################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31300 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 RFDR . . . 31300 1 2 PDSD . . . 31300 1 3 PAR . . . 31300 1 4 ZF-TEDOR . . . 31300 1 5 PAIN . . . 31300 1 6 INEPT-TOBSY . . . 31300 1 7 HETCOR . . . 31300 1 8 NCACX . . . 31300 1 9 NCOCX . . . 31300 1 10 CONCA . . . 31300 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA C C 13 173.59 0.009 . 1 . . . . A 2 ALA C . 31300 1 2 . 1 . 1 2 2 ALA CA C 13 52.706 0.198 . 1 . . . . A 2 ALA CA . 31300 1 3 . 1 . 1 2 2 ALA CB C 13 19.108 0.094 . 1 . . . . A 2 ALA CB . 31300 1 4 . 1 . 1 5 5 ARG CA C 13 54.37 0 . 1 . . . . A 5 ARG CA . 31300 1 5 . 1 . 1 5 5 ARG CG C 13 27.46 0.071 . 1 . . . . A 5 ARG CG . 31300 1 6 . 1 . 1 5 5 ARG CD C 13 43.57 0.088 . 1 . . . . A 5 ARG CD . 31300 1 7 . 1 . 1 5 5 ARG CZ C 13 159.39 0.117 . 1 . . . . A 5 ARG CZ . 31300 1 8 . 1 . 1 5 5 ARG NE N 15 87.49 0.132 . 1 . . . . A 5 ARG NE . 31300 1 9 . 1 . 1 5 5 ARG NH1 N 15 74.624 0.025 . . . . . . A 5 ARG NH1 . 31300 1 10 . 1 . 1 8 8 SER CA C 13 58.872 0.089 . 1 . . . . A 8 SER CA . 31300 1 11 . 1 . 1 8 8 SER CB C 13 63.207 0.278 . 1 . . . . A 8 SER CB . 31300 1 12 . 1 . 1 8 8 SER N N 15 116.84 0 . 1 . . . . A 8 SER N . 31300 1 13 . 1 . 1 9 9 GLY CA C 13 44.209 0.109 . 1 . . . . A 9 GLY CA . 31300 1 14 . 1 . 1 10 10 TYR CB C 13 35.804 0.089 . 1 . . . . A 10 TYR CB . 31300 1 15 . 1 . 1 10 10 TYR CG C 13 128.18 0.098 . 1 . . . . A 10 TYR CG . 31300 1 16 . 1 . 1 10 10 TYR CD1 C 13 132.69 0.105 . . . . . . A 10 TYR CD1 . 31300 1 17 . 1 . 1 10 10 TYR CD2 C 13 132.95 0.176 . . . . . . A 10 TYR CD2 . 31300 1 18 . 1 . 1 10 10 TYR CE1 C 13 118 0.159 . . . . . . A 10 TYR CE1 . 31300 1 19 . 1 . 1 10 10 TYR CE2 C 13 119.22 0.108 . . . . . . A 10 TYR CE2 . 31300 1 20 . 1 . 1 10 10 TYR CZ C 13 156.75 0.137 . 1 . . . . A 10 TYR CZ . 31300 1 21 . 1 . 1 10 10 TYR N N 15 129.26 0 . 1 . . . . A 10 TYR N . 31300 1 22 . 1 . 1 11 11 GLU C C 13 174.08 0.029 . 1 . . . . A 11 GLU C . 31300 1 23 . 1 . 1 11 11 GLU CA C 13 54.363 0.105 . 1 . . . . A 11 GLU CA . 31300 1 24 . 1 . 1 11 11 GLU CB C 13 32.01 0.149 . 1 . . . . A 11 GLU CB . 31300 1 25 . 1 . 1 11 11 GLU CG C 13 35.742 0.124 . 1 . . . . A 11 GLU CG . 31300 1 26 . 1 . 1 11 11 GLU CD C 13 182.15 0.124 . 1 . . . . A 11 GLU CD . 31300 1 27 . 1 . 1 11 11 GLU N N 15 135.93 0.168 . 1 . . . . A 11 GLU N . 31300 1 28 . 1 . 1 12 12 VAL CA C 13 61.032 0.176 . 1 . . . . A 12 VAL CA . 31300 1 29 . 1 . 1 12 12 VAL CB C 13 34.818 0.328 . 1 . . . . A 12 VAL CB . 31300 1 30 . 1 . 1 12 12 VAL CG1 C 13 23.445 0.109 . . . . . . A 12 VAL CG1 . 31300 1 31 . 1 . 1 12 12 VAL CG2 C 13 21.023 0.12 . . . . . . A 12 VAL CG2 . 31300 1 32 . 1 . 1 13 13 HIS HE1 H 1 7.802 0 . 1 . . . . A 13 HIS HE1 . 31300 1 33 . 1 . 1 13 13 HIS C C 13 173.2 0.255 . 1 . . . . A 13 HIS C . 31300 1 34 . 1 . 1 13 13 HIS CA C 13 54.087 0.118 . 1 . . . . A 13 HIS CA . 31300 1 35 . 1 . 1 13 13 HIS CB C 13 30.603 0.218 . 1 . . . . A 13 HIS CB . 31300 1 36 . 1 . 1 13 13 HIS CG C 13 133.5 0.18 . 1 . . . . A 13 HIS CG . 31300 1 37 . 1 . 1 13 13 HIS CD2 C 13 117.39 0.132 . 1 . . . . A 13 HIS CD2 . 31300 1 38 . 1 . 1 13 13 HIS CE1 C 13 135.76 0.079 . 1 . . . . A 13 HIS CE1 . 31300 1 39 . 1 . 1 13 13 HIS N N 15 129.62 0.186 . 1 . . . . A 13 HIS N . 31300 1 40 . 1 . 1 13 13 HIS NE2 N 15 179.83 0.41 . 1 . . . . A 13 HIS NE2 . 31300 1 41 . 1 . 1 15 15 GLN CA C 13 54.217 0.093 . 1 . . . . A 15 GLN CA . 31300 1 42 . 1 . 1 15 15 GLN CB C 13 35.298 0.353 . 1 . . . . A 15 GLN CB . 31300 1 43 . 1 . 1 15 15 GLN CG C 13 36.027 0.122 . 1 . . . . A 15 GLN CG . 31300 1 44 . 1 . 1 15 15 GLN CD C 13 176.16 0.078 . 1 . . . . A 15 GLN CD . 31300 1 45 . 1 . 1 15 15 GLN NE2 N 15 114.25 0.13 . 1 . . . . A 15 GLN NE2 . 31300 1 46 . 1 . 1 16 16 LYS C C 13 173.46 0.077 . 1 . . . . A 16 LYS C . 31300 1 47 . 1 . 1 16 16 LYS CA C 13 57.371 0.145 . 1 . . . . A 16 LYS CA . 31300 1 48 . 1 . 1 16 16 LYS CB C 13 36.171 0.276 . 1 . . . . A 16 LYS CB . 31300 1 49 . 1 . 1 16 16 LYS CG C 13 25.658 0.328 . 1 . . . . A 16 LYS CG . 31300 1 50 . 1 . 1 16 16 LYS CD C 13 29.702 0.112 . 1 . . . . A 16 LYS CD . 31300 1 51 . 1 . 1 16 16 LYS CE C 13 42.152 0.132 . 1 . . . . A 16 LYS CE . 31300 1 52 . 1 . 1 16 16 LYS NZ N 15 36.461 0.015 . 1 . . . . A 16 LYS NZ . 31300 1 53 . 1 . 1 17 17 LEU C C 13 175.65 0.119 . 1 . . . . A 17 LEU C . 31300 1 54 . 1 . 1 17 17 LEU CA C 13 54.909 0.117 . 1 . . . . A 17 LEU CA . 31300 1 55 . 1 . 1 17 17 LEU CB C 13 46.313 0.092 . 1 . . . . A 17 LEU CB . 31300 1 56 . 1 . 1 17 17 LEU CG C 13 31.418 0.127 . 1 . . . . A 17 LEU CG . 31300 1 57 . 1 . 1 17 17 LEU CD1 C 13 27.633 0.095 . . . . . . A 17 LEU CD1 . 31300 1 58 . 1 . 1 17 17 LEU CD2 C 13 23.523 0.255 . . . . . . A 17 LEU CD2 . 31300 1 59 . 1 . 1 17 17 LEU N N 15 131.5 0.212 . 1 . . . . A 17 LEU N . 31300 1 60 . 1 . 1 18 18 VAL C C 13 172.32 0.157 . 1 . . . . A 18 VAL C . 31300 1 61 . 1 . 1 18 18 VAL CA C 13 60.165 0.144 . 1 . . . . A 18 VAL CA . 31300 1 62 . 1 . 1 18 18 VAL CB C 13 36.039 0.091 . 1 . . . . A 18 VAL CB . 31300 1 63 . 1 . 1 18 18 VAL CG1 C 13 21.451 0.321 . . . . . . A 18 VAL CG1 . 31300 1 64 . 1 . 1 18 18 VAL CG2 C 13 20.994 0.158 . . . . . . A 18 VAL CG2 . 31300 1 65 . 1 . 1 18 18 VAL N N 15 122.24 0.259 . 1 . . . . A 18 VAL N . 31300 1 66 . 1 . 1 19 19 PHE HD1 H 1 6.649 0 . . . . . . A 19 PHE HD1 . 31300 1 67 . 1 . 1 19 19 PHE C C 13 172.78 0.177 . 1 . . . . A 19 PHE C . 31300 1 68 . 1 . 1 19 19 PHE CA C 13 56.988 0.601 . 1 . . . . A 19 PHE CA . 31300 1 69 . 1 . 1 19 19 PHE CB C 13 43.156 0.234 . 1 . . . . A 19 PHE CB . 31300 1 70 . 1 . 1 19 19 PHE CG C 13 138 0.511 . 1 . . . . A 19 PHE CG . 31300 1 71 . 1 . 1 19 19 PHE CD1 C 13 132.03 0.008 . 3 . . . . A 19 PHE CD1 . 31300 1 72 . 1 . 1 19 19 PHE CD2 C 13 132.03 0.008 . 3 . . . . A 19 PHE CD2 . 31300 1 73 . 1 . 1 19 19 PHE CE1 C 13 131.27 0.118 . 3 . . . . A 19 PHE CE1 . 31300 1 74 . 1 . 1 19 19 PHE CE2 C 13 131.27 0.118 . 3 . . . . A 19 PHE CE2 . 31300 1 75 . 1 . 1 19 19 PHE CZ C 13 127.28 0.131 . 1 . . . . A 19 PHE CZ . 31300 1 76 . 1 . 1 19 19 PHE N N 15 133.22 0.205 . 1 . . . . A 19 PHE N . 31300 1 77 . 1 . 1 20 20 PHE HE1 H 1 6.541 0 . . . . . . A 20 PHE HE1 . 31300 1 78 . 1 . 1 20 20 PHE C C 13 172.45 0.076 . 1 . . . . A 20 PHE C . 31300 1 79 . 1 . 1 20 20 PHE CA C 13 56.257 0.234 . 1 . . . . A 20 PHE CA . 31300 1 80 . 1 . 1 20 20 PHE CB C 13 43.495 0.142 . 1 . . . . A 20 PHE CB . 31300 1 81 . 1 . 1 20 20 PHE N N 15 134.64 0.136 . 1 . . . . A 20 PHE N . 31300 1 82 . 1 . 1 22 22 GLU C C 13 175.8 0.076 . 1 . . . . A 22 GLU C . 31300 1 83 . 1 . 1 22 22 GLU CA C 13 54.542 0.084 . 1 . . . . A 22 GLU CA . 31300 1 84 . 1 . 1 22 22 GLU CB C 13 27.012 0.09 . 1 . . . . A 22 GLU CB . 31300 1 85 . 1 . 1 22 22 GLU CG C 13 36.556 0.352 . 1 . . . . A 22 GLU CG . 31300 1 86 . 1 . 1 22 22 GLU CD C 13 182.5 0.134 . 1 . . . . A 22 GLU CD . 31300 1 87 . 1 . 1 22 22 GLU N N 15 120.54 0.129 . 1 . . . . A 22 GLU N . 31300 1 88 . 1 . 1 23 23 ASP C C 13 177.22 0.116 . 1 . . . . A 23 ASP C . 31300 1 89 . 1 . 1 23 23 ASP CA C 13 55.526 0.115 . 1 . . . . A 23 ASP CA . 31300 1 90 . 1 . 1 23 23 ASP CB C 13 40.436 0.079 . 1 . . . . A 23 ASP CB . 31300 1 91 . 1 . 1 23 23 ASP CG C 13 179.5 0.094 . 1 . . . . A 23 ASP CG . 31300 1 92 . 1 . 1 23 23 ASP N N 15 126.92 0.184 . 1 . . . . A 23 ASP N . 31300 1 93 . 1 . 1 24 24 VAL C C 13 174.79 0.113 . 1 . . . . A 24 VAL C . 31300 1 94 . 1 . 1 24 24 VAL CA C 13 60.295 0.105 . 1 . . . . A 24 VAL CA . 31300 1 95 . 1 . 1 24 24 VAL CB C 13 32.725 0.106 . 1 . . . . A 24 VAL CB . 31300 1 96 . 1 . 1 24 24 VAL CG1 C 13 22.952 0.112 . . . . . . A 24 VAL CG1 . 31300 1 97 . 1 . 1 24 24 VAL CG2 C 13 20.026 0.062 . . . . . . A 24 VAL CG2 . 31300 1 98 . 1 . 1 24 24 VAL N N 15 129.95 0.162 . 1 . . . . A 24 VAL N . 31300 1 99 . 1 . 1 25 25 GLY C C 13 173.49 0.088 . 1 . . . . A 25 GLY C . 31300 1 100 . 1 . 1 25 25 GLY CA C 13 45.685 0.109 . 1 . . . . A 25 GLY CA . 31300 1 101 . 1 . 1 25 25 GLY N N 15 114.93 0.202 . 1 . . . . A 25 GLY N . 31300 1 102 . 1 . 1 26 26 SER C C 13 173.6 0.114 . 1 . . . . A 26 SER C . 31300 1 103 . 1 . 1 26 26 SER CA C 13 59.247 0.088 . 1 . . . . A 26 SER CA . 31300 1 104 . 1 . 1 26 26 SER CB C 13 60.763 0.124 . 1 . . . . A 26 SER CB . 31300 1 105 . 1 . 1 26 26 SER N N 15 110.53 0.195 . 1 . . . . A 26 SER N . 31300 1 106 . 1 . 1 27 27 ASN C C 13 174.44 0.12 . 1 . . . . A 27 ASN C . 31300 1 107 . 1 . 1 27 27 ASN CA C 13 53.642 0.144 . 1 . . . . A 27 ASN CA . 31300 1 108 . 1 . 1 27 27 ASN CB C 13 40.305 0.093 . 1 . . . . A 27 ASN CB . 31300 1 109 . 1 . 1 27 27 ASN CG C 13 176.13 0.097 . 1 . . . . A 27 ASN CG . 31300 1 110 . 1 . 1 27 27 ASN N N 15 120.7 0.165 . 1 . . . . A 27 ASN N . 31300 1 111 . 1 . 1 27 27 ASN ND2 N 15 114.4 0.207 . 1 . . . . A 27 ASN ND2 . 31300 1 112 . 1 . 1 28 28 LYS HG2 H 1 1.225 0 . . . . . . A 28 LYS HG2 . 31300 1 113 . 1 . 1 28 28 LYS HG3 H 1 0.911 0 . . . . . . A 28 LYS HG3 . 31300 1 114 . 1 . 1 28 28 LYS HE2 H 1 2.558 0.009 . . . . . . A 28 LYS HE2 . 31300 1 115 . 1 . 1 28 28 LYS C C 13 176.1 0.098 . 1 . . . . A 28 LYS C . 31300 1 116 . 1 . 1 28 28 LYS CA C 13 54.36 0.084 . 1 . . . . A 28 LYS CA . 31300 1 117 . 1 . 1 28 28 LYS CB C 13 35.384 0.139 . 1 . . . . A 28 LYS CB . 31300 1 118 . 1 . 1 28 28 LYS CG C 13 25.306 0.306 . 1 . . . . A 28 LYS CG . 31300 1 119 . 1 . 1 28 28 LYS CD C 13 29.783 0.17 . 1 . . . . A 28 LYS CD . 31300 1 120 . 1 . 1 28 28 LYS CE C 13 42.213 0.134 . 1 . . . . A 28 LYS CE . 31300 1 121 . 1 . 1 28 28 LYS N N 15 125.99 0.12 . 1 . . . . A 28 LYS N . 31300 1 122 . 1 . 1 28 28 LYS NZ N 15 35.405 0.078 . 1 . . . . A 28 LYS NZ . 31300 1 123 . 1 . 1 30 30 ALA C C 13 176.44 0.132 . 1 . . . . A 30 ALA C . 31300 1 124 . 1 . 1 30 30 ALA CA C 13 49.696 0.12 . 1 . . . . A 30 ALA CA . 31300 1 125 . 1 . 1 30 30 ALA CB C 13 22.469 0.123 . 1 . . . . A 30 ALA CB . 31300 1 126 . 1 . 1 30 30 ALA N N 15 127.78 0.202 . 1 . . . . A 30 ALA N . 31300 1 127 . 1 . 1 31 31 ILE C C 13 174.28 0.123 . 1 . . . . A 31 ILE C . 31300 1 128 . 1 . 1 31 31 ILE CA C 13 60.005 0.086 . 1 . . . . A 31 ILE CA . 31300 1 129 . 1 . 1 31 31 ILE CB C 13 40.368 0.077 . 1 . . . . A 31 ILE CB . 31300 1 130 . 1 . 1 31 31 ILE CG1 C 13 27.081 0.08 . 1 . . . . A 31 ILE CG1 . 31300 1 131 . 1 . 1 31 31 ILE CG2 C 13 17.613 0.092 . 1 . . . . A 31 ILE CG2 . 31300 1 132 . 1 . 1 31 31 ILE CD1 C 13 13.409 0.064 . 1 . . . . A 31 ILE CD1 . 31300 1 133 . 1 . 1 31 31 ILE N N 15 123.75 0.106 . 1 . . . . A 31 ILE N . 31300 1 134 . 1 . 1 32 32 ILE C C 13 174.98 0.089 . 1 . . . . A 32 ILE C . 31300 1 135 . 1 . 1 32 32 ILE CA C 13 58.341 0.082 . 1 . . . . A 32 ILE CA . 31300 1 136 . 1 . 1 32 32 ILE CB C 13 41.68 0.12 . 1 . . . . A 32 ILE CB . 31300 1 137 . 1 . 1 32 32 ILE CG1 C 13 27.249 0.081 . 1 . . . . A 32 ILE CG1 . 31300 1 138 . 1 . 1 32 32 ILE CG2 C 13 17.387 0.08 . 1 . . . . A 32 ILE CG2 . 31300 1 139 . 1 . 1 32 32 ILE CD1 C 13 14.695 0.419 . 1 . . . . A 32 ILE CD1 . 31300 1 140 . 1 . 1 32 32 ILE N N 15 130.46 0.149 . 1 . . . . A 32 ILE N . 31300 1 141 . 1 . 1 33 33 GLY C C 13 173.1 0.166 . 1 . . . . A 33 GLY C . 31300 1 142 . 1 . 1 33 33 GLY CA C 13 48.418 0.12 . 1 . . . . A 33 GLY CA . 31300 1 143 . 1 . 1 33 33 GLY N N 15 119.05 0.143 . 1 . . . . A 33 GLY N . 31300 1 144 . 1 . 1 34 34 LEU C C 13 174.66 0.128 . 1 . . . . A 34 LEU C . 31300 1 145 . 1 . 1 34 34 LEU CA C 13 54.577 0.111 . 1 . . . . A 34 LEU CA . 31300 1 146 . 1 . 1 34 34 LEU CB C 13 42.377 0.129 . 1 . . . . A 34 LEU CB . 31300 1 147 . 1 . 1 34 34 LEU CG C 13 28.658 0.107 . 1 . . . . A 34 LEU CG . 31300 1 148 . 1 . 1 34 34 LEU CD1 C 13 27.996 0.103 . . . . . . A 34 LEU CD1 . 31300 1 149 . 1 . 1 34 34 LEU CD2 C 13 23.3 0.091 . . . . . . A 34 LEU CD2 . 31300 1 150 . 1 . 1 34 34 LEU N N 15 126.06 0.101 . 1 . . . . A 34 LEU N . 31300 1 151 . 1 . 1 35 35 MET C C 13 173.4 0.097 . 1 . . . . A 35 MET C . 31300 1 152 . 1 . 1 35 35 MET CA C 13 54.078 0.097 . 1 . . . . A 35 MET CA . 31300 1 153 . 1 . 1 35 35 MET CB C 13 38.555 0.12 . 1 . . . . A 35 MET CB . 31300 1 154 . 1 . 1 35 35 MET CG C 13 30.579 0.09 . 1 . . . . A 35 MET CG . 31300 1 155 . 1 . 1 35 35 MET CE C 13 17.325 0.059 . 1 . . . . A 35 MET CE . 31300 1 156 . 1 . 1 35 35 MET N N 15 128.32 0.129 . 1 . . . . A 35 MET N . 31300 1 157 . 1 . 1 36 36 VAL C C 13 175.85 0.14 . 1 . . . . A 36 VAL C . 31300 1 158 . 1 . 1 36 36 VAL CA C 13 59.164 0.07 . 1 . . . . A 36 VAL CA . 31300 1 159 . 1 . 1 36 36 VAL CB C 13 34.947 0.1 . 1 . . . . A 36 VAL CB . 31300 1 160 . 1 . 1 36 36 VAL CG1 C 13 19.459 0.076 . . . . . . A 36 VAL CG1 . 31300 1 161 . 1 . 1 36 36 VAL N N 15 125.09 0.111 . 1 . . . . A 36 VAL N . 31300 1 162 . 1 . 1 37 37 GLY C C 13 173.34 0.213 . 1 . . . . A 37 GLY C . 31300 1 163 . 1 . 1 37 37 GLY CA C 13 48.693 0.124 . 1 . . . . A 37 GLY CA . 31300 1 164 . 1 . 1 37 37 GLY N N 15 117.89 0.173 . 1 . . . . A 37 GLY N . 31300 1 165 . 1 . 1 38 38 GLY C C 13 172.17 0.127 . 1 . . . . A 38 GLY C . 31300 1 166 . 1 . 1 38 38 GLY CA C 13 47.927 0.148 . 1 . . . . A 38 GLY CA . 31300 1 167 . 1 . 1 38 38 GLY N N 15 121.15 0.176 . 1 . . . . A 38 GLY N . 31300 1 168 . 1 . 1 39 39 VAL C C 13 173.42 0.102 . 1 . . . . A 39 VAL C . 31300 1 169 . 1 . 1 39 39 VAL CA C 13 61.057 0.102 . 1 . . . . A 39 VAL CA . 31300 1 170 . 1 . 1 39 39 VAL CB C 13 34.285 0.083 . 1 . . . . A 39 VAL CB . 31300 1 171 . 1 . 1 39 39 VAL CG1 C 13 20.576 0.087 . . . . . . A 39 VAL CG1 . 31300 1 172 . 1 . 1 39 39 VAL CG2 C 13 19.368 0.111 . . . . . . A 39 VAL CG2 . 31300 1 173 . 1 . 1 39 39 VAL N N 15 128.27 0.144 . 1 . . . . A 39 VAL N . 31300 1 174 . 1 . 1 40 40 VAL C C 13 180.27 0.107 . 1 . . . . A 40 VAL C . 31300 1 175 . 1 . 1 40 40 VAL CA C 13 61.293 0.115 . 1 . . . . A 40 VAL CA . 31300 1 176 . 1 . 1 40 40 VAL CB C 13 34.367 0.118 . 1 . . . . A 40 VAL CB . 31300 1 177 . 1 . 1 40 40 VAL CG1 C 13 23.422 0.085 . . . . . . A 40 VAL CG1 . 31300 1 178 . 1 . 1 40 40 VAL N N 15 135.44 0.281 . 1 . . . . A 40 VAL N . 31300 1 stop_ save_