################################### # 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 52895 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name D233 _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' . . . 52895 1 2 '3D HNCO' . . . 52895 1 3 '3D HN(CA)CO' . . . 52895 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 . . 52895 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 5 5 GLU H H 1 8.490 0.000 . 1 . . . . . 1 GLU H . 52895 1 2 . 1 . 1 5 5 GLU C C 13 177.188 0.000 . 1 . . . . . 1 GLU C . 52895 1 3 . 1 . 1 5 5 GLU CA C 13 57.474 0.000 . 1 . . . . . 1 GLU CA . 52895 1 4 . 1 . 1 5 5 GLU CB C 13 29.504 0.000 . 1 . . . . . 1 GLU CB . 52895 1 5 . 1 . 1 5 5 GLU CG C 13 36.106 0.000 . 1 . . . . . 1 GLU CG . 52895 1 6 . 1 . 1 5 5 GLU N N 15 121.898 0.000 . 1 . . . . . 1 GLU N . 52895 1 7 . 1 . 1 6 6 GLU H H 1 8.419 0.000 . 1 . . . . . 2 GLU H . 52895 1 8 . 1 . 1 6 6 GLU C C 13 177.188 0.000 . 1 . . . . . 2 GLU C . 52895 1 9 . 1 . 1 6 6 GLU CA C 13 57.537 0.000 . 1 . . . . . 2 GLU CA . 52895 1 10 . 1 . 1 6 6 GLU CB C 13 29.626 0.000 . 1 . . . . . 2 GLU CB . 52895 1 11 . 1 . 1 6 6 GLU CG C 13 36.124 0.000 . 1 . . . . . 2 GLU CG . 52895 1 12 . 1 . 1 6 6 GLU N N 15 121.486 0.000 . 1 . . . . . 2 GLU N . 52895 1 13 . 1 . 1 7 7 HIS H H 1 8.377 0.003 . 1 . . . . . 3 HIS H . 52895 1 14 . 1 . 1 7 7 HIS CA C 13 56.553 0.000 . 1 . . . . . 3 HIS CA . 52895 1 15 . 1 . 1 7 7 HIS CB C 13 29.646 0.000 . 1 . . . . . 3 HIS CB . 52895 1 16 . 1 . 1 7 7 HIS N N 15 119.411 0.003 . 1 . . . . . 3 HIS N . 52895 1 17 . 1 . 1 8 8 ARG H H 1 8.204 0.004 . 1 . . . . . 4 ARG H . 52895 1 18 . 1 . 1 8 8 ARG C C 13 177.018 0.000 . 1 . . . . . 4 ARG C . 52895 1 19 . 1 . 1 8 8 ARG CA C 13 57.112 0.000 . 1 . . . . . 4 ARG CA . 52895 1 20 . 1 . 1 8 8 ARG CB C 13 30.351 0.000 . 1 . . . . . 4 ARG CB . 52895 1 21 . 1 . 1 8 8 ARG CG C 13 27.261 0.000 . 1 . . . . . 4 ARG CG . 52895 1 22 . 1 . 1 8 8 ARG CD C 13 43.298 0.000 . 1 . . . . . 4 ARG CD . 52895 1 23 . 1 . 1 8 8 ARG N N 15 121.091 0.000 . 1 . . . . . 4 ARG N . 52895 1 24 . 1 . 1 9 9 ARG H H 1 8.290 0.003 . 1 . . . . . 5 ARG H . 52895 1 25 . 1 . 1 9 9 ARG C C 13 177.294 0.000 . 1 . . . . . 5 ARG C . 52895 1 26 . 1 . 1 9 9 ARG CA C 13 57.165 0.000 . 1 . . . . . 5 ARG CA . 52895 1 27 . 1 . 1 9 9 ARG CB C 13 30.592 0.000 . 1 . . . . . 5 ARG CB . 52895 1 28 . 1 . 1 9 9 ARG CG C 13 27.159 0.000 . 1 . . . . . 5 ARG CG . 52895 1 29 . 1 . 1 9 9 ARG CD C 13 43.282 0.000 . 1 . . . . . 5 ARG CD . 52895 1 30 . 1 . 1 9 9 ARG N N 15 121.321 0.000 . 1 . . . . . 5 ARG N . 52895 1 31 . 1 . 1 10 10 LYS H H 1 8.292 0.001 . 1 . . . . . 6 LYS H . 52895 1 32 . 1 . 1 10 10 LYS C C 13 177.311 0.000 . 1 . . . . . 6 LYS C . 52895 1 33 . 1 . 1 10 10 LYS CA C 13 57.353 0.000 . 1 . . . . . 6 LYS CA . 52895 1 34 . 1 . 1 10 10 LYS CB C 13 32.699 0.000 . 1 . . . . . 6 LYS CB . 52895 1 35 . 1 . 1 10 10 LYS CG C 13 24.876 0.000 . 1 . . . . . 6 LYS CG . 52895 1 36 . 1 . 1 10 10 LYS CD C 13 29.104 0.000 . 1 . . . . . 6 LYS CD . 52895 1 37 . 1 . 1 10 10 LYS CE C 13 42.085 0.000 . 1 . . . . . 6 LYS CE . 52895 1 38 . 1 . 1 10 10 LYS N N 15 121.969 0.000 . 1 . . . . . 6 LYS N . 52895 1 39 . 1 . 1 11 11 GLN H H 1 8.328 0.001 . 1 . . . . . 7 GLN H . 52895 1 40 . 1 . 1 11 11 GLN C C 13 176.686 0.000 . 1 . . . . . 7 GLN C . 52895 1 41 . 1 . 1 11 11 GLN CA C 13 56.996 0.000 . 1 . . . . . 7 GLN CA . 52895 1 42 . 1 . 1 11 11 GLN CB C 13 29.192 0.000 . 1 . . . . . 7 GLN CB . 52895 1 43 . 1 . 1 11 11 GLN CG C 13 33.695 0.000 . 1 . . . . . 7 GLN CG . 52895 1 44 . 1 . 1 11 11 GLN N N 15 120.840 0.000 . 1 . . . . . 7 GLN N . 52895 1 45 . 1 . 1 12 12 GLN H H 1 8.438 0.000 . 1 . . . . . 8 GLN H . 52895 1 46 . 1 . 1 12 12 GLN C C 13 177.184 0.000 . 1 . . . . . 8 GLN C . 52895 1 47 . 1 . 1 12 12 GLN CA C 13 57.063 0.000 . 1 . . . . . 8 GLN CA . 52895 1 48 . 1 . 1 12 12 GLN CB C 13 29.245 0.000 . 1 . . . . . 8 GLN CB . 52895 1 49 . 1 . 1 12 12 GLN CG C 13 34.090 0.000 . 1 . . . . . 8 GLN CG . 52895 1 50 . 1 . 1 12 12 GLN N N 15 120.729 0.000 . 1 . . . . . 8 GLN N . 52895 1 51 . 1 . 1 13 13 THR H H 1 8.171 0.000 . 1 . . . . . 9 THR H . 52895 1 52 . 1 . 1 13 13 THR C C 13 175.165 0.000 . 1 . . . . . 9 THR C . 52895 1 53 . 1 . 1 13 13 THR CA C 13 63.834 0.000 . 1 . . . . . 9 THR CA . 52895 1 54 . 1 . 1 13 13 THR CB C 13 69.547 0.000 . 1 . . . . . 9 THR CB . 52895 1 55 . 1 . 1 13 13 THR CG2 C 13 21.675 0.000 . 1 . . . . . 9 THR CG2 . 52895 1 56 . 1 . 1 13 13 THR N N 15 115.943 0.000 . 1 . . . . . 9 THR N . 52895 1 57 . 1 . 1 14 14 LEU H H 1 8.232 0.001 . 1 . . . . . 10 LEU H . 52895 1 58 . 1 . 1 14 14 LEU C C 13 178.601 0.000 . 1 . . . . . 10 LEU C . 52895 1 59 . 1 . 1 14 14 LEU CA C 13 56.603 0.000 . 1 . . . . . 10 LEU CA . 52895 1 60 . 1 . 1 14 14 LEU CB C 13 41.969 0.000 . 1 . . . . . 10 LEU CB . 52895 1 61 . 1 . 1 14 14 LEU CG C 13 26.873 0.000 . 1 . . . . . 10 LEU CG . 52895 1 62 . 1 . 1 14 14 LEU CD1 C 13 24.771 0.000 . 1 . . . . . 10 LEU CD1 . 52895 1 63 . 1 . 1 14 14 LEU CD2 C 13 23.548 0.000 . 1 . . . . . 10 LEU CD2 . 52895 1 64 . 1 . 1 14 14 LEU N N 15 123.899 0.000 . 1 . . . . . 10 LEU N . 52895 1 65 . 1 . 1 15 15 GLU H H 1 8.470 0.001 . 1 . . . . . 11 GLU H . 52895 1 66 . 1 . 1 15 15 GLU C C 13 178.061 0.000 . 1 . . . . . 11 GLU C . 52895 1 67 . 1 . 1 15 15 GLU CA C 13 58.252 0.000 . 1 . . . . . 11 GLU CA . 52895 1 68 . 1 . 1 15 15 GLU CB C 13 29.678 0.000 . 1 . . . . . 11 GLU CB . 52895 1 69 . 1 . 1 15 15 GLU CG C 13 36.489 0.000 . 1 . . . . . 11 GLU CG . 52895 1 70 . 1 . 1 15 15 GLU N N 15 120.917 0.000 . 1 . . . . . 11 GLU N . 52895 1 71 . 1 . 1 16 16 ALA H H 1 8.232 0.001 . 1 . . . . . 12 ALA H . 52895 1 72 . 1 . 1 16 16 ALA C C 13 179.810 0.000 . 1 . . . . . 12 ALA C . 52895 1 73 . 1 . 1 16 16 ALA CA C 13 54.202 0.000 . 1 . . . . . 12 ALA CA . 52895 1 74 . 1 . 1 16 16 ALA CB C 13 18.552 0.000 . 1 . . . . . 12 ALA CB . 52895 1 75 . 1 . 1 16 16 ALA N N 15 123.651 0.000 . 1 . . . . . 12 ALA N . 52895 1 76 . 1 . 1 17 17 GLU H H 1 8.298 0.001 . 1 . . . . . 13 GLU H . 52895 1 77 . 1 . 1 17 17 GLU C C 13 178.789 0.000 . 1 . . . . . 13 GLU C . 52895 1 78 . 1 . 1 17 17 GLU CA C 13 58.529 0.000 . 1 . . . . . 13 GLU CA . 52895 1 79 . 1 . 1 17 17 GLU CB C 13 29.295 0.000 . 1 . . . . . 13 GLU CB . 52895 1 80 . 1 . 1 17 17 GLU CG C 13 36.282 0.000 . 1 . . . . . 13 GLU CG . 52895 1 81 . 1 . 1 17 17 GLU N N 15 119.242 0.000 . 1 . . . . . 13 GLU N . 52895 1 82 . 1 . 1 18 18 GLU H H 1 8.297 0.001 . 1 . . . . . 14 GLU H . 52895 1 83 . 1 . 1 18 18 GLU C C 13 178.090 0.000 . 1 . . . . . 14 GLU C . 52895 1 84 . 1 . 1 18 18 GLU CA C 13 58.506 0.000 . 1 . . . . . 14 GLU CA . 52895 1 85 . 1 . 1 18 18 GLU CB C 13 29.428 0.000 . 1 . . . . . 14 GLU CB . 52895 1 86 . 1 . 1 18 18 GLU CG C 13 36.023 0.000 . 1 . . . . . 14 GLU CG . 52895 1 87 . 1 . 1 18 18 GLU N N 15 121.084 0.000 . 1 . . . . . 14 GLU N . 52895 1 88 . 1 . 1 19 19 ALA H H 1 8.114 0.001 . 1 . . . . . 15 ALA H . 52895 1 89 . 1 . 1 19 19 ALA C C 13 179.796 0.000 . 1 . . . . . 15 ALA C . 52895 1 90 . 1 . 1 19 19 ALA CA C 13 54.586 0.000 . 1 . . . . . 15 ALA CA . 52895 1 91 . 1 . 1 19 19 ALA CB C 13 18.071 0.000 . 1 . . . . . 15 ALA CB . 52895 1 92 . 1 . 1 19 19 ALA N N 15 122.063 0.000 . 1 . . . . . 15 ALA N . 52895 1 93 . 1 . 1 20 20 LYS H H 1 7.795 0.001 . 1 . . . . . 16 LYS H . 52895 1 94 . 1 . 1 20 20 LYS C C 13 178.357 0.000 . 1 . . . . . 16 LYS C . 52895 1 95 . 1 . 1 20 20 LYS CA C 13 58.514 0.000 . 1 . . . . . 16 LYS CA . 52895 1 96 . 1 . 1 20 20 LYS CB C 13 32.524 0.000 . 1 . . . . . 16 LYS CB . 52895 1 97 . 1 . 1 20 20 LYS CG C 13 25.188 0.000 . 1 . . . . . 16 LYS CG . 52895 1 98 . 1 . 1 20 20 LYS CD C 13 29.390 0.000 . 1 . . . . . 16 LYS CD . 52895 1 99 . 1 . 1 20 20 LYS CE C 13 42.143 0.000 . 1 . . . . . 16 LYS CE . 52895 1 100 . 1 . 1 20 20 LYS N N 15 117.822 0.000 . 1 . . . . . 16 LYS N . 52895 1 101 . 1 . 1 21 21 ARG H H 1 7.929 0.001 . 1 . . . . . 17 ARG H . 52895 1 102 . 1 . 1 21 21 ARG C C 13 177.822 0.000 . 1 . . . . . 17 ARG C . 52895 1 103 . 1 . 1 21 21 ARG CA C 13 58.403 0.000 . 1 . . . . . 17 ARG CA . 52895 1 104 . 1 . 1 21 21 ARG CB C 13 30.300 0.000 . 1 . . . . . 17 ARG CB . 52895 1 105 . 1 . 1 21 21 ARG CG C 13 27.367 0.000 . 1 . . . . . 17 ARG CG . 52895 1 106 . 1 . 1 21 21 ARG CD C 13 43.335 0.000 . 1 . . . . . 17 ARG CD . 52895 1 107 . 1 . 1 21 21 ARG N N 15 120.224 0.000 . 1 . . . . . 17 ARG N . 52895 1 108 . 1 . 1 22 22 ARG H H 1 8.086 0.001 . 1 . . . . . 18 ARG H . 52895 1 109 . 1 . 1 22 22 ARG C C 13 177.608 0.000 . 1 . . . . . 18 ARG C . 52895 1 110 . 1 . 1 22 22 ARG CA C 13 57.699 0.000 . 1 . . . . . 18 ARG CA . 52895 1 111 . 1 . 1 22 22 ARG CB C 13 30.279 0.000 . 1 . . . . . 18 ARG CB . 52895 1 112 . 1 . 1 22 22 ARG CG C 13 27.282 0.000 . 1 . . . . . 18 ARG CG . 52895 1 113 . 1 . 1 22 22 ARG CD C 13 43.206 0.000 . 1 . . . . . 18 ARG CD . 52895 1 114 . 1 . 1 22 22 ARG N N 15 119.320 0.000 . 1 . . . . . 18 ARG N . 52895 1 115 . 1 . 1 23 23 LEU H H 1 7.865 0.002 . 1 . . . . . 19 LEU H . 52895 1 116 . 1 . 1 23 23 LEU C C 13 178.411 0.000 . 1 . . . . . 19 LEU C . 52895 1 117 . 1 . 1 23 23 LEU CA C 13 56.316 0.000 . 1 . . . . . 19 LEU CA . 52895 1 118 . 1 . 1 23 23 LEU CB C 13 41.977 0.000 . 1 . . . . . 19 LEU CB . 52895 1 119 . 1 . 1 23 23 LEU CG C 13 26.782 0.000 . 1 . . . . . 19 LEU CG . 52895 1 120 . 1 . 1 23 23 LEU CD1 C 13 24.635 0.000 . 1 . . . . . 19 LEU CD1 . 52895 1 121 . 1 . 1 23 23 LEU CD2 C 13 23.396 0.000 . 1 . . . . . 19 LEU CD2 . 52895 1 122 . 1 . 1 23 23 LEU N N 15 120.619 0.000 . 1 . . . . . 19 LEU N . 52895 1 123 . 1 . 1 24 24 LYS H H 1 7.985 0.004 . 1 . . . . . 20 LYS H . 52895 1 124 . 1 . 1 24 24 LYS C C 13 177.579 0.000 . 1 . . . . . 20 LYS C . 52895 1 125 . 1 . 1 24 24 LYS CA C 13 57.373 0.000 . 1 . . . . . 20 LYS CA . 52895 1 126 . 1 . 1 24 24 LYS CB C 13 32.517 0.000 . 1 . . . . . 20 LYS CB . 52895 1 127 . 1 . 1 24 24 LYS CG C 13 24.729 0.000 . 1 . . . . . 20 LYS CG . 52895 1 128 . 1 . 1 24 24 LYS CD C 13 29.032 0.000 . 1 . . . . . 20 LYS CD . 52895 1 129 . 1 . 1 24 24 LYS CE C 13 42.070 0.000 . 1 . . . . . 20 LYS CE . 52895 1 130 . 1 . 1 24 24 LYS N N 15 120.315 0.000 . 1 . . . . . 20 LYS N . 52895 1 131 . 1 . 1 25 25 GLU H H 1 8.235 0.002 . 1 . . . . . 21 GLU H . 52895 1 132 . 1 . 1 25 25 GLU C C 13 176.968 0.000 . 1 . . . . . 21 GLU C . 52895 1 133 . 1 . 1 25 25 GLU CA C 13 57.320 0.000 . 1 . . . . . 21 GLU CA . 52895 1 134 . 1 . 1 25 25 GLU CB C 13 29.806 0.000 . 1 . . . . . 21 GLU CB . 52895 1 135 . 1 . 1 25 25 GLU CG C 13 36.413 0.000 . 1 . . . . . 21 GLU CG . 52895 1 136 . 1 . 1 25 25 GLU N N 15 120.182 0.000 . 1 . . . . . 21 GLU N . 52895 1 137 . 1 . 1 26 26 GLN H H 1 8.171 0.001 . 1 . . . . . 22 GLN H . 52895 1 138 . 1 . 1 26 26 GLN C C 13 176.293 0.000 . 1 . . . . . 22 GLN C . 52895 1 139 . 1 . 1 26 26 GLN CA C 13 56.174 0.000 . 1 . . . . . 22 GLN CA . 52895 1 140 . 1 . 1 26 26 GLN CB C 13 29.349 0.000 . 1 . . . . . 22 GLN CB . 52895 1 141 . 1 . 1 26 26 GLN CG C 13 33.907 0.000 . 1 . . . . . 22 GLN CG . 52895 1 142 . 1 . 1 26 26 GLN N N 15 119.441 0.000 . 1 . . . . . 22 GLN N . 52895 1 143 . 1 . 1 27 27 SER H H 1 8.211 0.002 . 1 . . . . . 23 SER H . 52895 1 144 . 1 . 1 27 27 SER C C 13 174.648 0.000 . 1 . . . . . 23 SER C . 52895 1 145 . 1 . 1 27 27 SER CA C 13 59.080 0.000 . 1 . . . . . 23 SER CA . 52895 1 146 . 1 . 1 27 27 SER CB C 13 63.968 0.000 . 1 . . . . . 23 SER CB . 52895 1 147 . 1 . 1 27 27 SER N N 15 116.337 0.000 . 1 . . . . . 23 SER N . 52895 1 148 . 1 . 1 28 28 ILE H H 1 8.356 0.001 . 1 . . . . . 24 ILE H . 52895 1 149 . 1 . 1 28 28 ILE C C 13 176.037 0.000 . 1 . . . . . 24 ILE C . 52895 1 150 . 1 . 1 28 28 ILE CA C 13 61.598 0.000 . 1 . . . . . 24 ILE CA . 52895 1 151 . 1 . 1 28 28 ILE CB C 13 38.498 0.000 . 1 . . . . . 24 ILE CB . 52895 1 152 . 1 . 1 28 28 ILE CG1 C 13 26.884 0.000 . 1 . . . . . 24 ILE CG1 . 52895 1 153 . 1 . 1 28 28 ILE CG2 C 13 17.290 0.000 . 1 . . . . . 24 ILE CG2 . 52895 1 154 . 1 . 1 28 28 ILE CD1 C 13 12.949 0.000 . 1 . . . . . 24 ILE CD1 . 52895 1 155 . 1 . 1 28 28 ILE N N 15 122.843 0.000 . 1 . . . . . 24 ILE N . 52895 1 156 . 1 . 1 29 29 PHE H H 1 8.281 0.002 . 1 . . . . . 25 PHE H . 52895 1 157 . 1 . 1 29 29 PHE C C 13 176.331 0.000 . 1 . . . . . 25 PHE C . 52895 1 158 . 1 . 1 29 29 PHE CA C 13 57.750 0.000 . 1 . . . . . 25 PHE CA . 52895 1 159 . 1 . 1 29 29 PHE CB C 13 39.452 0.000 . 1 . . . . . 25 PHE CB . 52895 1 160 . 1 . 1 29 29 PHE N N 15 122.526 0.000 . 1 . . . . . 25 PHE N . 52895 1 161 . 1 . 1 30 30 GLY H H 1 8.257 0.001 . 1 . . . . . 26 GLY H . 52895 1 162 . 1 . 1 30 30 GLY C C 13 173.515 0.000 . 1 . . . . . 26 GLY C . 52895 1 163 . 1 . 1 30 30 GLY CA C 13 45.523 0.000 . 1 . . . . . 26 GLY CA . 52895 1 164 . 1 . 1 30 30 GLY N N 15 109.980 0.000 . 1 . . . . . 26 GLY N . 52895 1 165 . 1 . 1 31 31 ASP H H 1 8.187 0.000 . 1 . . . . . 27 ASP H . 52895 1 166 . 1 . 1 31 31 ASP C C 13 176.026 0.000 . 1 . . . . . 27 ASP C . 52895 1 167 . 1 . 1 31 31 ASP CA C 13 54.242 0.000 . 1 . . . . . 27 ASP CA . 52895 1 168 . 1 . 1 31 31 ASP CB C 13 41.177 0.000 . 1 . . . . . 27 ASP CB . 52895 1 169 . 1 . 1 31 31 ASP N N 15 119.937 0.000 . 1 . . . . . 27 ASP N . 52895 1 170 . 1 . 1 32 32 HIS H H 1 8.451 0.001 . 1 . . . . . 28 HIS H . 52895 1 171 . 1 . 1 32 32 HIS C C 13 174.524 0.000 . 1 . . . . . 28 HIS C . 52895 1 172 . 1 . 1 32 32 HIS CA C 13 55.376 0.000 . 1 . . . . . 28 HIS CA . 52895 1 173 . 1 . 1 32 32 HIS CB C 13 28.871 0.000 . 1 . . . . . 28 HIS CB . 52895 1 174 . 1 . 1 32 32 HIS N N 15 118.714 0.000 . 1 . . . . . 28 HIS N . 52895 1 175 . 1 . 1 33 33 ARG H H 1 8.358 0.001 . 1 . . . . . 29 ARG H . 52895 1 176 . 1 . 1 33 33 ARG C C 13 176.053 0.000 . 1 . . . . . 29 ARG C . 52895 1 177 . 1 . 1 33 33 ARG CA C 13 56.181 0.000 . 1 . . . . . 29 ARG CA . 52895 1 178 . 1 . 1 33 33 ARG CB C 13 30.666 0.000 . 1 . . . . . 29 ARG CB . 52895 1 179 . 1 . 1 33 33 ARG CG C 13 26.775 0.000 . 1 . . . . . 29 ARG CG . 52895 1 180 . 1 . 1 33 33 ARG CD C 13 43.177 0.000 . 1 . . . . . 29 ARG CD . 52895 1 181 . 1 . 1 33 33 ARG N N 15 122.565 0.000 . 1 . . . . . 29 ARG N . 52895 1 182 . 1 . 1 34 34 ASP H H 1 8.531 0.001 . 1 . . . . . 30 ASP H . 52895 1 183 . 1 . 1 34 34 ASP C C 13 176.338 0.000 . 1 . . . . . 30 ASP C . 52895 1 184 . 1 . 1 34 34 ASP CA C 13 54.854 0.000 . 1 . . . . . 30 ASP CA . 52895 1 185 . 1 . 1 34 34 ASP CB C 13 41.021 0.000 . 1 . . . . . 30 ASP CB . 52895 1 186 . 1 . 1 34 34 ASP N N 15 121.436 0.000 . 1 . . . . . 30 ASP N . 52895 1 187 . 1 . 1 35 35 GLU H H 1 8.386 0.001 . 1 . . . . . 31 GLU H . 52895 1 188 . 1 . 1 35 35 GLU C C 13 176.723 0.000 . 1 . . . . . 31 GLU C . 52895 1 189 . 1 . 1 35 35 GLU CA C 13 56.858 0.000 . 1 . . . . . 31 GLU CA . 52895 1 190 . 1 . 1 35 35 GLU CB C 13 30.133 0.000 . 1 . . . . . 31 GLU CB . 52895 1 191 . 1 . 1 35 35 GLU CG C 13 36.289 0.000 . 1 . . . . . 31 GLU CG . 52895 1 192 . 1 . 1 35 35 GLU N N 15 120.774 0.000 . 1 . . . . . 31 GLU N . 52895 1 193 . 1 . 1 36 36 GLU H H 1 8.353 0.000 . 1 . . . . . 32 GLU H . 52895 1 194 . 1 . 1 36 36 GLU C C 13 176.750 0.000 . 1 . . . . . 32 GLU C . 52895 1 195 . 1 . 1 36 36 GLU CA C 13 56.908 0.000 . 1 . . . . . 32 GLU CA . 52895 1 196 . 1 . 1 36 36 GLU CB C 13 30.151 0.000 . 1 . . . . . 32 GLU CB . 52895 1 197 . 1 . 1 36 36 GLU CG C 13 36.308 0.000 . 1 . . . . . 32 GLU CG . 52895 1 198 . 1 . 1 36 36 GLU N N 15 121.121 0.000 . 1 . . . . . 32 GLU N . 52895 1 199 . 1 . 1 37 37 GLU H H 1 8.351 0.001 . 1 . . . . . 33 GLU H . 52895 1 200 . 1 . 1 37 37 GLU C C 13 176.928 0.000 . 1 . . . . . 33 GLU C . 52895 1 201 . 1 . 1 37 37 GLU CA C 13 57.037 0.000 . 1 . . . . . 33 GLU CA . 52895 1 202 . 1 . 1 37 37 GLU CB C 13 30.050 0.000 . 1 . . . . . 33 GLU CB . 52895 1 203 . 1 . 1 37 37 GLU CG C 13 36.228 0.000 . 1 . . . . . 33 GLU CG . 52895 1 204 . 1 . 1 37 37 GLU N N 15 121.659 0.000 . 1 . . . . . 33 GLU N . 52895 1 205 . 1 . 1 38 38 GLU H H 1 8.461 0.001 . 1 . . . . . 34 GLU H . 52895 1 206 . 1 . 1 38 38 GLU CA C 13 57.117 0.000 . 1 . . . . . 34 GLU CA . 52895 1 207 . 1 . 1 38 38 GLU CB C 13 30.058 0.000 . 1 . . . . . 34 GLU CB . 52895 1 208 . 1 . 1 38 38 GLU CG C 13 36.268 0.000 . 1 . . . . . 34 GLU CG . 52895 1 209 . 1 . 1 38 38 GLU N N 15 121.532 0.002 . 1 . . . . . 34 GLU N . 52895 1 210 . 1 . 1 39 39 THR H H 1 8.104 0.001 . 1 . . . . . 35 THR H . 52895 1 211 . 1 . 1 39 39 THR C C 13 174.749 0.000 . 1 . . . . . 35 THR C . 52895 1 212 . 1 . 1 39 39 THR CA C 13 62.193 0.000 . 1 . . . . . 35 THR CA . 52895 1 213 . 1 . 1 39 39 THR CB C 13 69.486 0.000 . 1 . . . . . 35 THR CB . 52895 1 214 . 1 . 1 39 39 THR CG2 C 13 21.323 0.000 . 1 . . . . . 35 THR CG2 . 52895 1 215 . 1 . 1 39 39 THR N N 15 114.063 0.000 . 1 . . . . . 35 THR N . 52895 1 216 . 1 . 1 40 40 HIS H H 1 8.383 0.002 . 1 . . . . . 36 HIS H . 52895 1 217 . 1 . 1 40 40 HIS C C 13 174.725 0.000 . 1 . . . . . 36 HIS C . 52895 1 218 . 1 . 1 40 40 HIS CA C 13 55.291 0.000 . 1 . . . . . 36 HIS CA . 52895 1 219 . 1 . 1 40 40 HIS CB C 13 29.076 0.000 . 1 . . . . . 36 HIS CB . 52895 1 220 . 1 . 1 40 40 HIS N N 15 120.435 0.000 . 1 . . . . . 36 HIS N . 52895 1 221 . 1 . 1 41 41 MET H H 1 8.265 0.001 . 1 . . . . . 37 MET H . 52895 1 222 . 1 . 1 41 41 MET C C 13 175.998 0.000 . 1 . . . . . 37 MET C . 52895 1 223 . 1 . 1 41 41 MET CA C 13 55.780 0.000 . 1 . . . . . 37 MET CA . 52895 1 224 . 1 . 1 41 41 MET CB C 13 33.628 0.000 . 1 . . . . . 37 MET CB . 52895 1 225 . 1 . 1 41 41 MET CG C 13 31.889 0.000 . 1 . . . . . 37 MET CG . 52895 1 226 . 1 . 1 41 41 MET N N 15 120.919 0.000 . 1 . . . . . 37 MET N . 52895 1 227 . 1 . 1 42 42 LYS H H 1 8.344 0.001 . 1 . . . . . 38 LYS H . 52895 1 228 . 1 . 1 42 42 LYS C C 13 176.458 0.000 . 1 . . . . . 38 LYS C . 52895 1 229 . 1 . 1 42 42 LYS CA C 13 56.336 0.000 . 1 . . . . . 38 LYS CA . 52895 1 230 . 1 . 1 42 42 LYS CB C 13 33.028 0.000 . 1 . . . . . 38 LYS CB . 52895 1 231 . 1 . 1 42 42 LYS CG C 13 24.666 0.000 . 1 . . . . . 38 LYS CG . 52895 1 232 . 1 . 1 42 42 LYS CD C 13 28.980 0.000 . 1 . . . . . 38 LYS CD . 52895 1 233 . 1 . 1 42 42 LYS CE C 13 41.924 0.000 . 1 . . . . . 38 LYS CE . 52895 1 234 . 1 . 1 42 42 LYS N N 15 123.045 0.000 . 1 . . . . . 38 LYS N . 52895 1 235 . 1 . 1 43 43 LYS H H 1 8.446 0.001 . 1 . . . . . 39 LYS H . 52895 1 236 . 1 . 1 43 43 LYS C C 13 176.652 0.000 . 1 . . . . . 39 LYS C . 52895 1 237 . 1 . 1 43 43 LYS CA C 13 56.300 0.000 . 1 . . . . . 39 LYS CA . 52895 1 238 . 1 . 1 43 43 LYS CB C 13 33.088 0.000 . 1 . . . . . 39 LYS CB . 52895 1 239 . 1 . 1 43 43 LYS CG C 13 24.584 0.000 . 1 . . . . . 39 LYS CG . 52895 1 240 . 1 . 1 43 43 LYS CD C 13 28.913 0.000 . 1 . . . . . 39 LYS CD . 52895 1 241 . 1 . 1 43 43 LYS CE C 13 41.928 0.000 . 1 . . . . . 39 LYS CE . 52895 1 242 . 1 . 1 43 43 LYS N N 15 123.637 0.000 . 1 . . . . . 39 LYS N . 52895 1 243 . 1 . 1 44 44 SER H H 1 8.481 0.002 . 1 . . . . . 40 SER H . 52895 1 244 . 1 . 1 44 44 SER C C 13 174.794 0.000 . 1 . . . . . 40 SER C . 52895 1 245 . 1 . 1 44 44 SER CA C 13 57.963 0.000 . 1 . . . . . 40 SER CA . 52895 1 246 . 1 . 1 44 44 SER CB C 13 64.051 0.000 . 1 . . . . . 40 SER CB . 52895 1 247 . 1 . 1 44 44 SER N N 15 117.546 0.000 . 1 . . . . . 40 SER N . 52895 1 248 . 1 . 1 45 45 GLU H H 1 8.615 0.001 . 1 . . . . . 41 GLU H . 52895 1 249 . 1 . 1 45 45 GLU C C 13 176.722 0.000 . 1 . . . . . 41 GLU C . 52895 1 250 . 1 . 1 45 45 GLU CA C 13 57.231 0.000 . 1 . . . . . 41 GLU CA . 52895 1 251 . 1 . 1 45 45 GLU CB C 13 29.998 0.000 . 1 . . . . . 41 GLU CB . 52895 1 252 . 1 . 1 45 45 GLU CG C 13 36.181 0.000 . 1 . . . . . 41 GLU CG . 52895 1 253 . 1 . 1 45 45 GLU N N 15 122.830 0.000 . 1 . . . . . 41 GLU N . 52895 1 254 . 1 . 1 46 46 SER H H 1 8.278 0.001 . 1 . . . . . 42 SER H . 52895 1 255 . 1 . 1 46 46 SER C C 13 174.664 0.000 . 1 . . . . . 42 SER C . 52895 1 256 . 1 . 1 46 46 SER CA C 13 57.895 0.000 . 1 . . . . . 42 SER CA . 52895 1 257 . 1 . 1 46 46 SER CB C 13 64.117 0.000 . 1 . . . . . 42 SER CB . 52895 1 258 . 1 . 1 46 46 SER N N 15 115.497 0.000 . 1 . . . . . 42 SER N . 52895 1 259 . 1 . 1 47 47 GLU H H 1 7.949 0.001 . 1 . . . . . 43 GLU H . 52895 1 260 . 1 . 1 47 47 GLU C C 13 176.093 0.000 . 1 . . . . . 43 GLU C . 52895 1 261 . 1 . 1 47 47 GLU CA C 13 56.917 0.000 . 1 . . . . . 43 GLU CA . 52895 1 262 . 1 . 1 47 47 GLU CB C 13 30.140 0.000 . 1 . . . . . 43 GLU CB . 52895 1 263 . 1 . 1 47 47 GLU CG C 13 36.315 0.000 . 1 . . . . . 43 GLU CG . 52895 1 264 . 1 . 1 47 47 GLU N N 15 121.403 0.000 . 1 . . . . . 43 GLU N . 52895 1 265 . 1 . 1 48 48 VAL H H 1 8.079 0.000 . 1 . . . . . 44 VAL H . 52895 1 266 . 1 . 1 48 48 VAL C C 13 176.438 0.000 . 1 . . . . . 44 VAL C . 52895 1 267 . 1 . 1 48 48 VAL CA C 13 62.613 0.000 . 1 . . . . . 44 VAL CA . 52895 1 268 . 1 . 1 48 48 VAL CB C 13 32.795 0.000 . 1 . . . . . 44 VAL CB . 52895 1 269 . 1 . 1 48 48 VAL CG1 C 13 20.944 0.000 . 2 . . . . . 44 VAL CG1 . 52895 1 270 . 1 . 1 48 48 VAL N N 15 120.465 0.000 . 1 . . . . . 44 VAL N . 52895 1 271 . 1 . 1 49 49 GLU H H 1 8.396 0.001 . 1 . . . . . 45 GLU H . 52895 1 272 . 1 . 1 49 49 GLU C C 13 176.873 0.000 . 1 . . . . . 45 GLU C . 52895 1 273 . 1 . 1 49 49 GLU CA C 13 56.994 0.000 . 1 . . . . . 45 GLU CA . 52895 1 274 . 1 . 1 49 49 GLU CB C 13 30.272 0.000 . 1 . . . . . 45 GLU CB . 52895 1 275 . 1 . 1 49 49 GLU CG C 13 36.269 0.000 . 1 . . . . . 45 GLU CG . 52895 1 276 . 1 . 1 49 49 GLU N N 15 124.295 0.000 . 1 . . . . . 45 GLU N . 52895 1 277 . 1 . 1 50 50 GLU H H 1 8.454 0.001 . 1 . . . . . 46 GLU H . 52895 1 278 . 1 . 1 50 50 GLU C C 13 176.634 0.000 . 1 . . . . . 46 GLU C . 52895 1 279 . 1 . 1 50 50 GLU CA C 13 57.060 0.000 . 1 . . . . . 46 GLU CA . 52895 1 280 . 1 . 1 50 50 GLU CB C 13 30.275 0.000 . 1 . . . . . 46 GLU CB . 52895 1 281 . 1 . 1 50 50 GLU CG C 13 36.270 0.000 . 1 . . . . . 46 GLU CG . 52895 1 282 . 1 . 1 50 50 GLU N N 15 122.551 0.000 . 1 . . . . . 46 GLU N . 52895 1 283 . 1 . 1 51 51 ALA H H 1 8.284 0.000 . 1 . . . . . 47 ALA H . 52895 1 284 . 1 . 1 51 51 ALA C C 13 177.956 0.000 . 1 . . . . . 47 ALA C . 52895 1 285 . 1 . 1 51 51 ALA CA C 13 52.789 0.000 . 1 . . . . . 47 ALA CA . 52895 1 286 . 1 . 1 51 51 ALA CB C 13 18.950 0.000 . 1 . . . . . 47 ALA CB . 52895 1 287 . 1 . 1 51 51 ALA N N 15 124.455 0.000 . 1 . . . . . 47 ALA N . 52895 1 288 . 1 . 1 52 52 ALA H H 1 8.145 0.000 . 1 . . . . . 48 ALA H . 52895 1 289 . 1 . 1 52 52 ALA C C 13 177.948 0.000 . 1 . . . . . 48 ALA C . 52895 1 290 . 1 . 1 52 52 ALA CA C 13 52.741 0.000 . 1 . . . . . 48 ALA CA . 52895 1 291 . 1 . 1 52 52 ALA CB C 13 18.997 0.000 . 1 . . . . . 48 ALA CB . 52895 1 292 . 1 . 1 52 52 ALA N N 15 122.338 0.000 . 1 . . . . . 48 ALA N . 52895 1 293 . 1 . 1 53 53 ALA H H 1 8.093 0.000 . 1 . . . . . 49 ALA H . 52895 1 294 . 1 . 1 53 53 ALA C C 13 178.004 0.000 . 1 . . . . . 49 ALA C . 52895 1 295 . 1 . 1 53 53 ALA CA C 13 52.717 0.000 . 1 . . . . . 49 ALA CA . 52895 1 296 . 1 . 1 53 53 ALA CB C 13 18.979 0.000 . 1 . . . . . 49 ALA CB . 52895 1 297 . 1 . 1 53 53 ALA N N 15 122.409 0.000 . 1 . . . . . 49 ALA N . 52895 1 298 . 1 . 1 54 54 ILE H H 1 7.952 0.000 . 1 . . . . . 50 ILE H . 52895 1 299 . 1 . 1 54 54 ILE C C 13 176.692 0.000 . 1 . . . . . 50 ILE C . 52895 1 300 . 1 . 1 54 54 ILE CA C 13 61.453 0.000 . 1 . . . . . 50 ILE CA . 52895 1 301 . 1 . 1 54 54 ILE CB C 13 38.380 0.000 . 1 . . . . . 50 ILE CB . 52895 1 302 . 1 . 1 54 54 ILE CG1 C 13 27.543 0.000 . 1 . . . . . 50 ILE CG1 . 52895 1 303 . 1 . 1 54 54 ILE CG2 C 13 17.475 0.000 . 1 . . . . . 50 ILE CG2 . 52895 1 304 . 1 . 1 54 54 ILE CD1 C 13 12.749 0.000 . 1 . . . . . 50 ILE CD1 . 52895 1 305 . 1 . 1 54 54 ILE N N 15 119.527 0.000 . 1 . . . . . 50 ILE N . 52895 1 306 . 1 . 1 55 55 ILE H H 1 8.047 0.001 . 1 . . . . . 51 ILE H . 52895 1 307 . 1 . 1 55 55 ILE C C 13 176.084 0.000 . 1 . . . . . 51 ILE C . 52895 1 308 . 1 . 1 55 55 ILE CA C 13 61.334 0.000 . 1 . . . . . 51 ILE CA . 52895 1 309 . 1 . 1 55 55 ILE CB C 13 38.411 0.000 . 1 . . . . . 51 ILE CB . 52895 1 310 . 1 . 1 55 55 ILE CG1 C 13 27.185 0.000 . 1 . . . . . 51 ILE CG1 . 52895 1 311 . 1 . 1 55 55 ILE CG2 C 13 17.450 0.000 . 1 . . . . . 51 ILE CG2 . 52895 1 312 . 1 . 1 55 55 ILE CD1 C 13 12.583 0.000 . 1 . . . . . 51 ILE CD1 . 52895 1 313 . 1 . 1 55 55 ILE N N 15 124.180 0.000 . 1 . . . . . 51 ILE N . 52895 1 314 . 1 . 1 56 56 ALA H H 1 8.200 0.002 . 1 . . . . . 52 ALA H . 52895 1 315 . 1 . 1 56 56 ALA C C 13 177.436 0.000 . 1 . . . . . 52 ALA C . 52895 1 316 . 1 . 1 56 56 ALA CA C 13 52.501 0.000 . 1 . . . . . 52 ALA CA . 52895 1 317 . 1 . 1 56 56 ALA CB C 13 19.250 0.000 . 1 . . . . . 52 ALA CB . 52895 1 318 . 1 . 1 56 56 ALA N N 15 126.931 0.000 . 1 . . . . . 52 ALA N . 52895 1 319 . 1 . 1 57 57 GLN H H 1 8.172 0.002 . 1 . . . . . 53 GLN H . 52895 1 320 . 1 . 1 57 57 GLN C C 13 175.642 0.000 . 1 . . . . . 53 GLN C . 52895 1 321 . 1 . 1 57 57 GLN CA C 13 55.638 0.000 . 1 . . . . . 53 GLN CA . 52895 1 322 . 1 . 1 57 57 GLN CB C 13 29.544 0.000 . 1 . . . . . 53 GLN CB . 52895 1 323 . 1 . 1 57 57 GLN CG C 13 33.808 0.000 . 1 . . . . . 53 GLN CG . 52895 1 324 . 1 . 1 57 57 GLN N N 15 119.159 0.004 . 1 . . . . . 53 GLN N . 52895 1 325 . 1 . 1 58 58 ARG H H 1 8.342 0.000 . 1 . . . . . 54 ARG H . 52895 1 326 . 1 . 1 58 58 ARG C C 13 176.463 0.000 . 1 . . . . . 54 ARG C . 52895 1 327 . 1 . 1 58 58 ARG N N 15 123.417 0.000 . 1 . . . . . 54 ARG N . 52895 1 328 . 1 . 1 59 59 PRO C C 13 176.460 0.000 . 1 . . . . . 55 PRO C . 52895 1 329 . 1 . 1 59 59 PRO CA C 13 62.923 0.000 . 1 . . . . . 55 PRO CA . 52895 1 330 . 1 . 1 59 59 PRO CB C 13 32.128 0.000 . 1 . . . . . 55 PRO CB . 52895 1 331 . 1 . 1 59 59 PRO CG C 13 27.329 0.000 . 1 . . . . . 55 PRO CG . 52895 1 332 . 1 . 1 59 59 PRO CD C 13 50.595 0.000 . 1 . . . . . 55 PRO CD . 52895 1 333 . 1 . 1 60 60 ASP H H 1 8.419 0.001 . 1 . . . . . 56 ASP H . 52895 1 334 . 1 . 1 60 60 ASP C C 13 175.585 0.000 . 1 . . . . . 56 ASP C . 52895 1 335 . 1 . 1 60 60 ASP CA C 13 54.369 0.000 . 1 . . . . . 56 ASP CA . 52895 1 336 . 1 . 1 60 60 ASP CB C 13 40.839 0.000 . 1 . . . . . 56 ASP CB . 52895 1 337 . 1 . 1 60 60 ASP N N 15 119.758 0.000 . 1 . . . . . 56 ASP N . 52895 1 338 . 1 . 1 61 61 ASN H H 1 8.242 0.001 . 1 . . . . . 57 ASN H . 52895 1 339 . 1 . 1 61 61 ASN C C 13 173.303 0.000 . 1 . . . . . 57 ASN C . 52895 1 340 . 1 . 1 61 61 ASN N N 15 118.990 0.000 . 1 . . . . . 57 ASN N . 52895 1 341 . 1 . 1 62 62 PRO C C 13 177.119 0.000 . 1 . . . . . 58 PRO C . 52895 1 342 . 1 . 1 62 62 PRO CA C 13 63.538 0.000 . 1 . . . . . 58 PRO CA . 52895 1 343 . 1 . 1 62 62 PRO CB C 13 31.983 0.000 . 1 . . . . . 58 PRO CB . 52895 1 344 . 1 . 1 62 62 PRO CG C 13 27.111 0.000 . 1 . . . . . 58 PRO CG . 52895 1 345 . 1 . 1 62 62 PRO CD C 13 50.561 0.000 . 1 . . . . . 58 PRO CD . 52895 1 346 . 1 . 1 63 63 ARG H H 1 8.280 0.001 . 1 . . . . . 59 ARG H . 52895 1 347 . 1 . 1 63 63 ARG C C 13 176.654 0.000 . 1 . . . . . 59 ARG C . 52895 1 348 . 1 . 1 63 63 ARG CA C 13 56.685 0.000 . 1 . . . . . 59 ARG CA . 52895 1 349 . 1 . 1 63 63 ARG CB C 13 30.421 0.000 . 1 . . . . . 59 ARG CB . 52895 1 350 . 1 . 1 63 63 ARG CG C 13 27.006 0.000 . 1 . . . . . 59 ARG CG . 52895 1 351 . 1 . 1 63 63 ARG CD C 13 43.021 0.000 . 1 . . . . . 59 ARG CD . 52895 1 352 . 1 . 1 63 63 ARG N N 15 119.617 0.000 . 1 . . . . . 59 ARG N . 52895 1 353 . 1 . 1 64 64 GLU H H 1 8.121 0.000 . 1 . . . . . 60 GLU H . 52895 1 354 . 1 . 1 64 64 GLU C C 13 176.225 0.000 . 1 . . . . . 60 GLU C . 52895 1 355 . 1 . 1 64 64 GLU CA C 13 57.096 0.000 . 1 . . . . . 60 GLU CA . 52895 1 356 . 1 . 1 64 64 GLU CB C 13 30.085 0.000 . 1 . . . . . 60 GLU CB . 52895 1 357 . 1 . 1 64 64 GLU CG C 13 36.369 0.000 . 1 . . . . . 60 GLU CG . 52895 1 358 . 1 . 1 64 64 GLU N N 15 120.339 0.000 . 1 . . . . . 60 GLU N . 52895 1 359 . 1 . 1 65 65 PHE H H 1 8.076 0.001 . 1 . . . . . 61 PHE H . 52895 1 360 . 1 . 1 65 65 PHE C C 13 176.761 0.000 . 1 . . . . . 61 PHE C . 52895 1 361 . 1 . 1 65 65 PHE CA C 13 58.145 0.000 . 1 . . . . . 61 PHE CA . 52895 1 362 . 1 . 1 65 65 PHE CB C 13 39.480 0.000 . 1 . . . . . 61 PHE CB . 52895 1 363 . 1 . 1 65 65 PHE N N 15 120.742 0.000 . 1 . . . . . 61 PHE N . 52895 1 364 . 1 . 1 66 66 PHE H H 1 8.070 0.001 . 1 . . . . . 62 PHE H . 52895 1 365 . 1 . 1 66 66 PHE C C 13 175.566 0.000 . 1 . . . . . 62 PHE C . 52895 1 366 . 1 . 1 66 66 PHE CA C 13 57.986 0.000 . 1 . . . . . 62 PHE CA . 52895 1 367 . 1 . 1 66 66 PHE CB C 13 39.360 0.000 . 1 . . . . . 62 PHE CB . 52895 1 368 . 1 . 1 66 66 PHE N N 15 120.737 0.000 . 1 . . . . . 62 PHE N . 52895 1 369 . 1 . 1 67 67 LYS H H 1 8.080 0.000 . 1 . . . . . 63 LYS H . 52895 1 370 . 1 . 1 67 67 LYS C C 13 176.443 0.000 . 1 . . . . . 63 LYS C . 52895 1 371 . 1 . 1 67 67 LYS CA C 13 56.515 0.000 . 1 . . . . . 63 LYS CA . 52895 1 372 . 1 . 1 67 67 LYS CB C 13 32.901 0.000 . 1 . . . . . 63 LYS CB . 52895 1 373 . 1 . 1 67 67 LYS CG C 13 24.629 0.000 . 1 . . . . . 63 LYS CG . 52895 1 374 . 1 . 1 67 67 LYS CD C 13 29.079 0.000 . 1 . . . . . 63 LYS CD . 52895 1 375 . 1 . 1 67 67 LYS N N 15 122.580 0.000 . 1 . . . . . 63 LYS N . 52895 1 376 . 1 . 1 68 68 GLN H H 1 8.305 0.000 . 1 . . . . . 64 GLN H . 52895 1 377 . 1 . 1 68 68 GLN C C 13 176.166 0.000 . 1 . . . . . 64 GLN C . 52895 1 378 . 1 . 1 68 68 GLN CA C 13 56.426 0.000 . 1 . . . . . 64 GLN CA . 52895 1 379 . 1 . 1 68 68 GLN CB C 13 28.967 0.000 . 1 . . . . . 64 GLN CB . 52895 1 380 . 1 . 1 68 68 GLN CG C 13 33.602 0.000 . 1 . . . . . 64 GLN CG . 52895 1 381 . 1 . 1 68 68 GLN N N 15 121.342 0.000 . 1 . . . . . 64 GLN N . 52895 1 382 . 1 . 1 69 69 GLN H H 1 8.373 0.001 . 1 . . . . . 65 GLN H . 52895 1 383 . 1 . 1 69 69 GLN C C 13 176.740 0.000 . 1 . . . . . 65 GLN C . 52895 1 384 . 1 . 1 69 69 GLN CA C 13 56.175 0.000 . 1 . . . . . 65 GLN CA . 52895 1 385 . 1 . 1 69 69 GLN CB C 13 29.277 0.000 . 1 . . . . . 65 GLN CB . 52895 1 386 . 1 . 1 69 69 GLN CG C 13 33.733 0.000 . 1 . . . . . 65 GLN CG . 52895 1 387 . 1 . 1 69 69 GLN N N 15 121.118 0.000 . 1 . . . . . 65 GLN N . 52895 1 388 . 1 . 1 70 70 GLU H H 1 8.400 0.000 . 1 . . . . . 66 GLU H . 52895 1 389 . 1 . 1 70 70 GLU C C 13 176.475 0.000 . 1 . . . . . 66 GLU C . 52895 1 390 . 1 . 1 70 70 GLU CA C 13 56.707 0.000 . 1 . . . . . 66 GLU CA . 52895 1 391 . 1 . 1 70 70 GLU CB C 13 30.301 0.000 . 1 . . . . . 66 GLU CB . 52895 1 392 . 1 . 1 70 70 GLU CG C 13 36.256 0.000 . 1 . . . . . 66 GLU CG . 52895 1 393 . 1 . 1 70 70 GLU N N 15 122.052 0.000 . 1 . . . . . 66 GLU N . 52895 1 394 . 1 . 1 71 71 ARG H H 1 8.323 0.001 . 1 . . . . . 67 ARG H . 52895 1 395 . 1 . 1 71 71 ARG C C 13 176.314 0.000 . 1 . . . . . 67 ARG C . 52895 1 396 . 1 . 1 71 71 ARG CA C 13 56.082 0.000 . 1 . . . . . 67 ARG CA . 52895 1 397 . 1 . 1 71 71 ARG CB C 13 30.702 0.000 . 1 . . . . . 67 ARG CB . 52895 1 398 . 1 . 1 71 71 ARG CG C 13 27.070 0.000 . 1 . . . . . 67 ARG CG . 52895 1 399 . 1 . 1 71 71 ARG CD C 13 43.110 0.000 . 1 . . . . . 67 ARG CD . 52895 1 400 . 1 . 1 71 71 ARG N N 15 122.011 0.000 . 1 . . . . . 67 ARG N . 52895 1 401 . 1 . 1 72 72 VAL H H 1 8.139 0.001 . 1 . . . . . 68 VAL H . 52895 1 402 . 1 . 1 72 72 VAL C C 13 176.073 0.000 . 1 . . . . . 68 VAL C . 52895 1 403 . 1 . 1 72 72 VAL CA C 13 62.174 0.000 . 1 . . . . . 68 VAL CA . 52895 1 404 . 1 . 1 72 72 VAL CB C 13 32.628 0.000 . 1 . . . . . 68 VAL CB . 52895 1 405 . 1 . 1 72 72 VAL CG1 C 13 20.951 0.000 . 2 . . . . . 68 VAL CG1 . 52895 1 406 . 1 . 1 72 72 VAL CG2 C 13 20.693 0.000 . 2 . . . . . 68 VAL CG2 . 52895 1 407 . 1 . 1 72 72 VAL N N 15 121.408 0.000 . 1 . . . . . 68 VAL N . 52895 1 408 . 1 . 1 73 73 ALA H H 1 8.426 0.001 . 1 . . . . . 69 ALA H . 52895 1 409 . 1 . 1 73 73 ALA C C 13 177.816 0.000 . 1 . . . . . 69 ALA C . 52895 1 410 . 1 . 1 73 73 ALA CA C 13 52.572 0.000 . 1 . . . . . 69 ALA CA . 52895 1 411 . 1 . 1 73 73 ALA CB C 13 19.080 0.000 . 1 . . . . . 69 ALA CB . 52895 1 412 . 1 . 1 73 73 ALA N N 15 127.727 0.001 . 1 . . . . . 69 ALA N . 52895 1 413 . 1 . 1 74 74 SER H H 1 8.241 0.001 . 1 . . . . . 70 SER H . 52895 1 414 . 1 . 1 74 74 SER C C 13 174.501 0.000 . 1 . . . . . 70 SER C . 52895 1 415 . 1 . 1 74 74 SER CA C 13 58.212 0.000 . 1 . . . . . 70 SER CA . 52895 1 416 . 1 . 1 74 74 SER CB C 13 63.726 0.000 . 1 . . . . . 70 SER CB . 52895 1 417 . 1 . 1 74 74 SER N N 15 115.001 0.000 . 1 . . . . . 70 SER N . 52895 1 418 . 1 . 1 75 75 ALA H H 1 8.356 0.001 . 1 . . . . . 71 ALA H . 52895 1 419 . 1 . 1 75 75 ALA C C 13 177.836 0.000 . 1 . . . . . 71 ALA C . 52895 1 420 . 1 . 1 75 75 ALA CA C 13 52.553 0.000 . 1 . . . . . 71 ALA CA . 52895 1 421 . 1 . 1 75 75 ALA CB C 13 19.176 0.000 . 1 . . . . . 71 ALA CB . 52895 1 422 . 1 . 1 75 75 ALA N N 15 126.020 0.000 . 1 . . . . . 71 ALA N . 52895 1 423 . 1 . 1 76 76 SER H H 1 8.240 0.001 . 1 . . . . . 72 SER H . 52895 1 424 . 1 . 1 76 76 SER C C 13 174.465 0.000 . 1 . . . . . 72 SER C . 52895 1 425 . 1 . 1 76 76 SER CA C 13 58.264 0.000 . 1 . . . . . 72 SER CA . 52895 1 426 . 1 . 1 76 76 SER CB C 13 63.945 0.000 . 1 . . . . . 72 SER CB . 52895 1 427 . 1 . 1 76 76 SER N N 15 114.686 0.000 . 1 . . . . . 72 SER N . 52895 1 428 . 1 . 1 77 77 ALA H H 1 8.301 0.000 . 1 . . . . . 73 ALA H . 52895 1 429 . 1 . 1 77 77 ALA C C 13 178.130 0.000 . 1 . . . . . 73 ALA C . 52895 1 430 . 1 . 1 77 77 ALA CA C 13 52.619 0.000 . 1 . . . . . 73 ALA CA . 52895 1 431 . 1 . 1 77 77 ALA CB C 13 19.164 0.000 . 1 . . . . . 73 ALA CB . 52895 1 432 . 1 . 1 77 77 ALA N N 15 126.010 0.000 . 1 . . . . . 73 ALA N . 52895 1 433 . 1 . 1 78 78 GLY H H 1 8.387 0.000 . 1 . . . . . 74 GLY H . 52895 1 434 . 1 . 1 78 78 GLY C C 13 174.240 0.000 . 1 . . . . . 74 GLY C . 52895 1 435 . 1 . 1 78 78 GLY CA C 13 45.414 0.000 . 1 . . . . . 74 GLY CA . 52895 1 436 . 1 . 1 78 78 GLY N N 15 108.144 0.000 . 1 . . . . . 74 GLY N . 52895 1 437 . 1 . 1 79 79 SER H H 1 8.208 0.001 . 1 . . . . . 75 SER H . 52895 1 438 . 1 . 1 79 79 SER C C 13 174.583 0.000 . 1 . . . . . 75 SER C . 52895 1 439 . 1 . 1 79 79 SER CA C 13 58.100 0.000 . 1 . . . . . 75 SER CA . 52895 1 440 . 1 . 1 79 79 SER CB C 13 64.017 0.000 . 1 . . . . . 75 SER CB . 52895 1 441 . 1 . 1 79 79 SER N N 15 115.472 0.000 . 1 . . . . . 75 SER N . 52895 1 442 . 1 . 1 80 80 CYS H H 1 8.454 0.001 . 1 . . . . . 76 CYS H . 52895 1 443 . 1 . 1 80 80 CYS C C 13 174.014 0.000 . 1 . . . . . 76 CYS C . 52895 1 444 . 1 . 1 80 80 CYS CA C 13 58.298 0.000 . 1 . . . . . 76 CYS CA . 52895 1 445 . 1 . 1 80 80 CYS CB C 13 28.110 0.000 . 1 . . . . . 76 CYS CB . 52895 1 446 . 1 . 1 80 80 CYS N N 15 120.522 0.000 . 1 . . . . . 76 CYS N . 52895 1 447 . 1 . 1 81 81 ASP H H 1 8.405 0.000 . 1 . . . . . 77 ASP H . 52895 1 448 . 1 . 1 81 81 ASP C C 13 175.615 0.000 . 1 . . . . . 77 ASP C . 52895 1 449 . 1 . 1 81 81 ASP CA C 13 54.710 0.000 . 1 . . . . . 77 ASP CA . 52895 1 450 . 1 . 1 81 81 ASP CB C 13 41.191 0.000 . 1 . . . . . 77 ASP CB . 52895 1 451 . 1 . 1 81 81 ASP N N 15 122.829 0.000 . 1 . . . . . 77 ASP N . 52895 1 452 . 1 . 1 82 82 VAL H H 1 8.024 0.001 . 1 . . . . . 78 VAL H . 52895 1 453 . 1 . 1 82 82 VAL C C 13 174.266 0.000 . 1 . . . . . 78 VAL C . 52895 1 454 . 1 . 1 82 82 VAL N N 15 121.215 0.000 . 1 . . . . . 78 VAL N . 52895 1 455 . 1 . 1 83 83 PRO C C 13 176.554 0.000 . 1 . . . . . 79 PRO C . 52895 1 456 . 1 . 1 83 83 PRO CA C 13 63.227 0.000 . 1 . . . . . 79 PRO CA . 52895 1 457 . 1 . 1 83 83 PRO CB C 13 32.166 0.000 . 1 . . . . . 79 PRO CB . 52895 1 458 . 1 . 1 83 83 PRO CG C 13 27.262 0.000 . 1 . . . . . 79 PRO CG . 52895 1 459 . 1 . 1 83 83 PRO CD C 13 51.083 0.000 . 1 . . . . . 79 PRO CD . 52895 1 460 . 1 . 1 84 84 SER H H 1 8.430 0.002 . 1 . . . . . 80 SER H . 52895 1 461 . 1 . 1 84 84 SER C C 13 173.524 0.000 . 1 . . . . . 80 SER C . 52895 1 462 . 1 . 1 84 84 SER N N 15 117.245 0.000 . 1 . . . . . 80 SER N . 52895 1 463 . 1 . 1 85 85 PRO C C 13 176.608 0.000 . 1 . . . . . 81 PRO C . 52895 1 464 . 1 . 1 85 85 PRO CA C 13 63.204 0.000 . 1 . . . . . 81 PRO CA . 52895 1 465 . 1 . 1 85 85 PRO CB C 13 31.801 0.000 . 1 . . . . . 81 PRO CB . 52895 1 466 . 1 . 1 85 85 PRO CG C 13 26.858 0.000 . 1 . . . . . 81 PRO CG . 52895 1 467 . 1 . 1 85 85 PRO CD C 13 50.603 0.000 . 1 . . . . . 81 PRO CD . 52895 1 468 . 1 . 1 86 86 PHE H H 1 8.005 0.001 . 1 . . . . . 82 PHE H . 52895 1 469 . 1 . 1 86 86 PHE C C 13 175.366 0.000 . 1 . . . . . 82 PHE C . 52895 1 470 . 1 . 1 86 86 PHE CA C 13 57.253 0.000 . 1 . . . . . 82 PHE CA . 52895 1 471 . 1 . 1 86 86 PHE CB C 13 39.260 0.000 . 1 . . . . . 82 PHE CB . 52895 1 472 . 1 . 1 86 86 PHE N N 15 118.412 0.000 . 1 . . . . . 82 PHE N . 52895 1 473 . 1 . 1 87 87 ASN H H 1 8.122 0.001 . 1 . . . . . 83 ASN H . 52895 1 474 . 1 . 1 87 87 ASN C C 13 174.379 0.000 . 1 . . . . . 83 ASN C . 52895 1 475 . 1 . 1 87 87 ASN CB C 13 38.868 0.000 . 1 . . . . . 83 ASN CB . 52895 1 476 . 1 . 1 87 87 ASN N N 15 119.546 0.000 . 1 . . . . . 83 ASN N . 52895 1 477 . 1 . 1 88 88 HIS H H 1 8.181 0.000 . 1 . . . . . 84 HIS H . 52895 1 478 . 1 . 1 88 88 HIS C C 13 173.637 0.000 . 1 . . . . . 84 HIS C . 52895 1 479 . 1 . 1 88 88 HIS CA C 13 55.045 0.000 . 1 . . . . . 84 HIS CA . 52895 1 480 . 1 . 1 88 88 HIS CB C 13 29.431 0.000 . 1 . . . . . 84 HIS CB . 52895 1 481 . 1 . 1 88 88 HIS N N 15 119.138 0.004 . 1 . . . . . 84 HIS N . 52895 1 482 . 1 . 1 89 89 ARG H H 1 8.121 0.004 . 1 . . . . . 85 ARG H . 52895 1 483 . 1 . 1 89 89 ARG C C 13 171.985 0.000 . 1 . . . . . 85 ARG C . 52895 1 484 . 1 . 1 89 89 ARG N N 15 127.523 0.000 . 1 . . . . . 85 ARG N . 52895 1 stop_ save_