################################### # 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 30810 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 30810 1 2 '3D HNCACB' . . . 30810 1 3 '3D HNCA' . . . 30810 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 3 3 LEU H H 1 8.362 0.020 . 1 . . . . A 958 LEU H . 30810 1 2 . 1 . 1 3 3 LEU CA C 13 55.283 0.3 . 1 . . . . A 958 LEU CA . 30810 1 3 . 1 . 1 3 3 LEU CB C 13 40.655 0.3 . 1 . . . . A 958 LEU CB . 30810 1 4 . 1 . 1 3 3 LEU N N 15 120.618 0.3 . 1 . . . . A 958 LEU N . 30810 1 5 . 1 . 1 4 4 GLU H H 1 8.292 0.020 . 1 . . . . A 959 GLU H . 30810 1 6 . 1 . 1 4 4 GLU CA C 13 56.278 0.3 . 1 . . . . A 959 GLU CA . 30810 1 7 . 1 . 1 4 4 GLU CB C 13 29.133 0.3 . 1 . . . . A 959 GLU CB . 30810 1 8 . 1 . 1 4 4 GLU N N 15 121.205 0.3 . 1 . . . . A 959 GLU N . 30810 1 9 . 1 . 1 5 5 GLU H H 1 8.208 0.020 . 1 . . . . A 960 GLU H . 30810 1 10 . 1 . 1 5 5 GLU CA C 13 56.356 0.3 . 1 . . . . A 960 GLU CA . 30810 1 11 . 1 . 1 5 5 GLU CB C 13 29.343 0.3 . 1 . . . . A 960 GLU CB . 30810 1 12 . 1 . 1 5 5 GLU N N 15 121.124 0.3 . 1 . . . . A 960 GLU N . 30810 1 13 . 1 . 1 6 6 ARG H H 1 8.204 0.020 . 1 . . . . A 961 ARG H . 30810 1 14 . 1 . 1 6 6 ARG CA C 13 56.330 0.3 . 1 . . . . A 961 ARG CA . 30810 1 15 . 1 . 1 6 6 ARG CB C 13 29.395 0.3 . 1 . . . . A 961 ARG CB . 30810 1 16 . 1 . 1 6 6 ARG N N 15 122.713 0.3 . 1 . . . . A 961 ARG N . 30810 1 17 . 1 . 1 8 8 GLY H H 1 8.198 0.020 . 1 . . . . A 963 GLY H . 30810 1 18 . 1 . 1 8 8 GLY CA C 13 44.217 0.3 . 1 . . . . A 963 GLY CA . 30810 1 19 . 1 . 1 8 8 GLY N N 15 110.397 0.3 . 1 . . . . A 963 GLY N . 30810 1 20 . 1 . 1 9 9 ILE H H 1 8.256 0.020 . 1 . . . . A 964 ILE H . 30810 1 21 . 1 . 1 9 9 ILE CA C 13 56.906 0.3 . 1 . . . . A 964 ILE CA . 30810 1 22 . 1 . 1 9 9 ILE CB C 13 37.356 0.3 . 1 . . . . A 964 ILE CB . 30810 1 23 . 1 . 1 9 9 ILE N N 15 122.243 0.3 . 1 . . . . A 964 ILE N . 30810 1 24 . 1 . 1 10 10 PRO CA C 13 61.541 0.3 . 1 . . . . A 965 PRO CA . 30810 1 25 . 1 . 1 10 10 PRO CB C 13 31.490 0.3 . 1 . . . . A 965 PRO CB . 30810 1 26 . 1 . 1 11 11 ILE H H 1 8.766 0.020 . 1 . . . . A 966 ILE H . 30810 1 27 . 1 . 1 11 11 ILE CA C 13 63.165 0.3 . 1 . . . . A 966 ILE CA . 30810 1 28 . 1 . 1 11 11 ILE CB C 13 36.360 0.3 . 1 . . . . A 966 ILE CB . 30810 1 29 . 1 . 1 11 11 ILE N N 15 123.834 0.3 . 1 . . . . A 966 ILE N . 30810 1 30 . 1 . 1 12 12 TRP H H 1 8.177 0.020 . 1 . . . . A 967 TRP H . 30810 1 31 . 1 . 1 12 12 TRP CA C 13 59.289 0.3 . 1 . . . . A 967 TRP CA . 30810 1 32 . 1 . 1 12 12 TRP CB C 13 27.510 0.3 . 1 . . . . A 967 TRP CB . 30810 1 33 . 1 . 1 12 12 TRP N N 15 117.797 0.3 . 1 . . . . A 967 TRP N . 30810 1 34 . 1 . 1 13 13 VAL H H 1 6.572 0.020 . 1 . . . . A 968 VAL H . 30810 1 35 . 1 . 1 13 13 VAL HB H 1 1.733 0.020 . 1 . . . . A 968 VAL HB . 30810 1 36 . 1 . 1 13 13 VAL HG11 H 1 0.634 0.020 . 1 . . . . A 968 VAL HG11 . 30810 1 37 . 1 . 1 13 13 VAL HG12 H 1 0.634 0.020 . 1 . . . . A 968 VAL HG12 . 30810 1 38 . 1 . 1 13 13 VAL HG13 H 1 0.634 0.020 . 1 . . . . A 968 VAL HG13 . 30810 1 39 . 1 . 1 13 13 VAL HG21 H 1 0.976 0.020 . 1 . . . . A 968 VAL HG21 . 30810 1 40 . 1 . 1 13 13 VAL HG22 H 1 0.976 0.020 . 1 . . . . A 968 VAL HG22 . 30810 1 41 . 1 . 1 13 13 VAL HG23 H 1 0.976 0.020 . 1 . . . . A 968 VAL HG23 . 30810 1 42 . 1 . 1 13 13 VAL CA C 13 65.574 0.3 . 1 . . . . A 968 VAL CA . 30810 1 43 . 1 . 1 13 13 VAL CB C 13 29.866 0.3 . 1 . . . . A 968 VAL CB . 30810 1 44 . 1 . 1 13 13 VAL N N 15 121.495 0.3 . 1 . . . . A 968 VAL N . 30810 1 45 . 1 . 1 14 14 VAL H H 1 6.923 0.020 . 1 . . . . A 969 VAL H . 30810 1 46 . 1 . 1 14 14 VAL CA C 13 65.970 0.3 . 1 . . . . A 969 VAL CA . 30810 1 47 . 1 . 1 14 14 VAL CB C 13 30.297 0.3 . 1 . . . . A 969 VAL CB . 30810 1 48 . 1 . 1 14 14 VAL N N 15 118.857 0.3 . 1 . . . . A 969 VAL N . 30810 1 49 . 1 . 1 15 15 LEU H H 1 7.853 0.020 . 1 . . . . A 970 LEU H . 30810 1 50 . 1 . 1 15 15 LEU CA C 13 58.029 0.3 . 1 . . . . A 970 LEU CA . 30810 1 51 . 1 . 1 15 15 LEU CB C 13 40.279 0.3 . 1 . . . . A 970 LEU CB . 30810 1 52 . 1 . 1 15 15 LEU N N 15 117.668 0.3 . 1 . . . . A 970 LEU N . 30810 1 53 . 1 . 1 16 16 VAL H H 1 8.472 0.020 . 1 . . . . A 971 VAL H . 30810 1 54 . 1 . 1 16 16 VAL CA C 13 66.621 0.3 . 1 . . . . A 971 VAL CA . 30810 1 55 . 1 . 1 16 16 VAL CB C 13 29.971 0.3 . 1 . . . . A 971 VAL CB . 30810 1 56 . 1 . 1 16 16 VAL N N 15 118.414 0.3 . 1 . . . . A 971 VAL N . 30810 1 57 . 1 . 1 17 17 GLY H H 1 8.263 0.020 . 1 . . . . A 972 GLY H . 30810 1 58 . 1 . 1 17 17 GLY HA2 H 1 3.786 0.020 . 2 . . . . A 972 GLY HA2 . 30810 1 59 . 1 . 1 17 17 GLY HA3 H 1 3.552 0.020 . 2 . . . . A 972 GLY HA3 . 30810 1 60 . 1 . 1 17 17 GLY CA C 13 47.118 0.3 . 1 . . . . A 972 GLY CA . 30810 1 61 . 1 . 1 17 17 GLY N N 15 108.479 0.3 . 1 . . . . A 972 GLY N . 30810 1 62 . 1 . 1 18 18 VAL H H 1 8.396 0.020 . 1 . . . . A 973 VAL H . 30810 1 63 . 1 . 1 18 18 VAL CA C 13 65.816 0.3 . 1 . . . . A 973 VAL CA . 30810 1 64 . 1 . 1 18 18 VAL CB C 13 30.238 0.3 . 1 . . . . A 973 VAL CB . 30810 1 65 . 1 . 1 18 18 VAL N N 15 122.704 0.3 . 1 . . . . A 973 VAL N . 30810 1 66 . 1 . 1 19 19 LEU H H 1 8.172 0.020 . 1 . . . . A 974 LEU H . 30810 1 67 . 1 . 1 19 19 LEU CA C 13 57.889 0.3 . 1 . . . . A 974 LEU CA . 30810 1 68 . 1 . 1 19 19 LEU CB C 13 40.342 0.3 . 1 . . . . A 974 LEU CB . 30810 1 69 . 1 . 1 19 19 LEU N N 15 119.294 0.3 . 1 . . . . A 974 LEU N . 30810 1 70 . 1 . 1 20 20 GLY H H 1 9.083 0.020 . 1 . . . . A 975 GLY H . 30810 1 71 . 1 . 1 20 20 GLY CA C 13 47.019 0.3 . 1 . . . . A 975 GLY CA . 30810 1 72 . 1 . 1 20 20 GLY N N 15 105.840 0.3 . 1 . . . . A 975 GLY N . 30810 1 73 . 1 . 1 21 21 GLY H H 1 8.560 0.020 . 1 . . . . A 976 GLY H . 30810 1 74 . 1 . 1 21 21 GLY CA C 13 47.244 0.3 . 1 . . . . A 976 GLY CA . 30810 1 75 . 1 . 1 21 21 GLY N N 15 109.223 0.3 . 1 . . . . A 976 GLY N . 30810 1 76 . 1 . 1 22 22 LEU H H 1 8.499 0.020 . 1 . . . . A 977 LEU H . 30810 1 77 . 1 . 1 22 22 LEU CA C 13 57.378 0.3 . 1 . . . . A 977 LEU CA . 30810 1 78 . 1 . 1 22 22 LEU CB C 13 40.617 0.3 . 1 . . . . A 977 LEU CB . 30810 1 79 . 1 . 1 22 22 LEU N N 15 120.878 0.3 . 1 . . . . A 977 LEU N . 30810 1 80 . 1 . 1 23 23 LEU H H 1 8.496 0.020 . 1 . . . . A 978 LEU H . 30810 1 81 . 1 . 1 23 23 LEU CA C 13 58.146 0.3 . 1 . . . . A 978 LEU CA . 30810 1 82 . 1 . 1 23 23 LEU CB C 13 40.454 0.3 . 1 . . . . A 978 LEU CB . 30810 1 83 . 1 . 1 23 23 LEU N N 15 123.099 0.3 . 1 . . . . A 978 LEU N . 30810 1 84 . 1 . 1 24 24 LEU H H 1 8.127 0.020 . 1 . . . . A 979 LEU H . 30810 1 85 . 1 . 1 24 24 LEU CA C 13 57.801 0.3 . 1 . . . . A 979 LEU CA . 30810 1 86 . 1 . 1 24 24 LEU CB C 13 40.707 0.3 . 1 . . . . A 979 LEU CB . 30810 1 87 . 1 . 1 24 24 LEU N N 15 118.426 0.3 . 1 . . . . A 979 LEU N . 30810 1 88 . 1 . 1 25 25 LEU H H 1 8.386 0.020 . 1 . . . . A 980 LEU H . 30810 1 89 . 1 . 1 25 25 LEU HA H 1 3.948 0.020 . 1 . . . . A 980 LEU HA . 30810 1 90 . 1 . 1 25 25 LEU HB2 H 1 1.832 0.020 . 1 . . . . A 980 LEU HB2 . 30810 1 91 . 1 . 1 25 25 LEU HB3 H 1 1.832 0.020 . 1 . . . . A 980 LEU HB3 . 30810 1 92 . 1 . 1 25 25 LEU HG H 1 1.624 0.020 . 1 . . . . A 980 LEU HG . 30810 1 93 . 1 . 1 25 25 LEU CA C 13 57.168 0.3 . 1 . . . . A 980 LEU CA . 30810 1 94 . 1 . 1 25 25 LEU CB C 13 40.760 0.3 . 1 . . . . A 980 LEU CB . 30810 1 95 . 1 . 1 25 25 LEU N N 15 118.683 0.3 . 1 . . . . A 980 LEU N . 30810 1 96 . 1 . 1 26 26 THR H H 1 8.062 0.020 . 1 . . . . A 981 THR H . 30810 1 97 . 1 . 1 26 26 THR HG1 H 1 4.128 0.020 . 1 . . . . A 981 THR HG1 . 30810 1 98 . 1 . 1 26 26 THR CA C 13 68.119 0.3 . 1 . . . . A 981 THR CA . 30810 1 99 . 1 . 1 26 26 THR CB C 13 67.074 0.3 . 1 . . . . A 981 THR CB . 30810 1 100 . 1 . 1 26 26 THR N N 15 116.689 0.3 . 1 . . . . A 981 THR N . 30810 1 101 . 1 . 1 27 27 ILE H H 1 7.670 0.020 . 1 . . . . A 982 ILE H . 30810 1 102 . 1 . 1 27 27 ILE CA C 13 64.984 0.3 . 1 . . . . A 982 ILE CA . 30810 1 103 . 1 . 1 27 27 ILE CB C 13 36.269 0.3 . 1 . . . . A 982 ILE CB . 30810 1 104 . 1 . 1 27 27 ILE N N 15 120.051 0.3 . 1 . . . . A 982 ILE N . 30810 1 105 . 1 . 1 28 28 LEU H H 1 7.991 0.020 . 1 . . . . A 983 LEU H . 30810 1 106 . 1 . 1 28 28 LEU HB2 H 1 1.624 0.020 . 1 . . . . A 983 LEU HB2 . 30810 1 107 . 1 . 1 28 28 LEU HB3 H 1 1.624 0.020 . 1 . . . . A 983 LEU HB3 . 30810 1 108 . 1 . 1 28 28 LEU CA C 13 57.991 0.3 . 1 . . . . A 983 LEU CA . 30810 1 109 . 1 . 1 28 28 LEU CB C 13 40.445 0.3 . 1 . . . . A 983 LEU CB . 30810 1 110 . 1 . 1 28 28 LEU N N 15 119.805 0.3 . 1 . . . . A 983 LEU N . 30810 1 111 . 1 . 1 29 29 VAL H H 1 8.774 0.020 . 1 . . . . A 984 VAL H . 30810 1 112 . 1 . 1 29 29 VAL CA C 13 66.813 0.3 . 1 . . . . A 984 VAL CA . 30810 1 113 . 1 . 1 29 29 VAL CB C 13 30.238 0.3 . 1 . . . . A 984 VAL CB . 30810 1 114 . 1 . 1 29 29 VAL N N 15 119.196 0.3 . 1 . . . . A 984 VAL N . 30810 1 115 . 1 . 1 30 30 LEU H H 1 8.322 0.020 . 1 . . . . A 985 LEU H . 30810 1 116 . 1 . 1 30 30 LEU CA C 13 58.088 0.3 . 1 . . . . A 985 LEU CA . 30810 1 117 . 1 . 1 30 30 LEU CB C 13 40.655 0.3 . 1 . . . . A 985 LEU CB . 30810 1 118 . 1 . 1 30 30 LEU N N 15 120.898 0.3 . 1 . . . . A 985 LEU N . 30810 1 119 . 1 . 1 31 31 ALA H H 1 8.318 0.020 . 1 . . . . A 986 ALA H . 30810 1 120 . 1 . 1 31 31 ALA CA C 13 55.163 0.3 . 1 . . . . A 986 ALA CA . 30810 1 121 . 1 . 1 31 31 ALA CB C 13 17.210 0.3 . 1 . . . . A 986 ALA CB . 30810 1 122 . 1 . 1 31 31 ALA N N 15 121.776 0.3 . 1 . . . . A 986 ALA N . 30810 1 123 . 1 . 1 32 32 MET H H 1 8.637 0.020 . 1 . . . . A 987 MET H . 30810 1 124 . 1 . 1 32 32 MET CA C 13 58.502 0.3 . 1 . . . . A 987 MET CA . 30810 1 125 . 1 . 1 32 32 MET CB C 13 32.340 0.3 . 1 . . . . A 987 MET CB . 30810 1 126 . 1 . 1 32 32 MET N N 15 116.395 0.3 . 1 . . . . A 987 MET N . 30810 1 127 . 1 . 1 33 33 TRP H H 1 9.280 0.020 . 1 . . . . A 988 TRP H . 30810 1 128 . 1 . 1 33 33 TRP CA C 13 60.026 0.3 . 1 . . . . A 988 TRP CA . 30810 1 129 . 1 . 1 33 33 TRP CB C 13 27.611 0.3 . 1 . . . . A 988 TRP CB . 30810 1 130 . 1 . 1 33 33 TRP N N 15 122.293 0.3 . 1 . . . . A 988 TRP N . 30810 1 131 . 1 . 1 34 34 LYS H H 1 8.413 0.020 . 1 . . . . A 989 LYS H . 30810 1 132 . 1 . 1 34 34 LYS CA C 13 57.940 0.3 . 1 . . . . A 989 LYS CA . 30810 1 133 . 1 . 1 34 34 LYS CB C 13 31.019 0.3 . 1 . . . . A 989 LYS CB . 30810 1 134 . 1 . 1 34 34 LYS N N 15 121.492 0.3 . 1 . . . . A 989 LYS N . 30810 1 135 . 1 . 1 35 35 VAL H H 1 7.577 0.020 . 1 . . . . A 990 VAL H . 30810 1 136 . 1 . 1 35 35 VAL CA C 13 61.161 0.3 . 1 . . . . A 990 VAL CA . 30810 1 137 . 1 . 1 35 35 VAL CB C 13 30.530 0.3 . 1 . . . . A 990 VAL CB . 30810 1 138 . 1 . 1 35 35 VAL N N 15 110.015 0.3 . 1 . . . . A 990 VAL N . 30810 1 139 . 1 . 1 36 36 GLY H H 1 7.534 0.020 . 1 . . . . A 991 GLY H . 30810 1 140 . 1 . 1 36 36 GLY CA C 13 45.644 0.3 . 1 . . . . A 991 GLY CA . 30810 1 141 . 1 . 1 36 36 GLY N N 15 107.160 0.3 . 1 . . . . A 991 GLY N . 30810 1 142 . 1 . 1 37 37 PHE H H 1 8.248 0.020 . 1 . . . . A 992 PHE H . 30810 1 143 . 1 . 1 37 37 PHE CA C 13 61.033 0.3 . 1 . . . . A 992 PHE CA . 30810 1 144 . 1 . 1 37 37 PHE CB C 13 40.550 0.3 . 1 . . . . A 992 PHE CB . 30810 1 145 . 1 . 1 37 37 PHE N N 15 120.961 0.3 . 1 . . . . A 992 PHE N . 30810 1 146 . 1 . 1 38 38 PHE H H 1 8.455 0.020 . 1 . . . . A 993 PHE H . 30810 1 147 . 1 . 1 38 38 PHE HE1 H 1 7.091 0.020 . 1 . . . . A 993 PHE HE1 . 30810 1 148 . 1 . 1 38 38 PHE HE2 H 1 7.091 0.020 . 1 . . . . A 993 PHE HE2 . 30810 1 149 . 1 . 1 38 38 PHE CA C 13 57.464 0.3 . 1 . . . . A 993 PHE CA . 30810 1 150 . 1 . 1 38 38 PHE CB C 13 37.769 0.3 . 1 . . . . A 993 PHE CB . 30810 1 151 . 1 . 1 38 38 PHE N N 15 111.983 0.3 . 1 . . . . A 993 PHE N . 30810 1 152 . 1 . 1 39 39 LYS H H 1 7.078 0.020 . 1 . . . . A 994 LYS H . 30810 1 153 . 1 . 1 39 39 LYS CA C 13 56.678 0.3 . 1 . . . . A 994 LYS CA . 30810 1 154 . 1 . 1 39 39 LYS CB C 13 31.961 0.3 . 1 . . . . A 994 LYS CB . 30810 1 155 . 1 . 1 39 39 LYS N N 15 120.235 0.3 . 1 . . . . A 994 LYS N . 30810 1 156 . 1 . 1 40 40 ARG H H 1 8.425 0.020 . 1 . . . . A 995 ARG H . 30810 1 157 . 1 . 1 40 40 ARG CA C 13 54.386 0.3 . 1 . . . . A 995 ARG CA . 30810 1 158 . 1 . 1 40 40 ARG CB C 13 31.385 0.3 . 1 . . . . A 995 ARG CB . 30810 1 159 . 1 . 1 40 40 ARG N N 15 123.257 0.3 . 1 . . . . A 995 ARG N . 30810 1 160 . 2 . 2 7 7 GLY H H 1 8.449 0.020 . 1 . . . . B 690 GLY H . 30810 1 161 . 2 . 2 7 7 GLY CA C 13 46.230 0.3 . 1 . . . . B 690 GLY CA . 30810 1 162 . 2 . 2 7 7 GLY N N 15 110.103 0.3 . 1 . . . . B 690 GLY N . 30810 1 163 . 2 . 2 8 8 PRO CA C 13 63.688 0.3 . 1 . . . . B 691 PRO CA . 30810 1 164 . 2 . 2 8 8 PRO CB C 13 30.914 0.3 . 1 . . . . B 691 PRO CB . 30810 1 165 . 2 . 2 9 9 ASP H H 1 8.149 0.020 . 1 . . . . B 692 ASP H . 30810 1 166 . 2 . 2 9 9 ASP CA C 13 55.597 0.3 . 1 . . . . B 692 ASP CA . 30810 1 167 . 2 . 2 9 9 ASP CB C 13 40.445 0.3 . 1 . . . . B 692 ASP CB . 30810 1 168 . 2 . 2 9 9 ASP N N 15 118.879 0.3 . 1 . . . . B 692 ASP N . 30810 1 169 . 2 . 2 10 10 ILE H H 1 8.248 0.020 . 1 . . . . B 693 ILE H . 30810 1 170 . 2 . 2 10 10 ILE CA C 13 64.448 0.3 . 1 . . . . B 693 ILE CA . 30810 1 171 . 2 . 2 10 10 ILE CB C 13 36.518 0.3 . 1 . . . . B 693 ILE CB . 30810 1 172 . 2 . 2 10 10 ILE N N 15 121.198 0.3 . 1 . . . . B 693 ILE N . 30810 1 173 . 2 . 2 11 11 LEU H H 1 8.281 0.020 . 1 . . . . B 694 LEU H . 30810 1 174 . 2 . 2 11 11 LEU CA C 13 57.639 0.3 . 1 . . . . B 694 LEU CA . 30810 1 175 . 2 . 2 11 11 LEU CB C 13 40.445 0.3 . 1 . . . . B 694 LEU CB . 30810 1 176 . 2 . 2 11 11 LEU N N 15 120.624 0.3 . 1 . . . . B 694 LEU N . 30810 1 177 . 2 . 2 12 12 VAL H H 1 7.853 0.020 . 1 . . . . B 695 VAL H . 30810 1 178 . 2 . 2 12 12 VAL CA C 13 66.542 0.3 . 1 . . . . B 695 VAL CA . 30810 1 179 . 2 . 2 12 12 VAL CB C 13 30.603 0.3 . 1 . . . . B 695 VAL CB . 30810 1 180 . 2 . 2 12 12 VAL N N 15 118.330 0.3 . 1 . . . . B 695 VAL N . 30810 1 181 . 2 . 2 13 13 VAL H H 1 7.923 0.020 . 1 . . . . B 696 VAL H . 30810 1 182 . 2 . 2 13 13 VAL CA C 13 66.971 0.3 . 1 . . . . B 696 VAL CA . 30810 1 183 . 2 . 2 13 13 VAL CB C 13 30.540 0.3 . 1 . . . . B 696 VAL CB . 30810 1 184 . 2 . 2 13 13 VAL N N 15 122.113 0.3 . 1 . . . . B 696 VAL N . 30810 1 185 . 2 . 2 14 14 LEU H H 1 8.327 0.020 . 1 . . . . B 697 LEU H . 30810 1 186 . 2 . 2 14 14 LEU HA H 1 3.759 0.020 . 1 . . . . B 697 LEU HA . 30810 1 187 . 2 . 2 14 14 LEU HB2 H 1 2.084 0.020 . 2 . . . . B 697 LEU HB2 . 30810 1 188 . 2 . 2 14 14 LEU HB3 H 1 1.877 0.020 . 2 . . . . B 697 LEU HB3 . 30810 1 189 . 2 . 2 14 14 LEU HG H 1 1.724 0.020 . 1 . . . . B 697 LEU HG . 30810 1 190 . 2 . 2 14 14 LEU CA C 13 58.818 0.3 . 1 . . . . B 697 LEU CA . 30810 1 191 . 2 . 2 14 14 LEU CB C 13 41.336 0.3 . 1 . . . . B 697 LEU CB . 30810 1 192 . 2 . 2 14 14 LEU N N 15 119.937 0.3 . 1 . . . . B 697 LEU N . 30810 1 193 . 2 . 2 15 15 LEU H H 1 8.378 0.020 . 1 . . . . B 698 LEU H . 30810 1 194 . 2 . 2 15 15 LEU CA C 13 57.378 0.3 . 1 . . . . B 698 LEU CA . 30810 1 195 . 2 . 2 15 15 LEU CB C 13 40.864 0.3 . 1 . . . . B 698 LEU CB . 30810 1 196 . 2 . 2 15 15 LEU N N 15 116.034 0.3 . 1 . . . . B 698 LEU N . 30810 1 197 . 2 . 2 16 16 SER H H 1 8.164 0.020 . 1 . . . . B 699 SER H . 30810 1 198 . 2 . 2 16 16 SER HG H 1 4.047 0.020 . 1 . . . . B 699 SER HG . 30810 1 199 . 2 . 2 16 16 SER CA C 13 63.059 0.3 . 1 . . . . B 699 SER CA . 30810 1 200 . 2 . 2 16 16 SER CB C 13 62.210 0.3 . 1 . . . . B 699 SER CB . 30810 1 201 . 2 . 2 16 16 SER N N 15 116.199 0.3 . 1 . . . . B 699 SER N . 30810 1 202 . 2 . 2 17 17 VAL H H 1 8.216 0.020 . 1 . . . . B 700 VAL H . 30810 1 203 . 2 . 2 17 17 VAL CA C 13 66.595 0.3 . 1 . . . . B 700 VAL CA . 30810 1 204 . 2 . 2 17 17 VAL CB C 13 30.914 0.3 . 1 . . . . B 700 VAL CB . 30810 1 205 . 2 . 2 17 17 VAL N N 15 121.542 0.3 . 1 . . . . B 700 VAL N . 30810 1 206 . 2 . 2 18 18 MET H H 1 7.925 0.020 . 1 . . . . B 701 MET H . 30810 1 207 . 2 . 2 18 18 MET HA H 1 3.813 0.020 . 1 . . . . B 701 MET HA . 30810 1 208 . 2 . 2 18 18 MET HB3 H 1 2.228 0.020 . 1 . . . . B 701 MET HB3 . 30810 1 209 . 2 . 2 18 18 MET HG2 H 1 2.876 0.020 . 2 . . . . B 701 MET HG2 . 30810 1 210 . 2 . 2 18 18 MET HG3 H 1 2.723 0.020 . 2 . . . . B 701 MET HG3 . 30810 1 211 . 2 . 2 18 18 MET HE1 H 1 1.895 0.020 . 1 . . . . B 701 MET HE1 . 30810 1 212 . 2 . 2 18 18 MET HE2 H 1 1.895 0.020 . 1 . . . . B 701 MET HE2 . 30810 1 213 . 2 . 2 18 18 MET HE3 H 1 1.895 0.020 . 1 . . . . B 701 MET HE3 . 30810 1 214 . 2 . 2 18 18 MET CA C 13 59.970 0.3 . 1 . . . . B 701 MET CA . 30810 1 215 . 2 . 2 18 18 MET CB C 13 33.031 0.3 . 1 . . . . B 701 MET CB . 30810 1 216 . 2 . 2 18 18 MET N N 15 116.921 0.3 . 1 . . . . B 701 MET N . 30810 1 217 . 2 . 2 19 19 GLY H H 1 8.711 0.020 . 1 . . . . B 702 GLY H . 30810 1 218 . 2 . 2 19 19 GLY CA C 13 46.612 0.3 . 1 . . . . B 702 GLY CA . 30810 1 219 . 2 . 2 19 19 GLY N N 15 104.700 0.3 . 1 . . . . B 702 GLY N . 30810 1 220 . 2 . 2 20 20 ALA H H 1 8.385 0.020 . 1 . . . . B 703 ALA H . 30810 1 221 . 2 . 2 20 20 ALA CA C 13 55.267 0.3 . 1 . . . . B 703 ALA CA . 30810 1 222 . 2 . 2 20 20 ALA CB C 13 17.271 0.3 . 1 . . . . B 703 ALA CB . 30810 1 223 . 2 . 2 20 20 ALA N N 15 123.509 0.3 . 1 . . . . B 703 ALA N . 30810 1 224 . 2 . 2 21 21 ILE H H 1 7.675 0.020 . 1 . . . . B 704 ILE H . 30810 1 225 . 2 . 2 21 21 ILE HB H 1 1.733 0.020 . 1 . . . . B 704 ILE HB . 30810 1 226 . 2 . 2 21 21 ILE HG13 H 1 1.462 0.020 . 1 . . . . B 704 ILE HG13 . 30810 1 227 . 2 . 2 21 21 ILE CA C 13 63.680 0.3 . 1 . . . . B 704 ILE CA . 30810 1 228 . 2 . 2 21 21 ILE CB C 13 36.112 0.3 . 1 . . . . B 704 ILE CB . 30810 1 229 . 2 . 2 21 21 ILE N N 15 116.398 0.3 . 1 . . . . B 704 ILE N . 30810 1 230 . 2 . 2 22 22 LEU H H 1 7.798 0.020 . 1 . . . . B 705 LEU H . 30810 1 231 . 2 . 2 22 22 LEU CA C 13 57.770 0.3 . 1 . . . . B 705 LEU CA . 30810 1 232 . 2 . 2 22 22 LEU CB C 13 41.074 0.3 . 1 . . . . B 705 LEU CB . 30810 1 233 . 2 . 2 22 22 LEU N N 15 118.984 0.3 . 1 . . . . B 705 LEU N . 30810 1 234 . 2 . 2 23 23 LEU H H 1 8.391 0.020 . 1 . . . . B 706 LEU H . 30810 1 235 . 2 . 2 23 23 LEU CA C 13 57.820 0.3 . 1 . . . . B 706 LEU CA . 30810 1 236 . 2 . 2 23 23 LEU CB C 13 40.864 0.3 . 1 . . . . B 706 LEU CB . 30810 1 237 . 2 . 2 23 23 LEU N N 15 117.501 0.3 . 1 . . . . B 706 LEU N . 30810 1 238 . 2 . 2 24 24 ILE H H 1 8.284 0.020 . 1 . . . . B 707 ILE H . 30810 1 239 . 2 . 2 24 24 ILE CA C 13 64.788 0.3 . 1 . . . . B 707 ILE CA . 30810 1 240 . 2 . 2 24 24 ILE CB C 13 36.425 0.3 . 1 . . . . B 707 ILE CB . 30810 1 241 . 2 . 2 24 24 ILE N N 15 118.489 0.3 . 1 . . . . B 707 ILE N . 30810 1 242 . 2 . 2 25 25 GLY H H 1 8.329 0.020 . 1 . . . . B 708 GLY H . 30810 1 243 . 2 . 2 25 25 GLY CA C 13 47.118 0.3 . 1 . . . . B 708 GLY CA . 30810 1 244 . 2 . 2 25 25 GLY N N 15 106.140 0.3 . 1 . . . . B 708 GLY N . 30810 1 245 . 2 . 2 26 26 LEU H H 1 8.581 0.020 . 1 . . . . B 709 LEU H . 30810 1 246 . 2 . 2 26 26 LEU CA C 13 57.614 0.3 . 1 . . . . B 709 LEU CA . 30810 1 247 . 2 . 2 26 26 LEU CB C 13 40.742 0.3 . 1 . . . . B 709 LEU CB . 30810 1 248 . 2 . 2 26 26 LEU N N 15 120.913 0.3 . 1 . . . . B 709 LEU N . 30810 1 249 . 2 . 2 27 27 ALA H H 1 8.498 0.020 . 1 . . . . B 710 ALA H . 30810 1 250 . 2 . 2 27 27 ALA CA C 13 55.298 0.3 . 1 . . . . B 710 ALA CA . 30810 1 251 . 2 . 2 27 27 ALA CB C 13 16.833 0.3 . 1 . . . . B 710 ALA CB . 30810 1 252 . 2 . 2 27 27 ALA N N 15 120.458 0.3 . 1 . . . . B 710 ALA N . 30810 1 253 . 2 . 2 28 28 ALA H H 1 8.236 0.020 . 1 . . . . B 711 ALA H . 30810 1 254 . 2 . 2 28 28 ALA CA C 13 55.267 0.3 . 1 . . . . B 711 ALA CA . 30810 1 255 . 2 . 2 28 28 ALA CB C 13 17.021 0.3 . 1 . . . . B 711 ALA CB . 30810 1 256 . 2 . 2 28 28 ALA N N 15 118.670 0.3 . 1 . . . . B 711 ALA N . 30810 1 257 . 2 . 2 29 29 LEU H H 1 8.039 0.020 . 1 . . . . B 712 LEU H . 30810 1 258 . 2 . 2 29 29 LEU CA C 13 57.976 0.3 . 1 . . . . B 712 LEU CA . 30810 1 259 . 2 . 2 29 29 LEU CB C 13 41.073 0.3 . 1 . . . . B 712 LEU CB . 30810 1 260 . 2 . 2 29 29 LEU N N 15 117.186 0.3 . 1 . . . . B 712 LEU N . 30810 1 261 . 2 . 2 30 30 LEU H H 1 8.461 0.020 . 1 . . . . B 713 LEU H . 30810 1 262 . 2 . 2 30 30 LEU CA C 13 57.849 0.3 . 1 . . . . B 713 LEU CA . 30810 1 263 . 2 . 2 30 30 LEU CB C 13 40.445 0.3 . 1 . . . . B 713 LEU CB . 30810 1 264 . 2 . 2 30 30 LEU N N 15 118.986 0.3 . 1 . . . . B 713 LEU N . 30810 1 265 . 2 . 2 31 31 ILE H H 1 8.534 0.020 . 1 . . . . B 714 ILE H . 30810 1 266 . 2 . 2 31 31 ILE CA C 13 65.078 0.3 . 1 . . . . B 714 ILE CA . 30810 1 267 . 2 . 2 31 31 ILE CB C 13 36.112 0.3 . 1 . . . . B 714 ILE CB . 30810 1 268 . 2 . 2 31 31 ILE N N 15 119.811 0.3 . 1 . . . . B 714 ILE N . 30810 1 269 . 2 . 2 32 32 TRP H H 1 8.574 0.020 . 1 . . . . B 715 TRP H . 30810 1 270 . 2 . 2 32 32 TRP CA C 13 62.117 0.3 . 1 . . . . B 715 TRP CA . 30810 1 271 . 2 . 2 32 32 TRP CB C 13 27.667 0.3 . 1 . . . . B 715 TRP CB . 30810 1 272 . 2 . 2 32 32 TRP N N 15 120.832 0.3 . 1 . . . . B 715 TRP N . 30810 1 273 . 2 . 2 33 33 LYS H H 1 8.288 0.020 . 1 . . . . B 716 LYS H . 30810 1 274 . 2 . 2 33 33 LYS CA C 13 56.472 0.3 . 1 . . . . B 716 LYS CA . 30810 1 275 . 2 . 2 33 33 LYS CB C 13 31.280 0.3 . 1 . . . . B 716 LYS CB . 30810 1 276 . 2 . 2 33 33 LYS N N 15 117.703 0.3 . 1 . . . . B 716 LYS N . 30810 1 277 . 2 . 2 34 34 LEU H H 1 8.448 0.020 . 1 . . . . B 717 LEU H . 30810 1 278 . 2 . 2 34 34 LEU CA C 13 58.084 0.3 . 1 . . . . B 717 LEU CA . 30810 1 279 . 2 . 2 34 34 LEU CB C 13 40.930 0.3 . 1 . . . . B 717 LEU CB . 30810 1 280 . 2 . 2 34 34 LEU N N 15 122.578 0.3 . 1 . . . . B 717 LEU N . 30810 1 281 . 2 . 2 35 35 LEU H H 1 8.265 0.020 . 1 . . . . B 718 LEU H . 30810 1 282 . 2 . 2 35 35 LEU CA C 13 57.639 0.3 . 1 . . . . B 718 LEU CA . 30810 1 283 . 2 . 2 35 35 LEU CB C 13 40.445 0.3 . 1 . . . . B 718 LEU CB . 30810 1 284 . 2 . 2 35 35 LEU N N 15 118.098 0.3 . 1 . . . . B 718 LEU N . 30810 1 285 . 2 . 2 36 36 ILE H H 1 8.394 0.020 . 1 . . . . B 719 ILE H . 30810 1 286 . 2 . 2 36 36 ILE CA C 13 62.091 0.3 . 1 . . . . B 719 ILE CA . 30810 1 287 . 2 . 2 36 36 ILE CB C 13 36.151 0.3 . 1 . . . . B 719 ILE CB . 30810 1 288 . 2 . 2 36 36 ILE N N 15 118.411 0.3 . 1 . . . . B 719 ILE N . 30810 1 289 . 2 . 2 37 37 THR H H 1 7.511 0.020 . 1 . . . . B 720 THR H . 30810 1 290 . 2 . 2 37 37 THR CA C 13 66.333 0.3 . 1 . . . . B 720 THR CA . 30810 1 291 . 2 . 2 37 37 THR CB C 13 68.030 0.3 . 1 . . . . B 720 THR CB . 30810 1 292 . 2 . 2 37 37 THR N N 15 118.258 0.3 . 1 . . . . B 720 THR N . 30810 1 293 . 2 . 2 38 38 ILE H H 1 7.683 0.020 . 1 . . . . B 721 ILE H . 30810 1 294 . 2 . 2 38 38 ILE CA C 13 64.268 0.3 . 1 . . . . B 721 ILE CA . 30810 1 295 . 2 . 2 38 38 ILE CB C 13 36.948 0.3 . 1 . . . . B 721 ILE CB . 30810 1 296 . 2 . 2 38 38 ILE N N 15 120.401 0.3 . 1 . . . . B 721 ILE N . 30810 1 297 . 2 . 2 39 39 HIS H H 1 8.100 0.020 . 1 . . . . B 722 HIS H . 30810 1 298 . 2 . 2 39 39 HIS CA C 13 55.992 0.3 . 1 . . . . B 722 HIS CA . 30810 1 299 . 2 . 2 39 39 HIS CB C 13 29.429 0.3 . 1 . . . . B 722 HIS CB . 30810 1 300 . 2 . 2 39 39 HIS N N 15 119.703 0.3 . 1 . . . . B 722 HIS N . 30810 1 301 . 2 . 2 41 41 ARG H H 1 7.544 0.020 . 1 . . . . B 724 ARG H . 30810 1 302 . 2 . 2 41 41 ARG CA C 13 56.173 0.3 . 1 . . . . B 724 ARG CA . 30810 1 303 . 2 . 2 41 41 ARG CB C 13 29.395 0.3 . 1 . . . . B 724 ARG CB . 30810 1 304 . 2 . 2 41 41 ARG N N 15 119.603 0.3 . 1 . . . . B 724 ARG N . 30810 1 305 . 2 . 2 42 42 LYS H H 1 7.792 0.020 . 1 . . . . B 725 LYS H . 30810 1 306 . 2 . 2 42 42 LYS CA C 13 56.199 0.3 . 1 . . . . B 725 LYS CA . 30810 1 307 . 2 . 2 42 42 LYS CB C 13 31.647 0.3 . 1 . . . . B 725 LYS CB . 30810 1 308 . 2 . 2 42 42 LYS N N 15 120.885 0.3 . 1 . . . . B 725 LYS N . 30810 1 309 . 2 . 2 43 43 GLU H H 1 8.029 0.020 . 1 . . . . B 726 GLU H . 30810 1 310 . 2 . 2 43 43 GLU CA C 13 56.042 0.3 . 1 . . . . B 726 GLU CA . 30810 1 311 . 2 . 2 43 43 GLU CB C 13 29.552 0.3 . 1 . . . . B 726 GLU CB . 30810 1 312 . 2 . 2 43 43 GLU N N 15 121.182 0.3 . 1 . . . . B 726 GLU N . 30810 1 313 . 2 . 2 44 44 PHE H H 1 7.555 0.020 . 1 . . . . B 727 PHE H . 30810 1 314 . 2 . 2 44 44 PHE CA C 13 58.635 0.3 . 1 . . . . B 727 PHE CA . 30810 1 315 . 2 . 2 44 44 PHE CB C 13 39.555 0.3 . 1 . . . . B 727 PHE CB . 30810 1 316 . 2 . 2 44 44 PHE N N 15 125.210 0.3 . 1 . . . . B 727 PHE N . 30810 1 stop_ save_