################################### # 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 52512 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name HDAg1-60 _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 CP' . . . 52512 1 2 '2D 1H-13C CP' . . . 52512 1 3 '2D 1H-15N CP' . . . 52512 1 4 '2D 1H-13C CP' . . . 52512 1 5 '2D 1H-15N CP' . . . 52512 1 6 '2D 1H-13C CP' . . . 52512 1 7 3D-hNCAH . . . 52512 1 8 3D-hCANH . . . 52512 1 9 3D-hCONH . . . 52512 1 10 3D-hCONH . . . 52512 1 11 3D-hCONH . . . 52512 1 12 3D-hNcoCAHA . . . 52512 1 13 3D-hCAcoNH . . . 52512 1 14 3D-hCAcoNH . . . 52512 1 15 3D-hCAcoNH . . . 52512 1 16 3D-hCCH . . . 52512 1 17 3D-hCCH . . . 52512 1 18 3D-hNCAH . . . 52512 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52512 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 13 13 ARG C C 13 178.114 0.000 . 1 . . . . . 13 ARG C . 52512 1 2 . 1 . 1 14 14 GLU H H 1 8.425 0.000 . 1 . . . . . 14 GLU H . 52512 1 3 . 1 . 1 14 14 GLU HA H 1 3.819 0.000 . 1 . . . . . 14 GLU HA . 52512 1 4 . 1 . 1 14 14 GLU C C 13 177.829 0.000 . 1 . . . . . 14 GLU C . 52512 1 5 . 1 . 1 14 14 GLU CA C 13 58.762 0.000 . 1 . . . . . 14 GLU CA . 52512 1 6 . 1 . 1 14 14 GLU N N 15 119.133 0.001 . 1 . . . . . 14 GLU N . 52512 1 7 . 1 . 1 15 15 GLU H H 1 7.448 0.000 . 1 . . . . . 15 GLU H . 52512 1 8 . 1 . 1 15 15 GLU HA H 1 3.943 0.000 . 1 . . . . . 15 GLU HA . 52512 1 9 . 1 . 1 15 15 GLU C C 13 179.252 0.000 . 1 . . . . . 15 GLU C . 52512 1 10 . 1 . 1 15 15 GLU CA C 13 59.521 0.000 . 1 . . . . . 15 GLU CA . 52512 1 11 . 1 . 1 15 15 GLU N N 15 117.189 0.000 . 1 . . . . . 15 GLU N . 52512 1 12 . 1 . 1 16 16 ILE H H 1 7.627 0.000 . 1 . . . . . 16 ILE H . 52512 1 13 . 1 . 1 16 16 ILE HA H 1 3.885 0.000 . 1 . . . . . 16 ILE HA . 52512 1 14 . 1 . 1 16 16 ILE HB H 1 2.361 0.000 . 1 . . . . . 16 ILE HB . 52512 1 15 . 1 . 1 16 16 ILE HG12 H 1 1.495 0.000 . 2 . . . . . 16 ILE HG12 . 52512 1 16 . 1 . 1 16 16 ILE HG13 H 1 1.729 0.000 . 2 . . . . . 16 ILE HG13 . 52512 1 17 . 1 . 1 16 16 ILE HG21 H 1 0.859 0.000 . 1 . . . . . 16 ILE HG21 . 52512 1 18 . 1 . 1 16 16 ILE HG22 H 1 0.859 0.000 . 1 . . . . . 16 ILE HG22 . 52512 1 19 . 1 . 1 16 16 ILE HG23 H 1 0.859 0.000 . 1 . . . . . 16 ILE HG23 . 52512 1 20 . 1 . 1 16 16 ILE HD11 H 1 0.922 0.000 . 1 . . . . . 16 ILE HD11 . 52512 1 21 . 1 . 1 16 16 ILE HD12 H 1 0.922 0.000 . 1 . . . . . 16 ILE HD12 . 52512 1 22 . 1 . 1 16 16 ILE HD13 H 1 0.922 0.000 . 1 . . . . . 16 ILE HD13 . 52512 1 23 . 1 . 1 16 16 ILE C C 13 178.147 0.000 . 1 . . . . . 16 ILE C . 52512 1 24 . 1 . 1 16 16 ILE CA C 13 63.508 0.000 . 1 . . . . . 16 ILE CA . 52512 1 25 . 1 . 1 16 16 ILE CB C 13 36.902 0.000 . 1 . . . . . 16 ILE CB . 52512 1 26 . 1 . 1 16 16 ILE CG1 C 13 28.327 0.012 . 1 . . . . . 16 ILE CG1 . 52512 1 27 . 1 . 1 16 16 ILE CG2 C 13 18.538 0.000 . 1 . . . . . 16 ILE CG2 . 52512 1 28 . 1 . 1 16 16 ILE CD1 C 13 11.629 0.000 . 1 . . . . . 16 ILE CD1 . 52512 1 29 . 1 . 1 16 16 ILE N N 15 120.765 0.000 . 1 . . . . . 16 ILE N . 52512 1 30 . 1 . 1 17 17 LEU H H 1 8.980 0.000 . 1 . . . . . 17 LEU H . 52512 1 31 . 1 . 1 17 17 LEU HA H 1 4.295 0.000 . 1 . . . . . 17 LEU HA . 52512 1 32 . 1 . 1 17 17 LEU HB2 H 1 1.522 0.000 . 2 . . . . . 17 LEU HB2 . 52512 1 33 . 1 . 1 17 17 LEU HB3 H 1 1.670 0.000 . 2 . . . . . 17 LEU HB3 . 52512 1 34 . 1 . 1 17 17 LEU HG H 1 1.267 0.000 . 1 . . . . . 17 LEU HG . 52512 1 35 . 1 . 1 17 17 LEU HD11 H 1 1.298 0.000 . 1 . . . . . 17 LEU HD11 . 52512 1 36 . 1 . 1 17 17 LEU HD12 H 1 1.298 0.000 . 1 . . . . . 17 LEU HD12 . 52512 1 37 . 1 . 1 17 17 LEU HD13 H 1 1.298 0.000 . 1 . . . . . 17 LEU HD13 . 52512 1 38 . 1 . 1 17 17 LEU C C 13 178.387 0.000 . 1 . . . . . 17 LEU C . 52512 1 39 . 1 . 1 17 17 LEU CA C 13 58.456 0.000 . 1 . . . . . 17 LEU CA . 52512 1 40 . 1 . 1 17 17 LEU CB C 13 42.106 0.000 . 1 . . . . . 17 LEU CB . 52512 1 41 . 1 . 1 17 17 LEU CG C 13 27.235 0.000 . 1 . . . . . 17 LEU CG . 52512 1 42 . 1 . 1 17 17 LEU CD1 C 13 25.319 0.000 . 1 . . . . . 17 LEU CD1 . 52512 1 43 . 1 . 1 17 17 LEU N N 15 120.834 0.000 . 1 . . . . . 17 LEU N . 52512 1 44 . 1 . 1 18 18 GLU H H 1 8.495 0.000 . 1 . . . . . 18 GLU H . 52512 1 45 . 1 . 1 18 18 GLU HA H 1 3.912 0.000 . 1 . . . . . 18 GLU HA . 52512 1 46 . 1 . 1 18 18 GLU C C 13 178.676 0.000 . 1 . . . . . 18 GLU C . 52512 1 47 . 1 . 1 18 18 GLU CA C 13 60.516 0.000 . 1 . . . . . 18 GLU CA . 52512 1 48 . 1 . 1 18 18 GLU N N 15 118.614 0.000 . 1 . . . . . 18 GLU N . 52512 1 49 . 1 . 1 19 19 GLN H H 1 7.806 0.000 . 1 . . . . . 19 GLN H . 52512 1 50 . 1 . 1 19 19 GLN HA H 1 4.096 0.000 . 1 . . . . . 19 GLN HA . 52512 1 51 . 1 . 1 19 19 GLN HB2 H 1 2.325 0.000 . 2 . . . . . 19 GLN HB2 . 52512 1 52 . 1 . 1 19 19 GLN HB3 H 1 2.071 0.000 . 2 . . . . . 19 GLN HB3 . 52512 1 53 . 1 . 1 19 19 GLN HG2 H 1 2.427 0.000 . 2 . . . . . 19 GLN HG2 . 52512 1 54 . 1 . 1 19 19 GLN HG3 H 1 2.671 0.000 . 2 . . . . . 19 GLN HG3 . 52512 1 55 . 1 . 1 19 19 GLN C C 13 179.240 0.000 . 1 . . . . . 19 GLN C . 52512 1 56 . 1 . 1 19 19 GLN CA C 13 58.858 0.000 . 1 . . . . . 19 GLN CA . 52512 1 57 . 1 . 1 19 19 GLN CB C 13 29.152 0.000 . 1 . . . . . 19 GLN CB . 52512 1 58 . 1 . 1 19 19 GLN CG C 13 34.169 0.004 . 1 . . . . . 19 GLN CG . 52512 1 59 . 1 . 1 19 19 GLN N N 15 118.460 0.001 . 1 . . . . . 19 GLN N . 52512 1 60 . 1 . 1 20 20 TRP H H 1 9.050 0.000 . 1 . . . . . 20 TRP H . 52512 1 61 . 1 . 1 20 20 TRP HA H 1 4.067 0.000 . 1 . . . . . 20 TRP HA . 52512 1 62 . 1 . 1 20 20 TRP HB2 H 1 3.039 0.000 . 2 . . . . . 20 TRP HB2 . 52512 1 63 . 1 . 1 20 20 TRP HB3 H 1 3.616 0.000 . 2 . . . . . 20 TRP HB3 . 52512 1 64 . 1 . 1 20 20 TRP C C 13 177.155 0.000 . 1 . . . . . 20 TRP C . 52512 1 65 . 1 . 1 20 20 TRP CA C 13 62.331 0.000 . 1 . . . . . 20 TRP CA . 52512 1 66 . 1 . 1 20 20 TRP CB C 13 29.231 0.028 . 1 . . . . . 20 TRP CB . 52512 1 67 . 1 . 1 20 20 TRP N N 15 124.355 0.001 . 1 . . . . . 20 TRP N . 52512 1 68 . 1 . 1 21 21 VAL H H 1 9.278 0.000 . 1 . . . . . 21 VAL H . 52512 1 69 . 1 . 1 21 21 VAL HA H 1 3.331 0.000 . 1 . . . . . 21 VAL HA . 52512 1 70 . 1 . 1 21 21 VAL HB H 1 2.344 0.000 . 1 . . . . . 21 VAL HB . 52512 1 71 . 1 . 1 21 21 VAL HG11 H 1 1.127 0.000 . 2 . . . . . 21 VAL HG11 . 52512 1 72 . 1 . 1 21 21 VAL HG12 H 1 1.127 0.000 . 2 . . . . . 21 VAL HG12 . 52512 1 73 . 1 . 1 21 21 VAL HG13 H 1 1.127 0.000 . 2 . . . . . 21 VAL HG13 . 52512 1 74 . 1 . 1 21 21 VAL HG21 H 1 1.392 0.000 . 2 . . . . . 21 VAL HG21 . 52512 1 75 . 1 . 1 21 21 VAL HG22 H 1 1.392 0.000 . 2 . . . . . 21 VAL HG22 . 52512 1 76 . 1 . 1 21 21 VAL HG23 H 1 1.392 0.000 . 2 . . . . . 21 VAL HG23 . 52512 1 77 . 1 . 1 21 21 VAL C C 13 178.804 0.000 . 1 . . . . . 21 VAL C . 52512 1 78 . 1 . 1 21 21 VAL CA C 13 66.458 0.000 . 1 . . . . . 21 VAL CA . 52512 1 79 . 1 . 1 21 21 VAL CB C 13 31.943 0.000 . 1 . . . . . 21 VAL CB . 52512 1 80 . 1 . 1 21 21 VAL CG1 C 13 22.070 0.000 . 2 . . . . . 21 VAL CG1 . 52512 1 81 . 1 . 1 21 21 VAL CG2 C 13 23.929 0.000 . 2 . . . . . 21 VAL CG2 . 52512 1 82 . 1 . 1 21 21 VAL N N 15 117.717 0.000 . 1 . . . . . 21 VAL N . 52512 1 83 . 1 . 1 22 22 ALA H H 1 8.207 0.000 . 1 . . . . . 22 ALA H . 52512 1 84 . 1 . 1 22 22 ALA HA H 1 4.105 0.000 . 1 . . . . . 22 ALA HA . 52512 1 85 . 1 . 1 22 22 ALA HB1 H 1 1.485 0.000 . 1 . . . . . 22 ALA HB1 . 52512 1 86 . 1 . 1 22 22 ALA HB2 H 1 1.485 0.000 . 1 . . . . . 22 ALA HB2 . 52512 1 87 . 1 . 1 22 22 ALA HB3 H 1 1.485 0.000 . 1 . . . . . 22 ALA HB3 . 52512 1 88 . 1 . 1 22 22 ALA C C 13 181.358 0.000 . 1 . . . . . 22 ALA C . 52512 1 89 . 1 . 1 22 22 ALA CA C 13 55.080 0.000 . 1 . . . . . 22 ALA CA . 52512 1 90 . 1 . 1 22 22 ALA CB C 13 18.214 0.000 . 1 . . . . . 22 ALA CB . 52512 1 91 . 1 . 1 22 22 ALA N N 15 121.814 0.000 . 1 . . . . . 22 ALA N . 52512 1 92 . 1 . 1 23 23 GLY H H 1 8.298 0.000 . 1 . . . . . 23 GLY H . 52512 1 93 . 1 . 1 23 23 GLY HA2 H 1 3.470 0.000 . 2 . . . . . 23 GLY HA2 . 52512 1 94 . 1 . 1 23 23 GLY HA3 H 1 3.986 0.000 . 2 . . . . . 23 GLY HA3 . 52512 1 95 . 1 . 1 23 23 GLY C C 13 174.882 0.000 . 1 . . . . . 23 GLY C . 52512 1 96 . 1 . 1 23 23 GLY CA C 13 47.127 0.003 . 1 . . . . . 23 GLY CA . 52512 1 97 . 1 . 1 23 23 GLY N N 15 108.345 0.001 . 1 . . . . . 23 GLY N . 52512 1 98 . 1 . 1 24 24 ARG H H 1 8.150 0.000 . 1 . . . . . 24 ARG H . 52512 1 99 . 1 . 1 24 24 ARG HA H 1 3.534 0.003 . 1 . . . . . 24 ARG HA . 52512 1 100 . 1 . 1 24 24 ARG HB2 H 1 1.626 0.024 . 1 . . . . . 24 ARG HB2 . 52512 1 101 . 1 . 1 24 24 ARG HD2 H 1 2.865 0.000 . 1 . . . . . 24 ARG HD2 . 52512 1 102 . 1 . 1 24 24 ARG C C 13 178.899 0.000 . 1 . . . . . 24 ARG C . 52512 1 103 . 1 . 1 24 24 ARG CA C 13 59.087 0.058 . 1 . . . . . 24 ARG CA . 52512 1 104 . 1 . 1 24 24 ARG CB C 13 29.626 0.064 . 1 . . . . . 24 ARG CB . 52512 1 105 . 1 . 1 24 24 ARG CG C 13 27.005 0.000 . 1 . . . . . 24 ARG CG . 52512 1 106 . 1 . 1 24 24 ARG CD C 13 41.982 0.000 . 1 . . . . . 24 ARG CD . 52512 1 107 . 1 . 1 24 24 ARG N N 15 122.705 0.001 . 1 . . . . . 24 ARG N . 52512 1 108 . 1 . 1 25 25 LYS H H 1 7.817 0.000 . 1 . . . . . 25 LYS H . 52512 1 109 . 1 . 1 25 25 LYS HA H 1 3.906 0.000 . 1 . . . . . 25 LYS HA . 52512 1 110 . 1 . 1 25 25 LYS HG2 H 1 1.297 0.000 . 1 . . . . . 25 LYS HG2 . 52512 1 111 . 1 . 1 25 25 LYS C C 13 177.997 0.000 . 1 . . . . . 25 LYS C . 52512 1 112 . 1 . 1 25 25 LYS CA C 13 59.115 0.000 . 1 . . . . . 25 LYS CA . 52512 1 113 . 1 . 1 25 25 LYS CB C 13 32.536 0.000 . 1 . . . . . 25 LYS CB . 52512 1 114 . 1 . 1 25 25 LYS CG C 13 24.368 0.000 . 1 . . . . . 25 LYS CG . 52512 1 115 . 1 . 1 25 25 LYS CD C 13 28.976 0.000 . 1 . . . . . 25 LYS CD . 52512 1 116 . 1 . 1 25 25 LYS N N 15 121.426 0.000 . 1 . . . . . 25 LYS N . 52512 1 117 . 1 . 1 26 26 LYS H H 1 7.636 0.000 . 1 . . . . . 26 LYS H . 52512 1 118 . 1 . 1 26 26 LYS C C 13 179.117 0.000 . 1 . . . . . 26 LYS C . 52512 1 119 . 1 . 1 26 26 LYS CA C 13 59.592 0.000 . 1 . . . . . 26 LYS CA . 52512 1 120 . 1 . 1 26 26 LYS N N 15 118.943 0.000 . 1 . . . . . 26 LYS N . 52512 1 121 . 1 . 1 27 27 LEU H H 1 8.104 0.000 . 1 . . . . . 27 LEU H . 52512 1 122 . 1 . 1 27 27 LEU HA H 1 4.049 0.000 . 1 . . . . . 27 LEU HA . 52512 1 123 . 1 . 1 27 27 LEU HB2 H 1 1.762 0.000 . 1 . . . . . 27 LEU HB2 . 52512 1 124 . 1 . 1 27 27 LEU HG H 1 1.894 0.000 . 1 . . . . . 27 LEU HG . 52512 1 125 . 1 . 1 27 27 LEU HD11 H 1 0.757 0.000 . 2 . . . . . 27 LEU HD11 . 52512 1 126 . 1 . 1 27 27 LEU HD12 H 1 0.757 0.000 . 2 . . . . . 27 LEU HD12 . 52512 1 127 . 1 . 1 27 27 LEU HD13 H 1 0.757 0.000 . 2 . . . . . 27 LEU HD13 . 52512 1 128 . 1 . 1 27 27 LEU HD21 H 1 0.654 0.000 . 2 . . . . . 27 LEU HD21 . 52512 1 129 . 1 . 1 27 27 LEU HD22 H 1 0.654 0.000 . 2 . . . . . 27 LEU HD22 . 52512 1 130 . 1 . 1 27 27 LEU HD23 H 1 0.654 0.000 . 2 . . . . . 27 LEU HD23 . 52512 1 131 . 1 . 1 27 27 LEU C C 13 179.461 0.000 . 1 . . . . . 27 LEU C . 52512 1 132 . 1 . 1 27 27 LEU CA C 13 57.904 0.000 . 1 . . . . . 27 LEU CA . 52512 1 133 . 1 . 1 27 27 LEU CB C 13 42.566 0.000 . 1 . . . . . 27 LEU CB . 52512 1 134 . 1 . 1 27 27 LEU CG C 13 26.735 0.000 . 1 . . . . . 27 LEU CG . 52512 1 135 . 1 . 1 27 27 LEU CD1 C 13 24.324 0.000 . 2 . . . . . 27 LEU CD1 . 52512 1 136 . 1 . 1 27 27 LEU CD2 C 13 26.725 0.000 . 2 . . . . . 27 LEU CD2 . 52512 1 137 . 1 . 1 27 27 LEU N N 15 119.339 0.000 . 1 . . . . . 27 LEU N . 52512 1 138 . 1 . 1 28 28 GLU H H 1 8.557 0.000 . 1 . . . . . 28 GLU H . 52512 1 139 . 1 . 1 28 28 GLU HA H 1 3.912 0.000 . 1 . . . . . 28 GLU HA . 52512 1 140 . 1 . 1 28 28 GLU HB2 H 1 2.207 0.000 . 2 . . . . . 28 GLU HB2 . 52512 1 141 . 1 . 1 28 28 GLU HB3 H 1 2.005 0.000 . 2 . . . . . 28 GLU HB3 . 52512 1 142 . 1 . 1 28 28 GLU HG2 H 1 2.154 0.000 . 2 . . . . . 28 GLU HG2 . 52512 1 143 . 1 . 1 28 28 GLU HG3 H 1 2.454 0.000 . 2 . . . . . 28 GLU HG3 . 52512 1 144 . 1 . 1 28 28 GLU C C 13 179.133 0.000 . 1 . . . . . 28 GLU C . 52512 1 145 . 1 . 1 28 28 GLU CA C 13 60.034 0.000 . 1 . . . . . 28 GLU CA . 52512 1 146 . 1 . 1 28 28 GLU CB C 13 29.553 0.007 . 1 . . . . . 28 GLU CB . 52512 1 147 . 1 . 1 28 28 GLU CG C 13 36.229 0.005 . 1 . . . . . 28 GLU CG . 52512 1 148 . 1 . 1 28 28 GLU N N 15 117.957 0.000 . 1 . . . . . 28 GLU N . 52512 1 149 . 1 . 1 29 29 GLU H H 1 8.836 0.000 . 1 . . . . . 29 GLU H . 52512 1 150 . 1 . 1 29 29 GLU HA H 1 3.868 0.000 . 1 . . . . . 29 GLU HA . 52512 1 151 . 1 . 1 29 29 GLU C C 13 179.196 0.000 . 1 . . . . . 29 GLU C . 52512 1 152 . 1 . 1 29 29 GLU CA C 13 60.633 0.000 . 1 . . . . . 29 GLU CA . 52512 1 153 . 1 . 1 29 29 GLU N N 15 120.408 0.001 . 1 . . . . . 29 GLU N . 52512 1 154 . 1 . 1 30 30 LEU H H 1 7.793 0.000 . 1 . . . . . 30 LEU H . 52512 1 155 . 1 . 1 30 30 LEU HA H 1 3.843 0.000 . 1 . . . . . 30 LEU HA . 52512 1 156 . 1 . 1 30 30 LEU C C 13 178.096 0.000 . 1 . . . . . 30 LEU C . 52512 1 157 . 1 . 1 30 30 LEU CA C 13 59.434 0.000 . 1 . . . . . 30 LEU CA . 52512 1 158 . 1 . 1 30 30 LEU CB C 13 42.198 0.000 . 1 . . . . . 30 LEU CB . 52512 1 159 . 1 . 1 30 30 LEU N N 15 119.957 0.002 . 1 . . . . . 30 LEU N . 52512 1 160 . 1 . 1 31 31 GLU H H 1 7.852 0.000 . 1 . . . . . 31 GLU H . 52512 1 161 . 1 . 1 31 31 GLU HA H 1 4.102 0.000 . 1 . . . . . 31 GLU HA . 52512 1 162 . 1 . 1 31 31 GLU CA C 13 59.668 0.000 . 1 . . . . . 31 GLU CA . 52512 1 163 . 1 . 1 31 31 GLU N N 15 119.057 0.002 . 1 . . . . . 31 GLU N . 52512 1 164 . 1 . 1 32 32 ARG C C 13 179.002 0.000 . 1 . . . . . 32 ARG C . 52512 1 165 . 1 . 1 32 32 ARG CA C 13 59.493 0.000 . 1 . . . . . 32 ARG CA . 52512 1 166 . 1 . 1 33 33 ASP H H 1 8.373 0.000 . 1 . . . . . 33 ASP H . 52512 1 167 . 1 . 1 33 33 ASP HA H 1 4.519 0.000 . 1 . . . . . 33 ASP HA . 52512 1 168 . 1 . 1 33 33 ASP HB2 H 1 2.589 0.000 . 2 . . . . . 33 ASP HB2 . 52512 1 169 . 1 . 1 33 33 ASP HB3 H 1 2.789 0.000 . 2 . . . . . 33 ASP HB3 . 52512 1 170 . 1 . 1 33 33 ASP C C 13 179.924 0.000 . 1 . . . . . 33 ASP C . 52512 1 171 . 1 . 1 33 33 ASP CA C 13 57.118 0.000 . 1 . . . . . 33 ASP CA . 52512 1 172 . 1 . 1 33 33 ASP CB C 13 40.265 0.001 . 1 . . . . . 33 ASP CB . 52512 1 173 . 1 . 1 33 33 ASP N N 15 121.538 0.000 . 1 . . . . . 33 ASP N . 52512 1 174 . 1 . 1 34 34 LEU H H 1 9.198 0.000 . 1 . . . . . 34 LEU H . 52512 1 175 . 1 . 1 34 34 LEU HA H 1 3.841 0.000 . 1 . . . . . 34 LEU HA . 52512 1 176 . 1 . 1 34 34 LEU C C 13 179.117 0.000 . 1 . . . . . 34 LEU C . 52512 1 177 . 1 . 1 34 34 LEU CA C 13 59.243 0.000 . 1 . . . . . 34 LEU CA . 52512 1 178 . 1 . 1 34 34 LEU CB C 13 42.062 0.000 . 1 . . . . . 34 LEU CB . 52512 1 179 . 1 . 1 34 34 LEU N N 15 126.214 0.000 . 1 . . . . . 34 LEU N . 52512 1 180 . 1 . 1 35 35 ARG C C 13 178.752 0.000 . 1 . . . . . 35 ARG C . 52512 1 181 . 1 . 1 35 35 ARG CA C 13 59.554 0.000 . 1 . . . . . 35 ARG CA . 52512 1 182 . 1 . 1 36 36 LYS H H 1 7.862 0.000 . 1 . . . . . 36 LYS H . 52512 1 183 . 1 . 1 36 36 LYS HA H 1 4.065 0.005 . 1 . . . . . 36 LYS HA . 52512 1 184 . 1 . 1 36 36 LYS HB2 H 1 1.812 0.011 . 2 . . . . . 36 LYS HB2 . 52512 1 185 . 1 . 1 36 36 LYS HB3 H 1 2.059 0.003 . 2 . . . . . 36 LYS HB3 . 52512 1 186 . 1 . 1 36 36 LYS HG2 H 1 1.376 0.000 . 1 . . . . . 36 LYS HG2 . 52512 1 187 . 1 . 1 36 36 LYS HD2 H 1 1.679 0.003 . 1 . . . . . 36 LYS HD2 . 52512 1 188 . 1 . 1 36 36 LYS HE2 H 1 2.861 0.000 . 1 . . . . . 36 LYS HE2 . 52512 1 189 . 1 . 1 36 36 LYS C C 13 179.327 0.000 . 1 . . . . . 36 LYS C . 52512 1 190 . 1 . 1 36 36 LYS CA C 13 58.348 0.026 . 1 . . . . . 36 LYS CA . 52512 1 191 . 1 . 1 36 36 LYS CB C 13 31.572 0.031 . 1 . . . . . 36 LYS CB . 52512 1 192 . 1 . 1 36 36 LYS CG C 13 24.374 0.000 . 1 . . . . . 36 LYS CG . 52512 1 193 . 1 . 1 36 36 LYS CD C 13 28.697 0.044 . 1 . . . . . 36 LYS CD . 52512 1 194 . 1 . 1 36 36 LYS CE C 13 42.037 0.000 . 1 . . . . . 36 LYS CE . 52512 1 195 . 1 . 1 36 36 LYS N N 15 120.327 0.000 . 1 . . . . . 36 LYS N . 52512 1 196 . 1 . 1 37 37 THR H H 1 8.397 0.000 . 1 . . . . . 37 THR H . 52512 1 197 . 1 . 1 37 37 THR HA H 1 3.806 0.002 . 1 . . . . . 37 THR HA . 52512 1 198 . 1 . 1 37 37 THR HB H 1 4.096 0.007 . 1 . . . . . 37 THR HB . 52512 1 199 . 1 . 1 37 37 THR HG21 H 1 1.088 0.000 . 1 . . . . . 37 THR HG21 . 52512 1 200 . 1 . 1 37 37 THR HG22 H 1 1.088 0.000 . 1 . . . . . 37 THR HG22 . 52512 1 201 . 1 . 1 37 37 THR HG23 H 1 1.088 0.000 . 1 . . . . . 37 THR HG23 . 52512 1 202 . 1 . 1 37 37 THR C C 13 176.126 0.000 . 1 . . . . . 37 THR C . 52512 1 203 . 1 . 1 37 37 THR CA C 13 67.681 0.005 . 1 . . . . . 37 THR CA . 52512 1 204 . 1 . 1 37 37 THR CB C 13 68.536 0.008 . 1 . . . . . 37 THR CB . 52512 1 205 . 1 . 1 37 37 THR CG2 C 13 21.673 0.000 . 1 . . . . . 37 THR CG2 . 52512 1 206 . 1 . 1 37 37 THR N N 15 118.470 0.000 . 1 . . . . . 37 THR N . 52512 1 207 . 1 . 1 38 38 LYS H H 1 8.571 0.000 . 1 . . . . . 38 LYS H . 52512 1 208 . 1 . 1 38 38 LYS HA H 1 3.810 0.000 . 1 . . . . . 38 LYS HA . 52512 1 209 . 1 . 1 38 38 LYS C C 13 178.096 0.000 . 1 . . . . . 38 LYS C . 52512 1 210 . 1 . 1 38 38 LYS CA C 13 60.739 0.001 . 1 . . . . . 38 LYS CA . 52512 1 211 . 1 . 1 38 38 LYS N N 15 121.225 0.000 . 1 . . . . . 38 LYS N . 52512 1 212 . 1 . 1 39 39 LYS H H 1 7.757 0.000 . 1 . . . . . 39 LYS H . 52512 1 213 . 1 . 1 39 39 LYS N N 15 119.000 0.000 . 1 . . . . . 39 LYS N . 52512 1 214 . 1 . 1 43 43 LYS C C 13 178.644 0.000 . 1 . . . . . 43 LYS C . 52512 1 215 . 1 . 1 43 43 LYS CA C 13 59.346 0.000 . 1 . . . . . 43 LYS CA . 52512 1 216 . 1 . 1 44 44 ILE H H 1 7.942 0.000 . 1 . . . . . 44 ILE H . 52512 1 217 . 1 . 1 44 44 ILE HA H 1 3.697 0.000 . 1 . . . . . 44 ILE HA . 52512 1 218 . 1 . 1 44 44 ILE HB H 1 1.969 0.000 . 1 . . . . . 44 ILE HB . 52512 1 219 . 1 . 1 44 44 ILE HG12 H 1 1.107 0.000 . 1 . . . . . 44 ILE HG12 . 52512 1 220 . 1 . 1 44 44 ILE HG21 H 1 0.913 0.000 . 1 . . . . . 44 ILE HG21 . 52512 1 221 . 1 . 1 44 44 ILE HG22 H 1 0.913 0.000 . 1 . . . . . 44 ILE HG22 . 52512 1 222 . 1 . 1 44 44 ILE HG23 H 1 0.913 0.000 . 1 . . . . . 44 ILE HG23 . 52512 1 223 . 1 . 1 44 44 ILE HD11 H 1 0.907 0.000 . 1 . . . . . 44 ILE HD11 . 52512 1 224 . 1 . 1 44 44 ILE HD12 H 1 0.907 0.000 . 1 . . . . . 44 ILE HD12 . 52512 1 225 . 1 . 1 44 44 ILE HD13 H 1 0.907 0.000 . 1 . . . . . 44 ILE HD13 . 52512 1 226 . 1 . 1 44 44 ILE C C 13 179.260 0.000 . 1 . . . . . 44 ILE C . 52512 1 227 . 1 . 1 44 44 ILE CA C 13 65.632 0.000 . 1 . . . . . 44 ILE CA . 52512 1 228 . 1 . 1 44 44 ILE CB C 13 38.399 0.000 . 1 . . . . . 44 ILE CB . 52512 1 229 . 1 . 1 44 44 ILE CG1 C 13 29.297 0.000 . 1 . . . . . 44 ILE CG1 . 52512 1 230 . 1 . 1 44 44 ILE CG2 C 13 18.122 0.000 . 1 . . . . . 44 ILE CG2 . 52512 1 231 . 1 . 1 44 44 ILE CD1 C 13 14.201 0.000 . 1 . . . . . 44 ILE CD1 . 52512 1 232 . 1 . 1 44 44 ILE N N 15 117.170 0.001 . 1 . . . . . 44 ILE N . 52512 1 233 . 1 . 1 45 45 GLU H H 1 8.354 0.000 . 1 . . . . . 45 GLU H . 52512 1 234 . 1 . 1 45 45 GLU HA H 1 3.619 0.000 . 1 . . . . . 45 GLU HA . 52512 1 235 . 1 . 1 45 45 GLU HB2 H 1 1.873 0.000 . 2 . . . . . 45 GLU HB2 . 52512 1 236 . 1 . 1 45 45 GLU HB3 H 1 2.086 0.000 . 2 . . . . . 45 GLU HB3 . 52512 1 237 . 1 . 1 45 45 GLU HG2 H 1 1.868 0.000 . 2 . . . . . 45 GLU HG2 . 52512 1 238 . 1 . 1 45 45 GLU HG3 H 1 2.815 0.000 . 2 . . . . . 45 GLU HG3 . 52512 1 239 . 1 . 1 45 45 GLU C C 13 179.141 0.000 . 1 . . . . . 45 GLU C . 52512 1 240 . 1 . 1 45 45 GLU CA C 13 60.099 0.000 . 1 . . . . . 45 GLU CA . 52512 1 241 . 1 . 1 45 45 GLU CB C 13 28.891 0.000 . 1 . . . . . 45 GLU CB . 52512 1 242 . 1 . 1 45 45 GLU CG C 13 37.930 0.005 . 1 . . . . . 45 GLU CG . 52512 1 243 . 1 . 1 45 45 GLU N N 15 119.930 0.002 . 1 . . . . . 45 GLU N . 52512 1 244 . 1 . 1 46 46 ASP H H 1 8.770 0.000 . 1 . . . . . 46 ASP H . 52512 1 245 . 1 . 1 46 46 ASP HA H 1 4.263 0.000 . 1 . . . . . 46 ASP HA . 52512 1 246 . 1 . 1 46 46 ASP HB2 H 1 2.899 0.000 . 2 . . . . . 46 ASP HB2 . 52512 1 247 . 1 . 1 46 46 ASP HB3 H 1 2.592 0.000 . 2 . . . . . 46 ASP HB3 . 52512 1 248 . 1 . 1 46 46 ASP C C 13 178.609 0.000 . 1 . . . . . 46 ASP C . 52512 1 249 . 1 . 1 46 46 ASP CA C 13 57.077 0.000 . 1 . . . . . 46 ASP CA . 52512 1 250 . 1 . 1 46 46 ASP CB C 13 40.539 0.003 . 1 . . . . . 46 ASP CB . 52512 1 251 . 1 . 1 46 46 ASP N N 15 120.761 0.001 . 1 . . . . . 46 ASP N . 52512 1 252 . 1 . 1 47 47 GLU H H 1 7.658 0.000 . 1 . . . . . 47 GLU H . 52512 1 253 . 1 . 1 47 47 GLU HA H 1 4.174 0.000 . 1 . . . . . 47 GLU HA . 52512 1 254 . 1 . 1 47 47 GLU HB2 H 1 1.918 0.000 . 2 . . . . . 47 GLU HB2 . 52512 1 255 . 1 . 1 47 47 GLU HB3 H 1 2.061 0.000 . 2 . . . . . 47 GLU HB3 . 52512 1 256 . 1 . 1 47 47 GLU HG2 H 1 2.587 0.000 . 2 . . . . . 47 GLU HG2 . 52512 1 257 . 1 . 1 47 47 GLU HG3 H 1 2.232 0.000 . 2 . . . . . 47 GLU HG3 . 52512 1 258 . 1 . 1 47 47 GLU C C 13 176.108 0.000 . 1 . . . . . 47 GLU C . 52512 1 259 . 1 . 1 47 47 GLU CA C 13 56.945 0.000 . 1 . . . . . 47 GLU CA . 52512 1 260 . 1 . 1 47 47 GLU CB C 13 31.001 0.012 . 1 . . . . . 47 GLU CB . 52512 1 261 . 1 . 1 47 47 GLU CG C 13 36.956 0.006 . 1 . . . . . 47 GLU CG . 52512 1 262 . 1 . 1 47 47 GLU N N 15 114.708 0.000 . 1 . . . . . 47 GLU N . 52512 1 263 . 1 . 1 48 48 ASN H H 1 7.179 0.000 . 1 . . . . . 48 ASN H . 52512 1 264 . 1 . 1 48 48 ASN HA H 1 5.154 0.000 . 1 . . . . . 48 ASN HA . 52512 1 265 . 1 . 1 48 48 ASN HB2 H 1 2.381 0.000 . 1 . . . . . 48 ASN HB2 . 52512 1 266 . 1 . 1 48 48 ASN CA C 13 51.370 0.000 . 1 . . . . . 48 ASN CA . 52512 1 267 . 1 . 1 48 48 ASN CB C 13 38.970 0.000 . 1 . . . . . 48 ASN CB . 52512 1 268 . 1 . 1 48 48 ASN N N 15 116.100 0.000 . 1 . . . . . 48 ASN N . 52512 1 269 . 1 . 1 49 49 PRO HA H 1 4.322 0.000 . 1 . . . . . 49 PRO HA . 52512 1 270 . 1 . 1 49 49 PRO HB2 H 1 1.957 0.000 . 2 . . . . . 49 PRO HB2 . 52512 1 271 . 1 . 1 49 49 PRO HB3 H 1 2.369 0.000 . 2 . . . . . 49 PRO HB3 . 52512 1 272 . 1 . 1 49 49 PRO HG2 H 1 1.997 0.000 . 1 . . . . . 49 PRO HG2 . 52512 1 273 . 1 . 1 49 49 PRO HD2 H 1 3.827 0.000 . 2 . . . . . 49 PRO HD2 . 52512 1 274 . 1 . 1 49 49 PRO HD3 H 1 3.417 0.000 . 2 . . . . . 49 PRO HD3 . 52512 1 275 . 1 . 1 49 49 PRO C C 13 177.441 0.000 . 1 . . . . . 49 PRO C . 52512 1 276 . 1 . 1 49 49 PRO CA C 13 65.055 0.000 . 1 . . . . . 49 PRO CA . 52512 1 277 . 1 . 1 49 49 PRO CB C 13 31.518 0.003 . 1 . . . . . 49 PRO CB . 52512 1 278 . 1 . 1 49 49 PRO CG C 13 27.468 0.000 . 1 . . . . . 49 PRO CG . 52512 1 279 . 1 . 1 49 49 PRO CD C 13 50.499 0.002 . 1 . . . . . 49 PRO CD . 52512 1 280 . 1 . 1 50 50 TRP H H 1 6.846 0.000 . 1 . . . . . 50 TRP H . 52512 1 281 . 1 . 1 50 50 TRP HA H 1 4.521 0.000 . 1 . . . . . 50 TRP HA . 52512 1 282 . 1 . 1 50 50 TRP HB2 H 1 3.132 0.000 . 2 . . . . . 50 TRP HB2 . 52512 1 283 . 1 . 1 50 50 TRP HB3 H 1 3.470 0.000 . 2 . . . . . 50 TRP HB3 . 52512 1 284 . 1 . 1 50 50 TRP C C 13 178.322 0.000 . 1 . . . . . 50 TRP C . 52512 1 285 . 1 . 1 50 50 TRP CA C 13 56.048 0.000 . 1 . . . . . 50 TRP CA . 52512 1 286 . 1 . 1 50 50 TRP CB C 13 27.553 0.014 . 1 . . . . . 50 TRP CB . 52512 1 287 . 1 . 1 50 50 TRP N N 15 117.418 0.000 . 1 . . . . . 50 TRP N . 52512 1 288 . 1 . 1 51 51 LEU H H 1 7.267 0.000 . 1 . . . . . 51 LEU H . 52512 1 289 . 1 . 1 51 51 LEU HA H 1 3.254 0.000 . 1 . . . . . 51 LEU HA . 52512 1 290 . 1 . 1 51 51 LEU HB2 H 1 1.025 0.000 . 2 . . . . . 51 LEU HB2 . 52512 1 291 . 1 . 1 51 51 LEU HB3 H 1 0.095 0.000 . 2 . . . . . 51 LEU HB3 . 52512 1 292 . 1 . 1 51 51 LEU HG H 1 -0.071 0.000 . 1 . . . . . 51 LEU HG . 52512 1 293 . 1 . 1 51 51 LEU HD11 H 1 -0.547 0.000 . 2 . . . . . 51 LEU HD11 . 52512 1 294 . 1 . 1 51 51 LEU HD12 H 1 -0.547 0.000 . 2 . . . . . 51 LEU HD12 . 52512 1 295 . 1 . 1 51 51 LEU HD13 H 1 -0.547 0.000 . 2 . . . . . 51 LEU HD13 . 52512 1 296 . 1 . 1 51 51 LEU HD21 H 1 -0.509 0.000 . 2 . . . . . 51 LEU HD21 . 52512 1 297 . 1 . 1 51 51 LEU HD22 H 1 -0.509 0.000 . 2 . . . . . 51 LEU HD22 . 52512 1 298 . 1 . 1 51 51 LEU HD23 H 1 -0.509 0.000 . 2 . . . . . 51 LEU HD23 . 52512 1 299 . 1 . 1 51 51 LEU C C 13 179.266 0.000 . 1 . . . . . 51 LEU C . 52512 1 300 . 1 . 1 51 51 LEU CA C 13 57.440 0.000 . 1 . . . . . 51 LEU CA . 52512 1 301 . 1 . 1 51 51 LEU CB C 13 40.765 0.000 . 1 . . . . . 51 LEU CB . 52512 1 302 . 1 . 1 51 51 LEU CG C 13 26.145 0.000 . 1 . . . . . 51 LEU CG . 52512 1 303 . 1 . 1 51 51 LEU CD1 C 13 22.858 0.000 . 2 . . . . . 51 LEU CD1 . 52512 1 304 . 1 . 1 51 51 LEU CD2 C 13 26.166 0.000 . 2 . . . . . 51 LEU CD2 . 52512 1 305 . 1 . 1 51 51 LEU N N 15 124.145 0.000 . 1 . . . . . 51 LEU N . 52512 1 306 . 1 . 1 52 52 GLY H H 1 7.978 0.000 . 1 . . . . . 52 GLY H . 52512 1 307 . 1 . 1 52 52 GLY HA2 H 1 3.918 0.000 . 2 . . . . . 52 GLY HA2 . 52512 1 308 . 1 . 1 52 52 GLY HA3 H 1 3.508 0.000 . 2 . . . . . 52 GLY HA3 . 52512 1 309 . 1 . 1 52 52 GLY C C 13 176.595 0.000 . 1 . . . . . 52 GLY C . 52512 1 310 . 1 . 1 52 52 GLY CA C 13 47.261 0.000 . 1 . . . . . 52 GLY CA . 52512 1 311 . 1 . 1 52 52 GLY N N 15 107.843 0.000 . 1 . . . . . 52 GLY N . 52512 1 312 . 1 . 1 53 53 ASN H H 1 7.486 0.000 . 1 . . . . . 53 ASN H . 52512 1 313 . 1 . 1 53 53 ASN HA H 1 4.510 0.000 . 1 . . . . . 53 ASN HA . 52512 1 314 . 1 . 1 53 53 ASN HB2 H 1 2.931 0.000 . 2 . . . . . 53 ASN HB2 . 52512 1 315 . 1 . 1 53 53 ASN HB3 H 1 2.746 0.000 . 2 . . . . . 53 ASN HB3 . 52512 1 316 . 1 . 1 53 53 ASN C C 13 178.010 0.000 . 1 . . . . . 53 ASN C . 52512 1 317 . 1 . 1 53 53 ASN CA C 13 56.000 0.000 . 1 . . . . . 53 ASN CA . 52512 1 318 . 1 . 1 53 53 ASN CB C 13 38.325 0.013 . 1 . . . . . 53 ASN CB . 52512 1 319 . 1 . 1 53 53 ASN N N 15 119.398 0.000 . 1 . . . . . 53 ASN N . 52512 1 320 . 1 . 1 54 54 ILE H H 1 7.050 0.000 . 1 . . . . . 54 ILE H . 52512 1 321 . 1 . 1 54 54 ILE HA H 1 3.512 0.000 . 1 . . . . . 54 ILE HA . 52512 1 322 . 1 . 1 54 54 ILE HB H 1 2.053 0.000 . 1 . . . . . 54 ILE HB . 52512 1 323 . 1 . 1 54 54 ILE HG21 H 1 0.751 0.000 . 1 . . . . . 54 ILE HG21 . 52512 1 324 . 1 . 1 54 54 ILE HG22 H 1 0.751 0.000 . 1 . . . . . 54 ILE HG22 . 52512 1 325 . 1 . 1 54 54 ILE HG23 H 1 0.751 0.000 . 1 . . . . . 54 ILE HG23 . 52512 1 326 . 1 . 1 54 54 ILE C C 13 177.264 0.000 . 1 . . . . . 54 ILE C . 52512 1 327 . 1 . 1 54 54 ILE CA C 13 64.304 0.000 . 1 . . . . . 54 ILE CA . 52512 1 328 . 1 . 1 54 54 ILE CB C 13 35.485 0.000 . 1 . . . . . 54 ILE CB . 52512 1 329 . 1 . 1 54 54 ILE CG1 C 13 28.750 0.000 . 1 . . . . . 54 ILE CG1 . 52512 1 330 . 1 . 1 54 54 ILE CG2 C 13 16.662 0.000 . 1 . . . . . 54 ILE CG2 . 52512 1 331 . 1 . 1 54 54 ILE N N 15 119.496 0.000 . 1 . . . . . 54 ILE N . 52512 1 332 . 1 . 1 55 55 LYS H H 1 8.216 0.000 . 1 . . . . . 55 LYS H . 52512 1 333 . 1 . 1 55 55 LYS HA H 1 3.766 0.000 . 1 . . . . . 55 LYS HA . 52512 1 334 . 1 . 1 55 55 LYS C C 13 179.398 0.000 . 1 . . . . . 55 LYS C . 52512 1 335 . 1 . 1 55 55 LYS CA C 13 60.882 0.000 . 1 . . . . . 55 LYS CA . 52512 1 336 . 1 . 1 55 55 LYS N N 15 119.363 0.001 . 1 . . . . . 55 LYS N . 52512 1 337 . 1 . 1 56 56 GLY H H 1 7.692 0.000 . 1 . . . . . 56 GLY H . 52512 1 338 . 1 . 1 56 56 GLY HA2 H 1 3.800 0.000 . 2 . . . . . 56 GLY HA2 . 52512 1 339 . 1 . 1 56 56 GLY HA3 H 1 3.850 0.000 . 2 . . . . . 56 GLY HA3 . 52512 1 340 . 1 . 1 56 56 GLY C C 13 176.162 0.000 . 1 . . . . . 56 GLY C . 52512 1 341 . 1 . 1 56 56 GLY CA C 13 47.068 0.000 . 1 . . . . . 56 GLY CA . 52512 1 342 . 1 . 1 56 56 GLY N N 15 105.420 0.000 . 1 . . . . . 56 GLY N . 52512 1 343 . 1 . 1 57 57 ILE H H 1 7.432 0.000 . 1 . . . . . 57 ILE H . 52512 1 344 . 1 . 1 57 57 ILE HA H 1 3.610 0.000 . 1 . . . . . 57 ILE HA . 52512 1 345 . 1 . 1 57 57 ILE HB H 1 1.856 0.000 . 1 . . . . . 57 ILE HB . 52512 1 346 . 1 . 1 57 57 ILE HG12 H 1 0.917 0.000 . 1 . . . . . 57 ILE HG12 . 52512 1 347 . 1 . 1 57 57 ILE HD11 H 1 0.662 0.000 . 1 . . . . . 57 ILE HD11 . 52512 1 348 . 1 . 1 57 57 ILE HD12 H 1 0.662 0.000 . 1 . . . . . 57 ILE HD12 . 52512 1 349 . 1 . 1 57 57 ILE HD13 H 1 0.662 0.000 . 1 . . . . . 57 ILE HD13 . 52512 1 350 . 1 . 1 57 57 ILE C C 13 178.066 0.000 . 1 . . . . . 57 ILE C . 52512 1 351 . 1 . 1 57 57 ILE CA C 13 64.492 0.000 . 1 . . . . . 57 ILE CA . 52512 1 352 . 1 . 1 57 57 ILE CB C 13 38.393 0.000 . 1 . . . . . 57 ILE CB . 52512 1 353 . 1 . 1 57 57 ILE CG1 C 13 29.186 0.000 . 1 . . . . . 57 ILE CG1 . 52512 1 354 . 1 . 1 57 57 ILE CD1 C 13 14.618 0.000 . 1 . . . . . 57 ILE CD1 . 52512 1 355 . 1 . 1 57 57 ILE N N 15 122.985 0.000 . 1 . . . . . 57 ILE N . 52512 1 356 . 1 . 1 58 58 LEU H H 1 7.956 0.000 . 1 . . . . . 58 LEU H . 52512 1 357 . 1 . 1 58 58 LEU HA H 1 3.446 0.000 . 1 . . . . . 58 LEU HA . 52512 1 358 . 1 . 1 58 58 LEU HB2 H 1 1.877 0.000 . 1 . . . . . 58 LEU HB2 . 52512 1 359 . 1 . 1 58 58 LEU HG H 1 1.951 0.000 . 1 . . . . . 58 LEU HG . 52512 1 360 . 1 . 1 58 58 LEU HD11 H 1 0.584 0.000 . 1 . . . . . 58 LEU HD11 . 52512 1 361 . 1 . 1 58 58 LEU HD12 H 1 0.584 0.000 . 1 . . . . . 58 LEU HD12 . 52512 1 362 . 1 . 1 58 58 LEU HD13 H 1 0.584 0.000 . 1 . . . . . 58 LEU HD13 . 52512 1 363 . 1 . 1 58 58 LEU CA C 13 56.655 0.000 . 1 . . . . . 58 LEU CA . 52512 1 364 . 1 . 1 58 58 LEU CB C 13 41.709 0.000 . 1 . . . . . 58 LEU CB . 52512 1 365 . 1 . 1 58 58 LEU CG C 13 25.917 0.000 . 1 . . . . . 58 LEU CG . 52512 1 366 . 1 . 1 58 58 LEU CD1 C 13 23.014 0.000 . 1 . . . . . 58 LEU CD1 . 52512 1 367 . 1 . 1 58 58 LEU N N 15 117.897 0.000 . 1 . . . . . 58 LEU N . 52512 1 368 . 1 . 1 59 59 GLY H H 1 7.546 0.000 . 1 . . . . . 59 GLY H . 52512 1 369 . 1 . 1 59 59 GLY N N 15 104.288 0.000 . 1 . . . . . 59 GLY N . 52512 1 stop_ save_