################################### # 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 50239 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'H-NS_ C_terminal' _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' . . . 50239 1 2 '3D HNCA' . . . 50239 1 3 '3D HN(CO)CA' . . . 50239 1 4 '3D HNCO' . . . 50239 1 5 '3D CBCA(CO)NH' . . . 50239 1 6 '2D (H)CACO' . . . 50239 1 7 '2D (H)CACBCO' . . . 50239 1 8 '2D 1H-13C HSQC aliphatic' . . . 50239 1 9 '3D HNCACB' . . . 50239 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 1 $software_1 . . 50239 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 GLY HA2 H 1 3.99 0.02 . 2 . . . . . 80 GLY HA2 . 50239 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.994 0.02 . 2 . . . . . 80 GLY HA3 . 50239 1 3 . 1 . 1 1 1 GLY C C 13 169.115 0.3 . 1 . . . . . 80 GLY C . 50239 1 4 . 1 . 1 1 1 GLY CA C 13 43.621 0.3 . 1 . . . . . 80 GLY CA . 50239 1 5 . 1 . 1 2 2 PRO HA H 1 4.49 0.02 . 1 . . . . . 81 PRO HA . 50239 1 6 . 1 . 1 2 2 PRO C C 13 177.254 0.3 . 1 . . . . . 81 PRO C . 50239 1 7 . 1 . 1 2 2 PRO CA C 13 63.26 0.3 . 1 . . . . . 81 PRO CA . 50239 1 8 . 1 . 1 2 2 PRO CB C 13 32.466 0.3 . 1 . . . . . 81 PRO CB . 50239 1 9 . 1 . 1 3 3 LEU H H 1 8.531 0.02 . 1 . . . . . 82 LEU H . 50239 1 10 . 1 . 1 3 3 LEU HA H 1 4.371 0.02 . 1 . . . . . 82 LEU HA . 50239 1 11 . 1 . 1 3 3 LEU C C 13 178.237 0.3 . 1 . . . . . 82 LEU C . 50239 1 12 . 1 . 1 3 3 LEU CA C 13 55.592 0.3 . 1 . . . . . 82 LEU CA . 50239 1 13 . 1 . 1 3 3 LEU CB C 13 42.397 0.3 . 1 . . . . . 82 LEU CB . 50239 1 14 . 1 . 1 3 3 LEU N N 15 123.201 0.3 . 1 . . . . . 82 LEU N . 50239 1 15 . 1 . 1 4 4 GLY H H 1 8.43 0.02 . 1 . . . . . 83 GLY H . 50239 1 16 . 1 . 1 4 4 GLY HA2 H 1 4 0.02 . 2 . . . . . 83 GLY HA2 . 50239 1 17 . 1 . 1 4 4 GLY HA3 H 1 4.018 0.02 . 2 . . . . . 83 GLY HA3 . 50239 1 18 . 1 . 1 4 4 GLY C C 13 174.562 0.3 . 1 . . . . . 83 GLY C . 50239 1 19 . 1 . 1 4 4 GLY CA C 13 45.455 0.3 . 1 . . . . . 83 GLY CA . 50239 1 20 . 1 . 1 4 4 GLY N N 15 110.58 0.3 . 1 . . . . . 83 GLY N . 50239 1 21 . 1 . 1 5 5 SER HA H 1 4.482 0.02 . 1 . . . . . 84 SER HA . 50239 1 22 . 1 . 1 5 5 SER C C 13 175.445 0.3 . 1 . . . . . 84 SER C . 50239 1 23 . 1 . 1 5 5 SER CA C 13 58.684 0.3 . 1 . . . . . 84 SER CA . 50239 1 24 . 1 . 1 5 5 SER CB C 13 64.102 0.3 . 1 . . . . . 84 SER CB . 50239 1 25 . 1 . 1 6 6 GLY H H 1 8.553 0.02 . 1 . . . . . 85 GLY H . 50239 1 26 . 1 . 1 6 6 GLY HA2 H 1 4.042 0.02 . 2 . . . . . 85 GLY HA2 . 50239 1 27 . 1 . 1 6 6 GLY HA3 H 1 4.038 0.02 . 2 . . . . . 85 GLY HA3 . 50239 1 28 . 1 . 1 6 6 GLY C C 13 174.67 0.3 . 1 . . . . . 85 GLY C . 50239 1 29 . 1 . 1 6 6 GLY CA C 13 45.586 0.3 . 1 . . . . . 85 GLY CA . 50239 1 30 . 1 . 1 6 6 GLY N N 15 111.64 0.3 . 1 . . . . . 85 GLY N . 50239 1 31 . 1 . 1 7 7 THR H H 1 8.078 0.02 . 1 . . . . . 86 THR H . 50239 1 32 . 1 . 1 7 7 THR HA H 1 4.316 0.02 . 1 . . . . . 86 THR HA . 50239 1 33 . 1 . 1 7 7 THR C C 13 174.949 0.3 . 1 . . . . . 86 THR C . 50239 1 34 . 1 . 1 7 7 THR CA C 13 62.286 0.3 . 1 . . . . . 86 THR CA . 50239 1 35 . 1 . 1 7 7 THR CB C 13 69.967 0.3 . 1 . . . . . 86 THR CB . 50239 1 36 . 1 . 1 7 7 THR N N 15 114.818 0.3 . 1 . . . . . 86 THR N . 50239 1 37 . 1 . 1 8 8 LYS H H 1 8.356 0.02 . 1 . . . . . 87 LYS H . 50239 1 38 . 1 . 1 8 8 LYS HA H 1 4.274 0.02 . 1 . . . . . 87 LYS HA . 50239 1 39 . 1 . 1 8 8 LYS C C 13 176.763 0.3 . 1 . . . . . 87 LYS C . 50239 1 40 . 1 . 1 8 8 LYS CA C 13 56.487 0.3 . 1 . . . . . 87 LYS CA . 50239 1 41 . 1 . 1 8 8 LYS CB C 13 33.166 0.3 . 1 . . . . . 87 LYS CB . 50239 1 42 . 1 . 1 8 8 LYS N N 15 124.52 0.3 . 1 . . . . . 87 LYS N . 50239 1 43 . 1 . 1 9 9 ALA H H 1 8.213 0.02 . 1 . . . . . 88 ALA H . 50239 1 44 . 1 . 1 9 9 ALA HA H 1 4.274 0.02 . 1 . . . . . 88 ALA HA . 50239 1 45 . 1 . 1 9 9 ALA C C 13 177.876 0.3 . 1 . . . . . 88 ALA C . 50239 1 46 . 1 . 1 9 9 ALA CA C 13 52.642 0.3 . 1 . . . . . 88 ALA CA . 50239 1 47 . 1 . 1 9 9 ALA CB C 13 19.42 0.3 . 1 . . . . . 88 ALA CB . 50239 1 48 . 1 . 1 9 9 ALA N N 15 125.737 0.3 . 1 . . . . . 88 ALA N . 50239 1 49 . 1 . 1 10 10 LYS HA H 1 4.312 0.02 . 1 . . . . . 89 LYS HA . 50239 1 50 . 1 . 1 10 10 LYS C C 13 176.536 0.3 . 1 . . . . . 89 LYS C . 50239 1 51 . 1 . 1 10 10 LYS CA C 13 56.508 0.3 . 1 . . . . . 89 LYS CA . 50239 1 52 . 1 . 1 10 10 LYS CB C 13 33.038 0.3 . 1 . . . . . 89 LYS CB . 50239 1 53 . 1 . 1 11 11 ARG HA H 1 4.31 0.02 . 1 . . . . . 90 ARG HA . 50239 1 54 . 1 . 1 11 11 ARG C C 13 176.039 0.3 . 1 . . . . . 90 ARG C . 50239 1 55 . 1 . 1 11 11 ARG CA C 13 56.118 0.3 . 1 . . . . . 90 ARG CA . 50239 1 56 . 1 . 1 11 11 ARG CB C 13 31.143 0.3 . 1 . . . . . 90 ARG CB . 50239 1 57 . 1 . 1 12 12 ALA HA H 1 4.292 0.02 . 1 . . . . . 91 ALA HA . 50239 1 58 . 1 . 1 12 12 ALA C C 13 177.392 0.3 . 1 . . . . . 91 ALA C . 50239 1 59 . 1 . 1 12 12 ALA CA C 13 52.412 0.3 . 1 . . . . . 91 ALA CA . 50239 1 60 . 1 . 1 12 12 ALA CB C 13 19.487 0.3 . 1 . . . . . 91 ALA CB . 50239 1 61 . 1 . 1 12 12 ALA N N 15 126.622 0.3 . 1 . . . . . 91 ALA N . 50239 1 62 . 1 . 1 13 13 ALA H H 1 8.276 0.02 . 1 . . . . . 92 ALA H . 50239 1 63 . 1 . 1 13 13 ALA HA H 1 4.288 0.02 . 1 . . . . . 92 ALA HA . 50239 1 64 . 1 . 1 13 13 ALA C C 13 177.608 0.3 . 1 . . . . . 92 ALA C . 50239 1 65 . 1 . 1 13 13 ALA CA C 13 52.483 0.3 . 1 . . . . . 92 ALA CA . 50239 1 66 . 1 . 1 13 13 ALA CB C 13 19.44 0.3 . 1 . . . . . 92 ALA CB . 50239 1 67 . 1 . 1 13 13 ALA N N 15 124.61 0.3 . 1 . . . . . 92 ALA N . 50239 1 68 . 1 . 1 14 14 ARG H H 1 8.252 0.02 . 1 . . . . . 93 ARG H . 50239 1 69 . 1 . 1 14 14 ARG HA H 1 4.61 0.02 . 1 . . . . . 93 ARG HA . 50239 1 70 . 1 . 1 14 14 ARG C C 13 174.213 0.3 . 1 . . . . . 93 ARG C . 50239 1 71 . 1 . 1 14 14 ARG CA C 13 53.828 0.3 . 1 . . . . . 93 ARG CA . 50239 1 72 . 1 . 1 14 14 ARG CB C 13 30.399 0.3 . 1 . . . . . 93 ARG CB . 50239 1 73 . 1 . 1 14 14 ARG N N 15 121.978 0.3 . 1 . . . . . 93 ARG N . 50239 1 74 . 1 . 1 15 15 PRO HA H 1 4.372 0.02 . 1 . . . . . 94 PRO HA . 50239 1 75 . 1 . 1 15 15 PRO C C 13 176.525 0.3 . 1 . . . . . 94 PRO C . 50239 1 76 . 1 . 1 15 15 PRO CA C 13 63.125 0.3 . 1 . . . . . 94 PRO CA . 50239 1 77 . 1 . 1 15 15 PRO CB C 13 32.225 0.3 . 1 . . . . . 94 PRO CB . 50239 1 78 . 1 . 1 16 16 ALA H H 1 8.195 0.02 . 1 . . . . . 95 ALA H . 50239 1 79 . 1 . 1 16 16 ALA HA H 1 4.053 0.02 . 1 . . . . . 95 ALA HA . 50239 1 80 . 1 . 1 16 16 ALA C C 13 176.059 0.3 . 1 . . . . . 95 ALA C . 50239 1 81 . 1 . 1 16 16 ALA CA C 13 52.639 0.3 . 1 . . . . . 95 ALA CA . 50239 1 82 . 1 . 1 16 16 ALA CB C 13 19.692 0.3 . 1 . . . . . 95 ALA CB . 50239 1 83 . 1 . 1 16 16 ALA N N 15 124.839 0.3 . 1 . . . . . 95 ALA N . 50239 1 84 . 1 . 1 17 17 LYS H H 1 7.645 0.02 . 1 . . . . . 96 LYS H . 50239 1 85 . 1 . 1 17 17 LYS HA H 1 4.369 0.02 . 1 . . . . . 96 LYS HA . 50239 1 86 . 1 . 1 17 17 LYS C C 13 174.175 0.3 . 1 . . . . . 96 LYS C . 50239 1 87 . 1 . 1 17 17 LYS CA C 13 56.325 0.3 . 1 . . . . . 96 LYS CA . 50239 1 88 . 1 . 1 17 17 LYS CB C 13 35.962 0.3 . 1 . . . . . 96 LYS CB . 50239 1 89 . 1 . 1 17 17 LYS N N 15 120.649 0.3 . 1 . . . . . 96 LYS N . 50239 1 90 . 1 . 1 18 18 TYR H H 1 8.44 0.02 . 1 . . . . . 97 TYR H . 50239 1 91 . 1 . 1 18 18 TYR HA H 1 5.491 0.02 . 1 . . . . . 97 TYR HA . 50239 1 92 . 1 . 1 18 18 TYR C C 13 175.667 0.3 . 1 . . . . . 97 TYR C . 50239 1 93 . 1 . 1 18 18 TYR CA C 13 56.816 0.3 . 1 . . . . . 97 TYR CA . 50239 1 94 . 1 . 1 18 18 TYR CB C 13 42.035 0.3 . 1 . . . . . 97 TYR CB . 50239 1 95 . 1 . 1 18 18 TYR N N 15 119.146 0.3 . 1 . . . . . 97 TYR N . 50239 1 96 . 1 . 1 19 19 SER H H 1 9.339 0.02 . 1 . . . . . 98 SER H . 50239 1 97 . 1 . 1 19 19 SER HA H 1 5.719 0.02 . 1 . . . . . 98 SER HA . 50239 1 98 . 1 . 1 19 19 SER C C 13 172.92 0.3 . 1 . . . . . 98 SER C . 50239 1 99 . 1 . 1 19 19 SER CA C 13 56.824 0.3 . 1 . . . . . 98 SER CA . 50239 1 100 . 1 . 1 19 19 SER CB C 13 65.998 0.3 . 1 . . . . . 98 SER CB . 50239 1 101 . 1 . 1 19 19 SER N N 15 116.426 0.3 . 1 . . . . . 98 SER N . 50239 1 102 . 1 . 1 20 20 TYR H H 1 8.817 0.02 . 1 . . . . . 99 TYR H . 50239 1 103 . 1 . 1 20 20 TYR HA H 1 5.155 0.02 . 1 . . . . . 99 TYR HA . 50239 1 104 . 1 . 1 20 20 TYR C C 13 171.68 0.3 . 1 . . . . . 99 TYR C . 50239 1 105 . 1 . 1 20 20 TYR CA C 13 56.126 0.3 . 1 . . . . . 99 TYR CA . 50239 1 106 . 1 . 1 20 20 TYR CB C 13 39.771 0.3 . 1 . . . . . 99 TYR CB . 50239 1 107 . 1 . 1 20 20 TYR N N 15 121.173 0.3 . 1 . . . . . 99 TYR N . 50239 1 108 . 1 . 1 21 21 VAL H H 1 8.554 0.02 . 1 . . . . . 100 VAL H . 50239 1 109 . 1 . 1 21 21 VAL HA H 1 4.471 0.02 . 1 . . . . . 100 VAL HA . 50239 1 110 . 1 . 1 21 21 VAL C C 13 176.705 0.3 . 1 . . . . . 100 VAL C . 50239 1 111 . 1 . 1 21 21 VAL CA C 13 61.59 0.3 . 1 . . . . . 100 VAL CA . 50239 1 112 . 1 . 1 21 21 VAL CB C 13 32.555 0.3 . 1 . . . . . 100 VAL CB . 50239 1 113 . 1 . 1 21 21 VAL N N 15 121.705 0.3 . 1 . . . . . 100 VAL N . 50239 1 114 . 1 . 1 22 22 ASP H H 1 8.953 0.02 . 1 . . . . . 101 ASP H . 50239 1 115 . 1 . 1 22 22 ASP HA H 1 4.775 0.02 . 1 . . . . . 101 ASP HA . 50239 1 116 . 1 . 1 22 22 ASP C C 13 177.931 0.3 . 1 . . . . . 101 ASP C . 50239 1 117 . 1 . 1 22 22 ASP CA C 13 52.993 0.3 . 1 . . . . . 101 ASP CA . 50239 1 118 . 1 . 1 22 22 ASP CB C 13 41.893 0.3 . 1 . . . . . 101 ASP CB . 50239 1 119 . 1 . 1 22 22 ASP N N 15 128.253 0.3 . 1 . . . . . 101 ASP N . 50239 1 120 . 1 . 1 23 23 GLU H H 1 9.83 0.02 . 1 . . . . . 102 GLU H . 50239 1 121 . 1 . 1 23 23 GLU HA H 1 4.102 0.02 . 1 . . . . . 102 GLU HA . 50239 1 122 . 1 . 1 23 23 GLU C C 13 177.138 0.3 . 1 . . . . . 102 GLU C . 50239 1 123 . 1 . 1 23 23 GLU CA C 13 59.282 0.3 . 1 . . . . . 102 GLU CA . 50239 1 124 . 1 . 1 23 23 GLU CB C 13 28.939 0.3 . 1 . . . . . 102 GLU CB . 50239 1 125 . 1 . 1 23 23 GLU N N 15 119.051 0.3 . 1 . . . . . 102 GLU N . 50239 1 126 . 1 . 1 24 24 ASN H H 1 8.301 0.02 . 1 . . . . . 103 ASN H . 50239 1 127 . 1 . 1 24 24 ASN HA H 1 4.869 0.02 . 1 . . . . . 103 ASN HA . 50239 1 128 . 1 . 1 24 24 ASN C C 13 175.984 0.3 . 1 . . . . . 103 ASN C . 50239 1 129 . 1 . 1 24 24 ASN CA C 13 52.838 0.3 . 1 . . . . . 103 ASN CA . 50239 1 130 . 1 . 1 24 24 ASN CB C 13 39.192 0.3 . 1 . . . . . 103 ASN CB . 50239 1 131 . 1 . 1 24 24 ASN N N 15 117.173 0.3 . 1 . . . . . 103 ASN N . 50239 1 132 . 1 . 1 25 25 GLY H H 1 8.261 0.02 . 1 . . . . . 104 GLY H . 50239 1 133 . 1 . 1 25 25 GLY HA2 H 1 3.542 0.02 . 2 . . . . . 104 GLY HA2 . 50239 1 134 . 1 . 1 25 25 GLY HA3 H 1 4.2 0.02 . 2 . . . . . 104 GLY HA3 . 50239 1 135 . 1 . 1 25 25 GLY C C 13 174.44 0.3 . 1 . . . . . 104 GLY C . 50239 1 136 . 1 . 1 25 25 GLY CA C 13 45.628 0.3 . 1 . . . . . 104 GLY CA . 50239 1 137 . 1 . 1 25 25 GLY N N 15 109.336 0.3 . 1 . . . . . 104 GLY N . 50239 1 138 . 1 . 1 26 26 GLU H H 1 8.256 0.02 . 1 . . . . . 105 GLU H . 50239 1 139 . 1 . 1 26 26 GLU HA H 1 4.405 0.02 . 1 . . . . . 105 GLU HA . 50239 1 140 . 1 . 1 26 26 GLU C C 13 175.981 0.3 . 1 . . . . . 105 GLU C . 50239 1 141 . 1 . 1 26 26 GLU CA C 13 55.711 0.3 . 1 . . . . . 105 GLU CA . 50239 1 142 . 1 . 1 26 26 GLU CB C 13 31.178 0.3 . 1 . . . . . 105 GLU CB . 50239 1 143 . 1 . 1 26 26 GLU N N 15 123.377 0.3 . 1 . . . . . 105 GLU N . 50239 1 144 . 1 . 1 27 27 THR H H 1 8.747 0.02 . 1 . . . . . 106 THR H . 50239 1 145 . 1 . 1 27 27 THR HA H 1 4.547 0.02 . 1 . . . . . 106 THR HA . 50239 1 146 . 1 . 1 27 27 THR C C 13 174.359 0.3 . 1 . . . . . 106 THR C . 50239 1 147 . 1 . 1 27 27 THR CA C 13 63.936 0.3 . 1 . . . . . 106 THR CA . 50239 1 148 . 1 . 1 27 27 THR CB C 13 68.926 0.3 . 1 . . . . . 106 THR CB . 50239 1 149 . 1 . 1 27 27 THR N N 15 121.685 0.3 . 1 . . . . . 106 THR N . 50239 1 150 . 1 . 1 28 28 LYS H H 1 9.044 0.02 . 1 . . . . . 107 LYS H . 50239 1 151 . 1 . 1 28 28 LYS HA H 1 4.639 0.02 . 1 . . . . . 107 LYS HA . 50239 1 152 . 1 . 1 28 28 LYS C C 13 174.906 0.3 . 1 . . . . . 107 LYS C . 50239 1 153 . 1 . 1 28 28 LYS CA C 13 53.477 0.3 . 1 . . . . . 107 LYS CA . 50239 1 154 . 1 . 1 28 28 LYS CB C 13 35.846 0.3 . 1 . . . . . 107 LYS CB . 50239 1 155 . 1 . 1 28 28 LYS N N 15 130.244 0.3 . 1 . . . . . 107 LYS N . 50239 1 156 . 1 . 1 29 29 THR H H 1 8.118 0.02 . 1 . . . . . 108 THR H . 50239 1 157 . 1 . 1 29 29 THR HA H 1 5.58 0.02 . 1 . . . . . 108 THR HA . 50239 1 158 . 1 . 1 29 29 THR C C 13 174.834 0.3 . 1 . . . . . 108 THR C . 50239 1 159 . 1 . 1 29 29 THR CA C 13 60.062 0.3 . 1 . . . . . 108 THR CA . 50239 1 160 . 1 . 1 29 29 THR CB C 13 72.296 0.3 . 1 . . . . . 108 THR CB . 50239 1 161 . 1 . 1 29 29 THR N N 15 109.283 0.3 . 1 . . . . . 108 THR N . 50239 1 162 . 1 . 1 30 30 TRP H H 1 9.317 0.02 . 1 . . . . . 109 TRP H . 50239 1 163 . 1 . 1 30 30 TRP HA H 1 5.71 0.02 . 1 . . . . . 109 TRP HA . 50239 1 164 . 1 . 1 30 30 TRP C C 13 176.3 0.3 . 1 . . . . . 109 TRP C . 50239 1 165 . 1 . 1 30 30 TRP CA C 13 55.452 0.3 . 1 . . . . . 109 TRP CA . 50239 1 166 . 1 . 1 30 30 TRP CB C 13 32.802 0.3 . 1 . . . . . 109 TRP CB . 50239 1 167 . 1 . 1 30 30 TRP N N 15 123.137 0.3 . 1 . . . . . 109 TRP N . 50239 1 168 . 1 . 1 31 31 THR H H 1 10.297 0.02 . 1 . . . . . 110 THR H . 50239 1 169 . 1 . 1 31 31 THR HA H 1 4.407 0.02 . 1 . . . . . 110 THR HA . 50239 1 170 . 1 . 1 31 31 THR C C 13 175.172 0.3 . 1 . . . . . 110 THR C . 50239 1 171 . 1 . 1 31 31 THR CA C 13 62.543 0.3 . 1 . . . . . 110 THR CA . 50239 1 172 . 1 . 1 31 31 THR CB C 13 70.407 0.3 . 1 . . . . . 110 THR CB . 50239 1 173 . 1 . 1 31 31 THR N N 15 110.508 0.3 . 1 . . . . . 110 THR N . 50239 1 174 . 1 . 1 32 32 GLY H H 1 10.311 0.02 . 1 . . . . . 111 GLY H . 50239 1 175 . 1 . 1 32 32 GLY HA2 H 1 0.911 0.02 . 2 . . . . . 111 GLY HA2 . 50239 1 176 . 1 . 1 32 32 GLY HA3 H 1 3.664 0.02 . 2 . . . . . 111 GLY HA3 . 50239 1 177 . 1 . 1 32 32 GLY C C 13 172.697 0.3 . 1 . . . . . 111 GLY C . 50239 1 178 . 1 . 1 32 32 GLY CA C 13 44.565 0.3 . 1 . . . . . 111 GLY CA . 50239 1 179 . 1 . 1 32 32 GLY N N 15 109.727 0.3 . 1 . . . . . 111 GLY N . 50239 1 180 . 1 . 1 33 33 GLN H H 1 7.136 0.02 . 1 . . . . . 112 GLN H . 50239 1 181 . 1 . 1 33 33 GLN HA H 1 4.506 0.02 . 1 . . . . . 112 GLN HA . 50239 1 182 . 1 . 1 33 33 GLN C C 13 176.635 0.3 . 1 . . . . . 112 GLN C . 50239 1 183 . 1 . 1 33 33 GLN CA C 13 54.66 0.3 . 1 . . . . . 112 GLN CA . 50239 1 184 . 1 . 1 33 33 GLN CB C 13 30.467 0.3 . 1 . . . . . 112 GLN CB . 50239 1 185 . 1 . 1 33 33 GLN N N 15 118.559 0.3 . 1 . . . . . 112 GLN N . 50239 1 186 . 1 . 1 34 34 GLY H H 1 8.805 0.02 . 1 . . . . . 113 GLY H . 50239 1 187 . 1 . 1 34 34 GLY HA2 H 1 3.814 0.02 . 2 . . . . . 113 GLY HA2 . 50239 1 188 . 1 . 1 34 34 GLY HA3 H 1 4.273 0.02 . 2 . . . . . 113 GLY HA3 . 50239 1 189 . 1 . 1 34 34 GLY C C 13 174.085 0.3 . 1 . . . . . 113 GLY C . 50239 1 190 . 1 . 1 34 34 GLY CA C 13 45.107 0.3 . 1 . . . . . 113 GLY CA . 50239 1 191 . 1 . 1 34 34 GLY N N 15 112.409 0.3 . 1 . . . . . 113 GLY N . 50239 1 192 . 1 . 1 35 35 ARG H H 1 8.402 0.02 . 1 . . . . . 114 ARG H . 50239 1 193 . 1 . 1 35 35 ARG HA H 1 4.139 0.02 . 1 . . . . . 114 ARG HA . 50239 1 194 . 1 . 1 35 35 ARG C C 13 176.472 0.3 . 1 . . . . . 114 ARG C . 50239 1 195 . 1 . 1 35 35 ARG CA C 13 56.464 0.3 . 1 . . . . . 114 ARG CA . 50239 1 196 . 1 . 1 35 35 ARG CB C 13 30.744 0.3 . 1 . . . . . 114 ARG CB . 50239 1 197 . 1 . 1 35 35 ARG N N 15 122.437 0.3 . 1 . . . . . 114 ARG N . 50239 1 198 . 1 . 1 36 36 THR H H 1 8.277 0.02 . 1 . . . . . 115 THR H . 50239 1 199 . 1 . 1 36 36 THR HA H 1 3.229 0.02 . 1 . . . . . 115 THR HA . 50239 1 200 . 1 . 1 36 36 THR C C 13 172.259 0.3 . 1 . . . . . 115 THR C . 50239 1 201 . 1 . 1 36 36 THR CA C 13 60.789 0.3 . 1 . . . . . 115 THR CA . 50239 1 202 . 1 . 1 36 36 THR CB C 13 69.441 0.3 . 1 . . . . . 115 THR CB . 50239 1 203 . 1 . 1 36 36 THR N N 15 122.972 0.3 . 1 . . . . . 115 THR N . 50239 1 204 . 1 . 1 37 37 PRO HA H 1 3.843 0.02 . 1 . . . . . 116 PRO HA . 50239 1 205 . 1 . 1 37 37 PRO C C 13 176.649 0.3 . 1 . . . . . 116 PRO C . 50239 1 206 . 1 . 1 37 37 PRO CA C 13 62.608 0.3 . 1 . . . . . 116 PRO CA . 50239 1 207 . 1 . 1 37 37 PRO CB C 13 31.788 0.3 . 1 . . . . . 116 PRO CB . 50239 1 208 . 1 . 1 38 38 ALA H H 1 8.57 0.02 . 1 . . . . . 117 ALA H . 50239 1 209 . 1 . 1 38 38 ALA HA H 1 3.749 0.02 . 1 . . . . . 117 ALA HA . 50239 1 210 . 1 . 1 38 38 ALA C C 13 180.088 0.3 . 1 . . . . . 117 ALA C . 50239 1 211 . 1 . 1 38 38 ALA CA C 13 56.02 0.3 . 1 . . . . . 117 ALA CA . 50239 1 212 . 1 . 1 38 38 ALA CB C 13 18.341 0.3 . 1 . . . . . 117 ALA CB . 50239 1 213 . 1 . 1 38 38 ALA N N 15 129.666 0.3 . 1 . . . . . 117 ALA N . 50239 1 214 . 1 . 1 39 39 VAL H H 1 8.364 0.02 . 1 . . . . . 118 VAL H . 50239 1 215 . 1 . 1 39 39 VAL HA H 1 3.575 0.02 . 1 . . . . . 118 VAL HA . 50239 1 216 . 1 . 1 39 39 VAL C C 13 178.625 0.3 . 1 . . . . . 118 VAL C . 50239 1 217 . 1 . 1 39 39 VAL CA C 13 66.256 0.3 . 1 . . . . . 118 VAL CA . 50239 1 218 . 1 . 1 39 39 VAL CB C 13 32.636 0.3 . 1 . . . . . 118 VAL CB . 50239 1 219 . 1 . 1 39 39 VAL N N 15 115.817 0.3 . 1 . . . . . 118 VAL N . 50239 1 220 . 1 . 1 40 40 ILE H H 1 6.005 0.02 . 1 . . . . . 119 ILE H . 50239 1 221 . 1 . 1 40 40 ILE HA H 1 2.956 0.02 . 1 . . . . . 119 ILE HA . 50239 1 222 . 1 . 1 40 40 ILE C C 13 176.519 0.3 . 1 . . . . . 119 ILE C . 50239 1 223 . 1 . 1 40 40 ILE CA C 13 64.687 0.3 . 1 . . . . . 119 ILE CA . 50239 1 224 . 1 . 1 40 40 ILE CB C 13 37.16 0.3 . 1 . . . . . 119 ILE CB . 50239 1 225 . 1 . 1 40 40 ILE N N 15 119.768 0.3 . 1 . . . . . 119 ILE N . 50239 1 226 . 1 . 1 41 41 LYS H H 1 7.715 0.02 . 1 . . . . . 120 LYS H . 50239 1 227 . 1 . 1 41 41 LYS HA H 1 3.782 0.02 . 1 . . . . . 120 LYS HA . 50239 1 228 . 1 . 1 41 41 LYS C C 13 178.364 0.3 . 1 . . . . . 120 LYS C . 50239 1 229 . 1 . 1 41 41 LYS CA C 13 59.697 0.3 . 1 . . . . . 120 LYS CA . 50239 1 230 . 1 . 1 41 41 LYS CB C 13 32.755 0.3 . 1 . . . . . 120 LYS CB . 50239 1 231 . 1 . 1 41 41 LYS N N 15 121.417 0.3 . 1 . . . . . 120 LYS N . 50239 1 232 . 1 . 1 42 42 LYS H H 1 8.123 0.02 . 1 . . . . . 121 LYS H . 50239 1 233 . 1 . 1 42 42 LYS HA H 1 4.069 0.02 . 1 . . . . . 121 LYS HA . 50239 1 234 . 1 . 1 42 42 LYS C C 13 178.342 0.3 . 1 . . . . . 121 LYS C . 50239 1 235 . 1 . 1 42 42 LYS CA C 13 59.401 0.3 . 1 . . . . . 121 LYS CA . 50239 1 236 . 1 . 1 42 42 LYS CB C 13 32.658 0.3 . 1 . . . . . 121 LYS CB . 50239 1 237 . 1 . 1 42 42 LYS N N 15 118.211 0.3 . 1 . . . . . 121 LYS N . 50239 1 238 . 1 . 1 43 43 ALA H H 1 7.477 0.02 . 1 . . . . . 122 ALA H . 50239 1 239 . 1 . 1 43 43 ALA HA H 1 4.243 0.02 . 1 . . . . . 122 ALA HA . 50239 1 240 . 1 . 1 43 43 ALA C C 13 181.455 0.3 . 1 . . . . . 122 ALA C . 50239 1 241 . 1 . 1 43 43 ALA CA C 13 55.145 0.3 . 1 . . . . . 122 ALA CA . 50239 1 242 . 1 . 1 43 43 ALA CB C 13 18.828 0.3 . 1 . . . . . 122 ALA CB . 50239 1 243 . 1 . 1 43 43 ALA N N 15 122.066 0.3 . 1 . . . . . 122 ALA N . 50239 1 244 . 1 . 1 44 44 MET H H 1 8.347 0.02 . 1 . . . . . 123 MET H . 50239 1 245 . 1 . 1 44 44 MET HA H 1 4.433 0.02 . 1 . . . . . 123 MET HA . 50239 1 246 . 1 . 1 44 44 MET C C 13 178.771 0.3 . 1 . . . . . 123 MET C . 50239 1 247 . 1 . 1 44 44 MET CA C 13 59.126 0.3 . 1 . . . . . 123 MET CA . 50239 1 248 . 1 . 1 44 44 MET CB C 13 33.599 0.3 . 1 . . . . . 123 MET CB . 50239 1 249 . 1 . 1 44 44 MET N N 15 118.434 0.3 . 1 . . . . . 123 MET N . 50239 1 250 . 1 . 1 45 45 GLU H H 1 8.261 0.02 . 1 . . . . . 124 GLU H . 50239 1 251 . 1 . 1 45 45 GLU HA H 1 4.135 0.02 . 1 . . . . . 124 GLU HA . 50239 1 252 . 1 . 1 45 45 GLU C C 13 179.136 0.3 . 1 . . . . . 124 GLU C . 50239 1 253 . 1 . 1 45 45 GLU CA C 13 59.042 0.3 . 1 . . . . . 124 GLU CA . 50239 1 254 . 1 . 1 45 45 GLU CB C 13 30.635 0.3 . 1 . . . . . 124 GLU CB . 50239 1 255 . 1 . 1 45 45 GLU N N 15 118.414 0.3 . 1 . . . . . 124 GLU N . 50239 1 256 . 1 . 1 46 46 GLU H H 1 8.864 0.02 . 1 . . . . . 125 GLU H . 50239 1 257 . 1 . 1 46 46 GLU HA H 1 4.48 0.02 . 1 . . . . . 125 GLU HA . 50239 1 258 . 1 . 1 46 46 GLU C C 13 178.371 0.3 . 1 . . . . . 125 GLU C . 50239 1 259 . 1 . 1 46 46 GLU CA C 13 57.703 0.3 . 1 . . . . . 125 GLU CA . 50239 1 260 . 1 . 1 46 46 GLU CB C 13 31.357 0.3 . 1 . . . . . 125 GLU CB . 50239 1 261 . 1 . 1 46 46 GLU N N 15 115.606 0.3 . 1 . . . . . 125 GLU N . 50239 1 262 . 1 . 1 47 47 GLN H H 1 7.494 0.02 . 1 . . . . . 126 GLN H . 50239 1 263 . 1 . 1 47 47 GLN HA H 1 4.729 0.02 . 1 . . . . . 126 GLN HA . 50239 1 264 . 1 . 1 47 47 GLN C C 13 176.981 0.3 . 1 . . . . . 126 GLN C . 50239 1 265 . 1 . 1 47 47 GLN CA C 13 55.188 0.3 . 1 . . . . . 126 GLN CA . 50239 1 266 . 1 . 1 47 47 GLN CB C 13 30.359 0.3 . 1 . . . . . 126 GLN CB . 50239 1 267 . 1 . 1 47 47 GLN N N 15 114.702 0.3 . 1 . . . . . 126 GLN N . 50239 1 268 . 1 . 1 48 48 GLY H H 1 7.726 0.02 . 1 . . . . . 127 GLY H . 50239 1 269 . 1 . 1 48 48 GLY HA2 H 1 3.992 0.02 . 1 . . . . . 127 GLY HA2 . 50239 1 270 . 1 . 1 48 48 GLY HA3 H 1 3.992 0.02 . 1 . . . . . 127 GLY HA3 . 50239 1 271 . 1 . 1 48 48 GLY C C 13 175.23 0.3 . 1 . . . . . 127 GLY C . 50239 1 272 . 1 . 1 48 48 GLY CA C 13 46.906 0.3 . 1 . . . . . 127 GLY CA . 50239 1 273 . 1 . 1 48 48 GLY N N 15 109.1 0.3 . 1 . . . . . 127 GLY N . 50239 1 274 . 1 . 1 49 49 LYS H H 1 7.375 0.02 . 1 . . . . . 128 LYS H . 50239 1 275 . 1 . 1 49 49 LYS HA H 1 4.449 0.02 . 1 . . . . . 128 LYS HA . 50239 1 276 . 1 . 1 49 49 LYS C C 13 175.275 0.3 . 1 . . . . . 128 LYS C . 50239 1 277 . 1 . 1 49 49 LYS CA C 13 55.377 0.3 . 1 . . . . . 128 LYS CA . 50239 1 278 . 1 . 1 49 49 LYS CB C 13 33.226 0.3 . 1 . . . . . 128 LYS CB . 50239 1 279 . 1 . 1 49 49 LYS N N 15 118.04 0.3 . 1 . . . . . 128 LYS N . 50239 1 280 . 1 . 1 50 50 GLN H H 1 9.05 0.02 . 1 . . . . . 129 GLN H . 50239 1 281 . 1 . 1 50 50 GLN HA H 1 4.746 0.02 . 1 . . . . . 129 GLN HA . 50239 1 282 . 1 . 1 50 50 GLN C C 13 177.394 0.3 . 1 . . . . . 129 GLN C . 50239 1 283 . 1 . 1 50 50 GLN CA C 13 53.671 0.3 . 1 . . . . . 129 GLN CA . 50239 1 284 . 1 . 1 50 50 GLN CB C 13 31.491 0.3 . 1 . . . . . 129 GLN CB . 50239 1 285 . 1 . 1 50 50 GLN N N 15 119.205 0.3 . 1 . . . . . 129 GLN N . 50239 1 286 . 1 . 1 51 51 LEU H H 1 9.048 0.02 . 1 . . . . . 130 LEU H . 50239 1 287 . 1 . 1 51 51 LEU HA H 1 4.171 0.02 . 1 . . . . . 130 LEU HA . 50239 1 288 . 1 . 1 51 51 LEU C C 13 179.518 0.3 . 1 . . . . . 130 LEU C . 50239 1 289 . 1 . 1 51 51 LEU CA C 13 59.206 0.3 . 1 . . . . . 130 LEU CA . 50239 1 290 . 1 . 1 51 51 LEU CB C 13 41.111 0.3 . 1 . . . . . 130 LEU CB . 50239 1 291 . 1 . 1 51 51 LEU N N 15 125.222 0.3 . 1 . . . . . 130 LEU N . 50239 1 292 . 1 . 1 52 52 GLU H H 1 8.929 0.02 . 1 . . . . . 131 GLU H . 50239 1 293 . 1 . 1 52 52 GLU HA H 1 4.213 0.02 . 1 . . . . . 131 GLU HA . 50239 1 294 . 1 . 1 52 52 GLU C C 13 178.534 0.3 . 1 . . . . . 131 GLU C . 50239 1 295 . 1 . 1 52 52 GLU CA C 13 59.754 0.3 . 1 . . . . . 131 GLU CA . 50239 1 296 . 1 . 1 52 52 GLU CB C 13 29.143 0.3 . 1 . . . . . 131 GLU CB . 50239 1 297 . 1 . 1 52 52 GLU N N 15 114.452 0.3 . 1 . . . . . 131 GLU N . 50239 1 298 . 1 . 1 53 53 ASP H H 1 8.036 0.02 . 1 . . . . . 132 ASP H . 50239 1 299 . 1 . 1 53 53 ASP HA H 1 4.467 0.02 . 1 . . . . . 132 ASP HA . 50239 1 300 . 1 . 1 53 53 ASP C C 13 177.18 0.3 . 1 . . . . . 132 ASP C . 50239 1 301 . 1 . 1 53 53 ASP CA C 13 57.277 0.3 . 1 . . . . . 132 ASP CA . 50239 1 302 . 1 . 1 53 53 ASP CB C 13 40.593 0.3 . 1 . . . . . 132 ASP CB . 50239 1 303 . 1 . 1 53 53 ASP N N 15 120.025 0.3 . 1 . . . . . 132 ASP N . 50239 1 304 . 1 . 1 54 54 PHE H H 1 8.43 0.02 . 1 . . . . . 133 PHE H . 50239 1 305 . 1 . 1 54 54 PHE HA H 1 4.888 0.02 . 1 . . . . . 133 PHE HA . 50239 1 306 . 1 . 1 54 54 PHE C C 13 175.33 0.3 . 1 . . . . . 133 PHE C . 50239 1 307 . 1 . 1 54 54 PHE CA C 13 58.322 0.3 . 1 . . . . . 133 PHE CA . 50239 1 308 . 1 . 1 54 54 PHE CB C 13 39.404 0.3 . 1 . . . . . 133 PHE CB . 50239 1 309 . 1 . 1 54 54 PHE N N 15 117.727 0.3 . 1 . . . . . 133 PHE N . 50239 1 310 . 1 . 1 55 55 LEU H H 1 7.405 0.02 . 1 . . . . . 134 LEU H . 50239 1 311 . 1 . 1 55 55 LEU HA H 1 4.296 0.02 . 1 . . . . . 134 LEU HA . 50239 1 312 . 1 . 1 55 55 LEU C C 13 178.01 0.3 . 1 . . . . . 134 LEU C . 50239 1 313 . 1 . 1 55 55 LEU CA C 13 56.225 0.3 . 1 . . . . . 134 LEU CA . 50239 1 314 . 1 . 1 55 55 LEU CB C 13 43.859 0.3 . 1 . . . . . 134 LEU CB . 50239 1 315 . 1 . 1 55 55 LEU N N 15 123.361 0.3 . 1 . . . . . 134 LEU N . 50239 1 316 . 1 . 1 56 56 ILE H H 1 8.314 0.02 . 1 . . . . . 135 ILE H . 50239 1 317 . 1 . 1 56 56 ILE HA H 1 4.047 0.02 . 1 . . . . . 135 ILE HA . 50239 1 318 . 1 . 1 56 56 ILE C C 13 176.111 0.3 . 1 . . . . . 135 ILE C . 50239 1 319 . 1 . 1 56 56 ILE CA C 13 62.227 0.3 . 1 . . . . . 135 ILE CA . 50239 1 320 . 1 . 1 56 56 ILE CB C 13 38.704 0.3 . 1 . . . . . 135 ILE CB . 50239 1 321 . 1 . 1 56 56 ILE N N 15 125.434 0.3 . 1 . . . . . 135 ILE N . 50239 1 322 . 1 . 1 57 57 LYS H H 1 8.566 0.02 . 1 . . . . . 136 LYS H . 50239 1 323 . 1 . 1 57 57 LYS HA H 1 4.35 0.02 . 1 . . . . . 136 LYS HA . 50239 1 324 . 1 . 1 57 57 LYS C C 13 175.547 0.3 . 1 . . . . . 136 LYS C . 50239 1 325 . 1 . 1 57 57 LYS CA C 13 56.317 0.3 . 1 . . . . . 136 LYS CA . 50239 1 326 . 1 . 1 57 57 LYS CB C 13 33.115 0.3 . 1 . . . . . 136 LYS CB . 50239 1 327 . 1 . 1 57 57 LYS N N 15 129.393 0.3 . 1 . . . . . 136 LYS N . 50239 1 328 . 1 . 1 58 58 GLU H H 1 7.957 0.02 . 1 . . . . . 137 GLU H . 50239 1 329 . 1 . 1 58 58 GLU HA H 1 4.128 0.02 . 1 . . . . . 137 GLU HA . 50239 1 330 . 1 . 1 58 58 GLU C C 13 181.066 0.3 . 1 . . . . . 137 GLU C . 50239 1 331 . 1 . 1 58 58 GLU CA C 13 58.073 0.3 . 1 . . . . . 137 GLU CA . 50239 1 332 . 1 . 1 58 58 GLU CB C 13 31.392 0.3 . 1 . . . . . 137 GLU CB . 50239 1 333 . 1 . 1 58 58 GLU N N 15 128.393 0.3 . 1 . . . . . 137 GLU N . 50239 1 334 . 1 . 1 59 59 LEU HA H 1 4.268 0.02 . 1 . . . . . 138 LEU HA . 50239 1 335 . 1 . 1 59 59 LEU CA C 13 55.365 0.3 . 1 . . . . . 138 LEU CA . 50239 1 336 . 1 . 1 59 59 LEU CB C 13 42.532 0.3 . 1 . . . . . 138 LEU CB . 50239 1 337 . 1 . 1 59 59 LEU N N 15 123.212 0.3 . 1 . . . . . 138 LEU N . 50239 1 338 . 1 . 1 60 60 GLU HA H 1 4.166 0.02 . 1 . . . . . 139 GLU HA . 50239 1 339 . 1 . 1 60 60 GLU CA C 13 56.612 0.3 . 1 . . . . . 139 GLU CA . 50239 1 340 . 1 . 1 60 60 GLU CB C 13 30.526 0.3 . 1 . . . . . 139 GLU CB . 50239 1 341 . 1 . 1 60 60 GLU N N 15 121.622 0.3 . 1 . . . . . 139 GLU N . 50239 1 stop_ save_