################################### # 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 50452 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PDZ1PDZ2_assign_25C _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 TROSY' . . . 50452 1 2 '3D HNCO' . . . 50452 1 3 '3D HNCACB' . . . 50452 1 4 '3D CBCA(CO)NH' . . . 50452 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'all nitrogens' 15 45 . 50452 1 'TROSY offset' 'all 1H' 1 45 . 50452 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 . . 50452 1 2 $software_2 . . 50452 1 3 $software_3 . . 50452 1 4 $software_4 . . 50452 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 3 3 GLY H H 1 8.655 0.020 . 1 . . . . . 263 GLY H . 50452 1 2 . 1 . 1 3 3 GLY CA C 13 44.874 0.3 . 1 . . . . . 263 GLY CA . 50452 1 3 . 1 . 1 3 3 GLY N N 15 112.647 0.3 . 1 . . . . . 263 GLY N . 50452 1 4 . 1 . 1 4 4 GLU H H 1 8.146 0.020 . 1 . . . . . 264 GLU H . 50452 1 5 . 1 . 1 4 4 GLU C C 13 176.257 0.3 . 1 . . . . . 264 GLU C . 50452 1 6 . 1 . 1 4 4 GLU CA C 13 54.857 0.3 . 1 . . . . . 264 GLU CA . 50452 1 7 . 1 . 1 4 4 GLU CB C 13 32.417 0.3 . 1 . . . . . 264 GLU CB . 50452 1 8 . 1 . 1 4 4 GLU N N 15 122.613 0.3 . 1 . . . . . 264 GLU N . 50452 1 9 . 1 . 1 10 10 THR H H 1 8.351 0.020 . 1 . . . . . 270 THR H . 50452 1 10 . 1 . 1 10 10 THR C C 13 173.281 0.3 . 1 . . . . . 270 THR C . 50452 1 11 . 1 . 1 10 10 THR CA C 13 59.531 0.3 . 1 . . . . . 270 THR CA . 50452 1 12 . 1 . 1 10 10 THR CB C 13 70.902 0.3 . 1 . . . . . 270 THR CB . 50452 1 13 . 1 . 1 10 10 THR N N 15 114.404 0.3 . 1 . . . . . 270 THR N . 50452 1 14 . 1 . 1 18 18 LYS H H 1 7.442 0.020 . 1 . . . . . 278 LYS H . 50452 1 15 . 1 . 1 18 18 LYS C C 13 179.901 0.3 . 1 . . . . . 278 LYS C . 50452 1 16 . 1 . 1 18 18 LYS CA C 13 58.666 0.3 . 1 . . . . . 278 LYS CA . 50452 1 17 . 1 . 1 18 18 LYS CB C 13 32.082 0.3 . 1 . . . . . 278 LYS CB . 50452 1 18 . 1 . 1 18 18 LYS N N 15 119.061 0.3 . 1 . . . . . 278 LYS N . 50452 1 19 . 1 . 1 19 19 ALA H H 1 7.546 0.020 . 1 . . . . . 279 ALA H . 50452 1 20 . 1 . 1 19 19 ALA C C 13 179.032 0.3 . 1 . . . . . 279 ALA C . 50452 1 21 . 1 . 1 19 19 ALA CA C 13 54.769 0.3 . 1 . . . . . 279 ALA CA . 50452 1 22 . 1 . 1 19 19 ALA CB C 13 18.406 0.3 . 1 . . . . . 279 ALA CB . 50452 1 23 . 1 . 1 19 19 ALA N N 15 125.141 0.3 . 1 . . . . . 279 ALA N . 50452 1 24 . 1 . 1 21 21 LYS H H 1 7.586 0.020 . 1 . . . . . 281 LYS H . 50452 1 25 . 1 . 1 21 21 LYS C C 13 175.859 0.3 . 1 . . . . . 281 LYS C . 50452 1 26 . 1 . 1 21 21 LYS CA C 13 56.994 0.3 . 1 . . . . . 281 LYS CA . 50452 1 27 . 1 . 1 21 21 LYS CB C 13 29.294 0.3 . 1 . . . . . 281 LYS CB . 50452 1 28 . 1 . 1 21 21 LYS N N 15 119.606 0.3 . 1 . . . . . 281 LYS N . 50452 1 29 . 1 . 1 23 23 ASP H H 1 7.884 0.020 . 1 . . . . . 283 ASP H . 50452 1 30 . 1 . 1 23 23 ASP CA C 13 54.664 0.3 . 1 . . . . . 283 ASP CA . 50452 1 31 . 1 . 1 23 23 ASP CB C 13 40.283 0.3 . 1 . . . . . 283 ASP CB . 50452 1 32 . 1 . 1 23 23 ASP N N 15 127.392 0.3 . 1 . . . . . 283 ASP N . 50452 1 33 . 1 . 1 24 24 ALA H H 1 7.281 0.020 . 1 . . . . . 284 ALA H . 50452 1 34 . 1 . 1 24 24 ALA C C 13 176.257 0.3 . 1 . . . . . 284 ALA C . 50452 1 35 . 1 . 1 24 24 ALA CA C 13 52.050 0.3 . 1 . . . . . 284 ALA CA . 50452 1 36 . 1 . 1 24 24 ALA CB C 13 20.130 0.3 . 1 . . . . . 284 ALA CB . 50452 1 37 . 1 . 1 24 24 ALA N N 15 124.614 0.3 . 1 . . . . . 284 ALA N . 50452 1 38 . 1 . 1 28 28 ALA H H 1 8.357 0.020 . 1 . . . . . 288 ALA H . 50452 1 39 . 1 . 1 28 28 ALA C C 13 174.919 0.3 . 1 . . . . . 288 ALA C . 50452 1 40 . 1 . 1 28 28 ALA CA C 13 50.188 0.3 . 1 . . . . . 288 ALA CA . 50452 1 41 . 1 . 1 28 28 ALA CB C 13 20.828 0.3 . 1 . . . . . 288 ALA CB . 50452 1 42 . 1 . 1 28 28 ALA N N 15 123.558 0.3 . 1 . . . . . 288 ALA N . 50452 1 43 . 1 . 1 29 29 PHE H H 1 8.505 0.020 . 1 . . . . . 289 PHE H . 50452 1 44 . 1 . 1 29 29 PHE C C 13 173.782 0.3 . 1 . . . . . 289 PHE C . 50452 1 45 . 1 . 1 29 29 PHE CA C 13 57.835 0.3 . 1 . . . . . 289 PHE CA . 50452 1 46 . 1 . 1 29 29 PHE CB C 13 39.964 0.3 . 1 . . . . . 289 PHE CB . 50452 1 47 . 1 . 1 29 29 PHE N N 15 127.790 0.3 . 1 . . . . . 289 PHE N . 50452 1 48 . 1 . 1 30 30 VAL H H 1 7.897 0.020 . 1 . . . . . 290 VAL H . 50452 1 49 . 1 . 1 30 30 VAL C C 13 173.883 0.3 . 1 . . . . . 290 VAL C . 50452 1 50 . 1 . 1 30 30 VAL CA C 13 62.903 0.3 . 1 . . . . . 290 VAL CA . 50452 1 51 . 1 . 1 30 30 VAL CB C 13 30.955 0.3 . 1 . . . . . 290 VAL CB . 50452 1 52 . 1 . 1 30 30 VAL N N 15 130.099 0.3 . 1 . . . . . 290 VAL N . 50452 1 53 . 1 . 1 32 32 GLN H H 1 7.378 0.020 . 1 . . . . . 292 GLN H . 50452 1 54 . 1 . 1 32 32 GLN C C 13 173.013 0.3 . 1 . . . . . 292 GLN C . 50452 1 55 . 1 . 1 32 32 GLN CA C 13 55.691 0.3 . 1 . . . . . 292 GLN CA . 50452 1 56 . 1 . 1 32 32 GLN CB C 13 32.386 0.3 . 1 . . . . . 292 GLN CB . 50452 1 57 . 1 . 1 32 32 GLN N N 15 120.286 0.3 . 1 . . . . . 292 GLN N . 50452 1 58 . 1 . 1 33 33 VAL H H 1 8.511 0.020 . 1 . . . . . 293 VAL H . 50452 1 59 . 1 . 1 33 33 VAL CA C 13 60.489 0.3 . 1 . . . . . 293 VAL CA . 50452 1 60 . 1 . 1 33 33 VAL CB C 13 33.580 0.3 . 1 . . . . . 293 VAL CB . 50452 1 61 . 1 . 1 33 33 VAL N N 15 125.583 0.3 . 1 . . . . . 293 VAL N . 50452 1 62 . 1 . 1 34 34 LEU H H 1 8.666 0.020 . 1 . . . . . 294 LEU H . 50452 1 63 . 1 . 1 34 34 LEU C C 13 175.621 0.3 . 1 . . . . . 294 LEU C . 50452 1 64 . 1 . 1 34 34 LEU CA C 13 53.273 0.3 . 1 . . . . . 294 LEU CA . 50452 1 65 . 1 . 1 34 34 LEU CB C 13 40.535 0.3 . 1 . . . . . 294 LEU CB . 50452 1 66 . 1 . 1 34 34 LEU N N 15 132.241 0.3 . 1 . . . . . 294 LEU N . 50452 1 67 . 1 . 1 37 37 SER H H 1 7.181 0.020 . 1 . . . . . 297 SER H . 50452 1 68 . 1 . 1 37 37 SER CA C 13 57.416 0.3 . 1 . . . . . 297 SER CA . 50452 1 69 . 1 . 1 37 37 SER CB C 13 67.186 0.3 . 1 . . . . . 297 SER CB . 50452 1 70 . 1 . 1 37 37 SER N N 15 114.680 0.3 . 1 . . . . . 297 SER N . 50452 1 71 . 1 . 1 39 39 ALA H H 1 7.982 0.020 . 1 . . . . . 299 ALA H . 50452 1 72 . 1 . 1 39 39 ALA C C 13 178.096 0.3 . 1 . . . . . 299 ALA C . 50452 1 73 . 1 . 1 39 39 ALA CA C 13 55.362 0.3 . 1 . . . . . 299 ALA CA . 50452 1 74 . 1 . 1 39 39 ALA CB C 13 19.599 0.3 . 1 . . . . . 299 ALA CB . 50452 1 75 . 1 . 1 39 39 ALA N N 15 123.637 0.3 . 1 . . . . . 299 ALA N . 50452 1 76 . 1 . 1 40 40 ALA H H 1 7.614 0.020 . 1 . . . . . 300 ALA H . 50452 1 77 . 1 . 1 40 40 ALA C C 13 182.309 0.3 . 1 . . . . . 300 ALA C . 50452 1 78 . 1 . 1 40 40 ALA CA C 13 55.329 0.3 . 1 . . . . . 300 ALA CA . 50452 1 79 . 1 . 1 40 40 ALA CB C 13 18.214 0.3 . 1 . . . . . 300 ALA CB . 50452 1 80 . 1 . 1 40 40 ALA N N 15 124.418 0.3 . 1 . . . . . 300 ALA N . 50452 1 81 . 1 . 1 41 41 LYS H H 1 8.053 0.020 . 1 . . . . . 301 LYS H . 50452 1 82 . 1 . 1 41 41 LYS C C 13 177.912 0.3 . 1 . . . . . 301 LYS C . 50452 1 83 . 1 . 1 41 41 LYS CA C 13 59.181 0.3 . 1 . . . . . 301 LYS CA . 50452 1 84 . 1 . 1 41 41 LYS CB C 13 32.363 0.3 . 1 . . . . . 301 LYS CB . 50452 1 85 . 1 . 1 41 41 LYS N N 15 121.697 0.3 . 1 . . . . . 301 LYS N . 50452 1 86 . 1 . 1 42 42 ALA H H 1 7.325 0.020 . 1 . . . . . 302 ALA H . 50452 1 87 . 1 . 1 42 42 ALA C C 13 177.427 0.3 . 1 . . . . . 302 ALA C . 50452 1 88 . 1 . 1 42 42 ALA CA C 13 52.595 0.3 . 1 . . . . . 302 ALA CA . 50452 1 89 . 1 . 1 42 42 ALA CB C 13 20.432 0.3 . 1 . . . . . 302 ALA CB . 50452 1 90 . 1 . 1 42 42 ALA N N 15 121.085 0.3 . 1 . . . . . 302 ALA N . 50452 1 91 . 1 . 1 43 43 GLY H H 1 7.351 0.020 . 1 . . . . . 303 GLY H . 50452 1 92 . 1 . 1 43 43 GLY C C 13 175.170 0.3 . 1 . . . . . 303 GLY C . 50452 1 93 . 1 . 1 43 43 GLY CA C 13 45.189 0.3 . 1 . . . . . 303 GLY CA . 50452 1 94 . 1 . 1 43 43 GLY N N 15 106.020 0.3 . 1 . . . . . 303 GLY N . 50452 1 95 . 1 . 1 44 44 ILE H H 1 7.370 0.020 . 1 . . . . . 304 ILE H . 50452 1 96 . 1 . 1 44 44 ILE C C 13 173.465 0.3 . 1 . . . . . 304 ILE C . 50452 1 97 . 1 . 1 44 44 ILE CA C 13 62.376 0.3 . 1 . . . . . 304 ILE CA . 50452 1 98 . 1 . 1 44 44 ILE CB C 13 36.509 0.3 . 1 . . . . . 304 ILE CB . 50452 1 99 . 1 . 1 44 44 ILE N N 15 123.674 0.3 . 1 . . . . . 304 ILE N . 50452 1 100 . 1 . 1 45 45 LYS H H 1 8.698 0.020 . 1 . . . . . 305 LYS H . 50452 1 101 . 1 . 1 45 45 LYS C C 13 175.086 0.3 . 1 . . . . . 305 LYS C . 50452 1 102 . 1 . 1 45 45 LYS CA C 13 54.439 0.3 . 1 . . . . . 305 LYS CA . 50452 1 103 . 1 . 1 45 45 LYS CB C 13 36.703 0.3 . 1 . . . . . 305 LYS CB . 50452 1 104 . 1 . 1 45 45 LYS N N 15 129.201 0.3 . 1 . . . . . 305 LYS N . 50452 1 105 . 1 . 1 46 46 ALA H H 1 8.146 0.020 . 1 . . . . . 306 ALA H . 50452 1 106 . 1 . 1 46 46 ALA C C 13 178.932 0.3 . 1 . . . . . 306 ALA C . 50452 1 107 . 1 . 1 46 46 ALA CA C 13 53.188 0.3 . 1 . . . . . 306 ALA CA . 50452 1 108 . 1 . 1 46 46 ALA CB C 13 18.161 0.3 . 1 . . . . . 306 ALA CB . 50452 1 109 . 1 . 1 46 46 ALA N N 15 124.298 0.3 . 1 . . . . . 306 ALA N . 50452 1 110 . 1 . 1 48 48 ASP H H 1 7.407 0.020 . 1 . . . . . 308 ASP H . 50452 1 111 . 1 . 1 48 48 ASP C C 13 174.769 0.3 . 1 . . . . . 308 ASP C . 50452 1 112 . 1 . 1 48 48 ASP CA C 13 55.493 0.3 . 1 . . . . . 308 ASP CA . 50452 1 113 . 1 . 1 48 48 ASP CB C 13 42.068 0.3 . 1 . . . . . 308 ASP CB . 50452 1 114 . 1 . 1 48 48 ASP N N 15 123.694 0.3 . 1 . . . . . 308 ASP N . 50452 1 115 . 1 . 1 49 49 VAL H H 1 7.602 0.020 . 1 . . . . . 309 VAL H . 50452 1 116 . 1 . 1 49 49 VAL C C 13 176.257 0.3 . 1 . . . . . 309 VAL C . 50452 1 117 . 1 . 1 49 49 VAL CA C 13 60.557 0.3 . 1 . . . . . 309 VAL CA . 50452 1 118 . 1 . 1 49 49 VAL CB C 13 34.480 0.3 . 1 . . . . . 309 VAL CB . 50452 1 119 . 1 . 1 49 49 VAL N N 15 119.685 0.3 . 1 . . . . . 309 VAL N . 50452 1 120 . 1 . 1 50 50 ILE H H 1 9.101 0.020 . 1 . . . . . 310 ILE H . 50452 1 121 . 1 . 1 50 50 ILE C C 13 176.253 0.3 . 1 . . . . . 310 ILE C . 50452 1 122 . 1 . 1 50 50 ILE CA C 13 61.320 0.3 . 1 . . . . . 310 ILE CA . 50452 1 123 . 1 . 1 50 50 ILE CB C 13 39.002 0.3 . 1 . . . . . 310 ILE CB . 50452 1 124 . 1 . 1 50 50 ILE N N 15 129.595 0.3 . 1 . . . . . 310 ILE N . 50452 1 125 . 1 . 1 51 51 THR H H 1 9.006 0.020 . 1 . . . . . 311 THR H . 50452 1 126 . 1 . 1 51 51 THR C C 13 176.725 0.3 . 1 . . . . . 311 THR C . 50452 1 127 . 1 . 1 51 51 THR CA C 13 61.684 0.3 . 1 . . . . . 311 THR CA . 50452 1 128 . 1 . 1 51 51 THR CB C 13 70.232 0.3 . 1 . . . . . 311 THR CB . 50452 1 129 . 1 . 1 51 51 THR N N 15 118.529 0.3 . 1 . . . . . 311 THR N . 50452 1 130 . 1 . 1 52 52 SER H H 1 7.967 0.020 . 1 . . . . . 312 SER H . 50452 1 131 . 1 . 1 52 52 SER C C 13 172.060 0.3 . 1 . . . . . 312 SER C . 50452 1 132 . 1 . 1 52 52 SER CA C 13 58.325 0.3 . 1 . . . . . 312 SER CA . 50452 1 133 . 1 . 1 52 52 SER CB C 13 65.825 0.3 . 1 . . . . . 312 SER CB . 50452 1 134 . 1 . 1 52 52 SER N N 15 120.009 0.3 . 1 . . . . . 312 SER N . 50452 1 135 . 1 . 1 53 53 LEU H H 1 8.578 0.020 . 1 . . . . . 313 LEU H . 50452 1 136 . 1 . 1 53 53 LEU C C 13 175.755 0.3 . 1 . . . . . 313 LEU C . 50452 1 137 . 1 . 1 53 53 LEU CA C 13 54.341 0.3 . 1 . . . . . 313 LEU CA . 50452 1 138 . 1 . 1 53 53 LEU CB C 13 45.210 0.3 . 1 . . . . . 313 LEU CB . 50452 1 139 . 1 . 1 53 53 LEU N N 15 124.228 0.3 . 1 . . . . . 313 LEU N . 50452 1 140 . 1 . 1 54 54 ASN H H 1 9.752 0.020 . 1 . . . . . 314 ASN H . 50452 1 141 . 1 . 1 54 54 ASN C C 13 175.270 0.3 . 1 . . . . . 314 ASN C . 50452 1 142 . 1 . 1 54 54 ASN CA C 13 54.176 0.3 . 1 . . . . . 314 ASN CA . 50452 1 143 . 1 . 1 54 54 ASN CB C 13 36.494 0.3 . 1 . . . . . 314 ASN CB . 50452 1 144 . 1 . 1 54 54 ASN N N 15 130.946 0.3 . 1 . . . . . 314 ASN N . 50452 1 145 . 1 . 1 55 55 GLY H H 1 8.741 0.020 . 1 . . . . . 315 GLY H . 50452 1 146 . 1 . 1 55 55 GLY C C 13 173.966 0.3 . 1 . . . . . 315 GLY C . 50452 1 147 . 1 . 1 55 55 GLY CA C 13 44.887 0.3 . 1 . . . . . 315 GLY CA . 50452 1 148 . 1 . 1 55 55 GLY N N 15 105.196 0.3 . 1 . . . . . 315 GLY N . 50452 1 149 . 1 . 1 56 56 LYS H H 1 7.653 0.020 . 1 . . . . . 316 LYS H . 50452 1 150 . 1 . 1 56 56 LYS CA C 13 52.892 0.3 . 1 . . . . . 316 LYS CA . 50452 1 151 . 1 . 1 56 56 LYS CB C 13 33.254 0.3 . 1 . . . . . 316 LYS CB . 50452 1 152 . 1 . 1 56 56 LYS N N 15 124.547 0.3 . 1 . . . . . 316 LYS N . 50452 1 153 . 1 . 1 58 58 ILE H H 1 7.517 0.020 . 1 . . . . . 318 ILE H . 50452 1 154 . 1 . 1 58 58 ILE C C 13 175.287 0.3 . 1 . . . . . 318 ILE C . 50452 1 155 . 1 . 1 58 58 ILE CA C 13 62.743 0.3 . 1 . . . . . 318 ILE CA . 50452 1 156 . 1 . 1 58 58 ILE CB C 13 44.726 0.3 . 1 . . . . . 318 ILE CB . 50452 1 157 . 1 . 1 58 58 ILE N N 15 123.597 0.3 . 1 . . . . . 318 ILE N . 50452 1 158 . 1 . 1 62 62 ALA H H 1 8.839 0.020 . 1 . . . . . 322 ALA H . 50452 1 159 . 1 . 1 62 62 ALA CA C 13 55.366 0.3 . 1 . . . . . 322 ALA CA . 50452 1 160 . 1 . 1 62 62 ALA CB C 13 17.741 0.3 . 1 . . . . . 322 ALA CB . 50452 1 161 . 1 . 1 62 62 ALA N N 15 125.546 0.3 . 1 . . . . . 322 ALA N . 50452 1 162 . 1 . 1 63 63 ALA H H 1 8.136 0.020 . 1 . . . . . 323 ALA H . 50452 1 163 . 1 . 1 63 63 ALA C C 13 180.152 0.3 . 1 . . . . . 323 ALA C . 50452 1 164 . 1 . 1 63 63 ALA CA C 13 54.933 0.3 . 1 . . . . . 323 ALA CA . 50452 1 165 . 1 . 1 63 63 ALA CB C 13 18.636 0.3 . 1 . . . . . 323 ALA CB . 50452 1 166 . 1 . 1 63 63 ALA N N 15 123.487 0.3 . 1 . . . . . 323 ALA N . 50452 1 167 . 1 . 1 64 64 LEU H H 1 7.246 0.020 . 1 . . . . . 324 LEU H . 50452 1 168 . 1 . 1 64 64 LEU C C 13 177.778 0.3 . 1 . . . . . 324 LEU C . 50452 1 169 . 1 . 1 64 64 LEU CA C 13 58.556 0.3 . 1 . . . . . 324 LEU CA . 50452 1 170 . 1 . 1 64 64 LEU CB C 13 41.457 0.3 . 1 . . . . . 324 LEU CB . 50452 1 171 . 1 . 1 64 64 LEU N N 15 122.557 0.3 . 1 . . . . . 324 LEU N . 50452 1 172 . 1 . 1 65 65 ARG H H 1 8.108 0.020 . 1 . . . . . 325 ARG H . 50452 1 173 . 1 . 1 65 65 ARG C C 13 179.467 0.3 . 1 . . . . . 325 ARG C . 50452 1 174 . 1 . 1 65 65 ARG CA C 13 59.807 0.3 . 1 . . . . . 325 ARG CA . 50452 1 175 . 1 . 1 65 65 ARG CB C 13 29.943 0.3 . 1 . . . . . 325 ARG CB . 50452 1 176 . 1 . 1 65 65 ARG N N 15 119.652 0.3 . 1 . . . . . 325 ARG N . 50452 1 177 . 1 . 1 66 66 ALA H H 1 7.665 0.020 . 1 . . . . . 326 ALA H . 50452 1 178 . 1 . 1 66 66 ALA C C 13 180.303 0.3 . 1 . . . . . 326 ALA C . 50452 1 179 . 1 . 1 66 66 ALA CA C 13 54.835 0.3 . 1 . . . . . 326 ALA CA . 50452 1 180 . 1 . 1 66 66 ALA CB C 13 18.310 0.3 . 1 . . . . . 326 ALA CB . 50452 1 181 . 1 . 1 66 66 ALA N N 15 123.677 0.3 . 1 . . . . . 326 ALA N . 50452 1 182 . 1 . 1 67 67 GLN H H 1 7.770 0.020 . 1 . . . . . 327 GLN H . 50452 1 183 . 1 . 1 67 67 GLN C C 13 179.617 0.3 . 1 . . . . . 327 GLN C . 50452 1 184 . 1 . 1 67 67 GLN CA C 13 58.819 0.3 . 1 . . . . . 327 GLN CA . 50452 1 185 . 1 . 1 67 67 GLN CB C 13 29.081 0.3 . 1 . . . . . 327 GLN CB . 50452 1 186 . 1 . 1 67 67 GLN N N 15 119.482 0.3 . 1 . . . . . 327 GLN N . 50452 1 187 . 1 . 1 68 68 VAL H H 1 8.241 0.020 . 1 . . . . . 328 VAL H . 50452 1 188 . 1 . 1 68 68 VAL C C 13 178.196 0.3 . 1 . . . . . 328 VAL C . 50452 1 189 . 1 . 1 68 68 VAL CA C 13 65.468 0.3 . 1 . . . . . 328 VAL CA . 50452 1 190 . 1 . 1 68 68 VAL CB C 13 31.626 0.3 . 1 . . . . . 328 VAL CB . 50452 1 191 . 1 . 1 68 68 VAL N N 15 121.023 0.3 . 1 . . . . . 328 VAL N . 50452 1 192 . 1 . 1 69 69 GLY H H 1 7.570 0.020 . 1 . . . . . 329 GLY H . 50452 1 193 . 1 . 1 69 69 GLY C C 13 174.602 0.3 . 1 . . . . . 329 GLY C . 50452 1 194 . 1 . 1 69 69 GLY CA C 13 46.449 0.3 . 1 . . . . . 329 GLY CA . 50452 1 195 . 1 . 1 69 69 GLY N N 15 107.747 0.3 . 1 . . . . . 329 GLY N . 50452 1 196 . 1 . 1 70 70 THR H H 1 7.009 0.020 . 1 . . . . . 330 THR H . 50452 1 197 . 1 . 1 70 70 THR C C 13 175.031 0.3 . 1 . . . . . 330 THR C . 50452 1 198 . 1 . 1 70 70 THR CA C 13 61.221 0.3 . 1 . . . . . 330 THR CA . 50452 1 199 . 1 . 1 70 70 THR CB C 13 69.851 0.3 . 1 . . . . . 330 THR CB . 50452 1 200 . 1 . 1 70 70 THR N N 15 110.248 0.3 . 1 . . . . . 330 THR N . 50452 1 201 . 1 . 1 71 71 MET H H 1 7.372 0.020 . 1 . . . . . 331 MET H . 50452 1 202 . 1 . 1 71 71 MET C C 13 174.114 0.3 . 1 . . . . . 331 MET C . 50452 1 203 . 1 . 1 71 71 MET CA C 13 54.305 0.3 . 1 . . . . . 331 MET CA . 50452 1 204 . 1 . 1 71 71 MET CB C 13 32.127 0.3 . 1 . . . . . 331 MET CB . 50452 1 205 . 1 . 1 71 71 MET N N 15 126.091 0.3 . 1 . . . . . 331 MET N . 50452 1 206 . 1 . 1 73 73 VAL H H 1 8.481 0.020 . 1 . . . . . 333 VAL H . 50452 1 207 . 1 . 1 73 73 VAL CA C 13 65.234 0.3 . 1 . . . . . 333 VAL CA . 50452 1 208 . 1 . 1 73 73 VAL CB C 13 31.343 0.3 . 1 . . . . . 333 VAL CB . 50452 1 209 . 1 . 1 73 73 VAL N N 15 126.049 0.3 . 1 . . . . . 333 VAL N . 50452 1 210 . 1 . 1 74 74 GLY H H 1 8.641 0.020 . 1 . . . . . 334 GLY H . 50452 1 211 . 1 . 1 74 74 GLY C C 13 174.602 0.3 . 1 . . . . . 334 GLY C . 50452 1 212 . 1 . 1 74 74 GLY CA C 13 44.428 0.3 . 1 . . . . . 334 GLY CA . 50452 1 213 . 1 . 1 74 74 GLY N N 15 117.943 0.3 . 1 . . . . . 334 GLY N . 50452 1 214 . 1 . 1 75 75 SER H H 1 7.451 0.020 . 1 . . . . . 335 SER H . 50452 1 215 . 1 . 1 75 75 SER C C 13 172.495 0.3 . 1 . . . . . 335 SER C . 50452 1 216 . 1 . 1 75 75 SER CA C 13 60.397 0.3 . 1 . . . . . 335 SER CA . 50452 1 217 . 1 . 1 75 75 SER CB C 13 64.219 0.3 . 1 . . . . . 335 SER CB . 50452 1 218 . 1 . 1 75 75 SER N N 15 117.865 0.3 . 1 . . . . . 335 SER N . 50452 1 219 . 1 . 1 76 76 LYS H H 1 8.371 0.020 . 1 . . . . . 336 LYS H . 50452 1 220 . 1 . 1 76 76 LYS C C 13 175.989 0.3 . 1 . . . . . 336 LYS C . 50452 1 221 . 1 . 1 76 76 LYS CA C 13 55.456 0.3 . 1 . . . . . 336 LYS CA . 50452 1 222 . 1 . 1 76 76 LYS CB C 13 32.613 0.3 . 1 . . . . . 336 LYS CB . 50452 1 223 . 1 . 1 76 76 LYS N N 15 125.807 0.3 . 1 . . . . . 336 LYS N . 50452 1 224 . 1 . 1 77 77 LEU H H 1 8.835 0.020 . 1 . . . . . 337 LEU H . 50452 1 225 . 1 . 1 77 77 LEU C C 13 175.822 0.3 . 1 . . . . . 337 LEU C . 50452 1 226 . 1 . 1 77 77 LEU CA C 13 54.209 0.3 . 1 . . . . . 337 LEU CA . 50452 1 227 . 1 . 1 77 77 LEU CB C 13 44.555 0.3 . 1 . . . . . 337 LEU CB . 50452 1 228 . 1 . 1 77 77 LEU N N 15 126.196 0.3 . 1 . . . . . 337 LEU N . 50452 1 229 . 1 . 1 78 78 THR H H 1 8.372 0.020 . 1 . . . . . 338 THR H . 50452 1 230 . 1 . 1 78 78 THR C C 13 174.752 0.3 . 1 . . . . . 338 THR C . 50452 1 231 . 1 . 1 78 78 THR CA C 13 61.322 0.3 . 1 . . . . . 338 THR CA . 50452 1 232 . 1 . 1 78 78 THR CB C 13 70.519 0.3 . 1 . . . . . 338 THR CB . 50452 1 233 . 1 . 1 78 78 THR N N 15 119.207 0.3 . 1 . . . . . 338 THR N . 50452 1 234 . 1 . 1 79 79 LEU H H 1 8.992 0.020 . 1 . . . . . 339 LEU H . 50452 1 235 . 1 . 1 79 79 LEU C C 13 175.153 0.3 . 1 . . . . . 339 LEU C . 50452 1 236 . 1 . 1 79 79 LEU CA C 13 53.605 0.3 . 1 . . . . . 339 LEU CA . 50452 1 237 . 1 . 1 79 79 LEU CB C 13 44.079 0.3 . 1 . . . . . 339 LEU CB . 50452 1 238 . 1 . 1 79 79 LEU N N 15 130.774 0.3 . 1 . . . . . 339 LEU N . 50452 1 239 . 1 . 1 80 80 GLY H H 1 8.079 0.020 . 1 . . . . . 340 GLY H . 50452 1 240 . 1 . 1 80 80 GLY C C 13 173.114 0.3 . 1 . . . . . 340 GLY C . 50452 1 241 . 1 . 1 80 80 GLY CA C 13 44.544 0.3 . 1 . . . . . 340 GLY CA . 50452 1 242 . 1 . 1 80 80 GLY N N 15 114.175 0.3 . 1 . . . . . 340 GLY N . 50452 1 243 . 1 . 1 81 81 LEU H H 1 9.085 0.020 . 1 . . . . . 341 LEU H . 50452 1 244 . 1 . 1 81 81 LEU C C 13 175.705 0.3 . 1 . . . . . 341 LEU C . 50452 1 245 . 1 . 1 81 81 LEU CA C 13 53.089 0.3 . 1 . . . . . 341 LEU CA . 50452 1 246 . 1 . 1 81 81 LEU CB C 13 46.110 0.3 . 1 . . . . . 341 LEU CB . 50452 1 247 . 1 . 1 81 81 LEU N N 15 126.195 0.3 . 1 . . . . . 341 LEU N . 50452 1 248 . 1 . 1 82 82 LEU H H 1 9.007 0.020 . 1 . . . . . 342 LEU H . 50452 1 249 . 1 . 1 82 82 LEU C C 13 176.558 0.3 . 1 . . . . . 342 LEU C . 50452 1 250 . 1 . 1 82 82 LEU CA C 13 53.781 0.3 . 1 . . . . . 342 LEU CA . 50452 1 251 . 1 . 1 82 82 LEU CB C 13 44.577 0.3 . 1 . . . . . 342 LEU CB . 50452 1 252 . 1 . 1 82 82 LEU N N 15 124.370 0.3 . 1 . . . . . 342 LEU N . 50452 1 253 . 1 . 1 83 83 ARG H H 1 8.900 0.020 . 1 . . . . . 343 ARG H . 50452 1 254 . 1 . 1 83 83 ARG C C 13 175.872 0.3 . 1 . . . . . 343 ARG C . 50452 1 255 . 1 . 1 83 83 ARG CA C 13 55.263 0.3 . 1 . . . . . 343 ARG CA . 50452 1 256 . 1 . 1 83 83 ARG CB C 13 33.446 0.3 . 1 . . . . . 343 ARG CB . 50452 1 257 . 1 . 1 83 83 ARG N N 15 129.526 0.3 . 1 . . . . . 343 ARG N . 50452 1 258 . 1 . 1 84 84 ASP H H 1 9.365 0.020 . 1 . . . . . 344 ASP H . 50452 1 259 . 1 . 1 84 84 ASP C C 13 176.156 0.3 . 1 . . . . . 344 ASP C . 50452 1 260 . 1 . 1 84 84 ASP CA C 13 55.757 0.3 . 1 . . . . . 344 ASP CA . 50452 1 261 . 1 . 1 84 84 ASP CB C 13 40.056 0.3 . 1 . . . . . 344 ASP CB . 50452 1 262 . 1 . 1 84 84 ASP N N 15 132.908 0.3 . 1 . . . . . 344 ASP N . 50452 1 263 . 1 . 1 85 85 GLY H H 1 8.456 0.020 . 1 . . . . . 345 GLY H . 50452 1 264 . 1 . 1 85 85 GLY C C 13 173.849 0.3 . 1 . . . . . 345 GLY C . 50452 1 265 . 1 . 1 85 85 GLY CA C 13 45.487 0.3 . 1 . . . . . 345 GLY CA . 50452 1 266 . 1 . 1 85 85 GLY N N 15 104.985 0.3 . 1 . . . . . 345 GLY N . 50452 1 267 . 1 . 1 86 86 LYS H H 1 7.700 0.020 . 1 . . . . . 346 LYS H . 50452 1 268 . 1 . 1 86 86 LYS C C 13 174.969 0.3 . 1 . . . . . 346 LYS C . 50452 1 269 . 1 . 1 86 86 LYS CA C 13 54.604 0.3 . 1 . . . . . 346 LYS CA . 50452 1 270 . 1 . 1 86 86 LYS CB C 13 34.883 0.3 . 1 . . . . . 346 LYS CB . 50452 1 271 . 1 . 1 86 86 LYS N N 15 123.494 0.3 . 1 . . . . . 346 LYS N . 50452 1 272 . 1 . 1 87 87 GLN H H 1 8.232 0.020 . 1 . . . . . 347 GLN H . 50452 1 273 . 1 . 1 87 87 GLN C C 13 176.156 0.3 . 1 . . . . . 347 GLN C . 50452 1 274 . 1 . 1 87 87 GLN CA C 13 55.779 0.3 . 1 . . . . . 347 GLN CA . 50452 1 275 . 1 . 1 87 87 GLN CB C 13 28.978 0.3 . 1 . . . . . 347 GLN CB . 50452 1 276 . 1 . 1 87 87 GLN N N 15 124.058 0.3 . 1 . . . . . 347 GLN N . 50452 1 277 . 1 . 1 88 88 VAL H H 1 8.930 0.020 . 1 . . . . . 348 VAL H . 50452 1 278 . 1 . 1 88 88 VAL C C 13 173.866 0.3 . 1 . . . . . 348 VAL C . 50452 1 279 . 1 . 1 88 88 VAL CA C 13 61.157 0.3 . 1 . . . . . 348 VAL CA . 50452 1 280 . 1 . 1 88 88 VAL CB C 13 35.730 0.3 . 1 . . . . . 348 VAL CB . 50452 1 281 . 1 . 1 88 88 VAL N N 15 129.749 0.3 . 1 . . . . . 348 VAL N . 50452 1 282 . 1 . 1 89 89 ASN H H 1 8.353 0.020 . 1 . . . . . 349 ASN H . 50452 1 283 . 1 . 1 89 89 ASN C C 13 175.103 0.3 . 1 . . . . . 349 ASN C . 50452 1 284 . 1 . 1 89 89 ASN CA C 13 51.752 0.3 . 1 . . . . . 349 ASN CA . 50452 1 285 . 1 . 1 89 89 ASN CB C 13 40.832 0.3 . 1 . . . . . 349 ASN CB . 50452 1 286 . 1 . 1 89 89 ASN N N 15 126.030 0.3 . 1 . . . . . 349 ASN N . 50452 1 287 . 1 . 1 90 90 VAL H H 1 8.834 0.020 . 1 . . . . . 350 VAL H . 50452 1 288 . 1 . 1 90 90 VAL C C 13 173.849 0.3 . 1 . . . . . 350 VAL C . 50452 1 289 . 1 . 1 90 90 VAL CA C 13 59.847 0.3 . 1 . . . . . 350 VAL CA . 50452 1 290 . 1 . 1 90 90 VAL CB C 13 34.846 0.3 . 1 . . . . . 350 VAL CB . 50452 1 291 . 1 . 1 90 90 VAL N N 15 120.784 0.3 . 1 . . . . . 350 VAL N . 50452 1 292 . 1 . 1 91 91 ASN H H 1 8.500 0.020 . 1 . . . . . 351 ASN H . 50452 1 293 . 1 . 1 91 91 ASN CA C 13 52.101 0.3 . 1 . . . . . 351 ASN CA . 50452 1 294 . 1 . 1 91 91 ASN CB C 13 40.196 0.3 . 1 . . . . . 351 ASN CB . 50452 1 295 . 1 . 1 91 91 ASN N N 15 125.334 0.3 . 1 . . . . . 351 ASN N . 50452 1 296 . 1 . 1 92 92 LEU H H 1 8.779 0.020 . 1 . . . . . 352 LEU H . 50452 1 297 . 1 . 1 92 92 LEU C C 13 174.234 0.3 . 1 . . . . . 352 LEU C . 50452 1 298 . 1 . 1 92 92 LEU CA C 13 54.662 0.3 . 1 . . . . . 352 LEU CA . 50452 1 299 . 1 . 1 92 92 LEU CB C 13 45.210 0.3 . 1 . . . . . 352 LEU CB . 50452 1 300 . 1 . 1 92 92 LEU N N 15 125.090 0.3 . 1 . . . . . 352 LEU N . 50452 1 301 . 1 . 1 93 93 GLU H H 1 8.223 0.020 . 1 . . . . . 353 GLU H . 50452 1 302 . 1 . 1 93 93 GLU C C 13 176.307 0.3 . 1 . . . . . 353 GLU C . 50452 1 303 . 1 . 1 93 93 GLU CA C 13 54.505 0.3 . 1 . . . . . 353 GLU CA . 50452 1 304 . 1 . 1 93 93 GLU CB C 13 31.891 0.3 . 1 . . . . . 353 GLU CB . 50452 1 305 . 1 . 1 93 93 GLU N N 15 125.699 0.3 . 1 . . . . . 353 GLU N . 50452 1 306 . 1 . 1 94 94 LEU H H 1 8.483 0.020 . 1 . . . . . 354 LEU H . 50452 1 307 . 1 . 1 94 94 LEU C C 13 176.390 0.3 . 1 . . . . . 354 LEU C . 50452 1 308 . 1 . 1 94 94 LEU CA C 13 55.362 0.3 . 1 . . . . . 354 LEU CA . 50452 1 309 . 1 . 1 94 94 LEU CB C 13 42.547 0.3 . 1 . . . . . 354 LEU CB . 50452 1 310 . 1 . 1 94 94 LEU N N 15 129.431 0.3 . 1 . . . . . 354 LEU N . 50452 1 311 . 1 . 1 95 95 GLN H H 1 8.061 0.020 . 1 . . . . . 355 GLN H . 50452 1 312 . 1 . 1 95 95 GLN C C 13 175.320 0.3 . 1 . . . . . 355 GLN C . 50452 1 313 . 1 . 1 95 95 GLN CA C 13 55.098 0.3 . 1 . . . . . 355 GLN CA . 50452 1 314 . 1 . 1 95 95 GLN CB C 13 31.243 0.3 . 1 . . . . . 355 GLN CB . 50452 1 315 . 1 . 1 95 95 GLN N N 15 128.530 0.3 . 1 . . . . . 355 GLN N . 50452 1 316 . 1 . 1 96 96 GLN H H 1 8.483 0.020 . 1 . . . . . 356 GLN H . 50452 1 317 . 1 . 1 96 96 GLN C C 13 177.444 0.3 . 1 . . . . . 356 GLN C . 50452 1 318 . 1 . 1 96 96 GLN CA C 13 55.732 0.3 . 1 . . . . . 356 GLN CA . 50452 1 319 . 1 . 1 96 96 GLN CB C 13 29.603 0.3 . 1 . . . . . 356 GLN CB . 50452 1 320 . 1 . 1 96 96 GLN N N 15 122.492 0.3 . 1 . . . . . 356 GLN N . 50452 1 321 . 1 . 1 102 102 VAL H H 1 8.006 0.020 . 1 . . . . . 362 VAL H . 50452 1 322 . 1 . 1 102 102 VAL CA C 13 62.188 0.3 . 1 . . . . . 362 VAL CA . 50452 1 323 . 1 . 1 102 102 VAL CB C 13 32.663 0.3 . 1 . . . . . 362 VAL CB . 50452 1 324 . 1 . 1 102 102 VAL N N 15 123.951 0.3 . 1 . . . . . 362 VAL N . 50452 1 325 . 1 . 1 103 103 ASP H H 1 8.257 0.020 . 1 . . . . . 363 ASP H . 50452 1 326 . 1 . 1 103 103 ASP C C 13 175.605 0.3 . 1 . . . . . 363 ASP C . 50452 1 327 . 1 . 1 103 103 ASP CA C 13 54.242 0.3 . 1 . . . . . 363 ASP CA . 50452 1 328 . 1 . 1 103 103 ASP CB C 13 41.168 0.3 . 1 . . . . . 363 ASP CB . 50452 1 329 . 1 . 1 103 103 ASP N N 15 126.935 0.3 . 1 . . . . . 363 ASP N . 50452 1 330 . 1 . 1 107 107 ILE H H 1 7.613 0.020 . 1 . . . . . 367 ILE H . 50452 1 331 . 1 . 1 107 107 ILE C C 13 175.371 0.3 . 1 . . . . . 367 ILE C . 50452 1 332 . 1 . 1 107 107 ILE CA C 13 60.532 0.3 . 1 . . . . . 367 ILE CA . 50452 1 333 . 1 . 1 107 107 ILE CB C 13 39.734 0.3 . 1 . . . . . 367 ILE CB . 50452 1 334 . 1 . 1 107 107 ILE N N 15 123.556 0.3 . 1 . . . . . 367 ILE N . 50452 1 335 . 1 . 1 108 108 PHE H H 1 8.681 0.020 . 1 . . . . . 368 PHE H . 50452 1 336 . 1 . 1 108 108 PHE C C 13 175.070 0.3 . 1 . . . . . 368 PHE C . 50452 1 337 . 1 . 1 108 108 PHE CA C 13 56.737 0.3 . 1 . . . . . 368 PHE CA . 50452 1 338 . 1 . 1 108 108 PHE CB C 13 41.148 0.3 . 1 . . . . . 368 PHE CB . 50452 1 339 . 1 . 1 108 108 PHE N N 15 127.381 0.3 . 1 . . . . . 368 PHE N . 50452 1 340 . 1 . 1 111 111 ILE H H 1 7.325 0.020 . 1 . . . . . 371 ILE H . 50452 1 341 . 1 . 1 111 111 ILE C C 13 174.902 0.3 . 1 . . . . . 371 ILE C . 50452 1 342 . 1 . 1 111 111 ILE CA C 13 60.861 0.3 . 1 . . . . . 371 ILE CA . 50452 1 343 . 1 . 1 111 111 ILE CB C 13 37.249 0.3 . 1 . . . . . 371 ILE CB . 50452 1 344 . 1 . 1 111 111 ILE N N 15 121.987 0.3 . 1 . . . . . 371 ILE N . 50452 1 345 . 1 . 1 112 112 GLU H H 1 8.357 0.020 . 1 . . . . . 372 GLU H . 50452 1 346 . 1 . 1 112 112 GLU C C 13 175.672 0.3 . 1 . . . . . 372 GLU C . 50452 1 347 . 1 . 1 112 112 GLU CA C 13 59.116 0.3 . 1 . . . . . 372 GLU CA . 50452 1 348 . 1 . 1 112 112 GLU CB C 13 29.522 0.3 . 1 . . . . . 372 GLU CB . 50452 1 349 . 1 . 1 112 112 GLU N N 15 130.266 0.3 . 1 . . . . . 372 GLU N . 50452 1 350 . 1 . 1 113 113 GLY H H 1 8.428 0.020 . 1 . . . . . 373 GLY H . 50452 1 351 . 1 . 1 113 113 GLY C C 13 174.167 0.3 . 1 . . . . . 373 GLY C . 50452 1 352 . 1 . 1 113 113 GLY CA C 13 44.528 0.3 . 1 . . . . . 373 GLY CA . 50452 1 353 . 1 . 1 113 113 GLY N N 15 115.865 0.3 . 1 . . . . . 373 GLY N . 50452 1 354 . 1 . 1 114 114 ALA H H 1 8.063 0.020 . 1 . . . . . 374 ALA H . 50452 1 355 . 1 . 1 114 114 ALA C C 13 176.207 0.3 . 1 . . . . . 374 ALA C . 50452 1 356 . 1 . 1 114 114 ALA CA C 13 49.730 0.3 . 1 . . . . . 374 ALA CA . 50452 1 357 . 1 . 1 114 114 ALA CB C 13 21.280 0.3 . 1 . . . . . 374 ALA CB . 50452 1 358 . 1 . 1 114 114 ALA N N 15 125.109 0.3 . 1 . . . . . 374 ALA N . 50452 1 359 . 1 . 1 115 115 GLU H H 1 7.848 0.020 . 1 . . . . . 375 GLU H . 50452 1 360 . 1 . 1 115 115 GLU C C 13 176.123 0.3 . 1 . . . . . 375 GLU C . 50452 1 361 . 1 . 1 115 115 GLU CA C 13 55.597 0.3 . 1 . . . . . 375 GLU CA . 50452 1 362 . 1 . 1 115 115 GLU CB C 13 32.009 0.3 . 1 . . . . . 375 GLU CB . 50452 1 363 . 1 . 1 115 115 GLU N N 15 124.479 0.3 . 1 . . . . . 375 GLU N . 50452 1 364 . 1 . 1 116 116 MET H H 1 8.415 0.020 . 1 . . . . . 376 MET H . 50452 1 365 . 1 . 1 116 116 MET C C 13 174.602 0.3 . 1 . . . . . 376 MET C . 50452 1 366 . 1 . 1 116 116 MET CA C 13 54.725 0.3 . 1 . . . . . 376 MET CA . 50452 1 367 . 1 . 1 116 116 MET CB C 13 37.129 0.3 . 1 . . . . . 376 MET CB . 50452 1 368 . 1 . 1 116 116 MET N N 15 125.669 0.3 . 1 . . . . . 376 MET N . 50452 1 369 . 1 . 1 117 117 SER H H 1 8.757 0.020 . 1 . . . . . 377 SER H . 50452 1 370 . 1 . 1 117 117 SER C C 13 173.097 0.3 . 1 . . . . . 377 SER C . 50452 1 371 . 1 . 1 117 117 SER CA C 13 57.021 0.3 . 1 . . . . . 377 SER CA . 50452 1 372 . 1 . 1 117 117 SER CB C 13 66.146 0.3 . 1 . . . . . 377 SER CB . 50452 1 373 . 1 . 1 117 117 SER N N 15 116.309 0.3 . 1 . . . . . 377 SER N . 50452 1 374 . 1 . 1 118 118 ASN H H 1 8.823 0.020 . 1 . . . . . 378 ASN H . 50452 1 375 . 1 . 1 118 118 ASN CA C 13 54.237 0.3 . 1 . . . . . 378 ASN CA . 50452 1 376 . 1 . 1 118 118 ASN CB C 13 37.493 0.3 . 1 . . . . . 378 ASN CB . 50452 1 377 . 1 . 1 118 118 ASN N N 15 122.929 0.3 . 1 . . . . . 378 ASN N . 50452 1 378 . 1 . 1 119 119 LYS H H 1 8.532 0.020 . 1 . . . . . 379 LYS H . 50452 1 379 . 1 . 1 119 119 LYS C C 13 175.705 0.3 . 1 . . . . . 379 LYS C . 50452 1 380 . 1 . 1 119 119 LYS CA C 13 57.196 0.3 . 1 . . . . . 379 LYS CA . 50452 1 381 . 1 . 1 119 119 LYS CB C 13 32.741 0.3 . 1 . . . . . 379 LYS CB . 50452 1 382 . 1 . 1 119 119 LYS N N 15 128.400 0.3 . 1 . . . . . 379 LYS N . 50452 1 383 . 1 . 1 120 120 GLY H H 1 8.734 0.020 . 1 . . . . . 380 GLY H . 50452 1 384 . 1 . 1 120 120 GLY CA C 13 44.622 0.3 . 1 . . . . . 380 GLY CA . 50452 1 385 . 1 . 1 120 120 GLY N N 15 113.154 0.3 . 1 . . . . . 380 GLY N . 50452 1 386 . 1 . 1 122 122 ASP H H 1 8.388 0.020 . 1 . . . . . 382 ASP H . 50452 1 387 . 1 . 1 122 122 ASP C C 13 176.240 0.3 . 1 . . . . . 382 ASP C . 50452 1 388 . 1 . 1 122 122 ASP CA C 13 55.691 0.3 . 1 . . . . . 382 ASP CA . 50452 1 389 . 1 . 1 122 122 ASP CB C 13 38.718 0.3 . 1 . . . . . 382 ASP CB . 50452 1 390 . 1 . 1 122 122 ASP N N 15 120.575 0.3 . 1 . . . . . 382 ASP N . 50452 1 391 . 1 . 1 123 123 GLN H H 1 7.232 0.020 . 1 . . . . . 383 GLN H . 50452 1 392 . 1 . 1 123 123 GLN C C 13 174.904 0.3 . 1 . . . . . 383 GLN C . 50452 1 393 . 1 . 1 123 123 GLN CA C 13 55.460 0.3 . 1 . . . . . 383 GLN CA . 50452 1 394 . 1 . 1 123 123 GLN CB C 13 29.564 0.3 . 1 . . . . . 383 GLN CB . 50452 1 395 . 1 . 1 123 123 GLN N N 15 116.217 0.3 . 1 . . . . . 383 GLN N . 50452 1 396 . 1 . 1 124 124 GLY H H 1 7.824 0.020 . 1 . . . . . 384 GLY H . 50452 1 397 . 1 . 1 124 124 GLY C C 13 173.130 0.3 . 1 . . . . . 384 GLY C . 50452 1 398 . 1 . 1 124 124 GLY CA C 13 43.114 0.3 . 1 . . . . . 384 GLY CA . 50452 1 399 . 1 . 1 124 124 GLY N N 15 108.599 0.3 . 1 . . . . . 384 GLY N . 50452 1 400 . 1 . 1 125 125 VAL H H 1 8.016 0.020 . 1 . . . . . 385 VAL H . 50452 1 401 . 1 . 1 125 125 VAL C C 13 174.351 0.3 . 1 . . . . . 385 VAL C . 50452 1 402 . 1 . 1 125 125 VAL CA C 13 61.629 0.3 . 1 . . . . . 385 VAL CA . 50452 1 403 . 1 . 1 125 125 VAL CB C 13 34.701 0.3 . 1 . . . . . 385 VAL CB . 50452 1 404 . 1 . 1 125 125 VAL N N 15 122.682 0.3 . 1 . . . . . 385 VAL N . 50452 1 405 . 1 . 1 126 126 VAL H H 1 9.085 0.020 . 1 . . . . . 386 VAL H . 50452 1 406 . 1 . 1 126 126 VAL C C 13 173.732 0.3 . 1 . . . . . 386 VAL C . 50452 1 407 . 1 . 1 126 126 VAL CA C 13 60.005 0.3 . 1 . . . . . 386 VAL CA . 50452 1 408 . 1 . 1 126 126 VAL CB C 13 34.787 0.3 . 1 . . . . . 386 VAL CB . 50452 1 409 . 1 . 1 126 126 VAL N N 15 129.784 0.3 . 1 . . . . . 386 VAL N . 50452 1 410 . 1 . 1 127 127 VAL H H 1 8.559 0.020 . 1 . . . . . 387 VAL H . 50452 1 411 . 1 . 1 127 127 VAL CA C 13 62.168 0.3 . 1 . . . . . 387 VAL CA . 50452 1 412 . 1 . 1 127 127 VAL CB C 13 30.770 0.3 . 1 . . . . . 387 VAL CB . 50452 1 413 . 1 . 1 127 127 VAL N N 15 128.336 0.3 . 1 . . . . . 387 VAL N . 50452 1 414 . 1 . 1 128 128 ASN H H 1 9.085 0.020 . 1 . . . . . 388 ASN H . 50452 1 415 . 1 . 1 128 128 ASN C C 13 175.220 0.3 . 1 . . . . . 388 ASN C . 50452 1 416 . 1 . 1 128 128 ASN CA C 13 54.806 0.3 . 1 . . . . . 388 ASN CA . 50452 1 417 . 1 . 1 128 128 ASN CB C 13 39.662 0.3 . 1 . . . . . 388 ASN CB . 50452 1 418 . 1 . 1 128 128 ASN N N 15 130.594 0.3 . 1 . . . . . 388 ASN N . 50452 1 419 . 1 . 1 129 129 ASN H H 1 7.338 0.020 . 1 . . . . . 389 ASN H . 50452 1 420 . 1 . 1 129 129 ASN C C 13 172.930 0.3 . 1 . . . . . 389 ASN C . 50452 1 421 . 1 . 1 129 129 ASN CA C 13 53.748 0.3 . 1 . . . . . 389 ASN CA . 50452 1 422 . 1 . 1 129 129 ASN CB C 13 41.781 0.3 . 1 . . . . . 389 ASN CB . 50452 1 423 . 1 . 1 129 129 ASN N N 15 115.367 0.3 . 1 . . . . . 389 ASN N . 50452 1 424 . 1 . 1 130 130 VAL H H 1 8.113 0.020 . 1 . . . . . 390 VAL H . 50452 1 425 . 1 . 1 130 130 VAL CA C 13 61.658 0.3 . 1 . . . . . 390 VAL CA . 50452 1 426 . 1 . 1 130 130 VAL CB C 13 34.885 0.3 . 1 . . . . . 390 VAL CB . 50452 1 427 . 1 . 1 130 130 VAL N N 15 124.521 0.3 . 1 . . . . . 390 VAL N . 50452 1 428 . 1 . 1 131 131 LYS H H 1 8.521 0.020 . 1 . . . . . 391 LYS H . 50452 1 429 . 1 . 1 131 131 LYS C C 13 176.541 0.3 . 1 . . . . . 391 LYS C . 50452 1 430 . 1 . 1 131 131 LYS CA C 13 55.773 0.3 . 1 . . . . . 391 LYS CA . 50452 1 431 . 1 . 1 131 131 LYS CB C 13 33.638 0.3 . 1 . . . . . 391 LYS CB . 50452 1 432 . 1 . 1 131 131 LYS N N 15 131.977 0.3 . 1 . . . . . 391 LYS N . 50452 1 433 . 1 . 1 132 132 THR H H 1 8.470 0.020 . 1 . . . . . 392 THR H . 50452 1 434 . 1 . 1 132 132 THR CA C 13 63.914 0.3 . 1 . . . . . 392 THR CA . 50452 1 435 . 1 . 1 132 132 THR CB C 13 68.913 0.3 . 1 . . . . . 392 THR CB . 50452 1 436 . 1 . 1 132 132 THR N N 15 123.909 0.3 . 1 . . . . . 392 THR N . 50452 1 437 . 1 . 1 133 133 GLY H H 1 8.696 0.020 . 1 . . . . . 393 GLY H . 50452 1 438 . 1 . 1 133 133 GLY CA C 13 45.877 0.3 . 1 . . . . . 393 GLY CA . 50452 1 439 . 1 . 1 133 133 GLY N N 15 113.822 0.3 . 1 . . . . . 393 GLY N . 50452 1 440 . 1 . 1 134 134 THR H H 1 6.793 0.020 . 1 . . . . . 394 THR H . 50452 1 441 . 1 . 1 134 134 THR C C 13 174.117 0.3 . 1 . . . . . 394 THR C . 50452 1 442 . 1 . 1 134 134 THR CA C 13 59.825 0.3 . 1 . . . . . 394 THR CA . 50452 1 443 . 1 . 1 134 134 THR CB C 13 69.491 0.3 . 1 . . . . . 394 THR CB . 50452 1 444 . 1 . 1 134 134 THR N N 15 110.669 0.3 . 1 . . . . . 394 THR N . 50452 1 445 . 1 . 1 136 136 ALA H H 1 8.136 0.020 . 1 . . . . . 396 ALA H . 50452 1 446 . 1 . 1 136 136 ALA C C 13 177.954 0.3 . 1 . . . . . 396 ALA C . 50452 1 447 . 1 . 1 136 136 ALA CA C 13 55.296 0.3 . 1 . . . . . 396 ALA CA . 50452 1 448 . 1 . 1 136 136 ALA CB C 13 20.205 0.3 . 1 . . . . . 396 ALA CB . 50452 1 449 . 1 . 1 136 136 ALA N N 15 118.139 0.3 . 1 . . . . . 396 ALA N . 50452 1 450 . 1 . 1 137 137 ALA H H 1 6.965 0.020 . 1 . . . . . 397 ALA H . 50452 1 451 . 1 . 1 137 137 ALA C C 13 181.857 0.3 . 1 . . . . . 397 ALA C . 50452 1 452 . 1 . 1 137 137 ALA CA C 13 54.374 0.3 . 1 . . . . . 397 ALA CA . 50452 1 453 . 1 . 1 137 137 ALA CB C 13 18.308 0.3 . 1 . . . . . 397 ALA CB . 50452 1 454 . 1 . 1 137 137 ALA N N 15 120.719 0.3 . 1 . . . . . 397 ALA N . 50452 1 455 . 1 . 1 138 138 GLN H H 1 8.248 0.020 . 1 . . . . . 398 GLN H . 50452 1 456 . 1 . 1 138 138 GLN C C 13 178.748 0.3 . 1 . . . . . 398 GLN C . 50452 1 457 . 1 . 1 138 138 GLN CA C 13 58.796 0.3 . 1 . . . . . 398 GLN CA . 50452 1 458 . 1 . 1 138 138 GLN CB C 13 28.142 0.3 . 1 . . . . . 398 GLN CB . 50452 1 459 . 1 . 1 138 138 GLN N N 15 122.962 0.3 . 1 . . . . . 398 GLN N . 50452 1 460 . 1 . 1 139 139 ILE H H 1 7.880 0.020 . 1 . . . . . 399 ILE H . 50452 1 461 . 1 . 1 139 139 ILE C C 13 176.219 0.3 . 1 . . . . . 399 ILE C . 50452 1 462 . 1 . 1 139 139 ILE CA C 13 62.669 0.3 . 1 . . . . . 399 ILE CA . 50452 1 463 . 1 . 1 139 139 ILE CB C 13 38.715 0.3 . 1 . . . . . 399 ILE CB . 50452 1 464 . 1 . 1 139 139 ILE N N 15 116.811 0.3 . 1 . . . . . 399 ILE N . 50452 1 465 . 1 . 1 140 140 GLY H H 1 7.097 0.020 . 1 . . . . . 400 GLY H . 50452 1 466 . 1 . 1 140 140 GLY C C 13 175.399 0.3 . 1 . . . . . 400 GLY C . 50452 1 467 . 1 . 1 140 140 GLY CA C 13 44.549 0.3 . 1 . . . . . 400 GLY CA . 50452 1 468 . 1 . 1 140 140 GLY N N 15 106.824 0.3 . 1 . . . . . 400 GLY N . 50452 1 469 . 1 . 1 141 141 LEU H H 1 7.005 0.020 . 1 . . . . . 401 LEU H . 50452 1 470 . 1 . 1 141 141 LEU C C 13 175.282 0.3 . 1 . . . . . 401 LEU C . 50452 1 471 . 1 . 1 141 141 LEU CA C 13 55.790 0.3 . 1 . . . . . 401 LEU CA . 50452 1 472 . 1 . 1 141 141 LEU CB C 13 43.636 0.3 . 1 . . . . . 401 LEU CB . 50452 1 473 . 1 . 1 141 141 LEU N N 15 123.163 0.3 . 1 . . . . . 401 LEU N . 50452 1 474 . 1 . 1 142 142 LYS H H 1 8.452 0.020 . 1 . . . . . 402 LYS H . 50452 1 475 . 1 . 1 142 142 LYS C C 13 175.466 0.3 . 1 . . . . . 402 LYS C . 50452 1 476 . 1 . 1 142 142 LYS CA C 13 54.439 0.3 . 1 . . . . . 402 LYS CA . 50452 1 477 . 1 . 1 142 142 LYS CB C 13 36.799 0.3 . 1 . . . . . 402 LYS CB . 50452 1 478 . 1 . 1 142 142 LYS N N 15 122.964 0.3 . 1 . . . . . 402 LYS N . 50452 1 479 . 1 . 1 143 143 LYS H H 1 8.308 0.020 . 1 . . . . . 403 LYS H . 50452 1 480 . 1 . 1 143 143 LYS C C 13 177.991 0.3 . 1 . . . . . 403 LYS C . 50452 1 481 . 1 . 1 143 143 LYS CA C 13 58.589 0.3 . 1 . . . . . 403 LYS CA . 50452 1 482 . 1 . 1 143 143 LYS CB C 13 32.381 0.3 . 1 . . . . . 403 LYS CB . 50452 1 483 . 1 . 1 143 143 LYS N N 15 123.379 0.3 . 1 . . . . . 403 LYS N . 50452 1 484 . 1 . 1 144 144 GLY H H 1 9.200 0.020 . 1 . . . . . 404 GLY H . 50452 1 485 . 1 . 1 144 144 GLY C C 13 174.513 0.3 . 1 . . . . . 404 GLY C . 50452 1 486 . 1 . 1 144 144 GLY CA C 13 44.506 0.3 . 1 . . . . . 404 GLY CA . 50452 1 487 . 1 . 1 144 144 GLY N N 15 119.614 0.3 . 1 . . . . . 404 GLY N . 50452 1 488 . 1 . 1 145 145 ASP H H 1 7.825 0.020 . 1 . . . . . 405 ASP H . 50452 1 489 . 1 . 1 145 145 ASP C C 13 175.165 0.3 . 1 . . . . . 405 ASP C . 50452 1 490 . 1 . 1 145 145 ASP CA C 13 55.737 0.3 . 1 . . . . . 405 ASP CA . 50452 1 491 . 1 . 1 145 145 ASP CB C 13 42.163 0.3 . 1 . . . . . 405 ASP CB . 50452 1 492 . 1 . 1 145 145 ASP N N 15 126.531 0.3 . 1 . . . . . 405 ASP N . 50452 1 493 . 1 . 1 146 146 VAL H H 1 7.921 0.020 . 1 . . . . . 406 VAL H . 50452 1 494 . 1 . 1 146 146 VAL C C 13 176.453 0.3 . 1 . . . . . 406 VAL C . 50452 1 495 . 1 . 1 146 146 VAL CA C 13 60.663 0.3 . 1 . . . . . 406 VAL CA . 50452 1 496 . 1 . 1 146 146 VAL CB C 13 33.925 0.3 . 1 . . . . . 406 VAL CB . 50452 1 497 . 1 . 1 146 146 VAL N N 15 121.241 0.3 . 1 . . . . . 406 VAL N . 50452 1 498 . 1 . 1 147 147 ILE H H 1 9.790 0.020 . 1 . . . . . 407 ILE H . 50452 1 499 . 1 . 1 147 147 ILE C C 13 175.834 0.3 . 1 . . . . . 407 ILE C . 50452 1 500 . 1 . 1 147 147 ILE CA C 13 62.279 0.3 . 1 . . . . . 407 ILE CA . 50452 1 501 . 1 . 1 147 147 ILE CB C 13 39.194 0.3 . 1 . . . . . 407 ILE CB . 50452 1 502 . 1 . 1 147 147 ILE N N 15 131.400 0.3 . 1 . . . . . 407 ILE N . 50452 1 503 . 1 . 1 148 148 ILE H H 1 8.255 0.020 . 1 . . . . . 408 ILE H . 50452 1 504 . 1 . 1 148 148 ILE C C 13 178.108 0.3 . 1 . . . . . 408 ILE C . 50452 1 505 . 1 . 1 148 148 ILE CA C 13 60.696 0.3 . 1 . . . . . 408 ILE CA . 50452 1 506 . 1 . 1 148 148 ILE CB C 13 39.769 0.3 . 1 . . . . . 408 ILE CB . 50452 1 507 . 1 . 1 148 148 ILE N N 15 120.208 0.3 . 1 . . . . . 408 ILE N . 50452 1 508 . 1 . 1 149 149 GLY H H 1 7.824 0.020 . 1 . . . . . 409 GLY H . 50452 1 509 . 1 . 1 149 149 GLY C C 13 171.353 0.3 . 1 . . . . . 409 GLY C . 50452 1 510 . 1 . 1 149 149 GLY CA C 13 45.860 0.3 . 1 . . . . . 409 GLY CA . 50452 1 511 . 1 . 1 149 149 GLY N N 15 114.651 0.3 . 1 . . . . . 409 GLY N . 50452 1 512 . 1 . 1 150 150 ALA H H 1 8.733 0.020 . 1 . . . . . 410 ALA H . 50452 1 513 . 1 . 1 150 150 ALA C C 13 176.085 0.3 . 1 . . . . . 410 ALA C . 50452 1 514 . 1 . 1 150 150 ALA CA C 13 51.377 0.3 . 1 . . . . . 410 ALA CA . 50452 1 515 . 1 . 1 150 150 ALA CB C 13 21.416 0.3 . 1 . . . . . 410 ALA CB . 50452 1 516 . 1 . 1 150 150 ALA N N 15 125.208 0.3 . 1 . . . . . 410 ALA N . 50452 1 517 . 1 . 1 151 151 ASN H H 1 9.351 0.020 . 1 . . . . . 411 ASN H . 50452 1 518 . 1 . 1 151 151 ASN C C 13 174.647 0.3 . 1 . . . . . 411 ASN C . 50452 1 519 . 1 . 1 151 151 ASN CA C 13 51.377 0.3 . 1 . . . . . 411 ASN CA . 50452 1 520 . 1 . 1 151 151 ASN CB C 13 36.224 0.3 . 1 . . . . . 411 ASN CB . 50452 1 521 . 1 . 1 151 151 ASN N N 15 125.478 0.3 . 1 . . . . . 411 ASN N . 50452 1 522 . 1 . 1 153 153 GLN H H 1 7.897 0.020 . 1 . . . . . 413 GLN H . 50452 1 523 . 1 . 1 153 153 GLN C C 13 175.337 0.3 . 1 . . . . . 413 GLN C . 50452 1 524 . 1 . 1 153 153 GLN CA C 13 53.917 0.3 . 1 . . . . . 413 GLN CA . 50452 1 525 . 1 . 1 153 153 GLN CB C 13 30.846 0.3 . 1 . . . . . 413 GLN CB . 50452 1 526 . 1 . 1 153 153 GLN N N 15 122.227 0.3 . 1 . . . . . 413 GLN N . 50452 1 527 . 1 . 1 154 154 ALA H H 1 8.445 0.020 . 1 . . . . . 414 ALA H . 50452 1 528 . 1 . 1 154 154 ALA C C 13 177.243 0.3 . 1 . . . . . 414 ALA C . 50452 1 529 . 1 . 1 154 154 ALA CA C 13 53.188 0.3 . 1 . . . . . 414 ALA CA . 50452 1 530 . 1 . 1 154 154 ALA CB C 13 18.885 0.3 . 1 . . . . . 414 ALA CB . 50452 1 531 . 1 . 1 154 154 ALA N N 15 129.642 0.3 . 1 . . . . . 414 ALA N . 50452 1 532 . 1 . 1 155 155 VAL H H 1 7.357 0.020 . 1 . . . . . 415 VAL H . 50452 1 533 . 1 . 1 155 155 VAL C C 13 174.966 0.3 . 1 . . . . . 415 VAL C . 50452 1 534 . 1 . 1 155 155 VAL CA C 13 61.080 0.3 . 1 . . . . . 415 VAL CA . 50452 1 535 . 1 . 1 155 155 VAL CB C 13 34.691 0.3 . 1 . . . . . 415 VAL CB . 50452 1 536 . 1 . 1 155 155 VAL N N 15 123.263 0.3 . 1 . . . . . 415 VAL N . 50452 1 537 . 1 . 1 156 156 LYS H H 1 8.781 0.020 . 1 . . . . . 416 LYS H . 50452 1 538 . 1 . 1 156 156 LYS C C 13 176.340 0.3 . 1 . . . . . 416 LYS C . 50452 1 539 . 1 . 1 156 156 LYS CA C 13 56.387 0.3 . 1 . . . . . 416 LYS CA . 50452 1 540 . 1 . 1 156 156 LYS CB C 13 34.279 0.3 . 1 . . . . . 416 LYS CB . 50452 1 541 . 1 . 1 156 156 LYS N N 15 124.759 0.3 . 1 . . . . . 416 LYS N . 50452 1 542 . 1 . 1 157 157 ASN H H 1 7.091 0.020 . 1 . . . . . 417 ASN H . 50452 1 543 . 1 . 1 157 157 ASN C C 13 175.371 0.3 . 1 . . . . . 417 ASN C . 50452 1 544 . 1 . 1 157 157 ASN CA C 13 52.365 0.3 . 1 . . . . . 417 ASN CA . 50452 1 545 . 1 . 1 157 157 ASN CB C 13 39.848 0.3 . 1 . . . . . 417 ASN CB . 50452 1 546 . 1 . 1 157 157 ASN N N 15 112.483 0.3 . 1 . . . . . 417 ASN N . 50452 1 547 . 1 . 1 158 158 ILE H H 1 9.602 0.020 . 1 . . . . . 418 ILE H . 50452 1 548 . 1 . 1 158 158 ILE C C 13 176.658 0.3 . 1 . . . . . 418 ILE C . 50452 1 549 . 1 . 1 158 158 ILE CA C 13 65.076 0.3 . 1 . . . . . 418 ILE CA . 50452 1 550 . 1 . 1 158 158 ILE CB C 13 38.017 0.3 . 1 . . . . . 418 ILE CB . 50452 1 551 . 1 . 1 158 158 ILE N N 15 121.576 0.3 . 1 . . . . . 418 ILE N . 50452 1 552 . 1 . 1 159 159 ALA H H 1 8.046 0.020 . 1 . . . . . 419 ALA H . 50452 1 553 . 1 . 1 159 159 ALA C C 13 181.389 0.3 . 1 . . . . . 419 ALA C . 50452 1 554 . 1 . 1 159 159 ALA CA C 13 55.658 0.3 . 1 . . . . . 419 ALA CA . 50452 1 555 . 1 . 1 159 159 ALA CB C 13 17.544 0.3 . 1 . . . . . 419 ALA CB . 50452 1 556 . 1 . 1 159 159 ALA N N 15 127.636 0.3 . 1 . . . . . 419 ALA N . 50452 1 557 . 1 . 1 160 160 GLU H H 1 7.998 0.020 . 1 . . . . . 420 GLU H . 50452 1 558 . 1 . 1 160 160 GLU C C 13 179.166 0.3 . 1 . . . . . 420 GLU C . 50452 1 559 . 1 . 1 160 160 GLU CA C 13 59.610 0.3 . 1 . . . . . 420 GLU CA . 50452 1 560 . 1 . 1 160 160 GLU CB C 13 30.212 0.3 . 1 . . . . . 420 GLU CB . 50452 1 561 . 1 . 1 160 160 GLU N N 15 120.666 0.3 . 1 . . . . . 420 GLU N . 50452 1 562 . 1 . 1 161 161 LEU H H 1 7.574 0.020 . 1 . . . . . 421 LEU H . 50452 1 563 . 1 . 1 161 161 LEU C C 13 178.129 0.3 . 1 . . . . . 421 LEU C . 50452 1 564 . 1 . 1 161 161 LEU CA C 13 57.472 0.3 . 1 . . . . . 421 LEU CA . 50452 1 565 . 1 . 1 161 161 LEU CB C 13 41.165 0.3 . 1 . . . . . 421 LEU CB . 50452 1 566 . 1 . 1 161 161 LEU N N 15 123.386 0.3 . 1 . . . . . 421 LEU N . 50452 1 567 . 1 . 1 162 162 ARG H H 1 8.569 0.020 . 1 . . . . . 422 ARG H . 50452 1 568 . 1 . 1 162 162 ARG C C 13 177.561 0.3 . 1 . . . . . 422 ARG C . 50452 1 569 . 1 . 1 162 162 ARG CA C 13 59.823 0.3 . 1 . . . . . 422 ARG CA . 50452 1 570 . 1 . 1 162 162 ARG CB C 13 29.856 0.3 . 1 . . . . . 422 ARG CB . 50452 1 571 . 1 . 1 162 162 ARG N N 15 121.179 0.3 . 1 . . . . . 422 ARG N . 50452 1 572 . 1 . 1 163 163 LYS H H 1 7.144 0.020 . 1 . . . . . 423 LYS H . 50452 1 573 . 1 . 1 163 163 LYS C C 13 179.684 0.3 . 1 . . . . . 423 LYS C . 50452 1 574 . 1 . 1 163 163 LYS CA C 13 59.831 0.3 . 1 . . . . . 423 LYS CA . 50452 1 575 . 1 . 1 163 163 LYS CB C 13 32.050 0.3 . 1 . . . . . 423 LYS CB . 50452 1 576 . 1 . 1 163 163 LYS N N 15 119.755 0.3 . 1 . . . . . 423 LYS N . 50452 1 577 . 1 . 1 164 164 VAL H H 1 7.172 0.020 . 1 . . . . . 424 VAL H . 50452 1 578 . 1 . 1 164 164 VAL C C 13 179.383 0.3 . 1 . . . . . 424 VAL C . 50452 1 579 . 1 . 1 164 164 VAL CA C 13 66.187 0.3 . 1 . . . . . 424 VAL CA . 50452 1 580 . 1 . 1 164 164 VAL CB C 13 31.754 0.3 . 1 . . . . . 424 VAL CB . 50452 1 581 . 1 . 1 164 164 VAL N N 15 120.757 0.3 . 1 . . . . . 424 VAL N . 50452 1 582 . 1 . 1 165 165 LEU H H 1 8.050 0.020 . 1 . . . . . 425 LEU H . 50452 1 583 . 1 . 1 165 165 LEU C C 13 180.470 0.3 . 1 . . . . . 425 LEU C . 50452 1 584 . 1 . 1 165 165 LEU CA C 13 58.325 0.3 . 1 . . . . . 425 LEU CA . 50452 1 585 . 1 . 1 165 165 LEU CB C 13 40.605 0.3 . 1 . . . . . 425 LEU CB . 50452 1 586 . 1 . 1 165 165 LEU N N 15 123.272 0.3 . 1 . . . . . 425 LEU N . 50452 1 587 . 1 . 1 166 166 ASP H H 1 8.676 0.020 . 1 . . . . . 426 ASP H . 50452 1 588 . 1 . 1 166 166 ASP CA C 13 56.603 0.3 . 1 . . . . . 426 ASP CA . 50452 1 589 . 1 . 1 166 166 ASP CB C 13 40.075 0.3 . 1 . . . . . 426 ASP CB . 50452 1 590 . 1 . 1 166 166 ASP N N 15 122.649 0.3 . 1 . . . . . 426 ASP N . 50452 1 591 . 1 . 1 167 167 SER H H 1 7.270 0.020 . 1 . . . . . 427 SER H . 50452 1 592 . 1 . 1 167 167 SER C C 13 173.582 0.3 . 1 . . . . . 427 SER C . 50452 1 593 . 1 . 1 167 167 SER CA C 13 59.511 0.3 . 1 . . . . . 427 SER CA . 50452 1 594 . 1 . 1 167 167 SER CB C 13 63.574 0.3 . 1 . . . . . 427 SER CB . 50452 1 595 . 1 . 1 167 167 SER N N 15 116.918 0.3 . 1 . . . . . 427 SER N . 50452 1 596 . 1 . 1 168 168 LYS H H 1 7.717 0.020 . 1 . . . . . 428 LYS H . 50452 1 597 . 1 . 1 168 168 LYS C C 13 172.963 0.3 . 1 . . . . . 428 LYS C . 50452 1 598 . 1 . 1 168 168 LYS CA C 13 55.948 0.3 . 1 . . . . . 428 LYS CA . 50452 1 599 . 1 . 1 168 168 LYS CB C 13 30.509 0.3 . 1 . . . . . 428 LYS CB . 50452 1 600 . 1 . 1 168 168 LYS N N 15 120.499 0.3 . 1 . . . . . 428 LYS N . 50452 1 601 . 1 . 1 171 171 VAL H H 1 7.182 0.020 . 1 . . . . . 431 VAL H . 50452 1 602 . 1 . 1 171 171 VAL C C 13 173.816 0.3 . 1 . . . . . 431 VAL C . 50452 1 603 . 1 . 1 171 171 VAL CA C 13 61.190 0.3 . 1 . . . . . 431 VAL CA . 50452 1 604 . 1 . 1 171 171 VAL CB C 13 34.582 0.3 . 1 . . . . . 431 VAL CB . 50452 1 605 . 1 . 1 171 171 VAL N N 15 120.540 0.3 . 1 . . . . . 431 VAL N . 50452 1 606 . 1 . 1 172 172 LEU H H 1 8.406 0.020 . 1 . . . . . 432 LEU H . 50452 1 607 . 1 . 1 172 172 LEU C C 13 173.247 0.3 . 1 . . . . . 432 LEU C . 50452 1 608 . 1 . 1 172 172 LEU CA C 13 53.913 0.3 . 1 . . . . . 432 LEU CA . 50452 1 609 . 1 . 1 172 172 LEU CB C 13 43.984 0.3 . 1 . . . . . 432 LEU CB . 50452 1 610 . 1 . 1 172 172 LEU N N 15 129.847 0.3 . 1 . . . . . 432 LEU N . 50452 1 611 . 1 . 1 173 173 ALA H H 1 8.860 0.020 . 1 . . . . . 433 ALA H . 50452 1 612 . 1 . 1 173 173 ALA N N 15 132.588 0.3 . 1 . . . . . 433 ALA N . 50452 1 613 . 1 . 1 174 174 LEU H H 1 8.976 0.020 . 1 . . . . . 434 LEU H . 50452 1 614 . 1 . 1 174 174 LEU C C 13 174.652 0.3 . 1 . . . . . 434 LEU C . 50452 1 615 . 1 . 1 174 174 LEU CA C 13 53.558 0.3 . 1 . . . . . 434 LEU CA . 50452 1 616 . 1 . 1 174 174 LEU CB C 13 44.558 0.3 . 1 . . . . . 434 LEU CB . 50452 1 617 . 1 . 1 174 174 LEU N N 15 126.124 0.3 . 1 . . . . . 434 LEU N . 50452 1 618 . 1 . 1 177 177 GLN H H 1 9.485 0.020 . 1 . . . . . 437 GLN H . 50452 1 619 . 1 . 1 177 177 GLN C C 13 174.904 0.3 . 1 . . . . . 437 GLN C . 50452 1 620 . 1 . 1 177 177 GLN CA C 13 54.380 0.3 . 1 . . . . . 437 GLN CA . 50452 1 621 . 1 . 1 177 177 GLN CB C 13 29.621 0.3 . 1 . . . . . 437 GLN CB . 50452 1 622 . 1 . 1 177 177 GLN N N 15 127.777 0.3 . 1 . . . . . 437 GLN N . 50452 1 623 . 1 . 1 178 178 ARG H H 1 8.507 0.020 . 1 . . . . . 438 ARG H . 50452 1 624 . 1 . 1 178 178 ARG C C 13 175.906 0.3 . 1 . . . . . 438 ARG C . 50452 1 625 . 1 . 1 178 178 ARG CA C 13 54.497 0.3 . 1 . . . . . 438 ARG CA . 50452 1 626 . 1 . 1 178 178 ARG CB C 13 32.008 0.3 . 1 . . . . . 438 ARG CB . 50452 1 627 . 1 . 1 178 178 ARG N N 15 134.157 0.3 . 1 . . . . . 438 ARG N . 50452 1 628 . 1 . 1 181 181 SER H H 1 7.716 0.020 . 1 . . . . . 441 SER H . 50452 1 629 . 1 . 1 181 181 SER C C 13 172.829 0.3 . 1 . . . . . 441 SER C . 50452 1 630 . 1 . 1 181 181 SER CA C 13 57.678 0.3 . 1 . . . . . 441 SER CA . 50452 1 631 . 1 . 1 181 181 SER CB C 13 65.592 0.3 . 1 . . . . . 441 SER CB . 50452 1 632 . 1 . 1 181 181 SER N N 15 118.146 0.3 . 1 . . . . . 441 SER N . 50452 1 633 . 1 . 1 182 182 THR H H 1 8.200 0.020 . 1 . . . . . 442 THR H . 50452 1 634 . 1 . 1 182 182 THR C C 13 174.267 0.3 . 1 . . . . . 442 THR C . 50452 1 635 . 1 . 1 182 182 THR CA C 13 61.026 0.3 . 1 . . . . . 442 THR CA . 50452 1 636 . 1 . 1 182 182 THR CB C 13 70.118 0.3 . 1 . . . . . 442 THR CB . 50452 1 637 . 1 . 1 182 182 THR N N 15 120.067 0.3 . 1 . . . . . 442 THR N . 50452 1 638 . 1 . 1 188 188 GLN H H 1 7.751 0.020 . 1 . . . . . 448 GLN H . 50452 1 639 . 1 . 1 188 188 GLN C C 13 179.634 0.3 . 1 . . . . . 448 GLN C . 50452 1 640 . 1 . 1 188 188 GLN CA C 13 56.746 0.3 . 1 . . . . . 448 GLN CA . 50452 1 641 . 1 . 1 188 188 GLN CB C 13 30.988 0.3 . 1 . . . . . 448 GLN CB . 50452 1 642 . 1 . 1 188 188 GLN N N 15 130.979 0.3 . 1 . . . . . 448 GLN N . 50452 1 stop_ save_