################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7091 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 [15N, 1H]-TROSY' 1 $sample_1 isotropic 7091 1 2 '3D [15N,1H]-TROSY-HNCA' 1 $sample_1 isotropic 7091 1 3 '3D 13C-ct.-[15N,1H]-TROSY-HNCA' 1 $sample_1 isotropic 7091 1 4 '3D [15N,1H]-TROSY-HNCACB' 1 $sample_1 isotropic 7091 1 5 '3D [1H,1H]-NOESY-[15N,1H]-TROSY' 1 $sample_1 isotropic 7091 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.675 0.000 . . . . . . 1 MET CA . 7091 1 2 . 1 1 1 1 MET CB C 13 32.200 0.000 . . . . . . 1 MET CB . 7091 1 3 . 1 1 2 2 ASN H H 1 8.891 0.000 . . . . . . 2 ASN H . 7091 1 4 . 1 1 2 2 ASN CA C 13 52.399 0.013 . . . . . . 2 ASN CA . 7091 1 5 . 1 1 2 2 ASN CB C 13 39.130 0.000 . . . . . . 2 ASN CB . 7091 1 6 . 1 1 2 2 ASN N N 15 123.124 0.000 . . . . . . 2 ASN N . 7091 1 7 . 1 1 3 3 ILE H H 1 7.812 0.000 . . . . . . 3 ILE H . 7091 1 8 . 1 1 3 3 ILE CA C 13 59.177 0.026 . . . . . . 3 ILE CA . 7091 1 9 . 1 1 3 3 ILE CB C 13 38.565 0.000 . . . . . . 3 ILE CB . 7091 1 10 . 1 1 3 3 ILE N N 15 119.920 0.000 . . . . . . 3 ILE N . 7091 1 11 . 1 1 4 4 ARG H H 1 9.174 0.000 . . . . . . 4 ARG H . 7091 1 12 . 1 1 4 4 ARG CA C 13 51.267 0.000 . . . . . . 4 ARG CA . 7091 1 13 . 1 1 4 4 ARG N N 15 127.992 0.000 . . . . . . 4 ARG N . 7091 1 14 . 1 1 6 6 LEU CA C 13 53.322 0.000 . . . . . . 6 LEU CA . 7091 1 15 . 1 1 7 7 HIS H H 1 9.197 0.000 . . . . . . 7 HIS H . 7091 1 16 . 1 1 7 7 HIS CA C 13 56.042 0.013 . . . . . . 7 HIS CA . 7091 1 17 . 1 1 7 7 HIS N N 15 118.031 0.000 . . . . . . 7 HIS N . 7091 1 18 . 1 1 8 8 ASP H H 1 8.979 0.000 . . . . . . 8 ASP H . 7091 1 19 . 1 1 8 8 ASP CA C 13 52.229 0.000 . . . . . . 8 ASP CA . 7091 1 20 . 1 1 8 8 ASP N N 15 120.528 0.000 . . . . . . 8 ASP N . 7091 1 21 . 1 1 9 9 ARG H H 1 7.670 0.000 . . . . . . 9 ARG H . 7091 1 22 . 1 1 9 9 ARG CA C 13 54.941 0.000 . . . . . . 9 ARG CA . 7091 1 23 . 1 1 9 9 ARG N N 15 119.647 0.000 . . . . . . 9 ARG N . 7091 1 24 . 1 1 10 10 VAL H H 1 8.784 0.000 . . . . . . 10 VAL H . 7091 1 25 . 1 1 10 10 VAL CA C 13 59.567 0.000 . . . . . . 10 VAL CA . 7091 1 26 . 1 1 10 10 VAL N N 15 115.075 0.000 . . . . . . 10 VAL N . 7091 1 27 . 1 1 12 12 VAL H H 1 9.392 0.000 . . . . . . 12 VAL H . 7091 1 28 . 1 1 12 12 VAL CA C 13 59.177 0.026 . . . . . . 12 VAL CA . 7091 1 29 . 1 1 12 12 VAL N N 15 129.126 0.000 . . . . . . 12 VAL N . 7091 1 30 . 1 1 13 13 LYS H H 1 8.900 0.000 . . . . . . 13 LYS H . 7091 1 31 . 1 1 13 13 LYS CA C 13 53.296 0.026 . . . . . . 13 LYS CA . 7091 1 32 . 1 1 13 13 LYS N N 15 125.494 0.000 . . . . . . 13 LYS N . 7091 1 33 . 1 1 14 14 ARG H H 1 9.283 0.000 . . . . . . 14 ARG H . 7091 1 34 . 1 1 14 14 ARG CA C 13 57.629 0.013 . . . . . . 14 ARG CA . 7091 1 35 . 1 1 14 14 ARG CB C 13 30.101 0.000 . . . . . . 14 ARG CB . 7091 1 36 . 1 1 14 14 ARG N N 15 129.558 0.000 . . . . . . 14 ARG N . 7091 1 37 . 1 1 15 15 LYS H H 1 8.727 0.000 . . . . . . 15 LYS H . 7091 1 38 . 1 1 15 15 LYS CA C 13 54.194 0.039 . . . . . . 15 LYS CA . 7091 1 39 . 1 1 15 15 LYS N N 15 126.852 0.000 . . . . . . 15 LYS N . 7091 1 40 . 1 1 16 16 GLU H H 1 8.622 0.000 . . . . . . 16 GLU H . 7091 1 41 . 1 1 16 16 GLU CA C 13 55.404 0.026 . . . . . . 16 GLU CA . 7091 1 42 . 1 1 16 16 GLU N N 15 124.278 0.000 . . . . . . 16 GLU N . 7091 1 43 . 1 1 17 17 VAL H H 1 8.425 0.000 . . . . . . 17 VAL H . 7091 1 44 . 1 1 17 17 VAL CA C 13 61.598 0.051 . . . . . . 17 VAL CA . 7091 1 45 . 1 1 17 17 VAL N N 15 121.994 0.000 . . . . . . 17 VAL N . 7091 1 46 . 1 1 18 18 GLU H H 1 8.517 0.000 . . . . . . 18 GLU H . 7091 1 47 . 1 1 18 18 GLU CA C 13 55.837 0.043 . . . . . . 18 GLU CA . 7091 1 48 . 1 1 18 18 GLU CB C 13 29.295 0.000 . . . . . . 18 GLU CB . 7091 1 49 . 1 1 18 18 GLU N N 15 125.664 0.000 . . . . . . 18 GLU N . 7091 1 50 . 1 1 19 19 THR H H 1 8.296 0.000 . . . . . . 19 THR H . 7091 1 51 . 1 1 19 19 THR CA C 13 61.285 0.026 . . . . . . 19 THR CA . 7091 1 52 . 1 1 19 19 THR CB C 13 69.198 0.000 . . . . . . 19 THR CB . 7091 1 53 . 1 1 19 19 THR N N 15 117.606 0.000 . . . . . . 19 THR N . 7091 1 54 . 1 1 20 20 LYS H H 1 8.399 0.000 . . . . . . 20 LYS H . 7091 1 55 . 1 1 20 20 LYS CA C 13 55.456 0.052 . . . . . . 20 LYS CA . 7091 1 56 . 1 1 20 20 LYS CB C 13 32.036 0.000 . . . . . . 20 LYS CB . 7091 1 57 . 1 1 20 20 LYS N N 15 124.443 0.000 . . . . . . 20 LYS N . 7091 1 58 . 1 1 21 21 SER H H 1 8.371 0.000 . . . . . . 21 SER H . 7091 1 59 . 1 1 21 21 SER CA C 13 57.356 0.026 . . . . . . 21 SER CA . 7091 1 60 . 1 1 21 21 SER CB C 13 63.555 0.000 . . . . . . 21 SER CB . 7091 1 61 . 1 1 21 21 SER N N 15 117.548 0.000 . . . . . . 21 SER N . 7091 1 62 . 1 1 22 22 ALA H H 1 8.429 0.000 . . . . . . 22 ALA H . 7091 1 63 . 1 1 22 22 ALA CA C 13 52.299 0.000 . . . . . . 22 ALA CA . 7091 1 64 . 1 1 22 22 ALA CB C 13 17.885 0.000 . . . . . . 22 ALA CB . 7091 1 65 . 1 1 22 22 ALA N N 15 126.438 0.000 . . . . . . 22 ALA N . 7091 1 66 . 1 1 23 23 GLY H H 1 8.323 0.000 . . . . . . 23 GLY H . 7091 1 67 . 1 1 23 23 GLY CA C 13 44.768 0.019 . . . . . . 23 GLY CA . 7091 1 68 . 1 1 23 23 GLY N N 15 108.360 0.000 . . . . . . 23 GLY N . 7091 1 69 . 1 1 24 24 GLY H H 1 8.135 0.000 . . . . . . 24 GLY H . 7091 1 70 . 1 1 24 24 GLY CA C 13 44.513 0.014 . . . . . . 24 GLY CA . 7091 1 71 . 1 1 24 24 GLY N N 15 109.039 0.000 . . . . . . 24 GLY N . 7091 1 72 . 1 1 25 25 ILE H H 1 7.769 0.000 . . . . . . 25 ILE H . 7091 1 73 . 1 1 25 25 ILE CA C 13 60.129 0.011 . . . . . . 25 ILE CA . 7091 1 74 . 1 1 25 25 ILE N N 15 120.801 0.000 . . . . . . 25 ILE N . 7091 1 75 . 1 1 26 26 VAL H H 1 8.260 0.000 . . . . . . 26 VAL H . 7091 1 76 . 1 1 26 26 VAL CA C 13 61.735 0.034 . . . . . . 26 VAL CA . 7091 1 77 . 1 1 26 26 VAL N N 15 126.222 0.000 . . . . . . 26 VAL N . 7091 1 78 . 1 1 27 27 LEU H H 1 8.430 0.000 . . . . . . 27 LEU H . 7091 1 79 . 1 1 27 27 LEU CA C 13 54.246 0.013 . . . . . . 27 LEU CA . 7091 1 80 . 1 1 27 27 LEU CB C 13 40.984 0.000 . . . . . . 27 LEU CB . 7091 1 81 . 1 1 27 27 LEU N N 15 127.837 0.000 . . . . . . 27 LEU N . 7091 1 82 . 1 1 28 28 THR H H 1 8.071 0.000 . . . . . . 28 THR H . 7091 1 83 . 1 1 28 28 THR CA C 13 60.999 0.026 . . . . . . 28 THR CA . 7091 1 84 . 1 1 28 28 THR CB C 13 69.520 0.000 . . . . . . 28 THR CB . 7091 1 85 . 1 1 28 28 THR N N 15 115.035 0.000 . . . . . . 28 THR N . 7091 1 86 . 1 1 29 29 GLY H H 1 8.454 0.000 . . . . . . 29 GLY H . 7091 1 87 . 1 1 29 29 GLY CA C 13 44.891 0.026 . . . . . . 29 GLY CA . 7091 1 88 . 1 1 29 29 GLY N N 15 111.519 0.000 . . . . . . 29 GLY N . 7091 1 89 . 1 1 30 30 SER H H 1 8.266 0.000 . . . . . . 30 SER H . 7091 1 90 . 1 1 30 30 SER CA C 13 58.197 0.017 . . . . . . 30 SER CA . 7091 1 91 . 1 1 30 30 SER CB C 13 63.175 0.023 . . . . . . 30 SER CB . 7091 1 92 . 1 1 30 30 SER N N 15 117.049 0.000 . . . . . . 30 SER N . 7091 1 93 . 1 1 31 31 ALA H H 1 8.260 0.000 . . . . . . 31 ALA H . 7091 1 94 . 1 1 31 31 ALA CA C 13 52.014 0.019 . . . . . . 31 ALA CA . 7091 1 95 . 1 1 31 31 ALA CB C 13 18.014 0.000 . . . . . . 31 ALA CB . 7091 1 96 . 1 1 31 31 ALA N N 15 125.814 0.000 . . . . . . 31 ALA N . 7091 1 97 . 1 1 32 32 ALA H H 1 7.944 0.000 . . . . . . 32 ALA H . 7091 1 98 . 1 1 32 32 ALA CA C 13 51.543 0.000 . . . . . . 32 ALA CA . 7091 1 99 . 1 1 32 32 ALA CB C 13 17.959 0.010 . . . . . . 32 ALA CB . 7091 1 100 . 1 1 32 32 ALA N N 15 122.520 0.000 . . . . . . 32 ALA N . 7091 1 101 . 1 1 33 33 ALA H H 1 7.973 0.000 . . . . . . 33 ALA H . 7091 1 102 . 1 1 33 33 ALA CA C 13 51.643 0.000 . . . . . . 33 ALA CA . 7091 1 103 . 1 1 33 33 ALA CB C 13 -40.993 0.000 . . . . . . 33 ALA CB . 7091 1 104 . 1 1 33 33 ALA N N 15 123.431 0.000 . . . . . . 33 ALA N . 7091 1 105 . 1 1 34 34 LYS H H 1 8.152 0.000 . . . . . . 34 LYS H . 7091 1 106 . 1 1 34 34 LYS CA C 13 55.066 0.026 . . . . . . 34 LYS CA . 7091 1 107 . 1 1 34 34 LYS CB C 13 -26.686 0.000 . . . . . . 34 LYS CB . 7091 1 108 . 1 1 34 34 LYS N N 15 120.549 0.000 . . . . . . 34 LYS N . 7091 1 109 . 1 1 35 35 SER H H 1 8.665 0.000 . . . . . . 35 SER H . 7091 1 110 . 1 1 35 35 SER CA C 13 57.616 0.000 . . . . . . 35 SER CA . 7091 1 111 . 1 1 35 35 SER CB C 13 63.716 0.000 . . . . . . 35 SER CB . 7091 1 112 . 1 1 35 35 SER N N 15 118.003 0.000 . . . . . . 35 SER N . 7091 1 113 . 1 1 36 36 THR H H 1 8.258 0.000 . . . . . . 36 THR H . 7091 1 114 . 1 1 36 36 THR CA C 13 60.452 0.104 . . . . . . 36 THR CA . 7091 1 115 . 1 1 36 36 THR N N 15 117.992 0.000 . . . . . . 36 THR N . 7091 1 116 . 1 1 37 37 ARG H H 1 7.898 0.000 . . . . . . 37 ARG H . 7091 1 117 . 1 1 37 37 ARG CA C 13 52.763 0.065 . . . . . . 37 ARG CA . 7091 1 118 . 1 1 37 37 ARG N N 15 120.017 0.000 . . . . . . 37 ARG N . 7091 1 119 . 1 1 38 38 GLY H H 1 8.944 0.000 . . . . . . 38 GLY H . 7091 1 120 . 1 1 38 38 GLY CA C 13 44.748 0.013 . . . . . . 38 GLY CA . 7091 1 121 . 1 1 38 38 GLY N N 15 107.208 0.000 . . . . . . 38 GLY N . 7091 1 122 . 1 1 39 39 GLU H H 1 8.886 0.000 . . . . . . 39 GLU H . 7091 1 123 . 1 1 39 39 GLU CA C 13 53.101 0.065 . . . . . . 39 GLU CA . 7091 1 124 . 1 1 39 39 GLU N N 15 121.670 0.000 . . . . . . 39 GLU N . 7091 1 125 . 1 1 40 40 VAL H H 1 9.187 0.000 . . . . . . 40 VAL H . 7091 1 126 . 1 1 40 40 VAL CA C 13 63.380 0.092 . . . . . . 40 VAL CA . 7091 1 127 . 1 1 40 40 VAL N N 15 126.876 0.000 . . . . . . 40 VAL N . 7091 1 128 . 1 1 41 41 LEU H H 1 9.507 0.000 . . . . . . 41 LEU H . 7091 1 129 . 1 1 41 41 LEU CA C 13 54.846 0.014 . . . . . . 41 LEU CA . 7091 1 130 . 1 1 41 41 LEU N N 15 130.730 0.000 . . . . . . 41 LEU N . 7091 1 131 . 1 1 42 42 ALA H H 1 7.538 0.000 . . . . . . 42 ALA H . 7091 1 132 . 1 1 42 42 ALA CA C 13 51.644 0.013 . . . . . . 42 ALA CA . 7091 1 133 . 1 1 42 42 ALA N N 15 118.223 0.000 . . . . . . 42 ALA N . 7091 1 134 . 1 1 43 43 VAL H H 1 8.804 0.000 . . . . . . 43 VAL H . 7091 1 135 . 1 1 43 43 VAL CA C 13 59.268 0.065 . . . . . . 43 VAL CA . 7091 1 136 . 1 1 43 43 VAL CB C 13 34.857 0.000 . . . . . . 43 VAL CB . 7091 1 137 . 1 1 43 43 VAL N N 15 115.535 0.000 . . . . . . 43 VAL N . 7091 1 138 . 1 1 44 44 GLY H H 1 8.097 0.000 . . . . . . 44 GLY H . 7091 1 139 . 1 1 44 44 GLY CA C 13 43.903 0.000 . . . . . . 44 GLY CA . 7091 1 140 . 1 1 44 44 GLY N N 15 111.420 0.000 . . . . . . 44 GLY N . 7091 1 141 . 1 1 45 45 ASN CA C 13 53.752 0.000 . . . . . . 45 ASN CA . 7091 1 142 . 1 1 46 46 GLY H H 1 7.874 0.000 . . . . . . 46 GLY H . 7091 1 143 . 1 1 46 46 GLY CA C 13 43.642 0.000 . . . . . . 46 GLY CA . 7091 1 144 . 1 1 46 46 GLY N N 15 105.664 0.000 . . . . . . 46 GLY N . 7091 1 145 . 1 1 47 47 ARG H H 1 8.000 0.000 . . . . . . 47 ARG H . 7091 1 146 . 1 1 47 47 ARG CA C 13 54.584 0.091 . . . . . . 47 ARG CA . 7091 1 147 . 1 1 47 47 ARG CB C 13 31.069 0.000 . . . . . . 47 ARG CB . 7091 1 148 . 1 1 47 47 ARG N N 15 119.923 0.000 . . . . . . 47 ARG N . 7091 1 149 . 1 1 48 48 ILE H H 1 8.372 0.000 . . . . . . 48 ILE H . 7091 1 150 . 1 1 48 48 ILE CA C 13 59.961 0.003 . . . . . . 48 ILE CA . 7091 1 151 . 1 1 48 48 ILE N N 15 124.477 0.000 . . . . . . 48 ILE N . 7091 1 152 . 1 1 49 49 LEU H H 1 8.883 0.000 . . . . . . 49 LEU H . 7091 1 153 . 1 1 49 49 LEU CA C 13 53.426 0.000 . . . . . . 49 LEU CA . 7091 1 154 . 1 1 49 49 LEU CB C 13 40.581 0.000 . . . . . . 49 LEU CB . 7091 1 155 . 1 1 49 49 LEU N N 15 129.558 0.000 . . . . . . 49 LEU N . 7091 1 156 . 1 1 50 50 GLU H H 1 8.721 0.000 . . . . . . 50 GLU H . 7091 1 157 . 1 1 50 50 GLU CA C 13 58.383 0.013 . . . . . . 50 GLU CA . 7091 1 158 . 1 1 50 50 GLU N N 15 120.876 0.000 . . . . . . 50 GLU N . 7091 1 159 . 1 1 51 51 ASN H H 1 7.640 0.000 . . . . . . 51 ASN H . 7091 1 160 . 1 1 51 51 ASN CA C 13 51.748 0.013 . . . . . . 51 ASN CA . 7091 1 161 . 1 1 51 51 ASN N N 15 114.074 0.000 . . . . . . 51 ASN N . 7091 1 162 . 1 1 52 52 GLY H H 1 8.184 0.000 . . . . . . 52 GLY H . 7091 1 163 . 1 1 52 52 GLY CA C 13 44.569 0.062 . . . . . . 52 GLY CA . 7091 1 164 . 1 1 52 52 GLY N N 15 108.959 0.000 . . . . . . 52 GLY N . 7091 1 165 . 1 1 53 53 GLU H H 1 7.697 0.000 . . . . . . 53 GLU H . 7091 1 166 . 1 1 53 53 GLU CA C 13 55.560 0.000 . . . . . . 53 GLU CA . 7091 1 167 . 1 1 53 53 GLU CB C 13 29.091 0.038 . . . . . . 53 GLU CB . 7091 1 168 . 1 1 53 53 GLU N N 15 120.869 0.000 . . . . . . 53 GLU N . 7091 1 169 . 1 1 54 54 VAL H H 1 8.209 0.000 . . . . . . 54 VAL H . 7091 1 170 . 1 1 54 54 VAL CA C 13 60.205 0.013 . . . . . . 54 VAL CA . 7091 1 171 . 1 1 54 54 VAL CB C 13 31.912 0.000 . . . . . . 54 VAL CB . 7091 1 172 . 1 1 54 54 VAL N N 15 120.449 0.000 . . . . . . 54 VAL N . 7091 1 173 . 1 1 55 55 LYS H H 1 9.082 0.000 . . . . . . 55 LYS H . 7091 1 174 . 1 1 55 55 LYS CA C 13 51.058 0.000 . . . . . . 55 LYS CA . 7091 1 175 . 1 1 55 55 LYS CB C 13 32.439 0.000 . . . . . . 55 LYS CB . 7091 1 176 . 1 1 55 55 LYS N N 15 130.865 0.000 . . . . . . 55 LYS N . 7091 1 177 . 1 1 57 57 LEU H H 1 8.515 0.000 . . . . . . 57 LEU H . 7091 1 178 . 1 1 57 57 LEU CA C 13 54.159 0.029 . . . . . . 57 LEU CA . 7091 1 179 . 1 1 57 57 LEU CB C 13 40.016 0.000 . . . . . . 57 LEU CB . 7091 1 180 . 1 1 57 57 LEU N N 15 119.280 0.000 . . . . . . 57 LEU N . 7091 1 181 . 1 1 58 58 ASP H H 1 9.536 0.000 . . . . . . 58 ASP H . 7091 1 182 . 1 1 58 58 ASP CA C 13 54.604 0.045 . . . . . . 58 ASP CA . 7091 1 183 . 1 1 58 58 ASP N N 15 122.116 0.000 . . . . . . 58 ASP N . 7091 1 184 . 1 1 59 59 VAL H H 1 7.041 0.000 . . . . . . 59 VAL H . 7091 1 185 . 1 1 59 59 VAL CA C 13 59.873 0.045 . . . . . . 59 VAL CA . 7091 1 186 . 1 1 59 59 VAL CB C 13 32.762 0.000 . . . . . . 59 VAL CB . 7091 1 187 . 1 1 59 59 VAL N N 15 113.491 0.000 . . . . . . 59 VAL N . 7091 1 188 . 1 1 60 60 LYS H H 1 8.825 0.000 . . . . . . 60 LYS H . 7091 1 189 . 1 1 60 60 LYS CA C 13 53.403 0.106 . . . . . . 60 LYS CA . 7091 1 190 . 1 1 60 60 LYS CB C 13 34.781 0.004 . . . . . . 60 LYS CB . 7091 1 191 . 1 1 60 60 LYS N N 15 122.466 0.000 . . . . . . 60 LYS N . 7091 1 192 . 1 1 61 61 VAL H H 1 8.229 0.000 . . . . . . 61 VAL H . 7091 1 193 . 1 1 61 61 VAL CA C 13 65.084 0.078 . . . . . . 61 VAL CA . 7091 1 194 . 1 1 61 61 VAL CB C 13 30.064 0.037 . . . . . . 61 VAL CB . 7091 1 195 . 1 1 61 61 VAL N N 15 120.100 0.000 . . . . . . 61 VAL N . 7091 1 196 . 1 1 62 62 GLY H H 1 8.914 0.000 . . . . . . 62 GLY H . 7091 1 197 . 1 1 62 62 GLY CA C 13 43.840 0.167 . . . . . . 62 GLY CA . 7091 1 198 . 1 1 62 62 GLY N N 15 117.280 0.000 . . . . . . 62 GLY N . 7091 1 199 . 1 1 63 63 ASP H H 1 7.999 0.000 . . . . . . 63 ASP H . 7091 1 200 . 1 1 63 63 ASP CA C 13 55.170 0.026 . . . . . . 63 ASP CA . 7091 1 201 . 1 1 63 63 ASP N N 15 122.189 0.000 . . . . . . 63 ASP N . 7091 1 202 . 1 1 64 64 ILE H H 1 8.866 0.000 . . . . . . 64 ILE H . 7091 1 203 . 1 1 64 64 ILE CA C 13 57.632 0.010 . . . . . . 64 ILE CA . 7091 1 204 . 1 1 64 64 ILE CB C 13 34.535 0.000 . . . . . . 64 ILE CB . 7091 1 205 . 1 1 64 64 ILE N N 15 123.223 0.000 . . . . . . 64 ILE N . 7091 1 206 . 1 1 65 65 VAL H H 1 9.122 0.000 . . . . . . 65 VAL H . 7091 1 207 . 1 1 65 65 VAL CA C 13 57.225 0.000 . . . . . . 65 VAL CA . 7091 1 208 . 1 1 65 65 VAL CB C 13 33.937 0.000 . . . . . . 65 VAL CB . 7091 1 209 . 1 1 65 65 VAL N N 15 117.459 0.000 . . . . . . 65 VAL N . 7091 1 210 . 1 1 66 66 ILE CA C 13 59.125 0.000 . . . . . . 66 ILE CA . 7091 1 211 . 1 1 67 67 PHE H H 1 8.319 0.000 . . . . . . 67 PHE H . 7091 1 212 . 1 1 67 67 PHE CA C 13 54.116 0.013 . . . . . . 67 PHE CA . 7091 1 213 . 1 1 67 67 PHE N N 15 124.031 0.000 . . . . . . 67 PHE N . 7091 1 214 . 1 1 68 68 ASN H H 1 8.888 0.000 . . . . . . 68 ASN H . 7091 1 215 . 1 1 68 68 ASN CA C 13 51.410 0.013 . . . . . . 68 ASN CA . 7091 1 216 . 1 1 68 68 ASN CB C 13 38.968 0.080 . . . . . . 68 ASN CB . 7091 1 217 . 1 1 68 68 ASN N N 15 118.343 0.000 . . . . . . 68 ASN N . 7091 1 218 . 1 1 69 69 ASP H H 1 8.398 0.000 . . . . . . 69 ASP H . 7091 1 219 . 1 1 69 69 ASP CA C 13 52.633 0.039 . . . . . . 69 ASP CA . 7091 1 220 . 1 1 69 69 ASP CB C 13 39.815 0.040 . . . . . . 69 ASP CB . 7091 1 221 . 1 1 69 69 ASP N N 15 126.018 0.000 . . . . . . 69 ASP N . 7091 1 222 . 1 1 70 70 GLY H H 1 7.726 0.000 . . . . . . 70 GLY H . 7091 1 223 . 1 1 70 70 GLY CA C 13 44.163 0.026 . . . . . . 70 GLY CA . 7091 1 224 . 1 1 70 70 GLY N N 15 109.512 0.000 . . . . . . 70 GLY N . 7091 1 225 . 1 1 71 71 TYR H H 1 8.306 0.000 . . . . . . 71 TYR H . 7091 1 226 . 1 1 71 71 TYR CA C 13 59.216 0.013 . . . . . . 71 TYR CA . 7091 1 227 . 1 1 71 71 TYR CB C 13 37.034 0.081 . . . . . . 71 TYR CB . 7091 1 228 . 1 1 71 71 TYR N N 15 120.673 0.000 . . . . . . 71 TYR N . 7091 1 229 . 1 1 72 72 GLY H H 1 8.591 0.000 . . . . . . 72 GLY H . 7091 1 230 . 1 1 72 72 GLY CA C 13 44.657 0.026 . . . . . . 72 GLY CA . 7091 1 231 . 1 1 72 72 GLY N N 15 109.585 0.000 . . . . . . 72 GLY N . 7091 1 232 . 1 1 73 73 VAL H H 1 7.515 0.000 . . . . . . 73 VAL H . 7091 1 233 . 1 1 73 73 VAL CA C 13 61.996 0.069 . . . . . . 73 VAL CA . 7091 1 234 . 1 1 73 73 VAL CB C 13 30.786 0.040 . . . . . . 73 VAL CB . 7091 1 235 . 1 1 73 73 VAL N N 15 122.562 0.000 . . . . . . 73 VAL N . 7091 1 236 . 1 1 74 74 LYS H H 1 8.577 0.000 . . . . . . 74 LYS H . 7091 1 237 . 1 1 74 74 LYS CA C 13 53.348 0.000 . . . . . . 74 LYS CA . 7091 1 238 . 1 1 74 74 LYS CB C 13 32.923 0.000 . . . . . . 74 LYS CB . 7091 1 239 . 1 1 74 74 LYS N N 15 128.780 0.000 . . . . . . 74 LYS N . 7091 1 240 . 1 1 75 75 SER H H 1 8.555 0.000 . . . . . . 75 SER H . 7091 1 241 . 1 1 75 75 SER CA C 13 56.848 0.039 . . . . . . 75 SER CA . 7091 1 242 . 1 1 75 75 SER CB C 13 63.313 0.000 . . . . . . 75 SER CB . 7091 1 243 . 1 1 75 75 SER N N 15 120.121 0.000 . . . . . . 75 SER N . 7091 1 244 . 1 1 76 76 GLU H H 1 8.955 0.000 . . . . . . 76 GLU H . 7091 1 245 . 1 1 76 76 GLU CA C 13 53.964 0.035 . . . . . . 76 GLU CA . 7091 1 246 . 1 1 76 76 GLU N N 15 127.568 0.000 . . . . . . 76 GLU N . 7091 1 247 . 1 1 77 77 LYS H H 1 8.626 0.000 . . . . . . 77 LYS H . 7091 1 248 . 1 1 77 77 LYS CA C 13 54.688 0.065 . . . . . . 77 LYS CA . 7091 1 249 . 1 1 77 77 LYS CB C 13 32.721 0.121 . . . . . . 77 LYS CB . 7091 1 250 . 1 1 77 77 LYS N N 15 122.738 0.000 . . . . . . 77 LYS N . 7091 1 251 . 1 1 78 78 ILE H H 1 8.571 0.000 . . . . . . 78 ILE H . 7091 1 252 . 1 1 78 78 ILE CA C 13 59.164 0.013 . . . . . . 78 ILE CA . 7091 1 253 . 1 1 78 78 ILE CB C 13 38.162 0.080 . . . . . . 78 ILE CB . 7091 1 254 . 1 1 78 78 ILE N N 15 125.069 0.000 . . . . . . 78 ILE N . 7091 1 255 . 1 1 79 79 ASP H H 1 9.049 0.000 . . . . . . 79 ASP H . 7091 1 256 . 1 1 79 79 ASP CA C 13 55.651 0.013 . . . . . . 79 ASP CA . 7091 1 257 . 1 1 79 79 ASP N N 15 128.904 0.000 . . . . . . 79 ASP N . 7091 1 258 . 1 1 80 80 ASN H H 1 8.543 0.000 . . . . . . 80 ASN H . 7091 1 259 . 1 1 80 80 ASN CA C 13 53.747 0.008 . . . . . . 80 ASN CA . 7091 1 260 . 1 1 80 80 ASN N N 15 113.406 0.000 . . . . . . 80 ASN N . 7091 1 261 . 1 1 81 81 GLU H H 1 7.921 0.000 . . . . . . 81 GLU H . 7091 1 262 . 1 1 81 81 GLU CA C 13 54.480 0.013 . . . . . . 81 GLU CA . 7091 1 263 . 1 1 81 81 GLU CB C 13 30.988 0.081 . . . . . . 81 GLU CB . 7091 1 264 . 1 1 81 81 GLU N N 15 120.583 0.000 . . . . . . 81 GLU N . 7091 1 265 . 1 1 82 82 GLU H H 1 8.578 0.000 . . . . . . 82 GLU H . 7091 1 266 . 1 1 82 82 GLU CA C 13 55.859 0.091 . . . . . . 82 GLU CA . 7091 1 267 . 1 1 82 82 GLU CB C 13 29.376 0.000 . . . . . . 82 GLU CB . 7091 1 268 . 1 1 82 82 GLU N N 15 124.034 0.000 . . . . . . 82 GLU N . 7091 1 269 . 1 1 83 83 VAL H H 1 8.940 0.000 . . . . . . 83 VAL H . 7091 1 270 . 1 1 83 83 VAL CA C 13 58.735 0.052 . . . . . . 83 VAL CA . 7091 1 271 . 1 1 83 83 VAL N N 15 121.631 0.000 . . . . . . 83 VAL N . 7091 1 272 . 1 1 84 84 LEU H H 1 9.022 0.000 . . . . . . 84 LEU H . 7091 1 273 . 1 1 84 84 LEU CA C 13 52.008 0.091 . . . . . . 84 LEU CA . 7091 1 274 . 1 1 84 84 LEU N N 15 120.121 0.000 . . . . . . 84 LEU N . 7091 1 275 . 1 1 85 85 ILE H H 1 9.083 0.000 . . . . . . 85 ILE H . 7091 1 276 . 1 1 85 85 ILE CA C 13 59.925 0.007 . . . . . . 85 ILE CA . 7091 1 277 . 1 1 85 85 ILE N N 15 121.018 0.000 . . . . . . 85 ILE N . 7091 1 278 . 1 1 86 86 MET H H 1 8.672 0.000 . . . . . . 86 MET H . 7091 1 279 . 1 1 86 86 MET CA C 13 53.050 0.092 . . . . . . 86 MET CA . 7091 1 280 . 1 1 86 86 MET N N 15 124.326 0.000 . . . . . . 86 MET N . 7091 1 281 . 1 1 87 87 SER H H 1 9.380 0.000 . . . . . . 87 SER H . 7091 1 282 . 1 1 87 87 SER CA C 13 57.668 0.000 . . . . . . 87 SER CA . 7091 1 283 . 1 1 87 87 SER N N 15 116.414 0.000 . . . . . . 87 SER N . 7091 1 284 . 1 1 88 88 GLU H H 1 8.769 0.000 . . . . . . 88 GLU H . 7091 1 285 . 1 1 88 88 GLU CA C 13 59.203 0.000 . . . . . . 88 GLU CA . 7091 1 286 . 1 1 88 88 GLU N N 15 126.840 0.000 . . . . . . 88 GLU N . 7091 1 287 . 1 1 89 89 SER H H 1 8.277 0.000 . . . . . . 89 SER H . 7091 1 288 . 1 1 89 89 SER CA C 13 60.374 0.000 . . . . . . 89 SER CA . 7091 1 289 . 1 1 89 89 SER N N 15 111.459 0.000 . . . . . . 89 SER N . 7091 1 290 . 1 1 90 90 ASP H H 1 7.750 0.000 . . . . . . 90 ASP H . 7091 1 291 . 1 1 90 90 ASP CA C 13 55.222 0.000 . . . . . . 90 ASP CA . 7091 1 292 . 1 1 90 90 ASP N N 15 120.207 0.000 . . . . . . 90 ASP N . 7091 1 293 . 1 1 92 92 LEU H H 1 8.859 0.000 . . . . . . 92 LEU H . 7091 1 294 . 1 1 92 92 LEU CA C 13 55.490 0.008 . . . . . . 92 LEU CA . 7091 1 295 . 1 1 92 92 LEU N N 15 125.384 0.000 . . . . . . 92 LEU N . 7091 1 296 . 1 1 93 93 ALA H H 1 7.448 0.000 . . . . . . 93 ALA H . 7091 1 297 . 1 1 93 93 ALA CA C 13 50.252 0.000 . . . . . . 93 ALA CA . 7091 1 298 . 1 1 93 93 ALA N N 15 115.234 0.000 . . . . . . 93 ALA N . 7091 1 299 . 1 1 94 94 ILE H H 1 8.640 0.000 . . . . . . 94 ILE H . 7091 1 300 . 1 1 94 94 ILE CA C 13 59.177 0.000 . . . . . . 94 ILE CA . 7091 1 301 . 1 1 94 94 ILE N N 15 121.234 0.000 . . . . . . 94 ILE N . 7091 1 302 . 1 1 95 95 VAL H H 1 8.998 0.000 . . . . . . 95 VAL H . 7091 1 303 . 1 1 95 95 VAL CA C 13 61.103 0.000 . . . . . . 95 VAL CA . 7091 1 304 . 1 1 95 95 VAL CB C 13 30.768 0.000 . . . . . . 95 VAL CB . 7091 1 305 . 1 1 95 95 VAL N N 15 127.531 0.000 . . . . . . 95 VAL N . 7091 1 306 . 1 1 96 96 GLU H H 1 8.530 0.000 . . . . . . 96 GLU H . 7091 1 307 . 1 1 96 96 GLU CA C 13 55.131 0.013 . . . . . . 96 GLU CA . 7091 1 308 . 1 1 96 96 GLU CB C 13 29.888 0.028 . . . . . . 96 GLU CB . 7091 1 309 . 1 1 96 96 GLU N N 15 128.465 0.000 . . . . . . 96 GLU N . 7091 1 310 . 1 1 97 97 ALA H H 1 8.024 0.000 . . . . . . 97 ALA H . 7091 1 311 . 1 1 97 97 ALA CA C 13 53.530 0.000 . . . . . . 97 ALA CA . 7091 1 312 . 1 1 97 97 ALA CB C 13 18.943 0.000 . . . . . . 97 ALA CB . 7091 1 313 . 1 1 97 97 ALA N N 15 130.481 0.000 . . . . . . 97 ALA N . 7091 1 stop_ save_