################################### # 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 50120 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name EB1linker-4D _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' . . . 50120 1 2 '3D HNCACB' . . . 50120 1 3 '3D CBCA(CO)NH' . . . 50120 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 CA C 13 59.966 0.000 . 1 . . . . . 1 GLN CA . 50120 1 2 . 1 . 1 1 1 GLN CB C 13 27.789 0.000 . 1 . . . . . 1 GLN CB . 50120 1 3 . 1 . 1 2 2 GLY H H 1 8.633 0.000 . 1 . . . . . 2 GLY H . 50120 1 4 . 1 . 1 2 2 GLY CA C 13 45.246 0.000 . 1 . . . . . 2 GLY CA . 50120 1 5 . 1 . 1 2 2 GLY N N 15 109.642 0.000 . 1 . . . . . 2 GLY N . 50120 1 6 . 1 . 1 3 3 GLN H H 1 8.560 0.000 . 1 . . . . . 3 GLN H . 50120 1 7 . 1 . 1 3 3 GLN CA C 13 55.918 0.000 . 1 . . . . . 3 GLN CA . 50120 1 8 . 1 . 1 3 3 GLN CB C 13 29.346 0.000 . 1 . . . . . 3 GLN CB . 50120 1 9 . 1 . 1 3 3 GLN N N 15 120.621 0.000 . 1 . . . . . 3 GLN N . 50120 1 10 . 1 . 1 4 4 GLU H H 1 8.730 0.000 . 1 . . . . . 4 GLU H . 50120 1 11 . 1 . 1 4 4 GLU CA C 13 56.817 0.000 . 1 . . . . . 4 GLU CA . 50120 1 12 . 1 . 1 4 4 GLU CB C 13 30.125 0.000 . 1 . . . . . 4 GLU CB . 50120 1 13 . 1 . 1 4 4 GLU N N 15 122.679 0.000 . 1 . . . . . 4 GLU N . 50120 1 14 . 1 . 1 5 5 THR H H 1 8.249 0.000 . 1 . . . . . 5 THR H . 50120 1 15 . 1 . 1 5 5 THR CA C 13 61.873 0.000 . 1 . . . . . 5 THR CA . 50120 1 16 . 1 . 1 5 5 THR CB C 13 69.939 0.000 . 1 . . . . . 5 THR CB . 50120 1 17 . 1 . 1 5 5 THR N N 15 115.659 0.000 . 1 . . . . . 5 THR N . 50120 1 18 . 1 . 1 6 6 ALA H H 1 8.376 0.000 . 1 . . . . . 6 ALA H . 50120 1 19 . 1 . 1 6 6 ALA CA C 13 52.377 0.000 . 1 . . . . . 6 ALA CA . 50120 1 20 . 1 . 1 6 6 ALA CB C 13 19.344 0.000 . 1 . . . . . 6 ALA CB . 50120 1 21 . 1 . 1 6 6 ALA N N 15 127.248 0.000 . 1 . . . . . 6 ALA N . 50120 1 22 . 1 . 1 7 7 VAL H H 1 8.153 0.000 . 1 . . . . . 7 VAL H . 50120 1 23 . 1 . 1 7 7 VAL CA C 13 61.873 0.000 . 1 . . . . . 7 VAL CA . 50120 1 24 . 1 . 1 7 7 VAL CB C 13 32.888 0.000 . 1 . . . . . 7 VAL CB . 50120 1 25 . 1 . 1 7 7 VAL N N 15 119.961 0.000 . 1 . . . . . 7 VAL N . 50120 1 26 . 1 . 1 8 8 ALA H H 1 8.435 0.000 . 1 . . . . . 8 ALA H . 50120 1 27 . 1 . 1 8 8 ALA CA C 13 50.488 0.000 . 1 . . . . . 8 ALA CA . 50120 1 28 . 1 . 1 8 8 ALA CB C 13 18.056 0.000 . 1 . . . . . 8 ALA CB . 50120 1 29 . 1 . 1 8 8 ALA N N 15 129.715 0.000 . 1 . . . . . 8 ALA N . 50120 1 30 . 1 . 1 9 9 PRO CA C 13 63.313 0.000 . 1 . . . . . 9 PRO CA . 50120 1 31 . 1 . 1 9 9 PRO CB C 13 32.071 0.000 . 1 . . . . . 9 PRO CB . 50120 1 32 . 1 . 1 10 10 SER H H 1 8.366 0.000 . 1 . . . . . 10 SER H . 50120 1 33 . 1 . 1 10 10 SER CA C 13 58.312 0.000 . 1 . . . . . 10 SER CA . 50120 1 34 . 1 . 1 10 10 SER CB C 13 63.926 0.000 . 1 . . . . . 10 SER CB . 50120 1 35 . 1 . 1 10 10 SER N N 15 115.539 0.000 . 1 . . . . . 10 SER N . 50120 1 36 . 1 . 1 11 11 LEU H H 1 8.347 0.000 . 1 . . . . . 11 LEU H . 50120 1 37 . 1 . 1 11 11 LEU CA C 13 55.218 0.000 . 1 . . . . . 11 LEU CA . 50120 1 38 . 1 . 1 11 11 LEU CB C 13 42.462 0.000 . 1 . . . . . 11 LEU CB . 50120 1 39 . 1 . 1 11 11 LEU N N 15 124.513 0.000 . 1 . . . . . 11 LEU N . 50120 1 40 . 1 . 1 12 12 VAL H H 1 8.046 0.000 . 1 . . . . . 12 VAL H . 50120 1 41 . 1 . 1 12 12 VAL CA C 13 61.912 0.000 . 1 . . . . . 12 VAL CA . 50120 1 42 . 1 . 1 12 12 VAL CB C 13 32.693 0.000 . 1 . . . . . 12 VAL CB . 50120 1 43 . 1 . 1 12 12 VAL N N 15 120.983 0.000 . 1 . . . . . 12 VAL N . 50120 1 44 . 1 . 1 13 13 ALA H H 1 8.383 0.000 . 1 . . . . . 13 ALA H . 50120 1 45 . 1 . 1 13 13 ALA CA C 13 50.490 0.000 . 1 . . . . . 13 ALA CA . 50120 1 46 . 1 . 1 13 13 ALA CB C 13 18.088 0.000 . 1 . . . . . 13 ALA CB . 50120 1 47 . 1 . 1 13 13 ALA N N 15 129.627 0.000 . 1 . . . . . 13 ALA N . 50120 1 48 . 1 . 1 14 14 PRO CA C 13 63.157 0.000 . 1 . . . . . 14 PRO CA . 50120 1 49 . 1 . 1 14 14 PRO CB C 13 31.993 0.000 . 1 . . . . . 14 PRO CB . 50120 1 50 . 1 . 1 15 15 ALA H H 1 8.382 0.000 . 1 . . . . . 15 ALA H . 50120 1 51 . 1 . 1 15 15 ALA CA C 13 52.279 0.000 . 1 . . . . . 15 ALA CA . 50120 1 52 . 1 . 1 15 15 ALA CB C 13 19.013 0.000 . 1 . . . . . 15 ALA CB . 50120 1 53 . 1 . 1 15 15 ALA N N 15 123.969 0.000 . 1 . . . . . 15 ALA N . 50120 1 54 . 1 . 1 16 16 LEU H H 1 8.241 0.000 . 1 . . . . . 16 LEU H . 50120 1 55 . 1 . 1 16 16 LEU CA C 13 55.023 0.000 . 1 . . . . . 16 LEU CA . 50120 1 56 . 1 . 1 16 16 LEU CB C 13 42.540 0.000 . 1 . . . . . 16 LEU CB . 50120 1 57 . 1 . 1 16 16 LEU N N 15 121.356 0.000 . 1 . . . . . 16 LEU N . 50120 1 58 . 1 . 1 17 17 ASN H H 1 8.411 0.000 . 1 . . . . . 17 ASN H . 50120 1 59 . 1 . 1 17 17 ASN CA C 13 52.999 0.000 . 1 . . . . . 17 ASN CA . 50120 1 60 . 1 . 1 17 17 ASN CB C 13 38.882 0.000 . 1 . . . . . 17 ASN CB . 50120 1 61 . 1 . 1 17 17 ASN N N 15 119.478 0.000 . 1 . . . . . 17 ASN N . 50120 1 62 . 1 . 1 18 18 LYS H H 1 8.213 0.000 . 1 . . . . . 18 LYS H . 50120 1 63 . 1 . 1 18 18 LYS CA C 13 54.257 0.000 . 1 . . . . . 18 LYS CA . 50120 1 64 . 1 . 1 18 18 LYS CB C 13 32.540 0.000 . 1 . . . . . 18 LYS CB . 50120 1 65 . 1 . 1 18 18 LYS N N 15 122.880 0.000 . 1 . . . . . 18 LYS N . 50120 1 66 . 1 . 1 19 19 PRO CA C 13 63.041 0.000 . 1 . . . . . 19 PRO CA . 50120 1 67 . 1 . 1 19 19 PRO CB C 13 32.032 0.000 . 1 . . . . . 19 PRO CB . 50120 1 68 . 1 . 1 20 20 LYS H H 1 8.501 0.000 . 1 . . . . . 20 LYS H . 50120 1 69 . 1 . 1 20 20 LYS CA C 13 55.918 0.000 . 1 . . . . . 20 LYS CA . 50120 1 70 . 1 . 1 20 20 LYS CB C 13 30.864 0.000 . 1 . . . . . 20 LYS CB . 50120 1 71 . 1 . 1 20 20 LYS N N 15 122.384 0.000 . 1 . . . . . 20 LYS N . 50120 1 72 . 1 . 1 21 21 LYS H H 1 8.489 0.000 . 1 . . . . . 21 LYS H . 50120 1 73 . 1 . 1 21 21 LYS CA C 13 56.240 0.000 . 1 . . . . . 21 LYS CA . 50120 1 74 . 1 . 1 21 21 LYS CB C 13 32.895 0.000 . 1 . . . . . 21 LYS CB . 50120 1 75 . 1 . 1 21 21 LYS N N 15 122.862 0.000 . 1 . . . . . 21 LYS N . 50120 1 76 . 1 . 1 22 22 PRO CA C 13 63.235 0.000 . 1 . . . . . 22 PRO CA . 50120 1 77 . 1 . 1 22 22 PRO CB C 13 31.993 0.000 . 1 . . . . . 22 PRO CB . 50120 1 78 . 1 . 1 23 23 LEU H H 1 8.368 0.000 . 1 . . . . . 23 LEU H . 50120 1 79 . 1 . 1 23 23 LEU CA C 13 54.517 0.000 . 1 . . . . . 23 LEU CA . 50120 1 80 . 1 . 1 23 23 LEU CB C 13 41.372 0.000 . 1 . . . . . 23 LEU CB . 50120 1 81 . 1 . 1 23 23 LEU N N 15 121.668 0.000 . 1 . . . . . 23 LEU N . 50120 1 82 . 1 . 1 24 24 ASP H H 1 8.358 0.000 . 1 . . . . . 24 ASP H . 50120 1 83 . 1 . 1 24 24 ASP CA C 13 45.314 0.000 . 1 . . . . . 24 ASP CA . 50120 1 84 . 1 . 1 24 24 ASP CB C 13 31.954 0.000 . 1 . . . . . 24 ASP CB . 50120 1 85 . 1 . 1 24 24 ASP N N 15 120.979 0.000 . 1 . . . . . 24 ASP N . 50120 1 86 . 1 . 1 25 25 ASP CA C 13 54.284 0.000 . 1 . . . . . 25 ASP CA . 50120 1 87 . 1 . 1 25 25 ASP CB C 13 41.178 0.000 . 1 . . . . . 25 ASP CB . 50120 1 88 . 1 . 1 25 25 ASP N N 15 121.044 0.000 . 1 . . . . . 25 ASP N . 50120 1 89 . 1 . 1 26 26 ASP H H 1 8.260 0.000 . 1 . . . . . 26 ASP H . 50120 1 90 . 1 . 1 26 26 ASP CA C 13 55.179 0.000 . 1 . . . . . 26 ASP CA . 50120 1 91 . 1 . 1 26 26 ASP CB C 13 42.345 0.000 . 1 . . . . . 26 ASP CB . 50120 1 92 . 1 . 1 26 26 ASP N N 15 120.462 0.000 . 1 . . . . . 26 ASP N . 50120 1 93 . 1 . 1 27 27 ASP H H 1 8.313 0.000 . 1 . . . . . 27 ASP H . 50120 1 94 . 1 . 1 27 27 ASP CA C 13 54.595 0.000 . 1 . . . . . 27 ASP CA . 50120 1 95 . 1 . 1 27 27 ASP CB C 13 41.178 0.000 . 1 . . . . . 27 ASP CB . 50120 1 96 . 1 . 1 27 27 ASP N N 15 120.709 0.000 . 1 . . . . . 27 ASP N . 50120 1 97 . 1 . 1 28 28 ALA H H 1 8.106 0.000 . 1 . . . . . 28 ALA H . 50120 1 98 . 1 . 1 28 28 ALA CA C 13 52.221 0.000 . 1 . . . . . 28 ALA CA . 50120 1 99 . 1 . 1 28 28 ALA CB C 13 19.149 0.000 . 1 . . . . . 28 ALA CB . 50120 1 100 . 1 . 1 28 28 ALA N N 15 123.542 0.000 . 1 . . . . . 28 ALA N . 50120 1 101 . 1 . 1 29 29 ALA H H 1 8.131 0.000 . 1 . . . . . 29 ALA H . 50120 1 102 . 1 . 1 29 29 ALA CA C 13 50.803 0.000 . 1 . . . . . 29 ALA CA . 50120 1 103 . 1 . 1 29 29 ALA CB C 13 18.069 0.000 . 1 . . . . . 29 ALA CB . 50120 1 104 . 1 . 1 29 29 ALA N N 15 124.382 0.000 . 1 . . . . . 29 ALA N . 50120 1 105 . 1 . 1 30 30 PRO CA C 13 63.391 0.000 . 1 . . . . . 30 PRO CA . 50120 1 106 . 1 . 1 30 30 PRO CB C 13 31.837 0.000 . 1 . . . . . 30 PRO CB . 50120 1 107 . 1 . 1 31 31 GLN H H 1 8.508 0.000 . 1 . . . . . 31 GLN H . 50120 1 108 . 1 . 1 31 31 GLN CA C 13 56.344 0.000 . 1 . . . . . 31 GLN CA . 50120 1 109 . 1 . 1 31 31 GLN CB C 13 29.393 0.000 . 1 . . . . . 31 GLN CB . 50120 1 110 . 1 . 1 31 31 GLN N N 15 120.239 0.000 . 1 . . . . . 31 GLN N . 50120 1 111 . 1 . 1 32 32 ARG H H 1 8.402 0.000 . 1 . . . . . 32 ARG H . 50120 1 112 . 1 . 1 32 32 ARG CA C 13 54.179 0.000 . 1 . . . . . 32 ARG CA . 50120 1 113 . 1 . 1 32 32 ARG CB C 13 32.721 0.000 . 1 . . . . . 32 ARG CB . 50120 1 114 . 1 . 1 32 32 ARG N N 15 124.437 0.000 . 1 . . . . . 32 ARG N . 50120 1 115 . 1 . 1 33 33 PRO CA C 13 63.274 0.000 . 1 . . . . . 33 PRO CA . 50120 1 116 . 1 . 1 33 33 PRO CB C 13 31.915 0.000 . 1 . . . . . 33 PRO CB . 50120 1 117 . 1 . 1 34 34 ILE H H 1 8.363 0.000 . 1 . . . . . 34 ILE H . 50120 1 118 . 1 . 1 34 34 ILE CA C 13 61.484 0.000 . 1 . . . . . 34 ILE CA . 50120 1 119 . 1 . 1 34 34 ILE CB C 13 38.843 0.000 . 1 . . . . . 34 ILE CB . 50120 1 120 . 1 . 1 34 34 ILE N N 15 121.429 0.000 . 1 . . . . . 34 ILE N . 50120 1 121 . 1 . 1 35 35 SER H H 1 8.458 0.000 . 1 . . . . . 35 SER H . 50120 1 122 . 1 . 1 35 35 SER CA C 13 58.254 0.000 . 1 . . . . . 35 SER CA . 50120 1 123 . 1 . 1 35 35 SER CB C 13 64.024 0.000 . 1 . . . . . 35 SER CB . 50120 1 124 . 1 . 1 35 35 SER N N 15 119.563 0.000 . 1 . . . . . 35 SER N . 50120 1 125 . 1 . 1 36 36 THR H H 1 8.258 0.000 . 1 . . . . . 36 THR H . 50120 1 126 . 1 . 1 36 36 THR CA C 13 62.029 0.000 . 1 . . . . . 36 THR CA . 50120 1 127 . 1 . 1 36 36 THR CB C 13 69.784 0.000 . 1 . . . . . 36 THR CB . 50120 1 128 . 1 . 1 36 36 THR N N 15 116.117 0.000 . 1 . . . . . 36 THR N . 50120 1 129 . 1 . 1 37 37 GLN H H 1 8.381 0.000 . 1 . . . . . 37 GLN H . 50120 1 130 . 1 . 1 37 37 GLN CA C 13 55.724 0.000 . 1 . . . . . 37 GLN CA . 50120 1 131 . 1 . 1 37 37 GLN CB C 13 29.346 0.000 . 1 . . . . . 37 GLN CB . 50120 1 132 . 1 . 1 37 37 GLN N N 15 122.659 0.000 . 1 . . . . . 37 GLN N . 50120 1 133 . 1 . 1 38 38 ARG H H 1 8.370 0.000 . 1 . . . . . 38 ARG H . 50120 1 134 . 1 . 1 38 38 ARG CA C 13 56.658 0.000 . 1 . . . . . 38 ARG CA . 50120 1 135 . 1 . 1 38 38 ARG CB C 13 30.319 0.000 . 1 . . . . . 38 ARG CB . 50120 1 136 . 1 . 1 38 38 ARG N N 15 123.471 0.000 . 1 . . . . . 38 ARG N . 50120 1 137 . 1 . 1 39 39 THR H H 1 8.233 0.000 . 1 . . . . . 39 THR H . 50120 1 138 . 1 . 1 39 39 THR CA C 13 61.873 0.000 . 1 . . . . . 39 THR CA . 50120 1 139 . 1 . 1 39 39 THR CB C 13 69.900 0.000 . 1 . . . . . 39 THR CB . 50120 1 140 . 1 . 1 39 39 THR N N 15 115.864 0.000 . 1 . . . . . 39 THR N . 50120 1 141 . 1 . 1 40 40 ALA H H 1 8.390 0.000 . 1 . . . . . 40 ALA H . 50120 1 142 . 1 . 1 40 40 ALA CA C 13 52.299 0.000 . 1 . . . . . 40 ALA CA . 50120 1 143 . 1 . 1 40 40 ALA CB C 13 19.305 0.000 . 1 . . . . . 40 ALA CB . 50120 1 144 . 1 . 1 40 40 ALA N N 15 126.864 0.000 . 1 . . . . . 40 ALA N . 50120 1 145 . 1 . 1 41 41 ALA H H 1 8.274 0.000 . 1 . . . . . 41 ALA H . 50120 1 146 . 1 . 1 41 41 ALA CA C 13 52.065 0.000 . 1 . . . . . 41 ALA CA . 50120 1 147 . 1 . 1 41 41 ALA CB C 13 19.188 0.000 . 1 . . . . . 41 ALA CB . 50120 1 148 . 1 . 1 41 41 ALA N N 15 123.731 0.000 . 1 . . . . . 41 ALA N . 50120 1 149 . 1 . 1 42 42 ALA H H 1 8.296 0.000 . 1 . . . . . 42 ALA H . 50120 1 150 . 1 . 1 42 42 ALA CA C 13 50.257 0.000 . 1 . . . . . 42 ALA CA . 50120 1 151 . 1 . 1 42 42 ALA CB C 13 17.891 0.000 . 1 . . . . . 42 ALA CB . 50120 1 152 . 1 . 1 42 42 ALA N N 15 125.128 0.000 . 1 . . . . . 42 ALA N . 50120 1 153 . 1 . 1 43 43 PRO CA C 13 63.080 0.000 . 1 . . . . . 43 PRO CA . 50120 1 154 . 1 . 1 43 43 PRO CB C 13 31.954 0.000 . 1 . . . . . 43 PRO CB . 50120 1 155 . 1 . 1 44 44 LYS H H 1 8.463 0.000 . 1 . . . . . 44 LYS H . 50120 1 156 . 1 . 1 44 44 LYS CA C 13 56.230 0.000 . 1 . . . . . 44 LYS CA . 50120 1 157 . 1 . 1 44 44 LYS CB C 13 33.044 0.000 . 1 . . . . . 44 LYS CB . 50120 1 158 . 1 . 1 44 44 LYS N N 15 121.929 0.000 . 1 . . . . . 44 LYS N . 50120 1 159 . 1 . 1 45 45 ALA H H 1 8.373 0.000 . 1 . . . . . 45 ALA H . 50120 1 160 . 1 . 1 45 45 ALA CA C 13 52.299 0.000 . 1 . . . . . 45 ALA CA . 50120 1 161 . 1 . 1 45 45 ALA CB C 13 19.733 0.000 . 1 . . . . . 45 ALA CB . 50120 1 162 . 1 . 1 45 45 ALA N N 15 125.533 0.000 . 1 . . . . . 45 ALA N . 50120 1 163 . 1 . 1 46 46 GLY H H 1 8.277 0.000 . 1 . . . . . 46 GLY H . 50120 1 164 . 1 . 1 46 46 GLY CA C 13 44.228 0.000 . 1 . . . . . 46 GLY CA . 50120 1 165 . 1 . 1 46 46 GLY N N 15 108.648 0.000 . 1 . . . . . 46 GLY N . 50120 1 166 . 1 . 1 47 47 PRO CA C 13 63.624 0.000 . 1 . . . . . 47 PRO CA . 50120 1 167 . 1 . 1 47 47 PRO CB C 13 31.954 0.000 . 1 . . . . . 47 PRO CB . 50120 1 168 . 1 . 1 48 48 GLY H H 1 8.581 0.000 . 1 . . . . . 48 GLY H . 50120 1 169 . 1 . 1 48 48 GLY CA C 13 45.254 0.000 . 1 . . . . . 48 GLY CA . 50120 1 170 . 1 . 1 48 48 GLY N N 15 109.516 0.000 . 1 . . . . . 48 GLY N . 50120 1 171 . 1 . 1 49 49 VAL H H 1 7.945 0.000 . 1 . . . . . 49 VAL H . 50120 1 172 . 1 . 1 49 49 VAL CA C 13 62.379 0.000 . 1 . . . . . 49 VAL CA . 50120 1 173 . 1 . 1 49 49 VAL CB C 13 32.693 0.000 . 1 . . . . . 49 VAL CB . 50120 1 174 . 1 . 1 49 49 VAL N N 15 120.026 0.000 . 1 . . . . . 49 VAL N . 50120 1 175 . 1 . 1 50 50 VAL H H 1 8.325 0.000 . 1 . . . . . 50 VAL H . 50120 1 176 . 1 . 1 50 50 VAL CA C 13 62.184 0.000 . 1 . . . . . 50 VAL CA . 50120 1 177 . 1 . 1 50 50 VAL CB C 13 32.654 0.000 . 1 . . . . . 50 VAL CB . 50120 1 178 . 1 . 1 50 50 VAL N N 15 125.339 0.000 . 1 . . . . . 50 VAL N . 50120 1 179 . 1 . 1 51 51 ARG H H 1 8.507 0.000 . 1 . . . . . 51 ARG H . 50120 1 180 . 1 . 1 51 51 ARG CA C 13 55.851 0.000 . 1 . . . . . 51 ARG CA . 50120 1 181 . 1 . 1 51 51 ARG CB C 13 30.825 0.000 . 1 . . . . . 51 ARG CB . 50120 1 182 . 1 . 1 51 51 ARG N N 15 126.287 0.000 . 1 . . . . . 51 ARG N . 50120 1 183 . 1 . 1 52 52 LYS H H 1 8.503 0.000 . 1 . . . . . 52 LYS H . 50120 1 184 . 1 . 1 52 52 LYS CA C 13 56.327 0.000 . 1 . . . . . 52 LYS CA . 50120 1 185 . 1 . 1 52 52 LYS CB C 13 33.297 0.000 . 1 . . . . . 52 LYS CB . 50120 1 186 . 1 . 1 52 52 LYS N N 15 123.712 0.000 . 1 . . . . . 52 LYS N . 50120 1 187 . 1 . 1 53 53 ASN H H 1 8.632 0.000 . 1 . . . . . 53 ASN H . 50120 1 188 . 1 . 1 53 53 ASN CA C 13 51.438 0.000 . 1 . . . . . 53 ASN CA . 50120 1 189 . 1 . 1 53 53 ASN CB C 13 38.725 0.000 . 1 . . . . . 53 ASN CB . 50120 1 190 . 1 . 1 53 53 ASN N N 15 121.367 0.000 . 1 . . . . . 53 ASN N . 50120 1 191 . 1 . 1 54 54 PRO CA C 13 63.800 0.000 . 1 . . . . . 54 PRO CA . 50120 1 192 . 1 . 1 54 54 PRO CB C 13 32.012 0.000 . 1 . . . . . 54 PRO CB . 50120 1 193 . 1 . 1 55 55 GLY H H 1 8.491 0.000 . 1 . . . . . 55 GLY H . 50120 1 194 . 1 . 1 55 55 GLY CA C 13 45.235 0.000 . 1 . . . . . 55 GLY CA . 50120 1 195 . 1 . 1 55 55 GLY N N 15 109.095 0.000 . 1 . . . . . 55 GLY N . 50120 1 196 . 1 . 1 56 56 VAL H H 1 8.028 0.000 . 1 . . . . . 56 VAL H . 50120 1 197 . 1 . 1 56 56 VAL CA C 13 62.282 0.000 . 1 . . . . . 56 VAL CA . 50120 1 198 . 1 . 1 56 56 VAL CB C 13 32.674 0.000 . 1 . . . . . 56 VAL CB . 50120 1 199 . 1 . 1 56 56 VAL N N 15 118.957 0.000 . 1 . . . . . 56 VAL N . 50120 1 200 . 1 . 1 57 57 GLY H H 1 8.628 0.000 . 1 . . . . . 57 GLY H . 50120 1 201 . 1 . 1 57 57 GLY CA C 13 45.235 0.000 . 1 . . . . . 57 GLY CA . 50120 1 202 . 1 . 1 57 57 GLY N N 15 112.598 0.000 . 1 . . . . . 57 GLY N . 50120 1 203 . 1 . 1 58 58 ASN H H 1 8.500 0.000 . 1 . . . . . 58 ASN H . 50120 1 204 . 1 . 1 58 58 ASN CA C 13 53.330 0.000 . 1 . . . . . 58 ASN CA . 50120 1 205 . 1 . 1 58 58 ASN CB C 13 39.290 0.000 . 1 . . . . . 58 ASN CB . 50120 1 206 . 1 . 1 58 58 ASN N N 15 118.979 0.000 . 1 . . . . . 58 ASN N . 50120 1 207 . 1 . 1 59 59 GLY H H 1 8.569 0.000 . 1 . . . . . 59 GLY H . 50120 1 208 . 1 . 1 59 59 GLY CA C 13 45.507 0.000 . 1 . . . . . 59 GLY CA . 50120 1 209 . 1 . 1 59 59 GLY N N 15 109.724 0.000 . 1 . . . . . 59 GLY N . 50120 1 210 . 1 . 1 60 60 ASP H H 1 8.331 0.000 . 1 . . . . . 60 ASP H . 50120 1 211 . 1 . 1 60 60 ASP CA C 13 54.303 0.000 . 1 . . . . . 60 ASP CA . 50120 1 212 . 1 . 1 60 60 ASP CB C 13 41.353 0.000 . 1 . . . . . 60 ASP CB . 50120 1 213 . 1 . 1 60 60 ASP N N 15 120.990 0.000 . 1 . . . . . 60 ASP N . 50120 1 214 . 1 . 1 61 61 ASP H H 1 8.003 0.000 . 1 . . . . . 61 ASP H . 50120 1 215 . 1 . 1 61 61 ASP CA C 13 55.807 0.000 . 1 . . . . . 61 ASP CA . 50120 1 216 . 1 . 1 61 61 ASP CB C 13 41.801 0.000 . 1 . . . . . 61 ASP CB . 50120 1 217 . 1 . 1 61 61 ASP N N 15 125.541 0.000 . 1 . . . . . 61 ASP N . 50120 1 stop_ save_