################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15135 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15135 1 2 '3D CBCA(CO)NH' . . . 15135 1 3 '3D HNCO' . . . 15135 1 4 '3D HNCA' . . . 15135 1 5 '3D HNCACB' . . . 15135 1 6 '3D HNN' . . . 15135 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER C C 13 177.107 0.050 . 1 . . . . 2 SER C . 15135 1 2 . 1 1 2 2 SER CA C 13 55.755 0.050 . 1 . . . . 2 SER CA . 15135 1 3 . 1 1 2 2 SER CB C 13 64.216 0.050 . 1 . . . . 2 SER CB . 15135 1 4 . 1 1 3 3 GLN H H 1 8.19 0.009 . 1 . . . . 3 GLN H . 15135 1 5 . 1 1 3 3 GLN C C 13 177.387 0.050 . 1 . . . . 3 GLN C . 15135 1 6 . 1 1 3 3 GLN CA C 13 57.256 0.116 . 1 . . . . 3 GLN CA . 15135 1 7 . 1 1 3 3 GLN CB C 13 29.475 0.050 . 1 . . . . 3 GLN CB . 15135 1 8 . 1 1 3 3 GLN N N 15 116.913 0.014 . 1 . . . . 3 GLN N . 15135 1 9 . 1 1 4 4 LYS H H 1 8.417 0.004 . 1 . . . . 4 LYS H . 15135 1 10 . 1 1 4 4 LYS C C 13 178.165 0.050 . 1 . . . . 4 LYS C . 15135 1 11 . 1 1 4 4 LYS CA C 13 58.132 0.116 . 1 . . . . 4 LYS CA . 15135 1 12 . 1 1 4 4 LYS CB C 13 32.457 0.050 . 1 . . . . 4 LYS CB . 15135 1 13 . 1 1 4 4 LYS N N 15 120.389 0.040 . 1 . . . . 4 LYS N . 15135 1 14 . 1 1 5 5 GLN H H 1 8.322 0.003 . 1 . . . . 5 GLN H . 15135 1 15 . 1 1 5 5 GLN C C 13 175.998 0.050 . 1 . . . . 5 GLN C . 15135 1 16 . 1 1 5 5 GLN CA C 13 56.108 0.046 . 1 . . . . 5 GLN CA . 15135 1 17 . 1 1 5 5 GLN CB C 13 29.583 0.048 . 1 . . . . 5 GLN CB . 15135 1 18 . 1 1 5 5 GLN N N 15 121.117 0.030 . 1 . . . . 5 GLN N . 15135 1 19 . 1 1 6 6 GLU H H 1 8.537 0.005 . 1 . . . . 6 GLU H . 15135 1 20 . 1 1 6 6 GLU C C 13 176.498 0.050 . 1 . . . . 6 GLU C . 15135 1 21 . 1 1 6 6 GLU CA C 13 56.648 0.119 . 1 . . . . 6 GLU CA . 15135 1 22 . 1 1 6 6 GLU CB C 13 30.669 0.092 . 1 . . . . 6 GLU CB . 15135 1 23 . 1 1 6 6 GLU N N 15 122.258 0.029 . 1 . . . . 6 GLU N . 15135 1 24 . 1 1 7 7 GLU H H 1 8.593 0.002 . 5 . . . . 7 GLU H . 15135 1 25 . 1 1 7 7 GLU C C 13 176.271 0.050 . 5 . . . . 7 GLU C . 15135 1 26 . 1 1 7 7 GLU CA C 13 56.61 0.122 . 5 . . . . 7 GLU CA . 15135 1 27 . 1 1 7 7 GLU CB C 13 30.642 0.067 . 5 . . . . 7 GLU CB . 15135 1 28 . 1 1 7 7 GLU N N 15 122.723 0.017 . 5 . . . . 7 GLU N . 15135 1 29 . 1 1 8 8 GLU H H 1 8.421 0.002 . 5 . . . . 8 GLU H . 15135 1 30 . 1 1 8 8 GLU C C 13 175.95 0.050 . 5 . . . . 8 GLU C . 15135 1 31 . 1 1 8 8 GLU CA C 13 56.701 0.059 . 5 . . . . 8 GLU CA . 15135 1 32 . 1 1 8 8 GLU CB C 13 30.671 0.021 . 5 . . . . 8 GLU CB . 15135 1 33 . 1 1 8 8 GLU N N 15 122.043 0.041 . 5 . . . . 8 GLU N . 15135 1 34 . 1 1 9 9 ASN H H 1 8.571 0.003 . 1 . . . . 9 ASN H . 15135 1 35 . 1 1 9 9 ASN CA C 13 51.459 0.132 . 1 . . . . 9 ASN CA . 15135 1 36 . 1 1 9 9 ASN CB C 13 39.087 0.050 . 1 . . . . 9 ASN CB . 15135 1 37 . 1 1 9 9 ASN N N 15 120.546 0.020 . 1 . . . . 9 ASN N . 15135 1 38 . 1 1 10 10 PRO C C 13 176.65 0.050 . 1 . . . . 10 PRO C . 15135 1 39 . 1 1 10 10 PRO CA C 13 63.261 0.006 . 1 . . . . 10 PRO CA . 15135 1 40 . 1 1 10 10 PRO CB C 13 32.236 0.004 . 1 . . . . 10 PRO CB . 15135 1 41 . 1 1 11 11 ALA H H 1 8.356 0.002 . 1 . . . . 11 ALA H . 15135 1 42 . 1 1 11 11 ALA C C 13 177.782 0.050 . 1 . . . . 11 ALA C . 15135 1 43 . 1 1 11 11 ALA CA C 13 52.559 0.098 . 1 . . . . 11 ALA CA . 15135 1 44 . 1 1 11 11 ALA CB C 13 19.365 0.016 . 1 . . . . 11 ALA CB . 15135 1 45 . 1 1 11 11 ALA N N 15 124.198 0.019 . 1 . . . . 11 ALA N . 15135 1 46 . 1 1 12 12 GLU H H 1 8.306 0.002 . 1 . . . . 12 GLU H . 15135 1 47 . 1 1 12 12 GLU C C 13 176.439 0.050 . 1 . . . . 12 GLU C . 15135 1 48 . 1 1 12 12 GLU CA C 13 56.739 0.161 . 1 . . . . 12 GLU CA . 15135 1 49 . 1 1 12 12 GLU CB C 13 30.698 0.048 . 1 . . . . 12 GLU CB . 15135 1 50 . 1 1 12 12 GLU N N 15 120.262 0.011 . 1 . . . . 12 GLU N . 15135 1 51 . 1 1 13 13 GLU H H 1 8.408 0.002 . 5 . . . . 13 GLU H . 15135 1 52 . 1 1 13 13 GLU C C 13 176.781 0.050 . 5 . . . . 13 GLU C . 15135 1 53 . 1 1 13 13 GLU CA C 13 56.508 0.063 . 5 . . . . 13 GLU CA . 15135 1 54 . 1 1 13 13 GLU CB C 13 30.439 0.038 . 5 . . . . 13 GLU CB . 15135 1 55 . 1 1 13 13 GLU N N 15 121.472 0.022 . 5 . . . . 13 GLU N . 15135 1 56 . 1 1 14 14 THR H H 1 8.387 0.002 . 1 . . . . 14 THR H . 15135 1 57 . 1 1 14 14 THR C C 13 175.374 0.050 . 1 . . . . 14 THR C . 15135 1 58 . 1 1 14 14 THR CA C 13 62.012 0.027 . 1 . . . . 14 THR CA . 15135 1 59 . 1 1 14 14 THR CB C 13 70.026 0.036 . 1 . . . . 14 THR CB . 15135 1 60 . 1 1 14 14 THR N N 15 115.253 0.023 . 1 . . . . 14 THR N . 15135 1 61 . 1 1 15 15 GLY H H 1 8.517 0.002 . 1 . . . . 15 GLY H . 15135 1 62 . 1 1 15 15 GLY C C 13 174.119 0.050 . 1 . . . . 15 GLY C . 15135 1 63 . 1 1 15 15 GLY CA C 13 45.326 0.097 . 1 . . . . 15 GLY CA . 15135 1 64 . 1 1 15 15 GLY N N 15 111.401 0.020 . 1 . . . . 15 GLY N . 15135 1 65 . 1 1 16 16 GLU H H 1 8.283 0.004 . 1 . . . . 16 GLU H . 15135 1 66 . 1 1 16 16 GLU C C 13 176.497 0.050 . 1 . . . . 16 GLU C . 15135 1 67 . 1 1 16 16 GLU CA C 13 56.516 0.057 . 1 . . . . 16 GLU CA . 15135 1 68 . 1 1 16 16 GLU CB C 13 30.729 0.020 . 1 . . . . 16 GLU CB . 15135 1 69 . 1 1 16 16 GLU N N 15 120.652 0.039 . 1 . . . . 16 GLU N . 15135 1 70 . 1 1 17 17 GLU H H 1 8.485 0.002 . 1 . . . . 17 GLU H . 15135 1 71 . 1 1 17 17 GLU C C 13 176.4 0.050 . 1 . . . . 17 GLU C . 15135 1 72 . 1 1 17 17 GLU CA C 13 56.602 0.081 . 1 . . . . 17 GLU CA . 15135 1 73 . 1 1 17 17 GLU CB C 13 30.36 0.095 . 1 . . . . 17 GLU CB . 15135 1 74 . 1 1 17 17 GLU N N 15 122.569 0.015 . 1 . . . . 17 GLU N . 15135 1 75 . 1 1 18 18 LYS H H 1 8.434 0.002 . 1 . . . . 18 LYS H . 15135 1 76 . 1 1 18 18 LYS C C 13 175.694 0.050 . 1 . . . . 18 LYS C . 15135 1 77 . 1 1 18 18 LYS CA C 13 56.269 0.064 . 1 . . . . 18 LYS CA . 15135 1 78 . 1 1 18 18 LYS CB C 13 33.232 0.042 . 1 . . . . 18 LYS CB . 15135 1 79 . 1 1 18 18 LYS N N 15 123.495 0.008 . 1 . . . . 18 LYS N . 15135 1 80 . 1 1 19 19 GLN H H 1 8.532 0.003 . 1 . . . . 19 GLN H . 15135 1 81 . 1 1 19 19 GLN C C 13 176.47 0.050 . 1 . . . . 19 GLN C . 15135 1 82 . 1 1 19 19 GLN CA C 13 56.266 0.111 . 1 . . . . 19 GLN CA . 15135 1 83 . 1 1 19 19 GLN CB C 13 29.767 0.027 . 1 . . . . 19 GLN CB . 15135 1 84 . 1 1 19 19 GLN N N 15 122.433 0.029 . 1 . . . . 19 GLN N . 15135 1 85 . 1 1 20 20 ASP H H 1 8.531 0.002 . 1 . . . . 20 ASP H . 15135 1 86 . 1 1 20 20 ASP C C 13 176.378 0.050 . 1 . . . . 20 ASP C . 15135 1 87 . 1 1 20 20 ASP CA C 13 54.499 0.078 . 1 . . . . 20 ASP CA . 15135 1 88 . 1 1 20 20 ASP CB C 13 41.355 0.012 . 1 . . . . 20 ASP CB . 15135 1 89 . 1 1 20 20 ASP N N 15 122.513 0.039 . 1 . . . . 20 ASP N . 15135 1 90 . 1 1 21 21 THR H H 1 8.18 0.003 . 1 . . . . 21 THR H . 15135 1 91 . 1 1 21 21 THR C C 13 174.426 0.050 . 1 . . . . 21 THR C . 15135 1 92 . 1 1 21 21 THR CA C 13 61.861 0.020 . 1 . . . . 21 THR CA . 15135 1 93 . 1 1 21 21 THR CB C 13 69.935 0.030 . 1 . . . . 21 THR CB . 15135 1 94 . 1 1 21 21 THR N N 15 114.849 0.035 . 1 . . . . 21 THR N . 15135 1 95 . 1 1 22 22 GLN H H 1 8.473 0.002 . 1 . . . . 22 GLN H . 15135 1 96 . 1 1 22 22 GLN C C 13 175.791 0.050 . 1 . . . . 22 GLN C . 15135 1 97 . 1 1 22 22 GLN CA C 13 55.888 0.049 . 1 . . . . 22 GLN CA . 15135 1 98 . 1 1 22 22 GLN CB C 13 29.732 0.024 . 1 . . . . 22 GLN CB . 15135 1 99 . 1 1 22 22 GLN N N 15 122.99 0.026 . 1 . . . . 22 GLN N . 15135 1 100 . 1 1 23 23 GLU H H 1 8.492 0.003 . 1 . . . . 23 GLU H . 15135 1 101 . 1 1 23 23 GLU C C 13 176.196 0.050 . 1 . . . . 23 GLU C . 15135 1 102 . 1 1 23 23 GLU CA C 13 56.6 0.043 . 1 . . . . 23 GLU CA . 15135 1 103 . 1 1 23 23 GLU CB C 13 30.502 0.055 . 1 . . . . 23 GLU CB . 15135 1 104 . 1 1 23 23 GLU N N 15 123.221 0.013 . 1 . . . . 23 GLU N . 15135 1 105 . 1 1 24 24 LYS H H 1 8.426 0.003 . 1 . . . . 24 LYS H . 15135 1 106 . 1 1 24 24 LYS C C 13 176.235 0.050 . 1 . . . . 24 LYS C . 15135 1 107 . 1 1 24 24 LYS CA C 13 56.363 0.044 . 1 . . . . 24 LYS CA . 15135 1 108 . 1 1 24 24 LYS CB C 13 33.374 0.030 . 1 . . . . 24 LYS CB . 15135 1 109 . 1 1 24 24 LYS N N 15 123.086 0.018 . 1 . . . . 24 LYS N . 15135 1 110 . 1 1 25 25 GLU H H 1 8.576 0.002 . 1 . . . . 25 GLU H . 15135 1 111 . 1 1 25 25 GLU C C 13 176.622 0.050 . 1 . . . . 25 GLU C . 15135 1 112 . 1 1 25 25 GLU CA C 13 56.509 0.055 . 1 . . . . 25 GLU CA . 15135 1 113 . 1 1 25 25 GLU CB C 13 30.903 0.013 . 1 . . . . 25 GLU CB . 15135 1 114 . 1 1 25 25 GLU N N 15 123.824 0.028 . 1 . . . . 25 GLU N . 15135 1 115 . 1 1 26 26 GLY H H 1 8.325 0.007 . 1 . . . . 26 GLY H . 15135 1 116 . 1 1 26 26 GLY C C 13 173.879 0.050 . 1 . . . . 26 GLY C . 15135 1 117 . 1 1 26 26 GLY CA C 13 45.147 0.048 . 1 . . . . 26 GLY CA . 15135 1 118 . 1 1 26 26 GLY N N 15 110.242 0.033 . 1 . . . . 26 GLY N . 15135 1 119 . 1 1 27 27 ILE H H 1 8.029 0.003 . 1 . . . . 27 ILE H . 15135 1 120 . 1 1 27 27 ILE C C 13 176.204 0.050 . 1 . . . . 27 ILE C . 15135 1 121 . 1 1 27 27 ILE CA C 13 62.049 0.028 . 1 . . . . 27 ILE CA . 15135 1 122 . 1 1 27 27 ILE CB C 13 39.278 0.016 . 1 . . . . 27 ILE CB . 15135 1 123 . 1 1 27 27 ILE N N 15 118.398 0.046 . 1 . . . . 27 ILE N . 15135 1 124 . 1 1 28 28 LEU H H 1 7.972 0.002 . 1 . . . . 28 LEU H . 15135 1 125 . 1 1 28 28 LEU CA C 13 53.328 0.087 . 1 . . . . 28 LEU CA . 15135 1 126 . 1 1 28 28 LEU CB C 13 41.434 0.050 . 1 . . . . 28 LEU CB . 15135 1 127 . 1 1 28 28 LEU N N 15 121.743 0.035 . 1 . . . . 28 LEU N . 15135 1 128 . 1 1 29 29 PRO C C 13 176.566 0.050 . 1 . . . . 29 PRO C . 15135 1 129 . 1 1 29 29 PRO CA C 13 63.027 0.004 . 1 . . . . 29 PRO CA . 15135 1 130 . 1 1 29 29 PRO CB C 13 32.225 0.052 . 1 . . . . 29 PRO CB . 15135 1 131 . 1 1 30 30 GLU H H 1 8.395 0.003 . 1 . . . . 30 GLU H . 15135 1 132 . 1 1 30 30 GLU C C 13 176.905 0.050 . 1 . . . . 30 GLU C . 15135 1 133 . 1 1 30 30 GLU CA C 13 57.168 0.054 . 1 . . . . 30 GLU CA . 15135 1 134 . 1 1 30 30 GLU CB C 13 30.198 0.008 . 1 . . . . 30 GLU CB . 15135 1 135 . 1 1 30 30 GLU N N 15 120.609 0.034 . 1 . . . . 30 GLU N . 15135 1 136 . 1 1 31 31 ARG H H 1 8.297 0.004 . 1 . . . . 31 ARG H . 15135 1 137 . 1 1 31 31 ARG C C 13 176.315 0.050 . 1 . . . . 31 ARG C . 15135 1 138 . 1 1 31 31 ARG CA C 13 56.286 0.050 . 1 . . . . 31 ARG CA . 15135 1 139 . 1 1 31 31 ARG CB C 13 31.303 0.050 . 1 . . . . 31 ARG CB . 15135 1 140 . 1 1 31 31 ARG N N 15 122.148 0.024 . 1 . . . . 31 ARG N . 15135 1 141 . 1 1 32 32 ALA H H 1 8.342 0.004 . 1 . . . . 32 ALA H . 15135 1 142 . 1 1 32 32 ALA C C 13 178.173 0.050 . 1 . . . . 32 ALA C . 15135 1 143 . 1 1 32 32 ALA CA C 13 52.988 0.113 . 1 . . . . 32 ALA CA . 15135 1 144 . 1 1 32 32 ALA CB C 13 19.268 0.025 . 1 . . . . 32 ALA CB . 15135 1 145 . 1 1 32 32 ALA N N 15 124.574 0.023 . 1 . . . . 32 ALA N . 15135 1 146 . 1 1 33 33 GLU H H 1 8.343 0.004 . 1 . . . . 33 GLU H . 15135 1 147 . 1 1 33 33 GLU C C 13 177.589 0.050 . 1 . . . . 33 GLU C . 15135 1 148 . 1 1 33 33 GLU CA C 13 58.34 0.055 . 1 . . . . 33 GLU CA . 15135 1 149 . 1 1 33 33 GLU CB C 13 30.046 0.021 . 1 . . . . 33 GLU CB . 15135 1 150 . 1 1 33 33 GLU N N 15 119.599 0.028 . 1 . . . . 33 GLU N . 15135 1 151 . 1 1 34 34 GLU H H 1 8.392 0.004 . 1 . . . . 34 GLU H . 15135 1 152 . 1 1 34 34 GLU C C 13 176.274 0.050 . 1 . . . . 34 GLU C . 15135 1 153 . 1 1 34 34 GLU CA C 13 57.309 0.063 . 1 . . . . 34 GLU CA . 15135 1 154 . 1 1 34 34 GLU CB C 13 29.886 0.078 . 1 . . . . 34 GLU CB . 15135 1 155 . 1 1 34 34 GLU N N 15 117.72 0.076 . 1 . . . . 34 GLU N . 15135 1 156 . 1 1 35 35 ALA H H 1 7.972 0.015 . 1 . . . . 35 ALA H . 15135 1 157 . 1 1 35 35 ALA C C 13 177.706 0.050 . 1 . . . . 35 ALA C . 15135 1 158 . 1 1 35 35 ALA CA C 13 52.743 0.087 . 1 . . . . 35 ALA CA . 15135 1 159 . 1 1 35 35 ALA CB C 13 19.212 0.003 . 1 . . . . 35 ALA CB . 15135 1 160 . 1 1 35 35 ALA N N 15 123.529 0.046 . 1 . . . . 35 ALA N . 15135 1 161 . 1 1 36 36 LYS H H 1 7.858 0.014 . 1 . . . . 36 LYS H . 15135 1 162 . 1 1 36 36 LYS CA C 13 57.905 0.009 . 1 . . . . 36 LYS CA . 15135 1 163 . 1 1 36 36 LYS CB C 13 33.047 0.050 . 1 . . . . 36 LYS CB . 15135 1 164 . 1 1 36 36 LYS N N 15 119.663 0.030 . 1 . . . . 36 LYS N . 15135 1 165 . 1 1 37 37 LEU C C 13 178.509 0.050 . 1 . . . . 37 LEU C . 15135 1 166 . 1 1 37 37 LEU CA C 13 57.848 0.050 . 1 . . . . 37 LEU CA . 15135 1 167 . 1 1 37 37 LEU CB C 13 41.999 0.050 . 1 . . . . 37 LEU CB . 15135 1 168 . 1 1 38 38 LYS H H 1 7.91 0.006 . 1 . . . . 38 LYS H . 15135 1 169 . 1 1 38 38 LYS C C 13 177.032 0.050 . 1 . . . . 38 LYS C . 15135 1 170 . 1 1 38 38 LYS CA C 13 58.191 0.040 . 1 . . . . 38 LYS CA . 15135 1 171 . 1 1 38 38 LYS CB C 13 32.493 0.048 . 1 . . . . 38 LYS CB . 15135 1 172 . 1 1 38 38 LYS N N 15 116.277 0.026 . 1 . . . . 38 LYS N . 15135 1 173 . 1 1 39 39 ALA H H 1 7.432 0.012 . 1 . . . . 39 ALA H . 15135 1 174 . 1 1 39 39 ALA C C 13 178.294 0.050 . 1 . . . . 39 ALA C . 15135 1 175 . 1 1 39 39 ALA CA C 13 53.496 0.078 . 1 . . . . 39 ALA CA . 15135 1 176 . 1 1 39 39 ALA CB C 13 18.969 0.065 . 1 . . . . 39 ALA CB . 15135 1 177 . 1 1 39 39 ALA N N 15 119.813 0.025 . 1 . . . . 39 ALA N . 15135 1 178 . 1 1 40 40 LYS H H 1 7.524 0.010 . 1 . . . . 40 LYS H . 15135 1 179 . 1 1 40 40 LYS C C 13 175.869 0.050 . 1 . . . . 40 LYS C . 15135 1 180 . 1 1 40 40 LYS CA C 13 57.298 0.045 . 1 . . . . 40 LYS CA . 15135 1 181 . 1 1 40 40 LYS CB C 13 33.69 0.029 . 1 . . . . 40 LYS CB . 15135 1 182 . 1 1 40 40 LYS N N 15 117.758 0.029 . 1 . . . . 40 LYS N . 15135 1 183 . 1 1 41 41 TYR H H 1 7.76 0.004 . 1 . . . . 41 TYR H . 15135 1 184 . 1 1 41 41 TYR CA C 13 55.824 0.077 . 1 . . . . 41 TYR CA . 15135 1 185 . 1 1 41 41 TYR CB C 13 38.216 0.050 . 1 . . . . 41 TYR CB . 15135 1 186 . 1 1 41 41 TYR N N 15 117.915 0.026 . 1 . . . . 41 TYR N . 15135 1 187 . 1 1 42 42 PRO C C 13 177.861 0.050 . 1 . . . . 42 PRO C . 15135 1 188 . 1 1 42 42 PRO CA C 13 64.259 0.051 . 1 . . . . 42 PRO CA . 15135 1 189 . 1 1 42 42 PRO CB C 13 32.211 0.024 . 1 . . . . 42 PRO CB . 15135 1 190 . 1 1 43 43 SER H H 1 8.166 0.004 . 1 . . . . 43 SER H . 15135 1 191 . 1 1 43 43 SER C C 13 174.829 0.050 . 1 . . . . 43 SER C . 15135 1 192 . 1 1 43 43 SER CA C 13 59.277 0.045 . 1 . . . . 43 SER CA . 15135 1 193 . 1 1 43 43 SER CB C 13 63.385 0.064 . 1 . . . . 43 SER CB . 15135 1 194 . 1 1 43 43 SER N N 15 113.602 0.018 . 1 . . . . 43 SER N . 15135 1 195 . 1 1 44 44 LEU H H 1 7.93 0.007 . 1 . . . . 44 LEU H . 15135 1 196 . 1 1 44 44 LEU C C 13 177.452 0.050 . 1 . . . . 44 LEU C . 15135 1 197 . 1 1 44 44 LEU CA C 13 56.208 0.071 . 1 . . . . 44 LEU CA . 15135 1 198 . 1 1 44 44 LEU CB C 13 42.308 0.034 . 1 . . . . 44 LEU CB . 15135 1 199 . 1 1 44 44 LEU N N 15 122.017 0.023 . 1 . . . . 44 LEU N . 15135 1 200 . 1 1 45 45 GLY H H 1 8.327 0.004 . 1 . . . . 45 GLY H . 15135 1 201 . 1 1 45 45 GLY C C 13 174.146 0.050 . 1 . . . . 45 GLY C . 15135 1 202 . 1 1 45 45 GLY CA C 13 45.823 0.009 . 1 . . . . 45 GLY CA . 15135 1 203 . 1 1 45 45 GLY N N 15 107.877 0.023 . 1 . . . . 45 GLY N . 15135 1 204 . 1 1 46 46 GLN H H 1 7.795 0.007 . 1 . . . . 46 GLN H . 15135 1 205 . 1 1 46 46 GLN C C 13 175.402 0.050 . 1 . . . . 46 GLN C . 15135 1 206 . 1 1 46 46 GLN CA C 13 55.417 0.049 . 1 . . . . 46 GLN CA . 15135 1 207 . 1 1 46 46 GLN CB C 13 29.783 0.071 . 1 . . . . 46 GLN CB . 15135 1 208 . 1 1 46 46 GLN N N 15 117.797 0.028 . 1 . . . . 46 GLN N . 15135 1 209 . 1 1 47 47 LYS H H 1 8.195 0.003 . 1 . . . . 47 LYS H . 15135 1 210 . 1 1 47 47 LYS CA C 13 54.992 0.016 . 1 . . . . 47 LYS CA . 15135 1 211 . 1 1 47 47 LYS CB C 13 32.191 0.050 . 1 . . . . 47 LYS CB . 15135 1 212 . 1 1 47 47 LYS N N 15 121.447 0.026 . 1 . . . . 47 LYS N . 15135 1 213 . 1 1 48 48 PRO C C 13 177.323 0.050 . 1 . . . . 48 PRO C . 15135 1 214 . 1 1 48 48 PRO CA C 13 63.9 0.016 . 1 . . . . 48 PRO CA . 15135 1 215 . 1 1 48 48 PRO CB C 13 32.036 0.020 . 1 . . . . 48 PRO CB . 15135 1 216 . 1 1 49 49 GLY H H 1 8.39 0.003 . 1 . . . . 49 GLY H . 15135 1 217 . 1 1 49 49 GLY C C 13 174.969 0.050 . 1 . . . . 49 GLY C . 15135 1 218 . 1 1 49 49 GLY CA C 13 45.785 0.033 . 1 . . . . 49 GLY CA . 15135 1 219 . 1 1 49 49 GLY N N 15 108.36 0.023 . 1 . . . . 49 GLY N . 15135 1 220 . 1 1 50 50 GLY H H 1 8.178 0.006 . 1 . . . . 50 GLY H . 15135 1 221 . 1 1 50 50 GLY C C 13 174.428 0.050 . 1 . . . . 50 GLY C . 15135 1 222 . 1 1 50 50 GLY CA C 13 45.883 0.035 . 1 . . . . 50 GLY CA . 15135 1 223 . 1 1 50 50 GLY N N 15 108.475 0.007 . 1 . . . . 50 GLY N . 15135 1 224 . 1 1 51 51 SER H H 1 8.23 0.005 . 1 . . . . 51 SER H . 15135 1 225 . 1 1 51 51 SER C C 13 175.035 0.050 . 1 . . . . 51 SER C . 15135 1 226 . 1 1 51 51 SER CA C 13 59.227 0.048 . 1 . . . . 51 SER CA . 15135 1 227 . 1 1 51 51 SER CB C 13 63.894 0.017 . 1 . . . . 51 SER CB . 15135 1 228 . 1 1 51 51 SER N N 15 115.188 0.014 . 1 . . . . 51 SER N . 15135 1 229 . 1 1 52 52 ASP H H 1 8.442 0.004 . 1 . . . . 52 ASP H . 15135 1 230 . 1 1 52 52 ASP C C 13 176.961 0.050 . 1 . . . . 52 ASP C . 15135 1 231 . 1 1 52 52 ASP CA C 13 56.031 0.112 . 1 . . . . 52 ASP CA . 15135 1 232 . 1 1 52 52 ASP CB C 13 40.806 0.040 . 1 . . . . 52 ASP CB . 15135 1 233 . 1 1 52 52 ASP N N 15 122.464 0.018 . 1 . . . . 52 ASP N . 15135 1 234 . 1 1 53 53 PHE H H 1 8.043 0.004 . 1 . . . . 53 PHE H . 15135 1 235 . 1 1 53 53 PHE C C 13 177.126 0.050 . 1 . . . . 53 PHE C . 15135 1 236 . 1 1 53 53 PHE CA C 13 60.884 0.044 . 1 . . . . 53 PHE CA . 15135 1 237 . 1 1 53 53 PHE CB C 13 39.599 0.062 . 1 . . . . 53 PHE CB . 15135 1 238 . 1 1 53 53 PHE N N 15 119.094 0.037 . 1 . . . . 53 PHE N . 15135 1 239 . 1 1 54 54 LEU H H 1 7.972 0.007 . 1 . . . . 54 LEU H . 15135 1 240 . 1 1 54 54 LEU C C 13 178.439 0.050 . 1 . . . . 54 LEU C . 15135 1 241 . 1 1 54 54 LEU CA C 13 57.386 0.086 . 1 . . . . 54 LEU CA . 15135 1 242 . 1 1 54 54 LEU CB C 13 42.119 0.063 . 1 . . . . 54 LEU CB . 15135 1 243 . 1 1 54 54 LEU N N 15 119.19 0.026 . 1 . . . . 54 LEU N . 15135 1 244 . 1 1 55 55 MET H H 1 8.224 0.007 . 1 . . . . 55 MET H . 15135 1 245 . 1 1 55 55 MET C C 13 178.455 0.050 . 1 . . . . 55 MET C . 15135 1 246 . 1 1 55 55 MET CA C 13 57.762 0.055 . 1 . . . . 55 MET CA . 15135 1 247 . 1 1 55 55 MET CB C 13 31.76 0.028 . 1 . . . . 55 MET CB . 15135 1 248 . 1 1 55 55 MET N N 15 117.665 0.018 . 1 . . . . 55 MET N . 15135 1 249 . 1 1 56 56 LYS H H 1 8.034 0.005 . 1 . . . . 56 LYS H . 15135 1 250 . 1 1 56 56 LYS C C 13 178.678 0.050 . 1 . . . . 56 LYS C . 15135 1 251 . 1 1 56 56 LYS CA C 13 58.898 0.029 . 1 . . . . 56 LYS CA . 15135 1 252 . 1 1 56 56 LYS CB C 13 32.435 0.034 . 1 . . . . 56 LYS CB . 15135 1 253 . 1 1 56 56 LYS N N 15 117.794 0.034 . 1 . . . . 56 LYS N . 15135 1 254 . 1 1 57 57 ARG H H 1 7.595 0.011 . 1 . . . . 57 ARG H . 15135 1 255 . 1 1 57 57 ARG C C 13 177.631 0.050 . 1 . . . . 57 ARG C . 15135 1 256 . 1 1 57 57 ARG CA C 13 57.898 0.056 . 1 . . . . 57 ARG CA . 15135 1 257 . 1 1 57 57 ARG CB C 13 30.238 0.071 . 1 . . . . 57 ARG CB . 15135 1 258 . 1 1 57 57 ARG N N 15 118.288 0.029 . 1 . . . . 57 ARG N . 15135 1 259 . 1 1 58 58 LEU H H 1 8.085 0.005 . 1 . . . . 58 LEU H . 15135 1 260 . 1 1 58 58 LEU C C 13 178.241 0.050 . 1 . . . . 58 LEU C . 15135 1 261 . 1 1 58 58 LEU CA C 13 57.136 0.066 . 1 . . . . 58 LEU CA . 15135 1 262 . 1 1 58 58 LEU CB C 13 41.762 0.039 . 1 . . . . 58 LEU CB . 15135 1 263 . 1 1 58 58 LEU N N 15 119.523 0.017 . 1 . . . . 58 LEU N . 15135 1 264 . 1 1 59 59 GLN H H 1 8.07 0.004 . 1 . . . . 59 GLN H . 15135 1 265 . 1 1 59 59 GLN C C 13 177.632 0.050 . 1 . . . . 59 GLN C . 15135 1 266 . 1 1 59 59 GLN CA C 13 57.681 0.054 . 1 . . . . 59 GLN CA . 15135 1 267 . 1 1 59 59 GLN CB C 13 28.846 0.037 . 1 . . . . 59 GLN CB . 15135 1 268 . 1 1 59 59 GLN N N 15 117.166 0.018 . 1 . . . . 59 GLN N . 15135 1 269 . 1 1 60 60 LYS H H 1 7.82 0.010 . 1 . . . . 60 LYS H . 15135 1 270 . 1 1 60 60 LYS C C 13 178.112 0.050 . 1 . . . . 60 LYS C . 15135 1 271 . 1 1 60 60 LYS CA C 13 58.152 0.054 . 1 . . . . 60 LYS CA . 15135 1 272 . 1 1 60 60 LYS CB C 13 32.695 0.011 . 1 . . . . 60 LYS CB . 15135 1 273 . 1 1 60 60 LYS N N 15 119.773 0.030 . 1 . . . . 60 LYS N . 15135 1 274 . 1 1 61 61 GLY H H 1 8.274 0.008 . 1 . . . . 61 GLY H . 15135 1 275 . 1 1 61 61 GLY C C 13 174.155 0.050 . 1 . . . . 61 GLY C . 15135 1 276 . 1 1 61 61 GLY CA C 13 46.512 0.090 . 1 . . . . 61 GLY CA . 15135 1 277 . 1 1 61 61 GLY N N 15 107.181 0.028 . 1 . . . . 61 GLY N . 15135 1 278 . 1 1 62 62 GLN H H 1 8.099 0.005 . 1 . . . . 62 GLN H . 15135 1 279 . 1 1 62 62 GLN C C 13 176.42 0.050 . 1 . . . . 62 GLN C . 15135 1 280 . 1 1 62 62 GLN CA C 13 57.556 0.035 . 1 . . . . 62 GLN CA . 15135 1 281 . 1 1 62 62 GLN CB C 13 29.262 0.039 . 1 . . . . 62 GLN CB . 15135 1 282 . 1 1 62 62 GLN N N 15 119.369 0.025 . 1 . . . . 62 GLN N . 15135 1 283 . 1 1 63 63 LYS H H 1 7.983 0.005 . 1 . . . . 63 LYS H . 15135 1 284 . 1 1 63 63 LYS C C 13 177.354 0.050 . 1 . . . . 63 LYS C . 15135 1 285 . 1 1 63 63 LYS CA C 13 57.454 0.052 . 1 . . . . 63 LYS CA . 15135 1 286 . 1 1 63 63 LYS CB C 13 32.465 0.002 . 1 . . . . 63 LYS CB . 15135 1 287 . 1 1 63 63 LYS N N 15 119.198 0.021 . 1 . . . . 63 LYS N . 15135 1 288 . 1 1 64 64 TYR H H 1 7.979 0.004 . 1 . . . . 64 TYR H . 15135 1 289 . 1 1 64 64 TYR C C 13 176.505 0.050 . 1 . . . . 64 TYR C . 15135 1 290 . 1 1 64 64 TYR CA C 13 60.374 0.022 . 1 . . . . 64 TYR CA . 15135 1 291 . 1 1 64 64 TYR CB C 13 39.163 0.007 . 1 . . . . 64 TYR CB . 15135 1 292 . 1 1 64 64 TYR N N 15 120.237 0.032 . 1 . . . . 64 TYR N . 15135 1 293 . 1 1 65 65 PHE H H 1 8.003 0.006 . 1 . . . . 65 PHE H . 15135 1 294 . 1 1 65 65 PHE C C 13 175.914 0.050 . 1 . . . . 65 PHE C . 15135 1 295 . 1 1 65 65 PHE CA C 13 58.404 0.100 . 1 . . . . 65 PHE CA . 15135 1 296 . 1 1 65 65 PHE CB C 13 39.953 0.071 . 1 . . . . 65 PHE CB . 15135 1 297 . 1 1 65 65 PHE N N 15 117.713 0.026 . 1 . . . . 65 PHE N . 15135 1 298 . 1 1 66 66 ASP H H 1 8.418 0.003 . 1 . . . . 66 ASP H . 15135 1 299 . 1 1 66 66 ASP C C 13 176.942 0.050 . 1 . . . . 66 ASP C . 15135 1 300 . 1 1 66 66 ASP CA C 13 54.739 0.049 . 1 . . . . 66 ASP CA . 15135 1 301 . 1 1 66 66 ASP CB C 13 42.126 0.042 . 1 . . . . 66 ASP CB . 15135 1 302 . 1 1 66 66 ASP N N 15 120.78 0.020 . 1 . . . . 66 ASP N . 15135 1 303 . 1 1 67 67 SER H H 1 8.182 0.004 . 1 . . . . 67 SER H . 15135 1 304 . 1 1 67 67 SER C C 13 175.605 0.050 . 1 . . . . 67 SER C . 15135 1 305 . 1 1 67 67 SER CA C 13 59.799 0.053 . 1 . . . . 67 SER CA . 15135 1 306 . 1 1 67 67 SER CB C 13 63.783 0.007 . 1 . . . . 67 SER CB . 15135 1 307 . 1 1 67 67 SER N N 15 114.574 0.016 . 1 . . . . 67 SER N . 15135 1 308 . 1 1 68 68 GLY H H 1 8.162 0.011 . 1 . . . . 68 GLY H . 15135 1 309 . 1 1 68 68 GLY C C 13 174.152 0.050 . 1 . . . . 68 GLY C . 15135 1 310 . 1 1 68 68 GLY CA C 13 45.942 0.082 . 1 . . . . 68 GLY CA . 15135 1 311 . 1 1 68 68 GLY N N 15 110.281 0.023 . 1 . . . . 68 GLY N . 15135 1 312 . 1 1 69 69 ASP H H 1 7.952 0.008 . 1 . . . . 69 ASP H . 15135 1 313 . 1 1 69 69 ASP C C 13 176.637 0.050 . 1 . . . . 69 ASP C . 15135 1 314 . 1 1 69 69 ASP CA C 13 54.963 0.101 . 1 . . . . 69 ASP CA . 15135 1 315 . 1 1 69 69 ASP CB C 13 41.338 0.053 . 1 . . . . 69 ASP CB . 15135 1 316 . 1 1 69 69 ASP N N 15 120.313 0.027 . 1 . . . . 69 ASP N . 15135 1 317 . 1 1 70 70 TYR H H 1 8.046 0.009 . 1 . . . . 70 TYR H . 15135 1 318 . 1 1 70 70 TYR C C 13 176.446 0.050 . 1 . . . . 70 TYR C . 15135 1 319 . 1 1 70 70 TYR CA C 13 58.902 0.069 . 1 . . . . 70 TYR CA . 15135 1 320 . 1 1 70 70 TYR CB C 13 38.032 0.062 . 1 . . . . 70 TYR CB . 15135 1 321 . 1 1 70 70 TYR N N 15 120.299 0.022 . 1 . . . . 70 TYR N . 15135 1 322 . 1 1 71 71 ASN H H 1 8.142 0.008 . 1 . . . . 71 ASN H . 15135 1 323 . 1 1 71 71 ASN C C 13 177.703 0.050 . 1 . . . . 71 ASN C . 15135 1 324 . 1 1 71 71 ASN CA C 13 56.177 0.080 . 1 . . . . 71 ASN CA . 15135 1 325 . 1 1 71 71 ASN CB C 13 38.724 0.048 . 1 . . . . 71 ASN CB . 15135 1 326 . 1 1 71 71 ASN N N 15 117.928 0.027 . 1 . . . . 71 ASN N . 15135 1 327 . 1 1 72 72 MET H H 1 8.308 0.004 . 1 . . . . 72 MET H . 15135 1 328 . 1 1 72 72 MET C C 13 177.822 0.050 . 1 . . . . 72 MET C . 15135 1 329 . 1 1 72 72 MET CA C 13 57.861 0.021 . 1 . . . . 72 MET CA . 15135 1 330 . 1 1 72 72 MET CB C 13 32.069 0.056 . 1 . . . . 72 MET CB . 15135 1 331 . 1 1 72 72 MET N N 15 120.264 0.022 . 1 . . . . 72 MET N . 15135 1 332 . 1 1 73 73 ALA H H 1 7.992 0.007 . 1 . . . . 73 ALA H . 15135 1 333 . 1 1 73 73 ALA C C 13 179.161 0.050 . 1 . . . . 73 ALA C . 15135 1 334 . 1 1 73 73 ALA CA C 13 55.322 0.048 . 1 . . . . 73 ALA CA . 15135 1 335 . 1 1 73 73 ALA CB C 13 18.661 0.030 . 1 . . . . 73 ALA CB . 15135 1 336 . 1 1 73 73 ALA N N 15 123.022 0.018 . 1 . . . . 73 ALA N . 15135 1 337 . 1 1 74 74 LYS H H 1 8.128 0.005 . 1 . . . . 74 LYS H . 15135 1 338 . 1 1 74 74 LYS C C 13 178.032 0.050 . 1 . . . . 74 LYS C . 15135 1 339 . 1 1 74 74 LYS CA C 13 59.936 0.053 . 1 . . . . 74 LYS CA . 15135 1 340 . 1 1 74 74 LYS CB C 13 32.605 0.045 . 1 . . . . 74 LYS CB . 15135 1 341 . 1 1 74 74 LYS N N 15 116.393 0.036 . 1 . . . . 74 LYS N . 15135 1 342 . 1 1 75 75 ALA H H 1 7.691 0.006 . 1 . . . . 75 ALA H . 15135 1 343 . 1 1 75 75 ALA C C 13 179.937 0.050 . 1 . . . . 75 ALA C . 15135 1 344 . 1 1 75 75 ALA CA C 13 54.755 0.069 . 1 . . . . 75 ALA CA . 15135 1 345 . 1 1 75 75 ALA CB C 13 18.328 0.025 . 1 . . . . 75 ALA CB . 15135 1 346 . 1 1 75 75 ALA N N 15 119.795 0.032 . 1 . . . . 75 ALA N . 15135 1 347 . 1 1 76 76 LYS H H 1 7.846 0.007 . 1 . . . . 76 LYS H . 15135 1 348 . 1 1 76 76 LYS C C 13 178.6 0.050 . 1 . . . . 76 LYS C . 15135 1 349 . 1 1 76 76 LYS CA C 13 58.479 0.053 . 1 . . . . 76 LYS CA . 15135 1 350 . 1 1 76 76 LYS CB C 13 32.694 0.001 . 1 . . . . 76 LYS CB . 15135 1 351 . 1 1 76 76 LYS N N 15 117.383 0.020 . 1 . . . . 76 LYS N . 15135 1 352 . 1 1 77 77 MET H H 1 7.887 0.003 . 1 . . . . 77 MET H . 15135 1 353 . 1 1 77 77 MET C C 13 177.185 0.050 . 1 . . . . 77 MET C . 15135 1 354 . 1 1 77 77 MET CA C 13 57.29 0.046 . 1 . . . . 77 MET CA . 15135 1 355 . 1 1 77 77 MET CB C 13 32.722 0.051 . 1 . . . . 77 MET CB . 15135 1 356 . 1 1 77 77 MET N N 15 117.026 0.029 . 1 . . . . 77 MET N . 15135 1 357 . 1 1 78 78 LYS H H 1 7.786 0.007 . 1 . . . . 78 LYS H . 15135 1 358 . 1 1 78 78 LYS C C 13 177.011 0.050 . 1 . . . . 78 LYS C . 15135 1 359 . 1 1 78 78 LYS CA C 13 57.943 0.053 . 1 . . . . 78 LYS CA . 15135 1 360 . 1 1 78 78 LYS CB C 13 32.36 0.019 . 1 . . . . 78 LYS CB . 15135 1 361 . 1 1 78 78 LYS N N 15 117.345 0.032 . 1 . . . . 78 LYS N . 15135 1 362 . 1 1 79 79 ASN H H 1 7.895 0.003 . 1 . . . . 79 ASN H . 15135 1 363 . 1 1 79 79 ASN C C 13 175.069 0.050 . 1 . . . . 79 ASN C . 15135 1 364 . 1 1 79 79 ASN CA C 13 53.798 0.085 . 1 . . . . 79 ASN CA . 15135 1 365 . 1 1 79 79 ASN CB C 13 39.074 0.015 . 1 . . . . 79 ASN CB . 15135 1 366 . 1 1 79 79 ASN N N 15 115.809 0.022 . 1 . . . . 79 ASN N . 15135 1 367 . 1 1 80 80 LYS H H 1 7.719 0.012 . 1 . . . . 80 LYS H . 15135 1 368 . 1 1 80 80 LYS C C 13 174.993 0.050 . 1 . . . . 80 LYS C . 15135 1 369 . 1 1 80 80 LYS CA C 13 55.858 0.045 . 1 . . . . 80 LYS CA . 15135 1 370 . 1 1 80 80 LYS CB C 13 32.906 0.039 . 1 . . . . 80 LYS CB . 15135 1 371 . 1 1 80 80 LYS N N 15 119.961 0.029 . 1 . . . . 80 LYS N . 15135 1 372 . 1 1 81 81 GLN H H 1 8.037 0.003 . 1 . . . . 81 GLN H . 15135 1 373 . 1 1 81 81 GLN C C 13 175.086 0.050 . 1 . . . . 81 GLN C . 15135 1 374 . 1 1 81 81 GLN CA C 13 54.937 0.049 . 1 . . . . 81 GLN CA . 15135 1 375 . 1 1 81 81 GLN CB C 13 30.63 0.003 . 1 . . . . 81 GLN CB . 15135 1 376 . 1 1 81 81 GLN N N 15 119.339 0.018 . 1 . . . . 81 GLN N . 15135 1 377 . 1 1 82 82 LEU H H 1 8.296 0.004 . 1 . . . . 82 LEU H . 15135 1 378 . 1 1 82 82 LEU CA C 13 53.589 0.056 . 1 . . . . 82 LEU CA . 15135 1 379 . 1 1 82 82 LEU CB C 13 41.481 0.050 . 1 . . . . 82 LEU CB . 15135 1 380 . 1 1 82 82 LEU N N 15 123.384 0.021 . 1 . . . . 82 LEU N . 15135 1 381 . 1 1 83 83 PRO C C 13 175.706 0.050 . 1 . . . . 83 PRO C . 15135 1 382 . 1 1 83 83 PRO CA C 13 63.275 0.029 . 1 . . . . 83 PRO CA . 15135 1 383 . 1 1 83 83 PRO CB C 13 32.199 0.009 . 1 . . . . 83 PRO CB . 15135 1 384 . 1 1 84 84 SER H H 1 8.126 0.003 . 1 . . . . 84 SER H . 15135 1 385 . 1 1 84 84 SER C C 13 174.031 0.050 . 1 . . . . 84 SER C . 15135 1 386 . 1 1 84 84 SER CA C 13 58.111 0.040 . 1 . . . . 84 SER CA . 15135 1 387 . 1 1 84 84 SER CB C 13 64.266 0.021 . 1 . . . . 84 SER CB . 15135 1 388 . 1 1 84 84 SER N N 15 113.395 0.020 . 1 . . . . 84 SER N . 15135 1 389 . 1 1 85 85 ALA H H 1 8.081 0.004 . 1 . . . . 85 ALA H . 15135 1 390 . 1 1 85 85 ALA C C 13 177.197 0.050 . 1 . . . . 85 ALA C . 15135 1 391 . 1 1 85 85 ALA CA C 13 52.252 0.089 . 1 . . . . 85 ALA CA . 15135 1 392 . 1 1 85 85 ALA CB C 13 20.263 0.037 . 1 . . . . 85 ALA CB . 15135 1 393 . 1 1 85 85 ALA N N 15 124.532 0.013 . 1 . . . . 85 ALA N . 15135 1 394 . 1 1 86 86 GLY H H 1 8.138 0.004 . 1 . . . . 86 GLY H . 15135 1 395 . 1 1 86 86 GLY CA C 13 44.74 0.050 . 1 . . . . 86 GLY CA . 15135 1 396 . 1 1 86 86 GLY N N 15 106.999 0.014 . 1 . . . . 86 GLY N . 15135 1 397 . 1 1 87 87 PRO C C 13 176.541 0.050 . 1 . . . . 87 PRO C . 15135 1 398 . 1 1 87 87 PRO CA C 13 63.558 0.015 . 1 . . . . 87 PRO CA . 15135 1 399 . 1 1 87 87 PRO CB C 13 32.166 0.058 . 1 . . . . 87 PRO CB . 15135 1 400 . 1 1 88 88 ASP H H 1 8.324 0.002 . 1 . . . . 88 ASP H . 15135 1 401 . 1 1 88 88 ASP C C 13 175.914 0.050 . 1 . . . . 88 ASP C . 15135 1 402 . 1 1 88 88 ASP CA C 13 54.436 0.071 . 1 . . . . 88 ASP CA . 15135 1 403 . 1 1 88 88 ASP CB C 13 41.087 0.012 . 1 . . . . 88 ASP CB . 15135 1 404 . 1 1 88 88 ASP N N 15 118.859 0.023 . 1 . . . . 88 ASP N . 15135 1 405 . 1 1 89 89 LYS H H 1 7.947 0.007 . 1 . . . . 89 LYS H . 15135 1 406 . 1 1 89 89 LYS C C 13 175.884 0.050 . 1 . . . . 89 LYS C . 15135 1 407 . 1 1 89 89 LYS CA C 13 56.404 0.077 . 1 . . . . 89 LYS CA . 15135 1 408 . 1 1 89 89 LYS CB C 13 33.061 0.036 . 1 . . . . 89 LYS CB . 15135 1 409 . 1 1 89 89 LYS N N 15 119.888 0.025 . 1 . . . . 89 LYS N . 15135 1 410 . 1 1 90 90 ASN H H 1 8.43 0.004 . 1 . . . . 90 ASN H . 15135 1 411 . 1 1 90 90 ASN C C 13 175.015 0.050 . 1 . . . . 90 ASN C . 15135 1 412 . 1 1 90 90 ASN CA C 13 53.796 0.067 . 1 . . . . 90 ASN CA . 15135 1 413 . 1 1 90 90 ASN CB C 13 38.962 0.006 . 1 . . . . 90 ASN CB . 15135 1 414 . 1 1 90 90 ASN N N 15 118.67 0.023 . 1 . . . . 90 ASN N . 15135 1 415 . 1 1 91 91 LEU H H 1 8.182 0.004 . 1 . . . . 91 LEU H . 15135 1 416 . 1 1 91 91 LEU C C 13 176.876 0.050 . 1 . . . . 91 LEU C . 15135 1 417 . 1 1 91 91 LEU CA C 13 56.823 0.066 . 1 . . . . 91 LEU CA . 15135 1 418 . 1 1 91 91 LEU CB C 13 43.015 0.028 . 1 . . . . 91 LEU CB . 15135 1 419 . 1 1 91 91 LEU N N 15 120.817 0.019 . 1 . . . . 91 LEU N . 15135 1 420 . 1 1 92 92 VAL H H 1 7.713 0.007 . 1 . . . . 92 VAL H . 15135 1 421 . 1 1 92 92 VAL C C 13 175.927 0.050 . 1 . . . . 92 VAL C . 15135 1 422 . 1 1 92 92 VAL CA C 13 61.974 0.024 . 1 . . . . 92 VAL CA . 15135 1 423 . 1 1 92 92 VAL CB C 13 32.299 0.049 . 1 . . . . 92 VAL CB . 15135 1 424 . 1 1 92 92 VAL N N 15 116.219 0.024 . 1 . . . . 92 VAL N . 15135 1 425 . 1 1 93 93 THR H H 1 8.071 0.002 . 1 . . . . 93 THR H . 15135 1 426 . 1 1 93 93 THR C C 13 176.114 0.050 . 1 . . . . 93 THR C . 15135 1 427 . 1 1 93 93 THR CA C 13 61.902 0.018 . 1 . . . . 93 THR CA . 15135 1 428 . 1 1 93 93 THR CB C 13 70.634 0.032 . 1 . . . . 93 THR CB . 15135 1 429 . 1 1 93 93 THR N N 15 114.612 0.024 . 1 . . . . 93 THR N . 15135 1 430 . 1 1 94 94 GLY H H 1 8.44 0.004 . 1 . . . . 94 GLY H . 15135 1 431 . 1 1 94 94 GLY C C 13 174.808 0.050 . 1 . . . . 94 GLY C . 15135 1 432 . 1 1 94 94 GLY CA C 13 45.852 0.032 . 1 . . . . 94 GLY CA . 15135 1 433 . 1 1 94 94 GLY N N 15 110.474 0.026 . 1 . . . . 94 GLY N . 15135 1 434 . 1 1 95 95 ASP H H 1 8.174 0.003 . 1 . . . . 95 ASP H . 15135 1 435 . 1 1 95 95 ASP C C 13 176.619 0.050 . 1 . . . . 95 ASP C . 15135 1 436 . 1 1 95 95 ASP CA C 13 55.823 0.072 . 1 . . . . 95 ASP CA . 15135 1 437 . 1 1 95 95 ASP CB C 13 41.019 0.002 . 1 . . . . 95 ASP CB . 15135 1 438 . 1 1 95 95 ASP N N 15 119.264 0.021 . 1 . . . . 95 ASP N . 15135 1 439 . 1 1 96 96 HIS H H 1 8.326 0.003 . 1 . . . . 96 HIS H . 15135 1 440 . 1 1 96 96 HIS C C 13 173.522 0.050 . 1 . . . . 96 HIS C . 15135 1 441 . 1 1 96 96 HIS CA C 13 55.629 0.060 . 1 . . . . 96 HIS CA . 15135 1 442 . 1 1 96 96 HIS CB C 13 29.351 0.007 . 1 . . . . 96 HIS CB . 15135 1 443 . 1 1 96 96 HIS N N 15 115.268 0.019 . 1 . . . . 96 HIS N . 15135 1 444 . 1 1 97 97 ILE H H 1 7.472 0.018 . 1 . . . . 97 ILE H . 15135 1 445 . 1 1 97 97 ILE CA C 13 58.55 0.059 . 1 . . . . 97 ILE CA . 15135 1 446 . 1 1 97 97 ILE CB C 13 38.593 0.050 . 1 . . . . 97 ILE CB . 15135 1 447 . 1 1 97 97 ILE N N 15 120.126 0.041 . 1 . . . . 97 ILE N . 15135 1 448 . 1 1 98 98 PRO C C 13 174.967 0.050 . 1 . . . . 98 PRO C . 15135 1 449 . 1 1 98 98 PRO CA C 13 62.807 0.021 . 1 . . . . 98 PRO CA . 15135 1 450 . 1 1 98 98 PRO CB C 13 32.271 0.001 . 1 . . . . 98 PRO CB . 15135 1 451 . 1 1 99 99 THR H H 1 8.141 0.003 . 1 . . . . 99 THR H . 15135 1 452 . 1 1 99 99 THR CA C 13 59.233 0.028 . 1 . . . . 99 THR CA . 15135 1 453 . 1 1 99 99 THR CB C 13 69.816 0.050 . 1 . . . . 99 THR CB . 15135 1 454 . 1 1 99 99 THR N N 15 112.146 0.040 . 1 . . . . 99 THR N . 15135 1 455 . 1 1 100 100 PRO C C 13 177.134 0.050 . 1 . . . . 100 PRO C . 15135 1 456 . 1 1 100 100 PRO CA C 13 64.032 0.024 . 1 . . . . 100 PRO CA . 15135 1 457 . 1 1 100 100 PRO CB C 13 32.105 0.058 . 1 . . . . 100 PRO CB . 15135 1 458 . 1 1 101 101 GLN H H 1 8.247 0.004 . 1 . . . . 101 GLN H . 15135 1 459 . 1 1 101 101 GLN C C 13 175.933 0.050 . 1 . . . . 101 GLN C . 15135 1 460 . 1 1 101 101 GLN CA C 13 57.256 0.037 . 1 . . . . 101 GLN CA . 15135 1 461 . 1 1 101 101 GLN CB C 13 29.442 0.029 . 1 . . . . 101 GLN CB . 15135 1 462 . 1 1 101 101 GLN N N 15 117.632 0.024 . 1 . . . . 101 GLN N . 15135 1 463 . 1 1 102 102 ASP H H 1 8.143 0.002 . 1 . . . . 102 ASP H . 15135 1 464 . 1 1 102 102 ASP C C 13 175.925 0.050 . 1 . . . . 102 ASP C . 15135 1 465 . 1 1 102 102 ASP CA C 13 54.447 0.056 . 1 . . . . 102 ASP CA . 15135 1 466 . 1 1 102 102 ASP CB C 13 41.508 0.069 . 1 . . . . 102 ASP CB . 15135 1 467 . 1 1 102 102 ASP N N 15 118.552 0.013 . 1 . . . . 102 ASP N . 15135 1 468 . 1 1 103 103 LEU H H 1 7.898 0.007 . 1 . . . . 103 LEU H . 15135 1 469 . 1 1 103 103 LEU CA C 13 54.381 0.017 . 1 . . . . 103 LEU CA . 15135 1 470 . 1 1 103 103 LEU CB C 13 40.965 0.050 . 1 . . . . 103 LEU CB . 15135 1 471 . 1 1 103 103 LEU N N 15 121.416 0.034 . 1 . . . . 103 LEU N . 15135 1 472 . 1 1 104 104 PRO C C 13 177.228 0.050 . 1 . . . . 104 PRO C . 15135 1 473 . 1 1 104 104 PRO CA C 13 64.45 0.050 . 1 . . . . 104 PRO CA . 15135 1 474 . 1 1 104 104 PRO CB C 13 31.647 0.050 . 1 . . . . 104 PRO CB . 15135 1 475 . 1 1 105 105 GLN H H 1 8.003 0.003 . 1 . . . . 105 GLN H . 15135 1 476 . 1 1 105 105 GLN CA C 13 56.855 0.028 . 1 . . . . 105 GLN CA . 15135 1 477 . 1 1 105 105 GLN CB C 13 29.24 0.050 . 1 . . . . 105 GLN CB . 15135 1 478 . 1 1 105 105 GLN N N 15 117.362 0.020 . 1 . . . . 105 GLN N . 15135 1 479 . 1 1 106 106 ARG C C 13 176.435 0.050 . 1 . . . . 106 ARG C . 15135 1 480 . 1 1 106 106 ARG CA C 13 57.589 0.050 . 1 . . . . 106 ARG CA . 15135 1 481 . 1 1 106 106 ARG CB C 13 29.248 0.028 . 1 . . . . 106 ARG CB . 15135 1 482 . 1 1 107 107 LYS H H 1 7.984 0.007 . 1 . . . . 107 LYS H . 15135 1 483 . 1 1 107 107 LYS C C 13 177.061 0.050 . 1 . . . . 107 LYS C . 15135 1 484 . 1 1 107 107 LYS CA C 13 58.128 0.100 . 1 . . . . 107 LYS CA . 15135 1 485 . 1 1 107 107 LYS CB C 13 32.538 0.019 . 1 . . . . 107 LYS CB . 15135 1 486 . 1 1 107 107 LYS N N 15 119.064 0.031 . 1 . . . . 107 LYS N . 15135 1 487 . 1 1 108 108 SER H H 1 8.075 0.002 . 1 . . . . 108 SER H . 15135 1 488 . 1 1 108 108 SER C C 13 175.661 0.050 . 1 . . . . 108 SER C . 15135 1 489 . 1 1 108 108 SER CA C 13 59.805 0.041 . 1 . . . . 108 SER CA . 15135 1 490 . 1 1 108 108 SER CB C 13 63.611 0.157 . 1 . . . . 108 SER CB . 15135 1 491 . 1 1 108 108 SER N N 15 113.888 0.016 . 1 . . . . 108 SER N . 15135 1 492 . 1 1 109 109 SER H H 1 8.232 0.005 . 1 . . . . 109 SER H . 15135 1 493 . 1 1 109 109 SER C C 13 175.655 0.050 . 1 . . . . 109 SER C . 15135 1 494 . 1 1 109 109 SER CA C 13 59.902 0.045 . 1 . . . . 109 SER CA . 15135 1 495 . 1 1 109 109 SER CB C 13 63.355 0.050 . 1 . . . . 109 SER CB . 15135 1 496 . 1 1 109 109 SER N N 15 117.392 0.013 . 1 . . . . 109 SER N . 15135 1 497 . 1 1 110 110 LEU H H 1 8.077 0.005 . 1 . . . . 110 LEU H . 15135 1 498 . 1 1 110 110 LEU C C 13 178.367 0.050 . 1 . . . . 110 LEU C . 15135 1 499 . 1 1 110 110 LEU CA C 13 57.748 0.041 . 1 . . . . 110 LEU CA . 15135 1 500 . 1 1 110 110 LEU CB C 13 42.506 0.025 . 1 . . . . 110 LEU CB . 15135 1 501 . 1 1 110 110 LEU N N 15 123.446 0.018 . 1 . . . . 110 LEU N . 15135 1 502 . 1 1 111 111 VAL H H 1 7.94 0.005 . 1 . . . . 111 VAL H . 15135 1 503 . 1 1 111 111 VAL C C 13 177.392 0.050 . 1 . . . . 111 VAL C . 15135 1 504 . 1 1 111 111 VAL CA C 13 65.332 0.030 . 1 . . . . 111 VAL CA . 15135 1 505 . 1 1 111 111 VAL CB C 13 32.233 0.001 . 1 . . . . 111 VAL CB . 15135 1 506 . 1 1 111 111 VAL N N 15 116.722 0.011 . 1 . . . . 111 VAL N . 15135 1 507 . 1 1 112 112 THR H H 1 8.02 0.004 . 1 . . . . 112 THR H . 15135 1 508 . 1 1 112 112 THR C C 13 176.483 0.050 . 1 . . . . 112 THR C . 15135 1 509 . 1 1 112 112 THR CA C 13 64.751 0.012 . 1 . . . . 112 THR CA . 15135 1 510 . 1 1 112 112 THR CB C 13 68.916 0.030 . 1 . . . . 112 THR CB . 15135 1 511 . 1 1 112 112 THR N N 15 112.27 0.020 . 1 . . . . 112 THR N . 15135 1 512 . 1 1 113 113 SER H H 1 8.036 0.009 . 1 . . . . 113 SER H . 15135 1 513 . 1 1 113 113 SER C C 13 175.884 0.050 . 1 . . . . 113 SER C . 15135 1 514 . 1 1 113 113 SER CA C 13 60.703 0.040 . 1 . . . . 113 SER CA . 15135 1 515 . 1 1 113 113 SER CB C 13 63.486 0.007 . 1 . . . . 113 SER CB . 15135 1 516 . 1 1 113 113 SER N N 15 116.318 0.017 . 1 . . . . 113 SER N . 15135 1 517 . 1 1 114 114 LYS H H 1 7.928 0.005 . 1 . . . . 114 LYS H . 15135 1 518 . 1 1 114 114 LYS C C 13 177.82 0.050 . 1 . . . . 114 LYS C . 15135 1 519 . 1 1 114 114 LYS CA C 13 57.214 0.068 . 1 . . . . 114 LYS CA . 15135 1 520 . 1 1 114 114 LYS CB C 13 32.691 0.043 . 1 . . . . 114 LYS CB . 15135 1 521 . 1 1 114 114 LYS N N 15 120.836 0.024 . 1 . . . . 114 LYS N . 15135 1 522 . 1 1 115 115 LEU H H 1 7.817 0.007 . 1 . . . . 115 LEU H . 15135 1 523 . 1 1 115 115 LEU C C 13 177.35 0.050 . 1 . . . . 115 LEU C . 15135 1 524 . 1 1 115 115 LEU CA C 13 55.873 0.058 . 1 . . . . 115 LEU CA . 15135 1 525 . 1 1 115 115 LEU CB C 13 42.154 0.023 . 1 . . . . 115 LEU CB . 15135 1 526 . 1 1 115 115 LEU N N 15 118.691 0.020 . 1 . . . . 115 LEU N . 15135 1 527 . 1 1 116 116 ALA H H 1 7.89 0.003 . 1 . . . . 116 ALA H . 15135 1 528 . 1 1 116 116 ALA C C 13 178.602 0.050 . 1 . . . . 116 ALA C . 15135 1 529 . 1 1 116 116 ALA CA C 13 53.08 0.082 . 1 . . . . 116 ALA CA . 15135 1 530 . 1 1 116 116 ALA CB C 13 19.308 0.008 . 1 . . . . 116 ALA CB . 15135 1 531 . 1 1 116 116 ALA N N 15 121.725 0.045 . 1 . . . . 116 ALA N . 15135 1 532 . 1 1 117 117 GLY H H 1 8.091 0.007 . 1 . . . . 117 GLY H . 15135 1 533 . 1 1 117 117 GLY C C 13 175.02 0.050 . 1 . . . . 117 GLY C . 15135 1 534 . 1 1 117 117 GLY CA C 13 45.809 0.075 . 1 . . . . 117 GLY CA . 15135 1 535 . 1 1 117 117 GLY N N 15 107.045 0.024 . 1 . . . . 117 GLY N . 15135 1 536 . 1 1 118 118 GLY H H 1 8.218 0.004 . 1 . . . . 118 GLY H . 15135 1 537 . 1 1 118 118 GLY C C 13 174.129 0.050 . 1 . . . . 118 GLY C . 15135 1 538 . 1 1 118 118 GLY CA C 13 45.312 0.087 . 1 . . . . 118 GLY CA . 15135 1 539 . 1 1 118 118 GLY N N 15 108.301 0.012 . 1 . . . . 118 GLY N . 15135 1 540 . 1 1 119 119 GLN H H 1 8.226 0.005 . 1 . . . . 119 GLN H . 15135 1 541 . 1 1 119 119 GLN C C 13 175.926 0.050 . 1 . . . . 119 GLN C . 15135 1 542 . 1 1 119 119 GLN CA C 13 55.782 0.054 . 1 . . . . 119 GLN CA . 15135 1 543 . 1 1 119 119 GLN CB C 13 29.588 0.036 . 1 . . . . 119 GLN CB . 15135 1 544 . 1 1 119 119 GLN N N 15 119.796 0.017 . 1 . . . . 119 GLN N . 15135 1 545 . 1 1 120 120 VAL H H 1 8.205 0.003 . 1 . . . . 120 VAL H . 15135 1 546 . 1 1 120 120 VAL C C 13 175.356 0.050 . 1 . . . . 120 VAL C . 15135 1 547 . 1 1 120 120 VAL CA C 13 62.349 0.016 . 1 . . . . 120 VAL CA . 15135 1 548 . 1 1 120 120 VAL CB C 13 33.127 0.007 . 1 . . . . 120 VAL CB . 15135 1 549 . 1 1 120 120 VAL N N 15 121.688 0.019 . 1 . . . . 120 VAL N . 15135 1 550 . 1 1 121 121 GLU H H 1 8.056 0.001 . 1 . . . . 121 GLU H . 15135 1 551 . 1 1 121 121 GLU CA C 13 58.196 0.042 . 1 . . . . 121 GLU CA . 15135 1 552 . 1 1 121 121 GLU CB C 13 31.381 0.050 . 1 . . . . 121 GLU CB . 15135 1 553 . 1 1 121 121 GLU N N 15 129.609 0.100 . 1 . . . . 121 GLU N . 15135 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 24 15135 1 1 29 15135 1 1 51 15135 1 2 25 15135 1 2 30 15135 1 2 52 15135 1 3 26 15135 1 3 31 15135 1 3 53 15135 1 4 27 15135 1 4 32 15135 1 4 54 15135 1 5 28 15135 1 5 33 15135 1 5 55 15135 1 stop_ save_