################################### # 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 18731 _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 DARR . . . 18731 1 2 NCACB . . . 18731 1 3 NCACX . . . 18731 1 4 CANCO . . . 18731 1 5 NCOCA . . . 18731 1 6 NCO . . . 18731 1 7 NCA . . . 18731 1 8 CCC . . . 18731 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 11 11 PRO CA C 13 64.820 0.119 . 1 . . . . . 3 PRO CA . 18731 1 2 . 1 . 1 11 11 PRO CB C 13 32.836 0.101 . 1 . . . . . 3 PRO CB . 18731 1 3 . 1 . 1 11 11 PRO CG C 13 27.372 0.003 . 1 . . . . . 3 PRO CG . 18731 1 4 . 1 . 1 11 11 PRO CD C 13 51.180 0.082 . 1 . . . . . 3 PRO CD . 18731 1 5 . 1 . 1 11 11 PRO N N 15 139.035 0.102 . 1 . . . . . 3 PRO N . 18731 1 6 . 1 . 1 16 16 GLN CA C 13 57.967 0.011 . 1 . . . . . 8 GLN CA . 18731 1 7 . 1 . 1 17 17 VAL C C 13 177.686 0.095 . 1 . . . . . 9 VAL C . 18731 1 8 . 1 . 1 17 17 VAL CA C 13 65.271 0.133 . 1 . . . . . 9 VAL CA . 18731 1 9 . 1 . 1 17 17 VAL CB C 13 31.342 0.07 . 1 . . . . . 9 VAL CB . 18731 1 10 . 1 . 1 17 17 VAL CG1 C 13 22.580 0.05 . 2 . . . . . 9 VAL CG1 . 18731 1 11 . 1 . 1 17 17 VAL CG2 C 13 23.833 0.078 . 2 . . . . . 9 VAL CG2 . 18731 1 12 . 1 . 1 17 17 VAL N N 15 116.406 0.323 . 1 . . . . . 9 VAL N . 18731 1 13 . 1 . 1 18 18 LEU C C 13 177.891 0.04 . 1 . . . . . 10 LEU C . 18731 1 14 . 1 . 1 18 18 LEU CA C 13 57.668 0.114 . 1 . . . . . 10 LEU CA . 18731 1 15 . 1 . 1 18 18 LEU CB C 13 41.043 0.188 . 1 . . . . . 10 LEU CB . 18731 1 16 . 1 . 1 18 18 LEU CG C 13 27.215 0.19 . 1 . . . . . 10 LEU CG . 18731 1 17 . 1 . 1 18 18 LEU CD2 C 13 22.888 0.146 . 1 . . . . . 10 LEU CD2 . 18731 1 18 . 1 . 1 18 18 LEU N N 15 119.042 0.427 . 1 . . . . . 10 LEU N . 18731 1 19 . 1 . 1 19 19 THR C C 13 176.966 0.103 . 1 . . . . . 11 THR C . 18731 1 20 . 1 . 1 19 19 THR CA C 13 67.132 0.154 . 1 . . . . . 11 THR CA . 18731 1 21 . 1 . 1 19 19 THR CB C 13 68.405 0.126 . 1 . . . . . 11 THR CB . 18731 1 22 . 1 . 1 19 19 THR CG2 C 13 21.586 0.08 . 1 . . . . . 11 THR CG2 . 18731 1 23 . 1 . 1 19 19 THR N N 15 116.639 0.437 . 1 . . . . . 11 THR N . 18731 1 24 . 1 . 1 20 20 GLY C C 13 174.968 0.072 . 1 . . . . . 12 GLY C . 18731 1 25 . 1 . 1 20 20 GLY CA C 13 48.367 0.119 . 1 . . . . . 12 GLY CA . 18731 1 26 . 1 . 1 20 20 GLY N N 15 107.496 0.193 . 1 . . . . . 12 GLY N . 18731 1 27 . 1 . 1 21 21 LYS C C 13 178.423 0.078 . 1 . . . . . 13 LYS C . 18731 1 28 . 1 . 1 21 21 LYS CA C 13 56.075 0.123 . 1 . . . . . 13 LYS CA . 18731 1 29 . 1 . 1 21 21 LYS CB C 13 32.950 0.089 . 1 . . . . . 13 LYS CB . 18731 1 30 . 1 . 1 21 21 LYS CG C 13 26.292 0.019 . 1 . . . . . 13 LYS CG . 18731 1 31 . 1 . 1 21 21 LYS CD C 13 30.451 0.19 . 1 . . . . . 13 LYS CD . 18731 1 32 . 1 . 1 21 21 LYS N N 15 124.023 0.127 . 1 . . . . . 13 LYS N . 18731 1 33 . 1 . 1 24 24 MET C C 13 176.277 0.184 . 1 . . . . . 16 MET C . 18731 1 34 . 1 . 1 24 24 MET CA C 13 59.910 0.137 . 1 . . . . . 16 MET CA . 18731 1 35 . 1 . 1 24 24 MET CB C 13 33.835 0.105 . 1 . . . . . 16 MET CB . 18731 1 36 . 1 . 1 24 24 MET CG C 13 31.552 0.095 . 1 . . . . . 16 MET CG . 18731 1 37 . 1 . 1 24 24 MET CE C 13 15.095 0.096 . 1 . . . . . 16 MET CE . 18731 1 38 . 1 . 1 24 24 MET N N 15 119.116 0.193 . 1 . . . . . 16 MET N . 18731 1 39 . 1 . 1 25 25 GLN C C 13 176.121 0.056 . 1 . . . . . 17 GLN C . 18731 1 40 . 1 . 1 25 25 GLN CA C 13 55.545 0.144 . 1 . . . . . 17 GLN CA . 18731 1 41 . 1 . 1 25 25 GLN CB C 13 26.806 0.146 . 1 . . . . . 17 GLN CB . 18731 1 42 . 1 . 1 25 25 GLN CG C 13 35.197 0.171 . 1 . . . . . 17 GLN CG . 18731 1 43 . 1 . 1 25 25 GLN CD C 13 181.470 0.127 . 1 . . . . . 17 GLN CD . 18731 1 44 . 1 . 1 25 25 GLN N N 15 112.816 0.154 . 1 . . . . . 17 GLN N . 18731 1 45 . 1 . 1 25 25 GLN NE2 N 15 114.375 0.038 . 1 . . . . . 17 GLN NE2 . 18731 1 46 . 1 . 1 26 26 CYS C C 13 174.389 0.157 . 1 . . . . . 18 CYS C . 18731 1 47 . 1 . 1 26 26 CYS CA C 13 58.921 0.061 . 1 . . . . . 18 CYS CA . 18731 1 48 . 1 . 1 26 26 CYS CB C 13 39.828 0.155 . 1 . . . . . 18 CYS CB . 18731 1 49 . 1 . 1 26 26 CYS N N 15 118.565 0.279 . 1 . . . . . 18 CYS N . 18731 1 50 . 1 . 1 27 27 LEU C C 13 173.251 0.113 . 1 . . . . . 19 LEU C . 18731 1 51 . 1 . 1 27 27 LEU CA C 13 52.065 0.151 . 1 . . . . . 19 LEU CA . 18731 1 52 . 1 . 1 27 27 LEU CB C 13 43.217 0.141 . 1 . . . . . 19 LEU CB . 18731 1 53 . 1 . 1 27 27 LEU CG C 13 27.318 0.081 . 1 . . . . . 19 LEU CG . 18731 1 54 . 1 . 1 27 27 LEU CD1 C 13 23.668 0.104 . 2 . . . . . 19 LEU CD1 . 18731 1 55 . 1 . 1 27 27 LEU CD2 C 13 25.111 0.101 . 2 . . . . . 19 LEU CD2 . 18731 1 56 . 1 . 1 27 27 LEU N N 15 115.119 0.34 . 1 . . . . . 19 LEU N . 18731 1 57 . 1 . 1 28 28 PRO C C 13 178.381 0.143 . 1 . . . . . 20 PRO C . 18731 1 58 . 1 . 1 28 28 PRO CA C 13 66.177 0.132 . 1 . . . . . 20 PRO CA . 18731 1 59 . 1 . 1 28 28 PRO CB C 13 32.497 0.094 . 1 . . . . . 20 PRO CB . 18731 1 60 . 1 . 1 28 28 PRO CG C 13 27.793 0.121 . 1 . . . . . 20 PRO CG . 18731 1 61 . 1 . 1 28 28 PRO CD C 13 49.117 0.144 . 1 . . . . . 20 PRO CD . 18731 1 62 . 1 . 1 28 28 PRO N N 15 130.116 0.228 . 1 . . . . . 20 PRO N . 18731 1 63 . 1 . 1 29 29 ASN C C 13 174.536 0.068 . 1 . . . . . 21 ASN C . 18731 1 64 . 1 . 1 29 29 ASN CA C 13 48.587 0.167 . 1 . . . . . 21 ASN CA . 18731 1 65 . 1 . 1 29 29 ASN CB C 13 36.127 0.154 . 1 . . . . . 21 ASN CB . 18731 1 66 . 1 . 1 29 29 ASN CG C 13 176.007 0.003 . 1 . . . . . 21 ASN CG . 18731 1 67 . 1 . 1 29 29 ASN N N 15 119.477 0.268 . 1 . . . . . 21 ASN N . 18731 1 68 . 1 . 1 30 30 PRO C C 13 178.481 0.097 . 1 . . . . . 22 PRO C . 18731 1 69 . 1 . 1 30 30 PRO CA C 13 64.205 0.168 . 1 . . . . . 22 PRO CA . 18731 1 70 . 1 . 1 30 30 PRO CB C 13 32.298 0.101 . 1 . . . . . 22 PRO CB . 18731 1 71 . 1 . 1 30 30 PRO CG C 13 27.779 0.166 . 1 . . . . . 22 PRO CG . 18731 1 72 . 1 . 1 30 30 PRO CD C 13 50.730 0.113 . 1 . . . . . 22 PRO CD . 18731 1 73 . 1 . 1 30 30 PRO N N 15 136.550 0.199 . 1 . . . . . 22 PRO N . 18731 1 74 . 1 . 1 31 31 GLU C C 13 178.440 0.108 . 1 . . . . . 23 GLU C . 18731 1 75 . 1 . 1 31 31 GLU CA C 13 58.362 0.123 . 1 . . . . . 23 GLU CA . 18731 1 76 . 1 . 1 31 31 GLU CB C 13 26.862 0.003 . 1 . . . . . 23 GLU CB . 18731 1 77 . 1 . 1 31 31 GLU CD C 13 184.551 0.142 . 1 . . . . . 23 GLU CD . 18731 1 78 . 1 . 1 31 31 GLU N N 15 121.620 0.284 . 1 . . . . . 23 GLU N . 18731 1 79 . 1 . 1 32 32 ASP C C 13 177.363 0.091 . 1 . . . . . 24 ASP C . 18731 1 80 . 1 . 1 32 32 ASP CA C 13 57.393 0.17 . 1 . . . . . 24 ASP CA . 18731 1 81 . 1 . 1 32 32 ASP CB C 13 39.975 0.11 . 1 . . . . . 24 ASP CB . 18731 1 82 . 1 . 1 32 32 ASP CG C 13 180.775 0.004 . 1 . . . . . 24 ASP CG . 18731 1 83 . 1 . 1 32 32 ASP N N 15 126.859 0.378 . 1 . . . . . 24 ASP N . 18731 1 84 . 1 . 1 33 33 VAL C C 13 177.028 0.113 . 1 . . . . . 25 VAL C . 18731 1 85 . 1 . 1 33 33 VAL CA C 13 66.173 0.159 . 1 . . . . . 25 VAL CA . 18731 1 86 . 1 . 1 33 33 VAL CB C 13 31.419 0.192 . 1 . . . . . 25 VAL CB . 18731 1 87 . 1 . 1 33 33 VAL CG1 C 13 20.231 0.084 . 2 . . . . . 25 VAL CG1 . 18731 1 88 . 1 . 1 33 33 VAL CG2 C 13 24.307 0.075 . 2 . . . . . 25 VAL CG2 . 18731 1 89 . 1 . 1 33 33 VAL N N 15 117.908 0.414 . 1 . . . . . 25 VAL N . 18731 1 90 . 1 . 1 34 34 LYS C C 13 176.851 0.132 . 1 . . . . . 26 LYS C . 18731 1 91 . 1 . 1 34 34 LYS CA C 13 60.742 0.151 . 1 . . . . . 26 LYS CA . 18731 1 92 . 1 . 1 34 34 LYS CB C 13 32.554 0.139 . 1 . . . . . 26 LYS CB . 18731 1 93 . 1 . 1 34 34 LYS CG C 13 25.662 0.089 . 1 . . . . . 26 LYS CG . 18731 1 94 . 1 . 1 34 34 LYS CD C 13 30.458 0.155 . 1 . . . . . 26 LYS CD . 18731 1 95 . 1 . 1 34 34 LYS CE C 13 42.055 0.158 . 1 . . . . . 26 LYS CE . 18731 1 96 . 1 . 1 34 34 LYS N N 15 117.411 0.324 . 1 . . . . . 26 LYS N . 18731 1 97 . 1 . 1 35 35 MET C C 13 176.860 0.074 . 1 . . . . . 27 MET C . 18731 1 98 . 1 . 1 35 35 MET CA C 13 59.460 0.102 . 1 . . . . . 27 MET CA . 18731 1 99 . 1 . 1 35 35 MET CB C 13 32.974 0.181 . 1 . . . . . 27 MET CB . 18731 1 100 . 1 . 1 35 35 MET CG C 13 33.736 0.194 . 1 . . . . . 27 MET CG . 18731 1 101 . 1 . 1 35 35 MET CE C 13 17.824 0.068 . 1 . . . . . 27 MET CE . 18731 1 102 . 1 . 1 35 35 MET N N 15 116.545 0.365 . 1 . . . . . 27 MET N . 18731 1 103 . 1 . 1 36 36 ALA C C 13 180.371 0.099 . 1 . . . . . 28 ALA C . 18731 1 104 . 1 . 1 36 36 ALA CA C 13 55.950 0.172 . 1 . . . . . 28 ALA CA . 18731 1 105 . 1 . 1 36 36 ALA CB C 13 19.030 0.115 . 1 . . . . . 28 ALA CB . 18731 1 106 . 1 . 1 36 36 ALA N N 15 121.425 0.12 . 1 . . . . . 28 ALA N . 18731 1 107 . 1 . 1 37 37 LEU C C 13 178.792 0.069 . 1 . . . . . 29 LEU C . 18731 1 108 . 1 . 1 37 37 LEU CA C 13 57.321 0.201 . 1 . . . . . 29 LEU CA . 18731 1 109 . 1 . 1 37 37 LEU CB C 13 42.018 0.145 . 1 . . . . . 29 LEU CB . 18731 1 110 . 1 . 1 37 37 LEU CG C 13 27.999 0.053 . 1 . . . . . 29 LEU CG . 18731 1 111 . 1 . 1 37 37 LEU CD1 C 13 22.552 0.026 . 2 . . . . . 29 LEU CD1 . 18731 1 112 . 1 . 1 37 37 LEU CD2 C 13 26.608 0.007 . 2 . . . . . 29 LEU CD2 . 18731 1 113 . 1 . 1 37 37 LEU N N 15 116.588 0.263 . 1 . . . . . 29 LEU N . 18731 1 114 . 1 . 1 38 38 GLU C C 13 180.444 0.096 . 1 . . . . . 30 GLU C . 18731 1 115 . 1 . 1 38 38 GLU CA C 13 60.065 0.153 . 1 . . . . . 30 GLU CA . 18731 1 116 . 1 . 1 38 38 GLU CB C 13 30.213 0.169 . 1 . . . . . 30 GLU CB . 18731 1 117 . 1 . 1 38 38 GLU CG C 13 38.277 0.147 . 1 . . . . . 30 GLU CG . 18731 1 118 . 1 . 1 38 38 GLU CD C 13 182.966 0.077 . 1 . . . . . 30 GLU CD . 18731 1 119 . 1 . 1 38 38 GLU N N 15 119.231 0.293 . 1 . . . . . 30 GLU N . 18731 1 120 . 1 . 1 39 39 VAL C C 13 176.757 0.12 . 1 . . . . . 31 VAL C . 18731 1 121 . 1 . 1 39 39 VAL CA C 13 66.907 0.148 . 1 . . . . . 31 VAL CA . 18731 1 122 . 1 . 1 39 39 VAL CB C 13 31.017 0.184 . 1 . . . . . 31 VAL CB . 18731 1 123 . 1 . 1 39 39 VAL CG1 C 13 22.575 0.124 . 2 . . . . . 31 VAL CG1 . 18731 1 124 . 1 . 1 39 39 VAL CG2 C 13 23.945 0.107 . 2 . . . . . 31 VAL CG2 . 18731 1 125 . 1 . 1 39 39 VAL N N 15 118.896 0.195 . 1 . . . . . 31 VAL N . 18731 1 126 . 1 . 1 40 40 TYR C C 13 177.428 0.076 . 1 . . . . . 32 TYR C . 18731 1 127 . 1 . 1 40 40 TYR CA C 13 57.106 0.216 . 1 . . . . . 32 TYR CA . 18731 1 128 . 1 . 1 40 40 TYR CB C 13 36.928 0.141 . 1 . . . . . 32 TYR CB . 18731 1 129 . 1 . 1 40 40 TYR CG C 13 127.565 0.172 . 1 . . . . . 32 TYR CG . 18731 1 130 . 1 . 1 40 40 TYR CZ C 13 158.058 0.107 . 1 . . . . . 32 TYR CZ . 18731 1 131 . 1 . 1 40 40 TYR N N 15 120.859 0.274 . 1 . . . . . 32 TYR N . 18731 1 132 . 1 . 1 41 41 LYS C C 13 177.901 0.118 . 1 . . . . . 33 LYS C . 18731 1 133 . 1 . 1 41 41 LYS CA C 13 61.102 0.152 . 1 . . . . . 33 LYS CA . 18731 1 134 . 1 . 1 41 41 LYS CB C 13 32.426 0.091 . 1 . . . . . 33 LYS CB . 18731 1 135 . 1 . 1 41 41 LYS CG C 13 25.772 0.091 . 1 . . . . . 33 LYS CG . 18731 1 136 . 1 . 1 41 41 LYS CD C 13 30.825 0.113 . 1 . . . . . 33 LYS CD . 18731 1 137 . 1 . 1 41 41 LYS CE C 13 41.999 0.18 . 1 . . . . . 33 LYS CE . 18731 1 138 . 1 . 1 41 41 LYS N N 15 118.548 0.241 . 1 . . . . . 33 LYS N . 18731 1 139 . 1 . 1 42 42 LEU C C 13 178.659 0.066 . 1 . . . . . 34 LEU C . 18731 1 140 . 1 . 1 42 42 LEU CA C 13 57.947 0.186 . 1 . . . . . 34 LEU CA . 18731 1 141 . 1 . 1 42 42 LEU CB C 13 43.766 0.124 . 1 . . . . . 34 LEU CB . 18731 1 142 . 1 . 1 42 42 LEU CG C 13 27.779 0.155 . 1 . . . . . 34 LEU CG . 18731 1 143 . 1 . 1 42 42 LEU CD1 C 13 26.647 0.057 . 2 . . . . . 34 LEU CD1 . 18731 1 144 . 1 . 1 42 42 LEU CD2 C 13 24.855 0.064 . 2 . . . . . 34 LEU CD2 . 18731 1 145 . 1 . 1 42 42 LEU N N 15 117.653 0.151 . 1 . . . . . 34 LEU N . 18731 1 146 . 1 . 1 43 43 SER C C 13 178.616 0.092 . 1 . . . . . 35 SER C . 18731 1 147 . 1 . 1 43 43 SER CA C 13 61.285 0.159 . 1 . . . . . 35 SER CA . 18731 1 148 . 1 . 1 43 43 SER CB C 13 64.475 0.155 . 1 . . . . . 35 SER CB . 18731 1 149 . 1 . 1 43 43 SER N N 15 112.266 0.155 . 1 . . . . . 35 SER N . 18731 1 150 . 1 . 1 44 44 LEU C C 13 180.707 0.146 . 1 . . . . . 36 LEU C . 18731 1 151 . 1 . 1 44 44 LEU CA C 13 57.947 0.129 . 1 . . . . . 36 LEU CA . 18731 1 152 . 1 . 1 44 44 LEU CB C 13 43.386 0.186 . 1 . . . . . 36 LEU CB . 18731 1 153 . 1 . 1 44 44 LEU CG C 13 27.366 0.138 . 1 . . . . . 36 LEU CG . 18731 1 154 . 1 . 1 44 44 LEU CD2 C 13 23.378 0.115 . 1 . . . . . 36 LEU CD2 . 18731 1 155 . 1 . 1 44 44 LEU N N 15 121.365 0.225 . 1 . . . . . 36 LEU N . 18731 1 156 . 1 . 1 45 45 GLU C C 13 180.062 0.198 . 1 . . . . . 37 GLU C . 18731 1 157 . 1 . 1 45 45 GLU CA C 13 59.818 0.174 . 1 . . . . . 37 GLU CA . 18731 1 158 . 1 . 1 45 45 GLU CB C 13 30.156 0.162 . 1 . . . . . 37 GLU CB . 18731 1 159 . 1 . 1 45 45 GLU CD C 13 182.961 0.065 . 1 . . . . . 37 GLU CD . 18731 1 160 . 1 . 1 45 45 GLU N N 15 121.054 0.27 . 1 . . . . . 37 GLU N . 18731 1 161 . 1 . 1 46 46 ILE C C 13 177.009 0.095 . 1 . . . . . 38 ILE C . 18731 1 162 . 1 . 1 46 46 ILE CA C 13 65.510 0.138 . 1 . . . . . 38 ILE CA . 18731 1 163 . 1 . 1 46 46 ILE CB C 13 38.008 0.102 . 1 . . . . . 38 ILE CB . 18731 1 164 . 1 . 1 46 46 ILE CG1 C 13 31.205 0.09 . 1 . . . . . 38 ILE CG1 . 18731 1 165 . 1 . 1 46 46 ILE CG2 C 13 18.791 0.113 . 1 . . . . . 38 ILE CG2 . 18731 1 166 . 1 . 1 46 46 ILE CD1 C 13 16.431 0.131 . 1 . . . . . 38 ILE CD1 . 18731 1 167 . 1 . 1 46 46 ILE N N 15 120.952 0.25 . 1 . . . . . 38 ILE N . 18731 1 168 . 1 . 1 47 47 GLU C C 13 178.664 0.098 . 1 . . . . . 39 GLU C . 18731 1 169 . 1 . 1 47 47 GLU CA C 13 59.542 0.14 . 1 . . . . . 39 GLU CA . 18731 1 170 . 1 . 1 47 47 GLU CB C 13 30.101 0.081 . 1 . . . . . 39 GLU CB . 18731 1 171 . 1 . 1 47 47 GLU N N 15 119.892 0.285 . 1 . . . . . 39 GLU N . 18731 1 172 . 1 . 1 55 55 SER C C 13 177.153 0.112 . 1 . . . . . 47 SER C . 18731 1 173 . 1 . 1 55 55 SER CA C 13 61.680 0.089 . 1 . . . . . 47 SER CA . 18731 1 174 . 1 . 1 55 55 SER CB C 13 61.930 0.02 . 1 . . . . . 47 SER CB . 18731 1 175 . 1 . 1 55 55 SER N N 15 115.460 0.286 . 1 . . . . . 47 SER N . 18731 1 176 . 1 . 1 56 56 ALA C C 13 181.002 0.084 . 1 . . . . . 48 ALA C . 18731 1 177 . 1 . 1 56 56 ALA CA C 13 55.072 0.177 . 1 . . . . . 48 ALA CA . 18731 1 178 . 1 . 1 56 56 ALA CB C 13 17.636 0.091 . 1 . . . . . 48 ALA CB . 18731 1 179 . 1 . 1 56 56 ALA N N 15 123.860 0.269 . 1 . . . . . 48 ALA N . 18731 1 180 . 1 . 1 57 57 ARG C C 13 174.611 0.003 . 1 . . . . . 49 ARG C . 18731 1 181 . 1 . 1 57 57 ARG CA C 13 59.124 0.179 . 1 . . . . . 49 ARG CA . 18731 1 182 . 1 . 1 57 57 ARG CB C 13 28.484 0.13 . 1 . . . . . 49 ARG CB . 18731 1 183 . 1 . 1 57 57 ARG CG C 13 26.909 0.044 . 1 . . . . . 49 ARG CG . 18731 1 184 . 1 . 1 57 57 ARG CD C 13 42.910 0.081 . 1 . . . . . 49 ARG CD . 18731 1 185 . 1 . 1 57 57 ARG CZ C 13 159.507 0.059 . 1 . . . . . 49 ARG CZ . 18731 1 186 . 1 . 1 57 57 ARG N N 15 118.279 0.301 . 1 . . . . . 49 ARG N . 18731 1 187 . 1 . 1 57 57 ARG NE N 15 85.583 . . 1 . . . . . 49 ARG NE . 18731 1 188 . 1 . 1 58 58 GLN C C 13 174.611 0.1 . 1 . . . . . 50 GLN C . 18731 1 189 . 1 . 1 58 58 GLN CA C 13 54.045 0.161 . 1 . . . . . 50 GLN CA . 18731 1 190 . 1 . 1 58 58 GLN CB C 13 28.614 0.05 . 1 . . . . . 50 GLN CB . 18731 1 191 . 1 . 1 58 58 GLN N N 15 112.387 0.001 . 1 . . . . . 50 GLN N . 18731 1 192 . 1 . 1 59 59 SER C C 13 176.209 0.153 . 1 . . . . . 51 SER C . 18731 1 193 . 1 . 1 59 59 SER CA C 13 58.978 0.118 . 1 . . . . . 51 SER CA . 18731 1 194 . 1 . 1 59 59 SER CB C 13 64.305 0.129 . 1 . . . . . 51 SER CB . 18731 1 195 . 1 . 1 59 59 SER N N 15 116.289 0.204 . 1 . . . . . 51 SER N . 18731 1 196 . 1 . 1 60 60 THR C C 13 176.657 0.216 . 1 . . . . . 52 THR C . 18731 1 197 . 1 . 1 60 60 THR CA C 13 61.992 0.143 . 1 . . . . . 52 THR CA . 18731 1 198 . 1 . 1 60 60 THR CB C 13 69.458 0.111 . 1 . . . . . 52 THR CB . 18731 1 199 . 1 . 1 60 60 THR CG2 C 13 23.024 0.083 . 1 . . . . . 52 THR CG2 . 18731 1 200 . 1 . 1 60 60 THR N N 15 117.837 0.368 . 1 . . . . . 52 THR N . 18731 1 201 . 1 . 1 61 61 LEU C C 13 177.777 0.136 . 1 . . . . . 53 LEU C . 18731 1 202 . 1 . 1 61 61 LEU CA C 13 57.948 0.131 . 1 . . . . . 53 LEU CA . 18731 1 203 . 1 . 1 61 61 LEU CB C 13 40.297 0.155 . 1 . . . . . 53 LEU CB . 18731 1 204 . 1 . 1 61 61 LEU CG C 13 26.806 0.118 . 1 . . . . . 53 LEU CG . 18731 1 205 . 1 . 1 61 61 LEU CD1 C 13 25.607 0.07 . 2 . . . . . 53 LEU CD1 . 18731 1 206 . 1 . 1 61 61 LEU CD2 C 13 21.707 0.132 . 2 . . . . . 53 LEU CD2 . 18731 1 207 . 1 . 1 61 61 LEU N N 15 123.260 0.311 . 1 . . . . . 53 LEU N . 18731 1 208 . 1 . 1 62 62 ASP C C 13 174.895 0.131 . 1 . . . . . 54 ASP C . 18731 1 209 . 1 . 1 62 62 ASP CA C 13 52.100 0.121 . 1 . . . . . 54 ASP CA . 18731 1 210 . 1 . 1 62 62 ASP CB C 13 43.352 0.075 . 1 . . . . . 54 ASP CB . 18731 1 211 . 1 . 1 62 62 ASP CG C 13 181.051 0.005 . 1 . . . . . 54 ASP CG . 18731 1 212 . 1 . 1 62 62 ASP N N 15 114.412 0.331 . 1 . . . . . 54 ASP N . 18731 1 213 . 1 . 1 63 63 LYS C C 13 174.002 0.072 . 1 . . . . . 55 LYS C . 18731 1 214 . 1 . 1 63 63 LYS CA C 13 54.086 0.133 . 1 . . . . . 55 LYS CA . 18731 1 215 . 1 . 1 63 63 LYS CB C 13 36.324 0.162 . 1 . . . . . 55 LYS CB . 18731 1 216 . 1 . 1 63 63 LYS CG C 13 25.162 0.105 . 1 . . . . . 55 LYS CG . 18731 1 217 . 1 . 1 63 63 LYS CD C 13 28.639 0.003 . 1 . . . . . 55 LYS CD . 18731 1 218 . 1 . 1 63 63 LYS N N 15 118.769 0.155 . 1 . . . . . 55 LYS N . 18731 1 219 . 1 . 1 64 64 GLU C C 13 174.430 0.128 . 1 . . . . . 56 GLU C . 18731 1 220 . 1 . 1 64 64 GLU CA C 13 55.537 0.193 . 1 . . . . . 56 GLU CA . 18731 1 221 . 1 . 1 64 64 GLU CB C 13 30.657 0.077 . 1 . . . . . 56 GLU CB . 18731 1 222 . 1 . 1 64 64 GLU CD C 13 180.321 0.109 . 1 . . . . . 56 GLU CD . 18731 1 223 . 1 . 1 64 64 GLU N N 15 123.386 0.147 . 1 . . . . . 56 GLU N . 18731 1 224 . 1 . 1 65 65 LEU C C 13 182.788 0.109 . 1 . . . . . 57 LEU C . 18731 1 225 . 1 . 1 65 65 LEU CA C 13 55.803 0.171 . 1 . . . . . 57 LEU CA . 18731 1 226 . 1 . 1 65 65 LEU CB C 13 43.605 0.181 . 1 . . . . . 57 LEU CB . 18731 1 227 . 1 . 1 65 65 LEU CG C 13 29.062 0.124 . 1 . . . . . 57 LEU CG . 18731 1 228 . 1 . 1 65 65 LEU CD1 C 13 24.425 0.092 . 2 . . . . . 57 LEU CD1 . 18731 1 229 . 1 . 1 65 65 LEU CD2 C 13 25.559 0.101 . 2 . . . . . 57 LEU CD2 . 18731 1 230 . 1 . 1 65 65 LEU N N 15 133.925 0.131 . 1 . . . . . 57 LEU N . 18731 1 stop_ save_