################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52356 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'assigned chem shift list' _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 $chem_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/HMQC' . . . 52356 1 2 '3D HNCO' . . . 52356 1 3 'HN(Ca)CO (H[N[ca[CO]]])' . . . 52356 1 4 '3D HNCA' . . . 52356 1 5 '3D HN(CO)CA' . . . 52356 1 6 '3D HNCACB' . . . 52356 1 7 '3D CBCA(CO)NH' . . . 52356 1 8 'CC(CO)NH (C_coNH.relayed)' . . . 52356 1 9 '3D 1H-15N NOESY' . . . 52356 1 10 '3D 1H-15N TOCSY' . . . 52356 1 11 '3D H(CCO)NH' . . . 52356 1 12 '3D HBHA(CO)NH' . . . 52356 1 13 '3D HBHA(CO)NH' . . . 52356 1 14 'HNHAHB (H{ca|cca}NH)' . . . 52356 1 15 'HNHA (H{[N]+[HA]})' . . . 52356 1 16 '2D 1H-15N HSQC/HMQC' . . . 52356 1 17 '2D 1H-15N HSQC/HMQC' . . . 52356 1 18 '2D 1H-15N HSQC/HMQC' . . . 52356 1 19 '2D 1H-15N HSQC/HMQC' . . . 52356 1 20 '2D 1H-15N HSQC/HMQC' . . . 52356 1 21 '2D 1H-15N HSQC/HMQC' . . . 52356 1 22 '2D 1H-15N HSQC/HMQC' . . . 52356 1 23 '2D 1H-15N HSQC/HMQC' . . . 52356 1 24 '2D 1H-15N HSQC/HMQC' . . . 52356 1 25 '2D 1H-15N HSQC/HMQC' . . . 52356 1 26 '2D 1H-15N HSQC/HMQC' . . . 52356 1 27 '2D 1H-15N HSQC/HMQC' . . . 52356 1 28 '2D 1H-15N HSQC/HMQC' . . . 52356 1 29 '2D 1H-15N HSQC/HMQC' . . . 52356 1 30 '2D 1H-15N HSQC/HMQC' . . . 52356 1 31 '2D 1H-15N HSQC/HMQC' . . . 52356 1 32 '2D 1H-15N HSQC/HMQC' . . . 52356 1 33 '2D 1H-15N HSQC/HMQC' . . . 52356 1 34 '2D 1H-15N HSQC/HMQC' . . . 52356 1 35 '2D 1H-15N HSQC/HMQC' . . . 52356 1 36 '2D 1H-15N HSQC/HMQC' . . . 52356 1 37 '2D 1H-15N HSQC/HMQC' . . . 52356 1 38 HETNOE1 . . . 52356 1 39 HETNOE2 . . . 52356 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52356 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 1 1 PHE HA H 1 4.406 . . 1 . . 406 . . 1 PHE HA . 52356 1 2 . 1 . 1 1 1 PHE HB2 H 1 3.114 . . 1 . . 407 . . 1 PHE HB2 . 52356 1 3 . 1 . 1 1 1 PHE C C 13 175.459 . . 1 . . 167 . . 1 PHE C . 52356 1 4 . 1 . 1 1 1 PHE CA C 13 58.413 . . 1 . . 258 . . 1 PHE CA . 52356 1 5 . 1 . 1 1 1 PHE CB C 13 37.957 . . 1 . . 288 . . 1 PHE CB . 52356 1 6 . 1 . 1 2 2 GLY H H 1 8.223 0.004 . 1 . . 95 . . 2 GLY H . 52356 1 7 . 1 . 1 2 2 GLY C C 13 174.445 0.008 . 1 . . 157 . . 2 GLY C . 52356 1 8 . 1 . 1 2 2 GLY CA C 13 45.620 0.037 . 1 . . 203 . . 2 GLY CA . 52356 1 9 . 1 . 1 2 2 GLY N N 15 108.292 0.025 . 1 . . 96 . . 2 GLY N . 52356 1 10 . 1 . 1 3 3 GLN H H 1 7.986 0.01 . 1 . . 19 . . 3 GLN H . 52356 1 11 . 1 . 1 3 3 GLN HA H 1 4.197 0.003 . 1 . . 430 . . 3 GLN HA . 52356 1 12 . 1 . 1 3 3 GLN HB2 H 1 1.956 . . 1 . . 431 . . 3 GLN HB2 . 52356 1 13 . 1 . 1 3 3 GLN C C 13 176.280 0.011 . 1 . . 184 . . 3 GLN C . 52356 1 14 . 1 . 1 3 3 GLN CA C 13 55.777 0.002 . 1 . . 235 . . 3 GLN CA . 52356 1 15 . 1 . 1 3 3 GLN CB C 13 29.126 0.008 . 1 . . 301 . . 3 GLN CB . 52356 1 16 . 1 . 1 3 3 GLN N N 15 118.738 0.092 . 1 . . 20 . . 3 GLN N . 52356 1 17 . 1 . 1 4 4 LYS H H 1 8.161 0.002 . 1 . . 51 . . 4 LYS H . 52356 1 18 . 1 . 1 4 4 LYS HA H 1 4.168 . . 1 . . 355 . . 4 LYS HA . 52356 1 19 . 1 . 1 4 4 LYS HB2 H 1 1.688 . . 1 . . 429 . . 4 LYS HB2 . 52356 1 20 . 1 . 1 4 4 LYS C C 13 176.319 0.013 . 1 . . 173 . . 4 LYS C . 52356 1 21 . 1 . 1 4 4 LYS CA C 13 56.544 0.079 . 1 . . 232 . . 4 LYS CA . 52356 1 22 . 1 . 1 4 4 LYS CB C 13 32.777 0.092 . 1 . . 297 . . 4 LYS CB . 52356 1 23 . 1 . 1 4 4 LYS N N 15 121.441 0.041 . 1 . . 52 . . 4 LYS N . 52356 1 24 . 1 . 1 5 5 ASP H H 1 8.228 0.011 . 1 . . 171 . . 5 ASP H . 52356 1 25 . 1 . 1 5 5 ASP HA H 1 4.404 . . 1 . . 440 . . 5 ASP HA . 52356 1 26 . 1 . 1 5 5 ASP C C 13 175.935 0.049 . 1 . . 122 . . 5 ASP C . 52356 1 27 . 1 . 1 5 5 ASP CA C 13 54.324 0.017 . 1 . . 260 . . 5 ASP CA . 52356 1 28 . 1 . 1 5 5 ASP CB C 13 40.599 0.047 . 1 . . 263 . . 5 ASP CB . 52356 1 29 . 1 . 1 5 5 ASP N N 15 119.715 0.053 . 1 . . 172 . . 5 ASP N . 52356 1 30 . 1 . 1 6 6 GLN H H 1 8.045 0.013 . 1 . . 5 . . 6 GLN H . 52356 1 31 . 1 . 1 6 6 GLN HA H 1 4.122 . . 1 . . 424 . . 6 GLN HA . 52356 1 32 . 1 . 1 6 6 GLN HB2 H 1 1.849 . . 1 . . 454 . . 6 GLN HB2 . 52356 1 33 . 1 . 1 6 6 GLN C C 13 175.762 0.018 . 1 . . 192 . . 6 GLN C . 52356 1 34 . 1 . 1 6 6 GLN CA C 13 55.813 0.053 . 1 . . 233 . . 6 GLN CA . 52356 1 35 . 1 . 1 6 6 GLN CB C 13 29.175 0.004 . 1 . . 291 . . 6 GLN CB . 52356 1 36 . 1 . 1 6 6 GLN N N 15 119.215 0.074 . 1 . . 6 . . 6 GLN N . 52356 1 37 . 1 . 1 7 7 GLN H H 1 8.218 0.006 . 1 . . 105 . . 7 GLN H . 52356 1 38 . 1 . 1 7 7 GLN HA H 1 4.122 . . 1 . . 356 . . 7 GLN HA . 52356 1 39 . 1 . 1 7 7 GLN HB2 H 1 1.821 . . 1 . . 453 . . 7 GLN HB2 . 52356 1 40 . 1 . 1 7 7 GLN C C 13 175.797 0.002 . 1 . . 142 . . 7 GLN C . 52356 1 41 . 1 . 1 7 7 GLN CA C 13 55.936 0.03 . 1 . . 257 . . 7 GLN CA . 52356 1 42 . 1 . 1 7 7 GLN CB C 13 29.174 0.027 . 1 . . 284 . . 7 GLN CB . 52356 1 43 . 1 . 1 7 7 GLN N N 15 119.734 0.046 . 1 . . 106 . . 7 GLN N . 52356 1 44 . 1 . 1 8 8 HIS H H 1 8.281 0.007 . 1 . . 79 . . 8 HIS H . 52356 1 45 . 1 . 1 8 8 HIS HA H 1 4.646 . . 1 . . 434 . . 8 HIS HA . 52356 1 46 . 1 . 1 8 8 HIS HB2 H 1 3.125 . . 1 . . 435 . . 8 HIS HB2 . 52356 1 47 . 1 . 1 8 8 HIS C C 13 174.329 0.01 . 1 . . 144 . . 8 HIS C . 52356 1 48 . 1 . 1 8 8 HIS CA C 13 55.367 0.004 . 1 . . 221 . . 8 HIS CA . 52356 1 49 . 1 . 1 8 8 HIS CB C 13 28.769 0.044 . 1 . . 285 . . 8 HIS CB . 52356 1 50 . 1 . 1 8 8 HIS N N 15 118.771 0.031 . 1 . . 80 . . 8 HIS N . 52356 1 51 . 1 . 1 9 9 THR H H 1 8.058 0.003 . 1 . . 83 . . 9 THR H . 52356 1 52 . 1 . 1 9 9 THR HA H 1 4.198 . . 1 . . 493 . . 9 THR HA . 52356 1 53 . 1 . 1 9 9 THR HB H 1 4.058 . . 1 . . 443 . . 9 THR HB . 52356 1 54 . 1 . 1 9 9 THR C C 13 174.471 0.026 . 1 . . 125 . . 9 THR C . 52356 1 55 . 1 . 1 9 9 THR CA C 13 62.161 0.004 . 1 . . 246 . . 9 THR CA . 52356 1 56 . 1 . 1 9 9 THR CB C 13 69.761 0.041 . 1 . . 266 . . 9 THR CB . 52356 1 57 . 1 . 1 9 9 THR N N 15 114.743 0.034 . 1 . . 84 . . 9 THR N . 52356 1 58 . 1 . 1 10 10 LYS H H 1 8.164 0.002 . 1 . . 15 . . 10 LYS H . 52356 1 59 . 1 . 1 10 10 LYS HA H 1 4.247 0.005 . 1 . . 344 . . 10 LYS HA . 52356 1 60 . 1 . 1 10 10 LYS HB2 H 1 1.699 . . 1 . . 445 . . 10 LYS HB2 . 52356 1 61 . 1 . 1 10 10 LYS C C 13 176.019 0.008 . 1 . . 124 . . 10 LYS C . 52356 1 62 . 1 . 1 10 10 LYS CA C 13 56.294 0.003 . 1 . . 200 . . 10 LYS CA . 52356 1 63 . 1 . 1 10 10 LYS CB C 13 32.809 0.021 . 1 . . 300 . . 10 LYS CB . 52356 1 64 . 1 . 1 10 10 LYS N N 15 123.005 0.012 . 1 . . 16 . . 10 LYS N . 52356 1 65 . 1 . 1 11 11 SER H H 1 8.085 0.003 . 1 . . 9 . . 11 SER H . 52356 1 66 . 1 . 1 11 11 SER HA H 1 4.364 0.0 . 1 . . 343 . . 11 SER HA . 52356 1 67 . 1 . 1 11 11 SER HB2 H 1 3.750 . . 1 . . 447 . . 11 SER HB2 . 52356 1 68 . 1 . 1 11 11 SER C C 13 174.419 0.002 . 1 . . 135 . . 11 SER C . 52356 1 69 . 1 . 1 11 11 SER CA C 13 58.013 0.001 . 1 . . 234 . . 11 SER CA . 52356 1 70 . 1 . 1 11 11 SER CB C 13 64.159 0.028 . 1 . . 275 . . 11 SER CB . 52356 1 71 . 1 . 1 11 11 SER N N 15 115.961 0.022 . 1 . . 10 . . 11 SER N . 52356 1 72 . 1 . 1 12 12 LYS H H 1 8.211 0.002 . 1 . . 55 . . 12 LYS H . 52356 1 73 . 1 . 1 12 12 LYS HA H 1 4.149 0.0 . 1 . . 345 . . 12 LYS HA . 52356 1 74 . 1 . 1 12 12 LYS HB2 H 1 1.716 . . 1 . . 448 . . 12 LYS HB2 . 52356 1 75 . 1 . 1 12 12 LYS C C 13 177.025 0.005 . 1 . . 123 . . 12 LYS C . 52356 1 76 . 1 . 1 12 12 LYS CA C 13 57.141 0.02 . 1 . . 199 . . 12 LYS CA . 52356 1 77 . 1 . 1 12 12 LYS CB C 13 32.583 0.014 . 1 . . 264 . . 12 LYS CB . 52356 1 78 . 1 . 1 12 12 LYS N N 15 122.578 0.017 . 1 . . 56 . . 12 LYS N . 52356 1 79 . 1 . 1 13 13 GLY H H 1 8.269 0.002 . 1 . . 7 . . 13 GLY H . 52356 1 80 . 1 . 1 13 13 GLY HA2 H 1 4.145 . . 1 . . 372 . . 13 GLY HA2 . 52356 1 81 . 1 . 1 13 13 GLY C C 13 174.431 0.004 . 1 . . 133 . . 13 GLY C . 52356 1 82 . 1 . 1 13 13 GLY CA C 13 45.522 0.005 . 1 . . 212 . . 13 GLY CA . 52356 1 83 . 1 . 1 13 13 GLY N N 15 109.864 0.021 . 1 . . 8 . . 13 GLY N . 52356 1 84 . 1 . 1 14 14 SER H H 1 7.955 0.004 . 1 . . 47 . . 14 SER H . 52356 1 85 . 1 . 1 14 14 SER HA H 1 4.268 0.0 . 1 . . 346 . . 14 SER HA . 52356 1 86 . 1 . 1 14 14 SER HB2 H 1 3.676 0.004 . 1 . . 347 . . 14 SER HB2 . 52356 1 87 . 1 . 1 14 14 SER C C 13 174.009 0.01 . 1 . . 147 . . 14 SER C . 52356 1 88 . 1 . 1 14 14 SER CA C 13 58.752 0.008 . 1 . . 224 . . 14 SER CA . 52356 1 89 . 1 . 1 14 14 SER CB C 13 63.706 0.003 . 1 . . 287 . . 14 SER CB . 52356 1 90 . 1 . 1 14 14 SER N N 15 115.221 0.047 . 1 . . 48 . . 14 SER N . 52356 1 91 . 1 . 1 15 15 PHE H H 1 7.985 0.005 . 1 . . 91 . . 15 PHE H . 52356 1 92 . 1 . 1 15 15 PHE HA H 1 4.457 0.0 . 1 . . 348 . . 15 PHE HA . 52356 1 93 . 1 . 1 15 15 PHE HB2 H 1 2.966 . . 1 . . 456 . . 15 PHE HB2 . 52356 1 94 . 1 . 1 15 15 PHE C C 13 175.029 0.011 . 1 . . 140 . . 15 PHE C . 52356 1 95 . 1 . 1 15 15 PHE CA C 13 58.370 0.009 . 1 . . 217 . . 15 PHE CA . 52356 1 96 . 1 . 1 15 15 PHE CB C 13 39.820 0.026 . 1 . . 280 . . 15 PHE CB . 52356 1 97 . 1 . 1 15 15 PHE N N 15 121.864 0.03 . 1 . . 92 . . 15 PHE N . 52356 1 98 . 1 . 1 16 16 SER H H 1 7.812 0.004 . 1 . . 69 . . 16 SER H . 52356 1 99 . 1 . 1 16 16 SER HA H 1 4.378 . . 1 . . 352 . . 16 SER HA . 52356 1 100 . 1 . 1 16 16 SER HB2 H 1 3.651 . . 1 . . 457 . . 16 SER HB2 . 52356 1 101 . 1 . 1 16 16 SER C C 13 173.749 0.007 . 1 . . 161 . . 16 SER C . 52356 1 102 . 1 . 1 16 16 SER CA C 13 57.636 0.01 . 1 . . 242 . . 16 SER CA . 52356 1 103 . 1 . 1 16 16 SER CB C 13 64.109 0.081 . 1 . . 293 . . 16 SER CB . 52356 1 104 . 1 . 1 16 16 SER N N 15 116.696 0.025 . 1 . . 70 . . 16 SER N . 52356 1 105 . 1 . 1 17 17 ILE H H 1 7.884 0.005 . 1 . . 109 . . 17 ILE H . 52356 1 106 . 1 . 1 17 17 ILE HA H 1 4.053 0.015 . 1 . . 423 . . 17 ILE HA . 52356 1 107 . 1 . 1 17 17 ILE HB H 1 1.786 . . 1 . . 432 . . 17 ILE HB . 52356 1 108 . 1 . 1 17 17 ILE C C 13 176.177 0.02 . 1 . . 162 . . 17 ILE C . 52356 1 109 . 1 . 1 17 17 ILE CA C 13 61.341 0.044 . 1 . . 244 . . 17 ILE CA . 52356 1 110 . 1 . 1 17 17 ILE CB C 13 38.476 0.049 . 1 . . 273 . . 17 ILE CB . 52356 1 111 . 1 . 1 17 17 ILE N N 15 121.224 0.017 . 1 . . 110 . . 17 ILE N . 52356 1 112 . 1 . 1 18 18 GLN H H 1 8.189 0.007 . 1 . . 43 . . 18 GLN H . 52356 1 113 . 1 . 1 18 18 GLN HA H 1 4.127 . . 1 . . 353 . . 18 GLN HA . 52356 1 114 . 1 . 1 18 18 GLN HB2 H 1 1.811 . . 1 . . 458 . . 18 GLN HB2 . 52356 1 115 . 1 . 1 18 18 GLN C C 13 175.635 0.004 . 1 . . 137 . . 18 GLN C . 52356 1 116 . 1 . 1 18 18 GLN CA C 13 56.085 0.036 . 1 . . 240 . . 18 GLN CA . 52356 1 117 . 1 . 1 18 18 GLN CB C 13 29.194 0.002 . 1 . . 278 . . 18 GLN CB . 52356 1 118 . 1 . 1 18 18 GLN N N 15 122.136 0.025 . 1 . . 44 . . 18 GLN N . 52356 1 119 . 1 . 1 19 19 HIS H H 1 7.926 0.002 . 1 . . 61 . . 19 HIS H . 52356 1 120 . 1 . 1 19 19 HIS HA H 1 4.522 . . 1 . . 354 . . 19 HIS HA . 52356 1 121 . 1 . 1 19 19 HIS HB2 H 1 3.015 . . 1 . . 459 . . 19 HIS HB2 . 52356 1 122 . 1 . 1 19 19 HIS C C 13 173.733 0.009 . 1 . . 121 . . 19 HIS C . 52356 1 123 . 1 . 1 19 19 HIS CA C 13 55.297 0.035 . 1 . . 198 . . 19 HIS CA . 52356 1 124 . 1 . 1 19 19 HIS CB C 13 28.575 0.025 . 1 . . 315 . . 19 HIS CB . 52356 1 125 . 1 . 1 19 19 HIS N N 15 117.102 0.017 . 1 . . 62 . . 19 HIS N . 52356 1 126 . 1 . 1 20 20 THR H H 1 7.885 0.007 . 1 . . 1 . . 20 THR H . 52356 1 127 . 1 . 1 20 20 THR HA H 1 4.042 0.002 . 1 . . 351 . . 20 THR HA . 52356 1 128 . 1 . 1 20 20 THR HB H 1 3.896 . . 1 . . 471 . . 20 THR HB . 52356 1 129 . 1 . 1 20 20 THR C C 13 173.980 0.004 . 1 . . 145 . . 20 THR C . 52356 1 130 . 1 . 1 20 20 THR CA C 13 62.544 0.003 . 1 . . 222 . . 20 THR CA . 52356 1 131 . 1 . 1 20 20 THR CB C 13 69.521 0.04 . 1 . . 316 . . 20 THR CB . 52356 1 132 . 1 . 1 20 20 THR N N 15 114.480 0.029 . 1 . . 2 . . 20 THR N . 52356 1 133 . 1 . 1 21 21 TYR H H 1 7.928 0.01 . 1 . . 85 . . 21 TYR H . 52356 1 134 . 1 . 1 21 21 TYR HA H 1 4.422 . . 1 . . 373 . . 21 TYR HA . 52356 1 135 . 1 . 1 21 21 TYR HB2 H 1 2.768 . . 1 . . 472 . . 21 TYR HB2 . 52356 1 136 . 1 . 1 21 21 TYR C C 13 174.705 0.001 . 1 . . 188 . . 21 TYR C . 52356 1 137 . 1 . 1 21 21 TYR CA C 13 58.077 0.019 . 1 . . 247 . . 21 TYR CA . 52356 1 138 . 1 . 1 21 21 TYR CB C 13 39.329 0.056 . 1 . . 262 . . 21 TYR CB . 52356 1 139 . 1 . 1 21 21 TYR N N 15 121.962 0.056 . 1 . . 86 . . 21 TYR N . 52356 1 140 . 1 . 1 22 22 HIS H H 1 8.017 0.018 . 1 . . 3 . . 22 HIS H . 52356 1 141 . 1 . 1 22 22 HIS HA H 1 4.111 . . 1 . . 374 . . 22 HIS HA . 52356 1 142 . 1 . 1 22 22 HIS C C 13 173.434 0.011 . 1 . . 165 . . 22 HIS C . 52356 1 143 . 1 . 1 22 22 HIS CA C 13 55.027 0.03 . 1 . . 254 . . 22 HIS CA . 52356 1 144 . 1 . 1 22 22 HIS CB C 13 29.174 0.011 . 1 . . 317 . . 22 HIS CB . 52356 1 145 . 1 . 1 22 22 HIS N N 15 118.965 0.033 . 1 . . 4 . . 22 HIS N . 52356 1 146 . 1 . 1 23 23 VAL H H 1 7.867 0.003 . 1 . . 89 . . 23 VAL H . 52356 1 147 . 1 . 1 23 23 VAL C C 13 174.687 . . 1 . . 197 . . 23 VAL C . 52356 1 148 . 1 . 1 23 23 VAL CA C 13 61.904 . . 1 . . 255 . . 23 VAL CA . 52356 1 149 . 1 . 1 23 23 VAL CB C 13 33.064 . . 1 . . 311 . . 23 VAL CB . 52356 1 150 . 1 . 1 23 23 VAL N N 15 120.613 0.03 . 1 . . 90 . . 23 VAL N . 52356 1 151 . 1 . 1 31 31 THR H H 1 7.872 0.021 . 1 . . 174 . . 31 THR H . 52356 1 152 . 1 . 1 31 31 THR C C 13 174.711 . . 1 . . 497 . . 31 THR C . 52356 1 153 . 1 . 1 31 31 THR CA C 13 62.541 . . 1 . . 501 . . 31 THR CA . 52356 1 154 . 1 . 1 31 31 THR CB C 13 69.767 . . 1 . . 502 . . 31 THR CB . 52356 1 155 . 1 . 1 31 31 THR N N 15 114.528 0.114 . 1 . . 175 . . 31 THR N . 52356 1 156 . 1 . 1 32 32 ARG H H 1 7.929 0.011 . 1 . . 495 . . 32 ARG H . 52356 1 157 . 1 . 1 32 32 ARG HA H 1 4.078 . . 1 . . 503 . . 32 ARG HA . 52356 1 158 . 1 . 1 32 32 ARG HB2 H 1 1.709 . . 1 . . 504 . . 32 ARG HB2 . 52356 1 159 . 1 . 1 32 32 ARG C C 13 177.116 . . 1 . . 500 . . 32 ARG C . 52356 1 160 . 1 . 1 32 32 ARG CA C 13 56.955 . . 1 . . 498 . . 32 ARG CA . 52356 1 161 . 1 . 1 32 32 ARG CB C 13 30.090 . . 1 . . 499 . . 32 ARG CB . 52356 1 162 . 1 . 1 32 32 ARG N N 15 121.971 0.059 . 1 . . 496 . . 32 ARG N . 52356 1 163 . 1 . 1 33 33 LYS H H 1 8.108 0.012 . 1 . . 67 . . 33 LYS H . 52356 1 164 . 1 . 1 33 33 LYS HA H 1 4.150 . . 1 . . 357 . . 33 LYS HA . 52356 1 165 . 1 . 1 33 33 LYS HB2 H 1 1.778 . . 1 . . 475 . . 33 LYS HB2 . 52356 1 166 . 1 . 1 33 33 LYS C C 13 177.008 0.014 . 1 . . 150 . . 33 LYS C . 52356 1 167 . 1 . 1 33 33 LYS CA C 13 56.979 0.008 . 1 . . 226 . . 33 LYS CA . 52356 1 168 . 1 . 1 33 33 LYS CB C 13 32.565 0.012 . 1 . . 289 . . 33 LYS CB . 52356 1 169 . 1 . 1 33 33 LYS N N 15 120.921 0.058 . 1 . . 68 . . 33 LYS N . 52356 1 170 . 1 . 1 34 34 SER H H 1 8.054 0.007 . 1 . . 101 . . 34 SER H . 52356 1 171 . 1 . 1 34 34 SER HA H 1 4.652 . . 1 . . 494 . . 34 SER HA . 52356 1 172 . 1 . 1 34 34 SER HB2 H 1 3.776 . . 1 . . 436 . . 34 SER HB2 . 52356 1 173 . 1 . 1 34 34 SER C C 13 174.550 0.025 . 1 . . 141 . . 34 SER C . 52356 1 174 . 1 . 1 34 34 SER CA C 13 59.159 0.009 . 1 . . 218 . . 34 SER CA . 52356 1 175 . 1 . 1 34 34 SER CB C 13 63.452 0.034 . 1 . . 282 . . 34 SER CB . 52356 1 176 . 1 . 1 34 34 SER N N 15 114.674 0.061 . 1 . . 102 . . 34 SER N . 52356 1 177 . 1 . 1 35 35 GLN H H 1 7.899 0.002 . 1 . . 73 . . 35 GLN H . 52356 1 178 . 1 . 1 35 35 GLN HA H 1 4.176 . . 1 . . 358 . . 35 GLN HA . 52356 1 179 . 1 . 1 35 35 GLN HB2 H 1 1.906 . . 1 . . 476 . . 35 GLN HB2 . 52356 1 180 . 1 . 1 35 35 GLN C C 13 175.553 0.01 . 1 . . 151 . . 35 GLN C . 52356 1 181 . 1 . 1 35 35 GLN CA C 13 56.046 0.01 . 1 . . 214 . . 35 GLN CA . 52356 1 182 . 1 . 1 35 35 GLN CB C 13 28.928 0.017 . 1 . . 292 . . 35 GLN CB . 52356 1 183 . 1 . 1 35 35 GLN N N 15 120.058 0.019 . 1 . . 74 . . 35 GLN N . 52356 1 184 . 1 . 1 36 36 GLN H H 1 7.914 0.003 . 1 . . 107 . . 36 GLN H . 52356 1 185 . 1 . 1 36 36 GLN HA H 1 4.119 . . 1 . . 359 . . 36 GLN HA . 52356 1 186 . 1 . 1 36 36 GLN HB2 H 1 1.968 . . 1 . . 460 . . 36 GLN HB2 . 52356 1 187 . 1 . 1 36 36 GLN C C 13 175.313 0.006 . 1 . . 136 . . 36 GLN C . 52356 1 188 . 1 . 1 36 36 GLN CA C 13 56.048 0.004 . 1 . . 342 . . 36 GLN CA . 52356 1 189 . 1 . 1 36 36 GLN CB C 13 29.325 0.019 . 1 . . 276 . . 36 GLN CB . 52356 1 190 . 1 . 1 36 36 GLN N N 15 118.750 0.033 . 1 . . 108 . . 36 GLN N . 52356 1 191 . 1 . 1 37 37 TYR H H 1 7.762 0.002 . 1 . . 57 . . 37 TYR H . 52356 1 192 . 1 . 1 37 37 TYR C C 13 174.601 . . 1 . . 187 . . 37 TYR C . 52356 1 193 . 1 . 1 37 37 TYR CA C 13 57.498 . . 1 . . 241 . . 37 TYR CA . 52356 1 194 . 1 . 1 37 37 TYR CB C 13 39.634 . . 1 . . 305 . . 37 TYR CB . 52356 1 195 . 1 . 1 37 37 TYR N N 15 119.857 0.016 . 1 . . 58 . . 37 TYR N . 52356 1 196 . 1 . 1 41 41 ALA H H 1 7.997 0.013 . 1 . . 323 . . 41 ALA H . 52356 1 197 . 1 . 1 41 41 ALA HA H 1 3.978 . . 1 . . 461 . . 41 ALA HA . 52356 1 198 . 1 . 1 41 41 ALA HB1 H 1 1.358 . . 1 . . 462 . . 41 ALA HB1 . 52356 1 199 . 1 . 1 41 41 ALA HB2 H 1 1.358 . . 1 . . 462 . . 41 ALA HB2 . 52356 1 200 . 1 . 1 41 41 ALA HB3 H 1 1.358 . . 1 . . 462 . . 41 ALA HB3 . 52356 1 201 . 1 . 1 41 41 ALA C C 13 179.169 0.012 . 1 . . 326 . . 41 ALA C . 52356 1 202 . 1 . 1 41 41 ALA CA C 13 54.345 0.024 . 1 . . 229 . . 41 ALA CA . 52356 1 203 . 1 . 1 41 41 ALA CB C 13 18.460 0.008 . 1 . . 295 . . 41 ALA CB . 52356 1 204 . 1 . 1 41 41 ALA N N 15 121.859 0.028 . 1 . . 324 . . 41 ALA N . 52356 1 205 . 1 . 1 42 42 LEU H H 1 7.580 0.003 . 1 . . 113 . . 42 LEU H . 52356 1 206 . 1 . 1 42 42 LEU HA H 1 3.993 . . 1 . . 360 . . 42 LEU HA . 52356 1 207 . 1 . 1 42 42 LEU HB2 H 1 1.545 . . 1 . . 437 . . 42 LEU HB2 . 52356 1 208 . 1 . 1 42 42 LEU C C 13 177.792 0.004 . 1 . . 131 . . 42 LEU C . 52356 1 209 . 1 . 1 42 42 LEU CA C 13 56.828 0.013 . 1 . . 210 . . 42 LEU CA . 52356 1 210 . 1 . 1 42 42 LEU CB C 13 41.636 0.03 . 1 . . 272 . . 42 LEU CB . 52356 1 211 . 1 . 1 42 42 LEU N N 15 117.458 0.024 . 1 . . 114 . . 42 LEU N . 52356 1 212 . 1 . 1 43 43 HIS H H 1 7.988 0.003 . 1 . . 41 . . 43 HIS H . 52356 1 213 . 1 . 1 43 43 HIS HA H 1 4.427 . . 1 . . 361 . . 43 HIS HA . 52356 1 214 . 1 . 1 43 43 HIS HB2 H 1 3.177 . . 1 . . 438 . . 43 HIS HB2 . 52356 1 215 . 1 . 1 43 43 HIS C C 13 175.663 0.003 . 1 . . 143 . . 43 HIS C . 52356 1 216 . 1 . 1 43 43 HIS CA C 13 56.559 0.017 . 1 . . 220 . . 43 HIS CA . 52356 1 217 . 1 . 1 43 43 HIS CB C 13 28.390 0.003 . 1 . . 304 . . 43 HIS CB . 52356 1 218 . 1 . 1 43 43 HIS N N 15 116.110 0.024 . 1 . . 42 . . 43 HIS N . 52356 1 219 . 1 . 1 44 44 LYS H H 1 7.965 0.002 . 1 . . 81 . . 44 LYS H . 52356 1 220 . 1 . 1 44 44 LYS HA H 1 3.973 . . 1 . . 362 . . 44 LYS HA . 52356 1 221 . 1 . 1 44 44 LYS HB2 H 1 1.759 . . 1 . . 463 . . 44 LYS HB2 . 52356 1 222 . 1 . 1 44 44 LYS C C 13 177.497 0.013 . 1 . . 126 . . 44 LYS C . 52356 1 223 . 1 . 1 44 44 LYS CA C 13 57.974 0.008 . 1 . . 205 . . 44 LYS CA . 52356 1 224 . 1 . 1 44 44 LYS CB C 13 32.556 0.006 . 1 . . 303 . . 44 LYS CB . 52356 1 225 . 1 . 1 44 44 LYS N N 15 119.607 0.03 . 1 . . 82 . . 44 LYS N . 52356 1 226 . 1 . 1 45 45 ALA H H 1 7.899 0.002 . 1 . . 27 . . 45 ALA H . 52356 1 227 . 1 . 1 45 45 ALA HA H 1 4.157 . . 1 . . 363 . . 45 ALA HA . 52356 1 228 . 1 . 1 45 45 ALA HB1 H 1 1.366 . . 1 . . 464 . . 45 ALA HB1 . 52356 1 229 . 1 . 1 45 45 ALA HB2 H 1 1.366 . . 1 . . 464 . . 45 ALA HB2 . 52356 1 230 . 1 . 1 45 45 ALA HB3 H 1 1.366 . . 1 . . 464 . . 45 ALA HB3 . 52356 1 231 . 1 . 1 45 45 ALA C C 13 178.569 0.008 . 1 . . 134 . . 45 ALA C . 52356 1 232 . 1 . 1 45 45 ALA CA C 13 53.711 0.005 . 1 . . 213 . . 45 ALA CA . 52356 1 233 . 1 . 1 45 45 ALA CB C 13 18.867 0.032 . 1 . . 274 . . 45 ALA CB . 52356 1 234 . 1 . 1 45 45 ALA N N 15 122.124 0.021 . 1 . . 28 . . 45 ALA N . 52356 1 235 . 1 . 1 46 46 THR H H 1 7.884 0.002 . 1 . . 53 . . 46 THR H . 52356 1 236 . 1 . 1 46 46 THR HA H 1 4.082 . . 1 . . 364 . . 46 THR HA . 52356 1 237 . 1 . 1 46 46 THR HG21 H 1 1.368 . . 1 . . 507 . . 46 THR HG1 . 52356 1 238 . 1 . 1 46 46 THR HG22 H 1 1.368 . . 1 . . 507 . . 46 THR HG1 . 52356 1 239 . 1 . 1 46 46 THR HG23 H 1 1.368 . . 1 . . 507 . . 46 THR HG1 . 52356 1 240 . 1 . 1 46 46 THR C C 13 175.426 0.012 . 1 . . 186 . . 46 THR C . 52356 1 241 . 1 . 1 46 46 THR CA C 13 63.278 0.007 . 1 . . 251 . . 46 THR CA . 52356 1 242 . 1 . 1 46 46 THR CB C 13 69.306 0.049 . 1 . . 277 . . 46 THR CB . 52356 1 243 . 1 . 1 46 46 THR N N 15 110.592 0.023 . 1 . . 54 . . 46 THR N . 52356 1 244 . 1 . 1 47 47 LYS H H 1 7.856 0.002 . 1 . . 59 . . 47 LYS H . 52356 1 245 . 1 . 1 47 47 LYS HA H 1 4.179 . . 1 . . 365 . . 47 LYS HA . 52356 1 246 . 1 . 1 47 47 LYS HB2 H 1 1.717 . . 1 . . 477 . . 47 LYS HB2 . 52356 1 247 . 1 . 1 47 47 LYS C C 13 177.123 0.003 . 1 . . 138 . . 47 LYS C . 52356 1 248 . 1 . 1 47 47 LYS CA C 13 56.881 0.036 . 1 . . 215 . . 47 LYS CA . 52356 1 249 . 1 . 1 47 47 LYS CB C 13 32.301 0.069 . 1 . . 306 . . 47 LYS CB . 52356 1 250 . 1 . 1 47 47 LYS N N 15 121.532 0.068 . 1 . . 60 . . 47 LYS N . 52356 1 251 . 1 . 1 48 48 SER H H 1 7.934 0.005 . 1 . . 65 . . 48 SER H . 52356 1 252 . 1 . 1 48 48 SER HA H 1 4.243 . . 1 . . 370 . . 48 SER HA . 52356 1 253 . 1 . 1 48 48 SER HB2 H 1 3.800 . . 1 . . 468 . . 48 SER HB2 . 52356 1 254 . 1 . 1 48 48 SER C C 13 174.536 0.037 . 1 . . 160 . . 48 SER C . 52356 1 255 . 1 . 1 48 48 SER CA C 13 59.300 0.004 . 1 . . 252 . . 48 SER CA . 52356 1 256 . 1 . 1 48 48 SER CB C 13 63.324 . . 1 . . 307 . . 48 SER CB . 52356 1 257 . 1 . 1 48 48 SER N N 15 115.048 0.051 . 1 . . 66 . . 48 SER N . 52356 1 258 . 1 . 1 49 49 LYS H H 1 7.860 0.006 . 1 . . 39 . . 49 LYS H . 52356 1 259 . 1 . 1 49 49 LYS HA H 1 4.155 0.002 . 1 . . 349 . . 49 LYS HA . 52356 1 260 . 1 . 1 49 49 LYS HB2 H 1 1.737 . . 1 . . 469 . . 49 LYS HB2 . 52356 1 261 . 1 . 1 49 49 LYS C C 13 176.161 0.01 . 1 . . 155 . . 49 LYS C . 52356 1 262 . 1 . 1 49 49 LYS CA C 13 56.380 0.011 . 1 . . 202 . . 49 LYS CA . 52356 1 263 . 1 . 1 49 49 LYS CB C 13 32.402 0.011 . 1 . . 321 . . 49 LYS CB . 52356 1 264 . 1 . 1 49 49 LYS N N 15 121.196 0.028 . 1 . . 40 . . 49 LYS N . 52356 1 265 . 1 . 1 50 50 GLN H H 1 8.000 0.003 . 1 . . 17 . . 50 GLN H . 52356 1 266 . 1 . 1 50 50 GLN HA H 1 4.110 . . 1 . . 366 . . 50 GLN HA . 52356 1 267 . 1 . 1 50 50 GLN HB2 H 1 1.840 . . 1 . . 478 . . 50 GLN HB2 . 52356 1 268 . 1 . 1 50 50 GLN C C 13 175.816 0.0 . 1 . . 146 . . 50 GLN C . 52356 1 269 . 1 . 1 50 50 GLN CA C 13 56.243 0.038 . 1 . . 223 . . 50 GLN CA . 52356 1 270 . 1 . 1 50 50 GLN CB C 13 29.067 0.011 . 1 . . 286 . . 50 GLN CB . 52356 1 271 . 1 . 1 50 50 GLN N N 15 118.992 0.014 . 1 . . 18 . . 50 GLN N . 52356 1 272 . 1 . 1 51 51 HIS H H 1 8.246 0.003 . 1 . . 87 . . 51 HIS H . 52356 1 273 . 1 . 1 51 51 HIS HA H 1 4.605 . . 1 . . 479 . . 51 HIS HA . 52356 1 274 . 1 . 1 51 51 HIS HB2 H 1 3.101 . . 1 . . 480 . . 51 HIS HB2 . 52356 1 275 . 1 . 1 51 51 HIS C C 13 174.313 0.004 . 1 . . 154 . . 51 HIS C . 52356 1 276 . 1 . 1 51 51 HIS CA C 13 55.601 0.051 . 1 . . 201 . . 51 HIS CA . 52356 1 277 . 1 . 1 51 51 HIS CB C 13 28.970 0.038 . 1 . . 265 . . 51 HIS CB . 52356 1 278 . 1 . 1 51 51 HIS N N 15 117.782 0.02 . 1 . . 88 . . 51 HIS N . 52356 1 279 . 1 . 1 52 52 LEU H H 1 8.063 0.008 . 1 . . 11 . . 52 LEU H . 52356 1 280 . 1 . 1 52 52 LEU HA H 1 4.215 0.009 . 1 . . 350 . . 52 LEU HA . 52356 1 281 . 1 . 1 52 52 LEU HB2 H 1 1.610 . . 1 . . 482 . . 52 LEU HB2 . 52356 1 282 . 1 . 1 52 52 LEU C C 13 177.546 0.016 . 1 . . 183 . . 52 LEU C . 52356 1 283 . 1 . 1 52 52 LEU CA C 13 55.471 0.012 . 1 . . 259 . . 52 LEU CA . 52356 1 284 . 1 . 1 52 52 LEU CB C 13 41.918 0.033 . 1 . . 298 . . 52 LEU CB . 52356 1 285 . 1 . 1 52 52 LEU N N 15 120.782 0.034 . 1 . . 12 . . 52 LEU N . 52356 1 286 . 1 . 1 53 53 GLY H H 1 8.226 0.003 . 1 . . 168 . . 53 GLY H . 52356 1 287 . 1 . 1 53 53 GLY HA2 H 1 3.878 . . 1 . . 484 . . 53 GLY HA2 . 52356 1 288 . 1 . 1 53 53 GLY C C 13 175.004 0.013 . 1 . . 132 . . 53 GLY C . 52356 1 289 . 1 . 1 53 53 GLY N N 15 108.276 0.016 . 1 . . 169 . . 53 GLY N . 52356 1 290 . 1 . 1 54 54 GLY H H 1 8.148 0.002 . 1 . . 45 . . 54 GLY H . 52356 1 291 . 1 . 1 54 54 GLY HA2 H 1 3.900 . . 1 . . 486 . . 54 GLY HA2 . 52356 1 292 . 1 . 1 54 54 GLY C C 13 174.937 0.007 . 1 . . 130 . . 54 GLY C . 52356 1 293 . 1 . 1 54 54 GLY CA C 13 45.662 0.015 . 1 . . 209 . . 54 GLY CA . 52356 1 294 . 1 . 1 54 54 GLY N N 15 108.639 0.013 . 1 . . 46 . . 54 GLY N . 52356 1 295 . 1 . 1 55 55 SER H H 1 8.152 0.005 . 1 . . 37 . . 55 SER H . 52356 1 296 . 1 . 1 55 55 SER HA H 1 4.202 . . 1 . . 367 . . 55 SER HA . 52356 1 297 . 1 . 1 55 55 SER HB2 H 1 3.820 . . 1 . . 488 . . 55 SER HB2 . 52356 1 298 . 1 . 1 55 55 SER C C 13 174.937 0.011 . 1 . . 159 . . 55 SER C . 52356 1 299 . 1 . 1 55 55 SER CA C 13 59.709 0.018 . 1 . . 239 . . 55 SER CA . 52356 1 300 . 1 . 1 55 55 SER CB C 13 63.355 0.016 . 1 . . 268 . . 55 SER CB . 52356 1 301 . 1 . 1 55 55 SER N N 15 115.656 0.054 . 1 . . 38 . . 55 SER N . 52356 1 302 . 1 . 1 56 56 GLN H H 1 8.208 0.003 . 1 . . 25 . . 56 GLN H . 52356 1 303 . 1 . 1 56 56 GLN HA H 1 4.115 . . 1 . . 375 . . 56 GLN HA . 52356 1 304 . 1 . 1 56 56 GLN HB2 H 1 1.985 . . 1 . . 489 . . 56 GLN HB2 . 52356 1 305 . 1 . 1 56 56 GLN C C 13 176.426 0.003 . 1 . . 195 . . 56 GLN C . 52356 1 306 . 1 . 1 56 56 GLN CA C 13 57.195 0.018 . 1 . . 236 . . 56 GLN CA . 52356 1 307 . 1 . 1 56 56 GLN CB C 13 28.372 0.035 . 1 . . 270 . . 56 GLN CB . 52356 1 308 . 1 . 1 56 56 GLN N N 15 120.319 0.039 . 1 . . 26 . . 56 GLN N . 52356 1 309 . 1 . 1 57 57 GLN H H 1 8.080 0.005 . 1 . . 35 . . 57 GLN H . 52356 1 310 . 1 . 1 57 57 GLN HA H 1 4.092 . . 1 . . 368 . . 57 GLN HA . 52356 1 311 . 1 . 1 57 57 GLN HB2 H 1 1.984 . . 1 . . 491 . . 57 GLN HB2 . 52356 1 312 . 1 . 1 57 57 GLN C C 13 177.003 0.004 . 1 . . 185 . . 57 GLN C . 52356 1 313 . 1 . 1 57 57 GLN CA C 13 57.104 0.016 . 1 . . 230 . . 57 GLN CA . 52356 1 314 . 1 . 1 57 57 GLN CB C 13 28.733 0.014 . 1 . . 308 . . 57 GLN CB . 52356 1 315 . 1 . 1 57 57 GLN N N 15 118.595 0.056 . 1 . . 36 . . 57 GLN N . 52356 1 316 . 1 . 1 58 58 LEU H H 1 7.976 0.004 . 1 . . 115 . . 58 LEU H . 52356 1 317 . 1 . 1 58 58 LEU HA H 1 4.080 . . 1 . . 508 . . 58 LEU HA . 52356 1 318 . 1 . 1 58 58 LEU C C 13 178.154 0.018 . 1 . . 189 . . 58 LEU C . 52356 1 319 . 1 . 1 58 58 LEU CA C 13 57.421 0.024 . 1 . . 245 . . 58 LEU CA . 52356 1 320 . 1 . 1 58 58 LEU CB C 13 42.065 0.063 . 1 . . 281 . . 58 LEU CB . 52356 1 321 . 1 . 1 58 58 LEU N N 15 121.051 0.026 . 1 . . 116 . . 58 LEU N . 52356 1 322 . 1 . 1 59 59 LEU H H 1 7.804 0.003 . 1 . . 71 . . 59 LEU H . 52356 1 323 . 1 . 1 59 59 LEU HA H 1 4.060 . . 1 . . 369 . . 59 LEU HA . 52356 1 324 . 1 . 1 59 59 LEU C C 13 177.955 0.023 . 1 . . 127 . . 59 LEU C . 52356 1 325 . 1 . 1 59 59 LEU CA C 13 56.061 0.0 . 1 . . 206 . . 59 LEU CA . 52356 1 326 . 1 . 1 59 59 LEU CB C 13 41.431 0.019 . 1 . . 269 . . 59 LEU CB . 52356 1 327 . 1 . 1 59 59 LEU N N 15 117.404 0.026 . 1 . . 72 . . 59 LEU N . 52356 1 stop_ save_