################################### # 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 36731 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' 1 $sample_1 isotropic 36731 1 2 '3D HNCA' 1 $sample_1 isotropic 36731 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36731 1 4 '3D HNCACB' 1 $sample_1 isotropic 36731 1 5 '2D 1H-13C HSQC' 1 $sample_1 isotropic 36731 1 6 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36731 1 7 '3D HCCH-TOCSY' 1 $sample_1 isotropic 36731 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 GLY HA2 H 1 3.904 0 . 2 . 2.0 . . A 387 GLY HA2 . 36731 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.904 0 . . . 1.0 . . A 387 GLY HA2 . 36731 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.904 0 . 2 . 2.0 . . A 387 GLY HA3 . 36731 1 4 . 1 . 1 1 1 GLY HA3 H 1 3.905 0 . . . 1.0 . . A 387 GLY HA3 . 36731 1 5 . 1 . 1 1 1 GLY CA C 13 43.458 0.009 . 1 . 3.0 . . A 387 GLY CA . 36731 1 6 . 1 . 1 2 2 SER HA H 1 4.625 0.004 . 1 . 4.0 . . A 388 SER HA . 36731 1 7 . 1 . 1 2 2 SER HB2 H 1 3.931 0.003 . . . 2.0 . . A 388 SER HB2 . 36731 1 8 . 1 . 1 2 2 SER HB3 H 1 3.886 0 . . . 1.0 . . A 388 SER HB3 . 36731 1 9 . 1 . 1 2 2 SER CA C 13 58.296 0.057 . 1 . 5.0 . . A 388 SER CA . 36731 1 10 . 1 . 1 2 2 SER CB C 13 63.965 0.04 . 1 . 4.0 . . A 388 SER CB . 36731 1 11 . 1 . 1 3 3 THR H H 1 8.52 0.001 . 1 . 7.0 . . A 389 THR H . 36731 1 12 . 1 . 1 3 3 THR HA H 1 4.434 0.002 . 1 . 5.0 . . A 389 THR HA . 36731 1 13 . 1 . 1 3 3 THR HB H 1 4.231 0.002 . 1 . 5.0 . . A 389 THR HB . 36731 1 14 . 1 . 1 3 3 THR HG21 H 1 1.199 0.006 . 1 . 5.0 . . A 389 THR HG21 . 36731 1 15 . 1 . 1 3 3 THR HG22 H 1 1.199 0.006 . 1 . 5.0 . . A 389 THR HG22 . 36731 1 16 . 1 . 1 3 3 THR HG23 H 1 1.199 0.006 . 1 . 5.0 . . A 389 THR HG23 . 36731 1 17 . 1 . 1 3 3 THR CA C 13 62.259 0.032 . 1 . 6.0 . . A 389 THR CA . 36731 1 18 . 1 . 1 3 3 THR CB C 13 69.812 0.101 . 1 . 7.0 . . A 389 THR CB . 36731 1 19 . 1 . 1 3 3 THR CG2 C 13 21.605 0 . 1 . 2.0 . . A 389 THR CG2 . 36731 1 20 . 1 . 1 3 3 THR N N 15 115.476 0.008 . 1 . 7.0 . . A 389 THR N . 36731 1 21 . 1 . 1 4 4 GLY H H 1 8.577 0.001 . 1 . 9.0 . . A 390 GLY H . 36731 1 22 . 1 . 1 4 4 GLY HA2 H 1 3.985 0 . 2 . 1.0 . . A 390 GLY HA2 . 36731 1 23 . 1 . 1 4 4 GLY HA2 H 1 4.003 0.016 . . . 4.0 . . A 390 GLY HA2 . 36731 1 24 . 1 . 1 4 4 GLY HA3 H 1 3.985 0 . 2 . 1.0 . . A 390 GLY HA3 . 36731 1 25 . 1 . 1 4 4 GLY HA3 H 1 3.959 0.004 . . . 3.0 . . A 390 GLY HA3 . 36731 1 26 . 1 . 1 4 4 GLY CA C 13 45.436 0.048 . 1 . 7.0 . . A 390 GLY CA . 36731 1 27 . 1 . 1 4 4 GLY N N 15 110.976 0.018 . 1 . 8.0 . . A 390 GLY N . 36731 1 28 . 1 . 1 5 5 GLU H H 1 8.377 0.002 . 1 . 10.0 . . A 391 GLU H . 36731 1 29 . 1 . 1 5 5 GLU HA H 1 4.263 0.009 . 1 . 7.0 . . A 391 GLU HA . 36731 1 30 . 1 . 1 5 5 GLU HB2 H 1 1.929 0.006 . 2 . 6.0 . . A 391 GLU HB2 . 36731 1 31 . 1 . 1 5 5 GLU HB3 H 1 1.929 0.006 . 2 . 6.0 . . A 391 GLU HB3 . 36731 1 32 . 1 . 1 5 5 GLU HG2 H 1 2.248 0.01 . 2 . 5.0 . . A 391 GLU HG2 . 36731 1 33 . 1 . 1 5 5 GLU HG3 H 1 2.248 0.01 . 2 . 5.0 . . A 391 GLU HG3 . 36731 1 34 . 1 . 1 5 5 GLU CA C 13 56.774 0.034 . 1 . 5.0 . . A 391 GLU CA . 36731 1 35 . 1 . 1 5 5 GLU CB C 13 30.272 0.095 . 1 . 7.0 . . A 391 GLU CB . 36731 1 36 . 1 . 1 5 5 GLU CG C 13 36.306 0.013 . 1 . 3.0 . . A 391 GLU CG . 36731 1 37 . 1 . 1 5 5 GLU N N 15 120.651 0.014 . 1 . 9.0 . . A 391 GLU N . 36731 1 38 . 1 . 1 6 6 ASP H H 1 8.481 0.001 . 1 . 11.0 . . A 392 ASP H . 36731 1 39 . 1 . 1 6 6 ASP HA H 1 4.545 0.004 . 1 . 6.0 . . A 392 ASP HA . 36731 1 40 . 1 . 1 6 6 ASP HB2 H 1 2.646 0.021 . 2 . 5.0 . . A 392 ASP HB2 . 36731 1 41 . 1 . 1 6 6 ASP HB3 H 1 2.646 0.021 . 2 . 5.0 . . A 392 ASP HB3 . 36731 1 42 . 1 . 1 6 6 ASP CA C 13 54.43 0.058 . 1 . 7.0 . . A 392 ASP CA . 36731 1 43 . 1 . 1 6 6 ASP CB C 13 40.921 0.05 . 1 . 5.0 . . A 392 ASP CB . 36731 1 44 . 1 . 1 6 6 ASP N N 15 120.999 0.017 . 1 . 10.0 . . A 392 ASP N . 36731 1 45 . 1 . 1 7 7 ALA H H 1 8.294 0.001 . 1 . 14.0 . . A 393 ALA H . 36731 1 46 . 1 . 1 7 7 ALA HA H 1 4.193 0.002 . 1 . 6.0 . . A 393 ALA HA . 36731 1 47 . 1 . 1 7 7 ALA HB1 H 1 1.332 0.002 . 1 . 7.0 . . A 393 ALA HB1 . 36731 1 48 . 1 . 1 7 7 ALA HB2 H 1 1.332 0.002 . 1 . 7.0 . . A 393 ALA HB2 . 36731 1 49 . 1 . 1 7 7 ALA HB3 H 1 1.332 0.002 . 1 . 7.0 . . A 393 ALA HB3 . 36731 1 50 . 1 . 1 7 7 ALA CA C 13 53.241 0.022 . 1 . 6.0 . . A 393 ALA CA . 36731 1 51 . 1 . 1 7 7 ALA CB C 13 18.87 0.066 . 1 . 6.0 . . A 393 ALA CB . 36731 1 52 . 1 . 1 7 7 ALA N N 15 124.566 0.013 . 1 . 11.0 . . A 393 ALA N . 36731 1 53 . 1 . 1 8 8 HIS H H 1 8.469 0.001 . 1 . 6.0 . . A 394 HIS H . 36731 1 54 . 1 . 1 8 8 HIS HA H 1 4.585 0.003 . 1 . 7.0 . . A 394 HIS HA . 36731 1 55 . 1 . 1 8 8 HIS HB2 H 1 3.187 0 . 2 . 1.0 . . A 394 HIS HB2 . 36731 1 56 . 1 . 1 8 8 HIS HB2 H 1 3.209 0.009 . . . 4.0 . . A 394 HIS HB2 . 36731 1 57 . 1 . 1 8 8 HIS HB3 H 1 3.187 0 . 2 . 1.0 . . A 394 HIS HB3 . 36731 1 58 . 1 . 1 8 8 HIS HB3 H 1 3.181 0.006 . . . 3.0 . . A 394 HIS HB3 . 36731 1 59 . 1 . 1 8 8 HIS CA C 13 56.183 0.055 . 1 . 7.0 . . A 394 HIS CA . 36731 1 60 . 1 . 1 8 8 HIS CB C 13 29.196 0.129 . 1 . 8.0 . . A 394 HIS CB . 36731 1 61 . 1 . 1 8 8 HIS N N 15 116.548 0.019 . 1 . 6.0 . . A 394 HIS N . 36731 1 62 . 1 . 1 9 9 LEU H H 1 8.1 0.005 . 1 . 14.0 . . A 395 LEU H . 36731 1 63 . 1 . 1 9 9 LEU HA H 1 4.347 0.007 . 1 . 7.0 . . A 395 LEU HA . 36731 1 64 . 1 . 1 9 9 LEU HB2 H 1 1.663 0 . 2 . 1.0 . . A 395 LEU HB2 . 36731 1 65 . 1 . 1 9 9 LEU HB2 H 1 1.685 0.011 . . . 4.0 . . A 395 LEU HB2 . 36731 1 66 . 1 . 1 9 9 LEU HB3 H 1 1.663 0 . 2 . 1.0 . . A 395 LEU HB3 . 36731 1 67 . 1 . 1 9 9 LEU HB3 H 1 1.581 0.007 . . . 4.0 . . A 395 LEU HB3 . 36731 1 68 . 1 . 1 9 9 LEU HG H 1 1.475 0.008 . 1 . 3.0 . . A 395 LEU HG . 36731 1 69 . 1 . 1 9 9 LEU HD11 H 1 0.925 0 . . . 3.0 . . A 395 LEU HD11 . 36731 1 70 . 1 . 1 9 9 LEU HD12 H 1 0.925 0 . . . 3.0 . . A 395 LEU HD12 . 36731 1 71 . 1 . 1 9 9 LEU HD13 H 1 0.925 0 . . . 3.0 . . A 395 LEU HD13 . 36731 1 72 . 1 . 1 9 9 LEU HD21 H 1 0.855 0.005 . . . 5.0 . . A 395 LEU HD21 . 36731 1 73 . 1 . 1 9 9 LEU HD22 H 1 0.855 0.005 . . . 5.0 . . A 395 LEU HD22 . 36731 1 74 . 1 . 1 9 9 LEU HD23 H 1 0.855 0.005 . . . 5.0 . . A 395 LEU HD23 . 36731 1 75 . 1 . 1 9 9 LEU CA C 13 55.576 0.088 . 1 . 7.0 . . A 395 LEU CA . 36731 1 76 . 1 . 1 9 9 LEU CB C 13 42.177 0.066 . 1 . 7.0 . . A 395 LEU CB . 36731 1 77 . 1 . 1 9 9 LEU CG C 13 26.938 0.109 . 1 . 2.0 . . A 395 LEU CG . 36731 1 78 . 1 . 1 9 9 LEU CD1 C 13 25.069 0.003 . . . 2.0 . . A 395 LEU CD1 . 36731 1 79 . 1 . 1 9 9 LEU CD2 C 13 23.215 0.019 . . . 3.0 . . A 395 LEU CD2 . 36731 1 80 . 1 . 1 9 9 LEU N N 15 121.681 0.023 . 1 . 12.0 . . A 395 LEU N . 36731 1 81 . 1 . 1 10 10 THR H H 1 8.158 0.003 . 1 . 13.0 . . A 396 THR H . 36731 1 82 . 1 . 1 10 10 THR HA H 1 4.248 0.002 . 1 . 6.0 . . A 396 THR HA . 36731 1 83 . 1 . 1 10 10 THR HB H 1 4.169 0.011 . 1 . 3.0 . . A 396 THR HB . 36731 1 84 . 1 . 1 10 10 THR HG21 H 1 1.148 0.003 . 1 . 6.0 . . A 396 THR HG21 . 36731 1 85 . 1 . 1 10 10 THR HG22 H 1 1.148 0.003 . 1 . 6.0 . . A 396 THR HG22 . 36731 1 86 . 1 . 1 10 10 THR HG23 H 1 1.148 0.003 . 1 . 6.0 . . A 396 THR HG23 . 36731 1 87 . 1 . 1 10 10 THR CA C 13 62.339 0.083 . 1 . 7.0 . . A 396 THR CA . 36731 1 88 . 1 . 1 10 10 THR CB C 13 69.522 0.066 . 1 . 4.0 . . A 396 THR CB . 36731 1 89 . 1 . 1 10 10 THR CG2 C 13 21.602 0.007 . 1 . 3.0 . . A 396 THR CG2 . 36731 1 90 . 1 . 1 10 10 THR N N 15 114.616 0.016 . 1 . 11.0 . . A 396 THR N . 36731 1 91 . 1 . 1 11 11 GLN H H 1 8.359 0.003 . 1 . 13.0 . . A 397 GLN H . 36731 1 92 . 1 . 1 11 11 GLN HA H 1 4.261 0.014 . 1 . 3.0 . . A 397 GLN HA . 36731 1 93 . 1 . 1 11 11 GLN HB2 H 1 1.953 0.008 . 2 . 4.0 . . A 397 GLN HB2 . 36731 1 94 . 1 . 1 11 11 GLN HB3 H 1 1.953 0.008 . 2 . 4.0 . . A 397 GLN HB3 . 36731 1 95 . 1 . 1 11 11 GLN HG2 H 1 2.225 0.002 . 2 . 4.0 . . A 397 GLN HG2 . 36731 1 96 . 1 . 1 11 11 GLN HG3 H 1 2.225 0.002 . 2 . 4.0 . . A 397 GLN HG3 . 36731 1 97 . 1 . 1 11 11 GLN CA C 13 55.813 0.037 . 1 . 4.0 . . A 397 GLN CA . 36731 1 98 . 1 . 1 11 11 GLN CB C 13 29.323 0.087 . 1 . 4.0 . . A 397 GLN CB . 36731 1 99 . 1 . 1 11 11 GLN CG C 13 33.593 0.015 . 1 . 3.0 . . A 397 GLN CG . 36731 1 100 . 1 . 1 11 11 GLN N N 15 122.425 0.019 . 1 . 11.0 . . A 397 GLN N . 36731 1 101 . 1 . 1 12 12 TYR H H 1 8.33 0.002 . 1 . 14.0 . . A 398 TYR H . 36731 1 102 . 1 . 1 12 12 TYR HA H 1 4.53 0.003 . 1 . 8.0 . . A 398 TYR HA . 36731 1 103 . 1 . 1 12 12 TYR HB2 H 1 2.96 0.005 . 2 . 8.0 . . A 398 TYR HB2 . 36731 1 104 . 1 . 1 12 12 TYR HB3 H 1 2.96 0.005 . 2 . 8.0 . . A 398 TYR HB3 . 36731 1 105 . 1 . 1 12 12 TYR CA C 13 57.893 0.045 . 1 . 7.0 . . A 398 TYR CA . 36731 1 106 . 1 . 1 12 12 TYR CB C 13 38.682 0.095 . 1 . 7.0 . . A 398 TYR CB . 36731 1 107 . 1 . 1 12 12 TYR N N 15 122.094 0.027 . 1 . 12.0 . . A 398 TYR N . 36731 1 108 . 1 . 1 13 13 LYS H H 1 8.161 0.002 . 1 . 15.0 . . A 399 LYS H . 36731 1 109 . 1 . 1 13 13 LYS HA H 1 4.534 0.002 . 1 . 5.0 . . A 399 LYS HA . 36731 1 110 . 1 . 1 13 13 LYS HB2 H 1 1.795 0.004 . . . 4.0 . . A 399 LYS HB2 . 36731 1 111 . 1 . 1 13 13 LYS HB3 H 1 1.739 0 . . . 1.0 . . A 399 LYS HB3 . 36731 1 112 . 1 . 1 13 13 LYS HG2 H 1 1.376 0 . 2 . 1.0 . . A 399 LYS HG2 . 36731 1 113 . 1 . 1 13 13 LYS HG2 H 1 1.391 0.006 . . . 5.0 . . A 399 LYS HG2 . 36731 1 114 . 1 . 1 13 13 LYS HG3 H 1 1.376 0 . 2 . 1.0 . . A 399 LYS HG3 . 36731 1 115 . 1 . 1 13 13 LYS HG3 H 1 1.367 0.005 . . . 4.0 . . A 399 LYS HG3 . 36731 1 116 . 1 . 1 13 13 LYS HD2 H 1 1.647 0.011 . 2 . 6.0 . . A 399 LYS HD2 . 36731 1 117 . 1 . 1 13 13 LYS HD3 H 1 1.647 0.011 . 2 . 6.0 . . A 399 LYS HD3 . 36731 1 118 . 1 . 1 13 13 LYS HE2 H 1 2.978 0.002 . 2 . 4.0 . . A 399 LYS HE2 . 36731 1 119 . 1 . 1 13 13 LYS HE3 H 1 2.978 0.002 . 2 . 4.0 . . A 399 LYS HE3 . 36731 1 120 . 1 . 1 13 13 LYS CA C 13 53.703 0.047 . 1 . 3.0 . . A 399 LYS CA . 36731 1 121 . 1 . 1 13 13 LYS CB C 13 33.031 0.069 . 1 . 7.0 . . A 399 LYS CB . 36731 1 122 . 1 . 1 13 13 LYS CG C 13 24.513 0.084 . 1 . 6.0 . . A 399 LYS CG . 36731 1 123 . 1 . 1 13 13 LYS CD C 13 29.171 0 . 1 . 1.0 . . A 399 LYS CD . 36731 1 124 . 1 . 1 13 13 LYS CE C 13 42.136 0.008 . 1 . 2.0 . . A 399 LYS CE . 36731 1 125 . 1 . 1 13 13 LYS N N 15 125.887 0.018 . 1 . 13.0 . . A 399 LYS N . 36731 1 126 . 1 . 1 14 14 PRO HA H 1 4.323 0.008 . 1 . 9.0 . . A 400 PRO HA . 36731 1 127 . 1 . 1 14 14 PRO HB2 H 1 2.312 0 . 2 . 1.0 . . A 400 PRO HB2 . 36731 1 128 . 1 . 1 14 14 PRO HB2 H 1 2.299 0.011 . . . 9.0 . . A 400 PRO HB2 . 36731 1 129 . 1 . 1 14 14 PRO HB3 H 1 2.312 0 . 2 . 1.0 . . A 400 PRO HB3 . 36731 1 130 . 1 . 1 14 14 PRO HB3 H 1 1.896 0.005 . . . 6.0 . . A 400 PRO HB3 . 36731 1 131 . 1 . 1 14 14 PRO HG2 H 1 1.993 0.008 . 2 . 7.0 . . A 400 PRO HG2 . 36731 1 132 . 1 . 1 14 14 PRO HG3 H 1 1.993 0.008 . 2 . 7.0 . . A 400 PRO HG3 . 36731 1 133 . 1 . 1 14 14 PRO HD2 H 1 3.603 0.004 . . . 8.0 . . A 400 PRO HD2 . 36731 1 134 . 1 . 1 14 14 PRO HD3 H 1 3.586 0.004 . . . 5.0 . . A 400 PRO HD3 . 36731 1 135 . 1 . 1 14 14 PRO CA C 13 62.76 0.047 . 1 . 7.0 . . A 400 PRO CA . 36731 1 136 . 1 . 1 14 14 PRO CB C 13 32.163 0.068 . 1 . 9.0 . . A 400 PRO CB . 36731 1 137 . 1 . 1 14 14 PRO CG C 13 27.281 0.091 . 1 . 4.0 . . A 400 PRO CG . 36731 1 138 . 1 . 1 14 14 PRO CD C 13 50.645 0.031 . 1 . 8.0 . . A 400 PRO CD . 36731 1 139 . 1 . 1 15 15 LYS H H 1 8.546 0.003 . 1 . 14.0 . . A 401 LYS H . 36731 1 140 . 1 . 1 15 15 LYS HA H 1 4.219 0.002 . 1 . 6.0 . . A 401 LYS HA . 36731 1 141 . 1 . 1 15 15 LYS HB2 H 1 1.762 0 . 2 . 1.0 . . A 401 LYS HB2 . 36731 1 142 . 1 . 1 15 15 LYS HB2 H 1 1.795 0.005 . . . 3.0 . . A 401 LYS HB2 . 36731 1 143 . 1 . 1 15 15 LYS HB3 H 1 1.762 0 . 2 . 1.0 . . A 401 LYS HB3 . 36731 1 144 . 1 . 1 15 15 LYS HB3 H 1 1.745 0.012 . . . 5.0 . . A 401 LYS HB3 . 36731 1 145 . 1 . 1 15 15 LYS HG2 H 1 1.461 0 . 2 . 1.0 . . A 401 LYS HG2 . 36731 1 146 . 1 . 1 15 15 LYS HG2 H 1 1.481 0.008 . . . 4.0 . . A 401 LYS HG2 . 36731 1 147 . 1 . 1 15 15 LYS HG3 H 1 1.461 0 . 2 . 1.0 . . A 401 LYS HG3 . 36731 1 148 . 1 . 1 15 15 LYS HG3 H 1 1.429 0.002 . . . 3.0 . . A 401 LYS HG3 . 36731 1 149 . 1 . 1 15 15 LYS HD2 H 1 1.67 0.003 . 2 . 3.0 . . A 401 LYS HD2 . 36731 1 150 . 1 . 1 15 15 LYS HD3 H 1 1.67 0.003 . 2 . 3.0 . . A 401 LYS HD3 . 36731 1 151 . 1 . 1 15 15 LYS HE2 H 1 2.977 0.003 . 2 . 3.0 . . A 401 LYS HE2 . 36731 1 152 . 1 . 1 15 15 LYS HE3 H 1 2.977 0.003 . 2 . 3.0 . . A 401 LYS HE3 . 36731 1 153 . 1 . 1 15 15 LYS CA C 13 56.373 0.06 . 1 . 6.0 . . A 401 LYS CA . 36731 1 154 . 1 . 1 15 15 LYS CB C 13 32.993 0.135 . 1 . 6.0 . . A 401 LYS CB . 36731 1 155 . 1 . 1 15 15 LYS CG C 13 24.858 0.018 . 1 . 5.0 . . A 401 LYS CG . 36731 1 156 . 1 . 1 15 15 LYS CD C 13 29.138 0.037 . 1 . 2.0 . . A 401 LYS CD . 36731 1 157 . 1 . 1 15 15 LYS CE C 13 42.136 0.008 . 1 . 2.0 . . A 401 LYS CE . 36731 1 158 . 1 . 1 15 15 LYS N N 15 121.786 0.018 . 1 . 12.0 . . A 401 LYS N . 36731 1 159 . 1 . 1 16 16 GLU H H 1 8.481 0.004 . 1 . 7.0 . . A 402 GLU H . 36731 1 160 . 1 . 1 16 16 GLU HA H 1 4.565 0.002 . 1 . 8.0 . . A 402 GLU HA . 36731 1 161 . 1 . 1 16 16 GLU HB2 H 1 2.041 0.005 . 2 . 6.0 . . A 402 GLU HB2 . 36731 1 162 . 1 . 1 16 16 GLU HB3 H 1 2.041 0.005 . 2 . 6.0 . . A 402 GLU HB3 . 36731 1 163 . 1 . 1 16 16 GLU HG2 H 1 2.294 0.003 . 2 . 3.0 . . A 402 GLU HG2 . 36731 1 164 . 1 . 1 16 16 GLU HG3 H 1 2.294 0.003 . 2 . 3.0 . . A 402 GLU HG3 . 36731 1 165 . 1 . 1 16 16 GLU CA C 13 54.352 0.051 . 1 . 5.0 . . A 402 GLU CA . 36731 1 166 . 1 . 1 16 16 GLU CB C 13 29.517 0.091 . 1 . 5.0 . . A 402 GLU CB . 36731 1 167 . 1 . 1 16 16 GLU CG C 13 36.072 0.037 . 1 . 2.0 . . A 402 GLU CG . 36731 1 168 . 1 . 1 16 16 GLU N N 15 123.517 0.017 . 1 . 5.0 . . A 402 GLU N . 36731 1 169 . 1 . 1 17 17 PRO HA H 1 4.445 0.002 . 1 . 8.0 . . A 403 PRO HA . 36731 1 170 . 1 . 1 17 17 PRO HB2 H 1 2.278 0 . 2 . 0.0 . . A 403 PRO HB2 . 36731 1 171 . 1 . 1 17 17 PRO HB2 H 1 2.29 0.007 . . . 9.0 . . A 403 PRO HB2 . 36731 1 172 . 1 . 1 17 17 PRO HB3 H 1 2.278 0 . 2 . 0.0 . . A 403 PRO HB3 . 36731 1 173 . 1 . 1 17 17 PRO HB3 H 1 1.898 0.01 . . . 6.0 . . A 403 PRO HB3 . 36731 1 174 . 1 . 1 17 17 PRO HG2 H 1 2.031 0.008 . 2 . 7.0 . . A 403 PRO HG2 . 36731 1 175 . 1 . 1 17 17 PRO HG3 H 1 2.031 0.008 . 2 . 7.0 . . A 403 PRO HG3 . 36731 1 176 . 1 . 1 17 17 PRO HD2 H 1 3.829 0.006 . . . 7.0 . . A 403 PRO HD2 . 36731 1 177 . 1 . 1 17 17 PRO HD3 H 1 3.699 0.005 . . . 5.0 . . A 403 PRO HD3 . 36731 1 178 . 1 . 1 17 17 PRO CA C 13 63.027 0.066 . 1 . 6.0 . . A 403 PRO CA . 36731 1 179 . 1 . 1 17 17 PRO CB C 13 32.174 0.054 . 1 . 8.0 . . A 403 PRO CB . 36731 1 180 . 1 . 1 17 17 PRO CG C 13 27.446 0.064 . 1 . 4.0 . . A 403 PRO CG . 36731 1 181 . 1 . 1 17 17 PRO CD C 13 50.684 0.022 . 1 . 8.0 . . A 403 PRO CD . 36731 1 182 . 1 . 1 18 18 VAL H H 1 8.459 0.009 . 1 . 13.0 . . A 404 VAL H . 36731 1 183 . 1 . 1 18 18 VAL HA H 1 4.147 0.004 . 1 . 7.0 . . A 404 VAL HA . 36731 1 184 . 1 . 1 18 18 VAL HB H 1 2.066 0.008 . 1 . 9.0 . . A 404 VAL HB . 36731 1 185 . 1 . 1 18 18 VAL HG11 H 1 0.958 0.014 . 2 . 2.0 . . A 404 VAL HG11 . 36731 1 186 . 1 . 1 18 18 VAL HG11 H 1 0.979 0.008 . . . 8.0 . . A 404 VAL HG11 . 36731 1 187 . 1 . 1 18 18 VAL HG12 H 1 0.958 0.014 . 2 . 2.0 . . A 404 VAL HG12 . 36731 1 188 . 1 . 1 18 18 VAL HG12 H 1 0.979 0.008 . . . 8.0 . . A 404 VAL HG12 . 36731 1 189 . 1 . 1 18 18 VAL HG13 H 1 0.958 0.014 . 2 . 2.0 . . A 404 VAL HG13 . 36731 1 190 . 1 . 1 18 18 VAL HG13 H 1 0.979 0.008 . . . 8.0 . . A 404 VAL HG13 . 36731 1 191 . 1 . 1 18 18 VAL HG21 H 1 0.958 0.014 . 2 . 2.0 . . A 404 VAL HG21 . 36731 1 192 . 1 . 1 18 18 VAL HG21 H 1 0.93 0 . . . 1.0 . . A 404 VAL HG21 . 36731 1 193 . 1 . 1 18 18 VAL HG22 H 1 0.958 0.014 . 2 . 2.0 . . A 404 VAL HG22 . 36731 1 194 . 1 . 1 18 18 VAL HG22 H 1 0.93 0 . . . 1.0 . . A 404 VAL HG22 . 36731 1 195 . 1 . 1 18 18 VAL HG23 H 1 0.958 0.014 . 2 . 2.0 . . A 404 VAL HG23 . 36731 1 196 . 1 . 1 18 18 VAL HG23 H 1 0.93 0 . . . 1.0 . . A 404 VAL HG23 . 36731 1 197 . 1 . 1 18 18 VAL CA C 13 62.519 0.058 . 1 . 7.0 . . A 404 VAL CA . 36731 1 198 . 1 . 1 18 18 VAL CB C 13 32.625 0.107 . 1 . 6.0 . . A 404 VAL CB . 36731 1 199 . 1 . 1 18 18 VAL CG1 C 13 20.75 0.052 . 2 . 6.0 . . A 404 VAL CG1 . 36731 1 200 . 1 . 1 18 18 VAL CG2 C 13 20.75 0.052 . 2 . 6.0 . . A 404 VAL CG2 . 36731 1 201 . 1 . 1 18 18 VAL N N 15 120.928 0.029 . 1 . 9.0 . . A 404 VAL N . 36731 1 202 . 1 . 1 19 19 THR H H 1 8.425 0.003 . 1 . 12.0 . . A 405 THR H . 36731 1 203 . 1 . 1 19 19 THR HA H 1 4.429 0.009 . 1 . 4.0 . . A 405 THR HA . 36731 1 204 . 1 . 1 19 19 THR HB H 1 4.158 0.001 . 1 . 5.0 . . A 405 THR HB . 36731 1 205 . 1 . 1 19 19 THR HG21 H 1 1.209 0.011 . 1 . 6.0 . . A 405 THR HG21 . 36731 1 206 . 1 . 1 19 19 THR HG22 H 1 1.209 0.011 . 1 . 6.0 . . A 405 THR HG22 . 36731 1 207 . 1 . 1 19 19 THR HG23 H 1 1.209 0.011 . 1 . 6.0 . . A 405 THR HG23 . 36731 1 208 . 1 . 1 19 19 THR CA C 13 61.78 0.077 . 1 . 4.0 . . A 405 THR CA . 36731 1 209 . 1 . 1 19 19 THR CB C 13 69.789 0.066 . 1 . 5.0 . . A 405 THR CB . 36731 1 210 . 1 . 1 19 19 THR CG2 C 13 21.616 0.001 . 1 . 2.0 . . A 405 THR CG2 . 36731 1 211 . 1 . 1 19 19 THR N N 15 118.392 0.024 . 1 . 11.0 . . A 405 THR N . 36731 1 212 . 1 . 1 20 20 THR H H 1 8.266 0.001 . 1 . 12.0 . . A 406 THR H . 36731 1 213 . 1 . 1 20 20 THR HA H 1 4.433 0.008 . 1 . 4.0 . . A 406 THR HA . 36731 1 214 . 1 . 1 20 20 THR HB H 1 4.231 0.002 . 1 . 8.0 . . A 406 THR HB . 36731 1 215 . 1 . 1 20 20 THR HG21 H 1 1.211 0.01 . 1 . 6.0 . . A 406 THR HG21 . 36731 1 216 . 1 . 1 20 20 THR HG22 H 1 1.211 0.01 . 1 . 6.0 . . A 406 THR HG22 . 36731 1 217 . 1 . 1 20 20 THR HG23 H 1 1.211 0.01 . 1 . 6.0 . . A 406 THR HG23 . 36731 1 218 . 1 . 1 20 20 THR CA C 13 61.841 0.081 . 1 . 4.0 . . A 406 THR CA . 36731 1 219 . 1 . 1 20 20 THR CB C 13 69.853 0.065 . 1 . 6.0 . . A 406 THR CB . 36731 1 220 . 1 . 1 20 20 THR CG2 C 13 21.616 0.001 . 1 . 2.0 . . A 406 THR CG2 . 36731 1 221 . 1 . 1 20 20 THR N N 15 116.976 0.035 . 1 . 11.0 . . A 406 THR N . 36731 1 222 . 1 . 1 21 21 ARG H H 1 8.481 0.002 . 1 . 9.0 . . A 407 ARG H . 36731 1 223 . 1 . 1 21 21 ARG HA H 1 4.566 0.001 . 1 . 2.0 . . A 407 ARG HA . 36731 1 224 . 1 . 1 21 21 ARG HB2 H 1 1.849 0 . 2 . 1.0 . . A 407 ARG HB2 . 36731 1 225 . 1 . 1 21 21 ARG HB2 H 1 2.046 0.001 . . . 3.0 . . A 407 ARG HB2 . 36731 1 226 . 1 . 1 21 21 ARG HB3 H 1 1.849 0 . 2 . 1.0 . . A 407 ARG HB3 . 36731 1 227 . 1 . 1 21 21 ARG HG2 H 1 1.633 0.004 . 2 . 3.0 . . A 407 ARG HG2 . 36731 1 228 . 1 . 1 21 21 ARG HG3 H 1 1.633 0.004 . 2 . 3.0 . . A 407 ARG HG3 . 36731 1 229 . 1 . 1 21 21 ARG HD2 H 1 3.185 0 . 2 . 3.0 . . A 407 ARG HD2 . 36731 1 230 . 1 . 1 21 21 ARG HD3 H 1 3.185 0 . 2 . 3.0 . . A 407 ARG HD3 . 36731 1 231 . 1 . 1 21 21 ARG CA C 13 56.209 0.032 . 1 . 2.0 . . A 407 ARG CA . 36731 1 232 . 1 . 1 21 21 ARG CB C 13 30.244 0 . 1 . 2.0 . . A 407 ARG CB . 36731 1 233 . 1 . 1 21 21 ARG CG C 13 27.128 0.001 . 1 . 2.0 . . A 407 ARG CG . 36731 1 234 . 1 . 1 21 21 ARG CD C 13 43.381 0.01 . 1 . 2.0 . . A 407 ARG CD . 36731 1 235 . 1 . 1 21 21 ARG N N 15 123.632 0.095 . 1 . 8.0 . . A 407 ARG N . 36731 1 236 . 1 . 1 22 22 GLN H H 1 8.58 0 . 1 . 0.0 . . A 408 GLN H . 36731 1 237 . 1 . 1 22 22 GLN HA H 1 4.406 0.004 . 1 . 5.0 . . A 408 GLN HA . 36731 1 238 . 1 . 1 22 22 GLN HB2 H 1 2.09 0.006 . 2 . 6.0 . . A 408 GLN HB2 . 36731 1 239 . 1 . 1 22 22 GLN HB3 H 1 2.09 0.006 . 2 . 6.0 . . A 408 GLN HB3 . 36731 1 240 . 1 . 1 22 22 GLN HG2 H 1 2.348 0.006 . 2 . 4.0 . . A 408 GLN HG2 . 36731 1 241 . 1 . 1 22 22 GLN HG3 H 1 2.348 0.006 . 2 . 4.0 . . A 408 GLN HG3 . 36731 1 242 . 1 . 1 22 22 GLN CA C 13 55.758 0.041 . 1 . 5.0 . . A 408 GLN CA . 36731 1 243 . 1 . 1 22 22 GLN CB C 13 29.688 0.061 . 1 . 5.0 . . A 408 GLN CB . 36731 1 244 . 1 . 1 22 22 GLN CG C 13 33.727 0.003 . 1 . 2.0 . . A 408 GLN CG . 36731 1 245 . 1 . 1 23 23 VAL H H 1 8.428 0 . 1 . 6.0 . . A 409 VAL H . 36731 1 246 . 1 . 1 23 23 VAL HA H 1 4.085 0.003 . 1 . 2.0 . . A 409 VAL HA . 36731 1 247 . 1 . 1 23 23 VAL HB H 1 2.022 0 . 1 . 1.0 . . A 409 VAL HB . 36731 1 248 . 1 . 1 23 23 VAL HG11 H 1 0.916 0 . 2 . 0.0 . . A 409 VAL HG11 . 36731 1 249 . 1 . 1 23 23 VAL HG11 H 1 0.933 0 . . . 1.0 . . A 409 VAL HG11 . 36731 1 250 . 1 . 1 23 23 VAL HG12 H 1 0.916 0 . 2 . 0.0 . . A 409 VAL HG12 . 36731 1 251 . 1 . 1 23 23 VAL HG12 H 1 0.933 0 . . . 1.0 . . A 409 VAL HG12 . 36731 1 252 . 1 . 1 23 23 VAL HG13 H 1 0.916 0 . 2 . 0.0 . . A 409 VAL HG13 . 36731 1 253 . 1 . 1 23 23 VAL HG13 H 1 0.933 0 . . . 1.0 . . A 409 VAL HG13 . 36731 1 254 . 1 . 1 23 23 VAL HG21 H 1 0.916 0 . 2 . 0.0 . . A 409 VAL HG21 . 36731 1 255 . 1 . 1 23 23 VAL HG21 H 1 0.907 0.005 . . . 2.0 . . A 409 VAL HG21 . 36731 1 256 . 1 . 1 23 23 VAL HG22 H 1 0.916 0 . 2 . 0.0 . . A 409 VAL HG22 . 36731 1 257 . 1 . 1 23 23 VAL HG22 H 1 0.907 0.005 . . . 2.0 . . A 409 VAL HG22 . 36731 1 258 . 1 . 1 23 23 VAL HG23 H 1 0.916 0 . 2 . 0.0 . . A 409 VAL HG23 . 36731 1 259 . 1 . 1 23 23 VAL HG23 H 1 0.907 0.005 . . . 2.0 . . A 409 VAL HG23 . 36731 1 260 . 1 . 1 23 23 VAL CA C 13 62.426 0.061 . 1 . 3.0 . . A 409 VAL CA . 36731 1 261 . 1 . 1 23 23 VAL CB C 13 32.764 0.029 . 1 . 3.0 . . A 409 VAL CB . 36731 1 262 . 1 . 1 23 23 VAL CG1 C 13 21.148 0.017 . 2 . 2.0 . . A 409 VAL CG1 . 36731 1 263 . 1 . 1 23 23 VAL CG2 C 13 21.148 0.017 . 2 . 2.0 . . A 409 VAL CG2 . 36731 1 264 . 1 . 1 23 23 VAL N N 15 122.835 0.008 . 1 . 6.0 . . A 409 VAL N . 36731 1 265 . 1 . 1 24 24 ARG H H 1 8.59 0.001 . 1 . 11.0 . . A 410 ARG H . 36731 1 266 . 1 . 1 24 24 ARG HA H 1 4.444 0.012 . 1 . 7.0 . . A 410 ARG HA . 36731 1 267 . 1 . 1 24 24 ARG HB2 H 1 1.796 0.004 . 2 . 2.0 . . A 410 ARG HB2 . 36731 1 268 . 1 . 1 24 24 ARG HB2 H 1 1.831 0.002 . . . 4.0 . . A 410 ARG HB2 . 36731 1 269 . 1 . 1 24 24 ARG HB3 H 1 1.796 0.004 . 2 . 2.0 . . A 410 ARG HB3 . 36731 1 270 . 1 . 1 24 24 ARG HB3 H 1 1.756 0.001 . . . 4.0 . . A 410 ARG HB3 . 36731 1 271 . 1 . 1 24 24 ARG HG2 H 1 1.631 0.006 . 2 . 5.0 . . A 410 ARG HG2 . 36731 1 272 . 1 . 1 24 24 ARG HG3 H 1 1.631 0.006 . 2 . 5.0 . . A 410 ARG HG3 . 36731 1 273 . 1 . 1 24 24 ARG HD2 H 1 3.185 0.008 . 2 . 7.0 . . A 410 ARG HD2 . 36731 1 274 . 1 . 1 24 24 ARG HD3 H 1 3.185 0.008 . 2 . 7.0 . . A 410 ARG HD3 . 36731 1 275 . 1 . 1 24 24 ARG CA C 13 55.929 0.025 . 1 . 6.0 . . A 410 ARG CA . 36731 1 276 . 1 . 1 24 24 ARG CB C 13 30.951 0.084 . 1 . 8.0 . . A 410 ARG CB . 36731 1 277 . 1 . 1 24 24 ARG CG C 13 27.125 0.005 . 1 . 3.0 . . A 410 ARG CG . 36731 1 278 . 1 . 1 24 24 ARG CD C 13 43.367 0.021 . 1 . 3.0 . . A 410 ARG CD . 36731 1 279 . 1 . 1 24 24 ARG N N 15 125.496 0.016 . 1 . 10.0 . . A 410 ARG N . 36731 1 280 . 1 . 1 25 25 THR H H 1 8.461 0.002 . 1 . 11.0 . . A 411 THR H . 36731 1 281 . 1 . 1 25 25 THR HA H 1 4.365 0.003 . 1 . 3.0 . . A 411 THR HA . 36731 1 282 . 1 . 1 25 25 THR HB H 1 4.135 0.004 . 1 . 4.0 . . A 411 THR HB . 36731 1 283 . 1 . 1 25 25 THR HG21 H 1 1.175 0.001 . 1 . 4.0 . . A 411 THR HG21 . 36731 1 284 . 1 . 1 25 25 THR HG22 H 1 1.175 0.001 . 1 . 4.0 . . A 411 THR HG22 . 36731 1 285 . 1 . 1 25 25 THR HG23 H 1 1.175 0.001 . 1 . 4.0 . . A 411 THR HG23 . 36731 1 286 . 1 . 1 25 25 THR CA C 13 62.04 0.037 . 1 . 4.0 . . A 411 THR CA . 36731 1 287 . 1 . 1 25 25 THR CB C 13 69.835 0.046 . 1 . 4.0 . . A 411 THR CB . 36731 1 288 . 1 . 1 25 25 THR CG2 C 13 21.634 0 . 1 . 2.0 . . A 411 THR CG2 . 36731 1 289 . 1 . 1 25 25 THR N N 15 117.447 0.012 . 1 . 9.0 . . A 411 THR N . 36731 1 290 . 1 . 1 26 26 ILE H H 1 8.385 0.001 . 1 . 12.0 . . A 412 ILE H . 36731 1 291 . 1 . 1 26 26 ILE HA H 1 4.191 0.003 . 1 . 9.0 . . A 412 ILE HA . 36731 1 292 . 1 . 1 26 26 ILE HB H 1 1.851 0.01 . 1 . 10.0 . . A 412 ILE HB . 36731 1 293 . 1 . 1 26 26 ILE HG12 H 1 1.473 0.005 . . . 10.0 . . A 412 ILE HG12 . 36731 1 294 . 1 . 1 26 26 ILE HG13 H 1 1.178 0.005 . . . 9.0 . . A 412 ILE HG13 . 36731 1 295 . 1 . 1 26 26 ILE HG21 H 1 0.888 0.016 . 1 . 9.0 . . A 412 ILE HG21 . 36731 1 296 . 1 . 1 26 26 ILE HG22 H 1 0.888 0.016 . 1 . 9.0 . . A 412 ILE HG22 . 36731 1 297 . 1 . 1 26 26 ILE HG23 H 1 0.888 0.016 . 1 . 9.0 . . A 412 ILE HG23 . 36731 1 298 . 1 . 1 26 26 ILE HD11 H 1 0.838 0.003 . 1 . 6.0 . . A 412 ILE HD11 . 36731 1 299 . 1 . 1 26 26 ILE HD12 H 1 0.838 0.003 . 1 . 6.0 . . A 412 ILE HD12 . 36731 1 300 . 1 . 1 26 26 ILE HD13 H 1 0.838 0.003 . 1 . 6.0 . . A 412 ILE HD13 . 36731 1 301 . 1 . 1 26 26 ILE CA C 13 61.154 0.067 . 1 . 7.0 . . A 412 ILE CA . 36731 1 302 . 1 . 1 26 26 ILE CB C 13 38.628 0.05 . 1 . 6.0 . . A 412 ILE CB . 36731 1 303 . 1 . 1 26 26 ILE CG1 C 13 27.334 0.056 . 1 . 9.0 . . A 412 ILE CG1 . 36731 1 304 . 1 . 1 26 26 ILE CG2 C 13 17.541 0.038 . 1 . 4.0 . . A 412 ILE CG2 . 36731 1 305 . 1 . 1 26 26 ILE CD1 C 13 12.788 0.028 . 1 . 5.0 . . A 412 ILE CD1 . 36731 1 306 . 1 . 1 26 26 ILE N N 15 124.199 0.014 . 1 . 11.0 . . A 412 ILE N . 36731 1 307 . 1 . 1 27 27 VAL H H 1 8.351 0.003 . 1 . 13.0 . . A 413 VAL H . 36731 1 308 . 1 . 1 27 27 VAL HA H 1 4.086 0.008 . 1 . 11.0 . . A 413 VAL HA . 36731 1 309 . 1 . 1 27 27 VAL HB H 1 2.019 0.005 . 1 . 10.0 . . A 413 VAL HB . 36731 1 310 . 1 . 1 27 27 VAL HG11 H 1 0.911 0.007 . 2 . 3.0 . . A 413 VAL HG11 . 36731 1 311 . 1 . 1 27 27 VAL HG11 H 1 0.936 0.003 . . . 5.0 . . A 413 VAL HG11 . 36731 1 312 . 1 . 1 27 27 VAL HG12 H 1 0.911 0.007 . 2 . 3.0 . . A 413 VAL HG12 . 36731 1 313 . 1 . 1 27 27 VAL HG12 H 1 0.936 0.003 . . . 5.0 . . A 413 VAL HG12 . 36731 1 314 . 1 . 1 27 27 VAL HG13 H 1 0.911 0.007 . 2 . 3.0 . . A 413 VAL HG13 . 36731 1 315 . 1 . 1 27 27 VAL HG13 H 1 0.936 0.003 . . . 5.0 . . A 413 VAL HG13 . 36731 1 316 . 1 . 1 27 27 VAL HG21 H 1 0.911 0.007 . 2 . 3.0 . . A 413 VAL HG21 . 36731 1 317 . 1 . 1 27 27 VAL HG21 H 1 0.905 0.007 . . . 7.0 . . A 413 VAL HG21 . 36731 1 318 . 1 . 1 27 27 VAL HG22 H 1 0.911 0.007 . 2 . 3.0 . . A 413 VAL HG22 . 36731 1 319 . 1 . 1 27 27 VAL HG22 H 1 0.905 0.007 . . . 7.0 . . A 413 VAL HG22 . 36731 1 320 . 1 . 1 27 27 VAL HG23 H 1 0.911 0.007 . 2 . 3.0 . . A 413 VAL HG23 . 36731 1 321 . 1 . 1 27 27 VAL HG23 H 1 0.905 0.007 . . . 7.0 . . A 413 VAL HG23 . 36731 1 322 . 1 . 1 27 27 VAL CA C 13 62.47 0.059 . 1 . 8.0 . . A 413 VAL CA . 36731 1 323 . 1 . 1 27 27 VAL CB C 13 32.707 0.042 . 1 . 7.0 . . A 413 VAL CB . 36731 1 324 . 1 . 1 27 27 VAL CG1 C 13 21.041 0.09 . 2 . 8.0 . . A 413 VAL CG1 . 36731 1 325 . 1 . 1 27 27 VAL CG2 C 13 21.041 0.09 . 2 . 8.0 . . A 413 VAL CG2 . 36731 1 326 . 1 . 1 27 27 VAL N N 15 125.189 0.015 . 1 . 10.0 . . A 413 VAL N . 36731 1 327 . 1 . 1 28 28 GLU H H 1 8.539 0.006 . 1 . 15.0 . . A 414 GLU H . 36731 1 328 . 1 . 1 28 28 GLU HA H 1 4.287 0.009 . 1 . 8.0 . . A 414 GLU HA . 36731 1 329 . 1 . 1 28 28 GLU HB2 H 1 1.929 0.007 . 2 . 5.0 . . A 414 GLU HB2 . 36731 1 330 . 1 . 1 28 28 GLU HB3 H 1 1.929 0.007 . 2 . 5.0 . . A 414 GLU HB3 . 36731 1 331 . 1 . 1 28 28 GLU HG2 H 1 2.246 0.01 . 2 . 7.0 . . A 414 GLU HG2 . 36731 1 332 . 1 . 1 28 28 GLU HG3 H 1 2.246 0.01 . 2 . 7.0 . . A 414 GLU HG3 . 36731 1 333 . 1 . 1 28 28 GLU CA C 13 56.465 0.027 . 1 . 5.0 . . A 414 GLU CA . 36731 1 334 . 1 . 1 28 28 GLU CB C 13 30.394 0.121 . 1 . 6.0 . . A 414 GLU CB . 36731 1 335 . 1 . 1 28 28 GLU CG C 13 36.303 0.012 . 1 . 4.0 . . A 414 GLU CG . 36731 1 336 . 1 . 1 28 28 GLU N N 15 125.294 0.027 . 1 . 12.0 . . A 414 GLU N . 36731 1 337 . 1 . 1 29 29 GLU H H 1 8.564 0.002 . 1 . 11.0 . . A 415 GLU H . 36731 1 338 . 1 . 1 29 29 GLU HA H 1 4.293 0.01 . 1 . 5.0 . . A 415 GLU HA . 36731 1 339 . 1 . 1 29 29 GLU HB2 H 1 1.957 0.002 . 2 . 3.0 . . A 415 GLU HB2 . 36731 1 340 . 1 . 1 29 29 GLU HB3 H 1 1.957 0.002 . 2 . 3.0 . . A 415 GLU HB3 . 36731 1 341 . 1 . 1 29 29 GLU HG2 H 1 2.251 0.003 . 2 . 5.0 . . A 415 GLU HG2 . 36731 1 342 . 1 . 1 29 29 GLU HG3 H 1 2.251 0.003 . 2 . 5.0 . . A 415 GLU HG3 . 36731 1 343 . 1 . 1 29 29 GLU CA C 13 56.495 0.026 . 1 . 4.0 . . A 415 GLU CA . 36731 1 344 . 1 . 1 29 29 GLU CB C 13 30.43 0.132 . 1 . 3.0 . . A 415 GLU CB . 36731 1 345 . 1 . 1 29 29 GLU CG C 13 36.306 0.013 . 1 . 3.0 . . A 415 GLU CG . 36731 1 346 . 1 . 1 29 29 GLU N N 15 122.918 0.037 . 1 . 9.0 . . A 415 GLU N . 36731 1 347 . 1 . 1 30 30 VAL H H 1 8.435 0.001 . 1 . 11.0 . . A 416 VAL H . 36731 1 348 . 1 . 1 30 30 VAL HA H 1 4.093 0.017 . 1 . 9.0 . . A 416 VAL HA . 36731 1 349 . 1 . 1 30 30 VAL HB H 1 2.018 0.004 . 1 . 9.0 . . A 416 VAL HB . 36731 1 350 . 1 . 1 30 30 VAL HG11 H 1 0.911 0.006 . 2 . 4.0 . . A 416 VAL HG11 . 36731 1 351 . 1 . 1 30 30 VAL HG11 H 1 0.935 0.007 . . . 7.0 . . A 416 VAL HG11 . 36731 1 352 . 1 . 1 30 30 VAL HG12 H 1 0.911 0.006 . 2 . 4.0 . . A 416 VAL HG12 . 36731 1 353 . 1 . 1 30 30 VAL HG12 H 1 0.935 0.007 . . . 7.0 . . A 416 VAL HG12 . 36731 1 354 . 1 . 1 30 30 VAL HG13 H 1 0.911 0.006 . 2 . 4.0 . . A 416 VAL HG13 . 36731 1 355 . 1 . 1 30 30 VAL HG13 H 1 0.935 0.007 . . . 7.0 . . A 416 VAL HG13 . 36731 1 356 . 1 . 1 30 30 VAL HG21 H 1 0.911 0.006 . 2 . 4.0 . . A 416 VAL HG21 . 36731 1 357 . 1 . 1 30 30 VAL HG21 H 1 0.903 0.004 . . . 5.0 . . A 416 VAL HG21 . 36731 1 358 . 1 . 1 30 30 VAL HG22 H 1 0.911 0.006 . 2 . 4.0 . . A 416 VAL HG22 . 36731 1 359 . 1 . 1 30 30 VAL HG22 H 1 0.903 0.004 . . . 5.0 . . A 416 VAL HG22 . 36731 1 360 . 1 . 1 30 30 VAL HG23 H 1 0.911 0.006 . 2 . 4.0 . . A 416 VAL HG23 . 36731 1 361 . 1 . 1 30 30 VAL HG23 H 1 0.903 0.004 . . . 5.0 . . A 416 VAL HG23 . 36731 1 362 . 1 . 1 30 30 VAL CA C 13 62.461 0.058 . 1 . 7.0 . . A 416 VAL CA . 36731 1 363 . 1 . 1 30 30 VAL CB C 13 32.753 0.063 . 1 . 7.0 . . A 416 VAL CB . 36731 1 364 . 1 . 1 30 30 VAL CG1 C 13 21.044 0.082 . 2 . 10.0 . . A 416 VAL CG1 . 36731 1 365 . 1 . 1 30 30 VAL CG2 C 13 21.044 0.082 . 2 . 10.0 . . A 416 VAL CG2 . 36731 1 366 . 1 . 1 30 30 VAL N N 15 122.435 0.073 . 1 . 9.0 . . A 416 VAL N . 36731 1 367 . 1 . 1 31 31 GLN H H 1 8.695 0.001 . 1 . 14.0 . . A 417 GLN H . 36731 1 368 . 1 . 1 31 31 GLN HA H 1 4.378 0.005 . 1 . 7.0 . . A 417 GLN HA . 36731 1 369 . 1 . 1 31 31 GLN HB2 H 1 2.008 0.014 . 2 . 4.0 . . A 417 GLN HB2 . 36731 1 370 . 1 . 1 31 31 GLN HB3 H 1 2.008 0.014 . 2 . 4.0 . . A 417 GLN HB3 . 36731 1 371 . 1 . 1 31 31 GLN HG2 H 1 2.35 0.007 . 2 . 7.0 . . A 417 GLN HG2 . 36731 1 372 . 1 . 1 31 31 GLN HG3 H 1 2.35 0.007 . 2 . 7.0 . . A 417 GLN HG3 . 36731 1 373 . 1 . 1 31 31 GLN CA C 13 55.662 0.045 . 1 . 6.0 . . A 417 GLN CA . 36731 1 374 . 1 . 1 31 31 GLN CB C 13 29.589 0.083 . 1 . 3.0 . . A 417 GLN CB . 36731 1 375 . 1 . 1 31 31 GLN CG C 13 33.73 0.005 . 1 . 4.0 . . A 417 GLN CG . 36731 1 376 . 1 . 1 31 31 GLN N N 15 124.785 0.022 . 1 . 13.0 . . A 417 GLN N . 36731 1 377 . 1 . 1 32 32 ASP H H 1 8.616 0.002 . 1 . 11.0 . . A 418 ASP H . 36731 1 378 . 1 . 1 32 32 ASP HA H 1 4.517 0.005 . 1 . 5.0 . . A 418 ASP HA . 36731 1 379 . 1 . 1 32 32 ASP HB2 H 1 2.698 0.008 . 2 . 6.0 . . A 418 ASP HB2 . 36731 1 380 . 1 . 1 32 32 ASP HB3 H 1 2.698 0.008 . 2 . 6.0 . . A 418 ASP HB3 . 36731 1 381 . 1 . 1 32 32 ASP CA C 13 54.74 0.087 . 1 . 5.0 . . A 418 ASP CA . 36731 1 382 . 1 . 1 32 32 ASP CB C 13 40.977 0.098 . 1 . 6.0 . . A 418 ASP CB . 36731 1 383 . 1 . 1 32 32 ASP N N 15 122.622 0.035 . 1 . 9.0 . . A 418 ASP N . 36731 1 384 . 1 . 1 33 33 GLY H H 1 8.511 0.002 . 1 . 12.0 . . A 419 GLY H . 36731 1 385 . 1 . 1 33 33 GLY HA2 H 1 3.905 0.001 . 2 . 2.0 . . A 419 GLY HA2 . 36731 1 386 . 1 . 1 33 33 GLY HA2 H 1 3.95 0.004 . . . 4.0 . . A 419 GLY HA2 . 36731 1 387 . 1 . 1 33 33 GLY HA3 H 1 3.905 0.001 . 2 . 2.0 . . A 419 GLY HA3 . 36731 1 388 . 1 . 1 33 33 GLY HA3 H 1 3.87 0.008 . . . 4.0 . . A 419 GLY HA3 . 36731 1 389 . 1 . 1 33 33 GLY CA C 13 45.642 0.056 . 1 . 9.0 . . A 419 GLY CA . 36731 1 390 . 1 . 1 33 33 GLY N N 15 108.717 0.014 . 1 . 9.0 . . A 419 GLY N . 36731 1 391 . 1 . 1 34 34 LYS H H 1 8.115 0.001 . 1 . 12.0 . . A 420 LYS H . 36731 1 392 . 1 . 1 34 34 LYS HA H 1 4.337 0.005 . 1 . 7.0 . . A 420 LYS HA . 36731 1 393 . 1 . 1 34 34 LYS HB2 H 1 1.789 0.001 . 2 . 2.0 . . A 420 LYS HB2 . 36731 1 394 . 1 . 1 34 34 LYS HB2 H 1 1.796 0.004 . . . 5.0 . . A 420 LYS HB2 . 36731 1 395 . 1 . 1 34 34 LYS HB3 H 1 1.789 0.001 . 2 . 2.0 . . A 420 LYS HB3 . 36731 1 396 . 1 . 1 34 34 LYS HB3 H 1 1.745 0.003 . . . 4.0 . . A 420 LYS HB3 . 36731 1 397 . 1 . 1 34 34 LYS HG2 H 1 1.394 0.004 . 2 . 3.0 . . A 420 LYS HG2 . 36731 1 398 . 1 . 1 34 34 LYS HG2 H 1 1.42 0.004 . . . 6.0 . . A 420 LYS HG2 . 36731 1 399 . 1 . 1 34 34 LYS HG3 H 1 1.394 0.004 . 2 . 3.0 . . A 420 LYS HG3 . 36731 1 400 . 1 . 1 34 34 LYS HG3 H 1 1.366 0.006 . . . 4.0 . . A 420 LYS HG3 . 36731 1 401 . 1 . 1 34 34 LYS HD2 H 1 1.663 0.006 . 2 . 5.0 . . A 420 LYS HD2 . 36731 1 402 . 1 . 1 34 34 LYS HD3 H 1 1.663 0.006 . 2 . 5.0 . . A 420 LYS HD3 . 36731 1 403 . 1 . 1 34 34 LYS HE2 H 1 2.977 0.003 . 2 . 3.0 . . A 420 LYS HE2 . 36731 1 404 . 1 . 1 34 34 LYS HE3 H 1 2.977 0.003 . 2 . 3.0 . . A 420 LYS HE3 . 36731 1 405 . 1 . 1 34 34 LYS CA C 13 56.244 0.064 . 1 . 7.0 . . A 420 LYS CA . 36731 1 406 . 1 . 1 34 34 LYS CB C 13 33.059 0.041 . 1 . 8.0 . . A 420 LYS CB . 36731 1 407 . 1 . 1 34 34 LYS CG C 13 24.761 0.089 . 1 . 5.0 . . A 420 LYS CG . 36731 1 408 . 1 . 1 34 34 LYS CD C 13 29.149 0.047 . 1 . 3.0 . . A 420 LYS CD . 36731 1 409 . 1 . 1 34 34 LYS CE C 13 42.136 0.008 . 1 . 2.0 . . A 420 LYS CE . 36731 1 410 . 1 . 1 34 34 LYS N N 15 120.651 0.023 . 1 . 11.0 . . A 420 LYS N . 36731 1 411 . 1 . 1 35 35 VAL H H 1 8.286 0.001 . 1 . 15.0 . . A 421 VAL H . 36731 1 412 . 1 . 1 35 35 VAL HA H 1 4.088 0.008 . 1 . 10.0 . . A 421 VAL HA . 36731 1 413 . 1 . 1 35 35 VAL HB H 1 2.02 0.003 . 1 . 9.0 . . A 421 VAL HB . 36731 1 414 . 1 . 1 35 35 VAL HG11 H 1 0.916 0 . 2 . 2.0 . . A 421 VAL HG11 . 36731 1 415 . 1 . 1 35 35 VAL HG11 H 1 0.935 0.004 . . . 6.0 . . A 421 VAL HG11 . 36731 1 416 . 1 . 1 35 35 VAL HG12 H 1 0.916 0 . 2 . 2.0 . . A 421 VAL HG12 . 36731 1 417 . 1 . 1 35 35 VAL HG12 H 1 0.935 0.004 . . . 6.0 . . A 421 VAL HG12 . 36731 1 418 . 1 . 1 35 35 VAL HG13 H 1 0.916 0 . 2 . 2.0 . . A 421 VAL HG13 . 36731 1 419 . 1 . 1 35 35 VAL HG13 H 1 0.935 0.004 . . . 6.0 . . A 421 VAL HG13 . 36731 1 420 . 1 . 1 35 35 VAL HG21 H 1 0.916 0 . 2 . 2.0 . . A 421 VAL HG21 . 36731 1 421 . 1 . 1 35 35 VAL HG21 H 1 0.901 0.005 . . . 6.0 . . A 421 VAL HG21 . 36731 1 422 . 1 . 1 35 35 VAL HG22 H 1 0.916 0 . 2 . 2.0 . . A 421 VAL HG22 . 36731 1 423 . 1 . 1 35 35 VAL HG22 H 1 0.901 0.005 . . . 6.0 . . A 421 VAL HG22 . 36731 1 424 . 1 . 1 35 35 VAL HG23 H 1 0.916 0 . 2 . 2.0 . . A 421 VAL HG23 . 36731 1 425 . 1 . 1 35 35 VAL HG23 H 1 0.901 0.005 . . . 6.0 . . A 421 VAL HG23 . 36731 1 426 . 1 . 1 35 35 VAL CA C 13 62.552 0.076 . 1 . 6.0 . . A 421 VAL CA . 36731 1 427 . 1 . 1 35 35 VAL CB C 13 32.671 0.074 . 1 . 6.0 . . A 421 VAL CB . 36731 1 428 . 1 . 1 35 35 VAL CG1 C 13 21.041 0.09 . 2 . 8.0 . . A 421 VAL CG1 . 36731 1 429 . 1 . 1 35 35 VAL CG2 C 13 21.041 0.09 . 2 . 8.0 . . A 421 VAL CG2 . 36731 1 430 . 1 . 1 35 35 VAL N N 15 122.106 0.031 . 1 . 14.0 . . A 421 VAL N . 36731 1 431 . 1 . 1 36 36 ILE H H 1 8.501 0.002 . 1 . 14.0 . . A 422 ILE H . 36731 1 432 . 1 . 1 36 36 ILE HA H 1 4.194 0.004 . 1 . 10.0 . . A 422 ILE HA . 36731 1 433 . 1 . 1 36 36 ILE HB H 1 1.867 0.009 . 1 . 11.0 . . A 422 ILE HB . 36731 1 434 . 1 . 1 36 36 ILE HG12 H 1 1.472 0.005 . . . 11.0 . . A 422 ILE HG12 . 36731 1 435 . 1 . 1 36 36 ILE HG13 H 1 1.18 0.006 . . . 10.0 . . A 422 ILE HG13 . 36731 1 436 . 1 . 1 36 36 ILE HG21 H 1 0.876 0.01 . 1 . 12.0 . . A 422 ILE HG21 . 36731 1 437 . 1 . 1 36 36 ILE HG22 H 1 0.876 0.01 . 1 . 12.0 . . A 422 ILE HG22 . 36731 1 438 . 1 . 1 36 36 ILE HG23 H 1 0.876 0.01 . 1 . 12.0 . . A 422 ILE HG23 . 36731 1 439 . 1 . 1 36 36 ILE HD11 H 1 0.838 0.003 . 1 . 6.0 . . A 422 ILE HD11 . 36731 1 440 . 1 . 1 36 36 ILE HD12 H 1 0.838 0.003 . 1 . 6.0 . . A 422 ILE HD12 . 36731 1 441 . 1 . 1 36 36 ILE HD13 H 1 0.838 0.003 . 1 . 6.0 . . A 422 ILE HD13 . 36731 1 442 . 1 . 1 36 36 ILE CA C 13 61.097 0.089 . 1 . 8.0 . . A 422 ILE CA . 36731 1 443 . 1 . 1 36 36 ILE CB C 13 38.569 0.101 . 1 . 7.0 . . A 422 ILE CB . 36731 1 444 . 1 . 1 36 36 ILE CG1 C 13 27.313 0.082 . 1 . 10.0 . . A 422 ILE CG1 . 36731 1 445 . 1 . 1 36 36 ILE CG2 C 13 17.582 0.095 . 1 . 5.0 . . A 422 ILE CG2 . 36731 1 446 . 1 . 1 36 36 ILE CD1 C 13 12.788 0.028 . 1 . 5.0 . . A 422 ILE CD1 . 36731 1 447 . 1 . 1 36 36 ILE N N 15 125.998 0.017 . 1 . 11.0 . . A 422 ILE N . 36731 1 448 . 1 . 1 37 37 SER H H 1 8.528 0.006 . 1 . 12.0 . . A 423 SER H . 36731 1 449 . 1 . 1 37 37 SER HA H 1 4.493 0.007 . 1 . 8.0 . . A 423 SER HA . 36731 1 450 . 1 . 1 37 37 SER HB2 H 1 3.878 0.004 . 2 . 2.0 . . A 423 SER HB2 . 36731 1 451 . 1 . 1 37 37 SER HB2 H 1 3.925 0.007 . . . 4.0 . . A 423 SER HB2 . 36731 1 452 . 1 . 1 37 37 SER HB3 H 1 3.878 0.004 . 2 . 2.0 . . A 423 SER HB3 . 36731 1 453 . 1 . 1 37 37 SER HB3 H 1 3.89 0.004 . . . 3.0 . . A 423 SER HB3 . 36731 1 454 . 1 . 1 37 37 SER CA C 13 58.352 0.037 . 1 . 6.0 . . A 423 SER CA . 36731 1 455 . 1 . 1 37 37 SER CB C 13 63.926 0.041 . 1 . 7.0 . . A 423 SER CB . 36731 1 456 . 1 . 1 37 37 SER N N 15 120.214 0.017 . 1 . 10.0 . . A 423 SER N . 36731 1 457 . 1 . 1 38 38 SER H H 1 8.526 0.003 . 1 . 11.0 . . A 424 SER H . 36731 1 458 . 1 . 1 38 38 SER HA H 1 4.477 0.004 . 1 . 9.0 . . A 424 SER HA . 36731 1 459 . 1 . 1 38 38 SER HB2 H 1 3.894 0.014 . 2 . 2.0 . . A 424 SER HB2 . 36731 1 460 . 1 . 1 38 38 SER HB2 H 1 3.926 0.006 . . . 4.0 . . A 424 SER HB2 . 36731 1 461 . 1 . 1 38 38 SER HB3 H 1 3.894 0.014 . 2 . 2.0 . . A 424 SER HB3 . 36731 1 462 . 1 . 1 38 38 SER HB3 H 1 3.861 0.009 . . . 4.0 . . A 424 SER HB3 . 36731 1 463 . 1 . 1 38 38 SER CA C 13 58.594 0.044 . 1 . 6.0 . . A 424 SER CA . 36731 1 464 . 1 . 1 38 38 SER CB C 13 63.754 0.052 . 1 . 8.0 . . A 424 SER CB . 36731 1 465 . 1 . 1 38 38 SER N N 15 118.15 0.011 . 1 . 9.0 . . A 424 SER N . 36731 1 466 . 1 . 1 39 39 ARG H H 1 8.45 0.003 . 1 . 8.0 . . A 425 ARG H . 36731 1 467 . 1 . 1 39 39 ARG HA H 1 4.334 0.008 . 1 . 6.0 . . A 425 ARG HA . 36731 1 468 . 1 . 1 39 39 ARG HB2 H 1 2.005 0.001 . 2 . 3.0 . . A 425 ARG HB2 . 36731 1 469 . 1 . 1 39 39 ARG HB2 H 1 2 0.004 . . . 2.0 . . A 425 ARG HB2 . 36731 1 470 . 1 . 1 39 39 ARG HB3 H 1 2.005 0.001 . 2 . 3.0 . . A 425 ARG HB3 . 36731 1 471 . 1 . 1 39 39 ARG HB3 H 1 1.9 0 . . . 1.0 . . A 425 ARG HB3 . 36731 1 472 . 1 . 1 39 39 ARG HG2 H 1 1.588 0.003 . 2 . 3.0 . . A 425 ARG HG2 . 36731 1 473 . 1 . 1 39 39 ARG HG3 H 1 1.588 0.003 . 2 . 3.0 . . A 425 ARG HG3 . 36731 1 474 . 1 . 1 39 39 ARG HD2 H 1 3.185 0 . 2 . 3.0 . . A 425 ARG HD2 . 36731 1 475 . 1 . 1 39 39 ARG HD3 H 1 3.185 0 . 2 . 3.0 . . A 425 ARG HD3 . 36731 1 476 . 1 . 1 39 39 ARG CA C 13 56.257 0.201 . 1 . 6.0 . . A 425 ARG CA . 36731 1 477 . 1 . 1 39 39 ARG CB C 13 30.621 0.058 . 1 . 5.0 . . A 425 ARG CB . 36731 1 478 . 1 . 1 39 39 ARG CG C 13 27.16 0.001 . 1 . 2.0 . . A 425 ARG CG . 36731 1 479 . 1 . 1 39 39 ARG CD C 13 43.381 0.01 . 1 . 2.0 . . A 425 ARG CD . 36731 1 480 . 1 . 1 39 39 ARG N N 15 122.564 0.018 . 1 . 7.0 . . A 425 ARG N . 36731 1 481 . 1 . 1 40 40 GLU H H 1 8.411 0.005 . 1 . 11.0 . . A 426 GLU H . 36731 1 482 . 1 . 1 40 40 GLU HA H 1 4.317 0.001 . 1 . 4.0 . . A 426 GLU HA . 36731 1 483 . 1 . 1 40 40 GLU HB2 H 1 1.948 0.008 . 2 . 2.0 . . A 426 GLU HB2 . 36731 1 484 . 1 . 1 40 40 GLU HB3 H 1 1.948 0.008 . 2 . 2.0 . . A 426 GLU HB3 . 36731 1 485 . 1 . 1 40 40 GLU HG2 H 1 2.256 0.004 . 2 . 6.0 . . A 426 GLU HG2 . 36731 1 486 . 1 . 1 40 40 GLU HG3 H 1 2.256 0.004 . 2 . 6.0 . . A 426 GLU HG3 . 36731 1 487 . 1 . 1 40 40 GLU CA C 13 56.639 0.042 . 1 . 4.0 . . A 426 GLU CA . 36731 1 488 . 1 . 1 40 40 GLU CB C 13 30.25 0.064 . 1 . 3.0 . . A 426 GLU CB . 36731 1 489 . 1 . 1 40 40 GLU CG C 13 36.329 0.026 . 1 . 3.0 . . A 426 GLU CG . 36731 1 490 . 1 . 1 40 40 GLU N N 15 121.138 0.031 . 1 . 9.0 . . A 426 GLU N . 36731 1 491 . 1 . 1 41 41 GLN H H 1 8.444 0.002 . 1 . 11.0 . . A 427 GLN H . 36731 1 492 . 1 . 1 41 41 GLN HA H 1 4.292 0.014 . 1 . 7.0 . . A 427 GLN HA . 36731 1 493 . 1 . 1 41 41 GLN HB2 H 1 1.974 0.01 . 2 . 6.0 . . A 427 GLN HB2 . 36731 1 494 . 1 . 1 41 41 GLN HB3 H 1 1.974 0.01 . 2 . 6.0 . . A 427 GLN HB3 . 36731 1 495 . 1 . 1 41 41 GLN HG2 H 1 2.326 0.01 . 2 . 6.0 . . A 427 GLN HG2 . 36731 1 496 . 1 . 1 41 41 GLN HG3 H 1 2.326 0.01 . 2 . 6.0 . . A 427 GLN HG3 . 36731 1 497 . 1 . 1 41 41 GLN CA C 13 55.88 0.114 . 1 . 7.0 . . A 427 GLN CA . 36731 1 498 . 1 . 1 41 41 GLN CB C 13 29.575 0.077 . 1 . 6.0 . . A 427 GLN CB . 36731 1 499 . 1 . 1 41 41 GLN CG C 13 33.747 0.043 . 1 . 3.0 . . A 427 GLN CG . 36731 1 500 . 1 . 1 41 41 GLN N N 15 121.584 0.053 . 1 . 10.0 . . A 427 GLN N . 36731 1 501 . 1 . 1 42 42 VAL H H 1 8.251 0.005 . 1 . 15.0 . . A 428 VAL H . 36731 1 502 . 1 . 1 42 42 VAL HA H 1 4.032 0.002 . 1 . 9.0 . . A 428 VAL HA . 36731 1 503 . 1 . 1 42 42 VAL HB H 1 1.995 0.004 . 1 . 7.0 . . A 428 VAL HB . 36731 1 504 . 1 . 1 42 42 VAL HG11 H 1 0.882 0 . 2 . 1.0 . . A 428 VAL HG11 . 36731 1 505 . 1 . 1 42 42 VAL HG11 H 1 0.894 0.007 . . . 3.0 . . A 428 VAL HG11 . 36731 1 506 . 1 . 1 42 42 VAL HG12 H 1 0.882 0 . 2 . 1.0 . . A 428 VAL HG12 . 36731 1 507 . 1 . 1 42 42 VAL HG12 H 1 0.894 0.007 . . . 3.0 . . A 428 VAL HG12 . 36731 1 508 . 1 . 1 42 42 VAL HG13 H 1 0.882 0 . 2 . 1.0 . . A 428 VAL HG13 . 36731 1 509 . 1 . 1 42 42 VAL HG13 H 1 0.894 0.007 . . . 3.0 . . A 428 VAL HG13 . 36731 1 510 . 1 . 1 42 42 VAL HG21 H 1 0.882 0 . 2 . 1.0 . . A 428 VAL HG21 . 36731 1 511 . 1 . 1 42 42 VAL HG21 H 1 0.86 0.005 . . . 6.0 . . A 428 VAL HG21 . 36731 1 512 . 1 . 1 42 42 VAL HG22 H 1 0.882 0 . 2 . 1.0 . . A 428 VAL HG22 . 36731 1 513 . 1 . 1 42 42 VAL HG22 H 1 0.86 0.005 . . . 6.0 . . A 428 VAL HG22 . 36731 1 514 . 1 . 1 42 42 VAL HG23 H 1 0.882 0 . 2 . 1.0 . . A 428 VAL HG23 . 36731 1 515 . 1 . 1 42 42 VAL HG23 H 1 0.86 0.005 . . . 6.0 . . A 428 VAL HG23 . 36731 1 516 . 1 . 1 42 42 VAL CA C 13 62.554 0.035 . 1 . 8.0 . . A 428 VAL CA . 36731 1 517 . 1 . 1 42 42 VAL CB C 13 32.673 0.051 . 1 . 5.0 . . A 428 VAL CB . 36731 1 518 . 1 . 1 42 42 VAL CG1 C 13 21.037 0.054 . 2 . 5.0 . . A 428 VAL CG1 . 36731 1 519 . 1 . 1 42 42 VAL CG2 C 13 21.037 0.054 . 2 . 5.0 . . A 428 VAL CG2 . 36731 1 520 . 1 . 1 42 42 VAL N N 15 121.487 0.026 . 1 . 13.0 . . A 428 VAL N . 36731 1 521 . 1 . 1 43 43 HIS H H 1 8.626 0.008 . 1 . 10.0 . . A 429 HIS H . 36731 1 522 . 1 . 1 43 43 HIS HA H 1 4.686 0.002 . 1 . 5.0 . . A 429 HIS HA . 36731 1 523 . 1 . 1 43 43 HIS HB2 H 1 3.123 0.001 . 2 . 2.0 . . A 429 HIS HB2 . 36731 1 524 . 1 . 1 43 43 HIS HB2 H 1 3.173 0 . . . 3.0 . . A 429 HIS HB2 . 36731 1 525 . 1 . 1 43 43 HIS HB3 H 1 3.123 0.001 . 2 . 2.0 . . A 429 HIS HB3 . 36731 1 526 . 1 . 1 43 43 HIS HB3 H 1 3.105 0.014 . . . 3.0 . . A 429 HIS HB3 . 36731 1 527 . 1 . 1 43 43 HIS CA C 13 55.762 0.062 . 1 . 5.0 . . A 429 HIS CA . 36731 1 528 . 1 . 1 43 43 HIS CB C 13 30.115 0.06 . 1 . 6.0 . . A 429 HIS CB . 36731 1 529 . 1 . 1 43 43 HIS N N 15 123.217 0.019 . 1 . 8.0 . . A 429 HIS N . 36731 1 530 . 1 . 1 44 44 GLN H H 1 8.583 0.003 . 1 . 9.0 . . A 430 GLN H . 36731 1 531 . 1 . 1 44 44 GLN HA H 1 4.341 0.017 . 1 . 3.0 . . A 430 GLN HA . 36731 1 532 . 1 . 1 44 44 GLN HB2 H 1 1.882 0.001 . 2 . 3.0 . . A 430 GLN HB2 . 36731 1 533 . 1 . 1 44 44 GLN HB3 H 1 1.882 0.001 . 2 . 3.0 . . A 430 GLN HB3 . 36731 1 534 . 1 . 1 44 44 GLN HG2 H 1 2.352 0.002 . 2 . 4.0 . . A 430 GLN HG2 . 36731 1 535 . 1 . 1 44 44 GLN HG3 H 1 2.352 0.002 . 2 . 4.0 . . A 430 GLN HG3 . 36731 1 536 . 1 . 1 44 44 GLN CA C 13 55.823 0.048 . 1 . 4.0 . . A 430 GLN CA . 36731 1 537 . 1 . 1 44 44 GLN CB C 13 29.588 0.101 . 1 . 5.0 . . A 430 GLN CB . 36731 1 538 . 1 . 1 44 44 GLN CG C 13 33.73 0.006 . 1 . 3.0 . . A 430 GLN CG . 36731 1 539 . 1 . 1 44 44 GLN N N 15 122.601 0.014 . 1 . 8.0 . . A 430 GLN N . 36731 1 540 . 1 . 1 45 45 THR H H 1 8.491 0.001 . 1 . 10.0 . . A 431 THR H . 36731 1 541 . 1 . 1 45 45 THR HA H 1 4.398 0.013 . 1 . 7.0 . . A 431 THR HA . 36731 1 542 . 1 . 1 45 45 THR HB H 1 4.304 0.002 . 1 . 4.0 . . A 431 THR HB . 36731 1 543 . 1 . 1 45 45 THR HG21 H 1 1.221 0.002 . 1 . 3.0 . . A 431 THR HG21 . 36731 1 544 . 1 . 1 45 45 THR HG22 H 1 1.221 0.002 . 1 . 3.0 . . A 431 THR HG22 . 36731 1 545 . 1 . 1 45 45 THR HG23 H 1 1.221 0.002 . 1 . 3.0 . . A 431 THR HG23 . 36731 1 546 . 1 . 1 45 45 THR CA C 13 62.086 0.063 . 1 . 5.0 . . A 431 THR CA . 36731 1 547 . 1 . 1 45 45 THR CB C 13 69.805 0.055 . 1 . 5.0 . . A 431 THR CB . 36731 1 548 . 1 . 1 45 45 THR CG2 C 13 21.617 0 . 1 . 1.0 . . A 431 THR CG2 . 36731 1 549 . 1 . 1 45 45 THR N N 15 116.287 0.029 . 1 . 9.0 . . A 431 THR N . 36731 1 550 . 1 . 1 46 46 THR H H 1 8.346 0.001 . 1 . 9.0 . . A 432 THR H . 36731 1 551 . 1 . 1 46 46 THR HA H 1 4.332 0.001 . 1 . 4.0 . . A 432 THR HA . 36731 1 552 . 1 . 1 46 46 THR HB H 1 4.203 0.004 . 1 . 5.0 . . A 432 THR HB . 36731 1 553 . 1 . 1 46 46 THR HG21 H 1 1.198 0.002 . 1 . 8.0 . . A 432 THR HG21 . 36731 1 554 . 1 . 1 46 46 THR HG22 H 1 1.198 0.002 . 1 . 8.0 . . A 432 THR HG22 . 36731 1 555 . 1 . 1 46 46 THR HG23 H 1 1.198 0.002 . 1 . 8.0 . . A 432 THR HG23 . 36731 1 556 . 1 . 1 46 46 THR CA C 13 61.976 0.013 . 1 . 6.0 . . A 432 THR CA . 36731 1 557 . 1 . 1 46 46 THR CB C 13 69.916 0.055 . 1 . 6.0 . . A 432 THR CB . 36731 1 558 . 1 . 1 46 46 THR CG2 C 13 21.607 0.003 . 1 . 3.0 . . A 432 THR CG2 . 36731 1 559 . 1 . 1 46 46 THR N N 15 117.413 0.018 . 1 . 8.0 . . A 432 THR N . 36731 1 560 . 1 . 1 47 47 ARG H H 1 8.176 0.001 . 1 . 13.0 . . A 433 ARG H . 36731 1 561 . 1 . 1 47 47 ARG HA H 1 4.185 0.003 . 1 . 4.0 . . A 433 ARG HA . 36731 1 562 . 1 . 1 47 47 ARG HB2 H 1 1.837 0.007 . . . 3.0 . . A 433 ARG HB2 . 36731 1 563 . 1 . 1 47 47 ARG HB3 H 1 1.719 0.004 . . . 3.0 . . A 433 ARG HB3 . 36731 1 564 . 1 . 1 47 47 ARG HG2 H 1 1.589 0.002 . 2 . 5.0 . . A 433 ARG HG2 . 36731 1 565 . 1 . 1 47 47 ARG HG3 H 1 1.589 0.002 . 2 . 5.0 . . A 433 ARG HG3 . 36731 1 566 . 1 . 1 47 47 ARG HD2 H 1 3.182 0.005 . 2 . 4.0 . . A 433 ARG HD2 . 36731 1 567 . 1 . 1 47 47 ARG HD3 H 1 3.182 0.005 . 2 . 4.0 . . A 433 ARG HD3 . 36731 1 568 . 1 . 1 47 47 ARG CA C 13 57.584 0.026 . 1 . 3.0 . . A 433 ARG CA . 36731 1 569 . 1 . 1 47 47 ARG CB C 13 31.36 0.072 . 1 . 5.0 . . A 433 ARG CB . 36731 1 570 . 1 . 1 47 47 ARG CG C 13 27.143 0.024 . 1 . 3.0 . . A 433 ARG CG . 36731 1 571 . 1 . 1 47 47 ARG CD C 13 43.381 0.01 . 1 . 2.0 . . A 433 ARG CD . 36731 1 572 . 1 . 1 47 47 ARG N N 15 128.665 0.029 . 1 . 12.0 . . A 433 ARG N . 36731 1 stop_ save_