################################### # 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 15818 _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 0.3 _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 13C - 13C DARR' . . . 15818 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 2 $CARA . . 15818 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 2 2 ASN CA C 13 53.000 0.3 . 1 . . . . 1 ASN CA . 15818 1 2 . 1 1 2 2 ASN CB C 13 39.100 0.3 . 1 . . . . 1 ASN CB . 15818 1 3 . 1 1 3 3 GLN CA C 13 55.900 0.3 . 1 . . . . 2 GLN CA . 15818 1 4 . 1 1 3 3 GLN CB C 13 30.300 0.3 . 1 . . . . 2 GLN CB . 15818 1 5 . 1 1 3 3 GLN CG C 13 34.000 0.3 . 1 . . . . 2 GLN CG . 15818 1 6 . 1 1 4 4 ALA CA C 13 52.000 0.3 . 1 . . . . 3 ALA CA . 15818 1 7 . 1 1 4 4 ALA CB C 13 20.000 0.3 . 1 . . . . 3 ALA CB . 15818 1 8 . 1 1 5 5 SER CA C 13 57.600 0.3 . 1 . . . . 4 SER CA . 15818 1 9 . 1 1 5 5 SER CB C 13 66.600 0.3 . 1 . . . . 4 SER CB . 15818 1 10 . 1 1 6 6 VAL CA C 13 63.200 0.3 . 1 . . . . 5 VAL CA . 15818 1 11 . 1 1 6 6 VAL CB C 13 32.000 0.3 . 1 . . . . 5 VAL CB . 15818 1 12 . 1 1 6 6 VAL CG1 C 13 23.000 0.3 . 2 . . . . 5 VAL CG1 . 15818 1 13 . 1 1 6 6 VAL CG2 C 13 23.200 0.3 . 2 . . . . 5 VAL CG2 . 15818 1 14 . 1 1 7 7 VAL CA C 13 59.900 0.3 . 1 . . . . 6 VAL CA . 15818 1 15 . 1 1 7 7 VAL CB C 13 35.900 0.3 . 1 . . . . 6 VAL CB . 15818 1 16 . 1 1 7 7 VAL CG1 C 13 22.500 0.3 . 2 . . . . 6 VAL CG1 . 15818 1 17 . 1 1 7 7 VAL CG2 C 13 20.700 0.3 . 2 . . . . 6 VAL CG2 . 15818 1 18 . 1 1 8 8 ALA CA C 13 53.000 0.3 . 1 . . . . 7 ALA CA . 15818 1 19 . 1 1 8 8 ALA CB C 13 19.400 0.3 . 1 . . . . 7 ALA CB . 15818 1 20 . 1 1 9 9 ASN CA C 13 52.200 0.3 . 1 . . . . 8 ASN CA . 15818 1 21 . 1 1 9 9 ASN CB C 13 40.800 0.3 . 1 . . . . 8 ASN CB . 15818 1 22 . 1 1 10 10 GLN CA C 13 53.300 0.3 . 1 . . . . 9 GLN CA . 15818 1 23 . 1 1 10 10 GLN CB C 13 32.900 0.3 . 1 . . . . 9 GLN CB . 15818 1 24 . 1 1 10 10 GLN CG C 13 32.900 0.3 . 1 . . . . 9 GLN CG . 15818 1 25 . 1 1 11 11 LEU CA C 13 56.400 0.3 . 1 . . . . 10 LEU CA . 15818 1 26 . 1 1 11 11 LEU CB C 13 40.500 0.3 . 1 . . . . 10 LEU CB . 15818 1 27 . 1 1 11 11 LEU CD1 C 13 22.100 0.3 . 2 . . . . 10 LEU CD1 . 15818 1 28 . 1 1 11 11 LEU CD2 C 13 25.200 0.3 . 2 . . . . 10 LEU CD2 . 15818 1 29 . 1 1 11 11 LEU CG C 13 28.100 0.3 . 1 . . . . 10 LEU CG . 15818 1 30 . 1 1 12 12 ILE CA C 13 59.200 0.3 . 1 . . . . 11 ILE CA . 15818 1 31 . 1 1 12 12 ILE CB C 13 39.200 0.3 . 1 . . . . 11 ILE CB . 15818 1 32 . 1 1 12 12 ILE CD1 C 13 13.800 0.3 . 1 . . . . 11 ILE CD1 . 15818 1 33 . 1 1 12 12 ILE CG1 C 13 26.000 0.3 . 1 . . . . 11 ILE CG1 . 15818 1 34 . 1 1 12 12 ILE CG2 C 13 19.900 0.3 . 1 . . . . 11 ILE CG2 . 15818 1 35 . 1 1 13 13 PRO CA C 13 61.900 0.3 . 1 . . . . 12 PRO CA . 15818 1 36 . 1 1 13 13 PRO CB C 13 32.500 0.3 . 1 . . . . 12 PRO CB . 15818 1 37 . 1 1 13 13 PRO CD C 13 51.000 0.3 . 1 . . . . 12 PRO CD . 15818 1 38 . 1 1 13 13 PRO CG C 13 27.400 0.3 . 1 . . . . 12 PRO CG . 15818 1 39 . 1 1 14 14 ILE CA C 13 63.800 0.3 . 1 . . . . 13 ILE CA . 15818 1 40 . 1 1 14 14 ILE CB C 13 38.300 0.3 . 1 . . . . 13 ILE CB . 15818 1 41 . 1 1 14 14 ILE CD1 C 13 14.300 0.3 . 1 . . . . 13 ILE CD1 . 15818 1 42 . 1 1 14 14 ILE CG1 C 13 29.200 0.3 . 1 . . . . 13 ILE CG1 . 15818 1 43 . 1 1 14 14 ILE CG2 C 13 15.300 0.3 . 1 . . . . 13 ILE CG2 . 15818 1 44 . 1 1 15 15 ASN CA C 13 55.300 0.3 . 1 . . . . 14 ASN CA . 15818 1 45 . 1 1 15 15 ASN CB C 13 36.900 0.3 . 1 . . . . 14 ASN CB . 15818 1 46 . 1 1 16 16 THR CA C 13 65.300 0.3 . 1 . . . . 15 THR CA . 15818 1 47 . 1 1 16 16 THR CB C 13 68.700 0.3 . 1 . . . . 15 THR CB . 15818 1 48 . 1 1 16 16 THR CG2 C 13 22.500 0.3 . 1 . . . . 15 THR CG2 . 15818 1 49 . 1 1 17 17 ALA CA C 13 50.800 0.3 . 1 . . . . 16 ALA CA . 15818 1 50 . 1 1 17 17 ALA CB C 13 19.700 0.3 . 1 . . . . 16 ALA CB . 15818 1 51 . 1 1 18 18 LEU CA C 13 56.000 0.3 . 1 . . . . 17 LEU CA . 15818 1 52 . 1 1 18 18 LEU CB C 13 42.800 0.3 . 1 . . . . 17 LEU CB . 15818 1 53 . 1 1 18 18 LEU CD1 C 13 25.800 0.3 . 1 . . . . 17 LEU CD1 . 15818 1 54 . 1 1 18 18 LEU CD2 C 13 25.800 0.3 . 1 . . . . 17 LEU CD2 . 15818 1 55 . 1 1 18 18 LEU CG C 13 27.800 0.3 . 1 . . . . 17 LEU CG . 15818 1 56 . 1 1 19 19 THR CA C 13 59.200 0.3 . 1 . . . . 18 THR CA . 15818 1 57 . 1 1 19 19 THR CB C 13 71.600 0.3 . 1 . . . . 18 THR CB . 15818 1 58 . 1 1 19 19 THR CG2 C 13 21.200 0.3 . 1 . . . . 18 THR CG2 . 15818 1 59 . 1 1 20 20 LEU CA C 13 59.400 0.3 . 1 . . . . 19 LEU CA . 15818 1 60 . 1 1 20 20 LEU CB C 13 41.000 0.3 . 1 . . . . 19 LEU CB . 15818 1 61 . 1 1 20 20 LEU CD1 C 13 25.100 0.3 . 2 . . . . 19 LEU CD1 . 15818 1 62 . 1 1 20 20 LEU CD2 C 13 23.800 0.3 . 2 . . . . 19 LEU CD2 . 15818 1 63 . 1 1 20 20 LEU CG C 13 26.800 0.3 . 1 . . . . 19 LEU CG . 15818 1 64 . 1 1 21 21 VAL CA C 13 63.500 0.3 . 1 . . . . 20 VAL CA . 15818 1 65 . 1 1 21 21 VAL CB C 13 31.400 0.3 . 1 . . . . 20 VAL CB . 15818 1 66 . 1 1 21 21 VAL CG1 C 13 20.400 0.3 . 1 . . . . 20 VAL CG1 . 15818 1 67 . 1 1 21 21 VAL CG2 C 13 20.400 0.3 . 1 . . . . 20 VAL CG2 . 15818 1 68 . 1 1 22 22 MET CA C 13 58.000 0.3 . 1 . . . . 21 MET CA . 15818 1 69 . 1 1 22 22 MET CB C 13 33.300 0.3 . 1 . . . . 21 MET CB . 15818 1 70 . 1 1 23 23 MET CA C 13 55.300 0.3 . 1 . . . . 22 MET CA . 15818 1 71 . 1 1 23 23 MET CB C 13 38.500 0.3 . 1 . . . . 22 MET CB . 15818 1 72 . 1 1 23 23 MET CG C 13 31.700 0.3 . 1 . . . . 22 MET CG . 15818 1 73 . 1 1 24 24 ARG CA C 13 53.900 0.3 . 1 . . . . 23 ARG CA . 15818 1 74 . 1 1 24 24 ARG CB C 13 33.300 0.3 . 1 . . . . 23 ARG CB . 15818 1 75 . 1 1 24 24 ARG CD C 13 43.500 0.3 . 1 . . . . 23 ARG CD . 15818 1 76 . 1 1 24 24 ARG CG C 13 27.200 0.3 . 1 . . . . 23 ARG CG . 15818 1 77 . 1 1 25 25 SER CA C 13 56.000 0.3 . 1 . . . . 24 SER CA . 15818 1 78 . 1 1 25 25 SER CB C 13 64.500 0.3 . 1 . . . . 24 SER CB . 15818 1 79 . 1 1 26 26 GLU CA C 13 55.600 0.3 . 1 . . . . 25 GLU CA . 15818 1 80 . 1 1 26 26 GLU CB C 13 35.000 0.3 . 1 . . . . 25 GLU CB . 15818 1 81 . 1 1 26 26 GLU CG C 13 36.400 0.3 . 1 . . . . 25 GLU CG . 15818 1 82 . 1 1 27 27 VAL CA C 13 64.200 0.3 . 1 . . . . 26 VAL CA . 15818 1 83 . 1 1 27 27 VAL CB C 13 30.100 0.3 . 1 . . . . 26 VAL CB . 15818 1 84 . 1 1 27 27 VAL CG1 C 13 21.300 0.3 . 2 . . . . 26 VAL CG1 . 15818 1 85 . 1 1 27 27 VAL CG2 C 13 20.800 0.3 . 2 . . . . 26 VAL CG2 . 15818 1 86 . 1 1 28 28 VAL CA C 13 59.200 0.3 . 1 . . . . 27 VAL CA . 15818 1 87 . 1 1 28 28 VAL CB C 13 36.200 0.3 . 1 . . . . 27 VAL CB . 15818 1 88 . 1 1 28 28 VAL CG1 C 13 22.300 0.3 . 2 . . . . 27 VAL CG1 . 15818 1 89 . 1 1 28 28 VAL CG2 C 13 17.700 0.3 . 2 . . . . 27 VAL CG2 . 15818 1 90 . 1 1 29 29 THR CA C 13 59.000 0.3 . 1 . . . . 28 THR CA . 15818 1 91 . 1 1 29 29 THR CB C 13 71.100 0.3 . 1 . . . . 28 THR CB . 15818 1 92 . 1 1 29 29 THR CG2 C 13 20.900 0.3 . 1 . . . . 28 THR CG2 . 15818 1 93 . 1 1 30 30 PRO CA C 13 62.400 0.3 . 1 . . . . 29 PRO CA . 15818 1 94 . 1 1 30 30 PRO CB C 13 34.700 0.3 . 1 . . . . 29 PRO CB . 15818 1 95 . 1 1 30 30 PRO CD C 13 50.300 0.3 . 1 . . . . 29 PRO CD . 15818 1 96 . 1 1 30 30 PRO CG C 13 25.400 0.3 . 1 . . . . 29 PRO CG . 15818 1 97 . 1 1 31 31 VAL CA C 13 62.500 0.3 . 1 . . . . 30 VAL CA . 15818 1 98 . 1 1 31 31 VAL CB C 13 32.100 0.3 . 1 . . . . 30 VAL CB . 15818 1 99 . 1 1 31 31 VAL CG1 C 13 21.400 0.3 . 2 . . . . 30 VAL CG1 . 15818 1 100 . 1 1 31 31 VAL CG2 C 13 19.900 0.3 . 2 . . . . 30 VAL CG2 . 15818 1 101 . 1 1 32 32 GLY CA C 13 45.100 0.3 . 1 . . . . 31 GLY CA . 15818 1 102 . 1 1 33 33 ILE CA C 13 61.300 0.3 . 1 . . . . 32 ILE CA . 15818 1 103 . 1 1 33 33 ILE CB C 13 39.700 0.3 . 1 . . . . 32 ILE CB . 15818 1 104 . 1 1 33 33 ILE CD1 C 13 13.900 0.3 . 1 . . . . 32 ILE CD1 . 15818 1 105 . 1 1 33 33 ILE CG1 C 13 28.700 0.3 . 1 . . . . 32 ILE CG1 . 15818 1 106 . 1 1 33 33 ILE CG2 C 13 15.900 0.3 . 1 . . . . 32 ILE CG2 . 15818 1 107 . 1 1 34 34 PRO CA C 13 63.100 0.3 . 1 . . . . 33 PRO CA . 15818 1 108 . 1 1 34 34 PRO CB C 13 32.700 0.3 . 1 . . . . 33 PRO CB . 15818 1 109 . 1 1 34 34 PRO CD C 13 51.100 0.3 . 1 . . . . 33 PRO CD . 15818 1 110 . 1 1 34 34 PRO CG C 13 27.700 0.3 . 1 . . . . 33 PRO CG . 15818 1 111 . 1 1 35 35 ALA CA C 13 54.800 0.3 . 1 . . . . 34 ALA CA . 15818 1 112 . 1 1 35 35 ALA CB C 13 18.500 0.3 . 1 . . . . 34 ALA CB . 15818 1 113 . 1 1 36 36 GLU CA C 13 59.200 0.3 . 1 . . . . 35 GLU CA . 15818 1 114 . 1 1 36 36 GLU CB C 13 28.900 0.3 . 1 . . . . 35 GLU CB . 15818 1 115 . 1 1 36 36 GLU CG C 13 36.800 0.3 . 1 . . . . 35 GLU CG . 15818 1 116 . 1 1 37 37 ASP CA C 13 54.900 0.3 . 1 . . . . 36 ASP CA . 15818 1 117 . 1 1 37 37 ASP CB C 13 40.700 0.3 . 1 . . . . 36 ASP CB . 15818 1 118 . 1 1 38 38 ILE CA C 13 69.100 0.3 . 1 . . . . 37 ILE CA . 15818 1 119 . 1 1 38 38 ILE CB C 13 36.200 0.3 . 1 . . . . 37 ILE CB . 15818 1 120 . 1 1 38 38 ILE CD1 C 13 12.400 0.3 . 1 . . . . 37 ILE CD1 . 15818 1 121 . 1 1 38 38 ILE CG1 C 13 33.300 0.3 . 1 . . . . 37 ILE CG1 . 15818 1 122 . 1 1 38 38 ILE CG2 C 13 16.800 0.3 . 1 . . . . 37 ILE CG2 . 15818 1 123 . 1 1 39 39 PRO CA C 13 65.900 0.3 . 1 . . . . 38 PRO CA . 15818 1 124 . 1 1 39 39 PRO CB C 13 31.200 0.3 . 1 . . . . 38 PRO CB . 15818 1 125 . 1 1 39 39 PRO CD C 13 49.000 0.3 . 1 . . . . 38 PRO CD . 15818 1 126 . 1 1 39 39 PRO CG C 13 28.500 0.3 . 1 . . . . 38 PRO CG . 15818 1 127 . 1 1 40 40 ARG CA C 13 57.300 0.3 . 1 . . . . 39 ARG CA . 15818 1 128 . 1 1 40 40 ARG CB C 13 30.800 0.3 . 1 . . . . 39 ARG CB . 15818 1 129 . 1 1 40 40 ARG CD C 13 44.100 0.3 . 1 . . . . 39 ARG CD . 15818 1 130 . 1 1 40 40 ARG CG C 13 27.500 0.3 . 1 . . . . 39 ARG CG . 15818 1 131 . 1 1 41 41 LEU CA C 13 55.500 0.3 . 1 . . . . 40 LEU CA . 15818 1 132 . 1 1 41 41 LEU CB C 13 42.700 0.3 . 1 . . . . 40 LEU CB . 15818 1 133 . 1 1 41 41 LEU CD1 C 13 24.400 0.3 . 2 . . . . 40 LEU CD1 . 15818 1 134 . 1 1 41 41 LEU CD2 C 13 25.000 0.3 . 2 . . . . 40 LEU CD2 . 15818 1 135 . 1 1 41 41 LEU CG C 13 26.800 0.3 . 1 . . . . 40 LEU CG . 15818 1 136 . 1 1 42 42 VAL CA C 13 65.000 0.3 . 1 . . . . 41 VAL CA . 15818 1 137 . 1 1 42 42 VAL CB C 13 31.600 0.3 . 1 . . . . 41 VAL CB . 15818 1 138 . 1 1 42 42 VAL CG1 C 13 23.100 0.3 . 2 . . . . 41 VAL CG1 . 15818 1 139 . 1 1 42 42 VAL CG2 C 13 21.400 0.3 . 2 . . . . 41 VAL CG2 . 15818 1 140 . 1 1 43 43 SER CA C 13 58.200 0.3 . 1 . . . . 42 SER CA . 15818 1 141 . 1 1 43 43 SER CB C 13 63.800 0.3 . 1 . . . . 42 SER CB . 15818 1 142 . 1 1 44 44 MET CA C 13 57.000 0.3 . 1 . . . . 43 MET CA . 15818 1 143 . 1 1 44 44 MET CB C 13 32.800 0.3 . 1 . . . . 43 MET CB . 15818 1 144 . 1 1 44 44 MET CG C 13 31.100 0.3 . 1 . . . . 43 MET CG . 15818 1 145 . 1 1 45 45 GLN CA C 13 54.500 0.3 . 1 . . . . 44 GLN CA . 15818 1 146 . 1 1 45 45 GLN CB C 13 32.300 0.3 . 1 . . . . 44 GLN CB . 15818 1 147 . 1 1 45 45 GLN CG C 13 34.100 0.3 . 1 . . . . 44 GLN CG . 15818 1 148 . 1 1 46 46 VAL CA C 13 59.600 0.3 . 1 . . . . 45 VAL CA . 15818 1 149 . 1 1 46 46 VAL CB C 13 33.500 0.3 . 1 . . . . 45 VAL CB . 15818 1 150 . 1 1 46 46 VAL CG1 C 13 22.400 0.3 . 2 . . . . 45 VAL CG1 . 15818 1 151 . 1 1 46 46 VAL CG2 C 13 20.700 0.3 . 2 . . . . 45 VAL CG2 . 15818 1 152 . 1 1 47 47 ASN CA C 13 51.600 0.3 . 1 . . . . 46 ASN CA . 15818 1 153 . 1 1 47 47 ASN CB C 13 39.000 0.3 . 1 . . . . 46 ASN CB . 15818 1 154 . 1 1 48 48 ARG CA C 13 53.700 0.3 . 1 . . . . 47 ARG CA . 15818 1 155 . 1 1 48 48 ARG CB C 13 32.000 0.3 . 1 . . . . 47 ARG CB . 15818 1 156 . 1 1 48 48 ARG CD C 13 44.000 0.3 . 1 . . . . 47 ARG CD . 15818 1 157 . 1 1 48 48 ARG CG C 13 24.000 0.3 . 1 . . . . 47 ARG CG . 15818 1 158 . 1 1 49 49 ALA CA C 13 52.200 0.3 . 1 . . . . 48 ALA CA . 15818 1 159 . 1 1 49 49 ALA CB C 13 17.800 0.3 . 1 . . . . 48 ALA CB . 15818 1 160 . 1 1 50 50 VAL CA C 13 59.600 0.3 . 1 . . . . 49 VAL CA . 15818 1 161 . 1 1 50 50 VAL CB C 13 33.700 0.3 . 1 . . . . 49 VAL CB . 15818 1 162 . 1 1 50 50 VAL CG1 C 13 22.400 0.3 . 2 . . . . 49 VAL CG1 . 15818 1 163 . 1 1 50 50 VAL CG2 C 13 20.400 0.3 . 2 . . . . 49 VAL CG2 . 15818 1 164 . 1 1 51 51 PRO CA C 13 62.400 0.3 . 1 . . . . 50 PRO CA . 15818 1 165 . 1 1 51 51 PRO CB C 13 32.500 0.3 . 1 . . . . 50 PRO CB . 15818 1 166 . 1 1 51 51 PRO CD C 13 51.200 0.3 . 1 . . . . 50 PRO CD . 15818 1 167 . 1 1 51 51 PRO CG C 13 27.500 0.3 . 1 . . . . 50 PRO CG . 15818 1 168 . 1 1 52 52 LEU CA C 13 57.800 0.3 . 1 . . . . 51 LEU CA . 15818 1 169 . 1 1 52 52 LEU CB C 13 42.700 0.3 . 1 . . . . 51 LEU CB . 15818 1 170 . 1 1 52 52 LEU CD1 C 13 25.200 0.3 . 2 . . . . 51 LEU CD1 . 15818 1 171 . 1 1 52 52 LEU CD2 C 13 24.800 0.3 . 2 . . . . 51 LEU CD2 . 15818 1 172 . 1 1 52 52 LEU CG C 13 27.200 0.3 . 1 . . . . 51 LEU CG . 15818 1 173 . 1 1 53 53 GLY CA C 13 45.400 0.3 . 1 . . . . 52 GLY CA . 15818 1 174 . 1 1 54 54 THR CA C 13 63.200 0.3 . 1 . . . . 53 THR CA . 15818 1 175 . 1 1 54 54 THR CB C 13 69.300 0.3 . 1 . . . . 53 THR CB . 15818 1 176 . 1 1 54 54 THR CG2 C 13 21.600 0.3 . 1 . . . . 53 THR CG2 . 15818 1 177 . 1 1 55 55 THR CA C 13 63.200 0.3 . 1 . . . . 54 THR CA . 15818 1 178 . 1 1 55 55 THR CB C 13 68.700 0.3 . 1 . . . . 54 THR CB . 15818 1 179 . 1 1 55 55 THR CG2 C 13 22.600 0.3 . 1 . . . . 54 THR CG2 . 15818 1 180 . 1 1 56 56 LEU CA C 13 55.600 0.3 . 1 . . . . 55 LEU CA . 15818 1 181 . 1 1 56 56 LEU CB C 13 42.300 0.3 . 1 . . . . 55 LEU CB . 15818 1 182 . 1 1 56 56 LEU CD1 C 13 26.200 0.3 . 2 . . . . 55 LEU CD1 . 15818 1 183 . 1 1 56 56 LEU CD2 C 13 25.300 0.3 . 2 . . . . 55 LEU CD2 . 15818 1 184 . 1 1 56 56 LEU CG C 13 28.500 0.3 . 1 . . . . 55 LEU CG . 15818 1 185 . 1 1 57 57 MET CA C 13 51.200 0.3 . 1 . . . . 56 MET CA . 15818 1 186 . 1 1 57 57 MET CB C 13 32.000 0.3 . 1 . . . . 56 MET CB . 15818 1 187 . 1 1 58 58 PRO CA C 13 66.100 0.3 . 1 . . . . 57 PRO CA . 15818 1 188 . 1 1 58 58 PRO CB C 13 32.800 0.3 . 1 . . . . 57 PRO CB . 15818 1 189 . 1 1 58 58 PRO CD C 13 50.600 0.3 . 1 . . . . 57 PRO CD . 15818 1 190 . 1 1 58 58 PRO CG C 13 27.800 0.3 . 1 . . . . 57 PRO CG . 15818 1 191 . 1 1 59 59 ASP CA C 13 54.700 0.3 . 1 . . . . 58 ASP CA . 15818 1 192 . 1 1 59 59 ASP CB C 13 39.900 0.3 . 1 . . . . 58 ASP CB . 15818 1 193 . 1 1 60 60 MET CA C 13 57.100 0.3 . 1 . . . . 59 MET CA . 15818 1 194 . 1 1 60 60 MET CB C 13 33.900 0.3 . 1 . . . . 59 MET CB . 15818 1 195 . 1 1 60 60 MET CG C 13 30.300 0.3 . 1 . . . . 59 MET CG . 15818 1 196 . 1 1 61 61 VAL CA C 13 61.300 0.3 . 1 . . . . 60 VAL CA . 15818 1 197 . 1 1 61 61 VAL CB C 13 33.400 0.3 . 1 . . . . 60 VAL CB . 15818 1 198 . 1 1 61 61 VAL CG1 C 13 21.300 0.3 . 2 . . . . 60 VAL CG1 . 15818 1 199 . 1 1 61 61 VAL CG2 C 13 22.100 0.3 . 2 . . . . 60 VAL CG2 . 15818 1 200 . 1 1 62 62 LYS CA C 13 58.200 0.3 . 1 . . . . 61 LYS CA . 15818 1 201 . 1 1 62 62 LYS CB C 13 31.600 0.3 . 1 . . . . 61 LYS CB . 15818 1 202 . 1 1 62 62 LYS CD C 13 26.000 0.3 . 1 . . . . 61 LYS CD . 15818 1 203 . 1 1 62 62 LYS CE C 13 42.700 0.3 . 1 . . . . 61 LYS CE . 15818 1 204 . 1 1 62 62 LYS CG C 13 30.500 0.3 . 1 . . . . 61 LYS CG . 15818 1 205 . 1 1 63 63 GLY CA C 13 45.600 0.3 . 1 . . . . 62 GLY CA . 15818 1 206 . 1 1 64 64 TYR CA C 13 62.300 0.3 . 1 . . . . 63 TYR CA . 15818 1 207 . 1 1 64 64 TYR CB C 13 39.100 0.3 . 1 . . . . 63 TYR CB . 15818 1 208 . 1 1 65 65 ALA CA C 13 53.400 0.3 . 1 . . . . 64 ALA CA . 15818 1 209 . 1 1 65 65 ALA CB C 13 18.900 0.3 . 1 . . . . 64 ALA CB . 15818 1 210 . 1 1 66 66 ALA CA C 13 52.400 0.3 . 1 . . . . 65 ALA CA . 15818 1 211 . 1 1 66 66 ALA CB C 13 19.000 0.3 . 1 . . . . 65 ALA CB . 15818 1 212 . 1 1 67 67 LEU CA C 13 55.300 0.3 . 1 . . . . 66 LEU CA . 15818 1 213 . 1 1 67 67 LEU CB C 13 41.900 0.3 . 1 . . . . 66 LEU CB . 15818 1 214 . 1 1 67 67 LEU CD1 C 13 24.800 0.3 . 2 . . . . 66 LEU CD1 . 15818 1 215 . 1 1 67 67 LEU CD2 C 13 23.200 0.3 . 2 . . . . 66 LEU CD2 . 15818 1 216 . 1 1 67 67 LEU CG C 13 26.900 0.3 . 1 . . . . 66 LEU CG . 15818 1 217 . 1 1 68 68 GLU CA C 13 56.700 0.3 . 1 . . . . 67 GLU CA . 15818 1 218 . 1 1 68 68 GLU CB C 13 30.200 0.3 . 1 . . . . 67 GLU CB . 15818 1 219 . 1 1 68 68 GLU CG C 13 36.200 0.3 . 1 . . . . 67 GLU CG . 15818 1 stop_ save_