################################### # 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 34163 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34163 1 2 '2D 1H-13C HSQC' . . . 34163 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.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 6 6 LYS H H 1 8.194 0.020 . . . . . . A 4 LYS H . 34163 1 2 . 1 1 6 6 LYS HA H 1 3.577 0.020 . . . . . . A 4 LYS HA . 34163 1 3 . 1 1 6 6 LYS CA C 13 59.001 0.400 . . . . . . A 4 LYS CA . 34163 1 4 . 1 1 6 6 LYS CB C 13 31.762 0.400 . . . . . . A 4 LYS CB . 34163 1 5 . 1 1 6 6 LYS N N 15 118.812 0.400 . . . . . . A 4 LYS N . 34163 1 6 . 1 1 7 7 GLU H H 1 7.841 0.020 . . . . . . A 5 GLU H . 34163 1 7 . 1 1 7 7 GLU HA H 1 4.09 0.020 . . . . . . A 5 GLU HA . 34163 1 8 . 1 1 7 7 GLU CA C 13 58.575 0.400 . . . . . . A 5 GLU CA . 34163 1 9 . 1 1 7 7 GLU CB C 13 29.324 0.400 . . . . . . A 5 GLU CB . 34163 1 10 . 1 1 7 7 GLU N N 15 119.921 0.400 . . . . . . A 5 GLU N . 34163 1 11 . 1 1 8 8 LEU H H 1 7.816 0.020 . . . . . . A 6 LEU H . 34163 1 12 . 1 1 8 8 LEU HA H 1 4.04 0.020 . . . . . . A 6 LEU HA . 34163 1 13 . 1 1 8 8 LEU CA C 13 57.703 0.400 . . . . . . A 6 LEU CA . 34163 1 14 . 1 1 8 8 LEU CB C 13 40.55 0.400 . . . . . . A 6 LEU CB . 34163 1 15 . 1 1 8 8 LEU N N 15 120.555 0.400 . . . . . . A 6 LEU N . 34163 1 16 . 1 1 9 9 ALA H H 1 8.471 0.020 . . . . . . A 7 ALA H . 34163 1 17 . 1 1 9 9 ALA CA C 13 55.148 0.400 . . . . . . A 7 ALA CA . 34163 1 18 . 1 1 9 9 ALA CB C 13 17.649 0.400 . . . . . . A 7 ALA CB . 34163 1 19 . 1 1 9 9 ALA N N 15 120.485 0.400 . . . . . . A 7 ALA N . 34163 1 20 . 1 1 10 10 ALA H H 1 7.718 0.020 . . . . . . A 8 ALA H . 34163 1 21 . 1 1 10 10 ALA HA H 1 4.007 0.020 . . . . . . A 8 ALA HA . 34163 1 22 . 1 1 10 10 ALA CA C 13 54.587 0.400 . . . . . . A 8 ALA CA . 34163 1 23 . 1 1 10 10 ALA CB C 13 17.456 0.400 . . . . . . A 8 ALA CB . 34163 1 24 . 1 1 10 10 ALA N N 15 119.352 0.400 . . . . . . A 8 ALA N . 34163 1 25 . 1 1 11 11 GLN H H 1 8.013 0.020 . . . . . . A 9 GLN H . 34163 1 26 . 1 1 11 11 GLN HA H 1 4.073 0.020 . . . . . . A 9 GLN HA . 34163 1 27 . 1 1 11 11 GLN CA C 13 58.637 0.400 . . . . . . A 9 GLN CA . 34163 1 28 . 1 1 11 11 GLN CB C 13 27.848 0.400 . . . . . . A 9 GLN CB . 34163 1 29 . 1 1 11 11 GLN N N 15 118.09 0.400 . . . . . . A 9 GLN N . 34163 1 30 . 1 1 12 12 ILE H H 1 8.589 0.020 . . . . . . A 10 ILE H . 34163 1 31 . 1 1 12 12 ILE HA H 1 3.462 0.020 . . . . . . A 10 ILE HA . 34163 1 32 . 1 1 12 12 ILE CA C 13 65.368 0.400 . . . . . . A 10 ILE CA . 34163 1 33 . 1 1 12 12 ILE CB C 13 37.471 0.400 . . . . . . A 10 ILE CB . 34163 1 34 . 1 1 12 12 ILE N N 15 120.382 0.400 . . . . . . A 10 ILE N . 34163 1 35 . 1 1 13 13 ALA H H 1 8.361 0.020 . . . . . . A 11 ALA H . 34163 1 36 . 1 1 13 13 ALA HA H 1 3.652 0.020 . . . . . . A 11 ALA HA . 34163 1 37 . 1 1 13 13 ALA CA C 13 54.709 0.400 . . . . . . A 11 ALA CA . 34163 1 38 . 1 1 13 13 ALA CB C 13 17.52 0.400 . . . . . . A 11 ALA CB . 34163 1 39 . 1 1 13 13 ALA N N 15 120.561 0.400 . . . . . . A 11 ALA N . 34163 1 40 . 1 1 14 14 GLU H H 1 7.595 0.020 . . . . . . A 12 GLU H . 34163 1 41 . 1 1 14 14 GLU HA H 1 3.974 0.020 . . . . . . A 12 GLU HA . 34163 1 42 . 1 1 14 14 GLU CA C 13 58.201 0.400 . . . . . . A 12 GLU CA . 34163 1 43 . 1 1 14 14 GLU CB C 13 29.581 0.400 . . . . . . A 12 GLU CB . 34163 1 44 . 1 1 14 14 GLU N N 15 114.766 0.400 . . . . . . A 12 GLU N . 34163 1 45 . 1 1 15 15 LYS H H 1 7.856 0.020 . . . . . . A 13 LYS H . 34163 1 46 . 1 1 15 15 LYS HA H 1 3.834 0.020 . . . . . . A 13 LYS HA . 34163 1 47 . 1 1 15 15 LYS CA C 13 57.204 0.400 . . . . . . A 13 LYS CA . 34163 1 48 . 1 1 15 15 LYS CB C 13 31.569 0.400 . . . . . . A 13 LYS CB . 34163 1 49 . 1 1 15 15 LYS N N 15 119.235 0.400 . . . . . . A 13 LYS N . 34163 1 50 . 1 1 16 16 PHE H H 1 7.864 0.020 . . . . . . A 14 PHE H . 34163 1 51 . 1 1 16 16 PHE HA H 1 4.685 0.020 . . . . . . A 14 PHE HA . 34163 1 52 . 1 1 16 16 PHE CA C 13 56.612 0.400 . . . . . . A 14 PHE CA . 34163 1 53 . 1 1 16 16 PHE CB C 13 36.637 0.400 . . . . . . A 14 PHE CB . 34163 1 54 . 1 1 16 16 PHE N N 15 114.764 0.400 . . . . . . A 14 PHE N . 34163 1 55 . 1 1 17 17 THR H H 1 6.798 0.020 . . . . . . A 15 THR H . 34163 1 56 . 1 1 17 17 THR HA H 1 4.296 0.020 . . . . . . A 15 THR HA . 34163 1 57 . 1 1 17 17 THR CA C 13 64.184 0.400 . . . . . . A 15 THR CA . 34163 1 58 . 1 1 17 17 THR CB C 13 68.904 0.400 . . . . . . A 15 THR CB . 34163 1 59 . 1 1 17 17 THR N N 15 115.568 0.400 . . . . . . A 15 THR N . 34163 1 60 . 1 1 18 18 ASP H H 1 8.713 0.020 . . . . . . A 16 ASP H . 34163 1 61 . 1 1 18 18 ASP HA H 1 4.47 0.020 . . . . . . A 16 ASP HA . 34163 1 62 . 1 1 18 18 ASP CA C 13 55.366 0.400 . . . . . . A 16 ASP CA . 34163 1 63 . 1 1 18 18 ASP CB C 13 39.844 0.400 . . . . . . A 16 ASP CB . 34163 1 64 . 1 1 18 18 ASP N N 15 117.676 0.400 . . . . . . A 16 ASP N . 34163 1 65 . 1 1 19 19 VAL H H 1 7.831 0.020 . . . . . . A 17 VAL H . 34163 1 66 . 1 1 19 19 VAL HA H 1 4.181 0.020 . . . . . . A 17 VAL HA . 34163 1 67 . 1 1 19 19 VAL CA C 13 62.189 0.400 . . . . . . A 17 VAL CA . 34163 1 68 . 1 1 19 19 VAL CB C 13 34.007 0.400 . . . . . . A 17 VAL CB . 34163 1 69 . 1 1 19 19 VAL N N 15 114.619 0.400 . . . . . . A 17 VAL N . 34163 1 70 . 1 1 20 20 LEU H H 1 8.087 0.020 . . . . . . A 18 LEU H . 34163 1 71 . 1 1 20 20 LEU HA H 1 4.858 0.020 . . . . . . A 18 LEU HA . 34163 1 72 . 1 1 20 20 LEU CA C 13 53.122 0.400 . . . . . . A 18 LEU CA . 34163 1 73 . 1 1 20 20 LEU CB C 13 44.271 0.400 . . . . . . A 18 LEU CB . 34163 1 74 . 1 1 20 20 LEU N N 15 118.232 0.400 . . . . . . A 18 LEU N . 34163 1 75 . 1 1 21 21 SER H H 1 9.491 0.020 . . . . . . A 19 SER H . 34163 1 76 . 1 1 21 21 SER HA H 1 4.619 0.020 . . . . . . A 19 SER HA . 34163 1 77 . 1 1 21 21 SER CA C 13 56.363 0.400 . . . . . . A 19 SER CA . 34163 1 78 . 1 1 21 21 SER CB C 13 65.44 0.400 . . . . . . A 19 SER CB . 34163 1 79 . 1 1 21 21 SER N N 15 119.583 0.400 . . . . . . A 19 SER N . 34163 1 80 . 1 1 22 22 LYS H H 1 8.837 0.020 . . . . . . A 20 LYS H . 34163 1 81 . 1 1 22 22 LYS HA H 1 3.42 0.020 . . . . . . A 20 LYS HA . 34163 1 82 . 1 1 22 22 LYS CA C 13 59.915 0.400 . . . . . . A 20 LYS CA . 34163 1 83 . 1 1 22 22 LYS N N 15 121.334 0.400 . . . . . . A 20 LYS N . 34163 1 84 . 1 1 23 23 THR H H 1 7.882 0.020 . . . . . . A 21 THR H . 34163 1 85 . 1 1 23 23 THR CA C 13 65.523 0.400 . . . . . . A 21 THR CA . 34163 1 86 . 1 1 23 23 THR CB C 13 68.125 0.400 . . . . . . A 21 THR CB . 34163 1 87 . 1 1 23 23 THR N N 15 113.627 0.400 . . . . . . A 21 THR N . 34163 1 88 . 1 1 24 24 HIS H H 1 7.646 0.020 . . . . . . A 22 HIS H . 34163 1 89 . 1 1 24 24 HIS HA H 1 4.363 0.020 . . . . . . A 22 HIS HA . 34163 1 90 . 1 1 24 24 HIS CA C 13 59.35 0.400 . . . . . . A 22 HIS CA . 34163 1 91 . 1 1 24 24 HIS CB C 13 31.234 0.400 . . . . . . A 22 HIS CB . 34163 1 92 . 1 1 24 24 HIS N N 15 121.681 0.400 . . . . . . A 22 HIS N . 34163 1 93 . 1 1 25 25 ALA H H 1 8.515 0.020 . . . . . . A 23 ALA H . 34163 1 94 . 1 1 25 25 ALA HA H 1 3.726 0.020 . . . . . . A 23 ALA HA . 34163 1 95 . 1 1 25 25 ALA CA C 13 55.49 0.400 . . . . . . A 23 ALA CA . 34163 1 96 . 1 1 25 25 ALA CB C 13 17.898 0.400 . . . . . . A 23 ALA CB . 34163 1 97 . 1 1 25 25 ALA N N 15 120.852 0.400 . . . . . . A 23 ALA N . 34163 1 98 . 1 1 26 26 GLU H H 1 8.178 0.020 . . . . . . A 24 GLU H . 34163 1 99 . 1 1 26 26 GLU HA H 1 3.792 0.020 . . . . . . A 24 GLU HA . 34163 1 100 . 1 1 26 26 GLU CA C 13 59.65 0.400 . . . . . . A 24 GLU CA . 34163 1 101 . 1 1 26 26 GLU CB C 13 28.679 0.400 . . . . . . A 24 GLU CB . 34163 1 102 . 1 1 26 26 GLU N N 15 120.616 0.400 . . . . . . A 24 GLU N . 34163 1 103 . 1 1 27 27 GLU H H 1 8.165 0.020 . . . . . . A 25 GLU H . 34163 1 104 . 1 1 27 27 GLU HA H 1 4.148 0.020 . . . . . . A 25 GLU HA . 34163 1 105 . 1 1 27 27 GLU CA C 13 59.742 0.400 . . . . . . A 25 GLU CA . 34163 1 106 . 1 1 27 27 GLU CB C 13 29.489 0.400 . . . . . . A 25 GLU CB . 34163 1 107 . 1 1 27 27 GLU N N 15 120.668 0.400 . . . . . . A 25 GLU N . 34163 1 108 . 1 1 28 28 ILE H H 1 8.811 0.020 . . . . . . A 26 ILE H . 34163 1 109 . 1 1 28 28 ILE HA H 1 4.671 0.020 . . . . . . A 26 ILE HA . 34163 1 110 . 1 1 28 28 ILE CA C 13 65.149 0.400 . . . . . . A 26 ILE CA . 34163 1 111 . 1 1 28 28 ILE CB C 13 37.599 0.400 . . . . . . A 26 ILE CB . 34163 1 112 . 1 1 28 28 ILE N N 15 121.133 0.400 . . . . . . A 26 ILE N . 34163 1 113 . 1 1 29 29 THR H H 1 7.941 0.020 . . . . . . A 27 THR H . 34163 1 114 . 1 1 29 29 THR HA H 1 3.528 0.020 . . . . . . A 27 THR HA . 34163 1 115 . 1 1 29 29 THR CA C 13 68.546 0.400 . . . . . . A 27 THR CA . 34163 1 116 . 1 1 29 29 THR CB C 13 67.429 0.400 . . . . . . A 27 THR CB . 34163 1 117 . 1 1 29 29 THR N N 15 117.254 0.400 . . . . . . A 27 THR N . 34163 1 118 . 1 1 30 30 ASN H H 1 8.346 0.020 . . . . . . A 28 ASN H . 34163 1 119 . 1 1 30 30 ASN HA H 1 4.39 0.020 . . . . . . A 28 ASN HA . 34163 1 120 . 1 1 30 30 ASN CA C 13 56.207 0.400 . . . . . . A 28 ASN CA . 34163 1 121 . 1 1 30 30 ASN CB C 13 37.278 0.400 . . . . . . A 28 ASN CB . 34163 1 122 . 1 1 30 30 ASN N N 15 119.921 0.400 . . . . . . A 28 ASN N . 34163 1 123 . 1 1 31 31 PHE H H 1 8.199 0.020 . . . . . . A 29 PHE H . 34163 1 124 . 1 1 31 31 PHE HA H 1 4.418 0.020 . . . . . . A 29 PHE HA . 34163 1 125 . 1 1 31 31 PHE CA C 13 61.255 0.400 . . . . . . A 29 PHE CA . 34163 1 126 . 1 1 31 31 PHE CB C 13 39.01 0.400 . . . . . . A 29 PHE CB . 34163 1 127 . 1 1 31 31 PHE N N 15 121.308 0.400 . . . . . . A 29 PHE N . 34163 1 128 . 1 1 32 32 VAL H H 1 8.781 0.020 . . . . . . A 30 VAL H . 34163 1 129 . 1 1 32 32 VAL HA H 1 3.419 0.020 . . . . . . A 30 VAL HA . 34163 1 130 . 1 1 32 32 VAL CA C 13 66.707 0.400 . . . . . . A 30 VAL CA . 34163 1 131 . 1 1 32 32 VAL CB C 13 31.056 0.400 . . . . . . A 30 VAL CB . 34163 1 132 . 1 1 32 32 VAL N N 15 119.361 0.400 . . . . . . A 30 VAL N . 34163 1 133 . 1 1 33 33 PHE H H 1 8.503 0.020 . . . . . . A 31 PHE H . 34163 1 134 . 1 1 33 33 PHE CA C 13 62.407 0.400 . . . . . . A 31 PHE CA . 34163 1 135 . 1 1 33 33 PHE CB C 13 38.241 0.400 . . . . . . A 31 PHE CB . 34163 1 136 . 1 1 33 33 PHE N N 15 118.678 0.400 . . . . . . A 31 PHE N . 34163 1 137 . 1 1 34 34 ASP H H 1 8.314 0.020 . . . . . . A 32 ASP H . 34163 1 138 . 1 1 34 34 ASP HA H 1 4.384 0.020 . . . . . . A 32 ASP HA . 34163 1 139 . 1 1 34 34 ASP CA C 13 57.266 0.400 . . . . . . A 32 ASP CA . 34163 1 140 . 1 1 34 34 ASP CB C 13 40.037 0.400 . . . . . . A 32 ASP CB . 34163 1 141 . 1 1 34 34 ASP N N 15 120.383 0.400 . . . . . . A 32 ASP N . 34163 1 142 . 1 1 35 35 HIS H H 1 8.084 0.020 . . . . . . A 33 HIS H . 34163 1 143 . 1 1 35 35 HIS HA H 1 3.843 0.020 . . . . . . A 33 HIS HA . 34163 1 144 . 1 1 35 35 HIS CA C 13 60.201 0.400 . . . . . . A 33 HIS CA . 34163 1 145 . 1 1 35 35 HIS CB C 13 29.709 0.400 . . . . . . A 33 HIS CB . 34163 1 146 . 1 1 35 35 HIS N N 15 120.359 0.400 . . . . . . A 33 HIS N . 34163 1 147 . 1 1 36 36 ILE H H 1 8.166 0.020 . . . . . . A 34 ILE H . 34163 1 148 . 1 1 36 36 ILE HA H 1 3.487 0.020 . . . . . . A 34 ILE HA . 34163 1 149 . 1 1 36 36 ILE CA C 13 60.149 0.400 . . . . . . A 34 ILE CA . 34163 1 150 . 1 1 36 36 ILE N N 15 119.379 0.400 . . . . . . A 34 ILE N . 34163 1 151 . 1 1 37 37 LYS H H 1 7.838 0.020 . . . . . . A 35 LYS H . 34163 1 152 . 1 1 37 37 LYS CA C 13 59.058 0.400 . . . . . . A 35 LYS CA . 34163 1 153 . 1 1 37 37 LYS CB C 13 31.826 0.400 . . . . . . A 35 LYS CB . 34163 1 154 . 1 1 37 37 LYS N N 15 116.828 0.400 . . . . . . A 35 LYS N . 34163 1 155 . 1 1 38 38 LYS H H 1 7.728 0.020 . . . . . . A 36 LYS H . 34163 1 156 . 1 1 38 38 LYS CA C 13 58.533 0.400 . . . . . . A 36 LYS CA . 34163 1 157 . 1 1 38 38 LYS CB C 13 32.018 0.400 . . . . . . A 36 LYS CB . 34163 1 158 . 1 1 38 38 LYS N N 15 116.975 0.400 . . . . . . A 36 LYS N . 34163 1 159 . 1 1 39 39 ALA H H 1 7.582 0.020 . . . . . . A 37 ALA H . 34163 1 160 . 1 1 39 39 ALA HA H 1 3.973 0.020 . . . . . . A 37 ALA HA . 34163 1 161 . 1 1 39 39 ALA CA C 13 53.932 0.400 . . . . . . A 37 ALA CA . 34163 1 162 . 1 1 39 39 ALA CB C 13 17.713 0.400 . . . . . . A 37 ALA CB . 34163 1 163 . 1 1 39 39 ALA N N 15 121.609 0.400 . . . . . . A 37 ALA N . 34163 1 164 . 1 1 40 40 LEU H H 1 7.912 0.020 . . . . . . A 38 LEU H . 34163 1 165 . 1 1 40 40 LEU HA H 1 4.089 0.020 . . . . . . A 38 LEU HA . 34163 1 166 . 1 1 40 40 LEU CA C 13 56.269 0.400 . . . . . . A 38 LEU CA . 34163 1 167 . 1 1 40 40 LEU CB C 13 41.576 0.400 . . . . . . A 38 LEU CB . 34163 1 168 . 1 1 40 40 LEU N N 15 117.963 0.400 . . . . . . A 38 LEU N . 34163 1 169 . 1 1 41 41 VAL H H 1 8.047 0.020 . . . . . . A 39 VAL H . 34163 1 170 . 1 1 41 41 VAL CA C 13 64.011 0.400 . . . . . . A 39 VAL CA . 34163 1 171 . 1 1 41 41 VAL N N 15 118.45 0.400 . . . . . . A 39 VAL N . 34163 1 172 . 1 1 42 42 ALA H H 1 7.716 0.020 . . . . . . A 40 ALA H . 34163 1 173 . 1 1 42 42 ALA CA C 13 52.312 0.400 . . . . . . A 40 ALA CA . 34163 1 174 . 1 1 42 42 ALA N N 15 122.524 0.400 . . . . . . A 40 ALA N . 34163 1 175 . 1 1 43 43 GLY H H 1 8 0.020 . . . . . . A 41 GLY H . 34163 1 176 . 1 1 43 43 GLY CA C 13 45.146 0.400 . . . . . . A 41 GLY CA . 34163 1 177 . 1 1 43 43 GLY N N 15 106.899 0.400 . . . . . . A 41 GLY N . 34163 1 178 . 1 1 44 44 LYS H H 1 7.765 0.020 . . . . . . A 42 LYS H . 34163 1 179 . 1 1 44 44 LYS CA C 13 57.058 0.400 . . . . . . A 42 LYS CA . 34163 1 180 . 1 1 44 44 LYS CB C 13 30.799 0.400 . . . . . . A 42 LYS CB . 34163 1 181 . 1 1 44 44 LYS N N 15 125.548 0.400 . . . . . . A 42 LYS N . 34163 1 182 . 1 1 51 51 PHE H H 1 8.482 0.020 . . . . . . A 49 PHE H . 34163 1 183 . 1 1 51 51 PHE HA H 1 4.801 0.020 . . . . . . A 49 PHE HA . 34163 1 184 . 1 1 51 51 PHE CA C 13 59.546 0.400 . . . . . . A 49 PHE CA . 34163 1 185 . 1 1 51 51 PHE N N 15 120.904 0.400 . . . . . . A 49 PHE N . 34163 1 186 . 1 1 52 52 GLY H H 1 8.517 0.020 . . . . . . A 50 GLY H . 34163 1 187 . 1 1 52 52 GLY HA3 H 1 3.664 0.020 . . . . . . A 50 GLY HA3 . 34163 1 188 . 1 1 52 52 GLY CA C 13 45.894 0.400 . . . . . . A 50 GLY CA . 34163 1 189 . 1 1 52 52 GLY N N 15 107.823 0.400 . . . . . . A 50 GLY N . 34163 1 190 . 1 1 53 53 LYS H H 1 7.842 0.020 . . . . . . A 51 LYS H . 34163 1 191 . 1 1 53 53 LYS CA C 13 53.678 0.400 . . . . . . A 51 LYS CA . 34163 1 192 . 1 1 53 53 LYS N N 15 118.713 0.400 . . . . . . A 51 LYS N . 34163 1 193 . 1 1 54 54 PHE H H 1 9.767 0.020 . . . . . . A 52 PHE H . 34163 1 194 . 1 1 54 54 PHE CA C 13 55.74 0.400 . . . . . . A 52 PHE CA . 34163 1 195 . 1 1 54 54 PHE N N 15 121.447 0.400 . . . . . . A 52 PHE N . 34163 1 196 . 1 1 55 55 ALA H H 1 8.848 0.020 . . . . . . A 53 ALA H . 34163 1 197 . 1 1 55 55 ALA HA H 1 4.801 0.020 . . . . . . A 53 ALA HA . 34163 1 198 . 1 1 55 55 ALA CA C 13 50.661 0.400 . . . . . . A 53 ALA CA . 34163 1 199 . 1 1 55 55 ALA CB C 13 22.396 0.400 . . . . . . A 53 ALA CB . 34163 1 200 . 1 1 55 55 ALA N N 15 122.62 0.400 . . . . . . A 53 ALA N . 34163 1 201 . 1 1 56 56 VAL H H 1 9.048 0.020 . . . . . . A 54 VAL H . 34163 1 202 . 1 1 56 56 VAL HA H 1 4.743 0.020 . . . . . . A 54 VAL HA . 34163 1 203 . 1 1 56 56 VAL CA C 13 61.784 0.400 . . . . . . A 54 VAL CA . 34163 1 204 . 1 1 56 56 VAL N N 15 121.714 0.400 . . . . . . A 54 VAL N . 34163 1 205 . 1 1 57 57 THR H H 1 8.005 0.020 . . . . . . A 55 THR H . 34163 1 206 . 1 1 57 57 THR HA H 1 4.038 0.020 . . . . . . A 55 THR HA . 34163 1 207 . 1 1 57 57 THR CA C 13 58.108 0.400 . . . . . . A 55 THR CA . 34163 1 208 . 1 1 57 57 THR N N 15 121.329 0.400 . . . . . . A 55 THR N . 34163 1 209 . 1 1 58 58 GLU H H 1 8.526 0.020 . . . . . . A 56 GLU H . 34163 1 210 . 1 1 58 58 GLU CA C 13 54.929 0.400 . . . . . . A 56 GLU CA . 34163 1 211 . 1 1 58 58 GLU N N 15 119.799 0.400 . . . . . . A 56 GLU N . 34163 1 212 . 1 1 59 59 ARG H H 1 7.881 0.020 . . . . . . A 57 ARG H . 34163 1 213 . 1 1 59 59 ARG CA C 13 54.618 0.400 . . . . . . A 57 ARG CA . 34163 1 214 . 1 1 59 59 ARG N N 15 119.652 0.400 . . . . . . A 57 ARG N . 34163 1 215 . 1 1 60 60 ALA H H 1 8.362 0.020 . . . . . . A 58 ALA H . 34163 1 216 . 1 1 60 60 ALA CA C 13 51.627 0.400 . . . . . . A 58 ALA CA . 34163 1 217 . 1 1 60 60 ALA N N 15 126.199 0.400 . . . . . . A 58 ALA N . 34163 1 218 . 1 1 61 61 ALA H H 1 8.534 0.020 . . . . . . A 59 ALA H . 34163 1 219 . 1 1 61 61 ALA CA C 13 52.298 0.400 . . . . . . A 59 ALA CA . 34163 1 220 . 1 1 61 61 ALA N N 15 123.487 0.400 . . . . . . A 59 ALA N . 34163 1 221 . 1 1 62 62 ARG H H 1 8.589 0.020 . . . . . . A 60 ARG H . 34163 1 222 . 1 1 62 62 ARG CA C 13 54.524 0.400 . . . . . . A 60 ARG CA . 34163 1 223 . 1 1 62 62 ARG N N 15 118.882 0.400 . . . . . . A 60 ARG N . 34163 1 224 . 1 1 63 63 ASP H H 1 8.405 0.020 . . . . . . A 61 ASP H . 34163 1 225 . 1 1 63 63 ASP CA C 13 53.532 0.400 . . . . . . A 61 ASP CA . 34163 1 226 . 1 1 63 63 ASP N N 15 120.711 0.400 . . . . . . A 61 ASP N . 34163 1 227 . 1 1 64 64 GLY H H 1 8.841 0.020 . . . . . . A 62 GLY H . 34163 1 228 . 1 1 64 64 GLY CA C 13 44.18 0.400 . . . . . . A 62 GLY CA . 34163 1 229 . 1 1 64 64 GLY N N 15 110.169 0.400 . . . . . . A 62 GLY N . 34163 1 230 . 1 1 68 68 SER H H 1 8.342 0.020 . . . . . . A 66 SER H . 34163 1 231 . 1 1 68 68 SER CA C 13 59.759 0.400 . . . . . . A 66 SER CA . 34163 1 232 . 1 1 68 68 SER N N 15 113.013 0.400 . . . . . . A 66 SER N . 34163 1 233 . 1 1 69 69 THR H H 1 7.432 0.020 . . . . . . A 67 THR H . 34163 1 234 . 1 1 69 69 THR CA C 13 61.068 0.400 . . . . . . A 67 THR CA . 34163 1 235 . 1 1 69 69 THR N N 15 108.578 0.400 . . . . . . A 67 THR N . 34163 1 236 . 1 1 70 70 GLY H H 1 8.484 0.020 . . . . . . A 68 GLY H . 34163 1 237 . 1 1 70 70 GLY CA C 13 45.177 0.400 . . . . . . A 68 GLY CA . 34163 1 238 . 1 1 70 70 GLY N N 15 110.926 0.400 . . . . . . A 68 GLY N . 34163 1 239 . 1 1 71 71 GLU H H 1 7.876 0.020 . . . . . . A 69 GLU H . 34163 1 240 . 1 1 71 71 GLU CA C 13 55.989 0.400 . . . . . . A 69 GLU CA . 34163 1 241 . 1 1 71 71 GLU CB C 13 30.797 0.400 . . . . . . A 69 GLU CB . 34163 1 242 . 1 1 71 71 GLU N N 15 120.233 0.400 . . . . . . A 69 GLU N . 34163 1 243 . 1 1 72 72 THR H H 1 8.658 0.020 . . . . . . A 70 THR H . 34163 1 244 . 1 1 72 72 THR CA C 13 62.906 0.400 . . . . . . A 70 THR CA . 34163 1 245 . 1 1 72 72 THR CB C 13 69.097 0.400 . . . . . . A 70 THR CB . 34163 1 246 . 1 1 72 72 THR N N 15 118.721 0.400 . . . . . . A 70 THR N . 34163 1 247 . 1 1 73 73 ILE H H 1 8.285 0.020 . . . . . . A 71 ILE H . 34163 1 248 . 1 1 73 73 ILE HA H 1 4.412 0.020 . . . . . . A 71 ILE HA . 34163 1 249 . 1 1 73 73 ILE CA C 13 59.229 0.400 . . . . . . A 71 ILE CA . 34163 1 250 . 1 1 73 73 ILE CB C 13 40.871 0.400 . . . . . . A 71 ILE CB . 34163 1 251 . 1 1 73 73 ILE N N 15 123.579 0.400 . . . . . . A 71 ILE N . 34163 1 252 . 1 1 74 74 LYS H H 1 8.469 0.020 . . . . . . A 72 LYS H . 34163 1 253 . 1 1 74 74 LYS CA C 13 54.805 0.400 . . . . . . A 72 LYS CA . 34163 1 254 . 1 1 74 74 LYS CB C 13 31.826 0.400 . . . . . . A 72 LYS CB . 34163 1 255 . 1 1 74 74 LYS N N 15 124.258 0.400 . . . . . . A 72 LYS N . 34163 1 256 . 1 1 75 75 ILE H H 1 8.971 0.020 . . . . . . A 73 ILE H . 34163 1 257 . 1 1 75 75 ILE HA H 1 4.437 0.020 . . . . . . A 73 ILE HA . 34163 1 258 . 1 1 75 75 ILE CA C 13 57.827 0.400 . . . . . . A 73 ILE CA . 34163 1 259 . 1 1 75 75 ILE N N 15 129.081 0.400 . . . . . . A 73 ILE N . 34163 1 260 . 1 1 77 77 ALA H H 1 8.533 0.020 . . . . . . A 75 ALA H . 34163 1 261 . 1 1 77 77 ALA CA C 13 52.25 0.400 . . . . . . A 75 ALA CA . 34163 1 262 . 1 1 77 77 ALA CB C 13 18.941 0.400 . . . . . . A 75 ALA CB . 34163 1 263 . 1 1 77 77 ALA N N 15 123.467 0.400 . . . . . . A 75 ALA N . 34163 1 264 . 1 1 78 78 SER H H 1 8.406 0.020 . . . . . . A 76 SER H . 34163 1 265 . 1 1 78 78 SER CA C 13 57.329 0.400 . . . . . . A 76 SER CA . 34163 1 266 . 1 1 78 78 SER CB C 13 65.312 0.400 . . . . . . A 76 SER CB . 34163 1 267 . 1 1 78 78 SER N N 15 113.829 0.400 . . . . . . A 76 SER N . 34163 1 268 . 1 1 79 79 LYS H H 1 9.462 0.020 . . . . . . A 77 LYS H . 34163 1 269 . 1 1 79 79 LYS CA C 13 55.21 0.400 . . . . . . A 77 LYS CA . 34163 1 270 . 1 1 79 79 LYS N N 15 123.183 0.400 . . . . . . A 77 LYS N . 34163 1 271 . 1 1 80 80 SER H H 1 8.782 0.020 . . . . . . A 78 SER H . 34163 1 272 . 1 1 80 80 SER HA H 1 4.462 0.020 . . . . . . A 78 SER HA . 34163 1 273 . 1 1 80 80 SER CA C 13 55.895 0.400 . . . . . . A 78 SER CA . 34163 1 274 . 1 1 80 80 SER N N 15 115.882 0.400 . . . . . . A 78 SER N . 34163 1 275 . 1 1 81 81 ALA H H 1 8.631 0.020 . . . . . . A 79 ALA H . 34163 1 276 . 1 1 81 81 ALA CA C 13 50.38 0.400 . . . . . . A 79 ALA CA . 34163 1 277 . 1 1 81 81 ALA N N 15 123.253 0.400 . . . . . . A 79 ALA N . 34163 1 278 . 1 1 82 82 LYS H H 1 9.303 0.020 . . . . . . A 80 LYS H . 34163 1 279 . 1 1 82 82 LYS HA H 1 4.933 0.020 . . . . . . A 80 LYS HA . 34163 1 280 . 1 1 82 82 LYS CA C 13 53.839 0.400 . . . . . . A 80 LYS CA . 34163 1 281 . 1 1 82 82 LYS N N 15 122.005 0.400 . . . . . . A 80 LYS N . 34163 1 282 . 1 1 83 83 PHE H H 1 8.716 0.020 . . . . . . A 81 PHE H . 34163 1 283 . 1 1 83 83 PHE CA C 13 60.538 0.400 . . . . . . A 81 PHE CA . 34163 1 284 . 1 1 83 83 PHE N N 15 122.856 0.400 . . . . . . A 81 PHE N . 34163 1 285 . 1 1 84 84 LYS H H 1 8.972 0.020 . . . . . . A 82 LYS H . 34163 1 286 . 1 1 84 84 LYS HA H 1 4.825 0.020 . . . . . . A 82 LYS HA . 34163 1 287 . 1 1 84 84 LYS CA C 13 56.456 0.400 . . . . . . A 82 LYS CA . 34163 1 288 . 1 1 84 84 LYS N N 15 123.113 0.400 . . . . . . A 82 LYS N . 34163 1 289 . 1 1 85 85 ALA H H 1 8.771 0.020 . . . . . . A 83 ALA H . 34163 1 290 . 1 1 85 85 ALA HA H 1 4.313 0.020 . . . . . . A 83 ALA HA . 34163 1 291 . 1 1 85 85 ALA CA C 13 56.674 0.400 . . . . . . A 83 ALA CA . 34163 1 292 . 1 1 85 85 ALA N N 15 124.788 0.400 . . . . . . A 83 ALA N . 34163 1 293 . 1 1 88 88 GLN H H 1 7.754 0.020 . . . . . . A 86 GLN H . 34163 1 294 . 1 1 88 88 GLN CA C 13 58.619 0.400 . . . . . . A 86 GLN CA . 34163 1 295 . 1 1 88 88 GLN N N 15 125.943 0.400 . . . . . . A 86 GLN N . 34163 1 296 . 1 1 89 89 LEU H H 1 7.955 0.020 . . . . . . A 87 LEU H . 34163 1 297 . 1 1 89 89 LEU CA C 13 57.703 0.400 . . . . . . A 87 LEU CA . 34163 1 298 . 1 1 89 89 LEU N N 15 120.641 0.400 . . . . . . A 87 LEU N . 34163 1 299 . 1 1 90 90 LYS H H 1 8.036 0.020 . . . . . . A 88 LYS H . 34163 1 300 . 1 1 90 90 LYS CA C 13 60.538 0.400 . . . . . . A 88 LYS CA . 34163 1 301 . 1 1 90 90 LYS N N 15 116.758 0.400 . . . . . . A 88 LYS N . 34163 1 302 . 1 1 91 91 THR H H 1 8.327 0.020 . . . . . . A 89 THR H . 34163 1 303 . 1 1 91 91 THR HA H 1 3.883 0.020 . . . . . . A 89 THR HA . 34163 1 304 . 1 1 91 91 THR CA C 13 66.458 0.400 . . . . . . A 89 THR CA . 34163 1 305 . 1 1 91 91 THR N N 15 116.89 0.400 . . . . . . A 89 THR N . 34163 1 306 . 1 1 92 92 ASP H H 1 8.473 0.020 . . . . . . A 90 ASP H . 34163 1 307 . 1 1 92 92 ASP HA H 1 4.296 0.020 . . . . . . A 90 ASP HA . 34163 1 308 . 1 1 92 92 ASP CA C 13 57.079 0.400 . . . . . . A 90 ASP CA . 34163 1 309 . 1 1 92 92 ASP N N 15 122.96 0.400 . . . . . . A 90 ASP N . 34163 1 310 . 1 1 93 93 LEU H H 1 8.121 0.020 . . . . . . A 91 LEU H . 34163 1 311 . 1 1 93 93 LEU HA H 1 4.115 0.020 . . . . . . A 91 LEU HA . 34163 1 312 . 1 1 93 93 LEU CA C 13 56.269 0.400 . . . . . . A 91 LEU CA . 34163 1 313 . 1 1 93 93 LEU N N 15 116.85 0.400 . . . . . . A 91 LEU N . 34163 1 314 . 1 1 94 94 ASN H H 1 7.482 0.020 . . . . . . A 92 ASN H . 34163 1 315 . 1 1 94 94 ASN HA H 1 4.834 0.020 . . . . . . A 92 ASN HA . 34163 1 316 . 1 1 94 94 ASN CA C 13 53.714 0.400 . . . . . . A 92 ASN CA . 34163 1 317 . 1 1 94 94 ASN N N 15 114.733 0.400 . . . . . . A 92 ASN N . 34163 1 318 . 1 1 95 95 ASN H H 1 7.783 0.020 . . . . . . A 93 ASN H . 34163 1 319 . 1 1 95 95 ASN CA C 13 53.091 0.400 . . . . . . A 93 ASN CA . 34163 1 320 . 1 1 95 95 ASN N N 15 119.154 0.400 . . . . . . A 93 ASN N . 34163 1 stop_ save_