################################### # 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 34454 _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 '2D 15N-13C NCA' . . . 34454 1 2 '2D 15N-13C NCO' . . . 34454 1 3 '3D NCACX' . . . 34454 1 4 '3D NCOCX' . . . 34454 1 5 '3D CANCO' . . . 34454 1 6 '2D 13C-13C DARR (<100 ms)' . . . 34454 1 7 '2D 15N-13C PAIN' . . . 34454 1 8 '2D 13C-13C DARR/PDSD (>100 ms)' . . . 34454 1 9 '2D 13C-13C PAR (10-15 ms)' . . . 34454 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 13 173.900 0.3 . 1 . . . . A 2 ALA C . 34454 1 2 . 1 . 1 2 2 ALA CA C 13 50.000 0.3 . 1 . . . . A 2 ALA CA . 34454 1 3 . 1 . 1 2 2 ALA CB C 13 22.100 0.3 . 1 . . . . A 2 ALA CB . 34454 1 4 . 1 . 1 3 3 GLU C C 13 172.600 0.3 . 1 . . . . A 3 GLU C . 34454 1 5 . 1 . 1 3 3 GLU CA C 13 53.400 0.3 . 1 . . . . A 3 GLU CA . 34454 1 6 . 1 . 1 3 3 GLU CB C 13 32.400 0.3 . 1 . . . . A 3 GLU CB . 34454 1 7 . 1 . 1 3 3 GLU N N 15 118.100 0.3 . 1 . . . . A 3 GLU N . 34454 1 8 . 1 . 1 4 4 PHE C C 13 173.300 0.3 . 1 . . . . A 4 PHE C . 34454 1 9 . 1 . 1 4 4 PHE CA C 13 55.400 0.3 . 1 . . . . A 4 PHE CA . 34454 1 10 . 1 . 1 4 4 PHE CB C 13 40.200 0.3 . 1 . . . . A 4 PHE CB . 34454 1 11 . 1 . 1 4 4 PHE CG C 13 136.700 0.3 . 1 . . . . A 4 PHE CG . 34454 1 12 . 1 . 1 4 4 PHE N N 15 122.700 0.3 . 1 . . . . A 4 PHE N . 34454 1 13 . 1 . 1 5 5 ARG C C 13 172.400 0.3 . 1 . . . . A 5 ARG C . 34454 1 14 . 1 . 1 5 5 ARG CA C 13 53.700 0.3 . 1 . . . . A 5 ARG CA . 34454 1 15 . 1 . 1 5 5 ARG CB C 13 32.400 0.3 . 1 . . . . A 5 ARG CB . 34454 1 16 . 1 . 1 5 5 ARG CG C 13 26.300 0.3 . 1 . . . . A 5 ARG CG . 34454 1 17 . 1 . 1 5 5 ARG CD C 13 42.700 0.3 . 1 . . . . A 5 ARG CD . 34454 1 18 . 1 . 1 5 5 ARG N N 15 124.400 0.3 . 1 . . . . A 5 ARG N . 34454 1 19 . 1 . 1 6 6 HIS C C 13 173.600 0.3 . 1 . . . . A 6 HIS C . 34454 1 20 . 1 . 1 6 6 HIS CA C 13 53.800 0.3 . 1 . . . . A 6 HIS CA . 34454 1 21 . 1 . 1 6 6 HIS CB C 13 34.000 0.3 . 1 . . . . A 6 HIS CB . 34454 1 22 . 1 . 1 6 6 HIS N N 15 125.000 0.3 . 1 . . . . A 6 HIS N . 34454 1 23 . 1 . 1 7 7 ASP C C 13 174.998 0.3 . 1 . . . . A 7 ASP C . 34454 1 24 . 1 . 1 7 7 ASP CA C 13 52.400 0.3 . 1 . . . . A 7 ASP CA . 34454 1 25 . 1 . 1 7 7 ASP CB C 13 42.700 0.3 . 1 . . . . A 7 ASP CB . 34454 1 26 . 1 . 1 7 7 ASP CG C 13 179.700 0.3 . 1 . . . . A 7 ASP CG . 34454 1 27 . 1 . 1 7 7 ASP N N 15 125.700 0.3 . 1 . . . . A 7 ASP N . 34454 1 28 . 1 . 1 8 8 SER C C 13 172.493 0.3 . 1 . . . . A 8 SER C . 34454 1 29 . 1 . 1 8 8 SER CA C 13 55.997 0.3 . 1 . . . . A 8 SER CA . 34454 1 30 . 1 . 1 8 8 SER CB C 13 65.696 0.3 . 1 . . . . A 8 SER CB . 34454 1 31 . 1 . 1 8 8 SER N N 15 118.007 0.3 . 1 . . . . A 8 SER N . 34454 1 32 . 1 . 1 9 9 GLY C C 13 170.500 0.3 . 1 . . . . A 9 GLY C . 34454 1 33 . 1 . 1 9 9 GLY CA C 13 43.688 0.3 . 1 . . . . A 9 GLY CA . 34454 1 34 . 1 . 1 9 9 GLY N N 15 111.798 0.3 . 1 . . . . A 9 GLY N . 34454 1 35 . 1 . 1 10 10 TYR C C 13 174.188 0.3 . 1 . . . . A 10 TYR C . 34454 1 36 . 1 . 1 10 10 TYR CA C 13 56.541 0.3 . 1 . . . . A 10 TYR CA . 34454 1 37 . 1 . 1 10 10 TYR CB C 13 41.300 0.3 . 1 . . . . A 10 TYR CB . 34454 1 38 . 1 . 1 10 10 TYR CG C 13 127.000 0.3 . 1 . . . . A 10 TYR CG . 34454 1 39 . 1 . 1 10 10 TYR N N 15 120.082 0.3 . 1 . . . . A 10 TYR N . 34454 1 40 . 1 . 1 11 11 GLU C C 13 173.000 0.3 . 1 . . . . A 11 GLU C . 34454 1 41 . 1 . 1 11 11 GLU CA C 13 54.200 0.3 . 1 . . . . A 11 GLU CA . 34454 1 42 . 1 . 1 11 11 GLU CB C 13 31.300 0.3 . 1 . . . . A 11 GLU CB . 34454 1 43 . 1 . 1 11 11 GLU CG C 13 37.400 0.3 . 1 . . . . A 11 GLU CG . 34454 1 44 . 1 . 1 11 11 GLU CD C 13 181.500 0.3 . 1 . . . . A 11 GLU CD . 34454 1 45 . 1 . 1 11 11 GLU N N 15 127.816 0.3 . 1 . . . . A 11 GLU N . 34454 1 46 . 1 . 1 12 12 VAL C C 13 173.500 0.3 . 1 . . . . A 12 VAL C . 34454 1 47 . 1 . 1 12 12 VAL CA C 13 59.500 0.3 . 1 . . . . A 12 VAL CA . 34454 1 48 . 1 . 1 12 12 VAL CB C 13 33.600 0.3 . 1 . . . . A 12 VAL CB . 34454 1 49 . 1 . 1 12 12 VAL CG1 C 13 19.600 0.3 . 1 . . . . A 12 VAL CG1 . 34454 1 50 . 1 . 1 12 12 VAL CG2 C 13 19.400 0.3 . 1 . . . . A 12 VAL CG2 . 34454 1 51 . 1 . 1 12 12 VAL N N 15 126.300 0.3 . 1 . . . . A 12 VAL N . 34454 1 52 . 1 . 1 13 13 HIS C C 13 173.300 0.3 . 1 . . . . A 13 HIS C . 34454 1 53 . 1 . 1 13 13 HIS CA C 13 53.500 0.3 . 1 . . . . A 13 HIS CA . 34454 1 54 . 1 . 1 13 13 HIS CB C 13 33.800 0.3 . 1 . . . . A 13 HIS CB . 34454 1 55 . 1 . 1 13 13 HIS CD2 C 13 115.200 0.3 . 1 . . . . A 13 HIS CD2 . 34454 1 56 . 1 . 1 13 13 HIS N N 15 124.400 0.3 . 1 . . . . A 13 HIS N . 34454 1 57 . 1 . 1 14 14 HIS C C 13 173.200 0.3 . 1 . . . . A 14 HIS C . 34454 1 58 . 1 . 1 14 14 HIS CA C 13 53.500 0.3 . 1 . . . . A 14 HIS CA . 34454 1 59 . 1 . 1 14 14 HIS CB C 13 36.000 0.3 . 1 . . . . A 14 HIS CB . 34454 1 60 . 1 . 1 14 14 HIS N N 15 125.100 0.3 . 1 . . . . A 14 HIS N . 34454 1 61 . 1 . 1 15 15 GLN C C 13 172.700 0.3 . 1 . . . . A 15 GLN C . 34454 1 62 . 1 . 1 15 15 GLN CA C 13 53.900 0.3 . 1 . . . . A 15 GLN CA . 34454 1 63 . 1 . 1 15 15 GLN CB C 13 31.300 0.3 . 1 . . . . A 15 GLN CB . 34454 1 64 . 1 . 1 15 15 GLN CG C 13 33.200 0.3 . 1 . . . . A 15 GLN CG . 34454 1 65 . 1 . 1 15 15 GLN CD C 13 176.500 0.3 . 1 . . . . A 15 GLN CD . 34454 1 66 . 1 . 1 15 15 GLN N N 15 126.300 0.3 . 1 . . . . A 15 GLN N . 34454 1 67 . 1 . 1 16 16 LYS C C 13 172.700 0.3 . 1 . . . . A 16 LYS C . 34454 1 68 . 1 . 1 16 16 LYS CA C 13 53.900 0.3 . 1 . . . . A 16 LYS CA . 34454 1 69 . 1 . 1 16 16 LYS CB C 13 33.800 0.3 . 1 . . . . A 16 LYS CB . 34454 1 70 . 1 . 1 16 16 LYS CG C 13 26.500 0.3 . 1 . . . . A 16 LYS CG . 34454 1 71 . 1 . 1 16 16 LYS CD C 13 28.600 0.3 . 1 . . . . A 16 LYS CD . 34454 1 72 . 1 . 1 16 16 LYS CE C 13 41.200 0.3 . 1 . . . . A 16 LYS CE . 34454 1 73 . 1 . 1 16 16 LYS N N 15 128.900 0.3 . 1 . . . . A 16 LYS N . 34454 1 74 . 1 . 1 17 17 LEU C C 13 173.900 0.3 . 1 . . . . A 17 LEU C . 34454 1 75 . 1 . 1 17 17 LEU CA C 13 52.100 0.3 . 1 . . . . A 17 LEU CA . 34454 1 76 . 1 . 1 17 17 LEU CB C 13 43.300 0.3 . 1 . . . . A 17 LEU CB . 34454 1 77 . 1 . 1 17 17 LEU CG C 13 26.700 0.3 . 1 . . . . A 17 LEU CG . 34454 1 78 . 1 . 1 17 17 LEU CD1 C 13 24.700 0.3 . 1 . . . . A 17 LEU CD1 . 34454 1 79 . 1 . 1 17 17 LEU CD2 C 13 19.000 0.3 . 1 . . . . A 17 LEU CD2 . 34454 1 80 . 1 . 1 17 17 LEU N N 15 124.900 0.3 . 1 . . . . A 17 LEU N . 34454 1 81 . 1 . 1 18 18 VAL C C 13 171.800 0.3 . 1 . . . . A 18 VAL C . 34454 1 82 . 1 . 1 18 18 VAL CA C 13 60.198 0.3 . 1 . . . . A 18 VAL CA . 34454 1 83 . 1 . 1 18 18 VAL CB C 13 33.700 0.3 . 1 . . . . A 18 VAL CB . 34454 1 84 . 1 . 1 18 18 VAL CG1 C 13 21.100 0.3 . 1 . . . . A 18 VAL CG1 . 34454 1 85 . 1 . 1 18 18 VAL CG2 C 13 20.500 0.3 . 1 . . . . A 18 VAL CG2 . 34454 1 86 . 1 . 1 18 18 VAL N N 15 124.353 0.3 . 1 . . . . A 18 VAL N . 34454 1 87 . 1 . 1 19 19 PHE C C 13 171.900 0.3 . 1 . . . . A 19 PHE C . 34454 1 88 . 1 . 1 19 19 PHE CA C 13 50.596 0.3 . 1 . . . . A 19 PHE CA . 34454 1 89 . 1 . 1 19 19 PHE CB C 13 39.400 0.3 . 1 . . . . A 19 PHE CB . 34454 1 90 . 1 . 1 19 19 PHE CG C 13 137.000 0.3 . 1 . . . . A 19 PHE CG . 34454 1 91 . 1 . 1 19 19 PHE CD1 C 13 129.100 0.3 . 1 . . . . A 19 PHE CD1 . 34454 1 92 . 1 . 1 19 19 PHE N N 15 128.680 0.3 . 1 . . . . A 19 PHE N . 34454 1 93 . 1 . 1 20 20 PHE C C 13 172.700 0.3 . 1 . . . . A 20 PHE C . 34454 1 94 . 1 . 1 20 20 PHE CA C 13 52.500 0.3 . 1 . . . . A 20 PHE CA . 34454 1 95 . 1 . 1 20 20 PHE CB C 13 41.600 0.3 . 1 . . . . A 20 PHE CB . 34454 1 96 . 1 . 1 20 20 PHE N N 15 129.000 0.3 . 1 . . . . A 20 PHE N . 34454 1 97 . 1 . 1 21 21 ALA C C 13 172.690 0.3 . 1 . . . . A 21 ALA C . 34454 1 98 . 1 . 1 21 21 ALA CA C 13 49.200 0.3 . 1 . . . . A 21 ALA CA . 34454 1 99 . 1 . 1 21 21 ALA CB C 13 19.900 0.3 . 1 . . . . A 21 ALA CB . 34454 1 100 . 1 . 1 21 21 ALA N N 15 125.600 0.3 . 1 . . . . A 21 ALA N . 34454 1 101 . 1 . 1 22 22 GLU C C 13 172.500 0.3 . 1 . . . . A 22 GLU C . 34454 1 102 . 1 . 1 22 22 GLU CA C 13 52.500 0.3 . 1 . . . . A 22 GLU CA . 34454 1 103 . 1 . 1 22 22 GLU CB C 13 32.400 0.3 . 1 . . . . A 22 GLU CB . 34454 1 104 . 1 . 1 22 22 GLU CG C 13 35.100 0.3 . 1 . . . . A 22 GLU CG . 34454 1 105 . 1 . 1 22 22 GLU CD C 13 181.600 0.3 . 1 . . . . A 22 GLU CD . 34454 1 106 . 1 . 1 22 22 GLU N N 15 117.793 0.3 . 1 . . . . A 22 GLU N . 34454 1 107 . 1 . 1 23 23 ASP C C 13 173.000 0.3 . 1 . . . . A 23 ASP C . 34454 1 108 . 1 . 1 23 23 ASP CA C 13 53.600 0.3 . 1 . . . . A 23 ASP CA . 34454 1 109 . 1 . 1 23 23 ASP CB C 13 35.190 0.3 . 1 . . . . A 23 ASP CB . 34454 1 110 . 1 . 1 23 23 ASP CG C 13 181.000 0.3 . 1 . . . . A 23 ASP CG . 34454 1 111 . 1 . 1 23 23 ASP N N 15 124.400 0.3 . 1 . . . . A 23 ASP N . 34454 1 112 . 1 . 1 24 24 VAL C C 13 173.000 0.3 . 1 . . . . A 24 VAL C . 34454 1 113 . 1 . 1 24 24 VAL CA C 13 59.094 0.3 . 1 . . . . A 24 VAL CA . 34454 1 114 . 1 . 1 24 24 VAL CB C 13 33.540 0.3 . 1 . . . . A 24 VAL CB . 34454 1 115 . 1 . 1 24 24 VAL CG1 C 13 19.900 0.3 . 1 . . . . A 24 VAL CG1 . 34454 1 116 . 1 . 1 24 24 VAL CG2 C 13 19.900 0.3 . 1 . . . . A 24 VAL CG2 . 34454 1 117 . 1 . 1 24 24 VAL N N 15 123.100 0.3 . 1 . . . . A 24 VAL N . 34454 1 118 . 1 . 1 25 25 GLY C C 13 171.300 0.3 . 1 . . . . A 25 GLY C . 34454 1 119 . 1 . 1 25 25 GLY CA C 13 45.630 0.3 . 1 . . . . A 25 GLY CA . 34454 1 120 . 1 . 1 25 25 GLY N N 15 110.400 0.3 . 1 . . . . A 25 GLY N . 34454 1 121 . 1 . 1 26 26 SER C C 13 172.900 0.3 . 1 . . . . A 26 SER C . 34454 1 122 . 1 . 1 26 26 SER CA C 13 55.210 0.3 . 1 . . . . A 26 SER CA . 34454 1 123 . 1 . 1 26 26 SER CB C 13 66.370 0.3 . 1 . . . . A 26 SER CB . 34454 1 124 . 1 . 1 26 26 SER N N 15 110.500 0.3 . 1 . . . . A 26 SER N . 34454 1 125 . 1 . 1 27 27 ASN C C 13 172.800 0.3 . 1 . . . . A 27 ASN C . 34454 1 126 . 1 . 1 27 27 ASN CA C 13 52.275 0.3 . 1 . . . . A 27 ASN CA . 34454 1 127 . 1 . 1 27 27 ASN CB C 13 34.410 0.3 . 1 . . . . A 27 ASN CB . 34454 1 128 . 1 . 1 27 27 ASN CG C 13 175.300 0.3 . 1 . . . . A 27 ASN CG . 34454 1 129 . 1 . 1 27 27 ASN N N 15 116.399 0.3 . 1 . . . . A 27 ASN N . 34454 1 130 . 1 . 1 28 28 LYS C C 13 173.137 0.3 . 1 . . . . A 28 LYS C . 34454 1 131 . 1 . 1 28 28 LYS CA C 13 53.400 0.3 . 1 . . . . A 28 LYS CA . 34454 1 132 . 1 . 1 28 28 LYS CB C 13 33.660 0.3 . 1 . . . . A 28 LYS CB . 34454 1 133 . 1 . 1 28 28 LYS CG C 13 26.100 0.3 . 1 . . . . A 28 LYS CG . 34454 1 134 . 1 . 1 28 28 LYS CD C 13 29.000 0.3 . 1 . . . . A 28 LYS CD . 34454 1 135 . 1 . 1 28 28 LYS CE C 13 41.200 0.3 . 1 . . . . A 28 LYS CE . 34454 1 136 . 1 . 1 28 28 LYS N N 15 128.200 0.3 . 1 . . . . A 28 LYS N . 34454 1 137 . 1 . 1 29 29 GLY C C 13 169.900 0.3 . 1 . . . . A 29 GLY C . 34454 1 138 . 1 . 1 29 29 GLY CA C 13 39.684 0.3 . 1 . . . . A 29 GLY CA . 34454 1 139 . 1 . 1 29 29 GLY N N 15 105.953 0.3 . 1 . . . . A 29 GLY N . 34454 1 140 . 1 . 1 30 30 ALA C C 13 173.900 0.3 . 1 . . . . A 30 ALA C . 34454 1 141 . 1 . 1 30 30 ALA CA C 13 51.331 0.3 . 1 . . . . A 30 ALA CA . 34454 1 142 . 1 . 1 30 30 ALA CB C 13 16.480 0.3 . 1 . . . . A 30 ALA CB . 34454 1 143 . 1 . 1 30 30 ALA N N 15 122.477 0.3 . 1 . . . . A 30 ALA N . 34454 1 144 . 1 . 1 31 31 ILE C C 13 172.767 0.3 . 1 . . . . A 31 ILE C . 34454 1 145 . 1 . 1 31 31 ILE CA C 13 59.760 0.3 . 1 . . . . A 31 ILE CA . 34454 1 146 . 1 . 1 31 31 ILE CB C 13 38.762 0.3 . 1 . . . . A 31 ILE CB . 34454 1 147 . 1 . 1 31 31 ILE CG1 C 13 27.184 0.3 . 1 . . . . A 31 ILE CG1 . 34454 1 148 . 1 . 1 31 31 ILE CG2 C 13 16.356 0.3 . 1 . . . . A 31 ILE CG2 . 34454 1 149 . 1 . 1 31 31 ILE CD1 C 13 13.019 0.3 . 1 . . . . A 31 ILE CD1 . 34454 1 150 . 1 . 1 31 31 ILE N N 15 120.739 0.3 . 1 . . . . A 31 ILE N . 34454 1 151 . 1 . 1 32 32 ILE C C 13 174.264 0.3 . 1 . . . . A 32 ILE C . 34454 1 152 . 1 . 1 32 32 ILE CA C 13 58.131 0.3 . 1 . . . . A 32 ILE CA . 34454 1 153 . 1 . 1 32 32 ILE CB C 13 38.694 0.3 . 1 . . . . A 32 ILE CB . 34454 1 154 . 1 . 1 32 32 ILE CG1 C 13 25.550 0.3 . 1 . . . . A 32 ILE CG1 . 34454 1 155 . 1 . 1 32 32 ILE CG2 C 13 16.220 0.3 . 1 . . . . A 32 ILE CG2 . 34454 1 156 . 1 . 1 32 32 ILE CD1 C 13 13.263 0.3 . 1 . . . . A 32 ILE CD1 . 34454 1 157 . 1 . 1 32 32 ILE N N 15 124.938 0.3 . 1 . . . . A 32 ILE N . 34454 1 158 . 1 . 1 33 33 GLY C C 13 168.462 0.3 . 1 . . . . A 33 GLY C . 34454 1 159 . 1 . 1 33 33 GLY CA C 13 44.196 0.3 . 1 . . . . A 33 GLY CA . 34454 1 160 . 1 . 1 33 33 GLY N N 15 115.699 0.3 . 1 . . . . A 33 GLY N . 34454 1 161 . 1 . 1 34 34 LEU C C 13 172.810 0.3 . 1 . . . . A 34 LEU C . 34454 1 162 . 1 . 1 34 34 LEU CA C 13 52.505 0.3 . 1 . . . . A 34 LEU CA . 34454 1 163 . 1 . 1 34 34 LEU CB C 13 43.400 0.3 . 1 . . . . A 34 LEU CB . 34454 1 164 . 1 . 1 34 34 LEU CG C 13 27.700 0.3 . 1 . . . . A 34 LEU CG . 34454 1 165 . 1 . 1 34 34 LEU CD1 C 13 26.100 0.3 . 1 . . . . A 34 LEU CD1 . 34454 1 166 . 1 . 1 34 34 LEU CD2 C 13 21.500 0.3 . 1 . . . . A 34 LEU CD2 . 34454 1 167 . 1 . 1 34 34 LEU N N 15 127.930 0.3 . 1 . . . . A 34 LEU N . 34454 1 168 . 1 . 1 35 35 MET C C 13 173.200 0.3 . 1 . . . . A 35 MET C . 34454 1 169 . 1 . 1 35 35 MET CA C 13 52.200 0.3 . 1 . . . . A 35 MET CA . 34454 1 170 . 1 . 1 35 35 MET CB C 13 35.100 0.3 . 1 . . . . A 35 MET CB . 34454 1 171 . 1 . 1 35 35 MET CG C 13 32.300 0.3 . 1 . . . . A 35 MET CG . 34454 1 172 . 1 . 1 35 35 MET CE C 13 17.500 0.3 . 1 . . . . A 35 MET CE . 34454 1 173 . 1 . 1 35 35 MET N N 15 125.000 0.3 . 1 . . . . A 35 MET N . 34454 1 174 . 1 . 1 36 36 VAL C C 13 175.235 0.3 . 1 . . . . A 36 VAL C . 34454 1 175 . 1 . 1 36 36 VAL CA C 13 59.543 0.3 . 1 . . . . A 36 VAL CA . 34454 1 176 . 1 . 1 36 36 VAL CB C 13 32.301 0.3 . 1 . . . . A 36 VAL CB . 34454 1 177 . 1 . 1 36 36 VAL CG1 C 13 19.523 0.3 . 1 . . . . A 36 VAL CG1 . 34454 1 178 . 1 . 1 36 36 VAL CG2 C 13 18.700 0.3 . 1 . . . . A 36 VAL CG2 . 34454 1 179 . 1 . 1 36 36 VAL N N 15 125.700 0.3 . 1 . . . . A 36 VAL N . 34454 1 180 . 1 . 1 37 37 GLY C C 13 170.842 0.3 . 1 . . . . A 37 GLY C . 34454 1 181 . 1 . 1 37 37 GLY CA C 13 44.965 0.3 . 1 . . . . A 37 GLY CA . 34454 1 182 . 1 . 1 37 37 GLY N N 15 109.880 0.3 . 1 . . . . A 37 GLY N . 34454 1 183 . 1 . 1 38 38 GLY C C 13 169.283 0.3 . 1 . . . . A 38 GLY C . 34454 1 184 . 1 . 1 38 38 GLY CA C 13 42.952 0.3 . 1 . . . . A 38 GLY CA . 34454 1 185 . 1 . 1 38 38 GLY N N 15 104.736 0.3 . 1 . . . . A 38 GLY N . 34454 1 186 . 1 . 1 39 39 VAL C C 13 171.907 0.3 . 1 . . . . A 39 VAL C . 34454 1 187 . 1 . 1 39 39 VAL CA C 13 59.634 0.3 . 1 . . . . A 39 VAL CA . 34454 1 188 . 1 . 1 39 39 VAL CB C 13 34.100 0.3 . 1 . . . . A 39 VAL CB . 34454 1 189 . 1 . 1 39 39 VAL CG1 C 13 19.300 0.3 . 1 . . . . A 39 VAL CG1 . 34454 1 190 . 1 . 1 39 39 VAL CG2 C 13 18.300 0.3 . 1 . . . . A 39 VAL CG2 . 34454 1 191 . 1 . 1 39 39 VAL N N 15 122.281 0.3 . 1 . . . . A 39 VAL N . 34454 1 192 . 1 . 1 40 40 VAL C C 13 171.900 0.3 . 1 . . . . A 40 VAL C . 34454 1 193 . 1 . 1 40 40 VAL CA C 13 60.200 0.3 . 1 . . . . A 40 VAL CA . 34454 1 194 . 1 . 1 40 40 VAL CB C 13 33.800 0.3 . 1 . . . . A 40 VAL CB . 34454 1 195 . 1 . 1 40 40 VAL CG1 C 13 19.800 0.3 . 1 . . . . A 40 VAL CG1 . 34454 1 196 . 1 . 1 40 40 VAL CG2 C 13 19.800 0.3 . 1 . . . . A 40 VAL CG2 . 34454 1 197 . 1 . 1 40 40 VAL N N 15 128.826 0.3 . 1 . . . . A 40 VAL N . 34454 1 stop_ save_