################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6993 _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 $conditions_of_TFPP _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $TMS _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _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 2 ROESY 1 $sample_1 isotropic 6993 1 3 IP-COSY 1 $sample_1 isotropic 6993 1 4 TOCSY 1 $sample_1 isotropic 6993 1 5 1H15N_HSQC 1 $sample_1 isotropic 6993 1 6 1H13C_HSQC 1 $sample_1 isotropic 6993 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID Water H . 4.701 0.02 6993 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 1 $NMRView . . 6993 1 2 $nmrpipe . . 6993 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.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 3 3 LYS H H 1 8.50 0.02 . 1 . . . . . 247 LYS HN . 6993 1 2 . 1 1 3 3 LYS HA H 1 4.14 0.02 . 1 . . . . . 247 LYS HA . 6993 1 3 . 1 1 3 3 LYS HB2 H 1 1.66 0.02 . 2 . . . . . 247 LYS HB2 . 6993 1 4 . 1 1 3 3 LYS HB3 H 1 1.55 0.02 . 2 . . . . . 247 LYS HB3 . 6993 1 5 . 1 1 3 3 LYS HG2 H 1 1.28 0.02 . 1 . . . . . 247 LYS QG . 6993 1 6 . 1 1 3 3 LYS HG3 H 1 1.28 0.02 . 1 . . . . . 247 LYS QG . 6993 1 7 . 1 1 3 3 LYS CA C 13 56.2 0.10 . 1 . . . . . 247 LYS CA . 6993 1 8 . 1 1 3 3 LYS CB C 13 33.3 0.10 . 1 . . . . . 247 LYS CB . 6993 1 9 . 1 1 3 3 LYS CG C 13 24.8 0.10 . 1 . . . . . 247 LYS CG . 6993 1 10 . 1 1 3 3 LYS N N 15 124.2 0.10 . 1 . . . . . 247 LYS N . 6993 1 11 . 1 1 4 4 ALA H H 1 8.39 0.02 . 1 . . . . . 248 ALA HN . 6993 1 12 . 1 1 4 4 ALA HA H 1 4.15 0.02 . 1 . . . . . 248 ALA HA . 6993 1 13 . 1 1 4 4 ALA HB1 H 1 1.24 0.02 . 1 . . . . . 248 ALA HB . 6993 1 14 . 1 1 4 4 ALA HB2 H 1 1.24 0.02 . 1 . . . . . 248 ALA HB . 6993 1 15 . 1 1 4 4 ALA HB3 H 1 1.24 0.02 . 1 . . . . . 248 ALA HB . 6993 1 16 . 1 1 4 4 ALA CA C 13 52.4 0.10 . 1 . . . . . 248 ALA CA . 6993 1 17 . 1 1 4 4 ALA CB C 13 19.5 0.02 . 1 . . . . . 248 ALA CB . 6993 1 18 . 1 1 4 4 ALA N N 15 126.1 0.10 . 1 . . . . . 248 ALA N . 6993 1 19 . 1 1 5 5 GLY H H 1 8.25 0.02 . 1 . . . . . 249 GLY HN . 6993 1 20 . 1 1 5 5 GLY HA2 H 1 3.83 0.02 . 1 . . . . . 249 GLY HA2 . 6993 1 21 . 1 1 5 5 GLY HA3 H 1 3.83 0.02 . 1 . . . . . 249 GLY HA3 . 6993 1 22 . 1 1 5 5 GLY N N 15 108.7 0.02 . 1 . . . . . 249 GLY N . 6993 1 23 . 1 1 6 6 VAL H H 1 8.04 0.02 . 1 . . . . . 250 VAL HN . 6993 1 24 . 1 1 6 6 VAL HA H 1 4.06 0.02 . 1 . . . . . 250 VAL HA . 6993 1 25 . 1 1 6 6 VAL HB H 1 2.00 0.02 . 1 . . . . . 250 VAL HB . 6993 1 26 . 1 1 6 6 VAL HG11 H 1 0.81 0.02 . 2 . . . . . 250 VAL HG1 . 6993 1 27 . 1 1 6 6 VAL HG12 H 1 0.81 0.02 . 2 . . . . . 250 VAL HG1 . 6993 1 28 . 1 1 6 6 VAL HG13 H 1 0.81 0.02 . 2 . . . . . 250 VAL HG1 . 6993 1 29 . 1 1 6 6 VAL HG21 H 1 0.81 0.02 . 2 . . . . . 250 VAL HG2 . 6993 1 30 . 1 1 6 6 VAL HG22 H 1 0.81 0.02 . 2 . . . . . 250 VAL HG2 . 6993 1 31 . 1 1 6 6 VAL HG23 H 1 0.81 0.02 . 2 . . . . . 250 VAL HG2 . 6993 1 32 . 1 1 6 6 VAL CA C 13 62.3 0.10 . 1 . . . . . 250 VAL CA . 6993 1 33 . 1 1 6 6 VAL CB C 13 32.7 0.10 . 1 . . . . . 250 VAL CB . 6993 1 34 . 1 1 6 6 VAL N N 15 125.1 0.10 . 1 . . . . . 250 VAL N . 6993 1 35 . 1 1 7 7 GLY H H 1 8.70 0.02 . 1 . . . . . 251 GLY HN . 6993 1 36 . 1 1 7 7 GLY HA2 H 1 3.86 0.02 . 2 . . . . . 251 GLY HA2 . 6993 1 37 . 1 1 7 7 GLY HA3 H 1 3.93 0.02 . 2 . . . . . 251 GLY HA3 . 6993 1 38 . 1 1 7 7 GLY CA C 13 45.2 0.10 . 1 . . . . . 251 GLY CA . 6993 1 39 . 1 1 7 7 GLY N N 15 113.5 0.10 . 1 . . . . . 251 GLY N . 6993 1 40 . 1 1 8 8 GLN H H 1 8.20 0.02 . 1 . . . . . 252 GLN HN . 6993 1 41 . 1 1 8 8 GLN HA H 1 4.24 0.02 . 1 . . . . . 252 GLN HA . 6993 1 42 . 1 1 8 8 GLN HB2 H 1 1.92 0.02 . 2 . . . . . 252 GLN HB2 . 6993 1 43 . 1 1 8 8 GLN HB3 H 1 1.80 0.02 . 2 . . . . . 252 GLN HB3 . 6993 1 44 . 1 1 8 8 GLN HG2 H 1 2.17 0.02 . 1 . . . . . 252 GLN HG . 6993 1 45 . 1 1 8 8 GLN HG3 H 1 2.17 0.02 . 1 . . . . . 252 GLN HG . 6993 1 46 . 1 1 8 8 GLN HE21 H 1 6.82 0.02 . 2 . . . . . 252 GLN HD21 . 6993 1 47 . 1 1 8 8 GLN HE22 H 1 7.52 0.02 . 2 . . . . . 252 GLN HD22 . 6993 1 48 . 1 1 8 8 GLN CA C 13 55.7 0.10 . 1 . . . . . 252 GLN CA . 6993 1 49 . 1 1 8 8 GLN CG C 13 33.7 0.10 . 1 . . . . . 252 GLN CG . 6993 1 50 . 1 1 8 8 GLN N N 15 119.4 0.10 . 1 . . . . . 252 GLN N . 6993 1 51 . 1 1 8 8 GLN NE2 N 15 112.9 0.10 . 1 . . . . . 252 GLN NE2 . 6993 1 52 . 1 1 9 9 SEP H H 1 8.99 0.02 . 1 . . . . . 253 SEP HN . 6993 1 53 . 1 1 9 9 SEP HA H 1 4.35 0.02 . 1 . . . . . 253 SEP HA . 6993 1 54 . 1 1 9 9 SEP HB2 H 1 3.99 0.02 . 1 . . . . . 253 SEP HB . 6993 1 55 . 1 1 9 9 SEP N N 15 118.0 0.10 . 1 . . . . . 253 SEP N . 6993 1 56 . 1 1 9 9 SEP CA C 13 58.0 0.10 . 1 . . . . . 253 SEP CA . 6993 1 57 . 1 1 9 9 SEP CB C 13 65.6 0.10 . 1 . . . . . 253 SEP CB . 6993 1 58 . 1 1 10 10 TRP H H 1 8.13 0.02 . 1 . . . . . 254 TRP HN . 6993 1 59 . 1 1 10 10 TRP HA H 1 4.50 0.02 . 1 . . . . . 254 TRP HA . 6993 1 60 . 1 1 10 10 TRP HB2 H 1 3.16 0.02 . 1 . . . . . 254 TRP HB2 . 6993 1 61 . 1 1 10 10 TRP HB3 H 1 3.16 0.02 . 1 . . . . . 254 TRP HB3 . 6993 1 62 . 1 1 10 10 TRP HD1 H 1 7.18 0.02 . 1 . . . . . 254 TRP HD1 . 6993 1 63 . 1 1 10 10 TRP HE1 H 1 10.1 0.02 . 1 . . . . . 254 TRP HE1 . 6993 1 64 . 1 1 10 10 TRP HE3 H 1 7.46 0.02 . 1 . . . . . 254 TRP HE3 . 6993 1 65 . 1 1 10 10 TRP HZ2 H 1 7.39 0.02 . 1 . . . . . 254 TRP HZ2 . 6993 1 66 . 1 1 10 10 TRP HZ3 H 1 7.03 0.02 . 1 . . . . . 254 TRP HZ3 . 6993 1 67 . 1 1 10 10 TRP HH2 H 1 7.12 0.02 . 1 . . . . . 254 TRP HH2 . 6993 1 68 . 1 1 10 10 TRP CA C 13 57.5 0.10 . 1 . . . . . 254 TRP CA . 6993 1 69 . 1 1 10 10 TRP CB C 13 29.5 0.10 . 1 . . . . . 254 TRP CB . 6993 1 70 . 1 1 10 10 TRP N N 15 120.6 0.10 . 1 . . . . . 254 TRP N . 6993 1 71 . 1 1 10 10 TRP NE1 N 15 129.8 0.10 . 1 . . . . . 254 TRP NE1 . 6993 1 72 . 1 1 11 11 LYS H H 1 7.79 0.02 . 1 . . . . . 255 LYS HN . 6993 1 73 . 1 1 11 11 LYS HA H 1 4.07 0.02 . 1 . . . . . 255 LYS HA . 6993 1 74 . 1 1 11 11 LYS HB2 H 1 1.55 0.02 . 2 . . . . . 255 LYS HB2 . 6993 1 75 . 1 1 11 11 LYS HB3 H 1 1.46 0.02 . 2 . . . . . 255 LYS HB3 . 6993 1 76 . 1 1 11 11 LYS HG2 H 1 1.08 0.02 . 1 . . . . . 255 LYS QG . 6993 1 77 . 1 1 11 11 LYS HG3 H 1 1.08 0.02 . 1 . . . . . 255 LYS QG . 6993 1 78 . 1 1 11 11 LYS HD2 H 1 1.54 0.02 . 1 . . . . . 255 LYS QD . 6993 1 79 . 1 1 11 11 LYS HD3 H 1 1.54 0.02 . 1 . . . . . 255 LYS QD . 6993 1 80 . 1 1 11 11 LYS HE2 H 1 2.90 0.02 . 1 . . . . . 255 LYS QE . 6993 1 81 . 1 1 11 11 LYS HE3 H 1 2.90 0.02 . 1 . . . . . 255 LYS QE . 6993 1 82 . 1 1 11 11 LYS CA C 13 55.6 0.10 . 1 . . . . . 255 LYS CA . 6993 1 83 . 1 1 11 11 LYS CB C 13 33.6 0.10 . 1 . . . . . 255 LYS CB . 6993 1 84 . 1 1 11 11 LYS CG C 13 24.312 0.10 . 1 . . . . . 255 LYS CG . 6993 1 85 . 1 1 11 11 LYS CE C 13 42.1 0.10 . 1 . . . . . 255 LYS CE . 6993 1 86 . 1 1 11 11 LYS N N 15 123.7 0.10 . 1 . . . . . 255 LYS N . 6993 1 87 . 1 1 12 12 GLU H H 1 8.16 0.02 . 1 . . . . . 256 GLU HN . 6993 1 88 . 1 1 12 12 GLU HA H 1 4.01 0.02 . 1 . . . . . 256 GLU HA . 6993 1 89 . 1 1 12 12 GLU HB2 H 1 1.79 0.02 . 2 . . . . . 256 GLU HB2 . 6993 1 90 . 1 1 12 12 GLU HB3 H 1 1.91 0.02 . 2 . . . . . 256 GLU HB3 . 6993 1 91 . 1 1 12 12 GLU HG2 H 1 2.17 0.02 . 1 . . . . . 256 GLU QG . 6993 1 92 . 1 1 12 12 GLU HG3 H 1 2.17 0.02 . 1 . . . . . 256 GLU QG . 6993 1 93 . 1 1 12 12 GLU CA C 13 56.3 0.10 . 1 . . . . . 256 GLU CA . 6993 1 94 . 1 1 12 12 GLU CG C 13 36.0 0.10 . 1 . . . . . 256 GLU CG . 6993 1 95 . 1 1 13 13 ASN H H 1 8.44 0.02 . 1 . . . . . 257 ASN HN . 6993 1 96 . 1 1 13 13 ASN HA H 1 4.85 0.02 . 1 . . . . . 257 ASN HA . 6993 1 97 . 1 1 13 13 ASN HB2 H 1 2.63 0.02 . 2 . . . . . 257 ASN HB2 . 6993 1 98 . 1 1 13 13 ASN HB3 H 1 2.73 0.02 . 2 . . . . . 257 ASN HB3 . 6993 1 99 . 1 1 13 13 ASN HD21 H 1 7.62 0.02 . 2 . . . . . 257 ASN HD21 . 6993 1 100 . 1 1 13 13 ASN HD22 H 1 6.88 0.02 . 2 . . . . . 257 ASN HD22 . 6993 1 101 . 1 1 13 13 ASN CA C 13 53.3 0.02 . 1 . . . . . 257 ASN CA . 6993 1 102 . 1 1 13 13 ASN N N 15 120.2 0.10 . 1 . . . . . 257 ASN N . 6993 1 103 . 1 1 13 13 ASN ND2 N 15 113.4 0.10 . 1 . . . . . 257 ASN ND2 . 6993 1 104 . 1 1 14 14 SEP H H 1 8.66 0.02 . 1 . . . . . 258 SEP HN . 6993 1 105 . 1 1 14 14 SEP HA H 1 4.69 0.02 . 1 . . . . . 258 SEP HA . 6993 1 106 . 1 1 14 14 SEP HB2 H 1 3.89 0.02 . 2 . . . . . 258 SEP HB2 . 6993 1 107 . 1 1 14 14 SEP HB3 H 1 3.99 0.02 . 2 . . . . . 258 SEP HB3 . 6993 1 108 . 1 1 14 14 SEP N N 15 118.6 0.10 . 1 . . . . . 258 SEP N . 6993 1 109 . 1 1 14 14 SEP CA C 13 55.8 0.10 . 1 . . . . . 258 SEP CA . 6993 1 110 . 1 1 14 14 SEP CB C 13 65.1 0.10 . 1 . . . . . 258 SEP CB . 6993 1 111 . 1 1 15 15 PRO HA H 1 4.28 0.02 . 1 . . . . . 259 PRO HA . 6993 1 112 . 1 1 15 15 PRO HB2 H 1 1.69 0.02 . 2 . . . . . 259 PRO HB2 . 6993 1 113 . 1 1 15 15 PRO HB3 H 1 1.50 0.02 . 2 . . . . . 259 PRO HB3 . 6993 1 114 . 1 1 15 15 PRO HG2 H 1 1.64 0.02 . 1 . . . . . 259 PRO HG . 6993 1 115 . 1 1 15 15 PRO HG3 H 1 1.64 0.02 . 1 . . . . . 259 PRO HG . 6993 1 116 . 1 1 15 15 PRO HD2 H 1 3.69 0.02 . 2 . . . . . 259 PRO HD2 . 6993 1 117 . 1 1 15 15 PRO HD3 H 1 3.63 0.02 . 2 . . . . . 259 PRO HD3 . 6993 1 118 . 1 1 15 15 PRO CB C 13 32.1 0.10 . 1 . . . . . 259 PRO CB . 6993 1 119 . 1 1 15 15 PRO CG C 13 27.4 0.10 . 1 . . . . . 259 PRO CG . 6993 1 120 . 1 1 15 15 PRO CD C 13 50.7 0.10 . 1 . . . . . 259 PRO CD . 6993 1 121 . 1 1 16 16 LEU H H 1 8.35 0.02 . 1 . . . . . 260 LEU HN . 6993 1 122 . 1 1 16 16 LEU HA H 1 4.20 0.02 . 1 . . . . . 260 LEU HA . 6993 1 123 . 1 1 16 16 LEU HB2 H 1 1.54 0.02 . 1 . . . . . 260 LEU HB2 . 6993 1 124 . 1 1 16 16 LEU HB3 H 1 1.54 0.02 . 1 . . . . . 260 LEU HB3 . 6993 1 125 . 1 1 16 16 LEU HG H 1 1.47 0.02 . 1 . . . . . 260 LEU HG . 6993 1 126 . 1 1 16 16 LEU HD11 H 1 0.83 0.02 . 1 . . . . . 260 LEU HD . 6993 1 127 . 1 1 16 16 LEU HD12 H 1 0.83 0.02 . 1 . . . . . 260 LEU HD . 6993 1 128 . 1 1 16 16 LEU HD13 H 1 0.83 0.02 . 1 . . . . . 260 LEU HD . 6993 1 129 . 1 1 16 16 LEU HD21 H 1 0.83 0.02 . 1 . . . . . 260 LEU HD . 6993 1 130 . 1 1 16 16 LEU HD22 H 1 0.83 0.02 . 1 . . . . . 260 LEU HD . 6993 1 131 . 1 1 16 16 LEU HD23 H 1 0.83 0.02 . 1 . . . . . 260 LEU HD . 6993 1 132 . 1 1 16 16 LEU CA C 13 55.16 0.10 . 1 . . . . . 260 LEU CA . 6993 1 133 . 1 1 16 16 LEU CB C 13 42.39 0.10 . 1 . . . . . 260 LEU CB . 6993 1 134 . 1 1 16 16 LEU N N 15 122.1 0.10 . 1 . . . . . 260 LEU N . 6993 1 135 . 1 1 17 17 ASN H H 1 8.43 0.02 . 1 . . . . . 261 ASN HN . 6993 1 136 . 1 1 17 17 ASN HA H 1 4.65 0.02 . 1 . . . . . 261 ASN HA . 6993 1 137 . 1 1 17 17 ASN HB2 H 1 2.63 0.02 . 2 . . . . . 261 ASN HB2 . 6993 1 138 . 1 1 17 17 ASN HB3 H 1 2.73 0.02 . 2 . . . . . 261 ASN HB3 . 6993 1 139 . 1 1 17 17 ASN HD21 H 1 7.62 0.02 . 2 . . . . . 261 ASN HD21 . 6993 1 140 . 1 1 17 17 ASN HD22 H 1 6.88 0.02 . 2 . . . . . 261 ASN HD22 . 6993 1 141 . 1 1 17 17 ASN CA C 13 53.1 0.02 . 1 . . . . . 261 ASN CA . 6993 1 142 . 1 1 17 17 ASN N N 15 120.2 0.10 . 1 . . . . . 261 ASN N . 6993 1 143 . 1 1 17 17 ASN ND2 N 15 113.5 0.10 . 1 . . . . . 261 ASN ND2 . 6993 1 144 . 1 1 18 18 VAL H H 1 8.14 0.02 . 1 . . . . . 262 VAL HN . 6993 1 145 . 1 1 18 18 VAL HA H 1 4.15 0.02 . 1 . . . . . 262 VAL HA . 6993 1 146 . 1 1 18 18 VAL HB H 1 2.06 0.02 . 1 . . . . . 262 VAL HB . 6993 1 147 . 1 1 18 18 VAL HG11 H 1 0.83 0.02 . 2 . . . . . 262 VAL HG1 . 6993 1 148 . 1 1 18 18 VAL HG12 H 1 0.83 0.02 . 2 . . . . . 262 VAL HG1 . 6993 1 149 . 1 1 18 18 VAL HG13 H 1 0.83 0.02 . 2 . . . . . 262 VAL HG1 . 6993 1 150 . 1 1 18 18 VAL HG21 H 1 0.83 0.02 . 2 . . . . . 262 VAL HG2 . 6993 1 151 . 1 1 18 18 VAL HG22 H 1 0.83 0.02 . 2 . . . . . 262 VAL HG2 . 6993 1 152 . 1 1 18 18 VAL HG23 H 1 0.83 0.02 . 2 . . . . . 262 VAL HG2 . 6993 1 153 . 1 1 18 18 VAL CA C 13 62.0 0.10 . 1 . . . . . 262 VAL CA . 6993 1 154 . 1 1 18 18 VAL CB C 13 32.9 0.10 . 1 . . . . . 262 VAL CB . 6993 1 155 . 1 1 18 18 VAL N N 15 119.0 0.10 . 1 . . . . . 262 VAL N . 6993 1 156 . 1 1 19 19 SER H H 1 8.00 0.02 . 1 . . . . . 263 SER HN . 6993 1 157 . 1 1 19 19 SER HA H 1 4.19 0.02 . 1 . . . . . 263 SER HA . 6993 1 158 . 1 1 19 19 SER HB2 H 1 3.76 0.02 . 1 . . . . . 263 SER HB2 . 6993 1 159 . 1 1 19 19 SER HB3 H 1 3.76 0.02 . 1 . . . . . 263 SER HB3 . 6993 1 160 . 1 1 19 19 SER CA C 13 60.0 0.10 . 1 . . . . . 263 SER CA . 6993 1 161 . 1 1 19 19 SER CB C 13 64.7 0.02 . 1 . . . . . 263 SER CB . 6993 1 162 . 2 1 15 15 PRO HA H 1 4.78 0.02 . 1 . . . . . 259 PRO HA . 6993 1 163 . 2 1 15 15 PRO HB2 H 1 3.47 0.02 . 1 . . . . . 259 PRO HB2 . 6993 1 164 . 2 1 15 15 PRO HB3 H 1 2.31 0.02 . 1 . . . . . 259 PRO HB3 . 6993 1 165 . 2 1 15 15 PRO HG2 H 1 2.03 0.02 . 1 . . . . . 259 PRO HG . 6993 1 166 . 2 1 15 15 PRO HG3 H 1 1.87 0.02 . 1 . . . . . 259 PRO HG . 6993 1 167 . 2 1 15 15 PRO HD2 H 1 1.75 0.02 . 1 . . . . . 259 PRO HD2 . 6993 1 168 . 2 1 15 15 PRO HD3 H 1 1.75 0.02 . 1 . . . . . 259 PRO HD3 . 6993 1 stop_ save_