################################### # 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 15136 _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' . . . 15136 1 2 '3D CBCA(CO)NH' . . . 15136 1 3 '3D HNCO' . . . 15136 1 4 '3D HNCA' . . . 15136 1 5 '3D HNCACB' . . . 15136 1 6 '3D HNN' . . . 15136 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 $SPARKY . . 15136 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 5 5 GLN C C 13 176.016 0.05 . 1 . . . . 5 GLN C . 15136 1 2 . 1 1 5 5 GLN CA C 13 55.945 0.022 . 1 . . . . 5 GLN CA . 15136 1 3 . 1 1 5 5 GLN CB C 13 29.398 0.05 . 1 . . . . 5 GLN CB . 15136 1 4 . 1 1 6 6 GLU H H 1 8.613 0.001 . 1 . . . . 6 GLU H . 15136 1 5 . 1 1 6 6 GLU C C 13 176.487 0.05 . 1 . . . . 6 GLU C . 15136 1 6 . 1 1 6 6 GLU CA C 13 56.67 0.074 . 1 . . . . 6 GLU CA . 15136 1 7 . 1 1 6 6 GLU CB C 13 30.241 0.004 . 1 . . . . 6 GLU CB . 15136 1 8 . 1 1 6 6 GLU N N 15 122.33 0.065 . 1 . . . . 6 GLU N . 15136 1 9 . 1 1 7 7 GLU H H 1 8.472 0.001 . 5 . . . . 7 GLU H . 15136 1 10 . 1 1 7 7 GLU C C 13 176.282 0.05 . 5 . . . . 7 GLU C . 15136 1 11 . 1 1 7 7 GLU CA C 13 56.294 0.075 . 5 . . . . 7 GLU CA . 15136 1 12 . 1 1 7 7 GLU CB C 13 30.537 0.008 . 5 . . . . 7 GLU CB . 15136 1 13 . 1 1 7 7 GLU N N 15 121.499 0.023 . 5 . . . . 7 GLU N . 15136 1 14 . 1 1 8 8 GLU H H 1 8.484 0.002 . 5 . . . . 8 GLU H . 15136 1 15 . 1 1 8 8 GLU C C 13 175.952 0.05 . 5 . . . . 8 GLU C . 15136 1 16 . 1 1 8 8 GLU CA C 13 56.49 0.049 . 5 . . . . 8 GLU CA . 15136 1 17 . 1 1 8 8 GLU CB C 13 30.564 0.012 . 5 . . . . 8 GLU CB . 15136 1 18 . 1 1 8 8 GLU N N 15 122.076 0.051 . 5 . . . . 8 GLU N . 15136 1 19 . 1 1 9 9 ASN H H 1 8.654 0.003 . 1 . . . . 9 ASN H . 15136 1 20 . 1 1 9 9 ASN CA C 13 51.3 0.043 . 1 . . . . 9 ASN CA . 15136 1 21 . 1 1 9 9 ASN CB C 13 38.893 0.05 . 1 . . . . 9 ASN CB . 15136 1 22 . 1 1 9 9 ASN N N 15 120.648 0.018 . 1 . . . . 9 ASN N . 15136 1 23 . 1 1 10 10 PRO C C 13 176.621 0.05 . 1 . . . . 10 PRO C . 15136 1 24 . 1 1 10 10 PRO CA C 13 63.116 0.086 . 1 . . . . 10 PRO CA . 15136 1 25 . 1 1 10 10 PRO CB C 13 32.132 0.045 . 1 . . . . 10 PRO CB . 15136 1 26 . 1 1 11 11 ALA H H 1 8.433 0.002 . 1 . . . . 11 ALA H . 15136 1 27 . 1 1 11 11 ALA C C 13 177.797 0.05 . 1 . . . . 11 ALA C . 15136 1 28 . 1 1 11 11 ALA CA C 13 52.421 0.016 . 1 . . . . 11 ALA CA . 15136 1 29 . 1 1 11 11 ALA CB C 13 19.204 0.005 . 1 . . . . 11 ALA CB . 15136 1 30 . 1 1 11 11 ALA N N 15 124.262 0.029 . 1 . . . . 11 ALA N . 15136 1 31 . 1 1 12 12 GLU H H 1 8.379 0.002 . 1 . . . . 12 GLU H . 15136 1 32 . 1 1 12 12 GLU C C 13 176.482 0.05 . 1 . . . . 12 GLU C . 15136 1 33 . 1 1 12 12 GLU CA C 13 56.358 0.031 . 1 . . . . 12 GLU CA . 15136 1 34 . 1 1 12 12 GLU CB C 13 30.556 0.011 . 1 . . . . 12 GLU CB . 15136 1 35 . 1 1 12 12 GLU N N 15 120.417 0.019 . 1 . . . . 12 GLU N . 15136 1 36 . 1 1 13 13 GLU H H 1 8.569 0.002 . 1 . . . . 13 GLU H . 15136 1 37 . 1 1 13 13 GLU C C 13 176.791 0.05 . 1 . . . . 13 GLU C . 15136 1 38 . 1 1 13 13 GLU CA C 13 56.335 0.051 . 1 . . . . 13 GLU CA . 15136 1 39 . 1 1 13 13 GLU CB C 13 30.376 0.044 . 1 . . . . 13 GLU CB . 15136 1 40 . 1 1 13 13 GLU N N 15 122.795 0.023 . 1 . . . . 13 GLU N . 15136 1 41 . 1 1 14 14 THR H H 1 8.484 0.003 . 1 . . . . 14 THR H . 15136 1 42 . 1 1 14 14 THR C C 13 175.404 0.05 . 1 . . . . 14 THR C . 15136 1 43 . 1 1 14 14 THR CA C 13 61.89 0.082 . 1 . . . . 14 THR CA . 15136 1 44 . 1 1 14 14 THR CB C 13 69.999 0.061 . 1 . . . . 14 THR CB . 15136 1 45 . 1 1 14 14 THR N N 15 115.362 0.022 . 1 . . . . 14 THR N . 15136 1 46 . 1 1 15 15 GLY H H 1 8.597 0.002 . 1 . . . . 15 GLY H . 15136 1 47 . 1 1 15 15 GLY C C 13 174.179 0.05 . 1 . . . . 15 GLY C . 15136 1 48 . 1 1 15 15 GLY CA C 13 45.282 0.091 . 1 . . . . 15 GLY CA . 15136 1 49 . 1 1 15 15 GLY N N 15 111.411 0.026 . 1 . . . . 15 GLY N . 15136 1 50 . 1 1 16 16 GLU H H 1 8.343 0.002 . 1 . . . . 16 GLU H . 15136 1 51 . 1 1 16 16 GLU C C 13 176.563 0.05 . 1 . . . . 16 GLU C . 15136 1 52 . 1 1 16 16 GLU CA C 13 56.404 0.027 . 1 . . . . 16 GLU CA . 15136 1 53 . 1 1 16 16 GLU CB C 13 30.526 0.049 . 1 . . . . 16 GLU CB . 15136 1 54 . 1 1 16 16 GLU N N 15 120.71 0.02 . 1 . . . . 16 GLU N . 15136 1 55 . 1 1 17 17 GLU H H 1 8.673 0.002 . 1 . . . . 17 GLU H . 15136 1 56 . 1 1 17 17 GLU C C 13 176.521 0.05 . 1 . . . . 17 GLU C . 15136 1 57 . 1 1 17 17 GLU CA C 13 56.634 0.036 . 1 . . . . 17 GLU CA . 15136 1 58 . 1 1 17 17 GLU CB C 13 30.063 0.059 . 1 . . . . 17 GLU CB . 15136 1 59 . 1 1 17 17 GLU N N 15 122.671 0.052 . 1 . . . . 17 GLU N . 15136 1 60 . 1 1 18 18 LYS H H 1 8.503 0.002 . 1 . . . . 18 LYS H . 15136 1 61 . 1 1 18 18 LYS C C 13 176.56 0.05 . 1 . . . . 18 LYS C . 15136 1 62 . 1 1 18 18 LYS CA C 13 56.224 0.08 . 1 . . . . 18 LYS CA . 15136 1 63 . 1 1 18 18 LYS CB C 13 32.983 0.014 . 1 . . . . 18 LYS CB . 15136 1 64 . 1 1 18 18 LYS N N 15 123.423 0.026 . 1 . . . . 18 LYS N . 15136 1 65 . 1 1 19 19 GLN H H 1 8.57 0.002 . 1 . . . . 19 GLN H . 15136 1 66 . 1 1 19 19 GLN C C 13 175.812 0.05 . 1 . . . . 19 GLN C . 15136 1 67 . 1 1 19 19 GLN CA C 13 55.783 0.099 . 1 . . . . 19 GLN CA . 15136 1 68 . 1 1 19 19 GLN CB C 13 29.605 0.085 . 1 . . . . 19 GLN CB . 15136 1 69 . 1 1 19 19 GLN N N 15 122.082 0.039 . 1 . . . . 19 GLN N . 15136 1 70 . 1 1 20 20 ASP H H 1 8.602 0.004 . 5 . . . . 20 ASP H . 15136 1 71 . 1 1 20 20 ASP C C 13 176.599 0.05 . 5 . . . . 20 ASP C . 15136 1 72 . 1 1 20 20 ASP CA C 13 54.417 0.059 . 5 . . . . 20 ASP CA . 15136 1 73 . 1 1 20 20 ASP CB C 13 41.173 0.032 . 5 . . . . 20 ASP CB . 15136 1 74 . 1 1 20 20 ASP N N 15 122.287 0.038 . 5 . . . . 20 ASP N . 15136 1 75 . 1 1 21 21 THR H H 1 8.233 0.002 . 1 . . . . 21 THR H . 15136 1 76 . 1 1 21 21 THR C C 13 174.785 0.05 . 1 . . . . 21 THR C . 15136 1 77 . 1 1 21 21 THR CA C 13 62.006 0.083 . 1 . . . . 21 THR CA . 15136 1 78 . 1 1 21 21 THR CB C 13 69.577 0.05 . 1 . . . . 21 THR CB . 15136 1 79 . 1 1 21 21 THR N N 15 114.664 0.03 . 1 . . . . 21 THR N . 15136 1 80 . 1 1 22 22 GLN H H 1 8.474 0.004 . 1 . . . . 22 GLN H . 15136 1 81 . 1 1 22 22 GLN CA C 13 56.169 0.003 . 1 . . . . 22 GLN CA . 15136 1 82 . 1 1 22 22 GLN CB C 13 29.444 0.05 . 1 . . . . 22 GLN CB . 15136 1 83 . 1 1 22 22 GLN N N 15 122.375 0.029 . 1 . . . . 22 GLN N . 15136 1 84 . 1 1 24 24 LYS C C 13 176.994 0.05 . 1 . . . . 24 LYS C . 15136 1 85 . 1 1 24 24 LYS CA C 13 56.948 0.076 . 1 . . . . 24 LYS CA . 15136 1 86 . 1 1 24 24 LYS CB C 13 32.808 0.024 . 1 . . . . 24 LYS CB . 15136 1 87 . 1 1 25 25 GLU H H 1 8.161 0.003 . 1 . . . . 25 GLU H . 15136 1 88 . 1 1 25 25 GLU C C 13 176.948 0.05 . 1 . . . . 25 GLU C . 15136 1 89 . 1 1 25 25 GLU CA C 13 56.702 0.198 . 1 . . . . 25 GLU CA . 15136 1 90 . 1 1 25 25 GLU CB C 13 30.563 0.049 . 1 . . . . 25 GLU CB . 15136 1 91 . 1 1 25 25 GLU N N 15 120.98 0.059 . 1 . . . . 25 GLU N . 15136 1 92 . 1 1 26 26 GLY H H 1 8.552 0.007 . 1 . . . . 26 GLY H . 15136 1 93 . 1 1 26 26 GLY C C 13 173.725 0.05 . 1 . . . . 26 GLY C . 15136 1 94 . 1 1 26 26 GLY CA C 13 45.264 0.077 . 1 . . . . 26 GLY CA . 15136 1 95 . 1 1 26 26 GLY N N 15 110.414 0.022 . 1 . . . . 26 GLY N . 15136 1 96 . 1 1 27 27 ILE H H 1 7.994 0.001 . 1 . . . . 27 ILE H . 15136 1 97 . 1 1 27 27 ILE C C 13 176.207 0.05 . 1 . . . . 27 ILE C . 15136 1 98 . 1 1 27 27 ILE CA C 13 60.705 0.079 . 1 . . . . 27 ILE CA . 15136 1 99 . 1 1 27 27 ILE CB C 13 38.617 0.002 . 1 . . . . 27 ILE CB . 15136 1 100 . 1 1 27 27 ILE N N 15 120.124 0.026 . 1 . . . . 27 ILE N . 15136 1 101 . 1 1 28 28 LEU H H 1 8.504 0.002 . 1 . . . . 28 LEU H . 15136 1 102 . 1 1 28 28 LEU CA C 13 53.046 0.003 . 1 . . . . 28 LEU CA . 15136 1 103 . 1 1 28 28 LEU CB C 13 41.608 0.05 . 1 . . . . 28 LEU CB . 15136 1 104 . 1 1 28 28 LEU N N 15 128.467 0.03 . 1 . . . . 28 LEU N . 15136 1 105 . 1 1 29 29 PRO C C 13 177.215 0.05 . 1 . . . . 29 PRO C . 15136 1 106 . 1 1 29 29 PRO CA C 13 63.329 0.087 . 1 . . . . 29 PRO CA . 15136 1 107 . 1 1 29 29 PRO CB C 13 32.038 0.011 . 1 . . . . 29 PRO CB . 15136 1 108 . 1 1 30 30 GLU H H 1 8.716 0.003 . 1 . . . . 30 GLU H . 15136 1 109 . 1 1 30 30 GLU C C 13 177.001 0.05 . 1 . . . . 30 GLU C . 15136 1 110 . 1 1 30 30 GLU CA C 13 57.142 0.059 . 1 . . . . 30 GLU CA . 15136 1 111 . 1 1 30 30 GLU CB C 13 30.065 0.038 . 1 . . . . 30 GLU CB . 15136 1 112 . 1 1 30 30 GLU N N 15 120.701 0.021 . 1 . . . . 30 GLU N . 15136 1 113 . 1 1 31 31 ARG H H 1 8.397 0.002 . 1 . . . . 31 ARG H . 15136 1 114 . 1 1 31 31 ARG C C 13 176.774 0.05 . 1 . . . . 31 ARG C . 15136 1 115 . 1 1 31 31 ARG CA C 13 56.316 0.031 . 1 . . . . 31 ARG CA . 15136 1 116 . 1 1 31 31 ARG CB C 13 30.699 0.054 . 1 . . . . 31 ARG CB . 15136 1 117 . 1 1 31 31 ARG N N 15 121.976 0.034 . 1 . . . . 31 ARG N . 15136 1 118 . 1 1 32 32 ALA H H 1 8.433 0.005 . 1 . . . . 32 ALA H . 15136 1 119 . 1 1 32 32 ALA C C 13 178.797 0.05 . 1 . . . . 32 ALA C . 15136 1 120 . 1 1 32 32 ALA CA C 13 53.578 0.044 . 1 . . . . 32 ALA CA . 15136 1 121 . 1 1 32 32 ALA CB C 13 18.931 0.033 . 1 . . . . 32 ALA CB . 15136 1 122 . 1 1 32 32 ALA N N 15 125.471 0.044 . 1 . . . . 32 ALA N . 15136 1 123 . 1 1 33 33 GLU H H 1 8.612 0.002 . 1 . . . . 33 GLU H . 15136 1 124 . 1 1 33 33 GLU C C 13 177.62 0.05 . 1 . . . . 33 GLU C . 15136 1 125 . 1 1 33 33 GLU CA C 13 57.614 0.042 . 1 . . . . 33 GLU CA . 15136 1 126 . 1 1 33 33 GLU CB C 13 29.765 0.031 . 1 . . . . 33 GLU CB . 15136 1 127 . 1 1 33 33 GLU N N 15 119.464 0.035 . 1 . . . . 33 GLU N . 15136 1 128 . 1 1 34 34 GLU H H 1 8.272 0.002 . 1 . . . . 34 GLU H . 15136 1 129 . 1 1 34 34 GLU C C 13 177.409 0.05 . 1 . . . . 34 GLU C . 15136 1 130 . 1 1 34 34 GLU CA C 13 57.79 0.052 . 1 . . . . 34 GLU CA . 15136 1 131 . 1 1 34 34 GLU CB C 13 29.91 0.046 . 1 . . . . 34 GLU CB . 15136 1 132 . 1 1 34 34 GLU N N 15 121.205 0.079 . 1 . . . . 34 GLU N . 15136 1 133 . 1 1 35 35 ALA H H 1 8.184 0.005 . 1 . . . . 35 ALA H . 15136 1 134 . 1 1 35 35 ALA C C 13 179.049 0.05 . 1 . . . . 35 ALA C . 15136 1 135 . 1 1 35 35 ALA CA C 13 53.749 0.045 . 1 . . . . 35 ALA CA . 15136 1 136 . 1 1 35 35 ALA CB C 13 18.641 0.003 . 1 . . . . 35 ALA CB . 15136 1 137 . 1 1 35 35 ALA N N 15 123.3 0.089 . 1 . . . . 35 ALA N . 15136 1 138 . 1 1 36 36 LYS H H 1 8.039 0.002 . 1 . . . . 36 LYS H . 15136 1 139 . 1 1 36 36 LYS C C 13 177.636 0.05 . 1 . . . . 36 LYS C . 15136 1 140 . 1 1 36 36 LYS CA C 13 57.458 0.052 . 1 . . . . 36 LYS CA . 15136 1 141 . 1 1 36 36 LYS CB C 13 32.724 0.015 . 1 . . . . 36 LYS CB . 15136 1 142 . 1 1 36 36 LYS N N 15 119.102 0.036 . 1 . . . . 36 LYS N . 15136 1 143 . 1 1 37 37 LEU H H 1 7.974 0.002 . 1 . . . . 37 LEU H . 15136 1 144 . 1 1 37 37 LEU C C 13 177.963 0.05 . 1 . . . . 37 LEU C . 15136 1 145 . 1 1 37 37 LEU CA C 13 56.012 0.11 . 1 . . . . 37 LEU CA . 15136 1 146 . 1 1 37 37 LEU CB C 13 42.081 0.014 . 1 . . . . 37 LEU CB . 15136 1 147 . 1 1 37 37 LEU N N 15 121.249 0.047 . 1 . . . . 37 LEU N . 15136 1 148 . 1 1 38 38 LYS H H 1 8.083 0.002 . 1 . . . . 38 LYS H . 15136 1 149 . 1 1 38 38 LYS C C 13 176.723 0.05 . 1 . . . . 38 LYS C . 15136 1 150 . 1 1 38 38 LYS CA C 13 56.862 0.06 . 1 . . . . 38 LYS CA . 15136 1 151 . 1 1 38 38 LYS CB C 13 32.795 0.022 . 1 . . . . 38 LYS CB . 15136 1 152 . 1 1 38 38 LYS N N 15 120.646 0.02 . 1 . . . . 38 LYS N . 15136 1 153 . 1 1 39 39 ALA H H 1 7.975 0.002 . 1 . . . . 39 ALA H . 15136 1 154 . 1 1 39 39 ALA C C 13 177.577 0.05 . 1 . . . . 39 ALA C . 15136 1 155 . 1 1 39 39 ALA CA C 13 52.707 0.042 . 1 . . . . 39 ALA CA . 15136 1 156 . 1 1 39 39 ALA CB C 13 19.068 0.03 . 1 . . . . 39 ALA CB . 15136 1 157 . 1 1 39 39 ALA N N 15 123.292 0.053 . 1 . . . . 39 ALA N . 15136 1 158 . 1 1 40 40 LYS H H 1 8.028 0.002 . 1 . . . . 40 LYS H . 15136 1 159 . 1 1 40 40 LYS C C 13 175.957 0.05 . 1 . . . . 40 LYS C . 15136 1 160 . 1 1 40 40 LYS CA C 13 56.562 0.108 . 1 . . . . 40 LYS CA . 15136 1 161 . 1 1 40 40 LYS CB C 13 33.176 0.107 . 1 . . . . 40 LYS CB . 15136 1 162 . 1 1 40 40 LYS N N 15 119.738 0.054 . 1 . . . . 40 LYS N . 15136 1 163 . 1 1 41 41 TYR H H 1 8.089 0.002 . 1 . . . . 41 TYR H . 15136 1 164 . 1 1 41 41 TYR CA C 13 55.354 0.036 . 1 . . . . 41 TYR CA . 15136 1 165 . 1 1 41 41 TYR CB C 13 38.257 0.05 . 1 . . . . 41 TYR CB . 15136 1 166 . 1 1 41 41 TYR N N 15 120.377 0.047 . 1 . . . . 41 TYR N . 15136 1 167 . 1 1 42 42 PRO C C 13 176.943 0.05 . 1 . . . . 42 PRO C . 15136 1 168 . 1 1 42 42 PRO CA C 13 63.082 0.085 . 1 . . . . 42 PRO CA . 15136 1 169 . 1 1 42 42 PRO CB C 13 32.037 0.063 . 1 . . . . 42 PRO CB . 15136 1 170 . 1 1 43 43 SER H H 1 8.451 0.003 . 1 . . . . 43 SER H . 15136 1 171 . 1 1 43 43 SER C C 13 174.881 0.05 . 1 . . . . 43 SER C . 15136 1 172 . 1 1 43 43 SER CA C 13 58.242 0.078 . 1 . . . . 43 SER CA . 15136 1 173 . 1 1 43 43 SER CB C 13 63.768 0.057 . 1 . . . . 43 SER CB . 15136 1 174 . 1 1 43 43 SER N N 15 116.149 0.031 . 1 . . . . 43 SER N . 15136 1 175 . 1 1 44 44 LEU H H 1 8.397 0.003 . 1 . . . . 44 LEU H . 15136 1 176 . 1 1 44 44 LEU C C 13 177.983 0.05 . 1 . . . . 44 LEU C . 15136 1 177 . 1 1 44 44 LEU CA C 13 55.516 0.069 . 1 . . . . 44 LEU CA . 15136 1 178 . 1 1 44 44 LEU CB C 13 42.231 0.02 . 1 . . . . 44 LEU CB . 15136 1 179 . 1 1 44 44 LEU N N 15 124.261 0.026 . 1 . . . . 44 LEU N . 15136 1 180 . 1 1 45 45 GLY H H 1 8.512 0.004 . 1 . . . . 45 GLY H . 15136 1 181 . 1 1 45 45 GLY C C 13 173.979 0.05 . 1 . . . . 45 GLY C . 15136 1 182 . 1 1 45 45 GLY CA C 13 45.262 0.068 . 1 . . . . 45 GLY CA . 15136 1 183 . 1 1 45 45 GLY N N 15 109.515 0.049 . 1 . . . . 45 GLY N . 15136 1 184 . 1 1 46 46 GLN H H 1 8.21 0.002 . 1 . . . . 46 GLN H . 15136 1 185 . 1 1 46 46 GLN C C 13 175.838 0.05 . 1 . . . . 46 GLN C . 15136 1 186 . 1 1 46 46 GLN CA C 13 55.502 0.066 . 1 . . . . 46 GLN CA . 15136 1 187 . 1 1 46 46 GLN CB C 13 29.745 0.022 . 1 . . . . 46 GLN CB . 15136 1 188 . 1 1 46 46 GLN N N 15 119.659 0.042 . 1 . . . . 46 GLN N . 15136 1 189 . 1 1 47 47 LYS H H 1 8.51 0.001 . 1 . . . . 47 LYS H . 15136 1 190 . 1 1 47 47 LYS CA C 13 54.311 0.027 . 1 . . . . 47 LYS CA . 15136 1 191 . 1 1 47 47 LYS CB C 13 32.465 0.05 . 1 . . . . 47 LYS CB . 15136 1 192 . 1 1 47 47 LYS N N 15 124.327 0.02 . 1 . . . . 47 LYS N . 15136 1 193 . 1 1 48 48 PRO C C 13 177.493 0.05 . 1 . . . . 48 PRO C . 15136 1 194 . 1 1 48 48 PRO CA C 13 63.361 0.05 . 1 . . . . 48 PRO CA . 15136 1 195 . 1 1 48 48 PRO CB C 13 32.009 0.05 . 1 . . . . 48 PRO CB . 15136 1 196 . 1 1 49 49 GLY H H 1 8.606 0.002 . 1 . . . . 49 GLY H . 15136 1 197 . 1 1 49 49 GLY C C 13 174.79 0.05 . 1 . . . . 49 GLY C . 15136 1 198 . 1 1 49 49 GLY CA C 13 45.237 0.073 . 1 . . . . 49 GLY CA . 15136 1 199 . 1 1 49 49 GLY N N 15 110.142 0.051 . 1 . . . . 49 GLY N . 15136 1 200 . 1 1 50 50 GLY H H 1 8.392 0.004 . 1 . . . . 50 GLY H . 15136 1 201 . 1 1 50 50 GLY CA C 13 45.224 0.095 . 1 . . . . 50 GLY CA . 15136 1 202 . 1 1 50 50 GLY N N 15 108.819 0.015 . 1 . . . . 50 GLY N . 15136 1 203 . 1 1 51 51 SER CA C 13 58.799 0.05 . 1 . . . . 51 SER CA . 15136 1 204 . 1 1 51 51 SER CB C 13 63.521 0.05 . 1 . . . . 51 SER CB . 15136 1 205 . 1 1 52 52 ASP H H 1 8.486 0.003 . 1 . . . . 52 ASP H . 15136 1 206 . 1 1 52 52 ASP C C 13 176.592 0.05 . 1 . . . . 52 ASP C . 15136 1 207 . 1 1 52 52 ASP CA C 13 55.05 0.032 . 1 . . . . 52 ASP CA . 15136 1 208 . 1 1 52 52 ASP CB C 13 40.849 0.029 . 1 . . . . 52 ASP CB . 15136 1 209 . 1 1 52 52 ASP N N 15 122.42 0.029 . 1 . . . . 52 ASP N . 15136 1 210 . 1 1 53 53 PHE H H 1 8.113 0.001 . 1 . . . . 53 PHE H . 15136 1 211 . 1 1 53 53 PHE C C 13 176.369 0.05 . 1 . . . . 53 PHE C . 15136 1 212 . 1 1 53 53 PHE CA C 13 58.973 0.054 . 1 . . . . 53 PHE CA . 15136 1 213 . 1 1 53 53 PHE CB C 13 39.152 0.011 . 1 . . . . 53 PHE CB . 15136 1 214 . 1 1 53 53 PHE N N 15 120.018 0.034 . 1 . . . . 53 PHE N . 15136 1 215 . 1 1 54 54 LEU H H 1 8.023 0.002 . 1 . . . . 54 LEU H . 15136 1 216 . 1 1 54 54 LEU C C 13 177.802 0.05 . 1 . . . . 54 LEU C . 15136 1 217 . 1 1 54 54 LEU CA C 13 56.016 0.074 . 1 . . . . 54 LEU CA . 15136 1 218 . 1 1 54 54 LEU CB C 13 41.986 0.021 . 1 . . . . 54 LEU CB . 15136 1 219 . 1 1 54 54 LEU N N 15 121.722 0.04 . 1 . . . . 54 LEU N . 15136 1 220 . 1 1 55 55 MET H H 1 8.128 0.002 . 1 . . . . 55 MET H . 15136 1 221 . 1 1 55 55 MET CA C 13 56.102 0.015 . 1 . . . . 55 MET CA . 15136 1 222 . 1 1 55 55 MET CB C 13 32.511 0.05 . 1 . . . . 55 MET CB . 15136 1 223 . 1 1 55 55 MET N N 15 119.608 0.047 . 1 . . . . 55 MET N . 15136 1 224 . 1 1 56 56 LYS C C 13 176.602 0.05 . 1 . . . . 56 LYS C . 15136 1 225 . 1 1 56 56 LYS CA C 13 56.333 0.004 . 1 . . . . 56 LYS CA . 15136 1 226 . 1 1 56 56 LYS CB C 13 33.14 0.004 . 1 . . . . 56 LYS CB . 15136 1 227 . 1 1 57 57 ARG H H 1 8.497 0.003 . 1 . . . . 57 ARG H . 15136 1 228 . 1 1 57 57 ARG C C 13 176.661 0.05 . 1 . . . . 57 ARG C . 15136 1 229 . 1 1 57 57 ARG CA C 13 56.656 0.092 . 1 . . . . 57 ARG CA . 15136 1 230 . 1 1 57 57 ARG CB C 13 30.5 0.142 . 1 . . . . 57 ARG CB . 15136 1 231 . 1 1 57 57 ARG N N 15 121.78 0.016 . 1 . . . . 57 ARG N . 15136 1 232 . 1 1 58 58 LEU H H 1 8.202 0.002 . 1 . . . . 58 LEU H . 15136 1 233 . 1 1 58 58 LEU C C 13 177.624 0.05 . 1 . . . . 58 LEU C . 15136 1 234 . 1 1 58 58 LEU CA C 13 55.401 0.043 . 1 . . . . 58 LEU CA . 15136 1 235 . 1 1 58 58 LEU CB C 13 42.242 0.066 . 1 . . . . 58 LEU CB . 15136 1 236 . 1 1 58 58 LEU N N 15 122.429 0.028 . 1 . . . . 58 LEU N . 15136 1 237 . 1 1 59 59 GLN H H 1 8.295 0.002 . 1 . . . . 59 GLN H . 15136 1 238 . 1 1 59 59 GLN C C 13 176.211 0.05 . 1 . . . . 59 GLN C . 15136 1 239 . 1 1 59 59 GLN CA C 13 56.031 0.161 . 1 . . . . 59 GLN CA . 15136 1 240 . 1 1 59 59 GLN CB C 13 29.496 0.064 . 1 . . . . 59 GLN CB . 15136 1 241 . 1 1 59 59 GLN N N 15 120.856 0.028 . 1 . . . . 59 GLN N . 15136 1 242 . 1 1 60 60 LYS H H 1 8.529 0.001 . 1 . . . . 60 LYS H . 15136 1 243 . 1 1 60 60 LYS C C 13 176.969 0.05 . 1 . . . . 60 LYS C . 15136 1 244 . 1 1 60 60 LYS CA C 13 56.817 0.047 . 1 . . . . 60 LYS CA . 15136 1 245 . 1 1 60 60 LYS CB C 13 30.212 0.118 . 1 . . . . 60 LYS CB . 15136 1 246 . 1 1 60 60 LYS N N 15 122.427 0.013 . 1 . . . . 60 LYS N . 15136 1 247 . 1 1 61 61 GLY H H 1 8.496 0.024 . 1 . . . . 61 GLY H . 15136 1 248 . 1 1 61 61 GLY C C 13 174.116 0.05 . 1 . . . . 61 GLY C . 15136 1 249 . 1 1 61 61 GLY CA C 13 45.248 0.07 . 1 . . . . 61 GLY CA . 15136 1 250 . 1 1 61 61 GLY N N 15 110.122 0.172 . 1 . . . . 61 GLY N . 15136 1 251 . 1 1 62 62 GLN H H 1 8.19 0.002 . 1 . . . . 62 GLN H . 15136 1 252 . 1 1 62 62 GLN C C 13 175.925 0.05 . 1 . . . . 62 GLN C . 15136 1 253 . 1 1 62 62 GLN CA C 13 55.826 0.037 . 1 . . . . 62 GLN CA . 15136 1 254 . 1 1 62 62 GLN CB C 13 29.605 0.056 . 1 . . . . 62 GLN CB . 15136 1 255 . 1 1 62 62 GLN N N 15 120.017 0.074 . 1 . . . . 62 GLN N . 15136 1 256 . 1 1 63 63 LYS H H 1 8.581 0.003 . 1 . . . . 63 LYS H . 15136 1 257 . 1 1 63 63 LYS C C 13 176.061 0.05 . 1 . . . . 63 LYS C . 15136 1 258 . 1 1 63 63 LYS CA C 13 56.479 0.067 . 1 . . . . 63 LYS CA . 15136 1 259 . 1 1 63 63 LYS CB C 13 33.088 0.011 . 1 . . . . 63 LYS CB . 15136 1 260 . 1 1 63 63 LYS N N 15 123.649 0.013 . 1 . . . . 63 LYS N . 15136 1 261 . 1 1 64 64 TYR H H 1 8.176 0.002 . 1 . . . . 64 TYR H . 15136 1 262 . 1 1 64 64 TYR C C 13 175.301 0.05 . 1 . . . . 64 TYR C . 15136 1 263 . 1 1 64 64 TYR CA C 13 57.854 0.032 . 1 . . . . 64 TYR CA . 15136 1 264 . 1 1 64 64 TYR CB C 13 39.074 0.055 . 1 . . . . 64 TYR CB . 15136 1 265 . 1 1 64 64 TYR N N 15 120.667 0.031 . 1 . . . . 64 TYR N . 15136 1 266 . 1 1 65 65 PHE H H 1 8.147 0.003 . 1 . . . . 65 PHE H . 15136 1 267 . 1 1 65 65 PHE C C 13 174.858 0.05 . 1 . . . . 65 PHE C . 15136 1 268 . 1 1 65 65 PHE CA C 13 57.686 0.045 . 1 . . . . 65 PHE CA . 15136 1 269 . 1 1 65 65 PHE CB C 13 39.936 0.079 . 1 . . . . 65 PHE CB . 15136 1 270 . 1 1 65 65 PHE N N 15 121.932 0.031 . 1 . . . . 65 PHE N . 15136 1 271 . 1 1 66 66 ASP H H 1 8.333 0.001 . 1 . . . . 66 ASP H . 15136 1 272 . 1 1 66 66 ASP C C 13 176.111 0.05 . 1 . . . . 66 ASP C . 15136 1 273 . 1 1 66 66 ASP CA C 13 53.886 0.044 . 1 . . . . 66 ASP CA . 15136 1 274 . 1 1 66 66 ASP CB C 13 41.617 0.028 . 1 . . . . 66 ASP CB . 15136 1 275 . 1 1 66 66 ASP N N 15 122.698 0.04 . 1 . . . . 66 ASP N . 15136 1 276 . 1 1 67 67 SER H H 1 8.363 0.003 . 1 . . . . 67 SER H . 15136 1 277 . 1 1 67 67 SER C C 13 175.361 0.05 . 1 . . . . 67 SER C . 15136 1 278 . 1 1 67 67 SER CA C 13 58.977 0.048 . 1 . . . . 67 SER CA . 15136 1 279 . 1 1 67 67 SER CB C 13 63.718 0.01 . 1 . . . . 67 SER CB . 15136 1 280 . 1 1 67 67 SER N N 15 117.374 0.047 . 1 . . . . 67 SER N . 15136 1 281 . 1 1 68 68 GLY H H 1 8.552 0.002 . 1 . . . . 68 GLY H . 15136 1 282 . 1 1 68 68 GLY C C 13 174.218 0.05 . 1 . . . . 68 GLY C . 15136 1 283 . 1 1 68 68 GLY CA C 13 45.778 0.024 . 1 . . . . 68 GLY CA . 15136 1 284 . 1 1 68 68 GLY N N 15 110.801 0.049 . 1 . . . . 68 GLY N . 15136 1 285 . 1 1 69 69 ASP H H 1 8.153 0.003 . 1 . . . . 69 ASP H . 15136 1 286 . 1 1 69 69 ASP C C 13 176.682 0.05 . 1 . . . . 69 ASP C . 15136 1 287 . 1 1 69 69 ASP CA C 13 54.662 0.042 . 1 . . . . 69 ASP CA . 15136 1 288 . 1 1 69 69 ASP CB C 13 41.065 0.027 . 1 . . . . 69 ASP CB . 15136 1 289 . 1 1 69 69 ASP N N 15 120.579 0.047 . 1 . . . . 69 ASP N . 15136 1 290 . 1 1 70 70 TYR H H 1 8.182 0.002 . 1 . . . . 70 TYR H . 15136 1 291 . 1 1 70 70 TYR C C 13 176.144 0.05 . 1 . . . . 70 TYR C . 15136 1 292 . 1 1 70 70 TYR CA C 13 58.97 0.075 . 1 . . . . 70 TYR CA . 15136 1 293 . 1 1 70 70 TYR CB C 13 38.378 0.006 . 1 . . . . 70 TYR CB . 15136 1 294 . 1 1 70 70 TYR N N 15 121.379 0.071 . 1 . . . . 70 TYR N . 15136 1 295 . 1 1 71 71 ASN H H 1 8.308 0.002 . 1 . . . . 71 ASN H . 15136 1 296 . 1 1 71 71 ASN C C 13 176.106 0.05 . 1 . . . . 71 ASN C . 15136 1 297 . 1 1 71 71 ASN CA C 13 54.035 0.071 . 1 . . . . 71 ASN CA . 15136 1 298 . 1 1 71 71 ASN CB C 13 38.546 0.041 . 1 . . . . 71 ASN CB . 15136 1 299 . 1 1 71 71 ASN N N 15 119.509 0.046 . 1 . . . . 71 ASN N . 15136 1 300 . 1 1 72 72 MET H H 1 8.247 0.001 . 1 . . . . 72 MET H . 15136 1 301 . 1 1 72 72 MET C C 13 176.796 0.05 . 1 . . . . 72 MET C . 15136 1 302 . 1 1 72 72 MET CA C 13 56.523 0.039 . 1 . . . . 72 MET CA . 15136 1 303 . 1 1 72 72 MET CB C 13 32.428 0.085 . 1 . . . . 72 MET CB . 15136 1 304 . 1 1 72 72 MET N N 15 120.879 0.045 . 1 . . . . 72 MET N . 15136 1 305 . 1 1 73 73 ALA H H 1 8.167 0.002 . 1 . . . . 73 ALA H . 15136 1 306 . 1 1 73 73 ALA C C 13 178.859 0.05 . 1 . . . . 73 ALA C . 15136 1 307 . 1 1 73 73 ALA CA C 13 53.549 0.057 . 1 . . . . 73 ALA CA . 15136 1 308 . 1 1 73 73 ALA CB C 13 18.696 0.024 . 1 . . . . 73 ALA CB . 15136 1 309 . 1 1 73 73 ALA N N 15 123.643 0.071 . 1 . . . . 73 ALA N . 15136 1 310 . 1 1 74 74 LYS H H 1 8.119 0.002 . 1 . . . . 74 LYS H . 15136 1 311 . 1 1 74 74 LYS C C 13 177.358 0.05 . 1 . . . . 74 LYS C . 15136 1 312 . 1 1 74 74 LYS CA C 13 57.113 0.047 . 1 . . . . 74 LYS CA . 15136 1 313 . 1 1 74 74 LYS CB C 13 32.644 0.022 . 1 . . . . 74 LYS CB . 15136 1 314 . 1 1 74 74 LYS N N 15 119.393 0.05 . 1 . . . . 74 LYS N . 15136 1 315 . 1 1 75 75 ALA H H 1 8.076 0.002 . 1 . . . . 75 ALA H . 15136 1 316 . 1 1 75 75 ALA C C 13 178.387 0.05 . 1 . . . . 75 ALA C . 15136 1 317 . 1 1 75 75 ALA CA C 13 53.334 0.068 . 1 . . . . 75 ALA CA . 15136 1 318 . 1 1 75 75 ALA CB C 13 18.846 0.083 . 1 . . . . 75 ALA CB . 15136 1 319 . 1 1 75 75 ALA N N 15 123.551 0.039 . 1 . . . . 75 ALA N . 15136 1 320 . 1 1 76 76 LYS H H 1 8.13 0.003 . 1 . . . . 76 LYS H . 15136 1 321 . 1 1 76 76 LYS CA C 13 56.469 0.328 . 1 . . . . 76 LYS CA . 15136 1 322 . 1 1 76 76 LYS CB C 13 32.671 0.05 . 1 . . . . 76 LYS CB . 15136 1 323 . 1 1 76 76 LYS N N 15 119.291 0.04 . 1 . . . . 76 LYS N . 15136 1 324 . 1 1 80 80 LYS C C 13 176.266 0.05 . 1 . . . . 80 LYS C . 15136 1 325 . 1 1 80 80 LYS CA C 13 56.384 0.032 . 1 . . . . 80 LYS CA . 15136 1 326 . 1 1 80 80 LYS CB C 13 32.888 0.008 . 1 . . . . 80 LYS CB . 15136 1 327 . 1 1 81 81 GLN H H 1 8.412 0.002 . 1 . . . . 81 GLN H . 15136 1 328 . 1 1 81 81 GLN C C 13 175.69 0.05 . 1 . . . . 81 GLN C . 15136 1 329 . 1 1 81 81 GLN CA C 13 55.504 0.051 . 1 . . . . 81 GLN CA . 15136 1 330 . 1 1 81 81 GLN CB C 13 29.527 0.019 . 1 . . . . 81 GLN CB . 15136 1 331 . 1 1 81 81 GLN N N 15 121.51 0.06 . 1 . . . . 81 GLN N . 15136 1 332 . 1 1 82 82 LEU H H 1 8.426 0.008 . 1 . . . . 82 LEU H . 15136 1 333 . 1 1 82 82 LEU CA C 13 53.094 0.031 . 1 . . . . 82 LEU CA . 15136 1 334 . 1 1 82 82 LEU CB C 13 41.536 0.05 . 1 . . . . 82 LEU CB . 15136 1 335 . 1 1 82 82 LEU N N 15 125.452 0.032 . 1 . . . . 82 LEU N . 15136 1 336 . 1 1 83 83 PRO CA C 13 63.191 0.017 . 1 . . . . 83 PRO CA . 15136 1 337 . 1 1 83 83 PRO CB C 13 32.056 0.019 . 1 . . . . 83 PRO CB . 15136 1 338 . 1 1 84 84 SER H H 1 8.463 0.006 . 1 . . . . 84 SER H . 15136 1 339 . 1 1 84 84 SER C C 13 174.306 0.05 . 1 . . . . 84 SER C . 15136 1 340 . 1 1 84 84 SER CA C 13 58.222 0.054 . 1 . . . . 84 SER CA . 15136 1 341 . 1 1 84 84 SER CB C 13 63.758 0.037 . 1 . . . . 84 SER CB . 15136 1 342 . 1 1 84 84 SER N N 15 115.97 0.058 . 1 . . . . 84 SER N . 15136 1 343 . 1 1 85 85 ALA H H 1 8.468 0.003 . 1 . . . . 85 ALA H . 15136 1 344 . 1 1 85 85 ALA C C 13 177.718 0.05 . 1 . . . . 85 ALA C . 15136 1 345 . 1 1 85 85 ALA CA C 13 52.434 0.019 . 1 . . . . 85 ALA CA . 15136 1 346 . 1 1 85 85 ALA CB C 13 19.679 0.008 . 1 . . . . 85 ALA CB . 15136 1 347 . 1 1 85 85 ALA N N 15 126.338 0.031 . 1 . . . . 85 ALA N . 15136 1 348 . 1 1 86 86 GLY H H 1 8.281 0.001 . 1 . . . . 86 GLY H . 15136 1 349 . 1 1 86 86 GLY CA C 13 44.486 0.031 . 1 . . . . 86 GLY CA . 15136 1 350 . 1 1 86 86 GLY N N 15 108.402 0.034 . 1 . . . . 86 GLY N . 15136 1 351 . 1 1 87 87 PRO C C 13 176.812 0.05 . 1 . . . . 87 PRO C . 15136 1 352 . 1 1 87 87 PRO CA C 13 63.098 0.065 . 1 . . . . 87 PRO CA . 15136 1 353 . 1 1 87 87 PRO CB C 13 32.197 0.005 . 1 . . . . 87 PRO CB . 15136 1 354 . 1 1 88 88 ASP H H 1 8.507 0.002 . 1 . . . . 88 ASP H . 15136 1 355 . 1 1 88 88 ASP C C 13 176.68 0.05 . 1 . . . . 88 ASP C . 15136 1 356 . 1 1 88 88 ASP CA C 13 54.341 0.015 . 1 . . . . 88 ASP CA . 15136 1 357 . 1 1 88 88 ASP CB C 13 41.085 0.017 . 1 . . . . 88 ASP CB . 15136 1 358 . 1 1 88 88 ASP N N 15 120.527 0.031 . 1 . . . . 88 ASP N . 15136 1 359 . 1 1 89 89 LYS H H 1 8.385 0.004 . 1 . . . . 89 LYS H . 15136 1 360 . 1 1 89 89 LYS C C 13 176.416 0.05 . 1 . . . . 89 LYS C . 15136 1 361 . 1 1 89 89 LYS CA C 13 56.572 0.047 . 1 . . . . 89 LYS CA . 15136 1 362 . 1 1 89 89 LYS CB C 13 32.678 0.035 . 1 . . . . 89 LYS CB . 15136 1 363 . 1 1 89 89 LYS N N 15 122.515 0.03 . 1 . . . . 89 LYS N . 15136 1 364 . 1 1 90 90 ASN H H 1 8.561 0.002 . 1 . . . . 90 ASN H . 15136 1 365 . 1 1 90 90 ASN C C 13 175.123 0.05 . 1 . . . . 90 ASN C . 15136 1 366 . 1 1 90 90 ASN CA C 13 53.481 0.038 . 1 . . . . 90 ASN CA . 15136 1 367 . 1 1 90 90 ASN CB C 13 38.757 0.047 . 1 . . . . 90 ASN CB . 15136 1 368 . 1 1 90 90 ASN N N 15 118.972 0.025 . 1 . . . . 90 ASN N . 15136 1 369 . 1 1 91 91 LEU H H 1 8.121 0.001 . 1 . . . . 91 LEU H . 15136 1 370 . 1 1 91 91 LEU C C 13 177.265 0.05 . 1 . . . . 91 LEU C . 15136 1 371 . 1 1 91 91 LEU CA C 13 55.273 0.043 . 1 . . . . 91 LEU CA . 15136 1 372 . 1 1 91 91 LEU CB C 13 42.301 0.013 . 1 . . . . 91 LEU CB . 15136 1 373 . 1 1 91 91 LEU N N 15 122.311 0.025 . 1 . . . . 91 LEU N . 15136 1 374 . 1 1 92 92 VAL H H 1 8.25 0.003 . 1 . . . . 92 VAL H . 15136 1 375 . 1 1 92 92 VAL C C 13 176.427 0.05 . 1 . . . . 92 VAL C . 15136 1 376 . 1 1 92 92 VAL CA C 13 62.33 0.076 . 1 . . . . 92 VAL CA . 15136 1 377 . 1 1 92 92 VAL CB C 13 32.64 0.017 . 1 . . . . 92 VAL CB . 15136 1 378 . 1 1 92 92 VAL N N 15 121.733 0.037 . 1 . . . . 92 VAL N . 15136 1 379 . 1 1 93 93 THR H H 1 8.288 0.002 . 1 . . . . 93 THR H . 15136 1 380 . 1 1 93 93 THR C C 13 175.011 0.05 . 1 . . . . 93 THR C . 15136 1 381 . 1 1 93 93 THR CA C 13 61.706 0.089 . 1 . . . . 93 THR CA . 15136 1 382 . 1 1 93 93 THR CB C 13 69.947 0.052 . 1 . . . . 93 THR CB . 15136 1 383 . 1 1 93 93 THR N N 15 117.546 0.027 . 1 . . . . 93 THR N . 15136 1 384 . 1 1 94 94 GLY H H 1 8.418 0.003 . 1 . . . . 94 GLY H . 15136 1 385 . 1 1 94 94 GLY C C 13 173.811 0.05 . 1 . . . . 94 GLY C . 15136 1 386 . 1 1 94 94 GLY CA C 13 45.191 0.051 . 1 . . . . 94 GLY CA . 15136 1 387 . 1 1 94 94 GLY N N 15 110.9 0.037 . 1 . . . . 94 GLY N . 15136 1 388 . 1 1 95 95 ASP H H 1 8.308 0.001 . 1 . . . . 95 ASP H . 15136 1 389 . 1 1 95 95 ASP C C 13 175.849 0.05 . 1 . . . . 95 ASP C . 15136 1 390 . 1 1 95 95 ASP CA C 13 54.347 0.035 . 1 . . . . 95 ASP CA . 15136 1 391 . 1 1 95 95 ASP CB C 13 41.147 0.011 . 1 . . . . 95 ASP CB . 15136 1 392 . 1 1 95 95 ASP N N 15 120.261 0.051 . 1 . . . . 95 ASP N . 15136 1 393 . 1 1 96 96 HIS H H 1 8.349 0.002 . 1 . . . . 96 HIS H . 15136 1 394 . 1 1 96 96 HIS C C 13 174.892 0.05 . 1 . . . . 96 HIS C . 15136 1 395 . 1 1 96 96 HIS CA C 13 56.251 0.021 . 1 . . . . 96 HIS CA . 15136 1 396 . 1 1 96 96 HIS CB C 13 30.781 0.031 . 1 . . . . 96 HIS CB . 15136 1 397 . 1 1 96 96 HIS N N 15 119.689 0.027 . 1 . . . . 96 HIS N . 15136 1 398 . 1 1 97 97 ILE H H 1 8.135 0.002 . 1 . . . . 97 ILE H . 15136 1 399 . 1 1 97 97 ILE CA C 13 58.267 0.02 . 1 . . . . 97 ILE CA . 15136 1 400 . 1 1 97 97 ILE CB C 13 38.509 0.05 . 1 . . . . 97 ILE CB . 15136 1 401 . 1 1 97 97 ILE N N 15 125.639 0.045 . 1 . . . . 97 ILE N . 15136 1 402 . 1 1 98 98 PRO C C 13 176.68 0.05 . 1 . . . . 98 PRO C . 15136 1 403 . 1 1 98 98 PRO CA C 13 62.906 0.087 . 1 . . . . 98 PRO CA . 15136 1 404 . 1 1 98 98 PRO CB C 13 32.247 0.05 . 1 . . . . 98 PRO CB . 15136 1 405 . 1 1 99 99 THR H H 1 8.497 0.002 . 1 . . . . 99 THR H . 15136 1 406 . 1 1 99 99 THR CA C 13 59.924 0.064 . 1 . . . . 99 THR CA . 15136 1 407 . 1 1 99 99 THR CB C 13 69.716 0.05 . 1 . . . . 99 THR CB . 15136 1 408 . 1 1 99 99 THR N N 15 117.513 0.025 . 1 . . . . 99 THR N . 15136 1 409 . 1 1 100 100 PRO C C 13 177.04 0.05 . 1 . . . . 100 PRO C . 15136 1 410 . 1 1 100 100 PRO CA C 13 63.452 0.06 . 1 . . . . 100 PRO CA . 15136 1 411 . 1 1 100 100 PRO CB C 13 32.074 0.046 . 1 . . . . 100 PRO CB . 15136 1 412 . 1 1 101 101 GLN H H 1 8.487 0.002 . 1 . . . . 101 GLN H . 15136 1 413 . 1 1 101 101 GLN C C 13 175.647 0.05 . 1 . . . . 101 GLN C . 15136 1 414 . 1 1 101 101 GLN CA C 13 55.904 0.046 . 1 . . . . 101 GLN CA . 15136 1 415 . 1 1 101 101 GLN CB C 13 29.626 0.026 . 1 . . . . 101 GLN CB . 15136 1 416 . 1 1 101 101 GLN N N 15 119.958 0.034 . 1 . . . . 101 GLN N . 15136 1 417 . 1 1 102 102 ASP H H 1 8.344 0.001 . 5 . . . . 102 ASP H . 15136 1 418 . 1 1 102 102 ASP C C 13 175.766 0.05 . 5 . . . . 102 ASP C . 15136 1 419 . 1 1 102 102 ASP CA C 13 54.218 0.025 . 5 . . . . 102 ASP CA . 15136 1 420 . 1 1 102 102 ASP CB C 13 41.144 0.008 . 5 . . . . 102 ASP CB . 15136 1 421 . 1 1 102 102 ASP N N 15 121.355 0.034 . 5 . . . . 102 ASP N . 15136 1 422 . 1 1 103 103 LEU H H 1 8.177 0.002 . 1 . . . . 103 LEU H . 15136 1 423 . 1 1 103 103 LEU CA C 13 53.355 0.003 . 1 . . . . 103 LEU CA . 15136 1 424 . 1 1 103 103 LEU CB C 13 41.587 0.05 . 1 . . . . 103 LEU CB . 15136 1 425 . 1 1 103 103 LEU N N 15 123.516 0.049 . 1 . . . . 103 LEU N . 15136 1 426 . 1 1 104 104 PRO C C 13 177.035 0.05 . 1 . . . . 104 PRO C . 15136 1 427 . 1 1 104 104 PRO CA C 13 63.212 0.081 . 1 . . . . 104 PRO CA . 15136 1 428 . 1 1 104 104 PRO CB C 13 32.038 0.002 . 1 . . . . 104 PRO CB . 15136 1 429 . 1 1 105 105 GLN H H 1 8.55 0.003 . 1 . . . . 105 GLN H . 15136 1 430 . 1 1 105 105 GLN C C 13 176.148 0.05 . 1 . . . . 105 GLN C . 15136 1 431 . 1 1 105 105 GLN CA C 13 55.85 0.082 . 1 . . . . 105 GLN CA . 15136 1 432 . 1 1 105 105 GLN CB C 13 29.543 0.061 . 1 . . . . 105 GLN CB . 15136 1 433 . 1 1 105 105 GLN N N 15 120.462 0.022 . 1 . . . . 105 GLN N . 15136 1 434 . 1 1 106 106 ARG H H 1 8.468 0.004 . 1 . . . . 106 ARG H . 15136 1 435 . 1 1 106 106 ARG CA C 13 56.177 0.103 . 1 . . . . 106 ARG CA . 15136 1 436 . 1 1 106 106 ARG CB C 13 30.741 0.05 . 1 . . . . 106 ARG CB . 15136 1 437 . 1 1 106 106 ARG N N 15 122.931 0.031 . 1 . . . . 106 ARG N . 15136 1 438 . 1 1 107 107 LYS H H 1 8.586 0.006 . 1 . . . . 107 LYS H . 15136 1 439 . 1 1 107 107 LYS N N 15 123.644 0.054 . 1 . . . . 107 LYS N . 15136 1 440 . 1 1 109 109 SER C C 13 174.407 0.05 . 1 . . . . 109 SER C . 15136 1 441 . 1 1 109 109 SER CA C 13 58.428 0.059 . 1 . . . . 109 SER CA . 15136 1 442 . 1 1 109 109 SER CB C 13 63.66 0.017 . 1 . . . . 109 SER CB . 15136 1 443 . 1 1 110 110 LEU H H 1 8.286 0.002 . 1 . . . . 110 LEU H . 15136 1 444 . 1 1 110 110 LEU C C 13 177.426 0.05 . 1 . . . . 110 LEU C . 15136 1 445 . 1 1 110 110 LEU CA C 13 55.415 0.041 . 1 . . . . 110 LEU CA . 15136 1 446 . 1 1 110 110 LEU CB C 13 42.291 0.032 . 1 . . . . 110 LEU CB . 15136 1 447 . 1 1 110 110 LEU N N 15 124.014 0.028 . 1 . . . . 110 LEU N . 15136 1 448 . 1 1 111 111 VAL H H 1 8.217 0.003 . 1 . . . . 111 VAL H . 15136 1 449 . 1 1 111 111 VAL C C 13 176.473 0.05 . 1 . . . . 111 VAL C . 15136 1 450 . 1 1 111 111 VAL CA C 13 62.434 0.06 . 1 . . . . 111 VAL CA . 15136 1 451 . 1 1 111 111 VAL CB C 13 32.664 0.009 . 1 . . . . 111 VAL CB . 15136 1 452 . 1 1 111 111 VAL N N 15 121.731 0.043 . 1 . . . . 111 VAL N . 15136 1 453 . 1 1 112 112 THR H H 1 8.297 0.003 . 1 . . . . 112 THR H . 15136 1 454 . 1 1 112 112 THR C C 13 174.571 0.05 . 1 . . . . 112 THR C . 15136 1 455 . 1 1 112 112 THR CA C 13 61.768 0.087 . 1 . . . . 112 THR CA . 15136 1 456 . 1 1 112 112 THR CB C 13 69.739 0.061 . 1 . . . . 112 THR CB . 15136 1 457 . 1 1 112 112 THR N N 15 118.238 0.039 . 1 . . . . 112 THR N . 15136 1 458 . 1 1 113 113 SER H H 1 8.374 0.004 . 1 . . . . 113 SER H . 15136 1 459 . 1 1 113 113 SER CA C 13 58.35 0.013 . 1 . . . . 113 SER CA . 15136 1 460 . 1 1 113 113 SER CB C 13 63.783 0.05 . 1 . . . . 113 SER CB . 15136 1 461 . 1 1 113 113 SER N N 15 118.467 0.046 . 1 . . . . 113 SER N . 15136 1 462 . 1 1 114 114 LYS C C 13 176.635 0.05 . 1 . . . . 114 LYS C . 15136 1 463 . 1 1 114 114 LYS CA C 13 56.504 0.043 . 1 . . . . 114 LYS CA . 15136 1 464 . 1 1 114 114 LYS CB C 13 32.852 0.05 . 1 . . . . 114 LYS CB . 15136 1 465 . 1 1 115 115 LEU H H 1 8.269 0.001 . 1 . . . . 115 LEU H . 15136 1 466 . 1 1 115 115 LEU C C 13 177.291 0.05 . 1 . . . . 115 LEU C . 15136 1 467 . 1 1 115 115 LEU CA C 13 55.066 0.039 . 1 . . . . 115 LEU CA . 15136 1 468 . 1 1 115 115 LEU CB C 13 42.287 0.014 . 1 . . . . 115 LEU CB . 15136 1 469 . 1 1 115 115 LEU N N 15 123.123 0.025 . 1 . . . . 115 LEU N . 15136 1 470 . 1 1 116 116 ALA H H 1 8.377 0.002 . 1 . . . . 116 ALA H . 15136 1 471 . 1 1 116 116 ALA C C 13 178.248 0.05 . 1 . . . . 116 ALA C . 15136 1 472 . 1 1 116 116 ALA CA C 13 52.669 0.021 . 1 . . . . 116 ALA CA . 15136 1 473 . 1 1 116 116 ALA CB C 13 19.175 0.006 . 1 . . . . 116 ALA CB . 15136 1 474 . 1 1 116 116 ALA N N 15 125.135 0.026 . 1 . . . . 116 ALA N . 15136 1 475 . 1 1 117 117 GLY H H 1 8.448 0.003 . 1 . . . . 117 GLY H . 15136 1 476 . 1 1 117 117 GLY C C 13 174.828 0.05 . 1 . . . . 117 GLY C . 15136 1 477 . 1 1 117 117 GLY CA C 13 45.323 0.143 . 1 . . . . 117 GLY CA . 15136 1 478 . 1 1 117 117 GLY N N 15 108.385 0.037 . 1 . . . . 117 GLY N . 15136 1 479 . 1 1 118 118 GLY H H 1 8.332 0.002 . 1 . . . . 118 GLY H . 15136 1 480 . 1 1 118 118 GLY C C 13 173.841 0.05 . 1 . . . . 118 GLY C . 15136 1 481 . 1 1 118 118 GLY CA C 13 45.173 0.038 . 1 . . . . 118 GLY CA . 15136 1 482 . 1 1 118 118 GLY N N 15 108.71 0.019 . 1 . . . . 118 GLY N . 15136 1 483 . 1 1 119 119 GLN H H 1 8.31 0.003 . 1 . . . . 119 GLN H . 15136 1 484 . 1 1 119 119 GLN C C 13 175.813 0.05 . 1 . . . . 119 GLN C . 15136 1 485 . 1 1 119 119 GLN CA C 13 55.669 0.031 . 1 . . . . 119 GLN CA . 15136 1 486 . 1 1 119 119 GLN CB C 13 29.603 0.006 . 1 . . . . 119 GLN CB . 15136 1 487 . 1 1 119 119 GLN N N 15 120.065 0.033 . 1 . . . . 119 GLN N . 15136 1 488 . 1 1 120 120 VAL H H 1 8.347 0.002 . 1 . . . . 120 VAL H . 15136 1 489 . 1 1 120 120 VAL C C 13 175.343 0.05 . 1 . . . . 120 VAL C . 15136 1 490 . 1 1 120 120 VAL CA C 13 62.268 0.085 . 1 . . . . 120 VAL CA . 15136 1 491 . 1 1 120 120 VAL CB C 13 32.956 0.022 . 1 . . . . 120 VAL CB . 15136 1 492 . 1 1 120 120 VAL N N 15 121.921 0.023 . 1 . . . . 120 VAL N . 15136 1 493 . 1 1 121 121 GLU H H 1 8.142 0.002 . 1 . . . . 121 GLU H . 15136 1 494 . 1 1 121 121 GLU CA C 13 58.014 0.038 . 1 . . . . 121 GLU CA . 15136 1 495 . 1 1 121 121 GLU CB C 13 31.242 0.05 . 1 . . . . 121 GLU CB . 15136 1 496 . 1 1 121 121 GLU N N 15 129.697 0.016 . 1 . . . . 121 GLU N . 15136 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 9 15136 1 1 14 15136 1 2 10 15136 1 2 15 15136 1 3 11 15136 1 3 16 15136 1 4 12 15136 1 4 17 15136 1 5 13 15136 1 5 18 15136 1 6 70 15136 1 6 417 15136 1 7 71 15136 1 7 418 15136 1 8 72 15136 1 8 419 15136 1 9 73 15136 1 9 420 15136 1 10 74 15136 1 10 421 15136 1 stop_ save_