################################### # 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 50119 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50119 1 2 '3D HNCACB' . . . 50119 1 3 '3D CBCA(CO)NH' . . . 50119 1 4 '3D HNCA' . . . 50119 1 5 '3D HN(CO)CA' . . . 50119 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLN C C 13 178.462 0.000 . 1 . . . . . 1 GLN C . 50119 1 2 . 1 . 1 1 1 GLN CA C 13 59.914 0.000 . 1 . . . . . 1 GLN CA . 50119 1 3 . 1 . 1 1 1 GLN CB C 13 27.811 0.000 . 1 . . . . . 1 GLN CB . 50119 1 4 . 1 . 1 2 2 GLY C C 13 174.139 0.000 . 1 . . . . . 2 GLY C . 50119 1 5 . 1 . 1 2 2 GLY CA C 13 45.082 0.000 . 1 . . . . . 2 GLY CA . 50119 1 6 . 1 . 1 3 3 GLN H H 1 8.561 0.000 . 1 . . . . . 3 GLN H . 50119 1 7 . 1 . 1 3 3 GLN C C 13 176.231 0.000 . 1 . . . . . 3 GLN C . 50119 1 8 . 1 . 1 3 3 GLN CA C 13 55.935 0.000 . 1 . . . . . 3 GLN CA . 50119 1 9 . 1 . 1 3 3 GLN CB C 13 29.209 0.000 . 1 . . . . . 3 GLN CB . 50119 1 10 . 1 . 1 3 3 GLN N N 15 120.636 0.000 . 1 . . . . . 3 GLN N . 50119 1 11 . 1 . 1 4 4 GLU H H 1 8.732 0.000 . 1 . . . . . 4 GLU H . 50119 1 12 . 1 . 1 4 4 GLU C C 13 176.639 0.000 . 1 . . . . . 4 GLU C . 50119 1 13 . 1 . 1 4 4 GLU CA C 13 56.782 0.000 . 1 . . . . . 4 GLU CA . 50119 1 14 . 1 . 1 4 4 GLU CB C 13 30.180 0.000 . 1 . . . . . 4 GLU CB . 50119 1 15 . 1 . 1 4 4 GLU N N 15 122.702 0.000 . 1 . . . . . 4 GLU N . 50119 1 16 . 1 . 1 5 5 THR H H 1 8.251 0.000 . 1 . . . . . 5 THR H . 50119 1 17 . 1 . 1 5 5 THR C C 13 174.172 0.000 . 1 . . . . . 5 THR C . 50119 1 18 . 1 . 1 5 5 THR CA C 13 62.009 0.000 . 1 . . . . . 5 THR CA . 50119 1 19 . 1 . 1 5 5 THR CB C 13 70.270 0.000 . 1 . . . . . 5 THR CB . 50119 1 20 . 1 . 1 5 5 THR N N 15 115.677 0.000 . 1 . . . . . 5 THR N . 50119 1 21 . 1 . 1 6 6 ALA H H 1 8.376 0.000 . 1 . . . . . 6 ALA H . 50119 1 22 . 1 . 1 6 6 ALA C C 13 177.406 0.000 . 1 . . . . . 6 ALA C . 50119 1 23 . 1 . 1 6 6 ALA CA C 13 52.430 0.000 . 1 . . . . . 6 ALA CA . 50119 1 24 . 1 . 1 6 6 ALA CB C 13 19.275 0.000 . 1 . . . . . 6 ALA CB . 50119 1 25 . 1 . 1 6 6 ALA N N 15 127.261 0.000 . 1 . . . . . 6 ALA N . 50119 1 26 . 1 . 1 7 7 VAL H H 1 8.154 0.000 . 1 . . . . . 7 VAL H . 50119 1 27 . 1 . 1 7 7 VAL C C 13 175.621 0.000 . 1 . . . . . 7 VAL C . 50119 1 28 . 1 . 1 7 7 VAL CA C 13 62.079 0.000 . 1 . . . . . 7 VAL CA . 50119 1 29 . 1 . 1 7 7 VAL CB C 13 32.771 0.000 . 1 . . . . . 7 VAL CB . 50119 1 30 . 1 . 1 7 7 VAL N N 15 119.978 0.000 . 1 . . . . . 7 VAL N . 50119 1 31 . 1 . 1 8 8 ALA H H 1 8.437 0.000 . 1 . . . . . 8 ALA H . 50119 1 32 . 1 . 1 8 8 ALA C C 13 173.007 0.000 . 1 . . . . . 8 ALA C . 50119 1 33 . 1 . 1 8 8 ALA CA C 13 50.519 0.000 . 1 . . . . . 8 ALA CA . 50119 1 34 . 1 . 1 8 8 ALA CB C 13 18.190 0.000 . 1 . . . . . 8 ALA CB . 50119 1 35 . 1 . 1 8 8 ALA N N 15 129.729 0.000 . 1 . . . . . 8 ALA N . 50119 1 36 . 1 . 1 9 9 PRO C C 13 177.008 0.000 . 1 . . . . . 9 PRO C . 50119 1 37 . 1 . 1 9 9 PRO CA C 13 63.414 0.000 . 1 . . . . . 9 PRO CA . 50119 1 38 . 1 . 1 9 9 PRO CB C 13 32.051 0.000 . 1 . . . . . 9 PRO CB . 50119 1 39 . 1 . 1 10 10 SER H H 1 8.366 0.000 . 1 . . . . . 10 SER H . 50119 1 40 . 1 . 1 10 10 SER C C 13 173.653 0.000 . 1 . . . . . 10 SER C . 50119 1 41 . 1 . 1 10 10 SER CA C 13 58.260 0.000 . 1 . . . . . 10 SER CA . 50119 1 42 . 1 . 1 10 10 SER CB C 13 63.887 0.000 . 1 . . . . . 10 SER CB . 50119 1 43 . 1 . 1 10 10 SER N N 15 115.543 0.000 . 1 . . . . . 10 SER N . 50119 1 44 . 1 . 1 11 11 LEU H H 1 8.348 0.000 . 1 . . . . . 11 LEU H . 50119 1 45 . 1 . 1 11 11 LEU C C 13 177.090 0.000 . 1 . . . . . 11 LEU C . 50119 1 46 . 1 . 1 11 11 LEU CA C 13 55.171 0.000 . 1 . . . . . 11 LEU CA . 50119 1 47 . 1 . 1 11 11 LEU CB C 13 42.415 0.000 . 1 . . . . . 11 LEU CB . 50119 1 48 . 1 . 1 11 11 LEU N N 15 124.519 0.000 . 1 . . . . . 11 LEU N . 50119 1 49 . 1 . 1 12 12 VAL H H 1 8.044 0.000 . 1 . . . . . 12 VAL H . 50119 1 50 . 1 . 1 12 12 VAL C C 13 175.451 0.000 . 1 . . . . . 12 VAL C . 50119 1 51 . 1 . 1 12 12 VAL CA C 13 62.150 0.000 . 1 . . . . . 12 VAL CA . 50119 1 52 . 1 . 1 12 12 VAL CB C 13 32.448 0.000 . 1 . . . . . 12 VAL CB . 50119 1 53 . 1 . 1 12 12 VAL N N 15 120.980 0.000 . 1 . . . . . 12 VAL N . 50119 1 54 . 1 . 1 13 13 ALA H H 1 8.383 0.000 . 1 . . . . . 13 ALA H . 50119 1 55 . 1 . 1 13 13 ALA C C 13 172.862 0.000 . 1 . . . . . 13 ALA C . 50119 1 56 . 1 . 1 13 13 ALA CA C 13 50.474 0.000 . 1 . . . . . 13 ALA CA . 50119 1 57 . 1 . 1 13 13 ALA CB C 13 18.190 0.000 . 1 . . . . . 13 ALA CB . 50119 1 58 . 1 . 1 13 13 ALA N N 15 129.634 0.000 . 1 . . . . . 13 ALA N . 50119 1 59 . 1 . 1 14 14 PRO C C 13 176.721 0.000 . 1 . . . . . 14 PRO C . 50119 1 60 . 1 . 1 14 14 PRO CA C 13 63.338 0.000 . 1 . . . . . 14 PRO CA . 50119 1 61 . 1 . 1 14 14 PRO CB C 13 32.018 0.000 . 1 . . . . . 14 PRO CB . 50119 1 62 . 1 . 1 15 15 ALA H H 1 8.383 0.000 . 1 . . . . . 15 ALA H . 50119 1 63 . 1 . 1 15 15 ALA C C 13 177.760 0.000 . 1 . . . . . 15 ALA C . 50119 1 64 . 1 . 1 15 15 ALA CA C 13 52.371 0.000 . 1 . . . . . 15 ALA CA . 50119 1 65 . 1 . 1 15 15 ALA CB C 13 19.069 0.000 . 1 . . . . . 15 ALA CB . 50119 1 66 . 1 . 1 15 15 ALA N N 15 123.927 0.000 . 1 . . . . . 15 ALA N . 50119 1 67 . 1 . 1 16 16 LEU H H 1 8.238 0.000 . 1 . . . . . 16 LEU H . 50119 1 68 . 1 . 1 16 16 LEU C C 13 177.087 0.000 . 1 . . . . . 16 LEU C . 50119 1 69 . 1 . 1 16 16 LEU CA C 13 54.955 0.000 . 1 . . . . . 16 LEU CA . 50119 1 70 . 1 . 1 16 16 LEU CB C 13 42.329 0.000 . 1 . . . . . 16 LEU CB . 50119 1 71 . 1 . 1 16 16 LEU N N 15 121.315 0.000 . 1 . . . . . 16 LEU N . 50119 1 72 . 1 . 1 17 17 ASN N N 15 119.448 0.000 . 1 . . . . . 17 ASN H . 50119 1 73 . 1 . 1 17 17 ASN C C 13 174.635 0.000 . 1 . . . . . 17 ASN C . 50119 1 74 . 1 . 1 17 17 ASN CA C 13 52.964 0.000 . 1 . . . . . 17 ASN CA . 50119 1 75 . 1 . 1 17 17 ASN CB C 13 38.822 0.000 . 1 . . . . . 17 ASN CB . 50119 1 76 . 1 . 1 18 18 LYS H H 1 8.212 0.000 . 1 . . . . . 18 LYS H . 50119 1 77 . 1 . 1 18 18 LYS C C 13 174.281 0.000 . 1 . . . . . 18 LYS C . 50119 1 78 . 1 . 1 18 18 LYS CA C 13 54.404 0.000 . 1 . . . . . 18 LYS CA . 50119 1 79 . 1 . 1 18 18 LYS CB C 13 32.445 0.000 . 1 . . . . . 18 LYS CB . 50119 1 80 . 1 . 1 18 18 LYS N N 15 122.882 0.000 . 1 . . . . . 18 LYS N . 50119 1 81 . 1 . 1 19 19 PRO C C 13 176.859 0.000 . 1 . . . . . 19 PRO C . 50119 1 82 . 1 . 1 19 19 PRO CA C 13 63.224 0.000 . 1 . . . . . 19 PRO CA . 50119 1 83 . 1 . 1 19 19 PRO CB C 13 32.205 0.000 . 1 . . . . . 19 PRO CB . 50119 1 84 . 1 . 1 20 20 LYS H H 1 8.524 0.000 . 1 . . . . . 20 LYS H . 50119 1 85 . 1 . 1 20 20 LYS C C 13 176.508 0.000 . 1 . . . . . 20 LYS C . 50119 1 86 . 1 . 1 20 20 LYS CA C 13 56.340 0.000 . 1 . . . . . 20 LYS CA . 50119 1 87 . 1 . 1 20 20 LYS CB C 13 33.041 0.000 . 1 . . . . . 20 LYS CB . 50119 1 88 . 1 . 1 20 20 LYS N N 15 122.377 0.000 . 1 . . . . . 20 LYS N . 50119 1 89 . 1 . 1 21 21 LYS H H 1 8.352 0.000 . 1 . . . . . 21 LYS H . 50119 1 90 . 1 . 1 21 21 LYS C C 13 174.401 0.000 . 1 . . . . . 21 LYS C . 50119 1 91 . 1 . 1 21 21 LYS CA C 13 54.327 0.000 . 1 . . . . . 21 LYS CA . 50119 1 92 . 1 . 1 21 21 LYS CB C 13 32.731 0.000 . 1 . . . . . 21 LYS CB . 50119 1 93 . 1 . 1 21 21 LYS N N 15 123.954 0.000 . 1 . . . . . 21 LYS N . 50119 1 94 . 1 . 1 22 22 PRO C C 13 176.846 0.000 . 1 . . . . . 22 PRO C . 50119 1 95 . 1 . 1 22 22 PRO CA C 13 63.062 0.000 . 1 . . . . . 22 PRO CA . 50119 1 96 . 1 . 1 22 22 PRO CB C 13 32.043 0.000 . 1 . . . . . 22 PRO CB . 50119 1 97 . 1 . 1 23 23 LEU H H 1 8.509 0.000 . 1 . . . . . 23 LEU H . 50119 1 98 . 1 . 1 23 23 LEU C C 13 177.837 0.000 . 1 . . . . . 23 LEU C . 50119 1 99 . 1 . 1 23 23 LEU CA C 13 55.220 0.000 . 1 . . . . . 23 LEU CA . 50119 1 100 . 1 . 1 23 23 LEU CB C 13 42.361 0.000 . 1 . . . . . 23 LEU CB . 50119 1 101 . 1 . 1 23 23 LEU N N 15 122.913 0.000 . 1 . . . . . 23 LEU N . 50119 1 102 . 1 . 1 24 24 THR H H 1 8.177 0.000 . 1 . . . . . 24 THR H . 50119 1 103 . 1 . 1 24 24 THR C C 13 174.528 0.000 . 1 . . . . . 24 THR C . 50119 1 104 . 1 . 1 24 24 THR CA C 13 61.623 0.000 . 1 . . . . . 24 THR CA . 50119 1 105 . 1 . 1 24 24 THR CB C 13 70.311 0.000 . 1 . . . . . 24 THR CB . 50119 1 106 . 1 . 1 24 24 THR N N 15 114.587 0.000 . 1 . . . . . 24 THR N . 50119 1 107 . 1 . 1 25 25 SER H H 1 8.420 0.000 . 1 . . . . . 25 SER H . 50119 1 108 . 1 . 1 25 25 SER C C 13 174.718 0.000 . 1 . . . . . 25 SER C . 50119 1 109 . 1 . 1 25 25 SER CA C 13 58.231 0.000 . 1 . . . . . 25 SER CA . 50119 1 110 . 1 . 1 25 25 SER CB C 13 64.097 0.000 . 1 . . . . . 25 SER CB . 50119 1 111 . 1 . 1 25 25 SER N N 15 117.984 0.000 . 1 . . . . . 25 SER N . 50119 1 112 . 1 . 1 26 26 SER H H 1 8.491 0.000 . 1 . . . . . 26 SER H . 50119 1 113 . 1 . 1 26 26 SER C C 13 174.625 0.000 . 1 . . . . . 26 SER C . 50119 1 114 . 1 . 1 26 26 SER CA C 13 58.527 0.000 . 1 . . . . . 26 SER CA . 50119 1 115 . 1 . 1 26 26 SER CB C 13 64.034 0.000 . 1 . . . . . 26 SER CB . 50119 1 116 . 1 . 1 26 26 SER N N 15 118.153 0.000 . 1 . . . . . 26 SER N . 50119 1 117 . 1 . 1 27 27 SER H H 1 8.384 0.000 . 1 . . . . . 27 SER H . 50119 1 118 . 1 . 1 27 27 SER C C 13 174.060 0.000 . 1 . . . . . 27 SER C . 50119 1 119 . 1 . 1 27 27 SER CB C 13 64.113 0.000 . 1 . . . . . 27 SER CB . 50119 1 120 . 1 . 1 27 27 SER N N 15 117.984 0.000 . 1 . . . . . 27 SER N . 50119 1 121 . 1 . 1 28 28 ALA H H 1 8.265 0.000 . 1 . . . . . 28 ALA H . 50119 1 122 . 1 . 1 28 28 ALA CA C 13 52.319 0.000 . 1 . . . . . 28 ALA CA . 50119 1 123 . 1 . 1 28 28 ALA CB C 13 19.287 0.000 . 1 . . . . . 28 ALA CB . 50119 1 124 . 1 . 1 28 28 ALA N N 15 125.996 0.000 . 1 . . . . . 28 ALA N . 50119 1 125 . 1 . 1 29 29 ALA H H 1 8.261 0.000 . 1 . . . . . 29 ALA H . 50119 1 126 . 1 . 1 29 29 ALA C C 13 175.515 0.000 . 1 . . . . . 29 ALA C . 50119 1 127 . 1 . 1 29 29 ALA CA C 13 50.498 0.000 . 1 . . . . . 29 ALA CA . 50119 1 128 . 1 . 1 29 29 ALA CB C 13 18.100 0.000 . 1 . . . . . 29 ALA CB . 50119 1 129 . 1 . 1 29 29 ALA N N 15 125.007 0.000 . 1 . . . . . 29 ALA N . 50119 1 130 . 1 . 1 30 30 PRO C C 13 176.942 0.000 . 1 . . . . . 30 PRO C . 50119 1 131 . 1 . 1 30 30 PRO CA C 13 63.151 0.000 . 1 . . . . . 30 PRO CA . 50119 1 132 . 1 . 1 30 30 PRO CB C 13 32.010 0.000 . 1 . . . . . 30 PRO CB . 50119 1 133 . 1 . 1 31 31 GLN H H 1 8.546 0.000 . 1 . . . . . 31 GLN H . 50119 1 134 . 1 . 1 31 31 GLN C C 13 175.845 0.000 . 1 . . . . . 31 GLN C . 50119 1 135 . 1 . 1 31 31 GLN CA C 13 55.609 0.000 . 1 . . . . . 31 GLN CA . 50119 1 136 . 1 . 1 31 31 GLN CB C 13 29.547 0.000 . 1 . . . . . 31 GLN CB . 50119 1 137 . 1 . 1 31 31 GLN N N 15 120.984 0.000 . 1 . . . . . 31 GLN N . 50119 1 138 . 1 . 1 32 32 ARG H H 1 8.431 0.000 . 1 . . . . . 32 ARG H . 50119 1 139 . 1 . 1 32 32 ARG C C 13 174.153 0.000 . 1 . . . . . 32 ARG C . 50119 1 140 . 1 . 1 32 32 ARG CA C 13 56.055 0.000 . 1 . . . . . 32 ARG CA . 50119 1 141 . 1 . 1 32 32 ARG CB C 13 30.058 0.000 . 1 . . . . . 32 ARG CB . 50119 1 142 . 1 . 1 32 32 ARG N N 15 123.755 0.000 . 1 . . . . . 32 ARG N . 50119 1 143 . 1 . 1 33 33 PRO C C 13 176.840 0.000 . 1 . . . . . 33 PRO C . 50119 1 144 . 1 . 1 33 33 PRO CA C 13 63.128 0.000 . 1 . . . . . 33 PRO CA . 50119 1 145 . 1 . 1 33 33 PRO CB C 13 31.965 0.000 . 1 . . . . . 33 PRO CB . 50119 1 146 . 1 . 1 34 34 ILE H H 1 8.371 0.000 . 1 . . . . . 34 ILE H . 50119 1 147 . 1 . 1 34 34 ILE C C 13 176.597 0.000 . 1 . . . . . 34 ILE C . 50119 1 148 . 1 . 1 34 34 ILE CA C 13 61.423 0.000 . 1 . . . . . 34 ILE CA . 50119 1 149 . 1 . 1 34 34 ILE CB C 13 38.851 0.000 . 1 . . . . . 34 ILE CB . 50119 1 150 . 1 . 1 34 34 ILE N N 15 121.522 0.000 . 1 . . . . . 34 ILE N . 50119 1 151 . 1 . 1 35 35 SER H H 1 8.463 0.000 . 1 . . . . . 35 SER H . 50119 1 152 . 1 . 1 35 35 SER C C 13 174.904 0.000 . 1 . . . . . 35 SER C . 50119 1 153 . 1 . 1 35 35 SER CA C 13 58.119 0.000 . 1 . . . . . 35 SER CA . 50119 1 154 . 1 . 1 35 35 SER CB C 13 64.032 0.000 . 1 . . . . . 35 SER CB . 50119 1 155 . 1 . 1 35 35 SER N N 15 119.691 0.000 . 1 . . . . . 35 SER N . 50119 1 156 . 1 . 1 36 36 THR H H 1 8.282 0.000 . 1 . . . . . 36 THR H . 50119 1 157 . 1 . 1 36 36 THR C C 13 174.573 0.000 . 1 . . . . . 36 THR C . 50119 1 158 . 1 . 1 36 36 THR CA C 13 62.178 0.000 . 1 . . . . . 36 THR CA . 50119 1 159 . 1 . 1 36 36 THR CB C 13 69.949 0.000 . 1 . . . . . 36 THR CB . 50119 1 160 . 1 . 1 36 36 THR N N 15 116.259 0.000 . 1 . . . . . 36 THR N . 50119 1 161 . 1 . 1 37 37 GLN H H 1 8.392 0.000 . 1 . . . . . 37 GLN H . 50119 1 162 . 1 . 1 37 37 GLN C C 13 175.949 0.000 . 1 . . . . . 37 GLN C . 50119 1 163 . 1 . 1 37 37 GLN CA C 13 56.100 0.000 . 1 . . . . . 37 GLN CA . 50119 1 164 . 1 . 1 37 37 GLN CB C 13 29.373 0.000 . 1 . . . . . 37 GLN CB . 50119 1 165 . 1 . 1 37 37 GLN N N 15 122.780 0.000 . 1 . . . . . 37 GLN N . 50119 1 166 . 1 . 1 38 38 ARG H H 1 8.732 0.000 . 1 . . . . . 38 ARG H . 50119 1 167 . 1 . 1 38 38 ARG C C 13 176.649 0.000 . 1 . . . . . 38 ARG C . 50119 1 168 . 1 . 1 38 38 ARG CA C 13 56.764 0.000 . 1 . . . . . 38 ARG CA . 50119 1 169 . 1 . 1 38 38 ARG CB C 13 30.151 0.000 . 1 . . . . . 38 ARG CB . 50119 1 170 . 1 . 1 38 38 ARG N N 15 122.641 0.000 . 1 . . . . . 38 ARG N . 50119 1 171 . 1 . 1 39 39 THR H H 1 8.245 0.000 . 1 . . . . . 39 THR H . 50119 1 172 . 1 . 1 39 39 THR C C 13 174.164 0.000 . 1 . . . . . 39 THR C . 50119 1 173 . 1 . 1 39 39 THR CA C 13 62.025 0.000 . 1 . . . . . 39 THR CA . 50119 1 174 . 1 . 1 39 39 THR CB C 13 70.192 0.000 . 1 . . . . . 39 THR CB . 50119 1 175 . 1 . 1 39 39 THR N N 15 116.003 0.000 . 1 . . . . . 39 THR N . 50119 1 176 . 1 . 1 40 40 ALA H H 1 8.396 0.000 . 1 . . . . . 40 ALA H . 50119 1 177 . 1 . 1 40 40 ALA C C 13 177.174 0.000 . 1 . . . . . 40 ALA C . 50119 1 178 . 1 . 1 40 40 ALA CA C 13 52.439 0.000 . 1 . . . . . 40 ALA CA . 50119 1 179 . 1 . 1 40 40 ALA CB C 13 19.278 0.000 . 1 . . . . . 40 ALA CB . 50119 1 180 . 1 . 1 40 40 ALA N N 15 126.918 0.000 . 1 . . . . . 40 ALA N . 50119 1 181 . 1 . 1 41 41 ALA H H 1 8.278 0.000 . 1 . . . . . 41 ALA H . 50119 1 182 . 1 . 1 41 41 ALA C C 13 177.069 0.000 . 1 . . . . . 41 ALA C . 50119 1 183 . 1 . 1 41 41 ALA CA C 13 52.130 0.000 . 1 . . . . . 41 ALA CA . 50119 1 184 . 1 . 1 41 41 ALA CB C 13 19.260 0.000 . 1 . . . . . 41 ALA CB . 50119 1 185 . 1 . 1 41 41 ALA N N 15 123.771 0.000 . 1 . . . . . 41 ALA N . 50119 1 186 . 1 . 1 42 42 ALA H H 1 8.301 0.000 . 1 . . . . . 42 ALA H . 50119 1 187 . 1 . 1 42 42 ALA C C 13 176.278 0.000 . 1 . . . . . 42 ALA C . 50119 1 188 . 1 . 1 42 42 ALA CA C 13 50.514 0.000 . 1 . . . . . 42 ALA CA . 50119 1 189 . 1 . 1 42 42 ALA CB C 13 18.190 0.000 . 1 . . . . . 42 ALA CB . 50119 1 190 . 1 . 1 42 42 ALA N N 15 125.165 0.000 . 1 . . . . . 42 ALA N . 50119 1 191 . 1 . 1 43 43 PRO C C 13 176.929 0.000 . 1 . . . . . 43 PRO C . 50119 1 192 . 1 . 1 43 43 PRO CA C 13 63.063 0.000 . 1 . . . . . 43 PRO CA . 50119 1 193 . 1 . 1 43 43 PRO CB C 13 32.026 0.000 . 1 . . . . . 43 PRO CB . 50119 1 194 . 1 . 1 44 44 LYS H H 1 8.463 0.000 . 1 . . . . . 44 LYS H . 50119 1 195 . 1 . 1 44 44 LYS C C 13 176.231 0.000 . 1 . . . . . 44 LYS C . 50119 1 196 . 1 . 1 44 44 LYS CA C 13 56.428 0.000 . 1 . . . . . 44 LYS CA . 50119 1 197 . 1 . 1 44 44 LYS CB C 13 32.978 0.000 . 1 . . . . . 44 LYS CB . 50119 1 198 . 1 . 1 44 44 LYS N N 15 121.949 0.000 . 1 . . . . . 44 LYS N . 50119 1 199 . 1 . 1 45 45 ALA H H 1 8.375 0.000 . 1 . . . . . 45 ALA H . 50119 1 200 . 1 . 1 45 45 ALA C C 13 177.667 0.000 . 1 . . . . . 45 ALA C . 50119 1 201 . 1 . 1 45 45 ALA CA C 13 52.321 0.000 . 1 . . . . . 45 ALA CA . 50119 1 202 . 1 . 1 45 45 ALA CB C 13 19.845 0.000 . 1 . . . . . 45 ALA CB . 50119 1 203 . 1 . 1 45 45 ALA N N 15 125.566 0.000 . 1 . . . . . 45 ALA N . 50119 1 204 . 1 . 1 46 46 GLY H H 1 8.278 0.000 . 1 . . . . . 46 GLY H . 50119 1 205 . 1 . 1 46 46 GLY C C 13 171.898 0.000 . 1 . . . . . 46 GLY C . 50119 1 206 . 1 . 1 46 46 GLY CA C 13 44.609 0.000 . 1 . . . . . 46 GLY CA . 50119 1 207 . 1 . 1 46 46 GLY N N 15 108.671 0.000 . 1 . . . . . 46 GLY N . 50119 1 208 . 1 . 1 47 47 PRO C C 13 177.824 0.000 . 1 . . . . . 47 PRO C . 50119 1 209 . 1 . 1 47 47 PRO CA C 13 63.733 0.000 . 1 . . . . . 47 PRO CA . 50119 1 210 . 1 . 1 47 47 PRO CB C 13 32.084 0.000 . 1 . . . . . 47 PRO CB . 50119 1 211 . 1 . 1 48 48 GLY H H 1 8.579 0.000 . 1 . . . . . 48 GLY H . 50119 1 212 . 1 . 1 48 48 GLY C C 13 173.995 0.000 . 1 . . . . . 48 GLY C . 50119 1 213 . 1 . 1 48 48 GLY CA C 13 45.275 0.000 . 1 . . . . . 48 GLY CA . 50119 1 214 . 1 . 1 48 48 GLY N N 15 109.548 0.000 . 1 . . . . . 48 GLY N . 50119 1 215 . 1 . 1 49 49 VAL H H 1 7.945 0.000 . 1 . . . . . 49 VAL H . 50119 1 216 . 1 . 1 49 49 VAL C C 13 176.125 0.000 . 1 . . . . . 49 VAL C . 50119 1 217 . 1 . 1 49 49 VAL CA C 13 62.503 0.000 . 1 . . . . . 49 VAL CA . 50119 1 218 . 1 . 1 49 49 VAL CB C 13 32.691 0.000 . 1 . . . . . 49 VAL CB . 50119 1 219 . 1 . 1 49 49 VAL N N 15 120.048 0.000 . 1 . . . . . 49 VAL N . 50119 1 220 . 1 . 1 50 50 VAL H H 1 8.327 0.000 . 1 . . . . . 50 VAL H . 50119 1 221 . 1 . 1 50 50 VAL C C 13 175.935 0.000 . 1 . . . . . 50 VAL C . 50119 1 222 . 1 . 1 50 50 VAL CA C 13 62.482 0.000 . 1 . . . . . 50 VAL CA . 50119 1 223 . 1 . 1 50 50 VAL CB C 13 32.646 0.000 . 1 . . . . . 50 VAL CB . 50119 1 224 . 1 . 1 50 50 VAL N N 15 125.370 0.000 . 1 . . . . . 50 VAL N . 50119 1 225 . 1 . 1 51 51 ARG H H 1 8.509 0.000 . 1 . . . . . 51 ARG H . 50119 1 226 . 1 . 1 51 51 ARG C C 13 175.882 0.000 . 1 . . . . . 51 ARG C . 50119 1 227 . 1 . 1 51 51 ARG CA C 13 55.561 0.000 . 1 . . . . . 51 ARG CA . 50119 1 228 . 1 . 1 51 51 ARG CB C 13 30.983 0.000 . 1 . . . . . 51 ARG CB . 50119 1 229 . 1 . 1 51 51 ARG N N 15 126.316 0.000 . 1 . . . . . 51 ARG N . 50119 1 230 . 1 . 1 52 52 LYS H H 1 8.507 0.000 . 1 . . . . . 52 LYS H . 50119 1 231 . 1 . 1 52 52 LYS C C 13 176.010 0.000 . 1 . . . . . 52 LYS C . 50119 1 232 . 1 . 1 52 52 LYS CA C 13 56.533 0.000 . 1 . . . . . 52 LYS CA . 50119 1 233 . 1 . 1 52 52 LYS CB C 13 33.127 0.000 . 1 . . . . . 52 LYS CB . 50119 1 234 . 1 . 1 52 52 LYS N N 15 123.742 0.000 . 1 . . . . . 52 LYS N . 50119 1 235 . 1 . 1 53 53 ASN N N 15 121.370 0.000 . 1 . . . . . 53 ASN H . 50119 1 236 . 1 . 1 53 53 ASN C C 13 173.349 0.000 . 1 . . . . . 53 ASN C . 50119 1 237 . 1 . 1 53 53 ASN CA C 13 51.442 0.000 . 1 . . . . . 53 ASN CA . 50119 1 238 . 1 . 1 53 53 ASN CB C 13 38.829 0.000 . 1 . . . . . 53 ASN CB . 50119 1 239 . 1 . 1 54 54 PRO C C 13 177.398 0.000 . 1 . . . . . 54 PRO C . 50119 1 240 . 1 . 1 54 54 PRO CA C 13 63.827 0.000 . 1 . . . . . 54 PRO CA . 50119 1 241 . 1 . 1 54 54 PRO CB C 13 32.098 0.000 . 1 . . . . . 54 PRO CB . 50119 1 242 . 1 . 1 55 55 GLY H H 1 8.493 0.000 . 1 . . . . . 55 GLY H . 50119 1 243 . 1 . 1 55 55 GLY C C 13 174.143 0.000 . 1 . . . . . 55 GLY C . 50119 1 244 . 1 . 1 55 55 GLY CA C 13 45.171 0.000 . 1 . . . . . 55 GLY CA . 50119 1 245 . 1 . 1 55 55 GLY N N 15 109.125 0.000 . 1 . . . . . 55 GLY N . 50119 1 246 . 1 . 1 56 56 VAL H H 1 8.030 0.000 . 1 . . . . . 56 VAL H . 50119 1 247 . 1 . 1 56 56 VAL C C 13 176.781 0.000 . 1 . . . . . 56 VAL C . 50119 1 248 . 1 . 1 56 56 VAL CA C 13 62.502 0.000 . 1 . . . . . 56 VAL CA . 50119 1 249 . 1 . 1 56 56 VAL CB C 13 32.684 0.000 . 1 . . . . . 56 VAL CB . 50119 1 250 . 1 . 1 56 56 VAL N N 15 118.972 0.000 . 1 . . . . . 56 VAL N . 50119 1 251 . 1 . 1 57 57 GLY H H 1 8.629 0.000 . 1 . . . . . 57 GLY H . 50119 1 252 . 1 . 1 57 57 GLY C C 13 174.107 0.000 . 1 . . . . . 57 GLY C . 50119 1 253 . 1 . 1 57 57 GLY CA C 13 45.171 0.000 . 1 . . . . . 57 GLY CA . 50119 1 254 . 1 . 1 57 57 GLY N N 15 112.616 0.000 . 1 . . . . . 57 GLY N . 50119 1 255 . 1 . 1 58 58 ASN H H 1 8.502 0.000 . 1 . . . . . 58 ASN H . 50119 1 256 . 1 . 1 58 58 ASN C C 13 175.798 0.000 . 1 . . . . . 58 ASN C . 50119 1 257 . 1 . 1 58 58 ASN CA C 13 53.131 0.000 . 1 . . . . . 58 ASN CA . 50119 1 258 . 1 . 1 58 58 ASN CB C 13 39.120 0.000 . 1 . . . . . 58 ASN CB . 50119 1 259 . 1 . 1 58 58 ASN N N 15 118.990 0.000 . 1 . . . . . 58 ASN N . 50119 1 260 . 1 . 1 59 59 GLY H H 1 8.571 0.000 . 1 . . . . . 59 GLY H . 50119 1 261 . 1 . 1 59 59 GLY C C 13 173.961 0.000 . 1 . . . . . 59 GLY C . 50119 1 262 . 1 . 1 59 59 GLY CA C 13 45.417 0.000 . 1 . . . . . 59 GLY CA . 50119 1 263 . 1 . 1 59 59 GLY N N 15 109.642 0.000 . 1 . . . . . 59 GLY N . 50119 1 264 . 1 . 1 60 60 ASP H H 1 8.330 0.000 . 1 . . . . . 60 ASP H . 50119 1 265 . 1 . 1 60 60 ASP C C 13 175.196 0.000 . 1 . . . . . 60 ASP C . 50119 1 266 . 1 . 1 60 60 ASP CB C 13 41.258 0.000 . 1 . . . . . 60 ASP CB . 50119 1 267 . 1 . 1 60 60 ASP N N 15 120.928 0.000 . 1 . . . . . 60 ASP N . 50119 1 268 . 1 . 1 61 61 ASP H H 1 8.003 0.000 . 1 . . . . . 61 ASP H . 50119 1 269 . 1 . 1 61 61 ASP C C 13 175.204 0.000 . 1 . . . . . 61 ASP C . 50119 1 270 . 1 . 1 61 61 ASP CA C 13 55.966 0.000 . 1 . . . . . 61 ASP CA . 50119 1 271 . 1 . 1 61 61 ASP CB C 13 42.147 0.000 . 1 . . . . . 61 ASP CB . 50119 1 272 . 1 . 1 61 61 ASP N N 15 125.539 0.000 . 1 . . . . . 61 ASP N . 50119 1 stop_ save_