################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18490 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HBHA(CO)NH' . . . 18490 1 3 '3D HNCA' . . . 18490 1 4 '3D CBCA(CO)NH' . . . 18490 1 5 '3D 1H-13C NOESY aliphatic' . . . 18490 1 6 '3D 1H-13C NOESY aromatic' . . . 18490 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 MET HA H 1 4.387 0.001 . 1 . . . A 553 MET HA . 18490 1 2 . 1 1 1 1 MET HB2 H 1 2.849 0.018 . 1 . . . A 553 MET HB2 . 18490 1 3 . 1 1 1 1 MET HB3 H 1 2.849 0.018 . 1 . . . A 553 MET HB3 . 18490 1 4 . 1 1 1 1 MET CA C 13 53.496 0.000 . 1 . . . A 553 MET CA . 18490 1 5 . 1 1 1 1 MET CB C 13 28.387 0.000 . 1 . . . A 553 MET CB . 18490 1 6 . 1 1 2 2 LYS H H 1 7.684 0.002 . 1 . . . A 554 LYS H . 18490 1 7 . 1 1 2 2 LYS N N 15 126.040 0.000 . 1 . . . A 554 LYS N . 18490 1 8 . 1 1 3 3 MET HA H 1 4.538 0.001 . 1 . . . A 555 MET HA . 18490 1 9 . 1 1 3 3 MET HB2 H 1 2.341 0.001 . 2 . . . A 555 MET HB2 . 18490 1 10 . 1 1 3 3 MET HB3 H 1 1.760 0.007 . 2 . . . A 555 MET HB3 . 18490 1 11 . 1 1 3 3 MET CA C 13 51.252 0.000 . 1 . . . A 555 MET CA . 18490 1 12 . 1 1 3 3 MET CB C 13 28.816 0.001 . 1 . . . A 555 MET CB . 18490 1 13 . 1 1 4 4 TRP H H 1 7.686 0.015 . 1 . . . A 556 TRP H . 18490 1 14 . 1 1 4 4 TRP HA H 1 4.552 0.009 . 1 . . . A 556 TRP HA . 18490 1 15 . 1 1 4 4 TRP HB2 H 1 2.933 0.005 . 2 . . . A 556 TRP HB2 . 18490 1 16 . 1 1 4 4 TRP HB3 H 1 2.787 0.003 . 2 . . . A 556 TRP HB3 . 18490 1 17 . 1 1 4 4 TRP HD1 H 1 7.141 0.001 . 1 . . . A 556 TRP HD1 . 18490 1 18 . 1 1 4 4 TRP HE1 H 1 10.231 0.013 . 1 . . . A 556 TRP HE1 . 18490 1 19 . 1 1 4 4 TRP HZ2 H 1 6.974 0.001 . 1 . . . A 556 TRP HZ2 . 18490 1 20 . 1 1 4 4 TRP HH2 H 1 6.683 0.003 . 1 . . . A 556 TRP HH2 . 18490 1 21 . 1 1 4 4 TRP CA C 13 54.260 0.000 . 1 . . . A 556 TRP CA . 18490 1 22 . 1 1 4 4 TRP CB C 13 29.299 0.029 . 1 . . . A 556 TRP CB . 18490 1 23 . 1 1 4 4 TRP CD1 C 13 124.680 0.003 . 1 . . . A 556 TRP CD1 . 18490 1 24 . 1 1 4 4 TRP CZ2 C 13 111.099 0.034 . 1 . . . A 556 TRP CZ2 . 18490 1 25 . 1 1 4 4 TRP CH2 C 13 120.774 0.030 . 1 . . . A 556 TRP CH2 . 18490 1 26 . 1 1 4 4 TRP N N 15 124.579 0.000 . 1 . . . A 556 TRP N . 18490 1 27 . 1 1 4 4 TRP NE1 N 15 129.124 0.008 . 1 . . . A 556 TRP NE1 . 18490 1 28 . 1 1 5 5 LYS H H 1 8.983 0.007 . 1 . . . A 557 LYS H . 18490 1 29 . 1 1 5 5 LYS HA H 1 4.717 0.003 . 1 . . . A 557 LYS HA . 18490 1 30 . 1 1 5 5 LYS CA C 13 50.494 0.000 . 1 . . . A 557 LYS CA . 18490 1 31 . 1 1 5 5 LYS N N 15 120.748 0.000 . 1 . . . A 557 LYS N . 18490 1 32 . 1 1 6 6 PRO HA H 1 3.757 0.005 . 1 . . . A 558 PRO HA . 18490 1 33 . 1 1 6 6 PRO HB2 H 1 2.126 0.000 . 2 . . . A 558 PRO HB2 . 18490 1 34 . 1 1 6 6 PRO HB3 H 1 1.703 0.003 . 2 . . . A 558 PRO HB3 . 18490 1 35 . 1 1 6 6 PRO CA C 13 60.972 0.000 . 1 . . . A 558 PRO CA . 18490 1 36 . 1 1 6 6 PRO CB C 13 28.581 0.015 . 1 . . . A 558 PRO CB . 18490 1 37 . 1 1 7 7 GLY H H 1 9.372 0.006 . 1 . . . A 559 GLY H . 18490 1 38 . 1 1 7 7 GLY HA2 H 1 3.610 0.003 . 2 . . . A 559 GLY HA2 . 18490 1 39 . 1 1 7 7 GLY HA3 H 1 4.290 0.001 . 2 . . . A 559 GLY HA3 . 18490 1 40 . 1 1 7 7 GLY CA C 13 41.873 0.001 . 1 . . . A 559 GLY CA . 18490 1 41 . 1 1 7 7 GLY N N 15 114.722 0.000 . 1 . . . A 559 GLY N . 18490 1 42 . 1 1 8 8 ASP H H 1 7.875 0.001 . 1 . . . A 560 ASP H . 18490 1 43 . 1 1 8 8 ASP HA H 1 4.522 0.000 . 1 . . . A 560 ASP HA . 18490 1 44 . 1 1 8 8 ASP HB2 H 1 2.892 0.001 . 1 . . . A 560 ASP HB2 . 18490 1 45 . 1 1 8 8 ASP HB3 H 1 2.892 0.001 . 1 . . . A 560 ASP HB3 . 18490 1 46 . 1 1 8 8 ASP CA C 13 53.191 0.000 . 1 . . . A 560 ASP CA . 18490 1 47 . 1 1 8 8 ASP CB C 13 39.229 0.000 . 1 . . . A 560 ASP CB . 18490 1 48 . 1 1 8 8 ASP N N 15 121.253 0.000 . 1 . . . A 560 ASP N . 18490 1 49 . 1 1 9 9 GLU H H 1 8.543 0.004 . 1 . . . A 561 GLU H . 18490 1 50 . 1 1 9 9 GLU HA H 1 4.822 0.003 . 1 . . . A 561 GLU HA . 18490 1 51 . 1 1 9 9 GLU HB2 H 1 1.884 0.012 . 1 . . . A 561 GLU HB2 . 18490 1 52 . 1 1 9 9 GLU HB3 H 1 1.884 0.012 . 1 . . . A 561 GLU HB3 . 18490 1 53 . 1 1 9 9 GLU HG2 H 1 2.322 0.004 . 1 . . . A 561 GLU HG2 . 18490 1 54 . 1 1 9 9 GLU HG3 H 1 2.322 0.004 . 1 . . . A 561 GLU HG3 . 18490 1 55 . 1 1 9 9 GLU CA C 13 53.057 0.000 . 1 . . . A 561 GLU CA . 18490 1 56 . 1 1 9 9 GLU CB C 13 28.765 0.017 . 1 . . . A 561 GLU CB . 18490 1 57 . 1 1 9 9 GLU CG C 13 34.661 0.000 . 1 . . . A 561 GLU CG . 18490 1 58 . 1 1 9 9 GLU N N 15 121.105 0.000 . 1 . . . A 561 GLU N . 18490 1 59 . 1 1 10 10 CYS H H 1 8.627 0.000 . 1 . . . A 562 CYS H . 18490 1 60 . 1 1 10 10 CYS HA H 1 4.854 0.002 . 1 . . . A 562 CYS HA . 18490 1 61 . 1 1 10 10 CYS HB2 H 1 2.629 0.007 . 2 . . . A 562 CYS HB2 . 18490 1 62 . 1 1 10 10 CYS HB3 H 1 2.332 0.002 . 2 . . . A 562 CYS HB3 . 18490 1 63 . 1 1 10 10 CYS CA C 13 53.649 0.000 . 1 . . . A 562 CYS CA . 18490 1 64 . 1 1 10 10 CYS CB C 13 29.783 0.067 . 1 . . . A 562 CYS CB . 18490 1 65 . 1 1 10 10 CYS N N 15 115.944 0.000 . 1 . . . A 562 CYS N . 18490 1 66 . 1 1 11 11 PHE H H 1 8.936 0.007 . 1 . . . A 563 PHE H . 18490 1 67 . 1 1 11 11 PHE HA H 1 5.049 0.008 . 1 . . . A 563 PHE HA . 18490 1 68 . 1 1 11 11 PHE HB2 H 1 2.632 0.006 . 2 . . . A 563 PHE HB2 . 18490 1 69 . 1 1 11 11 PHE HB3 H 1 2.473 0.009 . 2 . . . A 563 PHE HB3 . 18490 1 70 . 1 1 11 11 PHE HD1 H 1 6.788 0.002 . 1 . . . A 563 PHE HD1 . 18490 1 71 . 1 1 11 11 PHE HD2 H 1 6.788 0.002 . 1 . . . A 563 PHE HD2 . 18490 1 72 . 1 1 11 11 PHE HE1 H 1 6.788 0.002 . 1 . . . A 563 PHE HE1 . 18490 1 73 . 1 1 11 11 PHE HE2 H 1 6.788 0.002 . 1 . . . A 563 PHE HE2 . 18490 1 74 . 1 1 11 11 PHE CA C 13 55.141 0.000 . 1 . . . A 563 PHE CA . 18490 1 75 . 1 1 11 11 PHE CB C 13 39.077 0.012 . 1 . . . A 563 PHE CB . 18490 1 76 . 1 1 11 11 PHE CD1 C 13 128.329 0.000 . 1 . . . A 563 PHE CD1 . 18490 1 77 . 1 1 11 11 PHE CD2 C 13 128.329 0.000 . 1 . . . A 563 PHE CD2 . 18490 1 78 . 1 1 11 11 PHE CE1 C 13 128.329 0.000 . 1 . . . A 563 PHE CE1 . 18490 1 79 . 1 1 11 11 PHE CE2 C 13 128.329 0.000 . 1 . . . A 563 PHE CE2 . 18490 1 80 . 1 1 11 11 PHE N N 15 116.503 0.000 . 1 . . . A 563 PHE N . 18490 1 81 . 1 1 12 12 ALA H H 1 9.195 0.006 . 1 . . . A 564 ALA H . 18490 1 82 . 1 1 12 12 ALA HA H 1 5.404 0.000 . 1 . . . A 564 ALA HA . 18490 1 83 . 1 1 12 12 ALA HB1 H 1 1.016 0.001 . 1 . . . A 564 ALA HB1 . 18490 1 84 . 1 1 12 12 ALA HB2 H 1 1.016 0.001 . 1 . . . A 564 ALA HB2 . 18490 1 85 . 1 1 12 12 ALA HB3 H 1 1.016 0.001 . 1 . . . A 564 ALA HB3 . 18490 1 86 . 1 1 12 12 ALA CA C 13 47.387 0.000 . 1 . . . A 564 ALA CA . 18490 1 87 . 1 1 12 12 ALA CB C 13 21.089 0.000 . 1 . . . A 564 ALA CB . 18490 1 88 . 1 1 12 12 ALA N N 15 122.486 0.000 . 1 . . . A 564 ALA N . 18490 1 89 . 1 1 13 13 LEU H H 1 7.362 0.006 . 1 . . . A 565 LEU H . 18490 1 90 . 1 1 13 13 LEU HA H 1 3.364 0.001 . 1 . . . A 565 LEU HA . 18490 1 91 . 1 1 13 13 LEU HB2 H 1 1.490 0.005 . 2 . . . A 565 LEU HB2 . 18490 1 92 . 1 1 13 13 LEU HB3 H 1 0.635 0.016 . 2 . . . A 565 LEU HB3 . 18490 1 93 . 1 1 13 13 LEU HG H 1 0.472 0.002 . 1 . . . A 565 LEU HG . 18490 1 94 . 1 1 13 13 LEU HD11 H 1 -0.160 0.001 . 1 . . . A 565 LEU HD11 . 18490 1 95 . 1 1 13 13 LEU HD12 H 1 -0.160 0.001 . 1 . . . A 565 LEU HD12 . 18490 1 96 . 1 1 13 13 LEU HD13 H 1 -0.160 0.001 . 1 . . . A 565 LEU HD13 . 18490 1 97 . 1 1 13 13 LEU HD21 H 1 -0.160 0.001 . 1 . . . A 565 LEU HD21 . 18490 1 98 . 1 1 13 13 LEU HD22 H 1 -0.160 0.001 . 1 . . . A 565 LEU HD22 . 18490 1 99 . 1 1 13 13 LEU HD23 H 1 -0.160 0.001 . 1 . . . A 565 LEU HD23 . 18490 1 100 . 1 1 13 13 LEU CA C 13 52.469 0.010 . 1 . . . A 565 LEU CA . 18490 1 101 . 1 1 13 13 LEU CB C 13 41.189 0.019 . 1 . . . A 565 LEU CB . 18490 1 102 . 1 1 13 13 LEU CG C 13 22.718 0.000 . 1 . . . A 565 LEU CG . 18490 1 103 . 1 1 13 13 LEU CD1 C 13 19.466 0.000 . 1 . . . A 565 LEU CD1 . 18490 1 104 . 1 1 13 13 LEU CD2 C 13 19.466 0.000 . 1 . . . A 565 LEU CD2 . 18490 1 105 . 1 1 13 13 LEU N N 15 123.611 0.000 . 1 . . . A 565 LEU N . 18490 1 106 . 1 1 14 14 TYR H H 1 9.326 0.009 . 1 . . . A 566 TYR H . 18490 1 107 . 1 1 14 14 TYR HA H 1 4.809 0.000 . 1 . . . A 566 TYR HA . 18490 1 108 . 1 1 14 14 TYR HB2 H 1 3.358 0.012 . 2 . . . A 566 TYR HB2 . 18490 1 109 . 1 1 14 14 TYR HB3 H 1 2.383 0.024 . 2 . . . A 566 TYR HB3 . 18490 1 110 . 1 1 14 14 TYR HD1 H 1 6.688 0.004 . 1 . . . A 566 TYR HD1 . 18490 1 111 . 1 1 14 14 TYR HD2 H 1 6.688 0.004 . 1 . . . A 566 TYR HD2 . 18490 1 112 . 1 1 14 14 TYR HE1 H 1 6.212 0.007 . 1 . . . A 566 TYR HE1 . 18490 1 113 . 1 1 14 14 TYR HE2 H 1 6.212 0.007 . 1 . . . A 566 TYR HE2 . 18490 1 114 . 1 1 14 14 TYR CA C 13 52.496 0.005 . 1 . . . A 566 TYR CA . 18490 1 115 . 1 1 14 14 TYR CB C 13 34.849 0.021 . 1 . . . A 566 TYR CB . 18490 1 116 . 1 1 14 14 TYR CD1 C 13 128.754 0.109 . 1 . . . A 566 TYR CD1 . 18490 1 117 . 1 1 14 14 TYR CD2 C 13 128.754 0.109 . 1 . . . A 566 TYR CD2 . 18490 1 118 . 1 1 14 14 TYR CE1 C 13 116.167 0.078 . 1 . . . A 566 TYR CE1 . 18490 1 119 . 1 1 14 14 TYR CE2 C 13 116.167 0.078 . 1 . . . A 566 TYR CE2 . 18490 1 120 . 1 1 14 14 TYR N N 15 131.717 0.000 . 1 . . . A 566 TYR N . 18490 1 121 . 1 1 15 15 TRP H H 1 8.312 0.014 . 1 . . . A 567 TRP H . 18490 1 122 . 1 1 15 15 TRP HA H 1 3.935 0.000 . 1 . . . A 567 TRP HA . 18490 1 123 . 1 1 15 15 TRP HB2 H 1 3.149 0.001 . 2 . . . A 567 TRP HB2 . 18490 1 124 . 1 1 15 15 TRP HB3 H 1 2.950 0.004 . 2 . . . A 567 TRP HB3 . 18490 1 125 . 1 1 15 15 TRP HD1 H 1 7.058 0.020 . 1 . . . A 567 TRP HD1 . 18490 1 126 . 1 1 15 15 TRP HE1 H 1 9.909 0.014 . 1 . . . A 567 TRP HE1 . 18490 1 127 . 1 1 15 15 TRP HE3 H 1 7.311 0.000 . 1 . . . A 567 TRP HE3 . 18490 1 128 . 1 1 15 15 TRP HZ2 H 1 7.322 0.012 . 1 . . . A 567 TRP HZ2 . 18490 1 129 . 1 1 15 15 TRP HZ3 H 1 6.910 0.008 . 1 . . . A 567 TRP HZ3 . 18490 1 130 . 1 1 15 15 TRP HH2 H 1 7.000 0.004 . 1 . . . A 567 TRP HH2 . 18490 1 131 . 1 1 15 15 TRP CA C 13 55.777 0.002 . 1 . . . A 567 TRP CA . 18490 1 132 . 1 1 15 15 TRP CB C 13 25.421 0.043 . 1 . . . A 567 TRP CB . 18490 1 133 . 1 1 15 15 TRP CD1 C 13 124.622 0.000 . 1 . . . A 567 TRP CD1 . 18490 1 134 . 1 1 15 15 TRP CZ2 C 13 112.061 0.001 . 1 . . . A 567 TRP CZ2 . 18490 1 135 . 1 1 15 15 TRP CZ3 C 13 119.306 0.032 . 1 . . . A 567 TRP CZ3 . 18490 1 136 . 1 1 15 15 TRP CH2 C 13 121.975 0.004 . 1 . . . A 567 TRP CH2 . 18490 1 137 . 1 1 15 15 TRP N N 15 128.045 0.023 . 1 . . . A 567 TRP N . 18490 1 138 . 1 1 15 15 TRP NE1 N 15 130.215 0.045 . 1 . . . A 567 TRP NE1 . 18490 1 139 . 1 1 16 16 GLU H H 1 3.785 0.036 . 1 . . . A 568 GLU H . 18490 1 140 . 1 1 16 16 GLU HA H 1 2.739 0.000 . 1 . . . A 568 GLU HA . 18490 1 141 . 1 1 16 16 GLU HB2 H 1 0.853 0.011 . 2 . . . A 568 GLU HB2 . 18490 1 142 . 1 1 16 16 GLU HB3 H 1 -0.305 0.013 . 2 . . . A 568 GLU HB3 . 18490 1 143 . 1 1 16 16 GLU HG2 H 1 2.746 0.007 . 1 . . . A 568 GLU HG2 . 18490 1 144 . 1 1 16 16 GLU HG3 H 1 2.746 0.007 . 1 . . . A 568 GLU HG3 . 18490 1 145 . 1 1 16 16 GLU CA C 13 57.063 0.000 . 1 . . . A 568 GLU CA . 18490 1 146 . 1 1 16 16 GLU CB C 13 26.947 0.009 . 1 . . . A 568 GLU CB . 18490 1 147 . 1 1 16 16 GLU N N 15 116.959 0.076 . 1 . . . A 568 GLU N . 18490 1 148 . 1 1 17 17 ASP H H 1 6.511 0.015 . 1 . . . A 569 ASP H . 18490 1 149 . 1 1 17 17 ASP HA H 1 4.392 0.000 . 1 . . . A 569 ASP HA . 18490 1 150 . 1 1 17 17 ASP HB2 H 1 2.707 0.001 . 2 . . . A 569 ASP HB2 . 18490 1 151 . 1 1 17 17 ASP HB3 H 1 2.178 0.001 . 2 . . . A 569 ASP HB3 . 18490 1 152 . 1 1 17 17 ASP CA C 13 49.150 0.000 . 1 . . . A 569 ASP CA . 18490 1 153 . 1 1 17 17 ASP CB C 13 38.739 0.035 . 1 . . . A 569 ASP CB . 18490 1 154 . 1 1 17 17 ASP N N 15 111.935 0.000 . 1 . . . A 569 ASP N . 18490 1 155 . 1 1 18 18 ASN H H 1 8.091 0.002 . 1 . . . A 570 ASN H . 18490 1 156 . 1 1 18 18 ASN HA H 1 3.902 0.004 . 1 . . . A 570 ASN HA . 18490 1 157 . 1 1 18 18 ASN HB2 H 1 2.901 0.006 . 2 . . . A 570 ASN HB2 . 18490 1 158 . 1 1 18 18 ASN HB3 H 1 2.378 0.004 . 2 . . . A 570 ASN HB3 . 18490 1 159 . 1 1 18 18 ASN CA C 13 52.221 0.057 . 1 . . . A 570 ASN CA . 18490 1 160 . 1 1 18 18 ASN CB C 13 35.296 0.046 . 1 . . . A 570 ASN CB . 18490 1 161 . 1 1 18 18 ASN N N 15 116.485 0.000 . 1 . . . A 570 ASN N . 18490 1 162 . 1 1 19 19 LYS H H 1 7.514 0.008 . 1 . . . A 571 LYS H . 18490 1 163 . 1 1 19 19 LYS HA H 1 4.362 0.008 . 1 . . . A 571 LYS HA . 18490 1 164 . 1 1 19 19 LYS HB2 H 1 1.569 0.009 . 2 . . . A 571 LYS HB2 . 18490 1 165 . 1 1 19 19 LYS HB3 H 1 1.266 0.020 . 2 . . . A 571 LYS HB3 . 18490 1 166 . 1 1 19 19 LYS HG2 H 1 0.964 0.008 . 1 . . . A 571 LYS HG2 . 18490 1 167 . 1 1 19 19 LYS HG3 H 1 0.964 0.008 . 1 . . . A 571 LYS HG3 . 18490 1 168 . 1 1 19 19 LYS HD2 H 1 1.859 0.009 . 1 . . . A 571 LYS HD2 . 18490 1 169 . 1 1 19 19 LYS HD3 H 1 1.859 0.009 . 1 . . . A 571 LYS HD3 . 18490 1 170 . 1 1 19 19 LYS HE2 H 1 2.222 0.002 . 1 . . . A 571 LYS HE2 . 18490 1 171 . 1 1 19 19 LYS HE3 H 1 2.222 0.002 . 1 . . . A 571 LYS HE3 . 18490 1 172 . 1 1 19 19 LYS CA C 13 51.825 0.000 . 1 . . . A 571 LYS CA . 18490 1 173 . 1 1 19 19 LYS CB C 13 32.236 0.086 . 1 . . . A 571 LYS CB . 18490 1 174 . 1 1 19 19 LYS CG C 13 25.126 0.027 . 1 . . . A 571 LYS CG . 18490 1 175 . 1 1 19 19 LYS CD C 13 24.890 0.039 . 1 . . . A 571 LYS CD . 18490 1 176 . 1 1 19 19 LYS CE C 13 39.200 0.028 . 1 . . . A 571 LYS CE . 18490 1 177 . 1 1 19 19 LYS N N 15 116.593 0.000 . 1 . . . A 571 LYS N . 18490 1 178 . 1 1 20 20 PHE H H 1 8.267 0.003 . 1 . . . A 572 PHE H . 18490 1 179 . 1 1 20 20 PHE HA H 1 4.865 0.007 . 1 . . . A 572 PHE HA . 18490 1 180 . 1 1 20 20 PHE HB2 H 1 2.551 0.017 . 2 . . . A 572 PHE HB2 . 18490 1 181 . 1 1 20 20 PHE HB3 H 1 2.288 0.002 . 2 . . . A 572 PHE HB3 . 18490 1 182 . 1 1 20 20 PHE HD1 H 1 6.827 0.009 . 1 . . . A 572 PHE HD1 . 18490 1 183 . 1 1 20 20 PHE HD2 H 1 6.827 0.009 . 1 . . . A 572 PHE HD2 . 18490 1 184 . 1 1 20 20 PHE HE1 H 1 6.827 0.009 . 1 . . . A 572 PHE HE1 . 18490 1 185 . 1 1 20 20 PHE HE2 H 1 6.827 0.009 . 1 . . . A 572 PHE HE2 . 18490 1 186 . 1 1 20 20 PHE CA C 13 55.573 0.000 . 1 . . . A 572 PHE CA . 18490 1 187 . 1 1 20 20 PHE CB C 13 38.524 0.044 . 1 . . . A 572 PHE CB . 18490 1 188 . 1 1 20 20 PHE CD1 C 13 128.708 0.000 . 1 . . . A 572 PHE CD1 . 18490 1 189 . 1 1 20 20 PHE CD2 C 13 128.708 0.000 . 1 . . . A 572 PHE CD2 . 18490 1 190 . 1 1 20 20 PHE CE1 C 13 128.708 0.000 . 1 . . . A 572 PHE CE1 . 18490 1 191 . 1 1 20 20 PHE CE2 C 13 128.708 0.000 . 1 . . . A 572 PHE CE2 . 18490 1 192 . 1 1 20 20 PHE N N 15 118.347 0.000 . 1 . . . A 572 PHE N . 18490 1 193 . 1 1 21 21 TYR H H 1 8.726 0.000 . 1 . . . A 573 TYR H . 18490 1 194 . 1 1 21 21 TYR HA H 1 4.949 0.002 . 1 . . . A 573 TYR HA . 18490 1 195 . 1 1 21 21 TYR HB2 H 1 3.398 0.002 . 2 . . . A 573 TYR HB2 . 18490 1 196 . 1 1 21 21 TYR HB3 H 1 2.805 0.001 . 2 . . . A 573 TYR HB3 . 18490 1 197 . 1 1 21 21 TYR HD1 H 1 7.010 0.004 . 1 . . . A 573 TYR HD1 . 18490 1 198 . 1 1 21 21 TYR HD2 H 1 7.010 0.004 . 1 . . . A 573 TYR HD2 . 18490 1 199 . 1 1 21 21 TYR HE1 H 1 7.092 0.005 . 1 . . . A 573 TYR HE1 . 18490 1 200 . 1 1 21 21 TYR HE2 H 1 7.092 0.005 . 1 . . . A 573 TYR HE2 . 18490 1 201 . 1 1 21 21 TYR CA C 13 54.084 0.000 . 1 . . . A 573 TYR CA . 18490 1 202 . 1 1 21 21 TYR CB C 13 41.199 0.041 . 1 . . . A 573 TYR CB . 18490 1 203 . 1 1 21 21 TYR CD1 C 13 130.616 0.000 . 1 . . . A 573 TYR CD1 . 18490 1 204 . 1 1 21 21 TYR CD2 C 13 130.616 0.000 . 1 . . . A 573 TYR CD2 . 18490 1 205 . 1 1 21 21 TYR CE1 C 13 115.917 0.001 . 1 . . . A 573 TYR CE1 . 18490 1 206 . 1 1 21 21 TYR CE2 C 13 115.917 0.001 . 1 . . . A 573 TYR CE2 . 18490 1 207 . 1 1 21 21 TYR N N 15 117.867 0.000 . 1 . . . A 573 TYR N . 18490 1 208 . 1 1 22 22 ARG H H 1 9.110 0.008 . 1 . . . A 574 ARG H . 18490 1 209 . 1 1 22 22 ARG HA H 1 4.175 0.004 . 1 . . . A 574 ARG HA . 18490 1 210 . 1 1 22 22 ARG HB2 H 1 1.695 0.054 . 1 . . . A 574 ARG HB2 . 18490 1 211 . 1 1 22 22 ARG HB3 H 1 1.695 0.054 . 1 . . . A 574 ARG HB3 . 18490 1 212 . 1 1 22 22 ARG HG2 H 1 1.983 0.011 . 1 . . . A 574 ARG HG2 . 18490 1 213 . 1 1 22 22 ARG HG3 H 1 1.983 0.011 . 1 . . . A 574 ARG HG3 . 18490 1 214 . 1 1 22 22 ARG HD2 H 1 4.006 0.000 . 1 . . . A 574 ARG HD2 . 18490 1 215 . 1 1 22 22 ARG HD3 H 1 4.006 0.000 . 1 . . . A 574 ARG HD3 . 18490 1 216 . 1 1 22 22 ARG CA C 13 54.620 0.017 . 1 . . . A 574 ARG CA . 18490 1 217 . 1 1 22 22 ARG CB C 13 27.772 0.086 . 1 . . . A 574 ARG CB . 18490 1 218 . 1 1 22 22 ARG CG C 13 33.522 0.000 . 1 . . . A 574 ARG CG . 18490 1 219 . 1 1 22 22 ARG N N 15 122.076 0.000 . 1 . . . A 574 ARG N . 18490 1 220 . 1 1 23 23 ALA H H 1 9.307 0.006 . 1 . . . A 575 ALA H . 18490 1 221 . 1 1 23 23 ALA HA H 1 5.014 0.000 . 1 . . . A 575 ALA HA . 18490 1 222 . 1 1 23 23 ALA HB1 H 1 0.549 0.003 . 1 . . . A 575 ALA HB1 . 18490 1 223 . 1 1 23 23 ALA HB2 H 1 0.549 0.003 . 1 . . . A 575 ALA HB2 . 18490 1 224 . 1 1 23 23 ALA HB3 H 1 0.549 0.003 . 1 . . . A 575 ALA HB3 . 18490 1 225 . 1 1 23 23 ALA CA C 13 48.488 0.000 . 1 . . . A 575 ALA CA . 18490 1 226 . 1 1 23 23 ALA CB C 13 20.693 0.000 . 1 . . . A 575 ALA CB . 18490 1 227 . 1 1 23 23 ALA N N 15 127.941 0.000 . 1 . . . A 575 ALA N . 18490 1 228 . 1 1 24 24 GLU H H 1 8.267 0.003 . 1 . . . A 576 GLU H . 18490 1 229 . 1 1 24 24 GLU HA H 1 4.973 0.001 . 1 . . . A 576 GLU HA . 18490 1 230 . 1 1 24 24 GLU HB2 H 1 1.593 0.001 . 1 . . . A 576 GLU HB2 . 18490 1 231 . 1 1 24 24 GLU HB3 H 1 1.593 0.001 . 1 . . . A 576 GLU HB3 . 18490 1 232 . 1 1 24 24 GLU HG2 H 1 1.854 0.003 . 1 . . . A 576 GLU HG2 . 18490 1 233 . 1 1 24 24 GLU HG3 H 1 1.854 0.003 . 1 . . . A 576 GLU HG3 . 18490 1 234 . 1 1 24 24 GLU CA C 13 51.193 0.000 . 1 . . . A 576 GLU CA . 18490 1 235 . 1 1 24 24 GLU CB C 13 30.980 0.013 . 1 . . . A 576 GLU CB . 18490 1 236 . 1 1 24 24 GLU CG C 13 33.882 0.000 . 1 . . . A 576 GLU CG . 18490 1 237 . 1 1 24 24 GLU N N 15 118.347 0.000 . 1 . . . A 576 GLU N . 18490 1 238 . 1 1 25 25 VAL H H 1 8.840 0.003 . 1 . . . A 577 VAL H . 18490 1 239 . 1 1 25 25 VAL HA H 1 3.402 0.003 . 1 . . . A 577 VAL HA . 18490 1 240 . 1 1 25 25 VAL HB H 1 2.114 0.001 . 1 . . . A 577 VAL HB . 18490 1 241 . 1 1 25 25 VAL HG11 H 1 0.480 0.000 . 2 . . . A 577 VAL HG11 . 18490 1 242 . 1 1 25 25 VAL HG12 H 1 0.480 0.000 . 2 . . . A 577 VAL HG12 . 18490 1 243 . 1 1 25 25 VAL HG13 H 1 0.480 0.000 . 2 . . . A 577 VAL HG13 . 18490 1 244 . 1 1 25 25 VAL HG21 H 1 0.376 0.002 . 2 . . . A 577 VAL HG21 . 18490 1 245 . 1 1 25 25 VAL HG22 H 1 0.376 0.002 . 2 . . . A 577 VAL HG22 . 18490 1 246 . 1 1 25 25 VAL HG23 H 1 0.376 0.002 . 2 . . . A 577 VAL HG23 . 18490 1 247 . 1 1 25 25 VAL CA C 13 62.184 0.000 . 1 . . . A 577 VAL CA . 18490 1 248 . 1 1 25 25 VAL CB C 13 28.796 0.000 . 1 . . . A 577 VAL CB . 18490 1 249 . 1 1 25 25 VAL CG1 C 13 19.499 0.000 . 1 . . . A 577 VAL CG1 . 18490 1 250 . 1 1 25 25 VAL CG2 C 13 19.023 0.000 . 1 . . . A 577 VAL CG2 . 18490 1 251 . 1 1 25 25 VAL N N 15 124.034 0.000 . 1 . . . A 577 VAL N . 18490 1 252 . 1 1 26 26 GLU H H 1 9.368 0.006 . 1 . . . A 578 GLU H . 18490 1 253 . 1 1 26 26 GLU HA H 1 4.476 0.000 . 1 . . . A 578 GLU HA . 18490 1 254 . 1 1 26 26 GLU HB2 H 1 1.750 0.021 . 1 . . . A 578 GLU HB2 . 18490 1 255 . 1 1 26 26 GLU HB3 H 1 1.750 0.021 . 1 . . . A 578 GLU HB3 . 18490 1 256 . 1 1 26 26 GLU HG2 H 1 2.085 0.039 . 1 . . . A 578 GLU HG2 . 18490 1 257 . 1 1 26 26 GLU HG3 H 1 2.085 0.039 . 1 . . . A 578 GLU HG3 . 18490 1 258 . 1 1 26 26 GLU CA C 13 54.201 0.000 . 1 . . . A 578 GLU CA . 18490 1 259 . 1 1 26 26 GLU CB C 13 27.969 0.068 . 1 . . . A 578 GLU CB . 18490 1 260 . 1 1 26 26 GLU CG C 13 26.183 0.000 . 1 . . . A 578 GLU CG . 18490 1 261 . 1 1 26 26 GLU N N 15 131.333 0.000 . 1 . . . A 578 GLU N . 18490 1 262 . 1 1 27 27 ALA H H 1 7.681 0.001 . 1 . . . A 579 ALA H . 18490 1 263 . 1 1 27 27 ALA HA H 1 4.314 0.001 . 1 . . . A 579 ALA HA . 18490 1 264 . 1 1 27 27 ALA HB1 H 1 1.152 0.001 . 1 . . . A 579 ALA HB1 . 18490 1 265 . 1 1 27 27 ALA HB2 H 1 1.152 0.001 . 1 . . . A 579 ALA HB2 . 18490 1 266 . 1 1 27 27 ALA HB3 H 1 1.152 0.001 . 1 . . . A 579 ALA HB3 . 18490 1 267 . 1 1 27 27 ALA CA C 13 49.142 0.000 . 1 . . . A 579 ALA CA . 18490 1 268 . 1 1 27 27 ALA CB C 13 19.563 0.000 . 1 . . . A 579 ALA CB . 18490 1 269 . 1 1 27 27 ALA N N 15 117.488 0.000 . 1 . . . A 579 ALA N . 18490 1 270 . 1 1 28 28 LEU H H 1 8.860 0.005 . 1 . . . A 580 LEU H . 18490 1 271 . 1 1 28 28 LEU HA H 1 4.540 0.000 . 1 . . . A 580 LEU HA . 18490 1 272 . 1 1 28 28 LEU HB2 H 1 1.555 0.001 . 1 . . . A 580 LEU HB2 . 18490 1 273 . 1 1 28 28 LEU HB3 H 1 1.555 0.001 . 1 . . . A 580 LEU HB3 . 18490 1 274 . 1 1 28 28 LEU HG H 1 1.538 0.000 . 1 . . . A 580 LEU HG . 18490 1 275 . 1 1 28 28 LEU HD11 H 1 0.751 0.005 . 2 . . . A 580 LEU HD11 . 18490 1 276 . 1 1 28 28 LEU HD12 H 1 0.751 0.005 . 2 . . . A 580 LEU HD12 . 18490 1 277 . 1 1 28 28 LEU HD13 H 1 0.751 0.005 . 2 . . . A 580 LEU HD13 . 18490 1 278 . 1 1 28 28 LEU HD21 H 1 0.734 0.001 . 2 . . . A 580 LEU HD21 . 18490 1 279 . 1 1 28 28 LEU HD22 H 1 0.734 0.001 . 2 . . . A 580 LEU HD22 . 18490 1 280 . 1 1 28 28 LEU HD23 H 1 0.734 0.001 . 2 . . . A 580 LEU HD23 . 18490 1 281 . 1 1 28 28 LEU CA C 13 50.734 0.000 . 1 . . . A 580 LEU CA . 18490 1 282 . 1 1 28 28 LEU CB C 13 39.607 0.002 . 1 . . . A 580 LEU CB . 18490 1 283 . 1 1 28 28 LEU CG C 13 26.451 0.000 . 1 . . . A 580 LEU CG . 18490 1 284 . 1 1 28 28 LEU CD1 C 13 22.819 0.000 . 1 . . . A 580 LEU CD1 . 18490 1 285 . 1 1 28 28 LEU CD2 C 13 22.813 0.000 . 1 . . . A 580 LEU CD2 . 18490 1 286 . 1 1 28 28 LEU N N 15 122.399 0.000 . 1 . . . A 580 LEU N . 18490 1 287 . 1 1 29 29 HIS H H 1 7.867 0.001 . 1 . . . A 581 HIS H . 18490 1 288 . 1 1 29 29 HIS N N 15 123.783 0.000 . 1 . . . A 581 HIS N . 18490 1 289 . 1 1 30 30 SER H H 1 7.731 0.002 . 1 . . . A 582 SER H . 18490 1 290 . 1 1 30 30 SER N N 15 109.799 0.000 . 1 . . . A 582 SER N . 18490 1 291 . 1 1 31 31 SER HA H 1 4.191 0.000 . 1 . . . A 583 SER HA . 18490 1 292 . 1 1 31 31 SER HB2 H 1 3.932 0.003 . 1 . . . A 583 SER HB2 . 18490 1 293 . 1 1 31 31 SER HB3 H 1 3.932 0.003 . 1 . . . A 583 SER HB3 . 18490 1 294 . 1 1 31 31 SER CA C 13 57.135 0.000 . 1 . . . A 583 SER CA . 18490 1 295 . 1 1 31 31 SER CB C 13 61.202 0.000 . 1 . . . A 583 SER CB . 18490 1 296 . 1 1 32 32 GLY H H 1 8.017 0.000 . 1 . . . A 584 GLY H . 18490 1 297 . 1 1 32 32 GLY HA2 H 1 4.114 0.004 . 2 . . . A 584 GLY HA2 . 18490 1 298 . 1 1 32 32 GLY HA3 H 1 3.830 0.005 . 2 . . . A 584 GLY HA3 . 18490 1 299 . 1 1 32 32 GLY CA C 13 43.284 0.027 . 1 . . . A 584 GLY CA . 18490 1 300 . 1 1 32 32 GLY N N 15 108.532 0.000 . 1 . . . A 584 GLY N . 18490 1 301 . 1 1 33 33 MET H H 1 8.057 0.000 . 1 . . . A 585 MET H . 18490 1 302 . 1 1 33 33 MET HA H 1 4.637 0.000 . 1 . . . A 585 MET HA . 18490 1 303 . 1 1 33 33 MET HB2 H 1 1.932 0.024 . 1 . . . A 585 MET HB2 . 18490 1 304 . 1 1 33 33 MET HB3 H 1 1.932 0.024 . 1 . . . A 585 MET HB3 . 18490 1 305 . 1 1 33 33 MET HG2 H 1 2.519 0.004 . 1 . . . A 585 MET HG2 . 18490 1 306 . 1 1 33 33 MET HG3 H 1 2.519 0.004 . 1 . . . A 585 MET HG3 . 18490 1 307 . 1 1 33 33 MET HE1 H 1 1.958 0.001 . 1 . . . A 585 MET HE1 . 18490 1 308 . 1 1 33 33 MET HE2 H 1 1.958 0.001 . 1 . . . A 585 MET HE2 . 18490 1 309 . 1 1 33 33 MET HE3 H 1 1.958 0.001 . 1 . . . A 585 MET HE3 . 18490 1 310 . 1 1 33 33 MET CA C 13 53.230 0.000 . 1 . . . A 585 MET CA . 18490 1 311 . 1 1 33 33 MET CB C 13 31.595 0.045 . 1 . . . A 585 MET CB . 18490 1 312 . 1 1 33 33 MET CG C 13 29.287 0.000 . 1 . . . A 585 MET CG . 18490 1 313 . 1 1 33 33 MET CE C 13 14.020 0.000 . 1 . . . A 585 MET CE . 18490 1 314 . 1 1 33 33 MET N N 15 113.817 0.000 . 1 . . . A 585 MET N . 18490 1 315 . 1 1 34 34 THR H H 1 7.014 0.000 . 1 . . . A 586 THR H . 18490 1 316 . 1 1 34 34 THR HA H 1 3.936 0.000 . 1 . . . A 586 THR HA . 18490 1 317 . 1 1 34 34 THR HB H 1 3.893 0.001 . 1 . . . A 586 THR HB . 18490 1 318 . 1 1 34 34 THR HG21 H 1 0.812 0.001 . 1 . . . A 586 THR HG21 . 18490 1 319 . 1 1 34 34 THR HG22 H 1 0.812 0.001 . 1 . . . A 586 THR HG22 . 18490 1 320 . 1 1 34 34 THR HG23 H 1 0.812 0.001 . 1 . . . A 586 THR HG23 . 18490 1 321 . 1 1 34 34 THR CA C 13 55.762 0.000 . 1 . . . A 586 THR CA . 18490 1 322 . 1 1 34 34 THR CB C 13 70.532 0.000 . 1 . . . A 586 THR CB . 18490 1 323 . 1 1 34 34 THR CG2 C 13 19.437 0.000 . 1 . . . A 586 THR CG2 . 18490 1 324 . 1 1 34 34 THR N N 15 107.993 0.000 . 1 . . . A 586 THR N . 18490 1 325 . 1 1 35 35 ALA H H 1 9.110 0.008 . 1 . . . A 587 ALA H . 18490 1 326 . 1 1 35 35 ALA HA H 1 4.796 0.002 . 1 . . . A 587 ALA HA . 18490 1 327 . 1 1 35 35 ALA HB1 H 1 0.957 0.004 . 1 . . . A 587 ALA HB1 . 18490 1 328 . 1 1 35 35 ALA HB2 H 1 0.957 0.004 . 1 . . . A 587 ALA HB2 . 18490 1 329 . 1 1 35 35 ALA HB3 H 1 0.957 0.004 . 1 . . . A 587 ALA HB3 . 18490 1 330 . 1 1 35 35 ALA CA C 13 47.732 0.000 . 1 . . . A 587 ALA CA . 18490 1 331 . 1 1 35 35 ALA CB C 13 19.913 0.012 . 1 . . . A 587 ALA CB . 18490 1 332 . 1 1 35 35 ALA N N 15 122.076 0.000 . 1 . . . A 587 ALA N . 18490 1 333 . 1 1 36 36 VAL H H 1 8.656 0.009 . 1 . . . A 588 VAL H . 18490 1 334 . 1 1 36 36 VAL HA H 1 4.674 0.001 . 1 . . . A 588 VAL HA . 18490 1 335 . 1 1 36 36 VAL HB H 1 1.684 0.002 . 1 . . . A 588 VAL HB . 18490 1 336 . 1 1 36 36 VAL HG11 H 1 0.791 0.006 . 1 . . . A 588 VAL HG11 . 18490 1 337 . 1 1 36 36 VAL HG12 H 1 0.791 0.006 . 1 . . . A 588 VAL HG12 . 18490 1 338 . 1 1 36 36 VAL HG13 H 1 0.791 0.006 . 1 . . . A 588 VAL HG13 . 18490 1 339 . 1 1 36 36 VAL HG21 H 1 0.792 0.005 . 1 . . . A 588 VAL HG21 . 18490 1 340 . 1 1 36 36 VAL HG22 H 1 0.792 0.005 . 1 . . . A 588 VAL HG22 . 18490 1 341 . 1 1 36 36 VAL HG23 H 1 0.792 0.005 . 1 . . . A 588 VAL HG23 . 18490 1 342 . 1 1 36 36 VAL CA C 13 59.314 0.000 . 1 . . . A 588 VAL CA . 18490 1 343 . 1 1 36 36 VAL CB C 13 29.945 0.001 . 1 . . . A 588 VAL CB . 18490 1 344 . 1 1 36 36 VAL CG1 C 13 18.829 0.000 . 1 . . . A 588 VAL CG1 . 18490 1 345 . 1 1 36 36 VAL CG2 C 13 18.829 0.000 . 1 . . . A 588 VAL CG2 . 18490 1 346 . 1 1 36 36 VAL N N 15 120.263 0.000 . 1 . . . A 588 VAL N . 18490 1 347 . 1 1 37 37 VAL H H 1 9.082 0.007 . 1 . . . A 589 VAL H . 18490 1 348 . 1 1 37 37 VAL HA H 1 4.873 0.000 . 1 . . . A 589 VAL HA . 18490 1 349 . 1 1 37 37 VAL HB H 1 1.229 0.008 . 1 . . . A 589 VAL HB . 18490 1 350 . 1 1 37 37 VAL HG11 H 1 0.261 0.005 . 2 . . . A 589 VAL HG11 . 18490 1 351 . 1 1 37 37 VAL HG12 H 1 0.261 0.005 . 2 . . . A 589 VAL HG12 . 18490 1 352 . 1 1 37 37 VAL HG13 H 1 0.261 0.005 . 2 . . . A 589 VAL HG13 . 18490 1 353 . 1 1 37 37 VAL HG21 H 1 -0.006 0.003 . 2 . . . A 589 VAL HG21 . 18490 1 354 . 1 1 37 37 VAL HG22 H 1 -0.006 0.003 . 2 . . . A 589 VAL HG22 . 18490 1 355 . 1 1 37 37 VAL HG23 H 1 -0.006 0.003 . 2 . . . A 589 VAL HG23 . 18490 1 356 . 1 1 37 37 VAL CA C 13 54.971 0.000 . 1 . . . A 589 VAL CA . 18490 1 357 . 1 1 37 37 VAL CB C 13 31.584 0.017 . 1 . . . A 589 VAL CB . 18490 1 358 . 1 1 37 37 VAL CG1 C 13 18.267 0.004 . 1 . . . A 589 VAL CG1 . 18490 1 359 . 1 1 37 37 VAL CG2 C 13 15.444 0.014 . 1 . . . A 589 VAL CG2 . 18490 1 360 . 1 1 37 37 VAL N N 15 120.768 0.000 . 1 . . . A 589 VAL N . 18490 1 361 . 1 1 38 38 LYS H H 1 8.534 0.013 . 1 . . . A 590 LYS H . 18490 1 362 . 1 1 38 38 LYS HA H 1 4.425 0.004 . 1 . . . A 590 LYS HA . 18490 1 363 . 1 1 38 38 LYS HB2 H 1 1.326 0.030 . 2 . . . A 590 LYS HB2 . 18490 1 364 . 1 1 38 38 LYS HB3 H 1 1.010 0.002 . 2 . . . A 590 LYS HB3 . 18490 1 365 . 1 1 38 38 LYS HG2 H 1 0.128 0.003 . 2 . . . A 590 LYS HG2 . 18490 1 366 . 1 1 38 38 LYS HG3 H 1 0.305 0.002 . 2 . . . A 590 LYS HG3 . 18490 1 367 . 1 1 38 38 LYS HD2 H 1 1.176 0.001 . 2 . . . A 590 LYS HD2 . 18490 1 368 . 1 1 38 38 LYS HD3 H 1 1.272 0.002 . 2 . . . A 590 LYS HD3 . 18490 1 369 . 1 1 38 38 LYS HE2 H 1 2.460 0.001 . 2 . . . A 590 LYS HE2 . 18490 1 370 . 1 1 38 38 LYS HE3 H 1 2.548 0.001 . 2 . . . A 590 LYS HE3 . 18490 1 371 . 1 1 38 38 LYS CA C 13 50.850 0.024 . 1 . . . A 590 LYS CA . 18490 1 372 . 1 1 38 38 LYS CB C 13 32.552 0.021 . 1 . . . A 590 LYS CB . 18490 1 373 . 1 1 38 38 LYS CG C 13 21.487 0.027 . 1 . . . A 590 LYS CG . 18490 1 374 . 1 1 38 38 LYS CD C 13 26.492 0.031 . 1 . . . A 590 LYS CD . 18490 1 375 . 1 1 38 38 LYS CE C 13 39.216 0.065 . 1 . . . A 590 LYS CE . 18490 1 376 . 1 1 38 38 LYS N N 15 121.105 0.000 . 1 . . . A 590 LYS N . 18490 1 377 . 1 1 39 39 PHE H H 1 8.511 0.003 . 1 . . . A 591 PHE H . 18490 1 378 . 1 1 39 39 PHE HA H 1 4.325 0.033 . 1 . . . A 591 PHE HA . 18490 1 379 . 1 1 39 39 PHE HB2 H 1 2.951 0.004 . 1 . . . A 591 PHE HB2 . 18490 1 380 . 1 1 39 39 PHE HB3 H 1 2.951 0.004 . 1 . . . A 591 PHE HB3 . 18490 1 381 . 1 1 39 39 PHE HD1 H 1 7.068 0.002 . 1 . . . A 591 PHE HD1 . 18490 1 382 . 1 1 39 39 PHE HD2 H 1 7.068 0.002 . 1 . . . A 591 PHE HD2 . 18490 1 383 . 1 1 39 39 PHE HE1 H 1 7.072 0.003 . 1 . . . A 591 PHE HE1 . 18490 1 384 . 1 1 39 39 PHE HE2 H 1 7.072 0.003 . 1 . . . A 591 PHE HE2 . 18490 1 385 . 1 1 39 39 PHE CA C 13 57.189 0.043 . 1 . . . A 591 PHE CA . 18490 1 386 . 1 1 39 39 PHE CB C 13 35.700 0.064 . 1 . . . A 591 PHE CB . 18490 1 387 . 1 1 39 39 PHE CD1 C 13 128.849 0.000 . 1 . . . A 591 PHE CD1 . 18490 1 388 . 1 1 39 39 PHE CD2 C 13 128.849 0.000 . 1 . . . A 591 PHE CD2 . 18490 1 389 . 1 1 39 39 PHE CE1 C 13 128.851 0.000 . 1 . . . A 591 PHE CE1 . 18490 1 390 . 1 1 39 39 PHE CE2 C 13 128.851 0.000 . 1 . . . A 591 PHE CE2 . 18490 1 391 . 1 1 39 39 PHE N N 15 126.314 0.000 . 1 . . . A 591 PHE N . 18490 1 392 . 1 1 40 40 ILE H H 1 7.677 0.003 . 1 . . . A 592 ILE H . 18490 1 393 . 1 1 40 40 ILE HA H 1 3.475 0.000 . 1 . . . A 592 ILE HA . 18490 1 394 . 1 1 40 40 ILE HB H 1 1.554 0.001 . 1 . . . A 592 ILE HB . 18490 1 395 . 1 1 40 40 ILE HG12 H 1 0.975 0.000 . 2 . . . A 592 ILE HG12 . 18490 1 396 . 1 1 40 40 ILE HG13 H 1 1.263 0.004 . 2 . . . A 592 ILE HG13 . 18490 1 397 . 1 1 40 40 ILE HG21 H 1 0.695 0.000 . 1 . . . A 592 ILE HG21 . 18490 1 398 . 1 1 40 40 ILE HG22 H 1 0.695 0.000 . 1 . . . A 592 ILE HG22 . 18490 1 399 . 1 1 40 40 ILE HG23 H 1 0.695 0.000 . 1 . . . A 592 ILE HG23 . 18490 1 400 . 1 1 40 40 ILE HD11 H 1 0.592 0.000 . 1 . . . A 592 ILE HD11 . 18490 1 401 . 1 1 40 40 ILE HD12 H 1 0.592 0.000 . 1 . . . A 592 ILE HD12 . 18490 1 402 . 1 1 40 40 ILE HD13 H 1 0.592 0.000 . 1 . . . A 592 ILE HD13 . 18490 1 403 . 1 1 40 40 ILE CA C 13 61.510 0.077 . 1 . . . A 592 ILE CA . 18490 1 404 . 1 1 40 40 ILE CB C 13 35.178 0.003 . 1 . . . A 592 ILE CB . 18490 1 405 . 1 1 40 40 ILE CG1 C 13 25.184 0.022 . 1 . . . A 592 ILE CG1 . 18490 1 406 . 1 1 40 40 ILE CG2 C 13 15.057 0.002 . 1 . . . A 592 ILE CG2 . 18490 1 407 . 1 1 40 40 ILE CD1 C 13 9.672 0.003 . 1 . . . A 592 ILE CD1 . 18490 1 408 . 1 1 40 40 ILE N N 15 124.308 0.000 . 1 . . . A 592 ILE N . 18490 1 409 . 1 1 41 41 ASP H H 1 9.043 0.006 . 1 . . . A 593 ASP H . 18490 1 410 . 1 1 41 41 ASP N N 15 119.217 0.000 . 1 . . . A 593 ASP N . 18490 1 411 . 1 1 42 42 TYR HA H 1 4.683 0.000 . 1 . . . A 594 TYR HA . 18490 1 412 . 1 1 42 42 TYR HD1 H 1 6.677 0.002 . 1 . . . A 594 TYR HD1 . 18490 1 413 . 1 1 42 42 TYR HD2 H 1 6.677 0.002 . 1 . . . A 594 TYR HD2 . 18490 1 414 . 1 1 42 42 TYR HE1 H 1 6.372 0.001 . 1 . . . A 594 TYR HE1 . 18490 1 415 . 1 1 42 42 TYR HE2 H 1 6.372 0.001 . 1 . . . A 594 TYR HE2 . 18490 1 416 . 1 1 42 42 TYR CD1 C 13 129.706 0.074 . 1 . . . A 594 TYR CD1 . 18490 1 417 . 1 1 42 42 TYR CD2 C 13 129.706 0.074 . 1 . . . A 594 TYR CD2 . 18490 1 418 . 1 1 42 42 TYR CE1 C 13 115.447 0.006 . 1 . . . A 594 TYR CE1 . 18490 1 419 . 1 1 42 42 TYR CE2 C 13 115.447 0.006 . 1 . . . A 594 TYR CE2 . 18490 1 420 . 1 1 43 43 GLY H H 1 8.036 0.003 . 1 . . . A 595 GLY H . 18490 1 421 . 1 1 43 43 GLY HA2 H 1 3.952 0.005 . 2 . . . A 595 GLY HA2 . 18490 1 422 . 1 1 43 43 GLY HA3 H 1 3.375 0.004 . 2 . . . A 595 GLY HA3 . 18490 1 423 . 1 1 43 43 GLY CA C 13 43.136 0.022 . 1 . . . A 595 GLY CA . 18490 1 424 . 1 1 43 43 GLY N N 15 106.446 0.000 . 1 . . . A 595 GLY N . 18490 1 425 . 1 1 44 44 ASN H H 1 8.520 0.003 . 1 . . . A 596 ASN H . 18490 1 426 . 1 1 44 44 ASN HA H 1 4.672 0.005 . 1 . . . A 596 ASN HA . 18490 1 427 . 1 1 44 44 ASN HB2 H 1 2.739 0.010 . 1 . . . A 596 ASN HB2 . 18490 1 428 . 1 1 44 44 ASN HB3 H 1 2.739 0.010 . 1 . . . A 596 ASN HB3 . 18490 1 429 . 1 1 44 44 ASN CA C 13 50.263 0.000 . 1 . . . A 596 ASN CA . 18490 1 430 . 1 1 44 44 ASN CB C 13 35.429 0.000 . 1 . . . A 596 ASN CB . 18490 1 431 . 1 1 44 44 ASN N N 15 114.398 0.000 . 1 . . . A 596 ASN N . 18490 1 432 . 1 1 45 45 TYR H H 1 8.650 0.009 . 1 . . . A 597 TYR H . 18490 1 433 . 1 1 45 45 TYR HA H 1 5.584 0.001 . 1 . . . A 597 TYR HA . 18490 1 434 . 1 1 45 45 TYR HB2 H 1 2.699 0.001 . 2 . . . A 597 TYR HB2 . 18490 1 435 . 1 1 45 45 TYR HB3 H 1 2.475 0.001 . 2 . . . A 597 TYR HB3 . 18490 1 436 . 1 1 45 45 TYR HD1 H 1 6.867 0.001 . 1 . . . A 597 TYR HD1 . 18490 1 437 . 1 1 45 45 TYR HD2 H 1 6.867 0.001 . 1 . . . A 597 TYR HD2 . 18490 1 438 . 1 1 45 45 TYR HE1 H 1 6.638 0.003 . 1 . . . A 597 TYR HE1 . 18490 1 439 . 1 1 45 45 TYR HE2 H 1 6.638 0.003 . 1 . . . A 597 TYR HE2 . 18490 1 440 . 1 1 45 45 TYR CA C 13 53.901 0.000 . 1 . . . A 597 TYR CA . 18490 1 441 . 1 1 45 45 TYR CB C 13 37.432 0.089 . 1 . . . A 597 TYR CB . 18490 1 442 . 1 1 45 45 TYR CD1 C 13 130.258 0.015 . 1 . . . A 597 TYR CD1 . 18490 1 443 . 1 1 45 45 TYR CD2 C 13 130.258 0.015 . 1 . . . A 597 TYR CD2 . 18490 1 444 . 1 1 45 45 TYR CE1 C 13 115.229 0.010 . 1 . . . A 597 TYR CE1 . 18490 1 445 . 1 1 45 45 TYR CE2 C 13 115.229 0.010 . 1 . . . A 597 TYR CE2 . 18490 1 446 . 1 1 45 45 TYR N N 15 120.716 0.000 . 1 . . . A 597 TYR N . 18490 1 447 . 1 1 46 46 GLU H H 1 8.822 0.003 . 1 . . . A 598 GLU H . 18490 1 448 . 1 1 46 46 GLU HA H 1 4.868 0.001 . 1 . . . A 598 GLU HA . 18490 1 449 . 1 1 46 46 GLU HB2 H 1 2.388 0.002 . 1 . . . A 598 GLU HB2 . 18490 1 450 . 1 1 46 46 GLU HB3 H 1 2.388 0.002 . 1 . . . A 598 GLU HB3 . 18490 1 451 . 1 1 46 46 GLU HG2 H 1 1.549 0.009 . 1 . . . A 598 GLU HG2 . 18490 1 452 . 1 1 46 46 GLU HG3 H 1 1.549 0.009 . 1 . . . A 598 GLU HG3 . 18490 1 453 . 1 1 46 46 GLU CA C 13 51.210 0.000 . 1 . . . A 598 GLU CA . 18490 1 454 . 1 1 46 46 GLU CB C 13 32.241 0.069 . 1 . . . A 598 GLU CB . 18490 1 455 . 1 1 46 46 GLU CG C 13 32.131 0.000 . 1 . . . A 598 GLU CG . 18490 1 456 . 1 1 46 46 GLU N N 15 118.075 0.000 . 1 . . . A 598 GLU N . 18490 1 457 . 1 1 47 47 GLU H H 1 8.892 0.005 . 1 . . . A 599 GLU H . 18490 1 458 . 1 1 47 47 GLU HA H 1 5.015 0.001 . 1 . . . A 599 GLU HA . 18490 1 459 . 1 1 47 47 GLU HB2 H 1 1.765 0.065 . 1 . . . A 599 GLU HB2 . 18490 1 460 . 1 1 47 47 GLU HB3 H 1 1.765 0.065 . 1 . . . A 599 GLU HB3 . 18490 1 461 . 1 1 47 47 GLU HG2 H 1 1.992 0.000 . 1 . . . A 599 GLU HG2 . 18490 1 462 . 1 1 47 47 GLU HG3 H 1 1.992 0.000 . 1 . . . A 599 GLU HG3 . 18490 1 463 . 1 1 47 47 GLU CA C 13 52.847 0.000 . 1 . . . A 599 GLU CA . 18490 1 464 . 1 1 47 47 GLU CB C 13 27.852 0.061 . 1 . . . A 599 GLU CB . 18490 1 465 . 1 1 47 47 GLU N N 15 122.692 0.000 . 1 . . . A 599 GLU N . 18490 1 466 . 1 1 48 48 VAL H H 1 9.280 0.005 . 1 . . . A 600 VAL H . 18490 1 467 . 1 1 48 48 VAL HA H 1 4.585 0.001 . 1 . . . A 600 VAL HA . 18490 1 468 . 1 1 48 48 VAL HB H 1 1.840 0.000 . 1 . . . A 600 VAL HB . 18490 1 469 . 1 1 48 48 VAL HG11 H 1 0.984 0.002 . 1 . . . A 600 VAL HG11 . 18490 1 470 . 1 1 48 48 VAL HG12 H 1 0.984 0.002 . 1 . . . A 600 VAL HG12 . 18490 1 471 . 1 1 48 48 VAL HG13 H 1 0.984 0.002 . 1 . . . A 600 VAL HG13 . 18490 1 472 . 1 1 48 48 VAL HG21 H 1 0.984 0.002 . 1 . . . A 600 VAL HG21 . 18490 1 473 . 1 1 48 48 VAL HG22 H 1 0.984 0.002 . 1 . . . A 600 VAL HG22 . 18490 1 474 . 1 1 48 48 VAL HG23 H 1 0.984 0.002 . 1 . . . A 600 VAL HG23 . 18490 1 475 . 1 1 48 48 VAL CA C 13 56.932 0.000 . 1 . . . A 600 VAL CA . 18490 1 476 . 1 1 48 48 VAL CB C 13 33.645 0.055 . 1 . . . A 600 VAL CB . 18490 1 477 . 1 1 48 48 VAL CG1 C 13 19.821 0.000 . 1 . . . A 600 VAL CG1 . 18490 1 478 . 1 1 48 48 VAL CG2 C 13 19.821 0.000 . 1 . . . A 600 VAL CG2 . 18490 1 479 . 1 1 48 48 VAL N N 15 125.296 0.000 . 1 . . . A 600 VAL N . 18490 1 480 . 1 1 49 49 LEU H H 1 8.628 0.001 . 1 . . . A 601 LEU H . 18490 1 481 . 1 1 49 49 LEU HA H 1 4.349 0.002 . 1 . . . A 601 LEU HA . 18490 1 482 . 1 1 49 49 LEU HB2 H 1 1.553 0.002 . 1 . . . A 601 LEU HB2 . 18490 1 483 . 1 1 49 49 LEU HB3 H 1 1.553 0.002 . 1 . . . A 601 LEU HB3 . 18490 1 484 . 1 1 49 49 LEU HG H 1 1.538 0.000 . 1 . . . A 601 LEU HG . 18490 1 485 . 1 1 49 49 LEU HD11 H 1 0.736 0.002 . 1 . . . A 601 LEU HD11 . 18490 1 486 . 1 1 49 49 LEU HD12 H 1 0.736 0.002 . 1 . . . A 601 LEU HD12 . 18490 1 487 . 1 1 49 49 LEU HD13 H 1 0.736 0.002 . 1 . . . A 601 LEU HD13 . 18490 1 488 . 1 1 49 49 LEU HD21 H 1 0.736 0.002 . 1 . . . A 601 LEU HD21 . 18490 1 489 . 1 1 49 49 LEU HD22 H 1 0.736 0.002 . 1 . . . A 601 LEU HD22 . 18490 1 490 . 1 1 49 49 LEU HD23 H 1 0.736 0.002 . 1 . . . A 601 LEU HD23 . 18490 1 491 . 1 1 49 49 LEU CA C 13 52.625 0.000 . 1 . . . A 601 LEU CA . 18490 1 492 . 1 1 49 49 LEU CB C 13 39.834 0.021 . 1 . . . A 601 LEU CB . 18490 1 493 . 1 1 49 49 LEU CG C 13 26.451 0.000 . 1 . . . A 601 LEU CG . 18490 1 494 . 1 1 49 49 LEU CD1 C 13 22.813 0.000 . 1 . . . A 601 LEU CD1 . 18490 1 495 . 1 1 49 49 LEU CD2 C 13 22.813 0.000 . 1 . . . A 601 LEU CD2 . 18490 1 496 . 1 1 49 49 LEU N N 15 123.816 0.000 . 1 . . . A 601 LEU N . 18490 1 497 . 1 1 50 50 LEU H H 1 8.183 0.000 . 1 . . . A 602 LEU H . 18490 1 498 . 1 1 50 50 LEU HA H 1 3.729 0.001 . 1 . . . A 602 LEU HA . 18490 1 499 . 1 1 50 50 LEU HB2 H 1 1.523 0.002 . 1 . . . A 602 LEU HB2 . 18490 1 500 . 1 1 50 50 LEU HB3 H 1 1.523 0.002 . 1 . . . A 602 LEU HB3 . 18490 1 501 . 1 1 50 50 LEU HG H 1 1.276 0.002 . 1 . . . A 602 LEU HG . 18490 1 502 . 1 1 50 50 LEU HD11 H 1 0.669 0.005 . 1 . . . A 602 LEU HD11 . 18490 1 503 . 1 1 50 50 LEU HD12 H 1 0.669 0.005 . 1 . . . A 602 LEU HD12 . 18490 1 504 . 1 1 50 50 LEU HD13 H 1 0.669 0.005 . 1 . . . A 602 LEU HD13 . 18490 1 505 . 1 1 50 50 LEU HD21 H 1 0.669 0.005 . 1 . . . A 602 LEU HD21 . 18490 1 506 . 1 1 50 50 LEU HD22 H 1 0.669 0.005 . 1 . . . A 602 LEU HD22 . 18490 1 507 . 1 1 50 50 LEU HD23 H 1 0.669 0.005 . 1 . . . A 602 LEU HD23 . 18490 1 508 . 1 1 50 50 LEU CA C 13 55.206 0.000 . 1 . . . A 602 LEU CA . 18490 1 509 . 1 1 50 50 LEU CB C 13 38.582 0.004 . 1 . . . A 602 LEU CB . 18490 1 510 . 1 1 50 50 LEU CG C 13 26.053 0.019 . 1 . . . A 602 LEU CG . 18490 1 511 . 1 1 50 50 LEU CD1 C 13 21.431 0.010 . 1 . . . A 602 LEU CD1 . 18490 1 512 . 1 1 50 50 LEU CD2 C 13 21.431 0.010 . 1 . . . A 602 LEU CD2 . 18490 1 513 . 1 1 50 50 LEU N N 15 123.131 0.000 . 1 . . . A 602 LEU N . 18490 1 514 . 1 1 51 51 SER H H 1 7.731 0.002 . 1 . . . A 603 SER H . 18490 1 515 . 1 1 51 51 SER HA H 1 4.228 0.002 . 1 . . . A 603 SER HA . 18490 1 516 . 1 1 51 51 SER HB2 H 1 3.974 0.003 . 2 . . . A 603 SER HB2 . 18490 1 517 . 1 1 51 51 SER HB3 H 1 3.703 0.001 . 2 . . . A 603 SER HB3 . 18490 1 518 . 1 1 51 51 SER CA C 13 57.025 0.000 . 1 . . . A 603 SER CA . 18490 1 519 . 1 1 51 51 SER CB C 13 59.696 0.043 . 1 . . . A 603 SER CB . 18490 1 520 . 1 1 51 51 SER N N 15 109.799 0.000 . 1 . . . A 603 SER N . 18490 1 521 . 1 1 52 52 ASN H H 1 7.952 0.001 . 1 . . . A 604 ASN H . 18490 1 522 . 1 1 52 52 ASN HA H 1 5.134 0.001 . 1 . . . A 604 ASN HA . 18490 1 523 . 1 1 52 52 ASN HB2 H 1 3.220 0.001 . 2 . . . A 604 ASN HB2 . 18490 1 524 . 1 1 52 52 ASN HB3 H 1 2.750 0.004 . 2 . . . A 604 ASN HB3 . 18490 1 525 . 1 1 52 52 ASN CA C 13 49.901 0.000 . 1 . . . A 604 ASN CA . 18490 1 526 . 1 1 52 52 ASN CB C 13 36.854 0.073 . 1 . . . A 604 ASN CB . 18490 1 527 . 1 1 52 52 ASN N N 15 120.726 0.000 . 1 . . . A 604 ASN N . 18490 1 528 . 1 1 53 53 ILE H H 1 7.162 0.001 . 1 . . . A 605 ILE H . 18490 1 529 . 1 1 53 53 ILE HA H 1 5.011 0.001 . 1 . . . A 605 ILE HA . 18490 1 530 . 1 1 53 53 ILE HB H 1 1.305 0.000 . 1 . . . A 605 ILE HB . 18490 1 531 . 1 1 53 53 ILE HG12 H 1 1.171 0.001 . 1 . . . A 605 ILE HG12 . 18490 1 532 . 1 1 53 53 ILE HG13 H 1 1.171 0.001 . 1 . . . A 605 ILE HG13 . 18490 1 533 . 1 1 53 53 ILE HG21 H 1 -0.001 0.006 . 1 . . . A 605 ILE HG21 . 18490 1 534 . 1 1 53 53 ILE HG22 H 1 -0.001 0.006 . 1 . . . A 605 ILE HG22 . 18490 1 535 . 1 1 53 53 ILE HG23 H 1 -0.001 0.006 . 1 . . . A 605 ILE HG23 . 18490 1 536 . 1 1 53 53 ILE HD11 H 1 -0.418 0.001 . 1 . . . A 605 ILE HD11 . 18490 1 537 . 1 1 53 53 ILE HD12 H 1 -0.418 0.001 . 1 . . . A 605 ILE HD12 . 18490 1 538 . 1 1 53 53 ILE HD13 H 1 -0.418 0.001 . 1 . . . A 605 ILE HD13 . 18490 1 539 . 1 1 53 53 ILE CA C 13 57.761 0.000 . 1 . . . A 605 ILE CA . 18490 1 540 . 1 1 53 53 ILE CB C 13 37.464 0.000 . 1 . . . A 605 ILE CB . 18490 1 541 . 1 1 53 53 ILE CG1 C 13 24.181 0.000 . 1 . . . A 605 ILE CG1 . 18490 1 542 . 1 1 53 53 ILE CG2 C 13 15.417 0.000 . 1 . . . A 605 ILE CG2 . 18490 1 543 . 1 1 53 53 ILE CD1 C 13 9.974 0.000 . 1 . . . A 605 ILE CD1 . 18490 1 544 . 1 1 53 53 ILE N N 15 115.439 0.000 . 1 . . . A 605 ILE N . 18490 1 545 . 1 1 54 54 LYS H H 1 9.245 0.005 . 1 . . . A 606 LYS H . 18490 1 546 . 1 1 54 54 LYS N N 15 122.864 0.000 . 1 . . . A 606 LYS N . 18490 1 547 . 1 1 55 55 PRO HA H 1 4.870 0.001 . 1 . . . A 607 PRO HA . 18490 1 548 . 1 1 55 55 PRO HB2 H 1 2.232 0.001 . 2 . . . A 607 PRO HB2 . 18490 1 549 . 1 1 55 55 PRO HB3 H 1 1.782 0.001 . 2 . . . A 607 PRO HB3 . 18490 1 550 . 1 1 55 55 PRO CA C 13 59.942 0.000 . 1 . . . A 607 PRO CA . 18490 1 551 . 1 1 55 55 PRO CB C 13 29.980 0.017 . 1 . . . A 607 PRO CB . 18490 1 552 . 1 1 56 56 ILE H H 1 8.363 0.005 . 1 . . . A 608 ILE H . 18490 1 553 . 1 1 56 56 ILE HA H 1 3.910 0.001 . 1 . . . A 608 ILE HA . 18490 1 554 . 1 1 56 56 ILE HB H 1 1.626 0.001 . 1 . . . A 608 ILE HB . 18490 1 555 . 1 1 56 56 ILE HG12 H 1 1.109 0.007 . 1 . . . A 608 ILE HG12 . 18490 1 556 . 1 1 56 56 ILE HG13 H 1 1.109 0.007 . 1 . . . A 608 ILE HG13 . 18490 1 557 . 1 1 56 56 ILE HG21 H 1 0.612 0.001 . 1 . . . A 608 ILE HG21 . 18490 1 558 . 1 1 56 56 ILE HG22 H 1 0.612 0.001 . 1 . . . A 608 ILE HG22 . 18490 1 559 . 1 1 56 56 ILE HG23 H 1 0.612 0.001 . 1 . . . A 608 ILE HG23 . 18490 1 560 . 1 1 56 56 ILE HD11 H 1 0.338 0.001 . 1 . . . A 608 ILE HD11 . 18490 1 561 . 1 1 56 56 ILE HD12 H 1 0.338 0.001 . 1 . . . A 608 ILE HD12 . 18490 1 562 . 1 1 56 56 ILE HD13 H 1 0.338 0.001 . 1 . . . A 608 ILE HD13 . 18490 1 563 . 1 1 56 56 ILE CA C 13 58.905 0.000 . 1 . . . A 608 ILE CA . 18490 1 564 . 1 1 56 56 ILE CB C 13 34.964 0.000 . 1 . . . A 608 ILE CB . 18490 1 565 . 1 1 56 56 ILE CG1 C 13 24.697 0.000 . 1 . . . A 608 ILE CG1 . 18490 1 566 . 1 1 56 56 ILE CG2 C 13 14.807 0.000 . 1 . . . A 608 ILE CG2 . 18490 1 567 . 1 1 56 56 ILE CD1 C 13 9.780 0.000 . 1 . . . A 608 ILE CD1 . 18490 1 568 . 1 1 56 56 ILE N N 15 118.715 0.000 . 1 . . . A 608 ILE N . 18490 1 569 . 1 1 57 57 LEU H H 1 8.034 0.000 . 1 . . . A 609 LEU H . 18490 1 570 . 1 1 57 57 LEU HA H 1 4.251 0.001 . 1 . . . A 609 LEU HA . 18490 1 571 . 1 1 57 57 LEU HB2 H 1 1.318 0.006 . 1 . . . A 609 LEU HB2 . 18490 1 572 . 1 1 57 57 LEU HB3 H 1 1.318 0.006 . 1 . . . A 609 LEU HB3 . 18490 1 573 . 1 1 57 57 LEU CA C 13 52.007 0.025 . 1 . . . A 609 LEU CA . 18490 1 574 . 1 1 57 57 LEU CB C 13 39.827 0.000 . 1 . . . A 609 LEU CB . 18490 1 575 . 1 1 57 57 LEU N N 15 124.451 0.000 . 1 . . . A 609 LEU N . 18490 1 stop_ save_