################################### # 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 30158 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 '3D 1H-15N NOESY' . . . 30158 1 2 '3D 1H-13C NOESY' . . . 30158 1 3 '4D HNHC NOESY' . . . 30158 1 4 '3D HNCACB' . . . 30158 1 5 '2D IPAP' . . . 30158 1 6 '2D IPAP' . . . 30158 1 7 '3D HNCACB' . . . 30158 1 8 '2D 1H-15N HSQC' . . . 30158 1 9 '2D 1H-15N HSQC' . . . 30158 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 THR CA C 13 62.161 0.014 . 1 . . . A 2 THR CA . 30158 1 2 . 1 1 2 2 THR CB C 13 69.403 0.014 . 1 . . . A 2 THR CB . 30158 1 3 . 1 1 3 3 VAL H H 1 9.018 0.002 . 1 . . . A 3 VAL H . 30158 1 4 . 1 1 3 3 VAL CA C 13 59.352 0.014 . 1 . . . A 3 VAL CA . 30158 1 5 . 1 1 3 3 VAL CB C 13 34.273 0.014 . 1 . . . A 3 VAL CB . 30158 1 6 . 1 1 3 3 VAL N N 15 123.487 0.015 . 1 . . . A 3 VAL N . 30158 1 7 . 1 1 4 4 LYS H H 1 8.378 0.002 . 1 . . . A 4 LYS H . 30158 1 8 . 1 1 4 4 LYS CA C 13 54.385 0.014 . 1 . . . A 4 LYS CA . 30158 1 9 . 1 1 4 4 LYS CB C 13 36.115 0.014 . 1 . . . A 4 LYS CB . 30158 1 10 . 1 1 4 4 LYS N N 15 119.976 0.015 . 1 . . . A 4 LYS N . 30158 1 11 . 1 1 5 5 GLN H H 1 8.902 0.002 . 1 . . . A 5 GLN H . 30158 1 12 . 1 1 5 5 GLN CA C 13 55.646 0.014 . 1 . . . A 5 GLN CA . 30158 1 13 . 1 1 5 5 GLN CB C 13 32.908 0.014 . 1 . . . A 5 GLN CB . 30158 1 14 . 1 1 5 5 GLN N N 15 121.697 0.015 . 1 . . . A 5 GLN N . 30158 1 15 . 1 1 6 6 THR H H 1 8.614 0.002 . 1 . . . A 6 THR H . 30158 1 16 . 1 1 6 6 THR CA C 13 61.750 0.014 . 1 . . . A 6 THR CA . 30158 1 17 . 1 1 6 6 THR CB C 13 69.407 0.014 . 1 . . . A 6 THR CB . 30158 1 18 . 1 1 6 6 THR N N 15 120.591 0.015 . 1 . . . A 6 THR N . 30158 1 19 . 1 1 7 7 VAL H H 1 9.221 0.002 . 1 . . . A 7 VAL H . 30158 1 20 . 1 1 7 7 VAL CA C 13 59.560 0.014 . 1 . . . A 7 VAL CA . 30158 1 21 . 1 1 7 7 VAL CB C 13 34.467 0.014 . 1 . . . A 7 VAL CB . 30158 1 22 . 1 1 7 7 VAL N N 15 124.340 0.015 . 1 . . . A 7 VAL N . 30158 1 23 . 1 1 8 8 GLU H H 1 8.429 0.002 . 1 . . . A 8 GLU H . 30158 1 24 . 1 1 8 8 GLU CA C 13 54.974 0.014 . 1 . . . A 8 GLU CA . 30158 1 25 . 1 1 8 8 GLU CB C 13 29.953 0.014 . 1 . . . A 8 GLU CB . 30158 1 26 . 1 1 8 8 GLU N N 15 125.266 0.015 . 1 . . . A 8 GLU N . 30158 1 27 . 1 1 9 9 ILE H H 1 8.517 0.002 . 1 . . . A 9 ILE H . 30158 1 28 . 1 1 9 9 ILE CA C 13 59.164 0.014 . 1 . . . A 9 ILE CA . 30158 1 29 . 1 1 9 9 ILE CB C 13 34.936 0.014 . 1 . . . A 9 ILE CB . 30158 1 30 . 1 1 9 9 ILE N N 15 126.151 0.015 . 1 . . . A 9 ILE N . 30158 1 31 . 1 1 10 10 THR H H 1 8.373 0.002 . 1 . . . A 10 THR H . 30158 1 32 . 1 1 10 10 THR CA C 13 61.229 0.014 . 1 . . . A 10 THR CA . 30158 1 33 . 1 1 10 10 THR CB C 13 69.817 0.014 . 1 . . . A 10 THR CB . 30158 1 34 . 1 1 10 10 THR N N 15 120.368 0.015 . 1 . . . A 10 THR N . 30158 1 35 . 1 1 12 12 LYS H H 1 8.306 0.002 . 1 . . . A 12 LYS H . 30158 1 36 . 1 1 12 12 LYS CA C 13 56.493 0.014 . 1 . . . A 12 LYS CA . 30158 1 37 . 1 1 12 12 LYS CB C 13 32.139 0.014 . 1 . . . A 12 LYS CB . 30158 1 38 . 1 1 12 12 LYS N N 15 121.989 0.015 . 1 . . . A 12 LYS N . 30158 1 39 . 1 1 13 13 LEU H H 1 8.203 0.002 . 1 . . . A 13 LEU H . 30158 1 40 . 1 1 13 13 LEU CA C 13 55.184 0.014 . 1 . . . A 13 LEU CA . 30158 1 41 . 1 1 13 13 LEU CB C 13 41.155 0.014 . 1 . . . A 13 LEU CB . 30158 1 42 . 1 1 13 13 LEU N N 15 122.653 0.015 . 1 . . . A 13 LEU N . 30158 1 43 . 1 1 14 14 GLY H H 1 8.327 0.002 . 1 . . . A 14 GLY H . 30158 1 44 . 1 1 14 14 GLY CA C 13 44.988 0.014 . 1 . . . A 14 GLY CA . 30158 1 45 . 1 1 14 14 GLY N N 15 109.100 0.015 . 1 . . . A 14 GLY N . 30158 1 46 . 1 1 17 17 ALA H H 1 8.022 0.002 . 1 . . . A 17 ALA H . 30158 1 47 . 1 1 17 17 ALA CA C 13 52.503 0.014 . 1 . . . A 17 ALA CA . 30158 1 48 . 1 1 17 17 ALA CB C 13 18.511 0.014 . 1 . . . A 17 ALA CB . 30158 1 49 . 1 1 17 17 ALA N N 15 124.179 0.015 . 1 . . . A 17 ALA N . 30158 1 50 . 1 1 19 19 PRO CA C 13 64.324 0.014 . 1 . . . A 19 PRO CA . 30158 1 51 . 1 1 19 19 PRO CB C 13 30.889 0.014 . 1 . . . A 19 PRO CB . 30158 1 52 . 1 1 20 20 ALA H H 1 8.416 0.002 . 1 . . . A 20 ALA H . 30158 1 53 . 1 1 20 20 ALA CA C 13 54.292 0.014 . 1 . . . A 20 ALA CA . 30158 1 54 . 1 1 20 20 ALA CB C 13 18.185 0.014 . 1 . . . A 20 ALA CB . 30158 1 55 . 1 1 20 20 ALA N N 15 120.844 0.015 . 1 . . . A 20 ALA N . 30158 1 56 . 1 1 21 21 MET H H 1 7.955 0.002 . 1 . . . A 21 MET H . 30158 1 57 . 1 1 21 21 MET CA C 13 56.668 0.014 . 1 . . . A 21 MET CA . 30158 1 58 . 1 1 21 21 MET CB C 13 31.372 0.014 . 1 . . . A 21 MET CB . 30158 1 59 . 1 1 21 21 MET N N 15 115.970 0.015 . 1 . . . A 21 MET N . 30158 1 60 . 1 1 22 22 LYS H H 1 7.918 0.002 . 1 . . . A 22 LYS H . 30158 1 61 . 1 1 22 22 LYS CA C 13 56.695 0.014 . 1 . . . A 22 LYS CA . 30158 1 62 . 1 1 22 22 LYS CB C 13 31.396 0.014 . 1 . . . A 22 LYS CB . 30158 1 63 . 1 1 22 22 LYS N N 15 119.807 0.015 . 1 . . . A 22 LYS N . 30158 1 64 . 1 1 23 23 LEU H H 1 7.955 0.002 . 1 . . . A 23 LEU H . 30158 1 65 . 1 1 23 23 LEU CA C 13 58.099 0.014 . 1 . . . A 23 LEU CA . 30158 1 66 . 1 1 23 23 LEU CB C 13 40.815 0.014 . 1 . . . A 23 LEU CB . 30158 1 67 . 1 1 23 23 LEU N N 15 121.451 0.015 . 1 . . . A 23 LEU N . 30158 1 68 . 1 1 24 24 PHE H H 1 8.171 0.002 . 1 . . . A 24 PHE H . 30158 1 69 . 1 1 24 24 PHE CA C 13 60.128 0.014 . 1 . . . A 24 PHE CA . 30158 1 70 . 1 1 24 24 PHE CB C 13 37.554 0.014 . 1 . . . A 24 PHE CB . 30158 1 71 . 1 1 24 24 PHE N N 15 118.458 0.015 . 1 . . . A 24 PHE N . 30158 1 72 . 1 1 25 25 GLU H H 1 8.178 0.002 . 1 . . . A 25 GLU H . 30158 1 73 . 1 1 25 25 GLU CA C 13 58.643 0.014 . 1 . . . A 25 GLU CA . 30158 1 74 . 1 1 25 25 GLU CB C 13 28.941 0.014 . 1 . . . A 25 GLU CB . 30158 1 75 . 1 1 25 25 GLU N N 15 119.660 0.015 . 1 . . . A 25 GLU N . 30158 1 76 . 1 1 26 26 LEU H H 1 8.114 0.002 . 1 . . . A 26 LEU H . 30158 1 77 . 1 1 26 26 LEU CA C 13 57.335 0.014 . 1 . . . A 26 LEU CA . 30158 1 78 . 1 1 26 26 LEU CB C 13 41.720 0.014 . 1 . . . A 26 LEU CB . 30158 1 79 . 1 1 26 26 LEU N N 15 121.473 0.015 . 1 . . . A 26 LEU N . 30158 1 80 . 1 1 27 27 MET H H 1 8.135 0.002 . 1 . . . A 27 MET H . 30158 1 81 . 1 1 27 27 MET CA C 13 56.402 0.014 . 1 . . . A 27 MET CA . 30158 1 82 . 1 1 27 27 MET CB C 13 30.939 0.014 . 1 . . . A 27 MET CB . 30158 1 83 . 1 1 27 27 MET N N 15 115.505 0.015 . 1 . . . A 27 MET N . 30158 1 84 . 1 1 28 28 GLN H H 1 7.487 0.002 . 1 . . . A 28 GLN H . 30158 1 85 . 1 1 28 28 GLN CA C 13 56.800 0.014 . 1 . . . A 28 GLN CA . 30158 1 86 . 1 1 28 28 GLN CB C 13 27.872 0.014 . 1 . . . A 28 GLN CB . 30158 1 87 . 1 1 28 28 GLN N N 15 117.512 0.015 . 1 . . . A 28 GLN N . 30158 1 88 . 1 1 29 29 GLY H H 1 7.572 0.002 . 1 . . . A 29 GLY H . 30158 1 89 . 1 1 29 29 GLY CA C 13 44.625 0.014 . 1 . . . A 29 GLY CA . 30158 1 90 . 1 1 29 29 GLY N N 15 104.808 0.015 . 1 . . . A 29 GLY N . 30158 1 91 . 1 1 30 30 PHE H H 1 7.454 0.002 . 1 . . . A 30 PHE H . 30158 1 92 . 1 1 30 30 PHE CA C 13 56.294 0.014 . 1 . . . A 30 PHE CA . 30158 1 93 . 1 1 30 30 PHE CB C 13 42.538 0.014 . 1 . . . A 30 PHE CB . 30158 1 94 . 1 1 30 30 PHE N N 15 116.651 0.015 . 1 . . . A 30 PHE N . 30158 1 95 . 1 1 31 31 ASP H H 1 9.329 0.002 . 1 . . . A 31 ASP H . 30158 1 96 . 1 1 31 31 ASP CA C 13 51.724 0.014 . 1 . . . A 31 ASP CA . 30158 1 97 . 1 1 31 31 ASP CB C 13 37.969 0.014 . 1 . . . A 31 ASP CB . 30158 1 98 . 1 1 31 31 ASP N N 15 123.518 0.015 . 1 . . . A 31 ASP N . 30158 1 99 . 1 1 32 32 ALA H H 1 7.707 0.002 . 1 . . . A 32 ALA H . 30158 1 100 . 1 1 32 32 ALA CA C 13 51.478 0.014 . 1 . . . A 32 ALA CA . 30158 1 101 . 1 1 32 32 ALA CB C 13 19.403 0.014 . 1 . . . A 32 ALA CB . 30158 1 102 . 1 1 32 32 ALA N N 15 122.258 0.015 . 1 . . . A 32 ALA N . 30158 1 103 . 1 1 33 33 GLU H H 1 8.682 0.002 . 1 . . . A 33 GLU H . 30158 1 104 . 1 1 33 33 GLU CA C 13 54.831 0.014 . 1 . . . A 33 GLU CA . 30158 1 105 . 1 1 33 33 GLU CB C 13 30.708 0.014 . 1 . . . A 33 GLU CB . 30158 1 106 . 1 1 33 33 GLU N N 15 121.492 0.015 . 1 . . . A 33 GLU N . 30158 1 107 . 1 1 34 34 VAL H H 1 8.800 0.002 . 1 . . . A 34 VAL H . 30158 1 108 . 1 1 34 34 VAL CA C 13 60.460 0.014 . 1 . . . A 34 VAL CA . 30158 1 109 . 1 1 34 34 VAL CB C 13 33.092 0.014 . 1 . . . A 34 VAL CB . 30158 1 110 . 1 1 34 34 VAL N N 15 126.157 0.015 . 1 . . . A 34 VAL N . 30158 1 111 . 1 1 35 35 LEU H H 1 9.501 0.002 . 1 . . . A 35 LEU H . 30158 1 112 . 1 1 35 35 LEU CA C 13 52.995 0.014 . 1 . . . A 35 LEU CA . 30158 1 113 . 1 1 35 35 LEU CB C 13 45.031 0.014 . 1 . . . A 35 LEU CB . 30158 1 114 . 1 1 35 35 LEU N N 15 129.980 0.015 . 1 . . . A 35 LEU N . 30158 1 115 . 1 1 36 36 LEU H H 1 8.857 0.002 . 1 . . . A 36 LEU H . 30158 1 116 . 1 1 36 36 LEU CA C 13 52.759 0.014 . 1 . . . A 36 LEU CA . 30158 1 117 . 1 1 36 36 LEU CB C 13 43.459 0.014 . 1 . . . A 36 LEU CB . 30158 1 118 . 1 1 36 36 LEU N N 15 120.995 0.015 . 1 . . . A 36 LEU N . 30158 1 119 . 1 1 37 37 ARG H H 1 9.124 0.002 . 1 . . . A 37 ARG H . 30158 1 120 . 1 1 37 37 ARG CA C 13 53.994 0.014 . 1 . . . A 37 ARG CA . 30158 1 121 . 1 1 37 37 ARG CB C 13 33.341 0.014 . 1 . . . A 37 ARG CB . 30158 1 122 . 1 1 37 37 ARG N N 15 121.580 0.015 . 1 . . . A 37 ARG N . 30158 1 123 . 1 1 38 38 ASN H H 1 8.313 0.002 . 1 . . . A 38 ASN H . 30158 1 124 . 1 1 38 38 ASN CA C 13 50.516 0.014 . 1 . . . A 38 ASN CA . 30158 1 125 . 1 1 38 38 ASN CB C 13 38.995 0.014 . 1 . . . A 38 ASN CB . 30158 1 126 . 1 1 38 38 ASN N N 15 122.614 0.015 . 1 . . . A 38 ASN N . 30158 1 127 . 1 1 39 39 ASP H H 1 8.862 0.002 . 1 . . . A 39 ASP H . 30158 1 128 . 1 1 39 39 ASP CA C 13 55.619 0.014 . 1 . . . A 39 ASP CA . 30158 1 129 . 1 1 39 39 ASP CB C 13 39.502 0.014 . 1 . . . A 39 ASP CB . 30158 1 130 . 1 1 39 39 ASP N N 15 118.727 0.015 . 1 . . . A 39 ASP N . 30158 1 131 . 1 1 40 40 GLU H H 1 7.613 0.002 . 1 . . . A 40 GLU H . 30158 1 132 . 1 1 40 40 GLU CA C 13 55.701 0.014 . 1 . . . A 40 GLU CA . 30158 1 133 . 1 1 40 40 GLU CB C 13 29.285 0.014 . 1 . . . A 40 GLU CB . 30158 1 134 . 1 1 40 40 GLU N N 15 118.481 0.015 . 1 . . . A 40 GLU N . 30158 1 135 . 1 1 41 41 GLY H H 1 8.160 0.002 . 1 . . . A 41 GLY H . 30158 1 136 . 1 1 41 41 GLY CA C 13 44.657 0.014 . 1 . . . A 41 GLY CA . 30158 1 137 . 1 1 41 41 GLY N N 15 108.414 0.015 . 1 . . . A 41 GLY N . 30158 1 138 . 1 1 42 42 THR H H 1 7.991 0.002 . 1 . . . A 42 THR H . 30158 1 139 . 1 1 42 42 THR CA C 13 62.904 0.014 . 1 . . . A 42 THR CA . 30158 1 140 . 1 1 42 42 THR CB C 13 67.905 0.014 . 1 . . . A 42 THR CB . 30158 1 141 . 1 1 42 42 THR N N 15 121.019 0.015 . 1 . . . A 42 THR N . 30158 1 142 . 1 1 43 43 GLU H H 1 8.470 0.002 . 1 . . . A 43 GLU H . 30158 1 143 . 1 1 43 43 GLU CA C 13 54.115 0.014 . 1 . . . A 43 GLU CA . 30158 1 144 . 1 1 43 43 GLU CB C 13 32.099 0.014 . 1 . . . A 43 GLU CB . 30158 1 145 . 1 1 43 43 GLU N N 15 125.605 0.015 . 1 . . . A 43 GLU N . 30158 1 146 . 1 1 44 44 ALA H H 1 9.081 0.002 . 1 . . . A 44 ALA H . 30158 1 147 . 1 1 44 44 ALA CA C 13 50.717 0.014 . 1 . . . A 44 ALA CA . 30158 1 148 . 1 1 44 44 ALA CB C 13 21.788 0.014 . 1 . . . A 44 ALA CB . 30158 1 149 . 1 1 44 44 ALA N N 15 124.760 0.015 . 1 . . . A 44 ALA N . 30158 1 150 . 1 1 45 45 GLU H H 1 8.846 0.002 . 1 . . . A 45 GLU H . 30158 1 151 . 1 1 45 45 GLU CA C 13 56.359 0.014 . 1 . . . A 45 GLU CA . 30158 1 152 . 1 1 45 45 GLU CB C 13 29.300 0.014 . 1 . . . A 45 GLU CB . 30158 1 153 . 1 1 45 45 GLU N N 15 122.679 0.015 . 1 . . . A 45 GLU N . 30158 1 154 . 1 1 46 46 ALA H H 1 8.751 0.002 . 1 . . . A 46 ALA H . 30158 1 155 . 1 1 46 46 ALA CA C 13 54.352 0.014 . 1 . . . A 46 ALA CA . 30158 1 156 . 1 1 46 46 ALA CB C 13 17.965 0.014 . 1 . . . A 46 ALA CB . 30158 1 157 . 1 1 46 46 ALA N N 15 124.772 0.015 . 1 . . . A 46 ALA N . 30158 1 158 . 1 1 47 47 ASN CB C 13 37.173 0.014 . 1 . . . A 47 ASN CB . 30158 1 159 . 1 1 48 48 SER H H 1 7.844 0.002 . 1 . . . A 48 SER H . 30158 1 160 . 1 1 48 48 SER CA C 13 57.180 0.014 . 1 . . . A 48 SER CA . 30158 1 161 . 1 1 48 48 SER CB C 13 65.610 0.014 . 1 . . . A 48 SER CB . 30158 1 162 . 1 1 48 48 SER N N 15 115.069 0.015 . 1 . . . A 48 SER N . 30158 1 163 . 1 1 49 49 VAL CA C 13 65.325 0.014 . 1 . . . A 49 VAL CA . 30158 1 164 . 1 1 49 49 VAL CB C 13 30.742 0.014 . 1 . . . A 49 VAL CB . 30158 1 165 . 1 1 50 50 ILE H H 1 7.815 0.002 . 1 . . . A 50 ILE H . 30158 1 166 . 1 1 50 50 ILE CA C 13 63.170 0.014 . 1 . . . A 50 ILE CA . 30158 1 167 . 1 1 50 50 ILE CB C 13 36.201 0.014 . 1 . . . A 50 ILE CB . 30158 1 168 . 1 1 50 50 ILE N N 15 119.243 0.015 . 1 . . . A 50 ILE N . 30158 1 169 . 1 1 51 51 ALA H H 1 7.721 0.002 . 1 . . . A 51 ALA H . 30158 1 170 . 1 1 51 51 ALA CA C 13 54.797 0.014 . 1 . . . A 51 ALA CA . 30158 1 171 . 1 1 51 51 ALA CB C 13 18.076 0.014 . 1 . . . A 51 ALA CB . 30158 1 172 . 1 1 51 51 ALA N N 15 123.032 0.015 . 1 . . . A 51 ALA N . 30158 1 173 . 1 1 52 52 LEU H H 1 7.414 0.002 . 1 . . . A 52 LEU H . 30158 1 174 . 1 1 52 52 LEU CA C 13 57.354 0.014 . 1 . . . A 52 LEU CA . 30158 1 175 . 1 1 52 52 LEU CB C 13 40.288 0.014 . 1 . . . A 52 LEU CB . 30158 1 176 . 1 1 52 52 LEU N N 15 116.604 0.015 . 1 . . . A 52 LEU N . 30158 1 177 . 1 1 53 53 LEU H H 1 7.708 0.002 . 1 . . . A 53 LEU H . 30158 1 178 . 1 1 53 53 LEU CA C 13 57.030 0.014 . 1 . . . A 53 LEU CA . 30158 1 179 . 1 1 53 53 LEU CB C 13 40.391 0.014 . 1 . . . A 53 LEU CB . 30158 1 180 . 1 1 53 53 LEU N N 15 119.609 0.015 . 1 . . . A 53 LEU N . 30158 1 181 . 1 1 55 55 LEU H H 1 7.973 0.002 . 1 . . . A 55 LEU H . 30158 1 182 . 1 1 55 55 LEU CA C 13 56.616 0.014 . 1 . . . A 55 LEU CA . 30158 1 183 . 1 1 55 55 LEU CB C 13 40.786 0.014 . 1 . . . A 55 LEU CB . 30158 1 184 . 1 1 55 55 LEU N N 15 119.700 0.015 . 1 . . . A 55 LEU N . 30158 1 185 . 1 1 56 56 ASP H H 1 7.945 0.002 . 1 . . . A 56 ASP H . 30158 1 186 . 1 1 56 56 ASP CA C 13 56.319 0.014 . 1 . . . A 56 ASP CA . 30158 1 187 . 1 1 56 56 ASP CB C 13 40.813 0.014 . 1 . . . A 56 ASP CB . 30158 1 188 . 1 1 56 56 ASP N N 15 119.809 0.015 . 1 . . . A 56 ASP N . 30158 1 189 . 1 1 57 57 SER H H 1 7.799 0.002 . 1 . . . A 57 SER H . 30158 1 190 . 1 1 57 57 SER CA C 13 58.694 0.014 . 1 . . . A 57 SER CA . 30158 1 191 . 1 1 57 57 SER CB C 13 63.577 0.014 . 1 . . . A 57 SER CB . 30158 1 192 . 1 1 57 57 SER N N 15 113.686 0.015 . 1 . . . A 57 SER N . 30158 1 193 . 1 1 58 58 ALA H H 1 7.747 0.002 . 1 . . . A 58 ALA H . 30158 1 194 . 1 1 58 58 ALA CA C 13 52.058 0.014 . 1 . . . A 58 ALA CA . 30158 1 195 . 1 1 58 58 ALA CB C 13 18.489 0.014 . 1 . . . A 58 ALA CB . 30158 1 196 . 1 1 58 58 ALA N N 15 124.442 0.015 . 1 . . . A 58 ALA N . 30158 1 197 . 1 1 59 59 LYS H H 1 7.581 0.002 . 1 . . . A 59 LYS H . 30158 1 198 . 1 1 59 59 LYS CA C 13 57.734 0.014 . 1 . . . A 59 LYS CA . 30158 1 199 . 1 1 59 59 LYS CB C 13 31.397 0.014 . 1 . . . A 59 LYS CB . 30158 1 200 . 1 1 59 59 LYS N N 15 118.716 0.015 . 1 . . . A 59 LYS N . 30158 1 201 . 1 1 60 60 GLY H H 1 8.685 0.002 . 1 . . . A 60 GLY H . 30158 1 202 . 1 1 60 60 GLY CA C 13 45.137 0.014 . 1 . . . A 60 GLY CA . 30158 1 203 . 1 1 60 60 GLY N N 15 112.851 0.015 . 1 . . . A 60 GLY N . 30158 1 204 . 1 1 61 61 ARG H H 1 8.487 0.002 . 1 . . . A 61 ARG H . 30158 1 205 . 1 1 61 61 ARG CA C 13 54.540 0.014 . 1 . . . A 61 ARG CA . 30158 1 206 . 1 1 61 61 ARG CB C 13 30.845 0.014 . 1 . . . A 61 ARG CB . 30158 1 207 . 1 1 61 61 ARG N N 15 120.986 0.015 . 1 . . . A 61 ARG N . 30158 1 208 . 1 1 62 62 GLN H H 1 8.234 0.002 . 1 . . . A 62 GLN H . 30158 1 209 . 1 1 62 62 GLN CA C 13 54.509 0.014 . 1 . . . A 62 GLN CA . 30158 1 210 . 1 1 62 62 GLN CB C 13 30.329 0.014 . 1 . . . A 62 GLN CB . 30158 1 211 . 1 1 62 62 GLN N N 15 117.974 0.015 . 1 . . . A 62 GLN N . 30158 1 212 . 1 1 63 63 ILE H H 1 8.878 0.002 . 1 . . . A 63 ILE H . 30158 1 213 . 1 1 63 63 ILE CA C 13 58.184 0.014 . 1 . . . A 63 ILE CA . 30158 1 214 . 1 1 63 63 ILE CB C 13 40.564 0.014 . 1 . . . A 63 ILE CB . 30158 1 215 . 1 1 63 63 ILE N N 15 122.196 0.015 . 1 . . . A 63 ILE N . 30158 1 216 . 1 1 64 64 GLU H H 1 8.917 0.002 . 1 . . . A 64 GLU H . 30158 1 217 . 1 1 64 64 GLU CA C 13 54.915 0.014 . 1 . . . A 64 GLU CA . 30158 1 218 . 1 1 64 64 GLU CB C 13 31.643 0.014 . 1 . . . A 64 GLU CB . 30158 1 219 . 1 1 64 64 GLU N N 15 125.699 0.015 . 1 . . . A 64 GLU N . 30158 1 220 . 1 1 65 65 VAL H H 1 8.785 0.002 . 1 . . . A 65 VAL H . 30158 1 221 . 1 1 65 65 VAL CA C 13 60.268 0.014 . 1 . . . A 65 VAL CA . 30158 1 222 . 1 1 65 65 VAL CB C 13 31.990 0.014 . 1 . . . A 65 VAL CB . 30158 1 223 . 1 1 65 65 VAL N N 15 126.472 0.015 . 1 . . . A 65 VAL N . 30158 1 224 . 1 1 66 66 GLU H H 1 9.056 0.002 . 1 . . . A 66 GLU H . 30158 1 225 . 1 1 66 66 GLU CA C 13 53.614 0.014 . 1 . . . A 66 GLU CA . 30158 1 226 . 1 1 66 66 GLU CB C 13 33.108 0.014 . 1 . . . A 66 GLU CB . 30158 1 227 . 1 1 66 66 GLU N N 15 127.117 0.015 . 1 . . . A 66 GLU N . 30158 1 228 . 1 1 67 67 ALA H H 1 9.270 0.002 . 1 . . . A 67 ALA H . 30158 1 229 . 1 1 67 67 ALA CA C 13 49.674 0.014 . 1 . . . A 67 ALA CA . 30158 1 230 . 1 1 67 67 ALA CB C 13 23.334 0.014 . 1 . . . A 67 ALA CB . 30158 1 231 . 1 1 67 67 ALA N N 15 128.055 0.015 . 1 . . . A 67 ALA N . 30158 1 232 . 1 1 68 68 THR H H 1 8.726 0.002 . 1 . . . A 68 THR H . 30158 1 233 . 1 1 68 68 THR CA C 13 60.881 0.014 . 1 . . . A 68 THR CA . 30158 1 234 . 1 1 68 68 THR CB C 13 71.547 0.014 . 1 . . . A 68 THR CB . 30158 1 235 . 1 1 68 68 THR N N 15 116.747 0.015 . 1 . . . A 68 THR N . 30158 1 236 . 1 1 69 69 GLY H H 1 10.209 0.002 . 1 . . . A 69 GLY H . 30158 1 237 . 1 1 69 69 GLY CA C 13 44.483 0.014 . 1 . . . A 69 GLY CA . 30158 1 238 . 1 1 69 69 GLY N N 15 119.759 0.015 . 1 . . . A 69 GLY N . 30158 1 239 . 1 1 70 70 PRO CA C 13 65.575 0.014 . 1 . . . A 70 PRO CA . 30158 1 240 . 1 1 70 70 PRO CB C 13 32.171 0.014 . 1 . . . A 70 PRO CB . 30158 1 241 . 1 1 71 71 GLN H H 1 8.259 0.002 . 1 . . . A 71 GLN H . 30158 1 242 . 1 1 71 71 GLN CA C 13 53.852 0.014 . 1 . . . A 71 GLN CA . 30158 1 243 . 1 1 71 71 GLN CB C 13 28.249 0.014 . 1 . . . A 71 GLN CB . 30158 1 244 . 1 1 71 71 GLN N N 15 112.781 0.015 . 1 . . . A 71 GLN N . 30158 1 245 . 1 1 72 72 GLU H H 1 7.836 0.002 . 1 . . . A 72 GLU H . 30158 1 246 . 1 1 72 72 GLU CA C 13 59.192 0.014 . 1 . . . A 72 GLU CA . 30158 1 247 . 1 1 72 72 GLU CB C 13 26.178 0.014 . 1 . . . A 72 GLU CB . 30158 1 248 . 1 1 72 72 GLU N N 15 118.571 0.015 . 1 . . . A 72 GLU N . 30158 1 249 . 1 1 73 73 GLU H H 1 8.434 0.002 . 1 . . . A 73 GLU H . 30158 1 250 . 1 1 73 73 GLU CA C 13 60.153 0.014 . 1 . . . A 73 GLU CA . 30158 1 251 . 1 1 73 73 GLU CB C 13 28.359 0.014 . 1 . . . A 73 GLU CB . 30158 1 252 . 1 1 73 73 GLU N N 15 119.926 0.015 . 1 . . . A 73 GLU N . 30158 1 253 . 1 1 74 74 GLU H H 1 8.954 0.002 . 1 . . . A 74 GLU H . 30158 1 254 . 1 1 74 74 GLU CA C 13 59.001 0.014 . 1 . . . A 74 GLU CA . 30158 1 255 . 1 1 74 74 GLU CB C 13 28.558 0.014 . 1 . . . A 74 GLU CB . 30158 1 256 . 1 1 74 74 GLU N N 15 122.035 0.015 . 1 . . . A 74 GLU N . 30158 1 257 . 1 1 75 75 ALA H H 1 8.259 0.002 . 1 . . . A 75 ALA H . 30158 1 258 . 1 1 75 75 ALA CA C 13 53.739 0.014 . 1 . . . A 75 ALA CA . 30158 1 259 . 1 1 75 75 ALA CB C 13 17.619 0.014 . 1 . . . A 75 ALA CB . 30158 1 260 . 1 1 75 75 ALA N N 15 123.098 0.015 . 1 . . . A 75 ALA N . 30158 1 261 . 1 1 76 76 LEU H H 1 7.801 0.002 . 1 . . . A 76 LEU H . 30158 1 262 . 1 1 76 76 LEU CA C 13 58.029 0.014 . 1 . . . A 76 LEU CA . 30158 1 263 . 1 1 76 76 LEU CB C 13 40.701 0.014 . 1 . . . A 76 LEU CB . 30158 1 264 . 1 1 76 76 LEU N N 15 117.245 0.015 . 1 . . . A 76 LEU N . 30158 1 265 . 1 1 77 77 ALA H H 1 7.463 0.002 . 1 . . . A 77 ALA H . 30158 1 266 . 1 1 77 77 ALA CA C 13 54.468 0.014 . 1 . . . A 77 ALA CA . 30158 1 267 . 1 1 77 77 ALA CB C 13 17.266 0.014 . 1 . . . A 77 ALA CB . 30158 1 268 . 1 1 77 77 ALA N N 15 117.861 0.015 . 1 . . . A 77 ALA N . 30158 1 269 . 1 1 78 78 ALA H H 1 7.653 0.002 . 1 . . . A 78 ALA H . 30158 1 270 . 1 1 78 78 ALA CA C 13 54.336 0.014 . 1 . . . A 78 ALA CA . 30158 1 271 . 1 1 78 78 ALA CB C 13 18.295 0.014 . 1 . . . A 78 ALA CB . 30158 1 272 . 1 1 78 78 ALA N N 15 121.025 0.015 . 1 . . . A 78 ALA N . 30158 1 273 . 1 1 79 79 VAL H H 1 8.066 0.002 . 1 . . . A 79 VAL H . 30158 1 274 . 1 1 79 79 VAL CA C 13 66.028 0.014 . 1 . . . A 79 VAL CA . 30158 1 275 . 1 1 79 79 VAL CB C 13 30.534 0.014 . 1 . . . A 79 VAL CB . 30158 1 276 . 1 1 79 79 VAL N N 15 120.568 0.015 . 1 . . . A 79 VAL N . 30158 1 277 . 1 1 80 80 ILE H H 1 8.316 0.002 . 1 . . . A 80 ILE H . 30158 1 278 . 1 1 80 80 ILE CA C 13 63.992 0.014 . 1 . . . A 80 ILE CA . 30158 1 279 . 1 1 80 80 ILE CB C 13 35.591 0.014 . 1 . . . A 80 ILE CB . 30158 1 280 . 1 1 80 80 ILE N N 15 119.228 0.015 . 1 . . . A 80 ILE N . 30158 1 281 . 1 1 81 81 ALA H H 1 7.763 0.002 . 1 . . . A 81 ALA H . 30158 1 282 . 1 1 81 81 ALA CA C 13 54.290 0.014 . 1 . . . A 81 ALA CA . 30158 1 283 . 1 1 81 81 ALA CB C 13 17.316 0.014 . 1 . . . A 81 ALA CB . 30158 1 284 . 1 1 81 81 ALA N N 15 120.606 0.015 . 1 . . . A 81 ALA N . 30158 1 285 . 1 1 82 82 LEU H H 1 7.625 0.002 . 1 . . . A 82 LEU H . 30158 1 286 . 1 1 82 82 LEU CA C 13 57.107 0.014 . 1 . . . A 82 LEU CA . 30158 1 287 . 1 1 82 82 LEU CB C 13 40.333 0.014 . 1 . . . A 82 LEU CB . 30158 1 288 . 1 1 82 82 LEU N N 15 120.202 0.015 . 1 . . . A 82 LEU N . 30158 1 289 . 1 1 83 83 PHE H H 1 7.884 0.002 . 1 . . . A 83 PHE H . 30158 1 290 . 1 1 83 83 PHE CA C 13 58.239 0.014 . 1 . . . A 83 PHE CA . 30158 1 291 . 1 1 83 83 PHE CB C 13 38.063 0.014 . 1 . . . A 83 PHE CB . 30158 1 292 . 1 1 83 83 PHE N N 15 116.834 0.015 . 1 . . . A 83 PHE N . 30158 1 293 . 1 1 84 84 ASN H H 1 8.008 0.002 . 1 . . . A 84 ASN H . 30158 1 294 . 1 1 84 84 ASN CA C 13 52.979 0.014 . 1 . . . A 84 ASN CA . 30158 1 295 . 1 1 84 84 ASN CB C 13 39.249 0.014 . 1 . . . A 84 ASN CB . 30158 1 296 . 1 1 84 84 ASN N N 15 118.665 0.015 . 1 . . . A 84 ASN N . 30158 1 297 . 1 1 85 85 SER H H 1 7.692 0.002 . 1 . . . A 85 SER H . 30158 1 298 . 1 1 85 85 SER CA C 13 60.374 0.014 . 1 . . . A 85 SER CA . 30158 1 299 . 1 1 85 85 SER CB C 13 65.063 0.014 . 1 . . . A 85 SER CB . 30158 1 300 . 1 1 85 85 SER N N 15 121.968 0.015 . 1 . . . A 85 SER N . 30158 1 stop_ save_