################################### # 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 50450 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PDZ1_assign _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 TROSY' . . . 50450 1 2 '3D HNCA' . . . 50450 1 3 '3D HNCO' . . . 50450 1 4 '3D HNCACB' . . . 50450 1 5 '3D CBCA(CO)NH' . . . 50450 1 6 '3D HN(CA)CO' . . . 50450 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 . 50450 1 'TROSY offset' 'all 1H' 1 45 . 50450 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 . . 50450 1 2 $software_2 . . 50450 1 3 $software_3 . . 50450 1 4 $software_4 . . 50450 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 4 4 GLU H H 1 8.417 0.020 . 1 . . . . . 264 GLU H . 50450 1 2 . 1 . 1 4 4 GLU C C 13 176.293 0.3 . 1 . . . . . 264 GLU C . 50450 1 3 . 1 . 1 4 4 GLU CA C 13 55.244 0.3 . 1 . . . . . 264 GLU CA . 50450 1 4 . 1 . 1 4 4 GLU CB C 13 31.749 0.3 . 1 . . . . . 264 GLU CB . 50450 1 5 . 1 . 1 4 4 GLU N N 15 122.791 0.3 . 1 . . . . . 264 GLU N . 50450 1 6 . 1 . 1 6 6 GLY H H 1 8.898 0.020 . 1 . . . . . 266 GLY H . 50450 1 7 . 1 . 1 6 6 GLY C C 13 173.612 0.3 . 1 . . . . . 266 GLY C . 50450 1 8 . 1 . 1 6 6 GLY CA C 13 46.085 0.3 . 1 . . . . . 266 GLY CA . 50450 1 9 . 1 . 1 6 6 GLY N N 15 105.418 0.3 . 1 . . . . . 266 GLY N . 50450 1 10 . 1 . 1 7 7 ILE H H 1 7.412 0.020 . 1 . . . . . 267 ILE H . 50450 1 11 . 1 . 1 7 7 ILE C C 13 175.358 0.3 . 1 . . . . . 267 ILE C . 50450 1 12 . 1 . 1 7 7 ILE CA C 13 59.929 0.3 . 1 . . . . . 267 ILE CA . 50450 1 13 . 1 . 1 7 7 ILE CB C 13 41.372 0.3 . 1 . . . . . 267 ILE CB . 50450 1 14 . 1 . 1 7 7 ILE N N 15 114.599 0.3 . 1 . . . . . 267 ILE N . 50450 1 15 . 1 . 1 8 8 MET H H 1 8.733 0.020 . 1 . . . . . 268 MET H . 50450 1 16 . 1 . 1 8 8 MET C C 13 175.107 0.3 . 1 . . . . . 268 MET C . 50450 1 17 . 1 . 1 8 8 MET CA C 13 54.285 0.3 . 1 . . . . . 268 MET CA . 50450 1 18 . 1 . 1 8 8 MET CB C 13 33.618 0.3 . 1 . . . . . 268 MET CB . 50450 1 19 . 1 . 1 8 8 MET N N 15 126.420 0.3 . 1 . . . . . 268 MET N . 50450 1 20 . 1 . 1 9 9 GLY H H 1 7.651 0.020 . 1 . . . . . 269 GLY H . 50450 1 21 . 1 . 1 9 9 GLY C C 13 172.114 0.3 . 1 . . . . . 269 GLY C . 50450 1 22 . 1 . 1 9 9 GLY CA C 13 44.941 0.3 . 1 . . . . . 269 GLY CA . 50450 1 23 . 1 . 1 9 9 GLY N N 15 112.895 0.3 . 1 . . . . . 269 GLY N . 50450 1 24 . 1 . 1 10 10 THR H H 1 8.791 0.020 . 1 . . . . . 270 THR H . 50450 1 25 . 1 . 1 10 10 THR C C 13 173.318 0.3 . 1 . . . . . 270 THR C . 50450 1 26 . 1 . 1 10 10 THR CA C 13 60.044 0.3 . 1 . . . . . 270 THR CA . 50450 1 27 . 1 . 1 10 10 THR CB C 13 71.248 0.3 . 1 . . . . . 270 THR CB . 50450 1 28 . 1 . 1 10 10 THR N N 15 114.601 0.3 . 1 . . . . . 270 THR N . 50450 1 29 . 1 . 1 12 12 LEU H H 1 9.007 0.020 . 1 . . . . . 272 LEU H . 50450 1 30 . 1 . 1 12 12 LEU C C 13 175.541 0.3 . 1 . . . . . 272 LEU C . 50450 1 31 . 1 . 1 12 12 LEU CA C 13 55.772 0.3 . 1 . . . . . 272 LEU CA . 50450 1 32 . 1 . 1 12 12 LEU CB C 13 42.389 0.3 . 1 . . . . . 272 LEU CB . 50450 1 33 . 1 . 1 12 12 LEU N N 15 125.631 0.3 . 1 . . . . . 272 LEU N . 50450 1 34 . 1 . 1 13 13 ASN H H 1 7.520 0.020 . 1 . . . . . 273 ASN H . 50450 1 35 . 1 . 1 13 13 ASN C C 13 175.424 0.3 . 1 . . . . . 273 ASN C . 50450 1 36 . 1 . 1 13 13 ASN CA C 13 52.187 0.3 . 1 . . . . . 273 ASN CA . 50450 1 37 . 1 . 1 13 13 ASN CB C 13 39.261 0.3 . 1 . . . . . 273 ASN CB . 50450 1 38 . 1 . 1 13 13 ASN N N 15 120.303 0.3 . 1 . . . . . 273 ASN N . 50450 1 39 . 1 . 1 16 16 LEU H H 1 8.336 0.020 . 1 . . . . . 276 LEU H . 50450 1 40 . 1 . 1 16 16 LEU C C 13 178.333 0.3 . 1 . . . . . 276 LEU C . 50450 1 41 . 1 . 1 16 16 LEU CA C 13 57.412 0.3 . 1 . . . . . 276 LEU CA . 50450 1 42 . 1 . 1 16 16 LEU CB C 13 42.655 0.3 . 1 . . . . . 276 LEU CB . 50450 1 43 . 1 . 1 16 16 LEU N N 15 124.278 0.3 . 1 . . . . . 276 LEU N . 50450 1 44 . 1 . 1 17 17 ALA H H 1 8.235 0.020 . 1 . . . . . 277 ALA H . 50450 1 45 . 1 . 1 17 17 ALA C C 13 179.787 0.3 . 1 . . . . . 277 ALA C . 50450 1 46 . 1 . 1 17 17 ALA CA C 13 55.315 0.3 . 1 . . . . . 277 ALA CA . 50450 1 47 . 1 . 1 17 17 ALA CB C 13 18.043 0.3 . 1 . . . . . 277 ALA CB . 50450 1 48 . 1 . 1 17 17 ALA N N 15 122.983 0.3 . 1 . . . . . 277 ALA N . 50450 1 49 . 1 . 1 18 18 LYS H H 1 7.913 0.020 . 1 . . . . . 278 LYS H . 50450 1 50 . 1 . 1 18 18 LYS C C 13 179.811 0.3 . 1 . . . . . 278 LYS C . 50450 1 51 . 1 . 1 18 18 LYS CA C 13 59.052 0.3 . 1 . . . . . 278 LYS CA . 50450 1 52 . 1 . 1 18 18 LYS CB C 13 32.402 0.3 . 1 . . . . . 278 LYS CB . 50450 1 53 . 1 . 1 18 18 LYS N N 15 119.206 0.3 . 1 . . . . . 278 LYS N . 50450 1 54 . 1 . 1 19 19 ALA H H 1 8.036 0.020 . 1 . . . . . 279 ALA H . 50450 1 55 . 1 . 1 19 19 ALA C C 13 179.252 0.3 . 1 . . . . . 279 ALA C . 50450 1 56 . 1 . 1 19 19 ALA CA C 13 54.781 0.3 . 1 . . . . . 279 ALA CA . 50450 1 57 . 1 . 1 19 19 ALA CB C 13 18.370 0.3 . 1 . . . . . 279 ALA CB . 50450 1 58 . 1 . 1 19 19 ALA N N 15 124.864 0.3 . 1 . . . . . 279 ALA N . 50450 1 59 . 1 . 1 20 20 MET H H 1 8.088 0.020 . 1 . . . . . 280 MET H . 50450 1 60 . 1 . 1 20 20 MET C C 13 175.139 0.3 . 1 . . . . . 280 MET C . 50450 1 61 . 1 . 1 20 20 MET CA C 13 55.238 0.3 . 1 . . . . . 280 MET CA . 50450 1 62 . 1 . 1 20 20 MET CB C 13 33.051 0.3 . 1 . . . . . 280 MET CB . 50450 1 63 . 1 . 1 20 20 MET N N 15 116.991 0.3 . 1 . . . . . 280 MET N . 50450 1 64 . 1 . 1 21 21 LYS H H 1 8.085 0.020 . 1 . . . . . 281 LYS H . 50450 1 65 . 1 . 1 21 21 LYS C C 13 175.875 0.3 . 1 . . . . . 281 LYS C . 50450 1 66 . 1 . 1 21 21 LYS CA C 13 57.298 0.3 . 1 . . . . . 281 LYS CA . 50450 1 67 . 1 . 1 21 21 LYS CB C 13 29.284 0.3 . 1 . . . . . 281 LYS CB . 50450 1 68 . 1 . 1 21 21 LYS N N 15 119.386 0.3 . 1 . . . . . 281 LYS N . 50450 1 69 . 1 . 1 22 22 VAL H H 1 8.146 0.020 . 1 . . . . . 282 VAL H . 50450 1 70 . 1 . 1 22 22 VAL C C 13 175.641 0.3 . 1 . . . . . 282 VAL C . 50450 1 71 . 1 . 1 22 22 VAL CA C 13 61.150 0.3 . 1 . . . . . 282 VAL CA . 50450 1 72 . 1 . 1 22 22 VAL CB C 13 33.535 0.3 . 1 . . . . . 282 VAL CB . 50450 1 73 . 1 . 1 22 22 VAL N N 15 118.619 0.3 . 1 . . . . . 282 VAL N . 50450 1 74 . 1 . 1 23 23 ASP H H 1 8.667 0.020 . 1 . . . . . 283 ASP H . 50450 1 75 . 1 . 1 23 23 ASP C C 13 175.574 0.3 . 1 . . . . . 283 ASP C . 50450 1 76 . 1 . 1 23 23 ASP CA C 13 54.361 0.3 . 1 . . . . . 283 ASP CA . 50450 1 77 . 1 . 1 23 23 ASP CB C 13 40.838 0.3 . 1 . . . . . 283 ASP CB . 50450 1 78 . 1 . 1 23 23 ASP N N 15 126.786 0.3 . 1 . . . . . 283 ASP N . 50450 1 79 . 1 . 1 24 24 ALA H H 1 7.763 0.020 . 1 . . . . . 284 ALA H . 50450 1 80 . 1 . 1 24 24 ALA C C 13 176.310 0.3 . 1 . . . . . 284 ALA C . 50450 1 81 . 1 . 1 24 24 ALA CA C 13 52.492 0.3 . 1 . . . . . 284 ALA CA . 50450 1 82 . 1 . 1 24 24 ALA CB C 13 19.970 0.3 . 1 . . . . . 284 ALA CB . 50450 1 83 . 1 . 1 24 24 ALA N N 15 124.789 0.3 . 1 . . . . . 284 ALA N . 50450 1 84 . 1 . 1 26 26 ARG H H 1 7.796 0.020 . 1 . . . . . 286 ARG H . 50450 1 85 . 1 . 1 26 26 ARG C C 13 174.304 0.3 . 1 . . . . . 286 ARG C . 50450 1 86 . 1 . 1 26 26 ARG CA C 13 55.048 0.3 . 1 . . . . . 286 ARG CA . 50450 1 87 . 1 . 1 26 26 ARG CB C 13 32.422 0.3 . 1 . . . . . 286 ARG CB . 50450 1 88 . 1 . 1 26 26 ARG N N 15 119.135 0.3 . 1 . . . . . 286 ARG N . 50450 1 89 . 1 . 1 27 27 GLY H H 1 7.940 0.020 . 1 . . . . . 287 GLY H . 50450 1 90 . 1 . 1 27 27 GLY C C 13 171.144 0.3 . 1 . . . . . 287 GLY C . 50450 1 91 . 1 . 1 27 27 GLY CA C 13 44.445 0.3 . 1 . . . . . 287 GLY CA . 50450 1 92 . 1 . 1 27 27 GLY N N 15 109.217 0.3 . 1 . . . . . 287 GLY N . 50450 1 93 . 1 . 1 28 28 ALA H H 1 8.801 0.020 . 1 . . . . . 288 ALA H . 50450 1 94 . 1 . 1 28 28 ALA C C 13 174.905 0.3 . 1 . . . . . 288 ALA C . 50450 1 95 . 1 . 1 28 28 ALA CA C 13 50.585 0.3 . 1 . . . . . 288 ALA CA . 50450 1 96 . 1 . 1 28 28 ALA CB C 13 21.100 0.3 . 1 . . . . . 288 ALA CB . 50450 1 97 . 1 . 1 28 28 ALA N N 15 123.617 0.3 . 1 . . . . . 288 ALA N . 50450 1 98 . 1 . 1 29 29 PHE H H 1 8.950 0.020 . 1 . . . . . 289 PHE H . 50450 1 99 . 1 . 1 29 29 PHE C C 13 173.785 0.3 . 1 . . . . . 289 PHE C . 50450 1 100 . 1 . 1 29 29 PHE CA C 13 58.175 0.3 . 1 . . . . . 289 PHE CA . 50450 1 101 . 1 . 1 29 29 PHE CB C 13 40.245 0.3 . 1 . . . . . 289 PHE CB . 50450 1 102 . 1 . 1 29 29 PHE N N 15 128.041 0.3 . 1 . . . . . 289 PHE N . 50450 1 103 . 1 . 1 30 30 VAL H H 1 8.387 0.020 . 1 . . . . . 290 VAL H . 50450 1 104 . 1 . 1 30 30 VAL C C 13 173.869 0.3 . 1 . . . . . 290 VAL C . 50450 1 105 . 1 . 1 30 30 VAL CA C 13 62.866 0.3 . 1 . . . . . 290 VAL CA . 50450 1 106 . 1 . 1 30 30 VAL CB C 13 30.869 0.3 . 1 . . . . . 290 VAL CB . 50450 1 107 . 1 . 1 30 30 VAL N N 15 130.309 0.3 . 1 . . . . . 290 VAL N . 50450 1 108 . 1 . 1 31 31 SER H H 1 9.013 0.020 . 1 . . . . . 291 SER H . 50450 1 109 . 1 . 1 31 31 SER C C 13 174.922 0.3 . 1 . . . . . 291 SER C . 50450 1 110 . 1 . 1 31 31 SER CA C 13 59.586 0.3 . 1 . . . . . 291 SER CA . 50450 1 111 . 1 . 1 31 31 SER CB C 13 64.223 0.3 . 1 . . . . . 291 SER CB . 50450 1 112 . 1 . 1 31 31 SER N N 15 126.525 0.3 . 1 . . . . . 291 SER N . 50450 1 113 . 1 . 1 32 32 GLN H H 1 7.843 0.020 . 1 . . . . . 292 GLN H . 50450 1 114 . 1 . 1 32 32 GLN CA C 13 55.734 0.3 . 1 . . . . . 292 GLN CA . 50450 1 115 . 1 . 1 32 32 GLN CB C 13 33.014 0.3 . 1 . . . . . 292 GLN CB . 50450 1 116 . 1 . 1 32 32 GLN N N 15 120.674 0.3 . 1 . . . . . 292 GLN N . 50450 1 117 . 1 . 1 33 33 VAL H H 1 8.804 0.020 . 1 . . . . . 293 VAL H . 50450 1 118 . 1 . 1 33 33 VAL C C 13 175.975 0.3 . 1 . . . . . 293 VAL C . 50450 1 119 . 1 . 1 33 33 VAL CA C 13 60.893 0.3 . 1 . . . . . 293 VAL CA . 50450 1 120 . 1 . 1 33 33 VAL CB C 13 33.913 0.3 . 1 . . . . . 293 VAL CB . 50450 1 121 . 1 . 1 33 33 VAL N N 15 125.499 0.3 . 1 . . . . . 293 VAL N . 50450 1 122 . 1 . 1 34 34 LEU H H 1 9.110 0.020 . 1 . . . . . 294 LEU H . 50450 1 123 . 1 . 1 34 34 LEU C C 13 175.634 0.3 . 1 . . . . . 294 LEU C . 50450 1 124 . 1 . 1 34 34 LEU CA C 13 53.446 0.3 . 1 . . . . . 294 LEU CA . 50450 1 125 . 1 . 1 34 34 LEU CB C 13 40.490 0.3 . 1 . . . . . 294 LEU CB . 50450 1 126 . 1 . 1 34 34 LEU N N 15 132.063 0.3 . 1 . . . . . 294 LEU N . 50450 1 127 . 1 . 1 39 39 ALA H H 1 8.462 0.020 . 1 . . . . . 299 ALA H . 50450 1 128 . 1 . 1 39 39 ALA C C 13 178.249 0.3 . 1 . . . . . 299 ALA C . 50450 1 129 . 1 . 1 39 39 ALA CA C 13 55.543 0.3 . 1 . . . . . 299 ALA CA . 50450 1 130 . 1 . 1 39 39 ALA CB C 13 19.621 0.3 . 1 . . . . . 299 ALA CB . 50450 1 131 . 1 . 1 39 39 ALA N N 15 123.885 0.3 . 1 . . . . . 299 ALA N . 50450 1 132 . 1 . 1 40 40 ALA H H 1 8.057 0.020 . 1 . . . . . 300 ALA H . 50450 1 133 . 1 . 1 40 40 ALA C C 13 182.329 0.3 . 1 . . . . . 300 ALA C . 50450 1 134 . 1 . 1 40 40 ALA CA C 13 55.353 0.3 . 1 . . . . . 300 ALA CA . 50450 1 135 . 1 . 1 40 40 ALA CB C 13 18.054 0.3 . 1 . . . . . 300 ALA CB . 50450 1 136 . 1 . 1 40 40 ALA N N 15 124.217 0.3 . 1 . . . . . 300 ALA N . 50450 1 137 . 1 . 1 41 41 LYS H H 1 8.471 0.020 . 1 . . . . . 301 LYS H . 50450 1 138 . 1 . 1 41 41 LYS C C 13 177.932 0.3 . 1 . . . . . 301 LYS C . 50450 1 139 . 1 . 1 41 41 LYS CA C 13 59.357 0.3 . 1 . . . . . 301 LYS CA . 50450 1 140 . 1 . 1 41 41 LYS CB C 13 32.416 0.3 . 1 . . . . . 301 LYS CB . 50450 1 141 . 1 . 1 41 41 LYS N N 15 121.966 0.3 . 1 . . . . . 301 LYS N . 50450 1 142 . 1 . 1 42 42 ALA H H 1 7.820 0.020 . 1 . . . . . 302 ALA H . 50450 1 143 . 1 . 1 42 42 ALA C C 13 177.430 0.3 . 1 . . . . . 302 ALA C . 50450 1 144 . 1 . 1 42 42 ALA CA C 13 52.645 0.3 . 1 . . . . . 302 ALA CA . 50450 1 145 . 1 . 1 42 42 ALA CB C 13 20.259 0.3 . 1 . . . . . 302 ALA CB . 50450 1 146 . 1 . 1 42 42 ALA N N 15 121.483 0.3 . 1 . . . . . 302 ALA N . 50450 1 147 . 1 . 1 43 43 GLY H H 1 7.830 0.020 . 1 . . . . . 303 GLY H . 50450 1 148 . 1 . 1 43 43 GLY C C 13 175.156 0.3 . 1 . . . . . 303 GLY C . 50450 1 149 . 1 . 1 43 43 GLY CA C 13 45.589 0.3 . 1 . . . . . 303 GLY CA . 50450 1 150 . 1 . 1 43 43 GLY N N 15 105.981 0.3 . 1 . . . . . 303 GLY N . 50450 1 151 . 1 . 1 44 44 ILE H H 1 7.816 0.020 . 1 . . . . . 304 ILE H . 50450 1 152 . 1 . 1 44 44 ILE C C 13 173.468 0.3 . 1 . . . . . 304 ILE C . 50450 1 153 . 1 . 1 44 44 ILE CA C 13 62.370 0.3 . 1 . . . . . 304 ILE CA . 50450 1 154 . 1 . 1 44 44 ILE CB C 13 36.854 0.3 . 1 . . . . . 304 ILE CB . 50450 1 155 . 1 . 1 44 44 ILE N N 15 124.054 0.3 . 1 . . . . . 304 ILE N . 50450 1 156 . 1 . 1 45 45 LYS H H 1 9.151 0.020 . 1 . . . . . 305 LYS H . 50450 1 157 . 1 . 1 45 45 LYS C C 13 175.089 0.3 . 1 . . . . . 305 LYS C . 50450 1 158 . 1 . 1 45 45 LYS CA C 13 54.552 0.3 . 1 . . . . . 305 LYS CA . 50450 1 159 . 1 . 1 45 45 LYS CB C 13 36.768 0.3 . 1 . . . . . 305 LYS CB . 50450 1 160 . 1 . 1 45 45 LYS N N 15 129.277 0.3 . 1 . . . . . 305 LYS N . 50450 1 161 . 1 . 1 46 46 ALA H H 1 8.435 0.020 . 1 . . . . . 306 ALA H . 50450 1 162 . 1 . 1 46 46 ALA C C 13 178.968 0.3 . 1 . . . . . 306 ALA C . 50450 1 163 . 1 . 1 46 46 ALA CA C 13 53.217 0.3 . 1 . . . . . 306 ALA CA . 50450 1 164 . 1 . 1 46 46 ALA CB C 13 18.022 0.3 . 1 . . . . . 306 ALA CB . 50450 1 165 . 1 . 1 46 46 ALA N N 15 124.281 0.3 . 1 . . . . . 306 ALA N . 50450 1 166 . 1 . 1 47 47 GLY H H 1 9.236 0.020 . 1 . . . . . 307 GLY H . 50450 1 167 . 1 . 1 47 47 GLY C C 13 173.833 0.3 . 1 . . . . . 307 GLY C . 50450 1 168 . 1 . 1 47 47 GLY CA C 13 44.903 0.3 . 1 . . . . . 307 GLY CA . 50450 1 169 . 1 . 1 47 47 GLY N N 15 115.912 0.3 . 1 . . . . . 307 GLY N . 50450 1 170 . 1 . 1 48 48 ASP H H 1 7.872 0.020 . 1 . . . . . 308 ASP H . 50450 1 171 . 1 . 1 48 48 ASP C C 13 174.755 0.3 . 1 . . . . . 308 ASP C . 50450 1 172 . 1 . 1 48 48 ASP CA C 13 55.582 0.3 . 1 . . . . . 308 ASP CA . 50450 1 173 . 1 . 1 48 48 ASP CB C 13 42.087 0.3 . 1 . . . . . 308 ASP CB . 50450 1 174 . 1 . 1 48 48 ASP N N 15 123.784 0.3 . 1 . . . . . 308 ASP N . 50450 1 175 . 1 . 1 49 49 VAL H H 1 8.087 0.020 . 1 . . . . . 309 VAL H . 50450 1 176 . 1 . 1 49 49 VAL C C 13 176.310 0.3 . 1 . . . . . 309 VAL C . 50450 1 177 . 1 . 1 49 49 VAL CA C 13 60.654 0.3 . 1 . . . . . 309 VAL CA . 50450 1 178 . 1 . 1 49 49 VAL CB C 13 34.277 0.3 . 1 . . . . . 309 VAL CB . 50450 1 179 . 1 . 1 49 49 VAL N N 15 120.031 0.3 . 1 . . . . . 309 VAL N . 50450 1 180 . 1 . 1 50 50 ILE H H 1 9.568 0.020 . 1 . . . . . 310 ILE H . 50450 1 181 . 1 . 1 50 50 ILE C C 13 176.229 0.3 . 1 . . . . . 310 ILE C . 50450 1 182 . 1 . 1 50 50 ILE CA C 13 61.569 0.3 . 1 . . . . . 310 ILE CA . 50450 1 183 . 1 . 1 50 50 ILE CB C 13 38.990 0.3 . 1 . . . . . 310 ILE CB . 50450 1 184 . 1 . 1 50 50 ILE N N 15 129.797 0.3 . 1 . . . . . 310 ILE N . 50450 1 185 . 1 . 1 51 51 THR H H 1 9.452 0.020 . 1 . . . . . 311 THR H . 50450 1 186 . 1 . 1 51 51 THR C C 13 176.661 0.3 . 1 . . . . . 311 THR C . 50450 1 187 . 1 . 1 51 51 THR CA C 13 61.760 0.3 . 1 . . . . . 311 THR CA . 50450 1 188 . 1 . 1 51 51 THR CB C 13 70.334 0.3 . 1 . . . . . 311 THR CB . 50450 1 189 . 1 . 1 51 51 THR N N 15 118.831 0.3 . 1 . . . . . 311 THR N . 50450 1 190 . 1 . 1 52 52 SER H H 1 8.371 0.020 . 1 . . . . . 312 SER H . 50450 1 191 . 1 . 1 52 52 SER C C 13 172.047 0.3 . 1 . . . . . 312 SER C . 50450 1 192 . 1 . 1 52 52 SER CA C 13 58.366 0.3 . 1 . . . . . 312 SER CA . 50450 1 193 . 1 . 1 52 52 SER CB C 13 65.806 0.3 . 1 . . . . . 312 SER CB . 50450 1 194 . 1 . 1 52 52 SER N N 15 119.852 0.3 . 1 . . . . . 312 SER N . 50450 1 195 . 1 . 1 53 53 LEU H H 1 9.082 0.020 . 1 . . . . . 313 LEU H . 50450 1 196 . 1 . 1 53 53 LEU C C 13 175.741 0.3 . 1 . . . . . 313 LEU C . 50450 1 197 . 1 . 1 53 53 LEU CA C 13 54.437 0.3 . 1 . . . . . 313 LEU CA . 50450 1 198 . 1 . 1 53 53 LEU CB C 13 45.160 0.3 . 1 . . . . . 313 LEU CB . 50450 1 199 . 1 . 1 53 53 LEU N N 15 124.935 0.3 . 1 . . . . . 313 LEU N . 50450 1 200 . 1 . 1 54 54 ASN H H 1 10.154 0.020 . 1 . . . . . 314 ASN H . 50450 1 201 . 1 . 1 54 54 ASN C C 13 175.284 0.3 . 1 . . . . . 314 ASN C . 50450 1 202 . 1 . 1 54 54 ASN CA C 13 54.247 0.3 . 1 . . . . . 314 ASN CA . 50450 1 203 . 1 . 1 54 54 ASN CB C 13 36.465 0.3 . 1 . . . . . 314 ASN CB . 50450 1 204 . 1 . 1 54 54 ASN N N 15 130.701 0.3 . 1 . . . . . 314 ASN N . 50450 1 205 . 1 . 1 55 55 GLY H H 1 9.090 0.020 . 1 . . . . . 315 GLY H . 50450 1 206 . 1 . 1 55 55 GLY C C 13 174.002 0.3 . 1 . . . . . 315 GLY C . 50450 1 207 . 1 . 1 55 55 GLY CA C 13 45.437 0.3 . 1 . . . . . 315 GLY CA . 50450 1 208 . 1 . 1 55 55 GLY N N 15 105.245 0.3 . 1 . . . . . 315 GLY N . 50450 1 209 . 1 . 1 56 56 LYS H H 1 8.144 0.020 . 1 . . . . . 316 LYS H . 50450 1 210 . 1 . 1 56 56 LYS C C 13 173.936 0.3 . 1 . . . . . 316 LYS C . 50450 1 211 . 1 . 1 56 56 LYS CA C 13 53.026 0.3 . 1 . . . . . 316 LYS CA . 50450 1 212 . 1 . 1 56 56 LYS CB C 13 33.037 0.3 . 1 . . . . . 316 LYS CB . 50450 1 213 . 1 . 1 56 56 LYS N N 15 124.828 0.3 . 1 . . . . . 316 LYS N . 50450 1 214 . 1 . 1 58 58 ILE H H 1 7.962 0.020 . 1 . . . . . 318 ILE H . 50450 1 215 . 1 . 1 58 58 ILE C C 13 175.842 0.3 . 1 . . . . . 318 ILE C . 50450 1 216 . 1 . 1 58 58 ILE CA C 13 57.717 0.3 . 1 . . . . . 318 ILE CA . 50450 1 217 . 1 . 1 58 58 ILE CB C 13 39.565 0.3 . 1 . . . . . 318 ILE CB . 50450 1 218 . 1 . 1 58 58 ILE N N 15 123.818 0.3 . 1 . . . . . 318 ILE N . 50450 1 219 . 1 . 1 63 63 ALA H H 1 8.440 0.020 . 1 . . . . . 323 ALA H . 50450 1 220 . 1 . 1 63 63 ALA C C 13 180.155 0.3 . 1 . . . . . 323 ALA C . 50450 1 221 . 1 . 1 63 63 ALA CA C 13 54.895 0.3 . 1 . . . . . 323 ALA CA . 50450 1 222 . 1 . 1 63 63 ALA CB C 13 18.624 0.3 . 1 . . . . . 323 ALA CB . 50450 1 223 . 1 . 1 63 63 ALA N N 15 123.198 0.3 . 1 . . . . . 323 ALA N . 50450 1 224 . 1 . 1 64 64 LEU H H 1 7.693 0.020 . 1 . . . . . 324 LEU H . 50450 1 225 . 1 . 1 64 64 LEU C C 13 177.731 0.3 . 1 . . . . . 324 LEU C . 50450 1 226 . 1 . 1 64 64 LEU CA C 13 58.671 0.3 . 1 . . . . . 324 LEU CA . 50450 1 227 . 1 . 1 64 64 LEU CB C 13 41.475 0.3 . 1 . . . . . 324 LEU CB . 50450 1 228 . 1 . 1 64 64 LEU N N 15 122.557 0.3 . 1 . . . . . 324 LEU N . 50450 1 229 . 1 . 1 65 65 ARG H H 1 8.517 0.020 . 1 . . . . . 325 ARG H . 50450 1 230 . 1 . 1 65 65 ARG C C 13 179.436 0.3 . 1 . . . . . 325 ARG C . 50450 1 231 . 1 . 1 65 65 ARG CA C 13 59.777 0.3 . 1 . . . . . 325 ARG CA . 50450 1 232 . 1 . 1 65 65 ARG CB C 13 29.913 0.3 . 1 . . . . . 325 ARG CB . 50450 1 233 . 1 . 1 65 65 ARG N N 15 119.982 0.3 . 1 . . . . . 325 ARG N . 50450 1 234 . 1 . 1 66 66 ALA H H 1 8.070 0.020 . 1 . . . . . 326 ALA H . 50450 1 235 . 1 . 1 66 66 ALA C C 13 180.239 0.3 . 1 . . . . . 326 ALA C . 50450 1 236 . 1 . 1 66 66 ALA CA C 13 54.819 0.3 . 1 . . . . . 326 ALA CA . 50450 1 237 . 1 . 1 66 66 ALA CB C 13 18.396 0.3 . 1 . . . . . 326 ALA CB . 50450 1 238 . 1 . 1 66 66 ALA N N 15 123.616 0.3 . 1 . . . . . 326 ALA N . 50450 1 239 . 1 . 1 67 67 GLN H H 1 8.169 0.020 . 1 . . . . . 327 GLN H . 50450 1 240 . 1 . 1 67 67 GLN C C 13 179.503 0.3 . 1 . . . . . 327 GLN C . 50450 1 241 . 1 . 1 67 67 GLN CA C 13 58.938 0.3 . 1 . . . . . 327 GLN CA . 50450 1 242 . 1 . 1 67 67 GLN CB C 13 29.109 0.3 . 1 . . . . . 327 GLN CB . 50450 1 243 . 1 . 1 67 67 GLN N N 15 119.266 0.3 . 1 . . . . . 327 GLN N . 50450 1 244 . 1 . 1 68 68 VAL H H 1 8.641 0.020 . 1 . . . . . 328 VAL H . 50450 1 245 . 1 . 1 68 68 VAL C C 13 178.132 0.3 . 1 . . . . . 328 VAL C . 50450 1 246 . 1 . 1 68 68 VAL CA C 13 65.841 0.3 . 1 . . . . . 328 VAL CA . 50450 1 247 . 1 . 1 68 68 VAL CB C 13 31.546 0.3 . 1 . . . . . 328 VAL CB . 50450 1 248 . 1 . 1 68 68 VAL N N 15 120.472 0.3 . 1 . . . . . 328 VAL N . 50450 1 249 . 1 . 1 69 69 GLY H H 1 8.004 0.020 . 1 . . . . . 329 GLY H . 50450 1 250 . 1 . 1 69 69 GLY C C 13 174.671 0.3 . 1 . . . . . 329 GLY C . 50450 1 251 . 1 . 1 69 69 GLY CA C 13 46.695 0.3 . 1 . . . . . 329 GLY CA . 50450 1 252 . 1 . 1 69 69 GLY N N 15 107.660 0.3 . 1 . . . . . 329 GLY N . 50450 1 253 . 1 . 1 70 70 THR H H 1 7.504 0.020 . 1 . . . . . 330 THR H . 50450 1 254 . 1 . 1 70 70 THR C C 13 175.022 0.3 . 1 . . . . . 330 THR C . 50450 1 255 . 1 . 1 70 70 THR CA C 13 61.684 0.3 . 1 . . . . . 330 THR CA . 50450 1 256 . 1 . 1 70 70 THR CB C 13 69.848 0.3 . 1 . . . . . 330 THR CB . 50450 1 257 . 1 . 1 70 70 THR N N 15 110.633 0.3 . 1 . . . . . 330 THR N . 50450 1 258 . 1 . 1 71 71 MET H H 1 7.827 0.020 . 1 . . . . . 331 MET H . 50450 1 259 . 1 . 1 71 71 MET C C 13 174.170 0.3 . 1 . . . . . 331 MET C . 50450 1 260 . 1 . 1 71 71 MET CA C 13 54.361 0.3 . 1 . . . . . 331 MET CA . 50450 1 261 . 1 . 1 71 71 MET CB C 13 32.380 0.3 . 1 . . . . . 331 MET CB . 50450 1 262 . 1 . 1 71 71 MET N N 15 126.209 0.3 . 1 . . . . . 331 MET N . 50450 1 263 . 1 . 1 73 73 VAL H H 1 8.622 0.020 . 1 . . . . . 333 VAL H . 50450 1 264 . 1 . 1 73 73 VAL C C 13 176.577 0.3 . 1 . . . . . 333 VAL C . 50450 1 265 . 1 . 1 73 73 VAL CA C 13 65.154 0.3 . 1 . . . . . 333 VAL CA . 50450 1 266 . 1 . 1 73 73 VAL CB C 13 31.780 0.3 . 1 . . . . . 333 VAL CB . 50450 1 267 . 1 . 1 73 73 VAL N N 15 124.852 0.3 . 1 . . . . . 333 VAL N . 50450 1 268 . 1 . 1 74 74 GLY H H 1 9.477 0.020 . 1 . . . . . 334 GLY H . 50450 1 269 . 1 . 1 74 74 GLY C C 13 174.988 0.3 . 1 . . . . . 334 GLY C . 50450 1 270 . 1 . 1 74 74 GLY CA C 13 44.941 0.3 . 1 . . . . . 334 GLY CA . 50450 1 271 . 1 . 1 74 74 GLY N N 15 119.134 0.3 . 1 . . . . . 334 GLY N . 50450 1 272 . 1 . 1 75 75 SER H H 1 7.868 0.020 . 1 . . . . . 335 SER H . 50450 1 273 . 1 . 1 75 75 SER C C 13 172.247 0.3 . 1 . . . . . 335 SER C . 50450 1 274 . 1 . 1 75 75 SER CA C 13 60.501 0.3 . 1 . . . . . 335 SER CA . 50450 1 275 . 1 . 1 75 75 SER CB C 13 64.549 0.3 . 1 . . . . . 335 SER CB . 50450 1 276 . 1 . 1 75 75 SER N N 15 118.388 0.3 . 1 . . . . . 335 SER N . 50450 1 277 . 1 . 1 76 76 LYS H H 1 8.621 0.020 . 1 . . . . . 336 LYS H . 50450 1 278 . 1 . 1 76 76 LYS C C 13 175.975 0.3 . 1 . . . . . 336 LYS C . 50450 1 279 . 1 . 1 76 76 LYS CA C 13 55.772 0.3 . 1 . . . . . 336 LYS CA . 50450 1 280 . 1 . 1 76 76 LYS CB C 13 33.309 0.3 . 1 . . . . . 336 LYS CB . 50450 1 281 . 1 . 1 76 76 LYS N N 15 125.273 0.3 . 1 . . . . . 336 LYS N . 50450 1 282 . 1 . 1 77 77 LEU H H 1 9.243 0.020 . 1 . . . . . 337 LEU H . 50450 1 283 . 1 . 1 77 77 LEU C C 13 175.981 0.3 . 1 . . . . . 337 LEU C . 50450 1 284 . 1 . 1 77 77 LEU CA C 13 54.209 0.3 . 1 . . . . . 337 LEU CA . 50450 1 285 . 1 . 1 77 77 LEU CB C 13 44.620 0.3 . 1 . . . . . 337 LEU CB . 50450 1 286 . 1 . 1 77 77 LEU N N 15 126.297 0.3 . 1 . . . . . 337 LEU N . 50450 1 287 . 1 . 1 78 78 THR H H 1 8.844 0.020 . 1 . . . . . 338 THR H . 50450 1 288 . 1 . 1 78 78 THR C C 13 174.738 0.3 . 1 . . . . . 338 THR C . 50450 1 289 . 1 . 1 78 78 THR CA C 13 61.455 0.3 . 1 . . . . . 338 THR CA . 50450 1 290 . 1 . 1 78 78 THR CB C 13 70.587 0.3 . 1 . . . . . 338 THR CB . 50450 1 291 . 1 . 1 78 78 THR N N 15 119.852 0.3 . 1 . . . . . 338 THR N . 50450 1 292 . 1 . 1 79 79 LEU H H 1 9.504 0.020 . 1 . . . . . 339 LEU H . 50450 1 293 . 1 . 1 79 79 LEU C C 13 175.172 0.3 . 1 . . . . . 339 LEU C . 50450 1 294 . 1 . 1 79 79 LEU CA C 13 53.865 0.3 . 1 . . . . . 339 LEU CA . 50450 1 295 . 1 . 1 79 79 LEU CB C 13 44.137 0.3 . 1 . . . . . 339 LEU CB . 50450 1 296 . 1 . 1 79 79 LEU N N 15 131.575 0.3 . 1 . . . . . 339 LEU N . 50450 1 297 . 1 . 1 80 80 GLY H H 1 8.627 0.020 . 1 . . . . . 340 GLY H . 50450 1 298 . 1 . 1 80 80 GLY C C 13 173.078 0.3 . 1 . . . . . 340 GLY C . 50450 1 299 . 1 . 1 80 80 GLY CA C 13 44.826 0.3 . 1 . . . . . 340 GLY CA . 50450 1 300 . 1 . 1 80 80 GLY N N 15 114.460 0.3 . 1 . . . . . 340 GLY N . 50450 1 301 . 1 . 1 81 81 LEU H H 1 9.502 0.020 . 1 . . . . . 341 LEU H . 50450 1 302 . 1 . 1 81 81 LEU C C 13 175.708 0.3 . 1 . . . . . 341 LEU C . 50450 1 303 . 1 . 1 81 81 LEU CA C 13 53.293 0.3 . 1 . . . . . 341 LEU CA . 50450 1 304 . 1 . 1 81 81 LEU CB C 13 46.188 0.3 . 1 . . . . . 341 LEU CB . 50450 1 305 . 1 . 1 81 81 LEU N N 15 126.639 0.3 . 1 . . . . . 341 LEU N . 50450 1 306 . 1 . 1 82 82 LEU H H 1 9.501 0.020 . 1 . . . . . 342 LEU H . 50450 1 307 . 1 . 1 82 82 LEU C C 13 176.577 0.3 . 1 . . . . . 342 LEU C . 50450 1 308 . 1 . 1 82 82 LEU CA C 13 53.865 0.3 . 1 . . . . . 342 LEU CA . 50450 1 309 . 1 . 1 82 82 LEU CB C 13 44.628 0.3 . 1 . . . . . 342 LEU CB . 50450 1 310 . 1 . 1 82 82 LEU N N 15 124.959 0.3 . 1 . . . . . 342 LEU N . 50450 1 311 . 1 . 1 83 83 ARG H H 1 9.325 0.020 . 1 . . . . . 343 ARG H . 50450 1 312 . 1 . 1 83 83 ARG C C 13 175.875 0.3 . 1 . . . . . 343 ARG C . 50450 1 313 . 1 . 1 83 83 ARG CA C 13 55.353 0.3 . 1 . . . . . 343 ARG CA . 50450 1 314 . 1 . 1 83 83 ARG CB C 13 33.342 0.3 . 1 . . . . . 343 ARG CB . 50450 1 315 . 1 . 1 83 83 ARG N N 15 129.528 0.3 . 1 . . . . . 343 ARG N . 50450 1 316 . 1 . 1 84 84 ASP H H 1 9.699 0.020 . 1 . . . . . 344 ASP H . 50450 1 317 . 1 . 1 84 84 ASP C C 13 176.145 0.3 . 1 . . . . . 344 ASP C . 50450 1 318 . 1 . 1 84 84 ASP CA C 13 55.810 0.3 . 1 . . . . . 344 ASP CA . 50450 1 319 . 1 . 1 84 84 ASP CB C 13 40.219 0.3 . 1 . . . . . 344 ASP CB . 50450 1 320 . 1 . 1 84 84 ASP N N 15 132.365 0.3 . 1 . . . . . 344 ASP N . 50450 1 321 . 1 . 1 85 85 GLY H H 1 8.817 0.020 . 1 . . . . . 345 GLY H . 50450 1 322 . 1 . 1 85 85 GLY C C 13 173.788 0.3 . 1 . . . . . 345 GLY C . 50450 1 323 . 1 . 1 85 85 GLY CA C 13 45.866 0.3 . 1 . . . . . 345 GLY CA . 50450 1 324 . 1 . 1 85 85 GLY N N 15 105.097 0.3 . 1 . . . . . 345 GLY N . 50450 1 325 . 1 . 1 86 86 LYS H H 1 8.172 0.020 . 1 . . . . . 346 LYS H . 50450 1 326 . 1 . 1 86 86 LYS C C 13 175.006 0.3 . 1 . . . . . 346 LYS C . 50450 1 327 . 1 . 1 86 86 LYS CA C 13 54.666 0.3 . 1 . . . . . 346 LYS CA . 50450 1 328 . 1 . 1 86 86 LYS CB C 13 34.876 0.3 . 1 . . . . . 346 LYS CB . 50450 1 329 . 1 . 1 86 86 LYS N N 15 123.575 0.3 . 1 . . . . . 346 LYS N . 50450 1 330 . 1 . 1 87 87 GLN H H 1 8.595 0.020 . 1 . . . . . 347 GLN H . 50450 1 331 . 1 . 1 87 87 GLN C C 13 176.143 0.3 . 1 . . . . . 347 GLN C . 50450 1 332 . 1 . 1 87 87 GLN CA C 13 55.963 0.3 . 1 . . . . . 347 GLN CA . 50450 1 333 . 1 . 1 87 87 GLN CB C 13 29.282 0.3 . 1 . . . . . 347 GLN CB . 50450 1 334 . 1 . 1 87 87 GLN N N 15 124.276 0.3 . 1 . . . . . 347 GLN N . 50450 1 335 . 1 . 1 88 88 VAL H H 1 9.315 0.020 . 1 . . . . . 348 VAL H . 50450 1 336 . 1 . 1 88 88 VAL C C 13 173.835 0.3 . 1 . . . . . 348 VAL C . 50450 1 337 . 1 . 1 88 88 VAL CA C 13 61.226 0.3 . 1 . . . . . 348 VAL CA . 50450 1 338 . 1 . 1 88 88 VAL CB C 13 35.832 0.3 . 1 . . . . . 348 VAL CB . 50450 1 339 . 1 . 1 88 88 VAL N N 15 128.936 0.3 . 1 . . . . . 348 VAL N . 50450 1 340 . 1 . 1 89 89 ASN H H 1 8.680 0.020 . 1 . . . . . 349 ASN H . 50450 1 341 . 1 . 1 89 89 ASN C C 13 175.290 0.3 . 1 . . . . . 349 ASN C . 50450 1 342 . 1 . 1 89 89 ASN CA C 13 52.187 0.3 . 1 . . . . . 349 ASN CA . 50450 1 343 . 1 . 1 89 89 ASN CB C 13 41.090 0.3 . 1 . . . . . 349 ASN CB . 50450 1 344 . 1 . 1 89 89 ASN N N 15 125.862 0.3 . 1 . . . . . 349 ASN N . 50450 1 345 . 1 . 1 90 90 VAL H H 1 9.242 0.020 . 1 . . . . . 350 VAL H . 50450 1 346 . 1 . 1 90 90 VAL C C 13 173.869 0.3 . 1 . . . . . 350 VAL C . 50450 1 347 . 1 . 1 90 90 VAL CA C 13 60.234 0.3 . 1 . . . . . 350 VAL CA . 50450 1 348 . 1 . 1 90 90 VAL CB C 13 35.253 0.3 . 1 . . . . . 350 VAL CB . 50450 1 349 . 1 . 1 90 90 VAL N N 15 121.037 0.3 . 1 . . . . . 350 VAL N . 50450 1 350 . 1 . 1 91 91 ASN H H 1 8.849 0.020 . 1 . . . . . 351 ASN H . 50450 1 351 . 1 . 1 91 91 ASN C C 13 173.785 0.3 . 1 . . . . . 351 ASN C . 50450 1 352 . 1 . 1 91 91 ASN CA C 13 52.569 0.3 . 1 . . . . . 351 ASN CA . 50450 1 353 . 1 . 1 91 91 ASN CB C 13 40.558 0.3 . 1 . . . . . 351 ASN CB . 50450 1 354 . 1 . 1 91 91 ASN N N 15 125.506 0.3 . 1 . . . . . 351 ASN N . 50450 1 355 . 1 . 1 92 92 LEU H H 1 9.219 0.020 . 1 . . . . . 352 LEU H . 50450 1 356 . 1 . 1 92 92 LEU C C 13 174.287 0.3 . 1 . . . . . 352 LEU C . 50450 1 357 . 1 . 1 92 92 LEU CA C 13 54.895 0.3 . 1 . . . . . 352 LEU CA . 50450 1 358 . 1 . 1 92 92 LEU CB C 13 45.524 0.3 . 1 . . . . . 352 LEU CB . 50450 1 359 . 1 . 1 92 92 LEU N N 15 125.620 0.3 . 1 . . . . . 352 LEU N . 50450 1 360 . 1 . 1 93 93 GLU H H 1 8.482 0.020 . 1 . . . . . 353 GLU H . 50450 1 361 . 1 . 1 93 93 GLU C C 13 175.491 0.3 . 1 . . . . . 353 GLU C . 50450 1 362 . 1 . 1 93 93 GLU CA C 13 55.009 0.3 . 1 . . . . . 353 GLU CA . 50450 1 363 . 1 . 1 93 93 GLU CB C 13 32.075 0.3 . 1 . . . . . 353 GLU CB . 50450 1 364 . 1 . 1 93 93 GLU N N 15 126.224 0.3 . 1 . . . . . 353 GLU N . 50450 1 365 . 1 . 1 94 94 LEU H H 1 8.625 0.020 . 1 . . . . . 354 LEU H . 50450 1 366 . 1 . 1 94 94 LEU C C 13 181.944 0.3 . 1 . . . . . 354 LEU C . 50450 1 367 . 1 . 1 94 94 LEU CA C 13 57.145 0.3 . 1 . . . . . 354 LEU CA . 50450 1 368 . 1 . 1 94 94 LEU CB C 13 43.618 0.3 . 1 . . . . . 354 LEU CB . 50450 1 369 . 1 . 1 94 94 LEU N N 15 134.871 0.3 . 1 . . . . . 354 LEU N . 50450 1 stop_ save_