 15410 1 66 . 1 1 14 14 THR CB C 13 69.54 0.10 . 1 . . . . 14 THR CB . 15410 1 67 . 1 1 14 14 THR N N 15 121.95 0.10 . 1 . . . . 14 THR N . 15410 1 68 . 1 1 15 15 LEU H H 1 8.71 0.01 . 1 . . . . 15 LEU H . 15410 1 69 . 1 1 15 15 LEU C C 13 174.52 0.10 . 1 . . . . 15 LEU C . 15410 1 70 . 1 1 15 15 LEU CA C 13 52.77 0.10 . 1 . . . . 15 LEU CA . 15410 1 71 . 1 1 15 15 LEU CB C 13 46.90 0.10 . 1 . . . . 15 LEU CB . 15410 1 72 . 1 1 15 15 LEU N N 15 125.16 0.10 . 1 . . . . 15 LEU N . 15410 1 73 . 1 1 16 16 GLU H H 1 8.13 0.01 . 1 . . . . 16 GLU H . 15410 1 74 . 1 1 16 16 GLU C C 13 175.75 0.10 . 1 . . . . 16 GLU C . 15410 1 75 . 1 1 16 16 GLU CA C 13 54.88 0.10 . 1 . . . . 16 GLU CA . 15410 1 76 . 1 1 16 16 GLU CB C 13 29.64 0.10 . 1 . . . . 16 GLU CB . 15410 1 77 . 1 1 16 16 GLU N N 15 122.50 0.10 . 1 . . . . 16 GLU N . 15410 1 78 . 1 1 17 17 VAL H H 1 8.92 0.01 . 1 . . . . 17 VAL H . 15410 1 79 . 1 1 17 17 VAL C C 13 174.02 0.10 . 1 . . . . 17 VAL C . 15410 1 80 . 1 1 17 17 VAL CA C 13 58.43 0.10 . 1 . . . . 17 VAL CA . 15410 1 81 . 1 1 17 17 VAL CB C 13 36.36 0.10 . 1 . . . . 17 VAL CB . 15410 1 82 . 1 1 17 17 VAL N N 15 117.56 0.10 . 1 . . . . 17 VAL N . 15410 1 83 . 1 1 18 18 GLU H H 1 8.63 0.01 . 1 . . . . 18 GLU H . 15410 1 84 . 1 1 18 18 GLU CA C 13 52.72 0.10 . 1 . . . . 18 GLU CA . 15410 1 85 . 1 1 18 18 GLU CB C 13 30.64 0.10 . 1 . . . . 18 GLU CB . 15410 1 86 . 1 1 18 18 GLU N N 15 119.32 0.10 . 1 . . . . 18 GLU N . 15410 1 87 . 1 1 19 19 PRO C C 13 179.84 0.10 . 1 . . . . 19 PRO C . 15410 1 88 . 1 1 19 19 PRO CA C 13 65.30 0.10 . 1 . . . . 19 PRO CA . 15410 1 89 . 1 1 19 19 PRO CB C 13 31.86 0.10 . 1 . . . . 19 PRO CB . 15410 1 90 . 1 1 20 20 SER H H 1 7.03 0.01 . 1 . . . . 20 SER H . 15410 1 91 . 1 1 20 20 SER C C 13 174.56 0.10 . 1 . . . . 20 SER C . 15410 1 92 . 1 1 20 20 SER CA C 13 57.40 0.10 . 1 . . . . 20 SER CA . 15410 1 93 . 1 1 20 20 SER CB C 13 63.36 0.10 . 1 . . . . 20 SER CB . 15410 1 94 . 1 1 20 20 SER N N 15 103.54 0.10 . 1 . . . . 20 SER N . 15410 1 95 . 1 1 21 21 ASP H H 1 8.04 0.01 . 1 . . . . 21 ASP H . 15410 1 96 . 1 1 21 21 ASP C C 13 176.26 0.10 . 1 . . . . 21 ASP C . 15410 1 97 . 1 1 21 21 ASP CA C 13 55.81 0.10 . 1 . . . . 21 ASP CA . 15410 1 98 . 1 1 21 21 ASP CB C 13 40.81 0.10 . 1 . . . . 21 ASP CB . 15410 1 99 . 1 1 21 21 ASP N N 15 123.90 0.10 . 1 . . . . 21 ASP N . 15410 1 100 . 1 1 22 22 THR H H 1 7.90 0.01 . 1 . . . . 22 THR H . 15410 1 101 . 1 1 22 22 THR C C 13 176.67 0.10 . 1 . . . . 22 THR C . 15410 1 102 . 1 1 22 22 THR CA C 13 59.70 0.10 . 1 . . . . 22 THR CA . 15410 1 103 . 1 1 22 22 THR CB C 13 71.20 0.10 . 1 . . . . 22 THR CB . 15410 1 104 . 1 1 22 22 THR N N 15 109.10 0.10 . 1 . . . . 22 THR N . 15410 1 105 . 1 1 23 23 ILE H H 1 8.53 0.01 . 1 . . . . 23 ILE H . 15410 1 106 . 1 1 23 23 ILE CA C 13 62.33 0.10 . 1 . . . . 23 ILE CA . 15410 1 107 . 1 1 23 23 ILE CB C 13 34.48 0.10 . 1 . . . . 23 ILE CB . 15410 1 108 . 1 1 23 23 ILE N N 15 121.35 0.10 . 1 . . . . 23 ILE N . 15410 1 109 . 1 1 24 24 GLU C C 13 178.77 0.10 . 1 . . . . 24 GLU C . 15410 1 110 . 1 1 24 24 GLU CA C 13 60.55 0.10 . 1 . . . . 24 GLU CA . 15410 1 111 . 1 1 24 24 GLU CB C 13 28.49 0.10 . 1 . . . . 24 GLU CB . 15410 1 112 . 1 1 25 25 ASN H H 1 7.92 0.01 . 1 . . . . 25 ASN H . 15410 1 113 . 1 1 25 25 ASN C C 13 178.27 0.10 . 1 . . . . 25 ASN C . 15410 1 114 . 1 1 25 25 ASN CA C 13 56.05 0.10 . 1 . . . . 25 ASN CA . 15410 1 115 . 1 1 25 25 ASN CB C 13 38.47 0.10 . 1 . . . . 25 ASN CB . 15410 1 116 . 1 1 25 25 ASN N N 15 121.22 0.10 . 1 . . . . 25 ASN N . 15410 1 117 . 1 1 26 26 VAL H H 1 8.09 0.01 . 1 . . . . 26 VAL H . 15410 1 118 . 1 1 26 26 VAL C C 13 177.85 0.10 . 1 . . . . 26 VAL C . 15410 1 119 . 1 1 26 26 VAL CA C 13 67.63 0.10 . 1 . . . . 26 VAL CA . 15410 1 120 . 1 1 26 26 VAL CB C 13 30.79 0.10 . 1 . . . . 26 VAL CB . 15410 1 121 . 1 1 26 26 VAL N N 15 122.11 0.10 . 1 . . . . 26 VAL N . 15410 1 122 . 1 1 27 27 LYS H H 1 8.55 0.01 . 1 . . . . 27 LYS H . 15410 1 123 . 1 1 27 27 LYS C C 13 180.45 0.10 . 1 . . . . 27 LYS C . 15410 1 124 . 1 1 27 27 LYS CA C 13 59.21 0.10 . 1 . . . . 27 LYS CA . 15410 1 125 . 1 1 27 27 LYS CB C 13 33.67 0.10 . 1 . . . . 27 LYS CB . 15410 1 126 . 1 1 27 27 LYS N N 15 119.08 0.10 . 1 . . . . 27 LYS N . 15410 1 127 . 1 1 28 28 ALA H H 1 8.01 0.01 . 1 . . . . 28 ALA H . 15410 1 128 . 1 1 28 28 ALA C C 13 180.19 0.10 . 1 . . . . 28 ALA C . 15410 1 129 . 1 1 28 28 ALA CA C 13 55.40 0.10 . 1 . . . . 28 ALA CA . 15410 1 130 . 1 1 28 28 ALA CB C 13 17.72 0.10 . 1 . . . . 28 ALA CB . 15410 1 131 . 1 1 28 28 ALA N N 15 123.65 0.10 . 1 . . . . 28 ALA N . 15410 1 132 . 1 1 29 29 LYS H H 1 7.85 0.01 . 1 . . . . 29 LYS H . 15410 1 133 . 1 1 29 29 LYS C C 13 180.25 0.10 . 1 . . . . 29 LYS C . 15410 1 134 . 1 1 29 29 LYS CA C 13 59.76 0.10 . 1 . . . . 29 LYS CA . 15410 1 135 . 1 1 29 29 LYS CB C 13 33.33 0.10 . 1 . . . . 29 LYS CB . 15410 1 136 . 1 1 29 29 LYS N N 15 120.28 0.10 . 1 . . . . 29 LYS N . 15410 1 137 . 1 1 30 30 ILE H H 1 8.27 0.01 . 1 . . . . 30 ILE H . 15410 1 138 . 1 1 30 30 ILE C C 13 178.16 0.10 . 1 . . . . 30 ILE C . 15410 1 139 . 1 1 30 30 ILE CA C 13 66.10 0.10 . 1 . . . . 30 ILE CA . 15410 1 140 . 1 1 30 30 ILE CB C 13 36.76 0.10 . 1 . . . . 30 ILE CB . 15410 1 141 . 1 1 30 30 ILE N N 15 121.40 0.10 . 1 . . . . 30 ILE N . 15410 1 142 . 1 1 31 31 GLN H H 1 8.56 0.01 . 1 . . . . 31 GLN H . 15410 1 143 . 1 1 31 31 GLN C C 13 178.80 0.10 . 1 . . . . 31 GLN C . 15410 1 144 . 1 1 31 31 GLN CA C 13 60.02 0.10 . 1 . . . . 31 GLN CA . 15410 1 145 . 1 1 31 31 GLN CB C 13 27.69 0.10 . 1 . . . . 31 GLN CB . 15410 1 146 . 1 1 31 31 GLN N N 15 123.70 0.10 . 1 . . . . 31 GLN N . 15410 1 147 . 1 1 32 32 ASP H H 1 8.01 0.01 . 1 . . . . 32 ASP H . 15410 1 148 . 1 1 32 32 ASP C C 13 177.24 0.10 . 1 . . . . 32 ASP C . 15410 1 149 . 1 1 32 32 ASP CA C 13 57.36 0.10 . 1 . . . . 32 ASP CA . 15410 1 150 . 1 1 32 32 ASP CB C 13 40.88 0.10 . 1 . . . . 32 ASP CB . 15410 1 151 . 1 1 32 32 ASP N N 15 119.76 0.10 . 1 . . . . 32 ASP N . 15410 1 152 . 1 1 33 33 LYS H H 1 7.42 0.01 . 1 . . . . 33 LYS H . 15410 1 153 . 1 1 33 33 LYS C C 13 177.79 0.10 . 1 . . . . 33 LYS C . 15410 1 154 . 1 1 33 33 LYS CA C 13 58.10 0.10 . 1 . . . . 33 LYS CA . 15410 1 155 . 1 1 33 33 LYS CB C 13 34.04 0.10 . 1 . . . . 33 LYS CB . 15410 1 156 . 1 1 33 33 LYS N N 15 115.45 0.10 . 1 . . . . 33 LYS N . 15410 1 157 . 1 1 34 34 GLU H H 1 8.72 0.01 . 1 . . . . 34 GLU H . 15410 1 158 . 1 1 34 34 GLU C C 13 177.82 0.10 . 1 . . . . 34 GLU C . 15410 1 159 . 1 1 34 34 GLU CA C 13 55.29 0.10 . 1 . . . . 34 GLU CA . 15410 1 160 . 1 1 34 34 GLU CB C 13 33.08 0.10 . 1 . . . . 34 GLU CB . 15410 1 161 . 1 1 34 34 GLU N N 15 114.27 0.10 . 1 . . . . 34 GLU N . 15410 1 162 . 1 1 35 35 GLY H H 1 8.51 0.01 . 1 . . . . 35 GLY H . 15410 1 163 . 1 1 35 35 GLY C C 13 173.87 0.10 . 1 . . . . 35 GLY C . 15410 1 164 . 1 1 35 35 GLY CA C 13 46.05 0.10 . 1 . . . . 35 GLY CA . 15410 1 165 . 1 1 35 35 GLY N N 15 108.96 0.10 . 1 . . . . 35 GLY N . 15410 1 166 . 1 1 36 36 ILE H H 1 6.14 0.01 . 1 . . . . 36 ILE H . 15410 1 167 . 1 1 36 36 ILE CA C 13 57.75 0.10 . 1 . . . . 36 ILE CA . 15410 1 168 . 1 1 36 36 ILE CB C 13 40.50 0.10 . 1 . . . . 36 ILE CB . 15410 1 169 . 1 1 36 36 ILE N N 15 120.30 0.10 . 1 . . . . 36 ILE N . 15410 1 170 . 1 1 38 38 PRO C C 13 178.23 0.10 . 1 . . . . 38 PRO C . 15410 1 171 . 1 1 38 38 PRO CA C 13 66.14 0.10 . 1 . . . . 38 PRO CA . 15410 1 172 . 1 1 38 38 PRO CB C 13 32.83 0.10 . 1 . . . . 38 PRO CB . 15410 1 173 . 1 1 39 39 ASP H H 1 8.54 0.01 . 1 . . . . 39 ASP H . 15410 1 174 . 1 1 39 39 ASP C C 13 177.01 0.10 . 1 . . . . 39 ASP C . 15410 1 175 . 1 1 39 39 ASP CA C 13 55.77 0.10 . 1 . . . . 39 ASP CA . 15410 1 176 . 1 1 39 39 ASP CB C 13 39.70 0.10 . 1 . . . . 39 ASP CB . 15410 1 177 . 1 1 39 39 ASP N N 15 113.62 0.10 . 1 . . . . 39 ASP N . 15410 1 178 . 1 1 40 40 GLN H H 1 7.81 0.01 . 1 . . . . 40 GLN H . 15410 1 179 . 1 1 40 40 GLN C C 13 175.34 0.10 . 1 . . . . 40 GLN C . 15410 1 180 . 1 1 40 40 GLN CA C 13 55.61 0.10 . 1 . . . . 40 GLN CA . 15410 1 181 . 1 1 40 40 GLN CB C 13 30.08 0.10 . 1 . . . . 40 GLN CB . 15410 1 182 . 1 1 40 40 GLN N N 15 116.98 0.10 . 1 . . . . 40 GLN N . 15410 1 183 . 1 1 41 41 GLN H H 1 7.48 0.01 . 1 . . . . 41 GLN H . 15410 1 184 . 1 1 41 41 GLN C C 13 176.16 0.10 . 1 . . . . 41 GLN C . 15410 1 185 . 1 1 41 41 GLN CA C 13 56.63 0.10 . 1 . . . . 41 GLN CA . 15410 1 186 . 1 1 41 41 GLN CB C 13 31.56 0.10 . 1 . . . . 41 GLN CB . 15410 1 187 . 1 1 41 41 GLN N N 15 118.09 0.10 . 1 . . . . 41 GLN N . 15410 1 188 . 1 1 42 42 ARG H H 1 8.51 0.01 . 1 . . . . 42 ARG H . 15410 1 189 . 1 1 42 42 ARG C C 13 173.89 0.10 . 1 . . . . 42 ARG C . 15410 1 190 . 1 1 42 42 ARG CA C 13 55.11 0.10 . 1 . . . . 42 ARG CA . 15410 1 191 . 1 1 42 42 ARG CB C 13 31.72 0.10 . 1 . . . . 42 ARG CB . 15410 1 192 . 1 1 42 42 ARG N N 15 123.02 0.10 . 1 . . . . 42 ARG N . 15410 1 193 . 1 1 43 43 LEU H H 1 8.83 0.01 . 1 . . . . 43 LEU H . 15410 1 194 . 1 1 43 43 LEU C C 13 175.21 0.10 . 1 . . . . 43 LEU C . 15410 1 195 . 1 1 43 43 LEU CA C 13 53.02 0.10 . 1 . . . . 43 LEU CA . 15410 1 196 . 1 1 43 43 LEU CB C 13 45.69 0.10 . 1 . . . . 43 LEU CB . 15410 1 197 . 1 1 43 43 LEU N N 15 124.41 0.10 . 1 . . . . 43 LEU N . 15410 1 198 . 1 1 44 44 ILE H H 1 9.05 0.01 . 1 . . . . 44 ILE H . 15410 1 199 . 1 1 44 44 ILE C C 13 175.92 0.10 . 1 . . . . 44 ILE C . 15410 1 200 . 1 1 44 44 ILE CA C 13 58.94 0.10 . 1 . . . . 44 ILE CA . 15410 1 201 . 1 1 44 44 ILE CB C 13 41.21 0.10 . 1 . . . . 44 ILE CB . 15410 1 202 . 1 1 44 44 ILE N N 15 122.20 0.10 . 1 . . . . 44 ILE N . 15410 1 203 . 1 1 45 45 PHE H H 1 8.83 0.01 . 1 . . . . 45 PHE H . 15410 1 204 . 1 1 45 45 PHE C C 13 174.44 0.10 . 1 . . . . 45 PHE C . 15410 1 205 . 1 1 45 45 PHE CA C 13 56.82 0.10 . 1 . . . . 45 PHE CA . 15410 1 206 . 1 1 45 45 PHE CB C 13 43.71 0.10 . 1 . . . . 45 PHE CB . 15410 1 207 . 1 1 45 45 PHE N N 15 125.49 0.10 . 1 . . . . 45 PHE N . 15410 1 208 . 1 1 46 46 ALA H H 1 8.84 0.01 . 1 . . . . 46 ALA H . 15410 1 209 . 1 1 46 46 ALA C C 13 177.22 0.10 . 1 . . . . 46 ALA C . 15410 1 210 . 1 1 46 46 ALA CA C 13 52.57 0.10 . 1 . . . . 46 ALA CA . 15410 1 211 . 1 1 46 46 ALA CB C 13 16.53 0.10 . 1 . . . . 46 ALA CB . 15410 1 212 . 1 1 46 46 ALA N N 15 132.61 0.10 . 1 . . . . 46 ALA N . 15410 1 213 . 1 1 47 47 GLY H H 1 8.12 0.01 . 1 . . . . 47 GLY H . 15410 1 214 . 1 1 47 47 GLY C C 13 173.68 0.10 . 1 . . . . 47 GLY C . 15410 1 215 . 1 1 47 47 GLY CA C 13 45.38 0.10 . 1 . . . . 47 GLY CA . 15410 1 216 . 1 1 47 47 GLY N N 15 102.53 0.10 . 1 . . . . 47 GLY N . 15410 1 217 . 1 1 48 48 LYS H H 1 7.97 0.01 . 1 . . . . 48 LYS H . 15410 1 218 . 1 1 48 48 LYS C C 13 174.56 0.10 . 1 . . . . 48 LYS C . 15410 1 219 . 1 1 48 48 LYS CA C 13 54.60 0.10 . 1 . . . . 48 LYS CA . 15410 1 220 . 1 1 48 48 LYS CB C 13 34.46 0.10 . 1 . . . . 48 LYS CB . 15410 1 221 . 1 1 48 48 LYS N N 15 121.91 0.10 . 1 . . . . 48 LYS N . 15410 1 222 . 1 1 49 49 GLN H H 1 8.61 0.01 . 1 . . . . 49 GLN H . 15410 1 223 . 1 1 49 49 GLN C C 13 175.55 0.10 . 1 . . . . 49 GLN C . 15410 1 224 . 1 1 49 49 GLN CA C 13 55.81 0.10 . 1 . . . . 49 GLN CA . 15410 1 225 . 1 1 49 49 GLN CB C 13 29.09 0.10 . 1 . . . . 49 GLN CB . 15410 1 226 . 1 1 49 49 GLN N N 15 122.87 0.10 . 1 . . . . 49 GLN N . 15410 1 227 . 1 1 50 50 LEU H H 1 8.54 0.01 . 1 . . . . 50 LEU H . 15410 1 228 . 1 1 50 50 LEU C C 13 176.57 0.10 . 1 . . . . 50 LEU C . 15410 1 229 . 1 1 50 50 LEU CA C 13 54.25 0.10 . 1 . . . . 50 LEU CA . 15410 1 230 . 1 1 50 50 LEU CB C 13 41.33 0.10 . 1 . . . . 50 LEU CB . 15410 1 231 . 1 1 50 50 LEU N N 15 125.81 0.10 . 1 . . . . 50 LEU N . 15410 1 232 . 1 1 51 51 GLU H H 1 8.39 0.01 . 1 . . . . 51 GLU H . 15410 1 233 . 1 1 51 51 GLU C C 13 175.56 0.10 . 1 . . . . 51 GLU C . 15410 1 234 . 1 1 51 51 GLU CA C 13 55.96 0.10 . 1 . . . . 51 GLU CA . 15410 1 235 . 1 1 51 51 GLU CB C 13 31.77 0.10 . 1 . . . . 51 GLU CB . 15410 1 236 . 1 1 51 51 GLU N N 15 123.23 0.10 . 1 . . . . 51 GLU N . 15410 1 237 . 1 1 52 52 ASP H H 1 8.15 0.01 . 1 . . . . 52 ASP H . 15410 1 238 . 1 1 52 52 ASP CA C 13 56.71 0.10 . 1 . . . . 52 ASP CA . 15410 1 239 . 1 1 52 52 ASP CB C 13 40.73 0.10 . 1 . . . . 52 ASP CB . 15410 1 240 . 1 1 52 52 ASP N N 15 120.38 0.10 . 1 . . . . 52 ASP N . 15410 1 241 . 1 1 53 53 GLY C C 13 174.74 0.10 . 1 . . . . 53 GLY C . 15410 1 242 . 1 1 53 53 GLY CA C 13 45.17 0.10 . 1 . . . . 53 GLY CA . 15410 1 243 . 1 1 54 54 ARG H H 1 7.45 0.01 . 1 . . . . 54 ARG H . 15410 1 244 . 1 1 54 54 ARG C C 13 175.27 0.10 . 1 . . . . 54 ARG C . 15410 1 245 . 1 1 54 54 ARG CA C 13 54.29 0.10 . 1 . . . . 54 ARG CA . 15410 1 246 . 1 1 54 54 ARG CB C 13 32.69 0.10 . 1 . . . . 54 ARG CB . 15410 1 247 . 1 1 54 54 ARG N N 15 119.38 0.10 . 1 . . . . 54 ARG N . 15410 1 248 . 1 1 55 55 THR H H 1 8.78 0.01 . 1 . . . . 55 THR H . 15410 1 249 . 1 1 55 55 THR C C 13 176.46 0.10 . 1 . . . . 55 THR C . 15410 1 250 . 1 1 55 55 THR CA C 13 59.70 0.10 . 1 . . . . 55 THR CA . 15410 1 251 . 1 1 55 55 THR CB C 13 72.28 0.10 . 1 . . . . 55 THR CB . 15410 1 252 . 1 1 55 55 THR N N 15 108.82 0.10 . 1 . . . . 55 THR N . 15410 1 253 . 1 1 56 56 LEU H H 1 8.14 0.01 . 1 . . . . 56 LEU H . 15410 1 254 . 1 1 56 56 LEU C C 13 180.74 0.10 . 1 . . . . 56 LEU C . 15410 1 255 . 1 1 56 56 LEU CA C 13 58.68 0.10 . 1 . . . . 56 LEU CA . 15410 1 256 . 1 1 56 56 LEU CB C 13 40.25 0.10 . 1 . . . . 56 LEU CB . 15410 1 257 . 1 1 56 56 LEU N N 15 118.13 0.10 . 1 . . . . 56 LEU N . 15410 1 258 . 1 1 57 57 SER H H 1 8.47 0.01 . 1 . . . . 57 SER H . 15410 1 259 . 1 1 57 57 SER C C 13 178.25 0.10 . 1 . . . . 57 SER C . 15410 1 260 . 1 1 57 57 SER CA C 13 61.12 0.10 . 1 . . . . 57 SER CA . 15410 1 261 . 1 1 57 57 SER CB C 13 62.45 0.10 . 1 . . . . 57 SER CB . 15410 1 262 . 1 1 57 57 SER N N 15 113.70 0.10 . 1 . . . . 57 SER N . 15410 1 263 . 1 1 58 58 ASP H H 1 7.93 0.01 . 1 . . . . 58 ASP H . 15410 1 264 . 1 1 58 58 ASP C C 13 177.36 0.10 . 1 . . . . 58 ASP C . 15410 1 265 . 1 1 58 58 ASP CA C 13 57.35 0.10 . 1 . . . . 58 ASP CA . 15410 1 266 . 1 1 58 58 ASP CB C 13 40.25 0.10 . 1 . . . . 58 ASP CB . 15410 1 267 . 1 1 58 58 ASP N N 15 124.57 0.10 . 1 . . . . 58 ASP N . 15410 1 268 . 1 1 59 59 TYR H H 1 7.25 0.01 . 1 . . . . 59 TYR H . 15410 1 269 . 1 1 59 59 TYR C C 13 174.61 0.10 . 1 . . . . 59 TYR C . 15410 1 270 . 1 1 59 59 TYR CA C 13 58.26 0.10 . 1 . . . . 59 TYR CA . 15410 1 271 . 1 1 59 59 TYR CB C 13 39.98 0.10 . 1 . . . . 59 TYR CB . 15410 1 272 . 1 1 59 59 TYR N N 15 115.83 0.10 . 1 . . . . 59 TYR N . 15410 1 273 . 1 1 60 60 ASN H H 1 8.15 0.01 . 1 . . . . 60 ASN H . 15410 1 274 . 1 1 60 60 ASN C C 13 174.24 0.10 . 1 . . . . 60 ASN C . 15410 1 275 . 1 1 60 60 ASN CA C 13 54.14 0.10 . 1 . . . . 60 ASN CA . 15410 1 276 . 1 1 60 60 ASN CB C 13 37.39 0.10 . 1 . . . . 60 ASN CB . 15410 1 277 . 1 1 60 60 ASN N N 15 116.14 0.10 . 1 . . . . 60 ASN N . 15410 1 278 . 1 1 61 61 ILE H H 1 7.24 0.01 . 1 . . . . 61 ILE H . 15410 1 279 . 1 1 61 61 ILE C C 13 174.48 0.10 . 1 . . . . 61 ILE C . 15410 1 280 . 1 1 61 61 ILE CA C 13 62.42 0.10 . 1 . . . . 61 ILE CA . 15410 1 281 . 1 1 61 61 ILE CB C 13 36.66 0.10 . 1 . . . . 61 ILE CB . 15410 1 282 . 1 1 61 61 ILE N N 15 118.93 0.10 . 1 . . . . 61 ILE N . 15410 1 283 . 1 1 62 62 GLN H H 1 7.61 0.01 . 1 . . . . 62 GLN H . 15410 1 284 . 1 1 62 62 GLN C C 13 175.80 0.10 . 1 . . . . 62 GLN C . 15410 1 285 . 1 1 62 62 GLN CA C 13 53.62 0.10 . 1 . . . . 62 GLN CA . 15410 1 286 . 1 1 62 62 GLN CB C 13 31.61 0.10 . 1 . . . . 62 GLN CB . 15410 1 287 . 1 1 62 62 GLN N N 15 125.01 0.10 . 1 . . . . 62 GLN N . 15410 1 288 . 1 1 63 63 LYS H H 1 8.50 0.01 . 1 . . . . 63 LYS H . 15410 1 289 . 1 1 63 63 LYS C C 13 175.70 0.10 . 1 . . . . 63 LYS C . 15410 1 290 . 1 1 63 63 LYS CA C 13 57.86 0.10 . 1 . . . . 63 LYS CA . 15410 1 291 . 1 1 63 63 LYS CB C 13 32.59 0.10 . 1 . . . . 63 LYS CB . 15410 1 292 . 1 1 63 63 LYS N N 15 120.67 0.10 . 1 . . . . 63 LYS N . 15410 1 293 . 1 1 64 64 GLU H H 1 9.30 0.01 . 1 . . . . 64 GLU H . 15410 1 294 . 1 1 64 64 GLU C C 13 175.16 0.10 . 1 . . . . 64 GLU C . 15410 1 295 . 1 1 64 64 GLU CA C 13 58.23 0.10 . 1 . . . . 64 GLU CA . 15410 1 296 . 1 1 64 64 GLU CB C 13 25.98 0.10 . 1 . . . . 64 GLU CB . 15410 1 297 . 1 1 64 64 GLU N N 15 114.47 0.10 . 1 . . . . 64 GLU N . 15410 1 298 . 1 1 65 65 SER H H 1 7.66 0.01 . 1 . . . . 65 SER H . 15410 1 299 . 1 1 65 65 SER C C 13 172.03 0.10 . 1 . . . . 65 SER C . 15410 1 300 . 1 1 65 65 SER CA C 13 60.94 0.10 . 1 . . . . 65 SER CA . 15410 1 301 . 1 1 65 65 SER CB C 13 64.89 0.10 . 1 . . . . 65 SER CB . 15410 1 302 . 1 1 65 65 SER N N 15 115.03 0.10 . 1 . . . . 65 SER N . 15410 1 303 . 1 1 66 66 THR H H 1 8.73 0.01 . 1 . . . . 66 THR H . 15410 1 304 . 1 1 66 66 THR C C 13 173.80 0.10 . 1 . . . . 66 THR C . 15410 1 305 . 1 1 66 66 THR CA C 13 62.44 0.10 . 1 . . . . 66 THR CA . 15410 1 306 . 1 1 66 66 THR CB C 13 70.08 0.10 . 1 . . . . 66 THR CB . 15410 1 307 . 1 1 66 66 THR N N 15 117.41 0.10 . 1 . . . . 66 THR N . 15410 1 308 . 1 1 67 67 LEU H H 1 9.41 0.01 . 1 . . . . 67 LEU H . 15410 1 309 . 1 1 67 67 LEU C C 13 175.54 0.10 . 1 . . . . 67 LEU C . 15410 1 310 . 1 1 67 67 LEU CA C 13 53.84 0.10 . 1 . . . . 67 LEU CA . 15410 1 311 . 1 1 67 67 LEU CB C 13 44.31 0.10 . 1 . . . . 67 LEU CB . 15410 1 312 . 1 1 67 67 LEU N N 15 127.56 0.10 . 1 . . . . 67 LEU N . 15410 1 313 . 1 1 68 68 HIS H H 1 9.21 0.01 . 1 . . . . 68 HIS H . 15410 1 314 . 1 1 68 68 HIS C C 13 173.22 0.10 . 1 . . . . 68 HIS C . 15410 1 315 . 1 1 68 68 HIS CA C 13 55.42 0.10 . 1 . . . . 68 HIS CA . 15410 1 316 . 1 1 68 68 HIS CB C 13 31.20 0.10 . 1 . . . . 68 HIS CB . 15410 1 317 . 1 1 68 68 HIS N N 15 118.79 0.10 . 1 . . . . 68 HIS N . 15410 1 318 . 1 1 69 69 LEU H H 1 8.31 0.01 . 1 . . . . 69 LEU H . 15410 1 319 . 1 1 69 69 LEU C C 13 175.24 0.10 . 1 . . . . 69 LEU C . 15410 1 320 . 1 1 69 69 LEU CA C 13 53.88 0.10 . 1 . . . . 69 LEU CA . 15410 1 321 . 1 1 69 69 LEU CB C 13 44.27 0.10 . 1 . . . . 69 LEU CB . 15410 1 322 . 1 1 69 69 LEU N N 15 124.46 0.10 . 1 . . . . 69 LEU N . 15410 1 323 . 1 1 70 70 VAL H H 1 9.19 0.01 . 1 . . . . 70 VAL H . 15410 1 324 . 1 1 70 70 VAL C C 13 173.93 0.10 . 1 . . . . 70 VAL C . 15410 1 325 . 1 1 70 70 VAL CA C 13 60.66 0.10 . 1 . . . . 70 VAL CA . 15410 1 326 . 1 1 70 70 VAL CB C 13 34.84 0.10 . 1 . . . . 70 VAL CB . 15410 1 327 . 1 1 70 70 VAL N N 15 126.99 0.10 . 1 . . . . 70 VAL N . 15410 1 328 . 1 1 71 71 LEU H H 1 8.12 0.01 . 1 . . . . 71 LEU H . 15410 1 329 . 1 1 71 71 LEU C C 13 177.79 0.10 . 1 . . . . 71 LEU C . 15410 1 330 . 1 1 71 71 LEU CA C 13 54.00 0.10 . 1 . . . . 71 LEU CA . 15410 1 331 . 1 1 71 71 LEU CB C 13 42.80 0.10 . 1 . . . . 71 LEU CB . 15410 1 332 . 1 1 71 71 LEU N N 15 123.27 0.10 . 1 . . . . 71 LEU N . 15410 1 333 . 1 1 72 72 ARG H H 1 8.59 0.01 . 1 . . . . 72 ARG H . 15410 1 334 . 1 1 72 72 ARG C C 13 175.28 0.10 . 1 . . . . 72 ARG C . 15410 1 335 . 1 1 72 72 ARG CA C 13 55.71 0.10 . 1 . . . . 72 ARG CA . 15410 1 336 . 1 1 72 72 ARG CB C 13 31.34 0.10 . 1 . . . . 72 ARG CB . 15410 1 337 . 1 1 72 72 ARG N N 15 123.81 0.10 . 1 . . . . 72 ARG N . 15410 1 338 . 1 1 73 73 LEU H H 1 8.34 0.01 . 1 . . . . 73 LEU H . 15410 1 339 . 1 1 73 73 LEU C C 13 177.39 0.10 . 1 . . . . 73 LEU C . 15410 1 340 . 1 1 73 73 LEU CA C 13 54.83 0.10 . 1 . . . . 73 LEU CA . 15410 1 341 . 1 1 73 73 LEU CB C 13 42.46 0.10 . 1 . . . . 73 LEU CB . 15410 1 342 . 1 1 73 73 LEU N N 15 124.56 0.10 . 1 . . . . 73 LEU N . 15410 1 343 . 1 1 74 74 ARG H H 1 8.42 0.01 . 1 . . . . 74 ARG H . 15410 1 344 . 1 1 74 74 ARG C C 13 176.84 0.10 . 1 . . . . 74 ARG C . 15410 1 345 . 1 1 74 74 ARG CA C 13 56.64 0.10 . 1 . . . . 74 ARG CA . 15410 1 346 . 1 1 74 74 ARG CB C 13 30.59 0.10 . 1 . . . . 74 ARG CB . 15410 1 347 . 1 1 74 74 ARG N N 15 121.94 0.10 . 1 . . . . 74 ARG N . 15410 1 348 . 1 1 75 75 GLY H H 1 8.47 0.01 . 1 . . . . 75 GLY H . 15410 1 349 . 1 1 75 75 GLY C C 13 173.58 0.10 . 1 . . . . 75 GLY C . 15410 1 350 . 1 1 75 75 GLY CA C 13 45.24 0.10 . 1 . . . . 75 GLY CA . 15410 1 351 . 1 1 75 75 GLY N N 15 111.16 0.10 . 1 . . . . 75 GLY N . 15410 1 352 . 1 1 76 76 GLY H H 1 7.93 0.01 . 1 . . . . 76 GLY H . 15410 1 353 . 1 1 76 76 GLY CA C 13 46.03 0.10 . 1 . . . . 76 GLY CA . 15410 1 354 . 1 1 76 76 GLY N N 15 115.08 0.10 . 1 . . . . 76 GLY N . 15410 1 stop_ save_