################################### # 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 31085 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.25 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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-13C' . . . 31085 1 2 '2D 13C-detected CORD' . . . 31085 1 3 '2D 1H-15N CP HETCOR' . . . 31085 1 4 '2D 15N-13C PSD' . . . 31085 1 5 '3D HNCA' . . . 31085 1 6 '3D HN(CO)CA' . . . 31085 1 7 '1D 19F 13C-detected REDOR' . . . 31085 1 8 '2D 19F 1H-15N 1H-detected CP HETCOR' . . . 31085 1 9 '3D NCa-filtered 13C-detected DIPSHIFT' . . . 31085 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 1 1 GLU C C 13 170.80 0.25 . 1 . . . . A 8 GLU C . 31085 1 2 . 1 . 1 1 1 GLU CA C 13 53.80 0.25 . 1 . . . . A 8 GLU CA . 31085 1 3 . 1 . 1 1 1 GLU CB C 13 27.06 0.25 . 1 . . . . A 8 GLU CB . 31085 1 4 . 1 . 1 1 1 GLU CG C 13 33.60 0.25 . 1 . . . . A 8 GLU CG . 31085 1 5 . 1 . 1 1 1 GLU CD C 13 178.00 0.25 . 1 . . . . A 8 GLU CD . 31085 1 6 . 1 . 1 2 2 THR H H 1 8.86 0.03 . 1 . . . . A 9 THR H . 31085 1 7 . 1 . 1 2 2 THR CA C 13 61.50 0.25 . 1 . . . . A 9 THR CA . 31085 1 8 . 1 . 1 2 2 THR CB C 13 67.20 0.25 . 1 . . . . A 9 THR CB . 31085 1 9 . 1 . 1 2 2 THR N N 15 117.70 0.10 . 1 . . . . A 9 THR N . 31085 1 10 . 1 . 1 3 3 GLY H H 1 8.82 0.03 . 1 . . . . A 10 GLY H . 31085 1 11 . 1 . 1 3 3 GLY C C 13 172.50 0.25 . 1 . . . . A 10 GLY C . 31085 1 12 . 1 . 1 3 3 GLY CA C 13 44.80 0.25 . 1 . . . . A 10 GLY CA . 31085 1 13 . 1 . 1 3 3 GLY N N 15 111.40 0.10 . 1 . . . . A 10 GLY N . 31085 1 14 . 1 . 1 4 4 THR H H 1 8.19 0.03 . 1 . . . . A 11 THR H . 31085 1 15 . 1 . 1 4 4 THR C C 13 173.40 0.25 . 1 . . . . A 11 THR C . 31085 1 16 . 1 . 1 4 4 THR CA C 13 62.50 0.25 . 1 . . . . A 11 THR CA . 31085 1 17 . 1 . 1 4 4 THR CB C 13 66.50 0.25 . 1 . . . . A 11 THR CB . 31085 1 18 . 1 . 1 4 4 THR CG2 C 13 20.40 0.25 . 1 . . . . A 11 THR CG2 . 31085 1 19 . 1 . 1 4 4 THR N N 15 113.90 0.10 . 1 . . . . A 11 THR N . 31085 1 20 . 1 . 1 5 5 LEU CA C 13 55.70 0.25 . 1 . . . . A 12 LEU CA . 31085 1 21 . 1 . 1 5 5 LEU CB C 13 39.50 0.25 . 1 . . . . A 12 LEU CB . 31085 1 22 . 1 . 1 5 5 LEU CG C 13 25.00 0.25 . 1 . . . . A 12 LEU CG . 31085 1 23 . 1 . 1 5 5 LEU N N 15 121.90 0.10 . 1 . . . . A 12 LEU N . 31085 1 24 . 1 . 1 6 6 ILE H H 1 8.14 0.03 . 1 . . . . A 13 ILE H . 31085 1 25 . 1 . 1 6 6 ILE C C 13 175.10 0.25 . 1 . . . . A 13 ILE C . 31085 1 26 . 1 . 1 6 6 ILE CA C 13 62.10 0.25 . 1 . . . . A 13 ILE CA . 31085 1 27 . 1 . 1 6 6 ILE CB C 13 35.30 0.25 . 1 . . . . A 13 ILE CB . 31085 1 28 . 1 . 1 6 6 ILE CG1 C 13 27.10 0.25 . 1 . . . . A 13 ILE CG1 . 31085 1 29 . 1 . 1 6 6 ILE CG2 C 13 15.90 0.25 . 1 . . . . A 13 ILE CG2 . 31085 1 30 . 1 . 1 6 6 ILE CD1 C 13 10.90 0.25 . 1 . . . . A 13 ILE CD1 . 31085 1 31 . 1 . 1 6 6 ILE N N 15 120.40 0.10 . 1 . . . . A 13 ILE N . 31085 1 32 . 1 . 1 7 7 VAL H H 1 8.11 0.03 . 1 . . . . A 14 VAL H . 31085 1 33 . 1 . 1 7 7 VAL C C 13 174.70 0.25 . 1 . . . . A 14 VAL C . 31085 1 34 . 1 . 1 7 7 VAL CA C 13 64.90 0.25 . 1 . . . . A 14 VAL CA . 31085 1 35 . 1 . 1 7 7 VAL CB C 13 29.20 0.25 . 1 . . . . A 14 VAL CB . 31085 1 36 . 1 . 1 7 7 VAL CG1 C 13 21.30 0.25 . 1 . . . . A 14 VAL CG1 . 31085 1 37 . 1 . 1 7 7 VAL CG2 C 13 18.80 0.25 . 1 . . . . A 14 VAL CG2 . 31085 1 38 . 1 . 1 7 7 VAL N N 15 117.10 0.10 . 1 . . . . A 14 VAL N . 31085 1 39 . 1 . 1 8 8 ASN H H 1 8.11 0.03 . 1 . . . . A 15 ASN H . 31085 1 40 . 1 . 1 8 8 ASN HD21 H 1 7.50 0.03 . 1 . . . . A 15 ASN HD21 . 31085 1 41 . 1 . 1 8 8 ASN HD22 H 1 6.70 0.03 . 1 . . . . A 15 ASN HD22 . 31085 1 42 . 1 . 1 8 8 ASN C C 13 175.40 0.25 . 1 . . . . A 15 ASN C . 31085 1 43 . 1 . 1 8 8 ASN CA C 13 53.90 0.25 . 1 . . . . A 15 ASN CA . 31085 1 44 . 1 . 1 8 8 ASN CB C 13 35.40 0.25 . 1 . . . . A 15 ASN CB . 31085 1 45 . 1 . 1 8 8 ASN CG C 13 172.20 0.25 . 1 . . . . A 15 ASN CG . 31085 1 46 . 1 . 1 8 8 ASN N N 15 117.10 0.10 . 1 . . . . A 15 ASN N . 31085 1 47 . 1 . 1 8 8 ASN ND2 N 15 107.70 0.10 . 1 . . . . A 15 ASN ND2 . 31085 1 48 . 1 . 1 9 9 SER H H 1 8.25 0.03 . 1 . . . . A 16 SER H . 31085 1 49 . 1 . 1 9 9 SER C C 13 173.20 0.25 . 1 . . . . A 16 SER C . 31085 1 50 . 1 . 1 9 9 SER CA C 13 60.90 0.25 . 1 . . . . A 16 SER CA . 31085 1 51 . 1 . 1 9 9 SER CB C 13 61.00 0.25 . 1 . . . . A 16 SER CB . 31085 1 52 . 1 . 1 9 9 SER N N 15 116.40 0.10 . 1 . . . . A 16 SER N . 31085 1 53 . 1 . 1 10 10 VAL H H 1 8.13 0.03 . 1 . . . . A 17 VAL H . 31085 1 54 . 1 . 1 10 10 VAL C C 13 175.40 0.25 . 1 . . . . A 17 VAL C . 31085 1 55 . 1 . 1 10 10 VAL CA C 13 64.70 0.25 . 1 . . . . A 17 VAL CA . 31085 1 56 . 1 . 1 10 10 VAL CB C 13 29.20 0.25 . 1 . . . . A 17 VAL CB . 31085 1 57 . 1 . 1 10 10 VAL CG1 C 13 21.30 0.25 . 1 . . . . A 17 VAL CG1 . 31085 1 58 . 1 . 1 10 10 VAL CG2 C 13 19.40 0.25 . 1 . . . . A 17 VAL CG2 . 31085 1 59 . 1 . 1 10 10 VAL N N 15 121.00 0.10 . 1 . . . . A 17 VAL N . 31085 1 60 . 1 . 1 11 11 LEU H H 1 8.51 0.03 . 1 . . . . A 18 LEU H . 31085 1 61 . 1 . 1 11 11 LEU C C 13 176.70 0.25 . 1 . . . . A 18 LEU C . 31085 1 62 . 1 . 1 11 11 LEU CA C 13 55.60 0.25 . 1 . . . . A 18 LEU CA . 31085 1 63 . 1 . 1 11 11 LEU CB C 13 39.00 0.25 . 1 . . . . A 18 LEU CB . 31085 1 64 . 1 . 1 11 11 LEU CG C 13 24.70 0.25 . 1 . . . . A 18 LEU CG . 31085 1 65 . 1 . 1 11 11 LEU CD1 C 13 23.40 0.25 . 1 . . . . A 18 LEU CD1 . 31085 1 66 . 1 . 1 11 11 LEU CD2 C 13 18.30 0.25 . 1 . . . . A 18 LEU CD2 . 31085 1 67 . 1 . 1 11 11 LEU N N 15 118.70 0.10 . 1 . . . . A 18 LEU N . 31085 1 68 . 1 . 1 12 12 LEU H H 1 8.48 0.03 . 1 . . . . A 19 LEU H . 31085 1 69 . 1 . 1 12 12 LEU C C 13 176.00 0.25 . 1 . . . . A 19 LEU C . 31085 1 70 . 1 . 1 12 12 LEU CA C 13 56.10 0.25 . 1 . . . . A 19 LEU CA . 31085 1 71 . 1 . 1 12 12 LEU CB C 13 39.90 0.25 . 1 . . . . A 19 LEU CB . 31085 1 72 . 1 . 1 12 12 LEU CG C 13 24.90 0.25 . 1 . . . . A 19 LEU CG . 31085 1 73 . 1 . 1 12 12 LEU N N 15 120.20 0.10 . 1 . . . . A 19 LEU N . 31085 1 74 . 1 . 1 13 13 PHE H H 1 8.26 0.03 . 1 . . . . A 20 PHE H . 31085 1 75 . 1 . 1 13 13 PHE C C 13 174.50 0.25 . 1 . . . . A 20 PHE C . 31085 1 76 . 1 . 1 13 13 PHE CA C 13 59.50 0.25 . 1 . . . . A 20 PHE CA . 31085 1 77 . 1 . 1 13 13 PHE CB C 13 37.40 0.25 . 1 . . . . A 20 PHE CB . 31085 1 78 . 1 . 1 13 13 PHE CG C 13 136.80 0.25 . 1 . . . . A 20 PHE CG . 31085 1 79 . 1 . 1 13 13 PHE CD1 C 13 129.30 0.25 . 1 . . . . A 20 PHE CD1 . 31085 1 80 . 1 . 1 13 13 PHE CE1 C 13 128.30 0.25 . 1 . . . . A 20 PHE CE1 . 31085 1 81 . 1 . 1 13 13 PHE N N 15 118.70 0.10 . 1 . . . . A 20 PHE N . 31085 1 82 . 1 . 1 14 14 LEU H H 1 9.07 0.03 . 1 . . . . A 21 LEU H . 31085 1 83 . 1 . 1 14 14 LEU C C 13 176.60 0.25 . 1 . . . . A 21 LEU C . 31085 1 84 . 1 . 1 14 14 LEU CA C 13 55.50 0.25 . 1 . . . . A 21 LEU CA . 31085 1 85 . 1 . 1 14 14 LEU CB C 13 40.80 0.25 . 1 . . . . A 21 LEU CB . 31085 1 86 . 1 . 1 14 14 LEU CG C 13 24.90 0.25 . 1 . . . . A 21 LEU CG . 31085 1 87 . 1 . 1 14 14 LEU CD1 C 13 23.60 0.25 . 1 . . . . A 21 LEU CD1 . 31085 1 88 . 1 . 1 14 14 LEU CD2 C 13 20.20 0.25 . 1 . . . . A 21 LEU CD2 . 31085 1 89 . 1 . 1 14 14 LEU N N 15 118.60 0.10 . 1 . . . . A 21 LEU N . 31085 1 90 . 1 . 1 15 15 ALA H H 1 9.33 0.03 . 1 . . . . A 22 ALA H . 31085 1 91 . 1 . 1 15 15 ALA C C 13 176.50 0.25 . 1 . . . . A 22 ALA C . 31085 1 92 . 1 . 1 15 15 ALA CA C 13 53.90 0.25 . 1 . . . . A 22 ALA CA . 31085 1 93 . 1 . 1 15 15 ALA CB C 13 16.50 0.25 . 1 . . . . A 22 ALA CB . 31085 1 94 . 1 . 1 15 15 ALA N N 15 123.40 0.10 . 1 . . . . A 22 ALA N . 31085 1 95 . 1 . 1 16 16 PHE H H 1 8.33 0.03 . 1 . . . . A 23 PHE H . 31085 1 96 . 1 . 1 16 16 PHE C C 13 174.30 0.25 . 1 . . . . A 23 PHE C . 31085 1 97 . 1 . 1 16 16 PHE CA C 13 59.40 0.25 . 1 . . . . A 23 PHE CA . 31085 1 98 . 1 . 1 16 16 PHE CB C 13 37.30 0.25 . 1 . . . . A 23 PHE CB . 31085 1 99 . 1 . 1 16 16 PHE CG C 13 137.20 0.25 . 1 . . . . A 23 PHE CG . 31085 1 100 . 1 . 1 16 16 PHE CD1 C 13 129.30 0.25 . 1 . . . . A 23 PHE CD1 . 31085 1 101 . 1 . 1 16 16 PHE CE1 C 13 127.30 0.25 . 1 . . . . A 23 PHE CE1 . 31085 1 102 . 1 . 1 16 16 PHE N N 15 118.80 0.10 . 1 . . . . A 23 PHE N . 31085 1 103 . 1 . 1 17 17 VAL H H 1 8.56 0.03 . 1 . . . . A 24 VAL H . 31085 1 104 . 1 . 1 17 17 VAL C C 13 175.70 0.25 . 1 . . . . A 24 VAL C . 31085 1 105 . 1 . 1 17 17 VAL CA C 13 65.40 0.25 . 1 . . . . A 24 VAL CA . 31085 1 106 . 1 . 1 17 17 VAL CB C 13 29.70 0.25 . 1 . . . . A 24 VAL CB . 31085 1 107 . 1 . 1 17 17 VAL CG1 C 13 21.00 0.25 . 1 . . . . A 24 VAL CG1 . 31085 1 108 . 1 . 1 17 17 VAL CG2 C 13 18.80 0.25 . 1 . . . . A 24 VAL CG2 . 31085 1 109 . 1 . 1 17 17 VAL N N 15 118.00 0.10 . 1 . . . . A 24 VAL N . 31085 1 110 . 1 . 1 18 18 VAL H H 1 9.36 0.03 . 1 . . . . A 25 VAL H . 31085 1 111 . 1 . 1 18 18 VAL C C 13 174.80 0.25 . 1 . . . . A 25 VAL C . 31085 1 112 . 1 . 1 18 18 VAL CA C 13 65.60 0.25 . 1 . . . . A 25 VAL CA . 31085 1 113 . 1 . 1 18 18 VAL CB C 13 29.10 0.25 . 1 . . . . A 25 VAL CB . 31085 1 114 . 1 . 1 18 18 VAL CG1 C 13 21.10 0.25 . 1 . . . . A 25 VAL CG1 . 31085 1 115 . 1 . 1 18 18 VAL CG2 C 13 19.50 0.25 . 1 . . . . A 25 VAL CG2 . 31085 1 116 . 1 . 1 18 18 VAL N N 15 118.80 0.10 . 1 . . . . A 25 VAL N . 31085 1 117 . 1 . 1 19 19 PHE H H 1 8.79 0.03 . 1 . . . . A 26 PHE H . 31085 1 118 . 1 . 1 19 19 PHE C C 13 175.70 0.25 . 1 . . . . A 26 PHE C . 31085 1 119 . 1 . 1 19 19 PHE CA C 13 60.20 0.25 . 1 . . . . A 26 PHE CA . 31085 1 120 . 1 . 1 19 19 PHE CB C 13 37.00 0.25 . 1 . . . . A 26 PHE CB . 31085 1 121 . 1 . 1 19 19 PHE CG C 13 137.00 0.25 . 1 . . . . A 26 PHE CG . 31085 1 122 . 1 . 1 19 19 PHE CD1 C 13 129.30 0.25 . 1 . . . . A 26 PHE CD1 . 31085 1 123 . 1 . 1 19 19 PHE CE1 C 13 128.10 0.25 . 1 . . . . A 26 PHE CE1 . 31085 1 124 . 1 . 1 19 19 PHE N N 15 119.60 0.10 . 1 . . . . A 26 PHE N . 31085 1 125 . 1 . 1 20 20 LEU H H 1 8.17 0.03 . 1 . . . . A 27 LEU H . 31085 1 126 . 1 . 1 20 20 LEU C C 13 175.90 0.25 . 1 . . . . A 27 LEU C . 31085 1 127 . 1 . 1 20 20 LEU CA C 13 55.60 0.25 . 1 . . . . A 27 LEU CA . 31085 1 128 . 1 . 1 20 20 LEU CB C 13 39.80 0.25 . 1 . . . . A 27 LEU CB . 31085 1 129 . 1 . 1 20 20 LEU CG C 13 25.50 0.25 . 1 . . . . A 27 LEU CG . 31085 1 130 . 1 . 1 20 20 LEU CD1 C 13 23.80 0.25 . 1 . . . . A 27 LEU CD1 . 31085 1 131 . 1 . 1 20 20 LEU CD2 C 13 18.60 0.25 . 1 . . . . A 27 LEU CD2 . 31085 1 132 . 1 . 1 20 20 LEU N N 15 120.60 0.10 . 1 . . . . A 27 LEU N . 31085 1 133 . 1 . 1 21 21 LEU H H 1 8.41 0.03 . 1 . . . . A 28 LEU H . 31085 1 134 . 1 . 1 21 21 LEU C C 13 176.60 0.25 . 1 . . . . A 28 LEU C . 31085 1 135 . 1 . 1 21 21 LEU CA C 13 55.50 0.25 . 1 . . . . A 28 LEU CA . 31085 1 136 . 1 . 1 21 21 LEU CB C 13 39.10 0.25 . 1 . . . . A 28 LEU CB . 31085 1 137 . 1 . 1 21 21 LEU CG C 13 23.50 0.25 . 1 . . . . A 28 LEU CG . 31085 1 138 . 1 . 1 21 21 LEU CD1 C 13 23.40 0.25 . 1 . . . . A 28 LEU CD1 . 31085 1 139 . 1 . 1 21 21 LEU CD2 C 13 18.80 0.25 . 1 . . . . A 28 LEU CD2 . 31085 1 140 . 1 . 1 21 21 LEU N N 15 118.70 0.10 . 1 . . . . A 28 LEU N . 31085 1 141 . 1 . 1 22 22 VAL H H 1 8.95 0.03 . 1 . . . . A 29 VAL H . 31085 1 142 . 1 . 1 22 22 VAL C C 13 175.00 0.25 . 1 . . . . A 29 VAL C . 31085 1 143 . 1 . 1 22 22 VAL CA C 13 64.30 0.25 . 1 . . . . A 29 VAL CA . 31085 1 144 . 1 . 1 22 22 VAL CB C 13 28.70 0.25 . 1 . . . . A 29 VAL CB . 31085 1 145 . 1 . 1 22 22 VAL CG1 C 13 22.20 0.25 . 1 . . . . A 29 VAL CG1 . 31085 1 146 . 1 . 1 22 22 VAL CG2 C 13 19.40 0.25 . 1 . . . . A 29 VAL CG2 . 31085 1 147 . 1 . 1 22 22 VAL N N 15 119.50 0.10 . 1 . . . . A 29 VAL N . 31085 1 148 . 1 . 1 23 23 THR H H 1 7.71 0.03 . 1 . . . . A 30 THR H . 31085 1 149 . 1 . 1 23 23 THR C C 13 173.50 0.25 . 1 . . . . A 30 THR C . 31085 1 150 . 1 . 1 23 23 THR CA C 13 66.90 0.25 . 1 . . . . A 30 THR CA . 31085 1 151 . 1 . 1 23 23 THR CB C 13 64.40 0.25 . 1 . . . . A 30 THR CB . 31085 1 152 . 1 . 1 23 23 THR CG2 C 13 18.20 0.25 . 1 . . . . A 30 THR CG2 . 31085 1 153 . 1 . 1 23 23 THR N N 15 119.10 0.10 . 1 . . . . A 30 THR N . 31085 1 154 . 1 . 1 24 24 LEU H H 1 7.91 0.03 . 1 . . . . A 31 LEU H . 31085 1 155 . 1 . 1 24 24 LEU C C 13 176.10 0.25 . 1 . . . . A 31 LEU C . 31085 1 156 . 1 . 1 24 24 LEU CA C 13 56.50 0.25 . 1 . . . . A 31 LEU CA . 31085 1 157 . 1 . 1 24 24 LEU CB C 13 39.50 0.25 . 1 . . . . A 31 LEU CB . 31085 1 158 . 1 . 1 24 24 LEU CG C 13 25.30 0.25 . 1 . . . . A 31 LEU CG . 31085 1 159 . 1 . 1 24 24 LEU CD1 C 13 25.20 0.25 . 1 . . . . A 31 LEU CD1 . 31085 1 160 . 1 . 1 24 24 LEU CD2 C 13 22.30 0.25 . 1 . . . . A 31 LEU CD2 . 31085 1 161 . 1 . 1 24 24 LEU N N 15 121.60 0.10 . 1 . . . . A 31 LEU N . 31085 1 162 . 1 . 1 25 25 ALA H H 1 8.40 0.03 . 1 . . . . A 32 ALA H . 31085 1 163 . 1 . 1 25 25 ALA C C 13 177.00 0.25 . 1 . . . . A 32 ALA C . 31085 1 164 . 1 . 1 25 25 ALA CA C 13 53.50 0.25 . 1 . . . . A 32 ALA CA . 31085 1 165 . 1 . 1 25 25 ALA CB C 13 16.50 0.25 . 1 . . . . A 32 ALA CB . 31085 1 166 . 1 . 1 25 25 ALA N N 15 123.60 0.10 . 1 . . . . A 32 ALA N . 31085 1 167 . 1 . 1 26 26 ILE H H 1 8.59 0.03 . 1 . . . . A 33 ILE H . 31085 1 168 . 1 . 1 26 26 ILE C C 13 175.00 0.25 . 1 . . . . A 33 ILE C . 31085 1 169 . 1 . 1 26 26 ILE CA C 13 63.60 0.25 . 1 . . . . A 33 ILE CA . 31085 1 170 . 1 . 1 26 26 ILE CB C 13 36.10 0.25 . 1 . . . . A 33 ILE CB . 31085 1 171 . 1 . 1 26 26 ILE CG1 C 13 28.90 0.25 . 1 . . . . A 33 ILE CG1 . 31085 1 172 . 1 . 1 26 26 ILE CG2 C 13 17.10 0.25 . 1 . . . . A 33 ILE CG2 . 31085 1 173 . 1 . 1 26 26 ILE CD1 C 13 12.20 0.25 . 1 . . . . A 33 ILE CD1 . 31085 1 174 . 1 . 1 26 26 ILE N N 15 117.50 0.10 . 1 . . . . A 33 ILE N . 31085 1 175 . 1 . 1 27 27 LEU H H 1 8.41 0.03 . 1 . . . . A 34 LEU H . 31085 1 176 . 1 . 1 27 27 LEU C C 13 176.50 0.25 . 1 . . . . A 34 LEU C . 31085 1 177 . 1 . 1 27 27 LEU CA C 13 55.90 0.25 . 1 . . . . A 34 LEU CA . 31085 1 178 . 1 . 1 27 27 LEU CB C 13 38.80 0.25 . 1 . . . . A 34 LEU CB . 31085 1 179 . 1 . 1 27 27 LEU CG C 13 25.60 0.25 . 1 . . . . A 34 LEU CG . 31085 1 180 . 1 . 1 27 27 LEU CD1 C 13 25.50 0.25 . 1 . . . . A 34 LEU CD1 . 31085 1 181 . 1 . 1 27 27 LEU CD2 C 13 21.50 0.25 . 1 . . . . A 34 LEU CD2 . 31085 1 182 . 1 . 1 27 27 LEU N N 15 116.70 0.10 . 1 . . . . A 34 LEU N . 31085 1 183 . 1 . 1 28 28 THR H H 1 7.69 0.03 . 1 . . . . A 35 THR H . 31085 1 184 . 1 . 1 28 28 THR C C 13 173.60 0.25 . 1 . . . . A 35 THR C . 31085 1 185 . 1 . 1 28 28 THR CA C 13 60.90 0.25 . 1 . . . . A 35 THR CA . 31085 1 186 . 1 . 1 28 28 THR CB C 13 67.40 0.25 . 1 . . . . A 35 THR CB . 31085 1 187 . 1 . 1 28 28 THR CG2 C 13 19.80 0.25 . 1 . . . . A 35 THR CG2 . 31085 1 188 . 1 . 1 28 28 THR N N 15 102.60 0.10 . 1 . . . . A 35 THR N . 31085 1 189 . 1 . 1 29 29 ALA H H 1 7.41 0.03 . 1 . . . . A 36 ALA H . 31085 1 190 . 1 . 1 29 29 ALA C C 13 177.00 0.25 . 1 . . . . A 36 ALA C . 31085 1 191 . 1 . 1 29 29 ALA CA C 13 51.60 0.25 . 1 . . . . A 36 ALA CA . 31085 1 192 . 1 . 1 29 29 ALA CB C 13 17.60 0.25 . 1 . . . . A 36 ALA CB . 31085 1 193 . 1 . 1 29 29 ALA N N 15 123.10 0.10 . 1 . . . . A 36 ALA N . 31085 1 194 . 1 . 1 30 30 LEU H H 1 7.31 0.03 . 1 . . . . A 37 LEU H . 31085 1 195 . 1 . 1 30 30 LEU C C 13 171.00 0.25 . 1 . . . . A 37 LEU C . 31085 1 196 . 1 . 1 30 30 LEU CA C 13 51.30 0.25 . 1 . . . . A 37 LEU CA . 31085 1 197 . 1 . 1 30 30 LEU CB C 13 36.60 0.25 . 1 . . . . A 37 LEU CB . 31085 1 198 . 1 . 1 30 30 LEU CG C 13 24.40 0.25 . 1 . . . . A 37 LEU CG . 31085 1 199 . 1 . 1 30 30 LEU CD1 C 13 23.30 0.25 . 1 . . . . A 37 LEU CD1 . 31085 1 200 . 1 . 1 30 30 LEU CD2 C 13 19.90 0.25 . 1 . . . . A 37 LEU CD2 . 31085 1 201 . 1 . 1 30 30 LEU N N 15 118.70 0.10 . 1 . . . . A 37 LEU N . 31085 1 202 . 1 . 1 31 31 ARG H H 1 7.10 0.03 . 1 . . . . A 38 ARG H . 31085 1 203 . 1 . 1 31 31 ARG HE H 1 7.20 0.03 . 1 . . . . A 38 ARG HE . 31085 1 204 . 1 . 1 31 31 ARG CA C 13 51.50 0.25 . 1 . . . . A 38 ARG CA . 31085 1 205 . 1 . 1 31 31 ARG CB C 13 27.90 0.25 . 1 . . . . A 38 ARG CB . 31085 1 206 . 1 . 1 31 31 ARG CG C 13 23.50 0.25 . 1 . . . . A 38 ARG CG . 31085 1 207 . 1 . 1 31 31 ARG CD C 13 39.60 0.25 . 1 . . . . A 38 ARG CD . 31085 1 208 . 1 . 1 31 31 ARG CZ C 13 157.30 0.25 . 1 . . . . A 38 ARG CZ . 31085 1 209 . 1 . 1 31 31 ARG N N 15 124.00 0.10 . 1 . . . . A 38 ARG N . 31085 1 210 . 1 . 1 31 31 ARG NE N 15 85.80 0.10 . 1 . . . . A 38 ARG NE . 31085 1 211 . 1 . 1 31 31 ARG NH1 N 15 70.00 0.10 . 1 . . . . A 38 ARG NH1 . 31085 1 212 . 1 . 1 31 31 ARG NH2 N 15 75.80 0.10 . 1 . . . . A 38 ARG NH2 . 31085 1 stop_ save_