################################### # 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 7111 _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 NCA 1 $sample_1 microcrystalline 7111 1 2 NCO 1 $sample_1 microcrystalline 7111 1 3 '13C-13C PDSD' 1 $sample_1 microcrystalline 7111 1 4 '3D NCOCX' 1 $sample_1 microcrystalline 7111 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 $Sparky . . 7111 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 C C 13 170.6 0.1 . 1 . . . . 1 MET C . 7111 1 2 . 1 1 1 1 MET CA C 13 54.4 0.1 . 1 . . . . 1 MET CA . 7111 1 3 . 1 1 2 2 GLN C C 13 176.2 0.1 . 1 . . . . 2 GLN C . 7111 1 4 . 1 1 2 2 GLN CA C 13 54.9 0.1 . 1 . . . . 2 GLN CA . 7111 1 5 . 1 1 2 2 GLN CB C 13 30.8 0.1 . 1 . . . . 2 GLN CB . 7111 1 6 . 1 1 2 2 GLN N N 15 125.4 0.1 . 1 . . . . 2 GLN N . 7111 1 7 . 1 1 3 3 ILE C C 13 171.7 0.1 . 1 . . . . 3 ILE C . 7111 1 8 . 1 1 3 3 ILE CA C 13 59.5 0.1 . 1 . . . . 3 ILE CA . 7111 1 9 . 1 1 3 3 ILE CB C 13 42.4 0.1 . 1 . . . . 3 ILE CB . 7111 1 10 . 1 1 3 3 ILE CG1 C 13 25.4 0.1 . 1 . . . . 3 ILE CG1 . 7111 1 11 . 1 1 3 3 ILE CG2 C 13 18.1 0.1 . 1 . . . . 3 ILE CG2 . 7111 1 12 . 1 1 3 3 ILE CD1 C 13 14.3 0.1 . 1 . . . . 3 ILE CD1 . 7111 1 13 . 1 1 3 3 ILE N N 15 116.4 0.1 . 1 . . . . 3 ILE N . 7111 1 14 . 1 1 4 4 PHE C C 13 175.3 0.1 . 1 . . . . 4 PHE C . 7111 1 15 . 1 1 4 4 PHE CA C 13 54.6 0.1 . 1 . . . . 4 PHE CA . 7111 1 16 . 1 1 4 4 PHE CB C 13 41.2 0.1 . 1 . . . . 4 PHE CB . 7111 1 17 . 1 1 4 4 PHE CG C 13 140.0 0.1 . 1 . . . . 4 PHE CG . 7111 1 18 . 1 1 4 4 PHE CD1 C 13 132.3 0.3 . 1 . . . . 4 PHE CD1 . 7111 1 19 . 1 1 4 4 PHE CE1 C 13 131.2 0.3 . 1 . . . . 4 PHE CE1 . 7111 1 20 . 1 1 4 4 PHE CZ C 13 129.4 0.2 . 1 . . . . 4 PHE CZ . 7111 1 21 . 1 1 4 4 PHE N N 15 118.9 0.1 . 1 . . . . 4 PHE N . 7111 1 22 . 1 1 5 5 VAL C C 13 174.4 0.1 . 1 . . . . 5 VAL C . 7111 1 23 . 1 1 5 5 VAL CA C 13 60.7 0.1 . 1 . . . . 5 VAL CA . 7111 1 24 . 1 1 5 5 VAL CB C 13 35.1 0.1 . 1 . . . . 5 VAL CB . 7111 1 25 . 1 1 5 5 VAL CG1 C 13 23.1 0.1 . 1 . . . . 5 VAL CG1 . 7111 1 26 . 1 1 5 5 VAL CG2 C 13 20.9 0.1 . 1 . . . . 5 VAL CG2 . 7111 1 27 . 1 1 5 5 VAL N N 15 120.9 0.1 . 1 . . . . 5 VAL N . 7111 1 28 . 1 1 6 6 LYS C C 13 177.5 0.1 . 1 . . . . 6 LYS C . 7111 1 29 . 1 1 6 6 LYS CA C 13 54.3 0.1 . 1 . . . . 6 LYS CA . 7111 1 30 . 1 1 6 6 LYS CB C 13 35.5 0.1 . 1 . . . . 6 LYS CB . 7111 1 31 . 1 1 6 6 LYS CG C 13 22.7 0.1 . 1 . . . . 6 LYS CG . 7111 1 32 . 1 1 6 6 LYS N N 15 128.7 0.2 . 1 . . . . 6 LYS N . 7111 1 33 . 1 1 7 7 THR CA C 13 60.5 0.1 . 1 . . . . 7 THR CA . 7111 1 34 . 1 1 7 7 THR CB C 13 70.4 0.2 . 1 . . . . 7 THR CB . 7111 1 35 . 1 1 7 7 THR CG2 C 13 21.7 0.2 . 1 . . . . 7 THR CG2 . 7111 1 36 . 1 1 7 7 THR N N 15 118.5 0.1 . 1 . . . . 7 THR N . 7111 1 37 . 1 1 12 12 THR C C 13 174.1 0.1 . 1 . . . . 12 THR C . 7111 1 38 . 1 1 12 12 THR CA C 13 62.2 0.2 . 1 . . . . 12 THR CA . 7111 1 39 . 1 1 12 12 THR CB C 13 69.4 0.2 . 1 . . . . 12 THR CB . 7111 1 40 . 1 1 12 12 THR CG2 C 13 22.5 0.3 . 1 . . . . 12 THR CG2 . 7111 1 41 . 1 1 13 13 ILE C C 13 175.5 0.1 . 1 . . . . 13 ILE C . 7111 1 42 . 1 1 13 13 ILE CA C 13 60.2 0.2 . 1 . . . . 13 ILE CA . 7111 1 43 . 1 1 13 13 ILE CB C 13 41.2 0.1 . 1 . . . . 13 ILE CB . 7111 1 44 . 1 1 13 13 ILE CG1 C 13 27.3 0.1 . 1 . . . . 13 ILE CG1 . 7111 1 45 . 1 1 13 13 ILE CG2 C 13 17.6 0.1 . 1 . . . . 13 ILE CG2 . 7111 1 46 . 1 1 13 13 ILE CD1 C 13 14.8 0.1 . 1 . . . . 13 ILE CD1 . 7111 1 47 . 1 1 13 13 ILE N N 15 128.3 0.1 . 1 . . . . 13 ILE N . 7111 1 48 . 1 1 14 14 THR C C 13 173.6 0.1 . 1 . . . . 14 THR C . 7111 1 49 . 1 1 14 14 THR CA C 13 62.2 0.1 . 1 . . . . 14 THR CA . 7111 1 50 . 1 1 14 14 THR CB C 13 69.6 0.1 . 1 . . . . 14 THR CB . 7111 1 51 . 1 1 14 14 THR CG2 C 13 22.5 0.1 . 1 . . . . 14 THR CG2 . 7111 1 52 . 1 1 14 14 THR N N 15 122.2 0.2 . 1 . . . . 14 THR N . 7111 1 53 . 1 1 15 15 LEU C C 13 174.8 0.1 . 1 . . . . 15 LEU C . 7111 1 54 . 1 1 15 15 LEU CA C 13 52.8 0.1 . 1 . . . . 15 LEU CA . 7111 1 55 . 1 1 15 15 LEU CB C 13 47.3 0.1 . 1 . . . . 15 LEU CB . 7111 1 56 . 1 1 15 15 LEU CG C 13 27.3 0.1 . 1 . . . . 15 LEU CG . 7111 1 57 . 1 1 15 15 LEU CD1 C 13 26.9 0.1 . 1 . . . . 15 LEU CD1 . 7111 1 58 . 1 1 15 15 LEU CD2 C 13 24.1 0.1 . 1 . . . . 15 LEU CD2 . 7111 1 59 . 1 1 15 15 LEU N N 15 125.0 0.1 . 1 . . . . 15 LEU N . 7111 1 60 . 1 1 16 16 GLU C C 13 175.9 0.1 . 1 . . . . 16 GLU C . 7111 1 61 . 1 1 16 16 GLU CA C 13 54.8 0.1 . 1 . . . . 16 GLU CA . 7111 1 62 . 1 1 16 16 GLU CB C 13 29.9 0.1 . 1 . . . . 16 GLU CB . 7111 1 63 . 1 1 16 16 GLU CG C 13 35.4 0.1 . 1 . . . . 16 GLU CG . 7111 1 64 . 1 1 16 16 GLU N N 15 123.0 0.1 . 1 . . . . 16 GLU N . 7111 1 65 . 1 1 17 17 VAL C C 13 174.4 0.1 . 1 . . . . 17 VAL C . 7111 1 66 . 1 1 17 17 VAL CA C 13 58.5 0.1 . 1 . . . . 17 VAL CA . 7111 1 67 . 1 1 17 17 VAL CB C 13 35.8 0.1 . 1 . . . . 17 VAL CB . 7111 1 68 . 1 1 17 17 VAL CG1 C 13 22.2 0.1 . 1 . . . . 17 VAL CG1 . 7111 1 69 . 1 1 17 17 VAL CG2 C 13 19.8 0.1 . 1 . . . . 17 VAL CG2 . 7111 1 70 . 1 1 17 17 VAL N N 15 119.4 0.1 . 1 . . . . 17 VAL N . 7111 1 71 . 1 1 18 18 GLU C C 13 176.5 0.1 . 1 . . . . 18 GLU C . 7111 1 72 . 1 1 18 18 GLU CA C 13 52.6 0.1 . 1 . . . . 18 GLU CA . 7111 1 73 . 1 1 18 18 GLU CB C 13 30.8 0.1 . 1 . . . . 18 GLU CB . 7111 1 74 . 1 1 18 18 GLU CG C 13 36.1 0.1 . 1 . . . . 18 GLU CG . 7111 1 75 . 1 1 18 18 GLU CD C 13 183.1 0.1 . 1 . . . . 18 GLU CD . 7111 1 76 . 1 1 18 18 GLU N N 15 119.8 0.1 . 1 . . . . 18 GLU N . 7111 1 77 . 1 1 19 19 PRO C C 13 175.3 0.1 . 1 . . . . 19 PRO C . 7111 1 78 . 1 1 19 19 PRO CA C 13 65.1 0.1 . 1 . . . . 19 PRO CA . 7111 1 79 . 1 1 19 19 PRO CB C 13 32.2 0.1 . 1 . . . . 19 PRO CB . 7111 1 80 . 1 1 19 19 PRO CG C 13 28.0 0.1 . 1 . . . . 19 PRO CG . 7111 1 81 . 1 1 19 19 PRO CD C 13 50.4 0.1 . 1 . . . . 19 PRO CD . 7111 1 82 . 1 1 19 19 PRO N N 15 133.7 0.1 . 1 . . . . 19 PRO N . 7111 1 83 . 1 1 20 20 SER C C 13 173.7 0.1 . 1 . . . . 20 SER C . 7111 1 84 . 1 1 20 20 SER CA C 13 57.0 0.1 . 1 . . . . 20 SER CA . 7111 1 85 . 1 1 20 20 SER CB C 13 63.6 0.1 . 1 . . . . 20 SER CB . 7111 1 86 . 1 1 20 20 SER N N 15 103.5 0.1 . 1 . . . . 20 SER N . 7111 1 87 . 1 1 21 21 ASP C C 13 176.3 0.1 . 1 . . . . 21 ASP C . 7111 1 88 . 1 1 21 21 ASP CA C 13 55.2 0.1 . 1 . . . . 21 ASP CA . 7111 1 89 . 1 1 21 21 ASP CB C 13 40.5 0.1 . 1 . . . . 21 ASP CB . 7111 1 90 . 1 1 21 21 ASP CG C 13 179.3 0.1 . 1 . . . . 21 ASP CG . 7111 1 91 . 1 1 21 21 ASP N N 15 125.6 0.1 . 1 . . . . 21 ASP N . 7111 1 92 . 1 1 22 22 THR C C 13 176.9 0.1 . 1 . . . . 22 THR C . 7111 1 93 . 1 1 22 22 THR CA C 13 60.4 0.1 . 1 . . . . 22 THR CA . 7111 1 94 . 1 1 22 22 THR CB C 13 72.0 0.1 . 1 . . . . 22 THR CB . 7111 1 95 . 1 1 22 22 THR CG2 C 13 22.1 0.1 . 1 . . . . 22 THR CG2 . 7111 1 96 . 1 1 22 22 THR N N 15 110.9 0.2 . 1 . . . . 22 THR N . 7111 1 97 . 1 1 23 23 ILE C C 13 178.5 0.1 . 1 . . . . 23 ILE C . 7111 1 98 . 1 1 23 23 ILE CA C 13 62.0 0.1 . 1 . . . . 23 ILE CA . 7111 1 99 . 1 1 23 23 ILE CB C 13 35.0 0.1 . 1 . . . . 23 ILE CB . 7111 1 100 . 1 1 23 23 ILE CG1 C 13 27.2 0.1 . 1 . . . . 23 ILE CG1 . 7111 1 101 . 1 1 23 23 ILE CG2 C 13 18.0 0.1 . 1 . . . . 23 ILE CG2 . 7111 1 102 . 1 1 23 23 ILE CD1 C 13 8.5 0.1 . 1 . . . . 23 ILE CD1 . 7111 1 103 . 1 1 23 23 ILE N N 15 119.6 0.2 . 1 . . . . 23 ILE N . 7111 1 104 . 1 1 24 24 GLU C C 13 178.8 0.1 . 1 . . . . 24 GLU C . 7111 1 105 . 1 1 24 24 GLU CA C 13 59.9 0.1 . 1 . . . . 24 GLU CA . 7111 1 106 . 1 1 24 24 GLU CB C 13 27.8 0.1 . 1 . . . . 24 GLU CB . 7111 1 107 . 1 1 24 24 GLU N N 15 119.7 0.2 . 1 . . . . 24 GLU N . 7111 1 108 . 1 1 25 25 ASN C C 13 176.9 0.1 . 1 . . . . 25 ASN C . 7111 1 109 . 1 1 25 25 ASN CA C 13 55.9 0.1 . 1 . . . . 25 ASN CA . 7111 1 110 . 1 1 25 25 ASN CB C 13 38.2 0.1 . 1 . . . . 25 ASN CB . 7111 1 111 . 1 1 25 25 ASN N N 15 118.9 0.1 . 1 . . . . 25 ASN N . 7111 1 112 . 1 1 26 26 VAL C C 13 178.3 0.1 . 1 . . . . 26 VAL C . 7111 1 113 . 1 1 26 26 VAL CA C 13 67.9 0.1 . 1 . . . . 26 VAL CA . 7111 1 114 . 1 1 26 26 VAL CB C 13 31.0 0.1 . 1 . . . . 26 VAL CB . 7111 1 115 . 1 1 26 26 VAL CG1 C 13 21.6 0.1 . 1 . . . . 26 VAL CG1 . 7111 1 116 . 1 1 26 26 VAL CG2 C 13 23.4 0.1 . 1 . . . . 26 VAL CG2 . 7111 1 117 . 1 1 26 26 VAL N N 15 119.2 0.1 . 1 . . . . 26 VAL N . 7111 1 118 . 1 1 27 27 LYS C C 13 180.4 0.1 . 1 . . . . 27 LYS C . 7111 1 119 . 1 1 27 27 LYS CA C 13 59.3 0.1 . 1 . . . . 27 LYS CA . 7111 1 120 . 1 1 27 27 LYS CB C 13 34.3 0.1 . 1 . . . . 27 LYS CB . 7111 1 121 . 1 1 27 27 LYS CG C 13 26.1 0.1 . 1 . . . . 27 LYS CG . 7111 1 122 . 1 1 27 27 LYS CD C 13 30.5 0.1 . 1 . . . . 27 LYS CD . 7111 1 123 . 1 1 27 27 LYS CE C 13 42.4 0.1 . 1 . . . . 27 LYS CE . 7111 1 124 . 1 1 27 27 LYS N N 15 117.4 0.1 . 1 . . . . 27 LYS N . 7111 1 125 . 1 1 28 28 ALA C C 13 180.7 0.1 . 1 . . . . 28 ALA C . 7111 1 126 . 1 1 28 28 ALA CA C 13 55.7 0.1 . 1 . . . . 28 ALA CA . 7111 1 127 . 1 1 28 28 ALA CB C 13 18.7 0.1 . 1 . . . . 28 ALA CB . 7111 1 128 . 1 1 28 28 ALA N N 15 125.9 0.2 . 1 . . . . 28 ALA N . 7111 1 129 . 1 1 29 29 LYS C C 13 180.6 0.1 . 1 . . . . 29 LYS C . 7111 1 130 . 1 1 29 29 LYS CA C 13 60.5 0.1 . 1 . . . . 29 LYS CA . 7111 1 131 . 1 1 29 29 LYS CB C 13 33.3 0.1 . 1 . . . . 29 LYS CB . 7111 1 132 . 1 1 29 29 LYS CG C 13 27.4 0.1 . 1 . . . . 29 LYS CG . 7111 1 133 . 1 1 29 29 LYS CD C 13 30.3 0.1 . 1 . . . . 29 LYS CD . 7111 1 134 . 1 1 29 29 LYS CE C 13 42.7 0.1 . 1 . . . . 29 LYS CE . 7111 1 135 . 1 1 29 29 LYS N N 15 122.1 0.1 . 1 . . . . 29 LYS N . 7111 1 136 . 1 1 30 30 ILE C C 13 178.4 0.1 . 1 . . . . 30 ILE C . 7111 1 137 . 1 1 30 30 ILE CA C 13 66.1 0.1 . 1 . . . . 30 ILE CA . 7111 1 138 . 1 1 30 30 ILE CB C 13 36.8 0.1 . 1 . . . . 30 ILE CB . 7111 1 139 . 1 1 30 30 ILE CG1 C 13 31.2 0.1 . 1 . . . . 30 ILE CG1 . 7111 1 140 . 1 1 30 30 ILE CG2 C 13 16.6 0.1 . 1 . . . . 30 ILE CG2 . 7111 1 141 . 1 1 30 30 ILE CD1 C 13 15.6 0.1 . 1 . . . . 30 ILE CD1 . 7111 1 142 . 1 1 30 30 ILE N N 15 122.1 0.1 . 1 . . . . 30 ILE N . 7111 1 143 . 1 1 31 31 GLN C C 13 179.0 0.1 . 1 . . . . 31 GLN C . 7111 1 144 . 1 1 31 31 GLN CA C 13 59.6 0.1 . 1 . . . . 31 GLN CA . 7111 1 145 . 1 1 31 31 GLN CB C 13 27.9 0.1 . 1 . . . . 31 GLN CB . 7111 1 146 . 1 1 31 31 GLN CG C 13 32.6 0.1 . 1 . . . . 31 GLN CG . 7111 1 147 . 1 1 31 31 GLN CD C 13 177.1 0.1 . 1 . . . . 31 GLN CD . 7111 1 148 . 1 1 31 31 GLN N N 15 126.0 0.2 . 1 . . . . 31 GLN N . 7111 1 149 . 1 1 31 31 GLN NE2 N 15 106.3 0.2 . 1 . . . . 31 GLN NE . 7111 1 150 . 1 1 32 32 ASP C C 13 176.7 0.1 . 1 . . . . 32 ASP C . 7111 1 151 . 1 1 32 32 ASP CA C 13 56.2 0.1 . 1 . . . . 32 ASP CA . 7111 1 152 . 1 1 32 32 ASP CB C 13 41.7 0.1 . 1 . . . . 32 ASP CB . 7111 1 153 . 1 1 32 32 ASP N N 15 118.8 0.1 . 1 . . . . 32 ASP N . 7111 1 154 . 1 1 33 33 LYS C C 13 178.0 0.1 . 1 . . . . 33 LYS C . 7111 1 155 . 1 1 33 33 LYS CA C 13 58.7 0.1 . 1 . . . . 33 LYS CA . 7111 1 156 . 1 1 33 33 LYS CB C 13 34.3 0.1 . 1 . . . . 33 LYS CB . 7111 1 157 . 1 1 33 33 LYS CG C 13 26.5 0.1 . 1 . . . . 33 LYS CG . 7111 1 158 . 1 1 33 33 LYS CD C 13 29.7 0.1 . 1 . . . . 33 LYS CD . 7111 1 159 . 1 1 33 33 LYS CE C 13 41.6 0.1 . 1 . . . . 33 LYS CE . 7111 1 160 . 1 1 33 33 LYS N N 15 113.3 0.1 . 1 . . . . 33 LYS N . 7111 1 161 . 1 1 34 34 GLU C C 13 178.4 0.1 . 1 . . . . 34 GLU C . 7111 1 162 . 1 1 34 34 GLU CA C 13 55.6 0.1 . 1 . . . . 34 GLU CA . 7111 1 163 . 1 1 34 34 GLU CB C 13 32.8 0.1 . 1 . . . . 34 GLU CB . 7111 1 164 . 1 1 34 34 GLU N N 15 113.5 0.1 . 1 . . . . 34 GLU N . 7111 1 165 . 1 1 35 35 GLY C C 13 173.3 0.2 . 1 . . . . 35 GLY C . 7111 1 166 . 1 1 35 35 GLY CA C 13 45.6 0.1 . 1 . . . . 35 GLY CA . 7111 1 167 . 1 1 35 35 GLY N N 15 110.8 0.1 . 1 . . . . 35 GLY N . 7111 1 168 . 1 1 36 36 ILE C C 13 173.0 0.1 . 1 . . . . 36 ILE C . 7111 1 169 . 1 1 36 36 ILE CA C 13 57.8 0.1 . 1 . . . . 36 ILE CA . 7111 1 170 . 1 1 36 36 ILE CB C 13 40.3 0.1 . 1 . . . . 36 ILE CB . 7111 1 171 . 1 1 36 36 ILE CG1 C 13 27.7 0.1 . 1 . . . . 36 ILE CG1 . 7111 1 172 . 1 1 36 36 ILE CG2 C 13 17.7 0.1 . 1 . . . . 36 ILE CG2 . 7111 1 173 . 1 1 36 36 ILE CD1 C 13 14.1 0.1 . 1 . . . . 36 ILE CD1 . 7111 1 174 . 1 1 36 36 ILE N N 15 120.7 0.1 . 1 . . . . 36 ILE N . 7111 1 175 . 1 1 37 37 PRO C C 13 176.6 0.1 . 1 . . . . 37 PRO C . 7111 1 176 . 1 1 37 37 PRO CA C 13 61.7 0.1 . 1 . . . . 37 PRO CA . 7111 1 177 . 1 1 37 37 PRO CB C 13 32.1 0.1 . 1 . . . . 37 PRO CB . 7111 1 178 . 1 1 37 37 PRO CG C 13 28.4 0.2 . 1 . . . . 37 PRO CG . 7111 1 179 . 1 1 37 37 PRO CD C 13 50.9 0.1 . 1 . . . . 37 PRO CD . 7111 1 180 . 1 1 37 37 PRO N N 15 141.8 0.1 . 1 . . . . 37 PRO N . 7111 1 181 . 1 1 38 38 PRO C C 13 178.3 0.1 . 1 . . . . 38 PRO C . 7111 1 182 . 1 1 38 38 PRO CA C 13 66.4 0.1 . 1 . . . . 38 PRO CA . 7111 1 183 . 1 1 38 38 PRO CB C 13 33.5 0.1 . 1 . . . . 38 PRO CB . 7111 1 184 . 1 1 38 38 PRO CG C 13 27.9 0.1 . 1 . . . . 38 PRO CG . 7111 1 185 . 1 1 38 38 PRO CD C 13 51.3 0.1 . 1 . . . . 38 PRO CD . 7111 1 186 . 1 1 38 38 PRO N N 15 135.5 0.1 . 1 . . . . 38 PRO N . 7111 1 187 . 1 1 39 39 ASP C C 13 176.6 0.1 . 1 . . . . 39 ASP C . 7111 1 188 . 1 1 39 39 ASP CA C 13 55.5 0.1 . 1 . . . . 39 ASP CA . 7111 1 189 . 1 1 39 39 ASP CB C 13 40.6 0.1 . 1 . . . . 39 ASP CB . 7111 1 190 . 1 1 39 39 ASP N N 15 113.3 0.1 . 1 . . . . 39 ASP N . 7111 1 191 . 1 1 40 40 GLN C C 13 175.2 0.1 . 1 . . . . 40 GLN C . 7111 1 192 . 1 1 40 40 GLN CA C 13 55.5 0.1 . 1 . . . . 40 GLN CA . 7111 1 193 . 1 1 40 40 GLN CB C 13 29.7 0.1 . 1 . . . . 40 GLN CB . 7111 1 194 . 1 1 40 40 GLN N N 15 117.2 0.1 . 1 . . . . 40 GLN N . 7111 1 195 . 1 1 41 41 GLN C C 13 176.7 0.1 . 1 . . . . 41 GLN C . 7111 1 196 . 1 1 41 41 GLN CA C 13 55.9 0.1 . 1 . . . . 41 GLN CA . 7111 1 197 . 1 1 41 41 GLN CB C 13 32.8 0.2 . 1 . . . . 41 GLN CB . 7111 1 198 . 1 1 41 41 GLN CG C 13 32.7 0.3 . 1 . . . . 41 GLN CG . 7111 1 199 . 1 1 41 41 GLN CD C 13 174.6 0.1 . 1 . . . . 41 GLN CD . 7111 1 200 . 1 1 41 41 GLN N N 15 118.8 0.1 . 1 . . . . 41 GLN N . 7111 1 201 . 1 1 41 41 GLN NE2 N 15 105.8 0.1 . 1 . . . . 41 GLN NE . 7111 1 202 . 1 1 42 42 ARG C C 13 174.3 0.1 . 1 . . . . 42 ARG C . 7111 1 203 . 1 1 42 42 ARG CA C 13 54.6 0.1 . 1 . . . . 42 ARG CA . 7111 1 204 . 1 1 42 42 ARG CB C 13 33.6 0.1 . 1 . . . . 42 ARG CB . 7111 1 205 . 1 1 42 42 ARG CG C 13 26.6 0.1 . 1 . . . . 42 ARG CG . 7111 1 206 . 1 1 42 42 ARG N N 15 121.2 0.2 . 1 . . . . 42 ARG N . 7111 1 207 . 1 1 43 43 LEU C C 13 175.5 0.1 . 1 . . . . 43 LEU C . 7111 1 208 . 1 1 43 43 LEU CA C 13 52.7 0.1 . 1 . . . . 43 LEU CA . 7111 1 209 . 1 1 43 43 LEU CB C 13 45.8 0.1 . 1 . . . . 43 LEU CB . 7111 1 210 . 1 1 43 43 LEU CG C 13 27.1 0.1 . 1 . . . . 43 LEU CG . 7111 1 211 . 1 1 43 43 LEU CD1 C 13 26.7 0.1 . 1 . . . . 43 LEU CD1 . 7111 1 212 . 1 1 43 43 LEU CD2 C 13 24.1 0.1 . 1 . . . . 43 LEU CD2 . 7111 1 213 . 1 1 43 43 LEU N N 15 123.8 0.2 . 1 . . . . 43 LEU N . 7111 1 214 . 1 1 44 44 ILE C C 13 176.1 0.1 . 1 . . . . 44 ILE C . 7111 1 215 . 1 1 44 44 ILE CA C 13 59.0 0.1 . 1 . . . . 44 ILE CA . 7111 1 216 . 1 1 44 44 ILE CB C 13 42.6 0.1 . 1 . . . . 44 ILE CB . 7111 1 217 . 1 1 44 44 ILE CG1 C 13 28.8 0.1 . 1 . . . . 44 ILE CG1 . 7111 1 218 . 1 1 44 44 ILE CG2 C 13 17.7 0.1 . 1 . . . . 44 ILE CG2 . 7111 1 219 . 1 1 44 44 ILE CD1 C 13 14.2 0.1 . 1 . . . . 44 ILE CD1 . 7111 1 220 . 1 1 44 44 ILE N N 15 123.0 0.1 . 1 . . . . 44 ILE N . 7111 1 221 . 1 1 45 45 PHE C C 13 174.3 0.1 . 1 . . . . 45 PHE C . 7111 1 222 . 1 1 45 45 PHE CA C 13 59.5 0.1 . 1 . . . . 45 PHE CA . 7111 1 223 . 1 1 45 45 PHE CB C 13 43.9 0.1 . 1 . . . . 45 PHE CB . 7111 1 224 . 1 1 45 45 PHE CG C 13 137.3 0.2 . 1 . . . . 45 PHE CG . 7111 1 225 . 1 1 45 45 PHE CD1 C 13 132.5 0.5 . 1 . . . . 45 PHE CD1 . 7111 1 226 . 1 1 45 45 PHE CE1 C 13 131.0 0.5 . 1 . . . . 45 PHE CE1 . 7111 1 227 . 1 1 45 45 PHE N N 15 125.5 0.1 . 1 . . . . 45 PHE N . 7111 1 228 . 1 1 46 46 ALA C C 13 178.0 0.1 . 1 . . . . 46 ALA C . 7111 1 229 . 1 1 46 46 ALA CA C 13 51.9 0.1 . 1 . . . . 46 ALA CA . 7111 1 230 . 1 1 46 46 ALA CB C 13 17.1 0.1 . 1 . . . . 46 ALA CB . 7111 1 231 . 1 1 46 46 ALA N N 15 132.8 0.1 . 1 . . . . 46 ALA N . 7111 1 232 . 1 1 47 47 GLY C C 13 173.6 0.1 . 1 . . . . 47 GLY C . 7111 1 233 . 1 1 47 47 GLY CA C 13 45.6 0.1 . 1 . . . . 47 GLY CA . 7111 1 234 . 1 1 47 47 GLY N N 15 103.2 0.1 . 1 . . . . 47 GLY N . 7111 1 235 . 1 1 48 48 LYS C C 13 174.8 0.1 . 1 . . . . 48 LYS C . 7111 1 236 . 1 1 48 48 LYS CA C 13 54.2 0.1 . 1 . . . . 48 LYS CA . 7111 1 237 . 1 1 48 48 LYS CB C 13 34.9 0.1 . 1 . . . . 48 LYS CB . 7111 1 238 . 1 1 48 48 LYS CD C 13 29.1 0.1 . 1 . . . . 48 LYS CD . 7111 1 239 . 1 1 48 48 LYS CE C 13 44.0 0.1 . 1 . . . . 48 LYS CE . 7111 1 240 . 1 1 48 48 LYS N N 15 121.0 0.1 . 1 . . . . 48 LYS N . 7111 1 241 . 1 1 49 49 GLN C C 13 176.1 0.1 . 1 . . . . 49 GLN C . 7111 1 242 . 1 1 49 49 GLN CA C 13 56.1 0.1 . 1 . . . . 49 GLN CA . 7111 1 243 . 1 1 49 49 GLN CB C 13 27.9 0.1 . 1 . . . . 49 GLN CB . 7111 1 244 . 1 1 49 49 GLN N N 15 122.8 0.1 . 1 . . . . 49 GLN N . 7111 1 245 . 1 1 50 50 LEU C C 13 176.9 0.1 . 1 . . . . 50 LEU C . 7111 1 246 . 1 1 50 50 LEU CA C 13 54.5 0.1 . 1 . . . . 50 LEU CA . 7111 1 247 . 1 1 50 50 LEU CB C 13 40.7 0.1 . 1 . . . . 50 LEU CB . 7111 1 248 . 1 1 50 50 LEU CG C 13 26.1 0.3 . 1 . . . . 50 LEU CG . 7111 1 249 . 1 1 50 50 LEU CD1 C 13 26.1 0.3 . 1 . . . . 50 LEU CD1 . 7111 1 250 . 1 1 50 50 LEU CD2 C 13 19.5 0.1 . 1 . . . . 50 LEU CD2 . 7111 1 251 . 1 1 50 50 LEU N N 15 128.6 0.1 . 1 . . . . 50 LEU N . 7111 1 252 . 1 1 51 51 GLU C C 13 174.8 0.1 . 1 . . . . 51 GLU C . 7111 1 253 . 1 1 51 51 GLU CA C 13 56.2 0.1 . 1 . . . . 51 GLU CA . 7111 1 254 . 1 1 51 51 GLU CB C 13 32.6 0.1 . 1 . . . . 51 GLU CB . 7111 1 255 . 1 1 51 51 GLU N N 15 124.7 0.2 . 1 . . . . 51 GLU N . 7111 1 256 . 1 1 52 52 ASP C C 13 176.8 0.1 . 1 . . . . 52 ASP C . 7111 1 257 . 1 1 52 52 ASP CA C 13 56.1 0.1 . 1 . . . . 52 ASP CA . 7111 1 258 . 1 1 52 52 ASP CB C 13 38.2 0.1 . 1 . . . . 52 ASP CB . 7111 1 259 . 1 1 52 52 ASP N N 15 122.4 0.1 . 1 . . . . 52 ASP N . 7111 1 260 . 1 1 53 53 GLY C C 13 174.4 0.1 . 1 . . . . 53 GLY C . 7111 1 261 . 1 1 53 53 GLY CA C 13 44.9 0.1 . 1 . . . . 53 GLY CA . 7111 1 262 . 1 1 53 53 GLY N N 15 113.6 0.1 . 1 . . . . 53 GLY N . 7111 1 263 . 1 1 54 54 ARG C C 13 175.5 0.1 . 1 . . . . 54 ARG C . 7111 1 264 . 1 1 54 54 ARG CA C 13 53.8 0.1 . 1 . . . . 54 ARG CA . 7111 1 265 . 1 1 54 54 ARG CB C 13 32.8 0.1 . 1 . . . . 54 ARG CB . 7111 1 266 . 1 1 54 54 ARG CG C 13 27.3 0.1 . 1 . . . . 54 ARG CG . 7111 1 267 . 1 1 54 54 ARG CD C 13 44.9 0.1 . 1 . . . . 54 ARG CD . 7111 1 268 . 1 1 54 54 ARG N N 15 119.5 0.1 . 1 . . . . 54 ARG N . 7111 1 269 . 1 1 55 55 THR C C 13 176.6 0.1 . 1 . . . . 55 THR C . 7111 1 270 . 1 1 55 55 THR CA C 13 59.5 0.1 . 1 . . . . 55 THR CA . 7111 1 271 . 1 1 55 55 THR CB C 13 72.6 0.1 . 1 . . . . 55 THR CB . 7111 1 272 . 1 1 55 55 THR CG2 C 13 22.8 0.1 . 1 . . . . 55 THR CG2 . 7111 1 273 . 1 1 55 55 THR N N 15 109.7 0.2 . 1 . . . . 55 THR N . 7111 1 274 . 1 1 56 56 LEU C C 13 180.4 0.1 . 1 . . . . 56 LEU C . 7111 1 275 . 1 1 56 56 LEU CA C 13 58.7 0.1 . 1 . . . . 56 LEU CA . 7111 1 276 . 1 1 56 56 LEU CB C 13 40.5 0.1 . 1 . . . . 56 LEU CB . 7111 1 277 . 1 1 56 56 LEU CD1 C 13 27.1 0.3 . 1 . . . . 56 LEU CD1 . 7111 1 278 . 1 1 56 56 LEU CD2 C 13 22.4 0.1 . 1 . . . . 56 LEU CD2 . 7111 1 279 . 1 1 56 56 LEU N N 15 118.2 0.1 . 1 . . . . 56 LEU N . 7111 1 280 . 1 1 57 57 SER C C 13 178.4 0.1 . 1 . . . . 57 SER C . 7111 1 281 . 1 1 57 57 SER CA C 13 61.6 0.1 . 1 . . . . 57 SER CA . 7111 1 282 . 1 1 57 57 SER CB C 13 62.5 0.2 . 1 . . . . 57 SER CB . 7111 1 283 . 1 1 57 57 SER N N 15 113.5 0.1 . 1 . . . . 57 SER N . 7111 1 284 . 1 1 58 58 ASP C C 13 177.8 0.1 . 1 . . . . 58 ASP C . 7111 1 285 . 1 1 58 58 ASP CA C 13 57.7 0.1 . 1 . . . . 58 ASP CA . 7111 1 286 . 1 1 58 58 ASP CB C 13 40.4 0.1 . 1 . . . . 58 ASP CB . 7111 1 287 . 1 1 58 58 ASP N N 15 125.6 0.1 . 1 . . . . 58 ASP N . 7111 1 288 . 1 1 59 59 TYR C C 13 174.3 0.1 . 1 . . . . 59 TYR C . 7111 1 289 . 1 1 59 59 TYR CA C 13 59.0 0.1 . 1 . . . . 59 TYR CA . 7111 1 290 . 1 1 59 59 TYR CB C 13 40.3 0.1 . 1 . . . . 59 TYR CB . 7111 1 291 . 1 1 59 59 TYR CG C 13 133.0 0.7 . 1 . . . . 59 TYR CG . 7111 1 292 . 1 1 59 59 TYR CD1 C 13 133.0 0.7 . 1 . . . . 59 TYR CD1 . 7111 1 293 . 1 1 59 59 TYR CE1 C 13 118.4 0.2 . 1 . . . . 59 TYR CE1 . 7111 1 294 . 1 1 59 59 TYR CZ C 13 157.2 0.2 . 1 . . . . 59 TYR CZ . 7111 1 295 . 1 1 59 59 TYR N N 15 115.8 0.1 . 1 . . . . 59 TYR N . 7111 1 296 . 1 1 60 60 ASN C C 13 173.0 0.1 . 1 . . . . 60 ASN C . 7111 1 297 . 1 1 60 60 ASN CA C 13 53.0 0.1 . 1 . . . . 60 ASN CA . 7111 1 298 . 1 1 60 60 ASN CB C 13 37.3 0.1 . 1 . . . . 60 ASN CB . 7111 1 299 . 1 1 60 60 ASN N N 15 118.9 0.1 . 1 . . . . 60 ASN N . 7111 1 300 . 1 1 61 61 ILE C C 13 175.1 0.1 . 1 . . . . 61 ILE C . 7111 1 301 . 1 1 61 61 ILE CA C 13 61.9 0.1 . 1 . . . . 61 ILE CA . 7111 1 302 . 1 1 61 61 ILE CB C 13 37.1 0.1 . 1 . . . . 61 ILE CB . 7111 1 303 . 1 1 61 61 ILE CG1 C 13 28.4 0.1 . 1 . . . . 61 ILE CG1 . 7111 1 304 . 1 1 61 61 ILE CG2 C 13 16.8 0.1 . 1 . . . . 61 ILE CG2 . 7111 1 305 . 1 1 61 61 ILE CD1 C 13 14.9 0.1 . 1 . . . . 61 ILE CD1 . 7111 1 306 . 1 1 61 61 ILE N N 15 118.0 0.1 . 1 . . . . 61 ILE N . 7111 1 307 . 1 1 62 62 GLN C C 13 176.6 0.1 . 1 . . . . 62 GLN C . 7111 1 308 . 1 1 62 62 GLN CA C 13 53.8 0.1 . 1 . . . . 62 GLN CA . 7111 1 309 . 1 1 62 62 GLN CB C 13 29.1 0.1 . 1 . . . . 62 GLN CB . 7111 1 310 . 1 1 62 62 GLN N N 15 127.9 0.1 . 1 . . . . 62 GLN N . 7111 1 311 . 1 1 63 63 LYS C C 13 173.8 0.1 . 1 . . . . 63 LYS C . 7111 1 312 . 1 1 63 63 LYS CA C 13 57.5 0.1 . 1 . . . . 63 LYS CA . 7111 1 313 . 1 1 63 63 LYS CB C 13 32.8 0.1 . 1 . . . . 63 LYS CB . 7111 1 314 . 1 1 63 63 LYS CG C 13 23.5 0.1 . 1 . . . . 63 LYS CG . 7111 1 315 . 1 1 63 63 LYS CD C 13 27.7 0.1 . 1 . . . . 63 LYS CD . 7111 1 316 . 1 1 63 63 LYS CE C 13 42.0 0.1 . 1 . . . . 63 LYS CE . 7111 1 317 . 1 1 63 63 LYS N N 15 120.3 0.2 . 1 . . . . 63 LYS N . 7111 1 318 . 1 1 64 64 GLU C C 13 174.5 0.1 . 1 . . . . 64 GLU C . 7111 1 319 . 1 1 64 64 GLU CA C 13 58.4 0.1 . 1 . . . . 64 GLU CA . 7111 1 320 . 1 1 64 64 GLU CB C 13 26.3 0.1 . 1 . . . . 64 GLU CB . 7111 1 321 . 1 1 64 64 GLU N N 15 110.6 0.1 . 1 . . . . 64 GLU N . 7111 1 322 . 1 1 65 65 SER C C 13 171.6 0.1 . 1 . . . . 65 SER C . 7111 1 323 . 1 1 65 65 SER CA C 13 60.3 0.1 . 1 . . . . 65 SER CA . 7111 1 324 . 1 1 65 65 SER CB C 13 64.4 0.1 . 1 . . . . 65 SER CB . 7111 1 325 . 1 1 65 65 SER N N 15 112.6 0.2 . 1 . . . . 65 SER N . 7111 1 326 . 1 1 66 66 THR C C 13 174.1 0.1 . 1 . . . . 66 THR C . 7111 1 327 . 1 1 66 66 THR CA C 13 61.7 0.1 . 1 . . . . 66 THR CA . 7111 1 328 . 1 1 66 66 THR CB C 13 68.4 0.2 . 1 . . . . 66 THR CB . 7111 1 329 . 1 1 66 66 THR CG2 C 13 21.5 0.3 . 1 . . . . 66 THR CG2 . 7111 1 330 . 1 1 66 66 THR N N 15 121.0 0.1 . 1 . . . . 66 THR N . 7111 1 331 . 1 1 67 67 LEU C C 13 175.6 0.1 . 1 . . . . 67 LEU C . 7111 1 332 . 1 1 67 67 LEU CA C 13 53.9 0.1 . 1 . . . . 67 LEU CA . 7111 1 333 . 1 1 67 67 LEU CB C 13 42.9 0.1 . 1 . . . . 67 LEU CB . 7111 1 334 . 1 1 67 67 LEU CG C 13 28.6 0.1 . 1 . . . . 67 LEU CG . 7111 1 335 . 1 1 67 67 LEU CD1 C 13 25.3 0.1 . 1 . . . . 67 LEU CD1 . 7111 1 336 . 1 1 67 67 LEU CD2 C 13 23.6 0.1 . 1 . . . . 67 LEU CD2 . 7111 1 337 . 1 1 67 67 LEU N N 15 124.7 0.1 . 1 . . . . 67 LEU N . 7111 1 338 . 1 1 68 68 HIS C C 13 173.5 0.1 . 1 . . . . 68 HIS C . 7111 1 339 . 1 1 68 68 HIS CA C 13 54.7 0.1 . 1 . . . . 68 HIS CA . 7111 1 340 . 1 1 68 68 HIS CB C 13 29.3 0.1 . 1 . . . . 68 HIS CB . 7111 1 341 . 1 1 68 68 HIS CG C 13 130.9 0.1 . 1 . . . . 68 HIS CG . 7111 1 342 . 1 1 68 68 HIS CD2 C 13 122.0 0.1 . 1 . . . . 68 HIS CD2 . 7111 1 343 . 1 1 68 68 HIS CE1 C 13 136.5 0.1 . 1 . . . . 68 HIS CE1 . 7111 1 344 . 1 1 68 68 HIS N N 15 118.8 0.1 . 1 . . . . 68 HIS N . 7111 1 345 . 1 1 69 69 LEU C C 13 175.3 0.1 . 1 . . . . 69 LEU C . 7111 1 346 . 1 1 69 69 LEU CA C 13 54.0 0.1 . 1 . . . . 69 LEU CA . 7111 1 347 . 1 1 69 69 LEU CB C 13 43.9 0.1 . 1 . . . . 69 LEU CB . 7111 1 348 . 1 1 69 69 LEU CG C 13 27.7 0.1 . 1 . . . . 69 LEU CG . 7111 1 349 . 1 1 69 69 LEU CD1 C 13 23.6 0.1 . 1 . . . . 69 LEU CD1 . 7111 1 350 . 1 1 69 69 LEU CD2 C 13 26.3 0.1 . 1 . . . . 69 LEU CD2 . 7111 1 351 . 1 1 69 69 LEU N N 15 125.8 0.1 . 1 . . . . 69 LEU N . 7111 1 352 . 1 1 70 70 VAL CA C 13 60.4 0.1 . 1 . . . . 70 VAL CA . 7111 1 353 . 1 1 70 70 VAL CB C 13 35.1 0.1 . 1 . . . . 70 VAL CB . 7111 1 354 . 1 1 70 70 VAL CG1 C 13 21.7 0.1 . 1 . . . . 70 VAL CG1 . 7111 1 355 . 1 1 70 70 VAL CG2 C 13 20.9 0.1 . 1 . . . . 70 VAL CG2 . 7111 1 356 . 1 1 70 70 VAL N N 15 126.9 0.1 . 1 . . . . 70 VAL N . 7111 1 stop_ save_