################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27203 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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' . . . 27203 1 2 '3D CBCA(CO)NH' . . . 27203 1 3 '3D HNCACB' . . . 27203 1 4 '3D C(CO)NH' . . . 27203 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.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 9 9 LYS CA C 13 56.565 0.000 . 1 . . . . . 9 LYS CA . 27203 1 2 . 1 1 9 9 LYS CB C 13 33.755 0.000 . 1 . . . . . 9 LYS CB . 27203 1 3 . 1 1 10 10 ILE H H 1 9.161 0.000 . 1 . . . . . 10 ILE H . 27203 1 4 . 1 1 10 10 ILE CA C 13 61.534 0.100 . 1 . . . . . 10 ILE CA . 27203 1 5 . 1 1 10 10 ILE CB C 13 41.492 0.201 . 1 . . . . . 10 ILE CB . 27203 1 6 . 1 1 10 10 ILE N N 15 126.295 0.000 . 1 . . . . . 10 ILE N . 27203 1 7 . 1 1 11 11 GLU H H 1 8.521 0.000 . 1 . . . . . 11 GLU H . 27203 1 8 . 1 1 11 11 GLU CA C 13 55.231 0.133 . 1 . . . . . 11 GLU CA . 27203 1 9 . 1 1 11 11 GLU CB C 13 31.743 0.076 . 1 . . . . . 11 GLU CB . 27203 1 10 . 1 1 11 11 GLU N N 15 127.107 0.000 . 1 . . . . . 11 GLU N . 27203 1 11 . 1 1 12 12 ILE H H 1 9.357 0.000 . 1 . . . . . 12 ILE H . 27203 1 12 . 1 1 12 12 ILE CA C 13 60.633 0.066 . 1 . . . . . 12 ILE CA . 27203 1 13 . 1 1 12 12 ILE CB C 13 42.959 0.067 . 1 . . . . . 12 ILE CB . 27203 1 14 . 1 1 12 12 ILE N N 15 126.701 0.000 . 1 . . . . . 12 ILE N . 27203 1 15 . 1 1 13 13 MET H H 1 7.606 0.000 . 1 . . . . . 13 MET H . 27203 1 16 . 1 1 13 13 MET CA C 13 54.164 0.133 . 1 . . . . . 13 MET CA . 27203 1 17 . 1 1 13 13 MET CB C 13 33.748 0.073 . 1 . . . . . 13 MET CB . 27203 1 18 . 1 1 13 13 MET N N 15 124.365 0.000 . 1 . . . . . 13 MET N . 27203 1 19 . 1 1 14 14 LEU H H 1 8.820 0.000 . 1 . . . . . 14 LEU H . 27203 1 20 . 1 1 14 14 LEU CA C 13 52.896 0.066 . 1 . . . . . 14 LEU CA . 27203 1 21 . 1 1 14 14 LEU CB C 13 46.593 0.033 . 1 . . . . . 14 LEU CB . 27203 1 22 . 1 1 14 14 LEU N N 15 122.638 0.000 . 1 . . . . . 14 LEU N . 27203 1 23 . 1 1 15 15 LYS H H 1 8.769 0.000 . 1 . . . . . 15 LYS H . 27203 1 24 . 1 1 15 15 LYS CA C 13 54.875 0.089 . 1 . . . . . 15 LYS CA . 27203 1 25 . 1 1 15 15 LYS CB C 13 33.727 0.161 . 1 . . . . . 15 LYS CB . 27203 1 26 . 1 1 15 15 LYS N N 15 123.349 0.000 . 1 . . . . . 15 LYS N . 27203 1 27 . 1 1 16 16 LYS H H 1 8.947 0.000 . 1 . . . . . 16 LYS H . 27203 1 28 . 1 1 16 16 LYS CA C 13 57.599 0.100 . 1 . . . . . 16 LYS CA . 27203 1 29 . 1 1 16 16 LYS CB C 13 32.254 0.167 . 1 . . . . . 16 LYS CB . 27203 1 30 . 1 1 16 16 LYS N N 15 127.107 0.000 . 1 . . . . . 16 LYS N . 27203 1 31 . 1 1 17 17 GLY H H 1 7.350 0.000 . 1 . . . . . 17 GLY H . 27203 1 32 . 1 1 17 17 GLY CA C 13 45.093 0.000 . 1 . . . . . 17 GLY CA . 27203 1 33 . 1 1 17 17 GLY N N 15 116.545 0.000 . 1 . . . . . 17 GLY N . 27203 1 34 . 1 1 23 23 PHE CA C 13 56.765 0.000 . 1 . . . . . 23 PHE CA . 27203 1 35 . 1 1 23 23 PHE CB C 13 41.892 0.000 . 1 . . . . . 23 PHE CB . 27203 1 36 . 1 1 24 24 SER H H 1 8.993 0.000 . 1 . . . . . 24 SER H . 27203 1 37 . 1 1 24 24 SER CA C 13 55.131 0.100 . 1 . . . . . 24 SER CA . 27203 1 38 . 1 1 24 24 SER CB C 13 67.270 0.033 . 1 . . . . . 24 SER CB . 27203 1 39 . 1 1 24 24 SER N N 15 116.341 0.000 . 1 . . . . . 24 SER N . 27203 1 40 . 1 1 25 25 VAL H H 1 8.932 0.000 . 1 . . . . . 25 VAL H . 27203 1 41 . 1 1 25 25 VAL CA C 13 59.667 0.167 . 1 . . . . . 25 VAL CA . 27203 1 42 . 1 1 25 25 VAL CB C 13 35.823 0.066 . 1 . . . . . 25 VAL CB . 27203 1 43 . 1 1 25 25 VAL N N 15 112.888 0.000 . 1 . . . . . 25 VAL N . 27203 1 44 . 1 1 26 26 THR H H 1 9.250 0.000 . 1 . . . . . 26 THR H . 27203 1 45 . 1 1 26 26 THR CA C 13 60.033 0.000 . 1 . . . . . 26 THR CA . 27203 1 46 . 1 1 26 26 THR CB C 13 70.271 0.100 . 1 . . . . . 26 THR CB . 27203 1 47 . 1 1 26 26 THR N N 15 113.904 0.000 . 1 . . . . . 26 THR N . 27203 1 48 . 1 1 27 27 THR H H 1 8.273 0.000 . 1 . . . . . 27 THR H . 27203 1 49 . 1 1 27 27 THR CA C 13 61.067 0.100 . 1 . . . . . 27 THR CA . 27203 1 50 . 1 1 27 27 THR CB C 13 71.072 0.034 . 1 . . . . . 27 THR CB . 27203 1 51 . 1 1 27 27 THR N N 15 115.224 0.000 . 1 . . . . . 27 THR N . 27203 1 52 . 1 1 28 28 ARG H H 1 9.024 0.000 . 1 . . . . . 28 ARG H . 27203 1 53 . 1 1 28 28 ARG CA C 13 56.398 0.100 . 1 . . . . . 28 ARG CA . 27203 1 54 . 1 1 28 28 ARG CB C 13 31.653 0.167 . 1 . . . . . 28 ARG CB . 27203 1 55 . 1 1 28 28 ARG N N 15 121.318 0.000 . 1 . . . . . 28 ARG N . 27203 1 56 . 1 1 29 29 ASP H H 1 8.355 0.000 . 1 . . . . . 29 ASP H . 27203 1 57 . 1 1 29 29 ASP CA C 13 50.584 6.336 . 1 . . . . . 29 ASP CA . 27203 1 58 . 1 1 29 29 ASP CB C 13 41.358 0.000 . 1 . . . . . 29 ASP CB . 27203 1 59 . 1 1 29 29 ASP N N 15 119.591 0.000 . 1 . . . . . 29 ASP N . 27203 1 60 . 1 1 30 30 ASN H H 1 8.384 0.000 . 1 . . . . . 30 ASN H . 27203 1 61 . 1 1 30 30 ASN CA C 13 51.896 0.000 . 1 . . . . . 30 ASN CA . 27203 1 62 . 1 1 30 30 ASN CB C 13 40.291 0.000 . 1 . . . . . 30 ASN CB . 27203 1 63 . 1 1 30 30 ASN N N 15 119.621 0.000 . 1 . . . . . 30 ASN N . 27203 1 64 . 1 1 37 37 PRO CA C 13 63.035 0.000 . 1 . . . . . 37 PRO CA . 27203 1 65 . 1 1 37 37 PRO CB C 13 32.754 0.000 . 1 . . . . . 37 PRO CB . 27203 1 66 . 1 1 38 38 ILE H H 1 8.170 0.000 . 1 . . . . . 38 ILE H . 27203 1 67 . 1 1 38 38 ILE CA C 13 59.066 0.033 . 1 . . . . . 38 ILE CA . 27203 1 68 . 1 1 38 38 ILE CB C 13 38.990 0.100 . 1 . . . . . 38 ILE CB . 27203 1 69 . 1 1 38 38 ILE N N 15 119.998 0.000 . 1 . . . . . 38 ILE N . 27203 1 70 . 1 1 39 39 TYR H H 1 8.937 0.000 . 1 . . . . . 39 TYR H . 27203 1 71 . 1 1 39 39 TYR CA C 13 56.398 0.100 . 1 . . . . . 39 TYR CA . 27203 1 72 . 1 1 39 39 TYR CB C 13 42.759 0.000 . 1 . . . . . 39 TYR CB . 27203 1 73 . 1 1 39 39 TYR N N 15 122.943 0.000 . 1 . . . . . 39 TYR N . 27203 1 74 . 1 1 40 40 ILE H H 1 9.270 0.000 . 1 . . . . . 40 ILE H . 27203 1 75 . 1 1 40 40 ILE CA C 13 60.701 0.066 . 1 . . . . . 40 ILE CA . 27203 1 76 . 1 1 40 40 ILE CB C 13 35.556 0.133 . 1 . . . . . 40 ILE CB . 27203 1 77 . 1 1 40 40 ILE N N 15 119.591 0.000 . 1 . . . . . 40 ILE N . 27203 1 78 . 1 1 41 41 LYS H H 1 9.410 0.000 . 1 . . . . . 41 LYS H . 27203 1 79 . 1 1 41 41 LYS CA C 13 58.065 0.167 . 1 . . . . . 41 LYS CA . 27203 1 80 . 1 1 41 41 LYS CB C 13 32.987 0.034 . 1 . . . . . 41 LYS CB . 27203 1 81 . 1 1 41 41 LYS N N 15 108.318 0.000 . 1 . . . . . 41 LYS N . 27203 1 82 . 1 1 42 42 ASN H H 1 7.483 0.000 . 1 . . . . . 42 ASN H . 27203 1 83 . 1 1 42 42 ASN CA C 13 52.196 0.034 . 1 . . . . . 42 ASN CA . 27203 1 84 . 1 1 42 42 ASN CB C 13 41.859 0.167 . 1 . . . . . 42 ASN CB . 27203 1 85 . 1 1 42 42 ASN N N 15 112.177 0.000 . 1 . . . . . 42 ASN N . 27203 1 86 . 1 1 43 43 ILE H H 1 8.665 0.000 . 1 . . . . . 43 ILE H . 27203 1 87 . 1 1 43 43 ILE CA C 13 59.033 0.200 . 1 . . . . . 43 ILE CA . 27203 1 88 . 1 1 43 43 ILE CB C 13 36.056 0.034 . 1 . . . . . 43 ILE CB . 27203 1 89 . 1 1 43 43 ILE N N 15 121.420 0.000 . 1 . . . . . 43 ILE N . 27203 1 90 . 1 1 44 44 LEU H H 1 8.037 0.000 . 1 . . . . . 44 LEU H . 27203 1 91 . 1 1 44 44 LEU CA C 13 54.431 0.000 . 1 . . . . . 44 LEU CA . 27203 1 92 . 1 1 44 44 LEU CB C 13 40.091 0.000 . 1 . . . . . 44 LEU CB . 27203 1 93 . 1 1 44 44 LEU N N 15 128.935 0.000 . 1 . . . . . 44 LEU N . 27203 1 94 . 1 1 46 46 ARG CA C 13 54.898 0.000 . 1 . . . . . 46 ARG CA . 27203 1 95 . 1 1 46 46 ARG CB C 13 32.954 0.000 . 1 . . . . . 46 ARG CB . 27203 1 96 . 1 1 47 47 GLY H H 1 8.421 0.000 . 1 . . . . . 47 GLY H . 27203 1 97 . 1 1 47 47 GLY CA C 13 44.092 0.066 . 1 . . . . . 47 GLY CA . 27203 1 98 . 1 1 47 47 GLY N N 15 108.216 0.000 . 1 . . . . . 47 GLY N . 27203 1 99 . 1 1 48 48 ALA H H 1 7.603 0.000 . 1 . . . . . 48 ALA H . 27203 1 100 . 1 1 48 48 ALA CA C 13 55.365 0.134 . 1 . . . . . 48 ALA CA . 27203 1 101 . 1 1 48 48 ALA CB C 13 20.348 0.134 . 1 . . . . . 48 ALA CB . 27203 1 102 . 1 1 48 48 ALA N N 15 118.068 0.000 . 1 . . . . . 48 ALA N . 27203 1 103 . 1 1 49 49 ALA H H 1 8.611 0.000 . 1 . . . . . 49 ALA H . 27203 1 104 . 1 1 49 49 ALA CA C 13 55.998 0.100 . 1 . . . . . 49 ALA CA . 27203 1 105 . 1 1 49 49 ALA CB C 13 18.781 0.100 . 1 . . . . . 49 ALA CB . 27203 1 106 . 1 1 49 49 ALA N N 15 118.474 0.000 . 1 . . . . . 49 ALA N . 27203 1 107 . 1 1 50 50 ILE H H 1 9.669 0.000 . 1 . . . . . 50 ILE H . 27203 1 108 . 1 1 50 50 ILE CA C 13 64.335 0.234 . 1 . . . . . 50 ILE CA . 27203 1 109 . 1 1 50 50 ILE CB C 13 37.090 0.000 . 1 . . . . . 50 ILE CB . 27203 1 110 . 1 1 50 50 ILE N N 15 124.060 0.000 . 1 . . . . . 50 ILE N . 27203 1 111 . 1 1 51 51 GLU H H 1 7.021 0.000 . 1 . . . . . 51 GLU H . 27203 1 112 . 1 1 51 51 GLU CA C 13 58.866 0.100 . 1 . . . . . 51 GLU CA . 27203 1 113 . 1 1 51 51 GLU CB C 13 29.553 0.000 . 1 . . . . . 51 GLU CB . 27203 1 114 . 1 1 51 51 GLU N N 15 122.740 0.000 . 1 . . . . . 51 GLU N . 27203 1 115 . 1 1 52 52 ASP H H 1 7.915 0.000 . 1 . . . . . 52 ASP H . 27203 1 116 . 1 1 52 52 ASP CA C 13 57.099 0.200 . 1 . . . . . 52 ASP CA . 27203 1 117 . 1 1 52 52 ASP CB C 13 44.727 0.033 . 1 . . . . . 52 ASP CB . 27203 1 118 . 1 1 52 52 ASP N N 15 118.576 0.000 . 1 . . . . . 52 ASP N . 27203 1 119 . 1 1 53 53 GLY H H 1 7.937 0.000 . 1 . . . . . 53 GLY H . 27203 1 120 . 1 1 53 53 GLY CA C 13 46.761 0.000 . 1 . . . . . 53 GLY CA . 27203 1 121 . 1 1 53 53 GLY N N 15 129.138 0.000 . 1 . . . . . 53 GLY N . 27203 1 122 . 1 1 61 61 LEU CA C 13 55.236 0.000 . 1 . . . . . 61 LEU CA . 27203 1 123 . 1 1 61 61 LEU CB C 13 42.892 0.000 . 1 . . . . . 61 LEU CB . 27203 1 124 . 1 1 62 62 LEU H H 1 9.046 0.000 . 1 . . . . . 62 LEU H . 27203 1 125 . 1 1 62 62 LEU CA C 13 56.098 0.000 . 1 . . . . . 62 LEU CA . 27203 1 126 . 1 1 62 62 LEU CB C 13 43.592 0.034 . 1 . . . . . 62 LEU CB . 27203 1 127 . 1 1 62 62 LEU N N 15 126.498 0.000 . 1 . . . . . 62 LEU N . 27203 1 128 . 1 1 63 63 GLU H H 1 8.013 0.000 . 1 . . . . . 63 GLU H . 27203 1 129 . 1 1 63 63 GLU CA C 13 56.231 0.400 . 1 . . . . . 63 GLU CA . 27203 1 130 . 1 1 63 63 GLU CB C 13 36.087 0.069 . 1 . . . . . 63 GLU CB . 27203 1 131 . 1 1 63 63 GLU N N 15 118.713 0.000 . 1 . . . . . 63 GLU N . 27203 1 132 . 1 1 64 64 VAL H H 1 8.055 0.000 . 1 . . . . . 64 VAL H . 27203 1 133 . 1 1 64 64 VAL CA C 13 61.967 0.201 . 1 . . . . . 64 VAL CA . 27203 1 134 . 1 1 64 64 VAL CB C 13 35.288 0.066 . 1 . . . . . 64 VAL CB . 27203 1 135 . 1 1 64 64 VAL N N 15 120.302 0.000 . 1 . . . . . 64 VAL N . 27203 1 136 . 1 1 65 65 ASP H H 1 10.171 0.000 . 1 . . . . . 65 ASP H . 27203 1 137 . 1 1 65 65 ASP CA C 13 56.281 0.084 . 1 . . . . . 65 ASP CA . 27203 1 138 . 1 1 65 65 ASP CB C 13 40.520 0.171 . 1 . . . . . 65 ASP CB . 27203 1 139 . 1 1 65 65 ASP N N 15 130.154 0.000 . 1 . . . . . 65 ASP N . 27203 1 140 . 1 1 66 66 GLY H H 1 9.027 0.000 . 1 . . . . . 66 GLY H . 27203 1 141 . 1 1 66 66 GLY CA C 13 45.682 0.145 . 1 . . . . . 66 GLY CA . 27203 1 142 . 1 1 66 66 GLY N N 15 130.763 0.000 . 1 . . . . . 66 GLY N . 27203 1 143 . 1 1 67 67 THR H H 1 8.197 0.000 . 1 . . . . . 67 THR H . 27203 1 144 . 1 1 67 67 THR CA C 13 60.300 0.000 . 1 . . . . . 67 THR CA . 27203 1 145 . 1 1 67 67 THR CB C 13 39.224 0.000 . 1 . . . . . 67 THR CB . 27203 1 146 . 1 1 67 67 THR N N 15 120.404 0.000 . 1 . . . . . 67 THR N . 27203 1 147 . 1 1 69 69 MET CA C 13 54.497 0.000 . 1 . . . . . 69 MET CA . 27203 1 148 . 1 1 69 69 MET CB C 13 35.422 0.000 . 1 . . . . . 69 MET CB . 27203 1 149 . 1 1 70 70 THR H H 1 7.580 0.000 . 1 . . . . . 70 THR H . 27203 1 150 . 1 1 70 70 THR CA C 13 65.236 0.000 . 1 . . . . . 70 THR CA . 27203 1 151 . 1 1 70 70 THR CB C 13 69.137 0.034 . 1 . . . . . 70 THR CB . 27203 1 152 . 1 1 70 70 THR N N 15 114.818 0.000 . 1 . . . . . 70 THR N . 27203 1 153 . 1 1 71 71 GLY H H 1 8.882 0.000 . 1 . . . . . 71 GLY H . 27203 1 154 . 1 1 71 71 GLY CA C 13 45.860 0.167 . 1 . . . . . 71 GLY CA . 27203 1 155 . 1 1 71 71 GLY N N 15 116.151 0.000 . 1 . . . . . 71 GLY N . 27203 1 156 . 1 1 72 72 LYS H H 1 7.791 0.000 . 1 . . . . . 72 LYS H . 27203 1 157 . 1 1 72 72 LYS CA C 13 55.364 0.000 . 1 . . . . . 72 LYS CA . 27203 1 158 . 1 1 72 72 LYS CB C 13 34.121 0.166 . 1 . . . . . 72 LYS CB . 27203 1 159 . 1 1 72 72 LYS N N 15 119.998 0.000 . 1 . . . . . 72 LYS N . 27203 1 160 . 1 1 73 73 THR H H 1 8.866 0.000 . 1 . . . . . 73 THR H . 27203 1 161 . 1 1 73 73 THR CA C 13 60.633 0.066 . 1 . . . . . 73 THR CA . 27203 1 162 . 1 1 73 73 THR CB C 13 71.872 0.100 . 1 . . . . . 73 THR CB . 27203 1 163 . 1 1 73 73 THR N N 15 110.857 0.000 . 1 . . . . . 73 THR N . 27203 1 164 . 1 1 74 74 GLN H H 1 9.191 0.000 . 1 . . . . . 74 GLN H . 27203 1 165 . 1 1 74 74 GLN CA C 13 60.967 0.133 . 1 . . . . . 74 GLN CA . 27203 1 166 . 1 1 74 74 GLN CB C 13 28.319 0.300 . 1 . . . . . 74 GLN CB . 27203 1 167 . 1 1 74 74 GLN N N 15 120.404 0.000 . 1 . . . . . 74 GLN N . 27203 1 168 . 1 1 75 75 THR H H 1 7.929 0.000 . 1 . . . . . 75 THR H . 27203 1 169 . 1 1 75 75 THR CA C 13 66.169 0.000 . 1 . . . . . 75 THR CA . 27203 1 170 . 1 1 75 75 THR CB C 13 68.737 0.100 . 1 . . . . . 75 THR CB . 27203 1 171 . 1 1 75 75 THR N N 15 111.568 0.000 . 1 . . . . . 75 THR N . 27203 1 172 . 1 1 76 76 ASP H H 1 7.733 0.000 . 1 . . . . . 76 ASP H . 27203 1 173 . 1 1 76 76 ASP CA C 13 57.584 0.115 . 1 . . . . . 76 ASP CA . 27203 1 174 . 1 1 76 76 ASP CB C 13 41.324 0.168 . 1 . . . . . 76 ASP CB . 27203 1 175 . 1 1 76 76 ASP N N 15 123.248 0.000 . 1 . . . . . 76 ASP N . 27203 1 176 . 1 1 77 77 VAL H H 1 8.082 0.000 . 1 . . . . . 77 VAL H . 27203 1 177 . 1 1 77 77 VAL CA C 13 67.456 0.114 . 1 . . . . . 77 VAL CA . 27203 1 178 . 1 1 77 77 VAL CB C 13 31.719 0.035 . 1 . . . . . 77 VAL CB . 27203 1 179 . 1 1 77 77 VAL N N 15 120.268 0.000 . 1 . . . . . 77 VAL N . 27203 1 180 . 1 1 78 78 VAL H H 1 8.265 0.000 . 1 . . . . . 78 VAL H . 27203 1 181 . 1 1 78 78 VAL CA C 13 67.430 0.111 . 1 . . . . . 78 VAL CA . 27203 1 182 . 1 1 78 78 VAL CB C 13 31.934 0.115 . 1 . . . . . 78 VAL CB . 27203 1 183 . 1 1 78 78 VAL N N 15 119.490 0.000 . 1 . . . . . 78 VAL N . 27203 1 184 . 1 1 79 79 ALA H H 1 7.737 0.000 . 1 . . . . . 79 ALA H . 27203 1 185 . 1 1 79 79 ALA CA C 13 55.698 0.133 . 1 . . . . . 79 ALA CA . 27203 1 186 . 1 1 79 79 ALA CB C 13 18.281 0.133 . 1 . . . . . 79 ALA CB . 27203 1 187 . 1 1 79 79 ALA N N 15 120.912 0.000 . 1 . . . . . 79 ALA N . 27203 1 188 . 1 1 80 80 ILE H H 1 7.963 0.000 . 1 . . . . . 80 ILE H . 27203 1 189 . 1 1 80 80 ILE CA C 13 65.302 0.133 . 1 . . . . . 80 ILE CA . 27203 1 190 . 1 1 80 80 ILE CB C 13 38.857 0.100 . 1 . . . . . 80 ILE CB . 27203 1 191 . 1 1 80 80 ILE N N 15 121.318 0.000 . 1 . . . . . 80 ILE N . 27203 1 192 . 1 1 81 81 LEU H H 1 8.062 0.000 . 1 . . . . . 81 LEU H . 27203 1 193 . 1 1 81 81 LEU CA C 13 58.132 0.100 . 1 . . . . . 81 LEU CA . 27203 1 194 . 1 1 81 81 LEU CB C 13 41.012 0.079 . 1 . . . . . 81 LEU CB . 27203 1 195 . 1 1 81 81 LEU N N 15 118.677 0.000 . 1 . . . . . 81 LEU N . 27203 1 196 . 1 1 82 82 ARG H H 1 8.569 0.000 . 1 . . . . . 82 ARG H . 27203 1 197 . 1 1 82 82 ARG CA C 13 58.833 0.000 . 1 . . . . . 82 ARG CA . 27203 1 198 . 1 1 82 82 ARG CB C 13 30.753 0.133 . 1 . . . . . 82 ARG CB . 27203 1 199 . 1 1 82 82 ARG N N 15 118.880 0.000 . 1 . . . . . 82 ARG N . 27203 1 200 . 1 1 83 83 GLY H H 1 7.743 0.000 . 1 . . . . . 83 GLY H . 27203 1 201 . 1 1 83 83 GLY CA C 13 45.827 0.000 . 1 . . . . . 83 GLY CA . 27203 1 202 . 1 1 83 83 GLY N N 15 130.357 0.000 . 1 . . . . . 83 GLY N . 27203 1 203 . 1 1 85 85 PRO CA C 13 62.901 0.000 . 1 . . . . . 85 PRO CA . 27203 1 204 . 1 1 85 85 PRO CB C 13 32.354 0.000 . 1 . . . . . 85 PRO CB . 27203 1 205 . 1 1 86 86 ALA H H 1 8.457 0.000 . 1 . . . . . 86 ALA H . 27203 1 206 . 1 1 86 86 ALA CA C 13 54.230 0.066 . 1 . . . . . 86 ALA CA . 27203 1 207 . 1 1 86 86 ALA CB C 13 18.281 0.133 . 1 . . . . . 86 ALA CB . 27203 1 208 . 1 1 86 86 ALA N N 15 123.045 0.000 . 1 . . . . . 86 ALA N . 27203 1 209 . 1 1 87 87 GLY H H 1 8.983 0.000 . 1 . . . . . 87 GLY H . 27203 1 210 . 1 1 87 87 GLY CA C 13 45.394 0.033 . 1 . . . . . 87 GLY CA . 27203 1 211 . 1 1 87 87 GLY N N 15 111.974 0.000 . 1 . . . . . 87 GLY N . 27203 1 212 . 1 1 88 88 ALA H H 1 7.779 0.000 . 1 . . . . . 88 ALA H . 27203 1 213 . 1 1 88 88 ALA CA C 13 52.697 0.000 . 1 . . . . . 88 ALA CA . 27203 1 214 . 1 1 88 88 ALA CB C 13 20.348 0.134 . 1 . . . . . 88 ALA CB . 27203 1 215 . 1 1 88 88 ALA N N 15 122.841 0.000 . 1 . . . . . 88 ALA N . 27203 1 216 . 1 1 89 89 THR H H 1 8.561 0.000 . 1 . . . . . 89 THR H . 27203 1 217 . 1 1 89 89 THR CA C 13 62.835 0.066 . 1 . . . . . 89 THR CA . 27203 1 218 . 1 1 89 89 THR CB C 13 69.504 0.000 . 1 . . . . . 89 THR CB . 27203 1 219 . 1 1 89 89 THR N N 15 116.849 0.000 . 1 . . . . . 89 THR N . 27203 1 220 . 1 1 90 90 VAL H H 1 9.454 0.000 . 1 . . . . . 90 VAL H . 27203 1 221 . 1 1 90 90 VAL CA C 13 61.000 0.100 . 1 . . . . . 90 VAL CA . 27203 1 222 . 1 1 90 90 VAL CB C 13 34.555 0.200 . 1 . . . . . 90 VAL CB . 27203 1 223 . 1 1 90 90 VAL N N 15 129.138 0.000 . 1 . . . . . 90 VAL N . 27203 1 224 . 1 1 91 91 ARG H H 1 9.112 0.000 . 1 . . . . . 91 ARG H . 27203 1 225 . 1 1 91 91 ARG CA C 13 56.065 0.100 . 1 . . . . . 91 ARG CA . 27203 1 226 . 1 1 91 91 ARG CB C 13 32.087 0.200 . 1 . . . . . 91 ARG CB . 27203 1 227 . 1 1 91 91 ARG N N 15 128.326 0.000 . 1 . . . . . 91 ARG N . 27203 1 228 . 1 1 92 92 ILE H H 1 9.296 0.000 . 1 . . . . . 92 ILE H . 27203 1 229 . 1 1 92 92 ILE CA C 13 59.833 0.133 . 1 . . . . . 92 ILE CA . 27203 1 230 . 1 1 92 92 ILE CB C 13 40.625 0.067 . 1 . . . . . 92 ILE CB . 27203 1 231 . 1 1 92 92 ILE N N 15 128.123 0.000 . 1 . . . . . 92 ILE N . 27203 1 232 . 1 1 93 93 VAL H H 1 8.396 0.000 . 1 . . . . . 93 VAL H . 27203 1 233 . 1 1 93 93 VAL CA C 13 61.368 0.133 . 1 . . . . . 93 VAL CA . 27203 1 234 . 1 1 93 93 VAL CB C 13 34.221 0.066 . 1 . . . . . 93 VAL CB . 27203 1 235 . 1 1 93 93 VAL N N 15 125.076 0.000 . 1 . . . . . 93 VAL N . 27203 1 236 . 1 1 94 94 VAL H H 1 8.994 0.000 . 1 . . . . . 94 VAL H . 27203 1 237 . 1 1 94 94 VAL CA C 13 58.232 0.066 . 1 . . . . . 94 VAL CA . 27203 1 238 . 1 1 94 94 VAL CB C 13 36.556 0.067 . 1 . . . . . 94 VAL CB . 27203 1 239 . 1 1 94 94 VAL N N 15 119.795 0.000 . 1 . . . . . 94 VAL N . 27203 1 240 . 1 1 95 95 SER H H 1 9.058 0.000 . 1 . . . . . 95 SER H . 27203 1 241 . 1 1 95 95 SER CA C 13 56.465 0.100 . 1 . . . . . 95 SER CA . 27203 1 242 . 1 1 95 95 SER CB C 13 66.069 0.100 . 1 . . . . . 95 SER CB . 27203 1 243 . 1 1 95 95 SER N N 15 112.380 0.000 . 1 . . . . . 95 SER N . 27203 1 244 . 1 1 96 96 ARG H H 1 8.852 0.000 . 1 . . . . . 96 ARG H . 27203 1 245 . 1 1 96 96 ARG CA C 13 55.397 0.034 . 1 . . . . . 96 ARG CA . 27203 1 246 . 1 1 96 96 ARG CB C 13 34.322 0.100 . 1 . . . . . 96 ARG CB . 27203 1 247 . 1 1 96 96 ARG N N 15 125.584 0.000 . 1 . . . . . 96 ARG N . 27203 1 248 . 1 1 97 97 GLN H H 1 8.807 0.000 . 1 . . . . . 97 GLN H . 27203 1 249 . 1 1 97 97 GLN CA C 13 56.597 0.000 . 1 . . . . . 97 GLN CA . 27203 1 250 . 1 1 97 97 GLN CB C 13 29.992 0.000 . 1 . . . . . 97 GLN CB . 27203 1 251 . 1 1 97 97 GLN N N 15 125.584 0.000 . 1 . . . . . 97 GLN N . 27203 1 stop_ save_