################################### # 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 17361 _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 DARR . . . 17361 1 2 NCACX . . . 17361 1 3 NCOCX . . . 17361 1 4 CANCO . . . 17361 1 5 CANCOCX . . . 17361 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 19 19 LEU C C 13 179.667 0.029 . 1 . . . . 19 LEU C . 17361 1 2 . 1 1 19 19 LEU CA C 13 58.510 0.000 . 1 . . . . 19 LEU CA . 17361 1 3 . 1 1 19 19 LEU CB C 13 42.084 0.014 . 1 . . . . 19 LEU CB . 17361 1 4 . 1 1 19 19 LEU CG C 13 27.379 0.000 . 1 . . . . 19 LEU CG . 17361 1 5 . 1 1 19 19 LEU CD1 C 13 22.755 0.000 . 2 . . . . 19 LEU CD1 . 17361 1 6 . 1 1 19 19 LEU CD2 C 13 26.430 0.000 . 2 . . . . 19 LEU CD2 . 17361 1 7 . 1 1 20 20 MET C C 13 180.804 0.059 . 1 . . . . 20 MET C . 17361 1 8 . 1 1 20 20 MET CA C 13 57.400 0.138 . 1 . . . . 20 MET CA . 17361 1 9 . 1 1 20 20 MET CB C 13 34.211 0.054 . 1 . . . . 20 MET CB . 17361 1 10 . 1 1 20 20 MET CG C 13 30.656 0.083 . 1 . . . . 20 MET CG . 17361 1 11 . 1 1 20 20 MET N N 15 115.577 0.101 . 1 . . . . 20 MET N . 17361 1 12 . 1 1 21 21 GLY C C 13 173.946 0.000 . 1 . . . . 21 GLY C . 17361 1 13 . 1 1 21 21 GLY CA C 13 47.925 0.044 . 1 . . . . 21 GLY CA . 17361 1 14 . 1 1 21 21 GLY N N 15 109.977 0.138 . 1 . . . . 21 GLY N . 17361 1 15 . 1 1 34 34 VAL C C 13 175.438 0.047 . 1 . . . . 34 VAL C . 17361 1 16 . 1 1 34 34 VAL CA C 13 63.121 0.036 . 1 . . . . 34 VAL CA . 17361 1 17 . 1 1 34 34 VAL CB C 13 32.176 0.081 . 1 . . . . 34 VAL CB . 17361 1 18 . 1 1 34 34 VAL CG1 C 13 21.796 0.023 . 2 . . . . 34 VAL CG1 . 17361 1 19 . 1 1 34 34 VAL CG2 C 13 22.018 0.000 . 2 . . . . 34 VAL CG2 . 17361 1 20 . 1 1 34 34 VAL N N 15 122.009 0.034 . 1 . . . . 34 VAL N . 17361 1 21 . 1 1 35 35 SER C C 13 174.813 0.063 . 1 . . . . 35 SER C . 17361 1 22 . 1 1 35 35 SER CA C 13 57.936 0.025 . 1 . . . . 35 SER CA . 17361 1 23 . 1 1 35 35 SER CB C 13 64.901 0.032 . 1 . . . . 35 SER CB . 17361 1 24 . 1 1 35 35 SER N N 15 120.905 0.147 . 1 . . . . 35 SER N . 17361 1 25 . 1 1 36 36 ASP C C 13 174.789 0.200 . 1 . . . . 36 ASP C . 17361 1 26 . 1 1 36 36 ASP CA C 13 52.546 0.068 . 1 . . . . 36 ASP CA . 17361 1 27 . 1 1 36 36 ASP CB C 13 43.577 0.082 . 1 . . . . 36 ASP CB . 17361 1 28 . 1 1 36 36 ASP CG C 13 179.410 0.017 . 1 . . . . 36 ASP CG . 17361 1 29 . 1 1 36 36 ASP N N 15 126.512 0.085 . 1 . . . . 36 ASP N . 17361 1 30 . 1 1 37 37 PRO C C 13 179.593 0.098 . 1 . . . . 37 PRO C . 17361 1 31 . 1 1 37 37 PRO CA C 13 65.393 0.081 . 1 . . . . 37 PRO CA . 17361 1 32 . 1 1 37 37 PRO CB C 13 32.285 0.052 . 1 . . . . 37 PRO CB . 17361 1 33 . 1 1 37 37 PRO CG C 13 27.795 0.039 . 1 . . . . 37 PRO CG . 17361 1 34 . 1 1 37 37 PRO CD C 13 51.219 0.026 . 1 . . . . 37 PRO CD . 17361 1 35 . 1 1 37 37 PRO N N 15 139.092 0.196 . 1 . . . . 37 PRO N . 17361 1 36 . 1 1 67 67 THR C C 13 176.629 0.101 . 1 . . . . 67 THR C . 17361 1 37 . 1 1 67 67 THR CA C 13 66.113 0.058 . 1 . . . . 67 THR CA . 17361 1 38 . 1 1 67 67 THR CB C 13 68.444 0.028 . 1 . . . . 67 THR CB . 17361 1 39 . 1 1 67 67 THR CG2 C 13 23.516 0.026 . 1 . . . . 67 THR CG2 . 17361 1 40 . 1 1 67 67 THR N N 15 110.547 0.027 . 1 . . . . 67 THR N . 17361 1 41 . 1 1 68 68 MET C C 13 176.675 0.139 . 1 . . . . 68 MET C . 17361 1 42 . 1 1 68 68 MET CA C 13 52.738 0.039 . 1 . . . . 68 MET CA . 17361 1 43 . 1 1 68 68 MET CB C 13 33.124 0.036 . 1 . . . . 68 MET CB . 17361 1 44 . 1 1 68 68 MET CG C 13 32.348 0.044 . 1 . . . . 68 MET CG . 17361 1 45 . 1 1 68 68 MET CE C 13 17.375 0.005 . 1 . . . . 68 MET CE . 17361 1 46 . 1 1 68 68 MET N N 15 121.788 0.196 . 1 . . . . 68 MET N . 17361 1 47 . 1 1 69 69 VAL C C 13 174.691 0.034 . 1 . . . . 69 VAL C . 17361 1 48 . 1 1 69 69 VAL CA C 13 58.713 0.062 . 1 . . . . 69 VAL CA . 17361 1 49 . 1 1 69 69 VAL CB C 13 35.985 0.005 . 1 . . . . 69 VAL CB . 17361 1 50 . 1 1 69 69 VAL CG1 C 13 22.693 0.050 . 2 . . . . 69 VAL CG1 . 17361 1 51 . 1 1 69 69 VAL CG2 C 13 21.062 0.025 . 2 . . . . 69 VAL CG2 . 17361 1 52 . 1 1 69 69 VAL N N 15 126.001 0.095 . 1 . . . . 69 VAL N . 17361 1 53 . 1 1 70 70 PRO C C 13 176.885 0.076 . 1 . . . . 70 PRO C . 17361 1 54 . 1 1 70 70 PRO CA C 13 61.666 0.041 . 1 . . . . 70 PRO CA . 17361 1 55 . 1 1 70 70 PRO CB C 13 31.471 0.052 . 1 . . . . 70 PRO CB . 17361 1 56 . 1 1 70 70 PRO CG C 13 27.138 0.041 . 1 . . . . 70 PRO CG . 17361 1 57 . 1 1 70 70 PRO CD C 13 51.303 0.078 . 1 . . . . 70 PRO CD . 17361 1 58 . 1 1 70 70 PRO N N 15 143.503 0.104 . 1 . . . . 70 PRO N . 17361 1 59 . 1 1 71 71 PHE C C 13 177.574 0.133 . 1 . . . . 71 PHE C . 17361 1 60 . 1 1 71 71 PHE CA C 13 58.928 0.078 . 1 . . . . 71 PHE CA . 17361 1 61 . 1 1 71 71 PHE CB C 13 40.305 0.045 . 1 . . . . 71 PHE CB . 17361 1 62 . 1 1 71 71 PHE N N 15 114.767 0.127 . 1 . . . . 71 PHE N . 17361 1 63 . 1 1 72 72 GLY C C 13 175.199 0.097 . 1 . . . . 72 GLY C . 17361 1 64 . 1 1 72 72 GLY CA C 13 46.464 0.128 . 1 . . . . 72 GLY CA . 17361 1 65 . 1 1 72 72 GLY N N 15 110.164 0.185 . 1 . . . . 72 GLY N . 17361 1 66 . 1 1 73 73 GLY C C 13 173.614 0.086 . 1 . . . . 73 GLY C . 17361 1 67 . 1 1 73 73 GLY CA C 13 45.001 0.153 . 1 . . . . 73 GLY CA . 17361 1 68 . 1 1 73 73 GLY N N 15 106.204 0.185 . 1 . . . . 73 GLY N . 17361 1 69 . 1 1 74 74 GLU C C 13 174.853 0.104 . 1 . . . . 74 GLU C . 17361 1 70 . 1 1 74 74 GLU CA C 13 53.703 0.104 . 1 . . . . 74 GLU CA . 17361 1 71 . 1 1 74 74 GLU CB C 13 33.101 0.036 . 1 . . . . 74 GLU CB . 17361 1 72 . 1 1 74 74 GLU N N 15 118.139 0.036 . 1 . . . . 74 GLU N . 17361 1 73 . 1 1 75 75 GLN C C 13 175.096 0.077 . 1 . . . . 75 GLN C . 17361 1 74 . 1 1 75 75 GLN CA C 13 55.296 0.061 . 1 . . . . 75 GLN CA . 17361 1 75 . 1 1 75 75 GLN CB C 13 29.046 0.163 . 1 . . . . 75 GLN CB . 17361 1 76 . 1 1 75 75 GLN CG C 13 33.014 0.070 . 1 . . . . 75 GLN CG . 17361 1 77 . 1 1 75 75 GLN N N 15 119.249 0.101 . 1 . . . . 75 GLN N . 17361 1 78 . 1 1 76 76 ASN C C 13 172.439 0.062 . 1 . . . . 76 ASN C . 17361 1 79 . 1 1 76 76 ASN CA C 13 51.393 0.024 . 1 . . . . 76 ASN CA . 17361 1 80 . 1 1 76 76 ASN CB C 13 41.051 0.033 . 1 . . . . 76 ASN CB . 17361 1 81 . 1 1 76 76 ASN CG C 13 175.304 0.029 . 1 . . . . 76 ASN CG . 17361 1 82 . 1 1 76 76 ASN N N 15 122.741 0.130 . 1 . . . . 76 ASN N . 17361 1 83 . 1 1 77 77 PRO C C 13 175.799 0.083 . 1 . . . . 77 PRO C . 17361 1 84 . 1 1 77 77 PRO CA C 13 62.420 0.025 . 1 . . . . 77 PRO CA . 17361 1 85 . 1 1 77 77 PRO CB C 13 32.006 0.058 . 1 . . . . 77 PRO CB . 17361 1 86 . 1 1 77 77 PRO CG C 13 28.031 0.056 . 1 . . . . 77 PRO CG . 17361 1 87 . 1 1 77 77 PRO CD C 13 50.850 0.126 . 1 . . . . 77 PRO CD . 17361 1 88 . 1 1 77 77 PRO N N 15 137.630 0.103 . 1 . . . . 77 PRO N . 17361 1 89 . 1 1 78 78 ILE C C 13 176.422 0.032 . 1 . . . . 78 ILE C . 17361 1 90 . 1 1 78 78 ILE CA C 13 56.870 0.121 . 1 . . . . 78 ILE CA . 17361 1 91 . 1 1 78 78 ILE CB C 13 38.640 0.078 . 1 . . . . 78 ILE CB . 17361 1 92 . 1 1 78 78 ILE CG1 C 13 25.613 0.046 . 1 . . . . 78 ILE CG1 . 17361 1 93 . 1 1 78 78 ILE CG2 C 13 15.958 0.040 . 1 . . . . 78 ILE CG2 . 17361 1 94 . 1 1 78 78 ILE CD1 C 13 10.506 0.028 . 1 . . . . 78 ILE CD1 . 17361 1 95 . 1 1 78 78 ILE N N 15 126.041 0.143 . 1 . . . . 78 ILE N . 17361 1 96 . 1 1 79 79 TYR C C 13 176.539 0.072 . 1 . . . . 79 TYR C . 17361 1 97 . 1 1 79 79 TYR CA C 13 58.356 0.064 . 1 . . . . 79 TYR CA . 17361 1 98 . 1 1 79 79 TYR CB C 13 37.603 0.004 . 1 . . . . 79 TYR CB . 17361 1 99 . 1 1 79 79 TYR N N 15 128.222 0.105 . 1 . . . . 79 TYR N . 17361 1 100 . 1 1 116 116 GLY C C 13 176.323 0.083 . 1 . . . . 116 GLY C . 17361 1 101 . 1 1 116 116 GLY CA C 13 47.719 0.089 . 1 . . . . 116 GLY CA . 17361 1 102 . 1 1 116 116 GLY N N 15 107.717 0.126 . 1 . . . . 116 GLY N . 17361 1 103 . 1 1 117 117 ILE C C 13 178.731 0.038 . 1 . . . . 117 ILE C . 17361 1 104 . 1 1 117 117 ILE CA C 13 65.845 0.083 . 1 . . . . 117 ILE CA . 17361 1 105 . 1 1 117 117 ILE CB C 13 37.426 0.105 . 1 . . . . 117 ILE CB . 17361 1 106 . 1 1 117 117 ILE CG1 C 13 29.849 0.014 . 1 . . . . 117 ILE CG1 . 17361 1 107 . 1 1 117 117 ILE CG2 C 13 16.877 0.064 . 1 . . . . 117 ILE CG2 . 17361 1 108 . 1 1 117 117 ILE CD1 C 13 13.601 0.072 . 1 . . . . 117 ILE CD1 . 17361 1 109 . 1 1 117 117 ILE N N 15 121.341 0.140 . 1 . . . . 117 ILE N . 17361 1 110 . 1 1 118 118 MET C C 13 178.682 0.026 . 1 . . . . 118 MET C . 17361 1 111 . 1 1 118 118 MET CA C 13 59.215 0.066 . 1 . . . . 118 MET CA . 17361 1 112 . 1 1 118 118 MET CB C 13 34.179 0.074 . 1 . . . . 118 MET CB . 17361 1 113 . 1 1 118 118 MET CG C 13 29.922 0.016 . 1 . . . . 118 MET CG . 17361 1 114 . 1 1 118 118 MET N N 15 124.788 0.114 . 1 . . . . 118 MET N . 17361 1 115 . 1 1 119 119 ILE C C 13 178.153 0.019 . 1 . . . . 119 ILE C . 17361 1 116 . 1 1 119 119 ILE CA C 13 61.752 0.035 . 1 . . . . 119 ILE CA . 17361 1 117 . 1 1 119 119 ILE CB C 13 34.206 0.070 . 1 . . . . 119 ILE CB . 17361 1 118 . 1 1 119 119 ILE CG1 C 13 25.841 0.057 . 1 . . . . 119 ILE CG1 . 17361 1 119 . 1 1 119 119 ILE CG2 C 13 19.773 0.038 . 1 . . . . 119 ILE CG2 . 17361 1 120 . 1 1 119 119 ILE CD1 C 13 9.821 0.034 . 1 . . . . 119 ILE CD1 . 17361 1 121 . 1 1 119 119 ILE N N 15 117.783 0.054 . 1 . . . . 119 ILE N . 17361 1 122 . 1 1 120 120 GLY C C 13 175.178 0.073 . 1 . . . . 120 GLY C . 17361 1 123 . 1 1 120 120 GLY CA C 13 47.855 0.068 . 1 . . . . 120 GLY CA . 17361 1 124 . 1 1 120 120 GLY N N 15 107.897 0.055 . 1 . . . . 120 GLY N . 17361 1 125 . 1 1 121 121 THR C C 13 177.715 0.072 . 1 . . . . 121 THR C . 17361 1 126 . 1 1 121 121 THR CA C 13 65.643 0.077 . 1 . . . . 121 THR CA . 17361 1 127 . 1 1 121 121 THR CB C 13 68.843 0.124 . 1 . . . . 121 THR CB . 17361 1 128 . 1 1 121 121 THR N N 15 109.662 0.144 . 1 . . . . 121 THR N . 17361 1 129 . 1 1 122 122 GLY C C 13 174.036 0.057 . 1 . . . . 122 GLY C . 17361 1 130 . 1 1 122 122 GLY CA C 13 47.913 0.064 . 1 . . . . 122 GLY CA . 17361 1 131 . 1 1 122 122 GLY N N 15 111.526 0.144 . 1 . . . . 122 GLY N . 17361 1 132 . 1 1 129 129 LYS C C 13 175.602 0.021 . 1 . . . . 129 LYS C . 17361 1 133 . 1 1 129 129 LYS CA C 13 58.069 0.103 . 1 . . . . 129 LYS CA . 17361 1 134 . 1 1 129 129 LYS CB C 13 33.918 0.041 . 1 . . . . 129 LYS CB . 17361 1 135 . 1 1 129 129 LYS CG C 13 25.815 0.005 . 1 . . . . 129 LYS CG . 17361 1 136 . 1 1 129 129 LYS CD C 13 29.942 0.055 . 1 . . . . 129 LYS CD . 17361 1 137 . 1 1 129 129 LYS CE C 13 42.265 0.000 . 1 . . . . 129 LYS CE . 17361 1 138 . 1 1 129 129 LYS N N 15 125.478 0.052 . 1 . . . . 129 LYS N . 17361 1 139 . 1 1 130 130 VAL C C 13 176.690 0.086 . 1 . . . . 130 VAL C . 17361 1 140 . 1 1 130 130 VAL CA C 13 61.415 0.094 . 1 . . . . 130 VAL CA . 17361 1 141 . 1 1 130 130 VAL CB C 13 33.243 0.055 . 1 . . . . 130 VAL CB . 17361 1 142 . 1 1 130 130 VAL CG2 C 13 20.114 0.057 . 1 . . . . 130 VAL CG2 . 17361 1 143 . 1 1 130 130 VAL N N 15 119.376 0.152 . 1 . . . . 130 VAL N . 17361 1 144 . 1 1 131 131 TYR C C 13 176.891 0.093 . 1 . . . . 131 TYR C . 17361 1 145 . 1 1 131 131 TYR CA C 13 62.388 0.126 . 1 . . . . 131 TYR CA . 17361 1 146 . 1 1 131 131 TYR CB C 13 38.948 0.075 . 1 . . . . 131 TYR CB . 17361 1 147 . 1 1 131 131 TYR N N 15 129.029 0.091 . 1 . . . . 131 TYR N . 17361 1 148 . 1 1 132 132 SER C C 13 176.452 0.063 . 1 . . . . 132 SER C . 17361 1 149 . 1 1 132 132 SER CA C 13 62.385 0.105 . 1 . . . . 132 SER CA . 17361 1 150 . 1 1 132 132 SER CB C 13 62.956 0.044 . 1 . . . . 132 SER CB . 17361 1 151 . 1 1 132 132 SER N N 15 110.521 0.107 . 1 . . . . 132 SER N . 17361 1 152 . 1 1 156 156 PHE C C 13 177.923 0.079 . 1 . . . . 156 PHE C . 17361 1 153 . 1 1 156 156 PHE CA C 13 58.935 0.117 . 1 . . . . 156 PHE CA . 17361 1 154 . 1 1 156 156 PHE CB C 13 42.436 0.113 . 1 . . . . 156 PHE CB . 17361 1 155 . 1 1 156 156 PHE N N 15 107.817 0.131 . 1 . . . . 156 PHE N . 17361 1 156 . 1 1 157 157 THR C C 13 177.771 0.040 . 1 . . . . 157 THR C . 17361 1 157 . 1 1 157 157 THR CA C 13 65.718 0.053 . 1 . . . . 157 THR CA . 17361 1 158 . 1 1 157 157 THR CB C 13 69.733 0.084 . 1 . . . . 157 THR CB . 17361 1 159 . 1 1 157 157 THR CG2 C 13 24.699 0.095 . 1 . . . . 157 THR CG2 . 17361 1 160 . 1 1 157 157 THR N N 15 109.237 0.097 . 1 . . . . 157 THR N . 17361 1 161 . 1 1 158 158 SER CA C 13 58.264 0.134 . 1 . . . . 158 SER CA . 17361 1 162 . 1 1 158 158 SER CB C 13 64.270 0.027 . 1 . . . . 158 SER CB . 17361 1 163 . 1 1 158 158 SER N N 15 112.663 0.173 . 1 . . . . 158 SER N . 17361 1 164 . 1 1 167 167 VAL C C 13 176.838 0.055 . 1 . . . . 167 VAL C . 17361 1 165 . 1 1 167 167 VAL CA C 13 66.006 0.120 . 1 . . . . 167 VAL CA . 17361 1 166 . 1 1 167 167 VAL CB C 13 31.531 0.045 . 1 . . . . 167 VAL CB . 17361 1 167 . 1 1 167 167 VAL CG1 C 13 21.740 0.048 . 2 . . . . 167 VAL CG1 . 17361 1 168 . 1 1 167 167 VAL CG2 C 13 23.092 0.012 . 2 . . . . 167 VAL CG2 . 17361 1 169 . 1 1 167 167 VAL N N 15 120.878 0.058 . 1 . . . . 167 VAL N . 17361 1 170 . 1 1 168 168 ALA C C 13 180.199 0.057 . 1 . . . . 168 ALA C . 17361 1 171 . 1 1 168 168 ALA CA C 13 56.232 0.091 . 1 . . . . 168 ALA CA . 17361 1 172 . 1 1 168 168 ALA CB C 13 18.530 0.011 . 1 . . . . 168 ALA CB . 17361 1 173 . 1 1 168 168 ALA N N 15 121.818 0.127 . 1 . . . . 168 ALA N . 17361 1 174 . 1 1 169 169 SER C C 13 177.299 0.037 . 1 . . . . 169 SER C . 17361 1 175 . 1 1 169 169 SER CA C 13 61.545 0.094 . 1 . . . . 169 SER CA . 17361 1 176 . 1 1 169 169 SER CB C 13 62.724 0.054 . 1 . . . . 169 SER CB . 17361 1 177 . 1 1 169 169 SER N N 15 111.415 0.115 . 1 . . . . 169 SER N . 17361 1 178 . 1 1 170 170 THR C C 13 175.394 0.001 . 1 . . . . 170 THR C . 17361 1 179 . 1 1 170 170 THR CA C 13 66.897 0.025 . 1 . . . . 170 THR CA . 17361 1 180 . 1 1 170 170 THR CB C 13 67.974 0.065 . 1 . . . . 170 THR CB . 17361 1 181 . 1 1 170 170 THR CG2 C 13 22.070 0.000 . 1 . . . . 170 THR CG2 . 17361 1 182 . 1 1 170 170 THR N N 15 119.214 0.063 . 1 . . . . 170 THR N . 17361 1 183 . 1 1 189 189 TRP C C 13 177.596 0.034 . 1 . . . . 189 TRP C . 17361 1 184 . 1 1 189 189 TRP CA C 13 61.914 0.058 . 1 . . . . 189 TRP CA . 17361 1 185 . 1 1 189 189 TRP CB C 13 33.713 0.006 . 1 . . . . 189 TRP CB . 17361 1 186 . 1 1 189 189 TRP N N 15 118.020 0.003 . 1 . . . . 189 TRP N . 17361 1 187 . 1 1 190 190 LEU C C 13 178.686 0.034 . 1 . . . . 190 LEU C . 17361 1 188 . 1 1 190 190 LEU CA C 13 58.738 0.076 . 1 . . . . 190 LEU CA . 17361 1 189 . 1 1 190 190 LEU CB C 13 43.055 0.019 . 1 . . . . 190 LEU CB . 17361 1 190 . 1 1 190 190 LEU CG C 13 26.330 0.053 . 1 . . . . 190 LEU CG . 17361 1 191 . 1 1 190 190 LEU CD1 C 13 25.237 0.007 . 2 . . . . 190 LEU CD1 . 17361 1 192 . 1 1 190 190 LEU CD2 C 13 23.192 0.043 . 2 . . . . 190 LEU CD2 . 17361 1 193 . 1 1 190 190 LEU N N 15 113.408 0.055 . 1 . . . . 190 LEU N . 17361 1 194 . 1 1 191 191 ILE C C 13 176.113 0.070 . 1 . . . . 191 ILE C . 17361 1 195 . 1 1 191 191 ILE CA C 13 62.010 0.088 . 1 . . . . 191 ILE CA . 17361 1 196 . 1 1 191 191 ILE CB C 13 38.498 0.048 . 1 . . . . 191 ILE CB . 17361 1 197 . 1 1 191 191 ILE CG1 C 13 24.443 0.073 . 1 . . . . 191 ILE CG1 . 17361 1 198 . 1 1 191 191 ILE CG2 C 13 17.240 0.031 . 1 . . . . 191 ILE CG2 . 17361 1 199 . 1 1 191 191 ILE CD1 C 13 14.127 0.019 . 1 . . . . 191 ILE CD1 . 17361 1 200 . 1 1 191 191 ILE N N 15 107.020 0.102 . 1 . . . . 191 ILE N . 17361 1 201 . 1 1 192 192 GLY C C 13 175.083 0.048 . 1 . . . . 192 GLY C . 17361 1 202 . 1 1 192 192 GLY CA C 13 43.521 0.124 . 1 . . . . 192 GLY CA . 17361 1 203 . 1 1 192 192 GLY N N 15 113.426 0.136 . 1 . . . . 192 GLY N . 17361 1 204 . 1 1 193 193 SER CA C 13 61.829 0.045 . 1 . . . . 193 SER CA . 17361 1 205 . 1 1 193 193 SER CB C 13 63.802 0.010 . 1 . . . . 193 SER CB . 17361 1 206 . 1 1 193 193 SER N N 15 117.253 0.165 . 1 . . . . 193 SER N . 17361 1 207 . 1 1 194 194 GLU C C 13 174.676 0.051 . 1 . . . . 194 GLU C . 17361 1 208 . 1 1 194 194 GLU CA C 13 58.500 0.021 . 1 . . . . 194 GLU CA . 17361 1 209 . 1 1 195 195 GLY C C 13 174.381 0.053 . 1 . . . . 195 GLY C . 17361 1 210 . 1 1 195 195 GLY CA C 13 44.623 0.155 . 1 . . . . 195 GLY CA . 17361 1 211 . 1 1 195 195 GLY N N 15 106.547 0.102 . 1 . . . . 195 GLY N . 17361 1 212 . 1 1 196 196 ALA C C 13 178.703 0.056 . 1 . . . . 196 ALA C . 17361 1 213 . 1 1 196 196 ALA CA C 13 53.020 0.118 . 1 . . . . 196 ALA CA . 17361 1 214 . 1 1 196 196 ALA CB C 13 20.328 0.033 . 1 . . . . 196 ALA CB . 17361 1 215 . 1 1 196 196 ALA N N 15 129.655 0.102 . 1 . . . . 196 ALA N . 17361 1 216 . 1 1 197 197 GLY C C 13 175.249 0.073 . 1 . . . . 197 GLY C . 17361 1 217 . 1 1 197 197 GLY CA C 13 47.405 0.081 . 1 . . . . 197 GLY CA . 17361 1 218 . 1 1 197 197 GLY N N 15 106.594 0.200 . 1 . . . . 197 GLY N . 17361 1 219 . 1 1 198 198 ILE C C 13 176.332 0.055 . 1 . . . . 198 ILE C . 17361 1 220 . 1 1 198 198 ILE CA C 13 62.753 0.091 . 1 . . . . 198 ILE CA . 17361 1 221 . 1 1 198 198 ILE CB C 13 39.020 0.013 . 1 . . . . 198 ILE CB . 17361 1 222 . 1 1 198 198 ILE CG1 C 13 28.162 0.056 . 1 . . . . 198 ILE CG1 . 17361 1 223 . 1 1 198 198 ILE CG2 C 13 18.066 0.045 . 1 . . . . 198 ILE CG2 . 17361 1 224 . 1 1 198 198 ILE CD1 C 13 13.924 0.036 . 1 . . . . 198 ILE CD1 . 17361 1 225 . 1 1 198 198 ILE N N 15 118.780 0.106 . 1 . . . . 198 ILE N . 17361 1 226 . 1 1 203 203 ILE C C 13 177.634 0.095 . 1 . . . . 203 ILE C . 17361 1 227 . 1 1 203 203 ILE CA C 13 62.142 0.070 . 1 . . . . 203 ILE CA . 17361 1 228 . 1 1 203 203 ILE CB C 13 36.451 0.067 . 1 . . . . 203 ILE CB . 17361 1 229 . 1 1 203 203 ILE CG1 C 13 28.007 0.086 . 1 . . . . 203 ILE CG1 . 17361 1 230 . 1 1 203 203 ILE CG2 C 13 17.355 0.053 . 1 . . . . 203 ILE CG2 . 17361 1 231 . 1 1 203 203 ILE CD1 C 13 10.848 0.083 . 1 . . . . 203 ILE CD1 . 17361 1 232 . 1 1 203 203 ILE N N 15 119.356 0.083 . 1 . . . . 203 ILE N . 17361 1 233 . 1 1 204 204 GLU C C 13 176.915 0.031 . 1 . . . . 204 GLU C . 17361 1 234 . 1 1 204 204 GLU CA C 13 59.482 0.070 . 1 . . . . 204 GLU CA . 17361 1 235 . 1 1 204 204 GLU CB C 13 28.731 0.044 . 1 . . . . 204 GLU CB . 17361 1 236 . 1 1 204 204 GLU CG C 13 33.963 0.058 . 1 . . . . 204 GLU CG . 17361 1 237 . 1 1 204 204 GLU N N 15 121.594 0.063 . 1 . . . . 204 GLU N . 17361 1 238 . 1 1 205 205 THR C C 13 176.663 0.024 . 1 . . . . 205 THR C . 17361 1 239 . 1 1 205 205 THR CA C 13 67.619 0.090 . 1 . . . . 205 THR CA . 17361 1 240 . 1 1 205 205 THR CB C 13 67.935 0.001 . 1 . . . . 205 THR CB . 17361 1 241 . 1 1 205 205 THR CG2 C 13 22.615 0.016 . 1 . . . . 205 THR CG2 . 17361 1 242 . 1 1 205 205 THR N N 15 113.841 0.125 . 1 . . . . 205 THR N . 17361 1 243 . 1 1 206 206 LEU C C 13 177.148 0.073 . 1 . . . . 206 LEU C . 17361 1 244 . 1 1 206 206 LEU CA C 13 59.252 0.073 . 1 . . . . 206 LEU CA . 17361 1 245 . 1 1 206 206 LEU CB C 13 39.870 0.092 . 1 . . . . 206 LEU CB . 17361 1 246 . 1 1 206 206 LEU CG C 13 26.843 0.054 . 1 . . . . 206 LEU CG . 17361 1 247 . 1 1 206 206 LEU CD1 C 13 22.359 0.027 . 2 . . . . 206 LEU CD1 . 17361 1 248 . 1 1 206 206 LEU CD2 C 13 25.551 0.082 . 2 . . . . 206 LEU CD2 . 17361 1 249 . 1 1 206 206 LEU N N 15 126.908 0.109 . 1 . . . . 206 LEU N . 17361 1 250 . 1 1 207 207 LEU CA C 13 58.376 0.048 . 1 . . . . 207 LEU CA . 17361 1 251 . 1 1 207 207 LEU CB C 13 41.087 0.000 . 1 . . . . 207 LEU CB . 17361 1 252 . 1 1 207 207 LEU CG C 13 26.465 0.000 . 1 . . . . 207 LEU CG . 17361 1 253 . 1 1 207 207 LEU CD1 C 13 22.846 0.000 . 2 . . . . 207 LEU CD1 . 17361 1 254 . 1 1 207 207 LEU CD2 C 13 25.743 0.000 . 2 . . . . 207 LEU CD2 . 17361 1 255 . 1 1 207 207 LEU N N 15 118.121 0.026 . 1 . . . . 207 LEU N . 17361 1 stop_ save_