################################### # 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 26983 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 '15N T1 relaxation' . . . 26983 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 $SPARKY . . 26983 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 6 6 ASP H H 1 8.404 0.02 . 1 . . . . 4 D H . 26983 1 2 . 1 1 6 6 ASP N N 15 121.524 0.2 . 1 . . . . 4 D N . 26983 1 3 . 1 1 7 7 TRP H H 1 6.053 0.02 . 1 . . . . 5 W H . 26983 1 4 . 1 1 7 7 TRP N N 15 110.583 0.2 . 1 . . . . 5 W N . 26983 1 5 . 1 1 8 8 ALA H H 1 7.220 0.02 . 1 . . . . 6 A H . 26983 1 6 . 1 1 8 8 ALA N N 15 130.896 0.2 . 1 . . . . 6 A N . 26983 1 7 . 1 1 9 9 ASP H H 1 7.672 0.02 . 1 . . . . 7 D H . 26983 1 8 . 1 1 9 9 ASP N N 15 124.494 0.2 . 1 . . . . 7 D N . 26983 1 9 . 1 1 10 10 GLU H H 1 8.875 0.02 . 1 . . . . 8 E H . 26983 1 10 . 1 1 10 10 GLU N N 15 128.663 0.2 . 1 . . . . 8 E N . 26983 1 11 . 1 1 11 11 ALA H H 1 8.139 0.02 . 1 . . . . 9 A H . 26983 1 12 . 1 1 11 11 ALA N N 15 121.944 0.2 . 1 . . . . 9 A N . 26983 1 13 . 1 1 12 12 ALA H H 1 7.511 0.02 . 1 . . . . 10 A H . 26983 1 14 . 1 1 12 12 ALA N N 15 117.781 0.2 . 1 . . . . 10 A N . 26983 1 15 . 1 1 13 13 ASN H H 1 8.440 0.02 . 1 . . . . 11 N H . 26983 1 16 . 1 1 13 13 ASN N N 15 112.173 0.2 . 1 . . . . 11 N N . 26983 1 17 . 1 1 14 14 GLY H H 1 8.600 0.02 . 1 . . . . 12 G H . 26983 1 18 . 1 1 14 14 GLY N N 15 111.309 0.2 . 1 . . . . 12 G N . 26983 1 19 . 1 1 15 15 ALA H H 1 8.369 0.02 . 1 . . . . 13 A H . 26983 1 20 . 1 1 15 15 ALA N N 15 122.510 0.2 . 1 . . . . 13 A N . 26983 1 21 . 1 1 16 16 HIS H H 1 8.020 0.02 . 1 . . . . 14 H H . 26983 1 22 . 1 1 16 16 HIS N N 15 113.793 0.2 . 1 . . . . 14 H N . 26983 1 23 . 1 1 17 17 GLN H H 1 7.548 0.02 . 1 . . . . 15 Q H . 26983 1 24 . 1 1 17 17 GLN N N 15 119.626 0.2 . 1 . . . . 15 Q N . 26983 1 25 . 1 1 18 18 ASP H H 1 8.217 0.02 . 1 . . . . 16 D H . 26983 1 26 . 1 1 18 18 ASP N N 15 121.031 0.2 . 1 . . . . 16 D N . 26983 1 27 . 1 1 19 19 ALA H H 1 8.260 0.02 . 1 . . . . 17 A H . 26983 1 28 . 1 1 19 19 ALA N N 15 127.430 0.2 . 1 . . . . 17 A N . 26983 1 29 . 1 1 20 20 TRP H H 1 9.105 0.02 . 1 . . . . 18 W H . 26983 1 30 . 1 1 20 20 TRP N N 15 119.069 0.2 . 1 . . . . 18 W N . 26983 1 31 . 1 1 21 21 LYS H H 1 7.253 0.02 . 1 . . . . 19 K H . 26983 1 32 . 1 1 21 21 LYS N N 15 118.912 0.2 . 1 . . . . 19 K N . 26983 1 33 . 1 1 22 22 SER H H 1 7.176 0.02 . 1 . . . . 20 S H . 26983 1 34 . 1 1 22 22 SER N N 15 113.646 0.2 . 1 . . . . 20 S N . 26983 1 35 . 1 1 23 23 LEU H H 1 8.247 0.02 . 1 . . . . 21 L H . 26983 1 36 . 1 1 23 23 LEU N N 15 122.813 0.2 . 1 . . . . 21 L N . 26983 1 37 . 1 1 24 24 LYS H H 1 7.518 0.02 . 1 . . . . 22 K H . 26983 1 38 . 1 1 24 24 LYS N N 15 116.267 0.2 . 1 . . . . 22 K N . 26983 1 39 . 1 1 25 25 ALA H H 1 7.463 0.02 . 1 . . . . 23 A H . 26983 1 40 . 1 1 25 25 ALA N N 15 122.718 0.2 . 1 . . . . 23 A N . 26983 1 41 . 1 1 26 26 ARG H H 1 6.873 0.02 . 1 . . . . 24 R H . 26983 1 42 . 1 1 26 26 ARG N N 15 115.931 0.2 . 1 . . . . 24 R N . 26983 1 43 . 1 1 27 27 VAL H H 1 7.475 0.02 . 1 . . . . 25 V H . 26983 1 44 . 1 1 27 27 VAL N N 15 119.514 0.2 . 1 . . . . 25 V N . 26983 1 45 . 1 1 28 28 GLU H H 1 6.906 0.02 . 1 . . . . 26 E H . 26983 1 46 . 1 1 28 28 GLU N N 15 116.337 0.2 . 1 . . . . 26 E N . 26983 1 47 . 1 1 29 29 ASN H H 1 7.659 0.02 . 1 . . . . 27 N H . 26983 1 48 . 1 1 29 29 ASN N N 15 115.344 0.2 . 1 . . . . 27 N N . 26983 1 49 . 1 1 31 31 TYR H H 1 8.279 0.02 . 1 . . . . 29 Y H . 26983 1 50 . 1 1 31 31 TYR N N 15 124.585 0.2 . 1 . . . . 29 Y N . 26983 1 51 . 1 1 32 32 TYR H H 1 9.047 0.02 . 1 . . . . 30 Y H . 26983 1 52 . 1 1 32 32 TYR N N 15 120.299 0.2 . 1 . . . . 30 Y N . 26983 1 53 . 1 1 33 33 MET H H 1 8.536 0.02 . 1 . . . . 31 M H . 26983 1 54 . 1 1 33 33 MET N N 15 125.013 0.2 . 1 . . . . 31 M N . 26983 1 55 . 1 1 35 35 LYS H H 1 7.398 0.02 . 1 . . . . 33 K H . 26983 1 56 . 1 1 35 35 LYS N N 15 117.348 0.2 . 1 . . . . 33 K N . 26983 1 57 . 1 1 36 36 ALA H H 1 8.479 0.02 . 1 . . . . 34 A H . 26983 1 58 . 1 1 36 36 ALA N N 15 118.295 0.2 . 1 . . . . 34 A N . 26983 1 59 . 1 1 37 37 THR H H 1 8.387 0.02 . 1 . . . . 35 T H . 26983 1 60 . 1 1 37 37 THR N N 15 105.229 0.2 . 1 . . . . 35 T N . 26983 1 61 . 1 1 38 38 TYR H H 1 6.993 0.02 . 1 . . . . 36 Y H . 26983 1 62 . 1 1 38 38 TYR N N 15 116.258 0.2 . 1 . . . . 36 Y N . 26983 1 63 . 1 1 39 39 LYS H H 1 8.898 0.02 . 1 . . . . 37 K H . 26983 1 64 . 1 1 39 39 LYS N N 15 120.841 0.2 . 1 . . . . 37 K N . 26983 1 65 . 1 1 40 40 ASN H H 1 8.212 0.02 . 1 . . . . 38 N H . 26983 1 66 . 1 1 40 40 ASN N N 15 115.280 0.2 . 1 . . . . 38 N N . 26983 1 67 . 1 1 41 41 ASP H H 1 8.637 0.02 . 1 . . . . 39 D H . 26983 1 68 . 1 1 41 41 ASP N N 15 122.313 0.2 . 1 . . . . 39 D N . 26983 1 69 . 1 1 46 46 ASN H H 1 8.842 0.02 . 1 . . . . 44 N H . 26983 1 70 . 1 1 46 46 ASN N N 15 118.163 0.2 . 1 . . . . 44 N N . 26983 1 71 . 1 1 47 47 ASP H H 1 8.541 0.02 . 1 . . . . 45 D H . 26983 1 72 . 1 1 47 47 ASP N N 15 123.353 0.2 . 1 . . . . 45 D N . 26983 1 73 . 1 1 48 48 PHE H H 1 6.878 0.02 . 1 . . . . 46 F H . 26983 1 74 . 1 1 48 48 PHE N N 15 113.134 0.2 . 1 . . . . 46 F N . 26983 1 75 . 1 1 49 49 THR H H 1 9.101 0.02 . 1 . . . . 47 T H . 26983 1 76 . 1 1 49 49 THR N N 15 110.799 0.2 . 1 . . . . 47 T N . 26983 1 77 . 1 1 50 50 CYS H H 1 7.699 0.02 . 1 . . . . 48 C H . 26983 1 78 . 1 1 50 50 CYS N N 15 107.600 0.2 . 1 . . . . 48 C N . 26983 1 79 . 1 1 51 51 VAL H H 1 6.083 0.02 . 1 . . . . 49 V H . 26983 1 80 . 1 1 51 51 VAL N N 15 115.159 0.2 . 1 . . . . 49 V N . 26983 1 81 . 1 1 52 52 GLY H H 1 8.869 0.02 . 1 . . . . 50 G H . 26983 1 82 . 1 1 52 52 GLY N N 15 115.793 0.2 . 1 . . . . 50 G N . 26983 1 83 . 1 1 53 53 VAL H H 1 9.366 0.02 . 1 . . . . 51 V H . 26983 1 84 . 1 1 53 53 VAL N N 15 119.704 0.2 . 1 . . . . 51 V N . 26983 1 85 . 1 1 54 54 MET H H 1 8.090 0.02 . 1 . . . . 52 M H . 26983 1 86 . 1 1 54 54 MET N N 15 123.310 0.2 . 1 . . . . 52 M N . 26983 1 87 . 1 1 55 55 ALA H H 1 8.021 0.02 . 1 . . . . 53 A H . 26983 1 88 . 1 1 55 55 ALA N N 15 125.155 0.2 . 1 . . . . 53 A N . 26983 1 89 . 1 1 56 56 ASN H H 1 8.868 0.02 . 1 . . . . 54 N H . 26983 1 90 . 1 1 56 56 ASN N N 15 116.710 0.2 . 1 . . . . 54 N N . 26983 1 91 . 1 1 57 57 ASP H H 1 8.101 0.02 . 1 . . . . 55 D H . 26983 1 92 . 1 1 57 57 ASP N N 15 116.990 0.2 . 1 . . . . 55 D N . 26983 1 93 . 1 1 58 58 VAL H H 1 8.199 0.02 . 1 . . . . 56 V H . 26983 1 94 . 1 1 58 58 VAL N N 15 119.192 0.2 . 1 . . . . 56 V N . 26983 1 95 . 1 1 59 59 ASN H H 1 9.126 0.02 . 1 . . . . 57 N H . 26983 1 96 . 1 1 59 59 ASN N N 15 126.843 0.2 . 1 . . . . 57 N N . 26983 1 97 . 1 1 60 60 GLU H H 1 9.041 0.02 . 1 . . . . 58 E H . 26983 1 98 . 1 1 60 60 GLU N N 15 124.386 0.2 . 1 . . . . 58 E N . 26983 1 99 . 1 1 61 61 ASP H H 1 8.021 0.02 . 1 . . . . 59 D H . 26983 1 100 . 1 1 61 61 ASP N N 15 118.277 0.2 . 1 . . . . 59 D N . 26983 1 101 . 1 1 62 62 GLU H H 1 7.174 0.02 . 1 . . . . 60 E H . 26983 1 102 . 1 1 62 62 GLU N N 15 116.375 0.2 . 1 . . . . 60 E N . 26983 1 103 . 1 1 63 63 LYS H H 1 7.292 0.02 . 1 . . . . 61 K H . 26983 1 104 . 1 1 63 63 LYS N N 15 115.437 0.2 . 1 . . . . 61 K N . 26983 1 105 . 1 1 64 64 SER H H 1 7.744 0.02 . 1 . . . . 62 S H . 26983 1 106 . 1 1 64 64 SER N N 15 110.578 0.2 . 1 . . . . 62 S N . 26983 1 107 . 1 1 65 65 ILE H H 1 9.005 0.02 . 1 . . . . 63 I H . 26983 1 108 . 1 1 65 65 ILE N N 15 111.630 0.2 . 1 . . . . 63 I N . 26983 1 109 . 1 1 66 66 GLN H H 1 7.953 0.02 . 1 . . . . 64 Q H . 26983 1 110 . 1 1 66 66 GLN N N 15 119.757 0.2 . 1 . . . . 64 Q N . 26983 1 111 . 1 1 67 67 ALA H H 1 9.221 0.02 . 1 . . . . 65 A H . 26983 1 112 . 1 1 67 67 ALA N N 15 129.333 0.2 . 1 . . . . 65 A N . 26983 1 113 . 1 1 68 68 GLU H H 1 8.535 0.02 . 1 . . . . 66 E H . 26983 1 114 . 1 1 68 68 GLU N N 15 121.571 0.2 . 1 . . . . 66 E N . 26983 1 115 . 1 1 69 69 PHE H H 1 9.831 0.02 . 1 . . . . 67 F H . 26983 1 116 . 1 1 69 69 PHE N N 15 124.238 0.2 . 1 . . . . 67 F N . 26983 1 117 . 1 1 70 70 LEU H H 1 8.498 0.02 . 1 . . . . 68 L H . 26983 1 118 . 1 1 70 70 LEU N N 15 121.565 0.2 . 1 . . . . 68 L N . 26983 1 119 . 1 1 71 71 PHE H H 1 7.761 0.02 . 1 . . . . 69 F H . 26983 1 120 . 1 1 71 71 PHE N N 15 112.753 0.2 . 1 . . . . 69 F N . 26983 1 121 . 1 1 72 72 MET H H 1 8.384 0.02 . 1 . . . . 70 M H . 26983 1 122 . 1 1 72 72 MET N N 15 116.545 0.2 . 1 . . . . 70 M N . 26983 1 123 . 1 1 73 73 ASN H H 1 8.594 0.02 . 1 . . . . 71 N H . 26983 1 124 . 1 1 73 73 ASN N N 15 115.399 0.2 . 1 . . . . 71 N N . 26983 1 125 . 1 1 74 74 ASN H H 1 7.798 0.02 . 1 . . . . 72 N H . 26983 1 126 . 1 1 74 74 ASN N N 15 111.501 0.2 . 1 . . . . 72 N N . 26983 1 127 . 1 1 75 75 ALA H H 1 8.767 0.02 . 1 . . . . 73 A H . 26983 1 128 . 1 1 75 75 ALA N N 15 122.594 0.2 . 1 . . . . 73 A N . 26983 1 129 . 1 1 76 76 ASP H H 1 7.640 0.02 . 1 . . . . 74 D H . 26983 1 130 . 1 1 76 76 ASP N N 15 116.814 0.2 . 1 . . . . 74 D N . 26983 1 131 . 1 1 77 77 THR H H 1 8.292 0.02 . 1 . . . . 75 T H . 26983 1 132 . 1 1 77 77 THR N N 15 114.416 0.2 . 1 . . . . 75 T N . 26983 1 133 . 1 1 78 78 ASN H H 1 8.199 0.02 . 1 . . . . 76 N H . 26983 1 134 . 1 1 78 78 ASN N N 15 119.586 0.2 . 1 . . . . 76 N N . 26983 1 135 . 1 1 80 80 GLN H H 1 8.685 0.02 . 1 . . . . 78 Q H . 26983 1 136 . 1 1 80 80 GLN N N 15 125.635 0.2 . 1 . . . . 78 Q N . 26983 1 137 . 1 1 81 81 PHE H H 1 7.734 0.02 . 1 . . . . 79 F H . 26983 1 138 . 1 1 81 81 PHE N N 15 114.699 0.2 . 1 . . . . 79 F N . 26983 1 139 . 1 1 82 82 ALA H H 1 8.791 0.02 . 1 . . . . 80 A H . 26983 1 140 . 1 1 82 82 ALA N N 15 123.784 0.2 . 1 . . . . 80 A N . 26983 1 141 . 1 1 83 83 THR H H 1 8.916 0.02 . 1 . . . . 81 T H . 26983 1 142 . 1 1 83 83 THR N N 15 117.740 0.2 . 1 . . . . 81 T N . 26983 1 143 . 1 1 84 84 GLU H H 1 9.353 0.02 . 1 . . . . 82 E H . 26983 1 144 . 1 1 84 84 GLU N N 15 125.191 0.2 . 1 . . . . 82 E N . 26983 1 145 . 1 1 85 85 LYS H H 1 8.089 0.02 . 1 . . . . 83 K H . 26983 1 146 . 1 1 85 85 LYS N N 15 124.115 0.2 . 1 . . . . 83 K N . 26983 1 147 . 1 1 86 86 VAL H H 1 8.750 0.02 . 1 . . . . 84 V H . 26983 1 148 . 1 1 86 86 VAL N N 15 125.945 0.2 . 1 . . . . 84 V N . 26983 1 149 . 1 1 87 87 THR H H 1 8.573 0.02 . 1 . . . . 85 T H . 26983 1 150 . 1 1 87 87 THR N N 15 122.259 0.2 . 1 . . . . 85 T N . 26983 1 151 . 1 1 88 88 ALA H H 1 8.910 0.02 . 1 . . . . 86 A H . 26983 1 152 . 1 1 88 88 ALA N N 15 129.710 0.2 . 1 . . . . 86 A N . 26983 1 153 . 1 1 90 90 LYS H H 1 8.384 0.02 . 1 . . . . 88 K H . 26983 1 154 . 1 1 90 90 LYS N N 15 118.861 0.2 . 1 . . . . 88 K N . 26983 1 155 . 1 1 91 91 MET H H 1 9.820 0.02 . 1 . . . . 89 M H . 26983 1 156 . 1 1 91 91 MET N N 15 124.624 0.2 . 1 . . . . 89 M N . 26983 1 157 . 1 1 92 92 TYR H H 1 8.870 0.02 . 1 . . . . 90 Y H . 26983 1 158 . 1 1 92 92 TYR N N 15 115.042 0.2 . 1 . . . . 90 Y N . 26983 1 159 . 1 1 93 93 GLY H H 1 8.809 0.02 . 1 . . . . 91 G H . 26983 1 160 . 1 1 93 93 GLY N N 15 105.049 0.2 . 1 . . . . 91 G N . 26983 1 161 . 1 1 94 94 TYR H H 1 7.365 0.02 . 1 . . . . 92 Y H . 26983 1 162 . 1 1 94 94 TYR N N 15 123.425 0.2 . 1 . . . . 92 Y N . 26983 1 163 . 1 1 95 95 ASN H H 1 11.117 0.02 . 1 . . . . 93 N H . 26983 1 164 . 1 1 95 95 ASN N N 15 120.009 0.2 . 1 . . . . 93 N N . 26983 1 165 . 1 1 97 97 GLU H H 1 9.971 0.02 . 1 . . . . 95 E H . 26983 1 166 . 1 1 97 97 GLU N N 15 124.430 0.2 . 1 . . . . 95 E N . 26983 1 167 . 1 1 98 98 ASN H H 1 9.327 0.02 . 1 . . . . 96 N H . 26983 1 168 . 1 1 98 98 ASN N N 15 123.060 0.2 . 1 . . . . 96 N N . 26983 1 169 . 1 1 99 99 ALA H H 1 8.610 0.02 . 1 . . . . 97 A H . 26983 1 170 . 1 1 99 99 ALA N N 15 124.992 0.2 . 1 . . . . 97 A N . 26983 1 171 . 1 1 100 100 PHE H H 1 9.221 0.02 . 1 . . . . 98 F H . 26983 1 172 . 1 1 100 100 PHE N N 15 119.880 0.2 . 1 . . . . 98 F N . 26983 1 173 . 1 1 101 101 ARG H H 1 9.452 0.02 . 1 . . . . 99 R H . 26983 1 174 . 1 1 101 101 ARG N N 15 123.331 0.2 . 1 . . . . 99 R N . 26983 1 175 . 1 1 102 102 TYR H H 1 10.343 0.02 . 1 . . . . 100 Y H . 26983 1 176 . 1 1 102 102 TYR N N 15 131.004 0.2 . 1 . . . . 100 Y N . 26983 1 177 . 1 1 103 103 GLU H H 1 9.462 0.02 . 1 . . . . 101 E H . 26983 1 178 . 1 1 103 103 GLU N N 15 120.902 0.2 . 1 . . . . 101 E N . 26983 1 179 . 1 1 104 104 THR H H 1 8.852 0.02 . 1 . . . . 102 T H . 26983 1 180 . 1 1 104 104 THR N N 15 116.404 0.2 . 1 . . . . 102 T N . 26983 1 181 . 1 1 105 105 GLU H H 1 9.894 0.02 . 1 . . . . 103 E H . 26983 1 182 . 1 1 105 105 GLU N N 15 122.722 0.2 . 1 . . . . 103 E N . 26983 1 183 . 1 1 106 106 ASP H H 1 8.091 0.02 . 1 . . . . 104 D H . 26983 1 184 . 1 1 106 106 ASP N N 15 113.923 0.2 . 1 . . . . 104 D N . 26983 1 185 . 1 1 107 107 GLY H H 1 7.624 0.02 . 1 . . . . 105 G H . 26983 1 186 . 1 1 107 107 GLY N N 15 107.493 0.2 . 1 . . . . 105 G N . 26983 1 187 . 1 1 108 108 GLN H H 1 7.811 0.02 . 1 . . . . 106 Q H . 26983 1 188 . 1 1 108 108 GLN N N 15 120.282 0.2 . 1 . . . . 106 Q N . 26983 1 189 . 1 1 109 109 VAL H H 1 7.459 0.02 . 1 . . . . 107 V H . 26983 1 190 . 1 1 109 109 VAL N N 15 121.614 0.2 . 1 . . . . 107 V N . 26983 1 191 . 1 1 110 110 PHE H H 1 8.599 0.02 . 1 . . . . 108 F H . 26983 1 192 . 1 1 110 110 PHE N N 15 124.282 0.2 . 1 . . . . 108 F N . 26983 1 193 . 1 1 111 111 THR H H 1 8.820 0.02 . 1 . . . . 109 T H . 26983 1 194 . 1 1 111 111 THR N N 15 120.974 0.2 . 1 . . . . 109 T N . 26983 1 195 . 1 1 112 112 ASP H H 1 8.813 0.02 . 1 . . . . 110 D H . 26983 1 196 . 1 1 112 112 ASP N N 15 127.931 0.2 . 1 . . . . 110 D N . 26983 1 197 . 1 1 113 113 VAL H H 1 9.576 0.02 . 1 . . . . 111 V H . 26983 1 198 . 1 1 113 113 VAL N N 15 120.016 0.2 . 1 . . . . 111 V N . 26983 1 199 . 1 1 114 114 ILE H H 1 9.062 0.02 . 1 . . . . 112 I H . 26983 1 200 . 1 1 114 114 ILE N N 15 126.174 0.2 . 1 . . . . 112 I N . 26983 1 201 . 1 1 115 115 ALA H H 1 8.531 0.02 . 1 . . . . 113 A H . 26983 1 202 . 1 1 115 115 ALA N N 15 132.259 0.2 . 1 . . . . 113 A N . 26983 1 203 . 1 1 116 116 TYR H H 1 7.937 0.02 . 1 . . . . 114 Y H . 26983 1 204 . 1 1 116 116 TYR N N 15 118.105 0.2 . 1 . . . . 114 Y N . 26983 1 205 . 1 1 117 117 SER H H 1 8.476 0.02 . 1 . . . . 115 S H . 26983 1 206 . 1 1 117 117 SER N N 15 124.869 0.2 . 1 . . . . 115 S N . 26983 1 207 . 1 1 118 118 ASP H H 1 8.915 0.02 . 1 . . . . 116 D H . 26983 1 208 . 1 1 118 118 ASP N N 15 127.469 0.2 . 1 . . . . 116 D N . 26983 1 209 . 1 1 119 119 ASP H H 1 8.852 0.02 . 1 . . . . 117 D H . 26983 1 210 . 1 1 119 119 ASP N N 15 119.524 0.2 . 1 . . . . 117 D N . 26983 1 211 . 1 1 120 120 ASN H H 1 8.265 0.02 . 1 . . . . 118 N H . 26983 1 212 . 1 1 120 120 ASN N N 15 111.842 0.2 . 1 . . . . 118 N N . 26983 1 213 . 1 1 121 121 CYS H H 1 7.925 0.02 . 1 . . . . 119 C H . 26983 1 214 . 1 1 121 121 CYS N N 15 115.978 0.2 . 1 . . . . 119 C N . 26983 1 215 . 1 1 123 123 VAL H H 1 10.058 0.02 . 1 . . . . 121 V H . 26983 1 216 . 1 1 123 123 VAL N N 15 123.611 0.2 . 1 . . . . 121 V N . 26983 1 217 . 1 1 124 124 ILE H H 1 9.573 0.02 . 1 . . . . 122 I H . 26983 1 218 . 1 1 124 124 ILE N N 15 129.245 0.2 . 1 . . . . 122 I N . 26983 1 219 . 1 1 125 125 TYR H H 1 10.094 0.02 . 1 . . . . 123 Y H . 26983 1 220 . 1 1 125 125 TYR N N 15 128.963 0.2 . 1 . . . . 123 Y N . 26983 1 221 . 1 1 126 126 VAL H H 1 8.825 0.02 . 1 . . . . 124 V H . 26983 1 222 . 1 1 126 126 VAL N N 15 130.965 0.2 . 1 . . . . 124 V N . 26983 1 223 . 1 1 128 128 GLY H H 1 7.468 0.02 . 1 . . . . 126 G H . 26983 1 224 . 1 1 128 128 GLY N N 15 103.441 0.2 . 1 . . . . 126 G N . 26983 1 225 . 1 1 129 129 THR H H 1 8.297 0.02 . 1 . . . . 127 T H . 26983 1 226 . 1 1 129 129 THR N N 15 109.382 0.2 . 1 . . . . 127 T N . 26983 1 227 . 1 1 130 130 ASP H H 1 7.870 0.02 . 1 . . . . 128 D H . 26983 1 228 . 1 1 130 130 ASP N N 15 124.594 0.2 . 1 . . . . 128 D N . 26983 1 229 . 1 1 131 131 GLY H H 1 8.035 0.02 . 1 . . . . 129 G H . 26983 1 230 . 1 1 131 131 GLY N N 15 107.373 0.2 . 1 . . . . 129 G N . 26983 1 231 . 1 1 132 132 ASN H H 1 8.212 0.02 . 1 . . . . 130 N H . 26983 1 232 . 1 1 132 132 ASN N N 15 117.595 0.2 . 1 . . . . 130 N N . 26983 1 233 . 1 1 134 134 GLU H H 1 8.261 0.02 . 1 . . . . 132 E H . 26983 1 234 . 1 1 134 134 GLU N N 15 124.417 0.2 . 1 . . . . 132 E N . 26983 1 235 . 1 1 135 135 GLY H H 1 8.757 0.02 . 1 . . . . 133 G H . 26983 1 236 . 1 1 135 135 GLY N N 15 112.426 0.2 . 1 . . . . 133 G N . 26983 1 237 . 1 1 136 136 TYR H H 1 9.052 0.02 . 1 . . . . 134 Y H . 26983 1 238 . 1 1 136 136 TYR N N 15 115.177 0.2 . 1 . . . . 134 Y N . 26983 1 239 . 1 1 137 137 GLU H H 1 10.069 0.02 . 1 . . . . 135 E H . 26983 1 240 . 1 1 137 137 GLU N N 15 117.278 0.2 . 1 . . . . 135 E N . 26983 1 241 . 1 1 138 138 LEU H H 1 8.423 0.02 . 1 . . . . 136 L H . 26983 1 242 . 1 1 138 138 LEU N N 15 124.512 0.2 . 1 . . . . 136 L N . 26983 1 243 . 1 1 139 139 TRP H H 1 9.900 0.02 . 1 . . . . 137 W H . 26983 1 244 . 1 1 139 139 TRP N N 15 127.228 0.2 . 1 . . . . 137 W N . 26983 1 245 . 1 1 140 140 THR H H 1 9.638 0.02 . 1 . . . . 138 T H . 26983 1 246 . 1 1 140 140 THR N N 15 114.072 0.2 . 1 . . . . 138 T N . 26983 1 247 . 1 1 141 141 THR H H 1 7.314 0.02 . 1 . . . . 139 T H . 26983 1 248 . 1 1 141 141 THR N N 15 113.360 0.2 . 1 . . . . 139 T N . 26983 1 249 . 1 1 142 142 ASP H H 1 7.748 0.02 . 1 . . . . 140 D H . 26983 1 250 . 1 1 142 142 ASP N N 15 122.669 0.2 . 1 . . . . 140 D N . 26983 1 251 . 1 1 143 143 TYR H H 1 6.339 0.02 . 1 . . . . 141 Y H . 26983 1 252 . 1 1 143 143 TYR N N 15 118.483 0.2 . 1 . . . . 141 Y N . 26983 1 253 . 1 1 144 144 ASP H H 1 7.672 0.02 . 1 . . . . 142 D H . 26983 1 254 . 1 1 144 144 ASP N N 15 121.360 0.2 . 1 . . . . 142 D N . 26983 1 255 . 1 1 145 145 ASN H H 1 7.157 0.02 . 1 . . . . 143 N H . 26983 1 256 . 1 1 145 145 ASN N N 15 119.986 0.2 . 1 . . . . 143 N N . 26983 1 257 . 1 1 148 148 ALA H H 1 8.648 0.02 . 1 . . . . 146 A H . 26983 1 258 . 1 1 148 148 ALA N N 15 128.331 0.2 . 1 . . . . 146 A N . 26983 1 259 . 1 1 149 149 ASN H H 1 9.071 0.02 . 1 . . . . 147 N H . 26983 1 260 . 1 1 149 149 ASN N N 15 114.703 0.2 . 1 . . . . 147 N N . 26983 1 261 . 1 1 150 150 CYS H H 1 7.380 0.02 . 1 . . . . 148 C H . 26983 1 262 . 1 1 150 150 CYS N N 15 114.457 0.2 . 1 . . . . 148 C N . 26983 1 263 . 1 1 151 151 LEU H H 1 7.957 0.02 . 1 . . . . 149 L H . 26983 1 264 . 1 1 151 151 LEU N N 15 120.801 0.2 . 1 . . . . 149 L N . 26983 1 265 . 1 1 152 152 ASN H H 1 8.582 0.02 . 1 . . . . 150 N H . 26983 1 266 . 1 1 152 152 ASN N N 15 115.797 0.2 . 1 . . . . 150 N N . 26983 1 267 . 1 1 153 153 LYS H H 1 7.114 0.02 . 1 . . . . 151 K H . 26983 1 268 . 1 1 153 153 LYS N N 15 119.387 0.2 . 1 . . . . 151 K N . 26983 1 269 . 1 1 154 154 PHE H H 1 8.243 0.02 . 1 . . . . 152 F H . 26983 1 270 . 1 1 154 154 PHE N N 15 118.923 0.2 . 1 . . . . 152 F N . 26983 1 271 . 1 1 155 155 ASN H H 1 8.400 0.02 . 1 . . . . 153 N H . 26983 1 272 . 1 1 155 155 ASN N N 15 115.497 0.2 . 1 . . . . 153 N N . 26983 1 273 . 1 1 156 156 GLU H H 1 7.658 0.02 . 1 . . . . 154 E H . 26983 1 274 . 1 1 156 156 GLU N N 15 120.396 0.2 . 1 . . . . 154 E N . 26983 1 275 . 1 1 157 157 TYR H H 1 7.909 0.02 . 1 . . . . 155 Y H . 26983 1 276 . 1 1 157 157 TYR N N 15 117.948 0.2 . 1 . . . . 155 Y N . 26983 1 277 . 1 1 158 158 ALA H H 1 8.059 0.02 . 1 . . . . 156 A H . 26983 1 278 . 1 1 158 158 ALA N N 15 119.999 0.2 . 1 . . . . 156 A N . 26983 1 279 . 1 1 159 159 VAL H H 1 6.404 0.02 . 1 . . . . 157 V H . 26983 1 280 . 1 1 159 159 VAL N N 15 118.481 0.2 . 1 . . . . 157 V N . 26983 1 281 . 1 1 161 161 ARG H H 1 7.765 0.02 . 1 . . . . 159 R H . 26983 1 282 . 1 1 161 161 ARG N N 15 118.874 0.2 . 1 . . . . 159 R N . 26983 1 283 . 1 1 162 162 GLU H H 1 8.850 0.02 . 1 . . . . 160 E H . 26983 1 284 . 1 1 162 162 GLU N N 15 123.321 0.2 . 1 . . . . 160 E N . 26983 1 285 . 1 1 163 163 THR H H 1 8.199 0.02 . 1 . . . . 161 T H . 26983 1 286 . 1 1 163 163 THR N N 15 117.301 0.2 . 1 . . . . 161 T N . 26983 1 287 . 1 1 164 164 ARG H H 1 8.812 0.02 . 1 . . . . 162 R H . 26983 1 288 . 1 1 164 164 ARG N N 15 122.694 0.2 . 1 . . . . 162 R N . 26983 1 289 . 1 1 165 165 ASP H H 1 8.371 0.02 . 1 . . . . 163 D H . 26983 1 290 . 1 1 165 165 ASP N N 15 121.233 0.2 . 1 . . . . 163 D N . 26983 1 291 . 1 1 166 166 VAL H H 1 7.643 0.02 . 1 . . . . 164 V H . 26983 1 292 . 1 1 166 166 VAL N N 15 122.686 0.2 . 1 . . . . 164 V N . 26983 1 293 . 1 1 167 167 PHE H H 1 8.983 0.02 . 1 . . . . 165 F H . 26983 1 294 . 1 1 167 167 PHE N N 15 126.224 0.2 . 1 . . . . 165 F N . 26983 1 295 . 1 1 168 168 THR H H 1 6.527 0.02 . 1 . . . . 166 T H . 26983 1 296 . 1 1 168 168 THR N N 15 117.546 0.2 . 1 . . . . 166 T N . 26983 1 297 . 1 1 169 169 SER H H 1 9.098 0.02 . 1 . . . . 167 S H . 26983 1 298 . 1 1 169 169 SER N N 15 115.390 0.2 . 1 . . . . 167 S N . 26983 1 299 . 1 1 170 170 ALA H H 1 7.420 0.02 . 1 . . . . 168 A H . 26983 1 300 . 1 1 170 170 ALA N N 15 124.219 0.2 . 1 . . . . 168 A N . 26983 1 301 . 1 1 171 171 CYS H H 1 7.531 0.02 . 1 . . . . 169 C H . 26983 1 302 . 1 1 171 171 CYS N N 15 114.165 0.2 . 1 . . . . 169 C N . 26983 1 303 . 1 1 172 172 LEU H H 1 7.121 0.02 . 1 . . . . 170 L H . 26983 1 304 . 1 1 172 172 LEU N N 15 117.593 0.2 . 1 . . . . 170 L N . 26983 1 305 . 1 1 173 173 GLU H H 1 7.288 0.02 . 1 . . . . 171 E H . 26983 1 306 . 1 1 173 173 GLU N N 15 125.421 0.2 . 1 . . . . 171 E N . 26983 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 26983 _Assigned_chem_shift_list.ID 2 _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 0.02 _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 4 'DZ (IZCZ) compensated' . . . 26983 2 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 $SPARKY . . 26983 2 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 8 8 ALA HB1 H 1 0.739 0.02 . 1 . . . . 6 A HB . 26983 2 2 . 1 1 8 8 ALA HB2 H 1 0.739 0.02 . 1 . . . . 6 A HB . 26983 2 3 . 1 1 8 8 ALA HB3 H 1 0.739 0.02 . 1 . . . . 6 A HB . 26983 2 4 . 1 1 8 8 ALA CB C 13 12.520 0.3 . 1 . . . . 6 A CB . 26983 2 5 . 1 1 11 11 ALA HB1 H 1 1.374 0.02 . 1 . . . . 9 A HB . 26983 2 6 . 1 1 11 11 ALA HB2 H 1 1.374 0.02 . 1 . . . . 9 A HB . 26983 2 7 . 1 1 11 11 ALA HB3 H 1 1.374 0.02 . 1 . . . . 9 A HB . 26983 2 8 . 1 1 11 11 ALA CB C 13 15.019 0.3 . 1 . . . . 9 A CB . 26983 2 9 . 1 1 12 12 ALA HB1 H 1 1.262 0.02 . 1 . . . . 10 A HB . 26983 2 10 . 1 1 12 12 ALA HB2 H 1 1.262 0.02 . 1 . . . . 10 A HB . 26983 2 11 . 1 1 12 12 ALA HB3 H 1 1.262 0.02 . 1 . . . . 10 A HB . 26983 2 12 . 1 1 12 12 ALA CB C 13 16.771 0.3 . 1 . . . . 10 A CB . 26983 2 13 . 1 1 15 15 ALA HB1 H 1 1.211 0.02 . 1 . . . . 13 A HB . 26983 2 14 . 1 1 15 15 ALA HB2 H 1 1.211 0.02 . 1 . . . . 13 A HB . 26983 2 15 . 1 1 15 15 ALA HB3 H 1 1.211 0.02 . 1 . . . . 13 A HB . 26983 2 16 . 1 1 15 15 ALA CB C 13 15.216 0.3 . 1 . . . . 13 A CB . 26983 2 17 . 1 1 19 19 ALA HB1 H 1 1.235 0.02 . 1 . . . . 17 A HB . 26983 2 18 . 1 1 19 19 ALA HB2 H 1 1.235 0.02 . 1 . . . . 17 A HB . 26983 2 19 . 1 1 19 19 ALA HB3 H 1 1.235 0.02 . 1 . . . . 17 A HB . 26983 2 20 . 1 1 19 19 ALA CB C 13 17.527 0.3 . 1 . . . . 17 A CB . 26983 2 21 . 1 1 23 23 LEU HD11 H 1 0.138 0.02 . 1 . . . . 21 L HD1 . 26983 2 22 . 1 1 23 23 LEU HD12 H 1 0.138 0.02 . 1 . . . . 21 L HD1 . 26983 2 23 . 1 1 23 23 LEU HD13 H 1 0.138 0.02 . 1 . . . . 21 L HD1 . 26983 2 24 . 1 1 23 23 LEU HD21 H 1 -0.298 0.02 . 1 . . . . 21 L HD2 . 26983 2 25 . 1 1 23 23 LEU HD22 H 1 -0.298 0.02 . 1 . . . . 21 L HD2 . 26983 2 26 . 1 1 23 23 LEU HD23 H 1 -0.298 0.02 . 1 . . . . 21 L HD2 . 26983 2 27 . 1 1 23 23 LEU CD1 C 13 20.619 0.3 . 1 . . . . 21 L CD1 . 26983 2 28 . 1 1 23 23 LEU CD2 C 13 19.252 0.3 . 1 . . . . 21 L CD2 . 26983 2 29 . 1 1 25 25 ALA HB1 H 1 1.564 0.02 . 1 . . . . 23 A HB . 26983 2 30 . 1 1 25 25 ALA HB2 H 1 1.564 0.02 . 1 . . . . 23 A HB . 26983 2 31 . 1 1 25 25 ALA HB3 H 1 1.564 0.02 . 1 . . . . 23 A HB . 26983 2 32 . 1 1 25 25 ALA CB C 13 15.593 0.3 . 1 . . . . 23 A CB . 26983 2 33 . 1 1 27 27 VAL HG11 H 1 0.642 0.02 . 1 . . . . 25 V HG1 . 26983 2 34 . 1 1 27 27 VAL HG12 H 1 0.642 0.02 . 1 . . . . 25 V HG1 . 26983 2 35 . 1 1 27 27 VAL HG13 H 1 0.642 0.02 . 1 . . . . 25 V HG1 . 26983 2 36 . 1 1 27 27 VAL HG21 H 1 0.795 0.02 . 1 . . . . 25 V HG2 . 26983 2 37 . 1 1 27 27 VAL HG22 H 1 0.795 0.02 . 1 . . . . 25 V HG2 . 26983 2 38 . 1 1 27 27 VAL HG23 H 1 0.795 0.02 . 1 . . . . 25 V HG2 . 26983 2 39 . 1 1 27 27 VAL CG1 C 13 19.788 0.3 . 1 . . . . 25 V CG1 . 26983 2 40 . 1 1 27 27 VAL CG2 C 13 18.224 0.3 . 1 . . . . 25 V CG2 . 26983 2 41 . 1 1 30 30 VAL HG21 H 1 -0.035 0.02 . 1 . . . . 28 V HG2 . 26983 2 42 . 1 1 30 30 VAL HG22 H 1 -0.035 0.02 . 1 . . . . 28 V HG2 . 26983 2 43 . 1 1 30 30 VAL HG23 H 1 -0.035 0.02 . 1 . . . . 28 V HG2 . 26983 2 44 . 1 1 30 30 VAL CG2 C 13 17.855 0.3 . 1 . . . . 28 V CG2 . 26983 2 45 . 1 1 33 33 MET HE1 H 1 1.544 0.02 . 1 . . . . 31 M HE . 26983 2 46 . 1 1 33 33 MET HE2 H 1 1.544 0.02 . 1 . . . . 31 M HE . 26983 2 47 . 1 1 33 33 MET HE3 H 1 1.544 0.02 . 1 . . . . 31 M HE . 26983 2 48 . 1 1 33 33 MET CE C 13 13.540 0.3 . 1 . . . . 31 M CE . 26983 2 49 . 1 1 34 34 VAL HG11 H 1 1.055 0.02 . 1 . . . . 32 V HG1 . 26983 2 50 . 1 1 34 34 VAL HG12 H 1 1.055 0.02 . 1 . . . . 32 V HG1 . 26983 2 51 . 1 1 34 34 VAL HG13 H 1 1.055 0.02 . 1 . . . . 32 V HG1 . 26983 2 52 . 1 1 34 34 VAL HG21 H 1 0.878 0.02 . 1 . . . . 32 V HG2 . 26983 2 53 . 1 1 34 34 VAL HG22 H 1 0.878 0.02 . 1 . . . . 32 V HG2 . 26983 2 54 . 1 1 34 34 VAL HG23 H 1 0.878 0.02 . 1 . . . . 32 V HG2 . 26983 2 55 . 1 1 34 34 VAL CG1 C 13 20.252 0.3 . 1 . . . . 32 V CG1 . 26983 2 56 . 1 1 34 34 VAL CG2 C 13 17.475 0.3 . 1 . . . . 32 V CG2 . 26983 2 57 . 1 1 36 36 ALA HB1 H 1 1.397 0.02 . 1 . . . . 34 A HB . 26983 2 58 . 1 1 36 36 ALA HB2 H 1 1.397 0.02 . 1 . . . . 34 A HB . 26983 2 59 . 1 1 36 36 ALA HB3 H 1 1.397 0.02 . 1 . . . . 34 A HB . 26983 2 60 . 1 1 36 36 ALA CB C 13 20.621 0.3 . 1 . . . . 34 A CB . 26983 2 61 . 1 1 37 37 THR HG21 H 1 1.287 0.02 . 1 . . . . 35 T HG2 . 26983 2 62 . 1 1 37 37 THR HG22 H 1 1.287 0.02 . 1 . . . . 35 T HG2 . 26983 2 63 . 1 1 37 37 THR HG23 H 1 1.287 0.02 . 1 . . . . 35 T HG2 . 26983 2 64 . 1 1 37 37 THR CG2 C 13 19.515 0.3 . 1 . . . . 35 T CG2 . 26983 2 65 . 1 1 49 49 THR HG21 H 1 0.990 0.02 . 1 . . . . 47 T HG2 . 26983 2 66 . 1 1 49 49 THR HG22 H 1 0.990 0.02 . 1 . . . . 47 T HG2 . 26983 2 67 . 1 1 49 49 THR HG23 H 1 0.990 0.02 . 1 . . . . 47 T HG2 . 26983 2 68 . 1 1 49 49 THR CG2 C 13 19.713 0.3 . 1 . . . . 47 T CG2 . 26983 2 69 . 1 1 51 51 VAL HG11 H 1 0.247 0.02 . 1 . . . . 49 V HG1 . 26983 2 70 . 1 1 51 51 VAL HG12 H 1 0.247 0.02 . 1 . . . . 49 V HG1 . 26983 2 71 . 1 1 51 51 VAL HG13 H 1 0.247 0.02 . 1 . . . . 49 V HG1 . 26983 2 72 . 1 1 51 51 VAL HG21 H 1 0.145 0.02 . 1 . . . . 49 V HG2 . 26983 2 73 . 1 1 51 51 VAL HG22 H 1 0.145 0.02 . 1 . . . . 49 V HG2 . 26983 2 74 . 1 1 51 51 VAL HG23 H 1 0.145 0.02 . 1 . . . . 49 V HG2 . 26983 2 75 . 1 1 51 51 VAL CG1 C 13 18.576 0.3 . 1 . . . . 49 V CG1 . 26983 2 76 . 1 1 51 51 VAL CG2 C 13 18.248 0.3 . 1 . . . . 49 V CG2 . 26983 2 77 . 1 1 53 53 VAL HG11 H 1 0.640 0.02 . 1 . . . . 51 V HG1 . 26983 2 78 . 1 1 53 53 VAL HG12 H 1 0.640 0.02 . 1 . . . . 51 V HG1 . 26983 2 79 . 1 1 53 53 VAL HG13 H 1 0.640 0.02 . 1 . . . . 51 V HG1 . 26983 2 80 . 1 1 53 53 VAL HG21 H 1 -0.167 0.02 . 1 . . . . 51 V HG2 . 26983 2 81 . 1 1 53 53 VAL HG22 H 1 -0.167 0.02 . 1 . . . . 51 V HG2 . 26983 2 82 . 1 1 53 53 VAL HG23 H 1 -0.167 0.02 . 1 . . . . 51 V HG2 . 26983 2 83 . 1 1 53 53 VAL CG1 C 13 18.293 0.3 . 1 . . . . 51 V CG1 . 26983 2 84 . 1 1 53 53 VAL CG2 C 13 19.920 0.3 . 1 . . . . 51 V CG2 . 26983 2 85 . 1 1 54 54 MET HE1 H 1 1.929 0.02 . 1 . . . . 52 M HE . 26983 2 86 . 1 1 54 54 MET HE2 H 1 1.929 0.02 . 1 . . . . 52 M HE . 26983 2 87 . 1 1 54 54 MET HE3 H 1 1.929 0.02 . 1 . . . . 52 M HE . 26983 2 88 . 1 1 54 54 MET CE C 13 14.348 0.3 . 1 . . . . 52 M CE . 26983 2 89 . 1 1 55 55 ALA HB1 H 1 0.935 0.02 . 1 . . . . 53 A HB . 26983 2 90 . 1 1 55 55 ALA HB2 H 1 0.935 0.02 . 1 . . . . 53 A HB . 26983 2 91 . 1 1 55 55 ALA HB3 H 1 0.935 0.02 . 1 . . . . 53 A HB . 26983 2 92 . 1 1 55 55 ALA CB C 13 21.024 0.3 . 1 . . . . 53 A CB . 26983 2 93 . 1 1 58 58 VAL HG11 H 1 0.957 0.02 . 1 . . . . 56 V HG1 . 26983 2 94 . 1 1 58 58 VAL HG12 H 1 0.957 0.02 . 1 . . . . 56 V HG1 . 26983 2 95 . 1 1 58 58 VAL HG13 H 1 0.957 0.02 . 1 . . . . 56 V HG1 . 26983 2 96 . 1 1 58 58 VAL HG21 H 1 0.904 0.02 . 1 . . . . 56 V HG2 . 26983 2 97 . 1 1 58 58 VAL HG22 H 1 0.904 0.02 . 1 . . . . 56 V HG2 . 26983 2 98 . 1 1 58 58 VAL HG23 H 1 0.904 0.02 . 1 . . . . 56 V HG2 . 26983 2 99 . 1 1 58 58 VAL CG1 C 13 17.863 0.3 . 1 . . . . 56 V CG1 . 26983 2 100 . 1 1 58 58 VAL CG2 C 13 20.020 0.3 . 1 . . . . 56 V CG2 . 26983 2 101 . 1 1 65 65 ILE HG21 H 1 0.653 0.02 . 1 . . . . 63 I HG2 . 26983 2 102 . 1 1 65 65 ILE HG22 H 1 0.653 0.02 . 1 . . . . 63 I HG2 . 26983 2 103 . 1 1 65 65 ILE HG23 H 1 0.653 0.02 . 1 . . . . 63 I HG2 . 26983 2 104 . 1 1 65 65 ILE HD11 H 1 0.319 0.02 . 1 . . . . 63 I HD1 . 26983 2 105 . 1 1 65 65 ILE HD12 H 1 0.319 0.02 . 1 . . . . 63 I HD1 . 26983 2 106 . 1 1 65 65 ILE HD13 H 1 0.319 0.02 . 1 . . . . 63 I HD1 . 26983 2 107 . 1 1 65 65 ILE CG2 C 13 15.795 0.3 . 1 . . . . 63 I CG2 . 26983 2 108 . 1 1 65 65 ILE CD1 C 13 11.564 0.3 . 1 . . . . 63 I CD1 . 26983 2 109 . 1 1 70 70 LEU HD11 H 1 0.496 0.02 . 1 . . . . 68 L HD1 . 26983 2 110 . 1 1 70 70 LEU HD12 H 1 0.496 0.02 . 1 . . . . 68 L HD1 . 26983 2 111 . 1 1 70 70 LEU HD13 H 1 0.496 0.02 . 1 . . . . 68 L HD1 . 26983 2 112 . 1 1 70 70 LEU HD21 H 1 0.470 0.02 . 1 . . . . 68 L HD2 . 26983 2 113 . 1 1 70 70 LEU HD22 H 1 0.470 0.02 . 1 . . . . 68 L HD2 . 26983 2 114 . 1 1 70 70 LEU HD23 H 1 0.470 0.02 . 1 . . . . 68 L HD2 . 26983 2 115 . 1 1 70 70 LEU CD1 C 13 22.085 0.3 . 1 . . . . 68 L CD1 . 26983 2 116 . 1 1 70 70 LEU CD2 C 13 21.882 0.3 . 1 . . . . 68 L CD2 . 26983 2 117 . 1 1 72 72 MET HE1 H 1 2.010 0.02 . 1 . . . . 70 M HE . 26983 2 118 . 1 1 72 72 MET HE2 H 1 2.010 0.02 . 1 . . . . 70 M HE . 26983 2 119 . 1 1 72 72 MET HE3 H 1 2.010 0.02 . 1 . . . . 70 M HE . 26983 2 120 . 1 1 72 72 MET CE C 13 14.136 0.3 . 1 . . . . 70 M CE . 26983 2 121 . 1 1 75 75 ALA HB1 H 1 1.449 0.02 . 1 . . . . 73 A HB . 26983 2 122 . 1 1 75 75 ALA HB2 H 1 1.449 0.02 . 1 . . . . 73 A HB . 26983 2 123 . 1 1 75 75 ALA HB3 H 1 1.449 0.02 . 1 . . . . 73 A HB . 26983 2 124 . 1 1 75 75 ALA CB C 13 16.634 0.3 . 1 . . . . 73 A CB . 26983 2 125 . 1 1 77 77 THR HG21 H 1 1.122 0.02 . 1 . . . . 75 T HG2 . 26983 2 126 . 1 1 77 77 THR HG22 H 1 1.122 0.02 . 1 . . . . 75 T HG2 . 26983 2 127 . 1 1 77 77 THR HG23 H 1 1.122 0.02 . 1 . . . . 75 T HG2 . 26983 2 128 . 1 1 77 77 THR CG2 C 13 18.913 0.3 . 1 . . . . 75 T CG2 . 26983 2 129 . 1 1 82 82 ALA HB1 H 1 1.714 0.02 . 1 . . . . 80 A HB . 26983 2 130 . 1 1 82 82 ALA HB2 H 1 1.714 0.02 . 1 . . . . 80 A HB . 26983 2 131 . 1 1 82 82 ALA HB3 H 1 1.714 0.02 . 1 . . . . 80 A HB . 26983 2 132 . 1 1 82 82 ALA CB C 13 20.725 0.3 . 1 . . . . 80 A CB . 26983 2 133 . 1 1 83 83 THR HG21 H 1 1.209 0.02 . 1 . . . . 81 T HG2 . 26983 2 134 . 1 1 83 83 THR HG22 H 1 1.209 0.02 . 1 . . . . 81 T HG2 . 26983 2 135 . 1 1 83 83 THR HG23 H 1 1.209 0.02 . 1 . . . . 81 T HG2 . 26983 2 136 . 1 1 83 83 THR CG2 C 13 18.090 0.3 . 1 . . . . 81 T CG2 . 26983 2 137 . 1 1 86 86 VAL HG11 H 1 0.700 0.02 . 1 . . . . 84 V HG1 . 26983 2 138 . 1 1 86 86 VAL HG12 H 1 0.700 0.02 . 1 . . . . 84 V HG1 . 26983 2 139 . 1 1 86 86 VAL HG13 H 1 0.700 0.02 . 1 . . . . 84 V HG1 . 26983 2 140 . 1 1 86 86 VAL HG21 H 1 -0.159 0.02 . 1 . . . . 84 V HG2 . 26983 2 141 . 1 1 86 86 VAL HG22 H 1 -0.159 0.02 . 1 . . . . 84 V HG2 . 26983 2 142 . 1 1 86 86 VAL HG23 H 1 -0.159 0.02 . 1 . . . . 84 V HG2 . 26983 2 143 . 1 1 86 86 VAL CG1 C 13 19.152 0.3 . 1 . . . . 84 V CG1 . 26983 2 144 . 1 1 86 86 VAL CG2 C 13 20.201 0.3 . 1 . . . . 84 V CG2 . 26983 2 145 . 1 1 87 87 THR HG21 H 1 1.050 0.02 . 1 . . . . 85 T HG2 . 26983 2 146 . 1 1 87 87 THR HG22 H 1 1.050 0.02 . 1 . . . . 85 T HG2 . 26983 2 147 . 1 1 87 87 THR HG23 H 1 1.050 0.02 . 1 . . . . 85 T HG2 . 26983 2 148 . 1 1 87 87 THR CG2 C 13 18.151 0.3 . 1 . . . . 85 T CG2 . 26983 2 149 . 1 1 88 88 ALA HB1 H 1 1.369 0.02 . 1 . . . . 86 A HB . 26983 2 150 . 1 1 88 88 ALA HB2 H 1 1.369 0.02 . 1 . . . . 86 A HB . 26983 2 151 . 1 1 88 88 ALA HB3 H 1 1.369 0.02 . 1 . . . . 86 A HB . 26983 2 152 . 1 1 88 88 ALA CB C 13 15.022 0.3 . 1 . . . . 86 A CB . 26983 2 153 . 1 1 89 89 VAL HG21 H 1 0.489 0.02 . 1 . . . . 87 V HG2 . 26983 2 154 . 1 1 89 89 VAL HG22 H 1 0.489 0.02 . 1 . . . . 87 V HG2 . 26983 2 155 . 1 1 89 89 VAL HG23 H 1 0.489 0.02 . 1 . . . . 87 V HG2 . 26983 2 156 . 1 1 89 89 VAL CG2 C 13 16.192 0.3 . 1 . . . . 87 V CG2 . 26983 2 157 . 1 1 91 91 MET HE1 H 1 1.867 0.02 . 1 . . . . 89 M HE . 26983 2 158 . 1 1 91 91 MET HE2 H 1 1.867 0.02 . 1 . . . . 89 M HE . 26983 2 159 . 1 1 91 91 MET HE3 H 1 1.867 0.02 . 1 . . . . 89 M HE . 26983 2 160 . 1 1 91 91 MET CE C 13 14.436 0.3 . 1 . . . . 89 M CE . 26983 2 161 . 1 1 99 99 ALA HB1 H 1 0.975 0.02 . 1 . . . . 97 A HB . 26983 2 162 . 1 1 99 99 ALA HB2 H 1 0.975 0.02 . 1 . . . . 97 A HB . 26983 2 163 . 1 1 99 99 ALA HB3 H 1 0.975 0.02 . 1 . . . . 97 A HB . 26983 2 164 . 1 1 99 99 ALA CB C 13 20.936 0.3 . 1 . . . . 97 A CB . 26983 2 165 . 1 1 109 109 VAL HG21 H 1 0.613 0.02 . 1 . . . . 107 V HG2 . 26983 2 166 . 1 1 109 109 VAL HG22 H 1 0.613 0.02 . 1 . . . . 107 V HG2 . 26983 2 167 . 1 1 109 109 VAL HG23 H 1 0.613 0.02 . 1 . . . . 107 V HG2 . 26983 2 168 . 1 1 109 109 VAL CG2 C 13 18.220 0.3 . 1 . . . . 107 V CG2 . 26983 2 169 . 1 1 111 111 THR HG21 H 1 0.837 0.02 . 1 . . . . 109 T HG2 . 26983 2 170 . 1 1 111 111 THR HG22 H 1 0.837 0.02 . 1 . . . . 109 T HG2 . 26983 2 171 . 1 1 111 111 THR HG23 H 1 0.837 0.02 . 1 . . . . 109 T HG2 . 26983 2 172 . 1 1 111 111 THR CG2 C 13 18.589 0.3 . 1 . . . . 109 T CG2 . 26983 2 173 . 1 1 113 113 VAL HG21 H 1 0.819 0.02 . 1 . . . . 111 V HG2 . 26983 2 174 . 1 1 113 113 VAL HG22 H 1 0.819 0.02 . 1 . . . . 111 V HG2 . 26983 2 175 . 1 1 113 113 VAL HG23 H 1 0.819 0.02 . 1 . . . . 111 V HG2 . 26983 2 176 . 1 1 113 113 VAL CG2 C 13 18.417 0.3 . 1 . . . . 111 V CG2 . 26983 2 177 . 1 1 114 114 ILE HG21 H 1 0.570 0.02 . 1 . . . . 112 I HG2 . 26983 2 178 . 1 1 114 114 ILE HG22 H 1 0.570 0.02 . 1 . . . . 112 I HG2 . 26983 2 179 . 1 1 114 114 ILE HG23 H 1 0.570 0.02 . 1 . . . . 112 I HG2 . 26983 2 180 . 1 1 114 114 ILE HD11 H 1 -0.086 0.02 . 1 . . . . 112 I HD1 . 26983 2 181 . 1 1 114 114 ILE HD12 H 1 -0.086 0.02 . 1 . . . . 112 I HD1 . 26983 2 182 . 1 1 114 114 ILE HD13 H 1 -0.086 0.02 . 1 . . . . 112 I HD1 . 26983 2 183 . 1 1 114 114 ILE CG2 C 13 16.500 0.3 . 1 . . . . 112 I CG2 . 26983 2 184 . 1 1 114 114 ILE CD1 C 13 6.720 0.3 . 1 . . . . 112 I CD1 . 26983 2 185 . 1 1 115 115 ALA HB1 H 1 0.022 0.02 . 1 . . . . 113 A HB . 26983 2 186 . 1 1 115 115 ALA HB2 H 1 0.022 0.02 . 1 . . . . 113 A HB . 26983 2 187 . 1 1 115 115 ALA HB3 H 1 0.022 0.02 . 1 . . . . 113 A HB . 26983 2 188 . 1 1 115 115 ALA CB C 13 14.964 0.3 . 1 . . . . 113 A CB . 26983 2 189 . 1 1 123 123 VAL HG11 H 1 1.220 0.02 . 1 . . . . 121 V HG1 . 26983 2 190 . 1 1 123 123 VAL HG12 H 1 1.220 0.02 . 1 . . . . 121 V HG1 . 26983 2 191 . 1 1 123 123 VAL HG13 H 1 1.220 0.02 . 1 . . . . 121 V HG1 . 26983 2 192 . 1 1 123 123 VAL HG21 H 1 1.220 0.02 . 1 . . . . 121 V HG2 . 26983 2 193 . 1 1 123 123 VAL HG22 H 1 1.220 0.02 . 1 . . . . 121 V HG2 . 26983 2 194 . 1 1 123 123 VAL HG23 H 1 1.220 0.02 . 1 . . . . 121 V HG2 . 26983 2 195 . 1 1 123 123 VAL CG1 C 13 19.845 0.3 . 1 . . . . 121 V CG1 . 26983 2 196 . 1 1 123 123 VAL CG2 C 13 18.899 0.3 . 1 . . . . 121 V CG2 . 26983 2 197 . 1 1 124 124 ILE HG21 H 1 0.944 0.02 . 1 . . . . 122 I HG2 . 26983 2 198 . 1 1 124 124 ILE HG22 H 1 0.944 0.02 . 1 . . . . 122 I HG2 . 26983 2 199 . 1 1 124 124 ILE HG23 H 1 0.944 0.02 . 1 . . . . 122 I HG2 . 26983 2 200 . 1 1 124 124 ILE HD11 H 1 0.331 0.02 . 1 . . . . 122 I HD1 . 26983 2 201 . 1 1 124 124 ILE HD12 H 1 0.331 0.02 . 1 . . . . 122 I HD1 . 26983 2 202 . 1 1 124 124 ILE HD13 H 1 0.331 0.02 . 1 . . . . 122 I HD1 . 26983 2 203 . 1 1 124 124 ILE CG2 C 13 15.770 0.3 . 1 . . . . 122 I CG2 . 26983 2 204 . 1 1 124 124 ILE CD1 C 13 9.876 0.3 . 1 . . . . 122 I CD1 . 26983 2 205 . 1 1 126 126 VAL HG11 H 1 0.640 0.02 . 1 . . . . 124 V HG1 . 26983 2 206 . 1 1 126 126 VAL HG12 H 1 0.640 0.02 . 1 . . . . 124 V HG1 . 26983 2 207 . 1 1 126 126 VAL HG13 H 1 0.640 0.02 . 1 . . . . 124 V HG1 . 26983 2 208 . 1 1 126 126 VAL HG21 H 1 0.616 0.02 . 1 . . . . 124 V HG2 . 26983 2 209 . 1 1 126 126 VAL HG22 H 1 0.616 0.02 . 1 . . . . 124 V HG2 . 26983 2 210 . 1 1 126 126 VAL HG23 H 1 0.616 0.02 . 1 . . . . 124 V HG2 . 26983 2 211 . 1 1 126 126 VAL CG1 C 13 18.543 0.3 . 1 . . . . 124 V CG1 . 26983 2 212 . 1 1 126 126 VAL CG2 C 13 18.490 0.3 . 1 . . . . 124 V CG2 . 26983 2 213 . 1 1 129 129 THR HG21 H 1 0.979 0.02 . 1 . . . . 127 T HG2 . 26983 2 214 . 1 1 129 129 THR HG22 H 1 0.979 0.02 . 1 . . . . 127 T HG2 . 26983 2 215 . 1 1 129 129 THR HG23 H 1 0.979 0.02 . 1 . . . . 127 T HG2 . 26983 2 216 . 1 1 129 129 THR CG2 C 13 18.080 0.3 . 1 . . . . 127 T CG2 . 26983 2 217 . 1 1 138 138 LEU HD11 H 1 0.517 0.02 . 1 . . . . 136 L HD1 . 26983 2 218 . 1 1 138 138 LEU HD12 H 1 0.517 0.02 . 1 . . . . 136 L HD1 . 26983 2 219 . 1 1 138 138 LEU HD13 H 1 0.517 0.02 . 1 . . . . 136 L HD1 . 26983 2 220 . 1 1 138 138 LEU HD21 H 1 0.675 0.02 . 1 . . . . 136 L HD2 . 26983 2 221 . 1 1 138 138 LEU HD22 H 1 0.675 0.02 . 1 . . . . 136 L HD2 . 26983 2 222 . 1 1 138 138 LEU HD23 H 1 0.675 0.02 . 1 . . . . 136 L HD2 . 26983 2 223 . 1 1 138 138 LEU CD1 C 13 22.944 0.3 . 1 . . . . 136 L CD1 . 26983 2 224 . 1 1 138 138 LEU CD2 C 13 22.755 0.3 . 1 . . . . 136 L CD2 . 26983 2 225 . 1 1 146 146 ILE HG21 H 1 0.801 0.02 . 1 . . . . 144 I HG2 . 26983 2 226 . 1 1 146 146 ILE HG22 H 1 0.801 0.02 . 1 . . . . 144 I HG2 . 26983 2 227 . 1 1 146 146 ILE HG23 H 1 0.801 0.02 . 1 . . . . 144 I HG2 . 26983 2 228 . 1 1 146 146 ILE HD11 H 1 0.771 0.02 . 1 . . . . 144 I HD1 . 26983 2 229 . 1 1 146 146 ILE HD12 H 1 0.771 0.02 . 1 . . . . 144 I HD1 . 26983 2 230 . 1 1 146 146 ILE HD13 H 1 0.771 0.02 . 1 . . . . 144 I HD1 . 26983 2 231 . 1 1 146 146 ILE CG2 C 13 15.567 0.3 . 1 . . . . 144 I CG2 . 26983 2 232 . 1 1 146 146 ILE CD1 C 13 10.917 0.3 . 1 . . . . 144 I CD1 . 26983 2 233 . 1 1 148 148 ALA HB1 H 1 1.343 0.02 . 1 . . . . 146 A HB . 26983 2 234 . 1 1 148 148 ALA HB2 H 1 1.343 0.02 . 1 . . . . 146 A HB . 26983 2 235 . 1 1 148 148 ALA HB3 H 1 1.343 0.02 . 1 . . . . 146 A HB . 26983 2 236 . 1 1 148 148 ALA CB C 13 15.795 0.3 . 1 . . . . 146 A CB . 26983 2 237 . 1 1 151 151 LEU HD11 H 1 0.766 0.02 . 1 . . . . 149 L HD1 . 26983 2 238 . 1 1 151 151 LEU HD12 H 1 0.766 0.02 . 1 . . . . 149 L HD1 . 26983 2 239 . 1 1 151 151 LEU HD13 H 1 0.766 0.02 . 1 . . . . 149 L HD1 . 26983 2 240 . 1 1 151 151 LEU HD21 H 1 0.725 0.02 . 1 . . . . 149 L HD2 . 26983 2 241 . 1 1 151 151 LEU HD22 H 1 0.725 0.02 . 1 . . . . 149 L HD2 . 26983 2 242 . 1 1 151 151 LEU HD23 H 1 0.725 0.02 . 1 . . . . 149 L HD2 . 26983 2 243 . 1 1 151 151 LEU CD1 C 13 22.711 0.3 . 1 . . . . 149 L CD1 . 26983 2 244 . 1 1 151 151 LEU CD2 C 13 20.283 0.3 . 1 . . . . 149 L CD2 . 26983 2 245 . 1 1 158 158 ALA HB1 H 1 0.472 0.02 . 1 . . . . 156 A HB . 26983 2 246 . 1 1 158 158 ALA HB2 H 1 0.472 0.02 . 1 . . . . 156 A HB . 26983 2 247 . 1 1 158 158 ALA HB3 H 1 0.472 0.02 . 1 . . . . 156 A HB . 26983 2 248 . 1 1 158 158 ALA CB C 13 14.258 0.3 . 1 . . . . 156 A CB . 26983 2 249 . 1 1 159 159 VAL HG11 H 1 0.986 0.02 . 1 . . . . 157 V HG1 . 26983 2 250 . 1 1 159 159 VAL HG12 H 1 0.986 0.02 . 1 . . . . 157 V HG1 . 26983 2 251 . 1 1 159 159 VAL HG13 H 1 0.986 0.02 . 1 . . . . 157 V HG1 . 26983 2 252 . 1 1 159 159 VAL HG21 H 1 0.920 0.02 . 1 . . . . 157 V HG2 . 26983 2 253 . 1 1 159 159 VAL HG22 H 1 0.920 0.02 . 1 . . . . 157 V HG2 . 26983 2 254 . 1 1 159 159 VAL HG23 H 1 0.920 0.02 . 1 . . . . 157 V HG2 . 26983 2 255 . 1 1 159 159 VAL CG1 C 13 18.320 0.3 . 1 . . . . 157 V CG1 . 26983 2 256 . 1 1 159 159 VAL CG2 C 13 16.617 0.3 . 1 . . . . 157 V CG2 . 26983 2 257 . 1 1 166 166 VAL HG11 H 1 1.046 0.02 . 1 . . . . 164 V HG1 . 26983 2 258 . 1 1 166 166 VAL HG12 H 1 1.046 0.02 . 1 . . . . 164 V HG1 . 26983 2 259 . 1 1 166 166 VAL HG13 H 1 1.046 0.02 . 1 . . . . 164 V HG1 . 26983 2 260 . 1 1 166 166 VAL HG21 H 1 0.456 0.02 . 1 . . . . 164 V HG2 . 26983 2 261 . 1 1 166 166 VAL HG22 H 1 0.456 0.02 . 1 . . . . 164 V HG2 . 26983 2 262 . 1 1 166 166 VAL HG23 H 1 0.456 0.02 . 1 . . . . 164 V HG2 . 26983 2 263 . 1 1 166 166 VAL CG1 C 13 19.111 0.3 . 1 . . . . 164 V CG1 . 26983 2 264 . 1 1 166 166 VAL CG2 C 13 17.917 0.3 . 1 . . . . 164 V CG2 . 26983 2 265 . 1 1 170 170 ALA HB1 H 1 1.142 0.02 . 1 . . . . 168 A HB . 26983 2 266 . 1 1 170 170 ALA HB2 H 1 1.142 0.02 . 1 . . . . 168 A HB . 26983 2 267 . 1 1 170 170 ALA HB3 H 1 1.142 0.02 . 1 . . . . 168 A HB . 26983 2 268 . 1 1 170 170 ALA CB C 13 15.263 0.3 . 1 . . . . 168 A CB . 26983 2 269 . 1 1 172 172 LEU HD11 H 1 0.868 0.02 . 1 . . . . 170 L HD1 . 26983 2 270 . 1 1 172 172 LEU HD12 H 1 0.868 0.02 . 1 . . . . 170 L HD1 . 26983 2 271 . 1 1 172 172 LEU HD13 H 1 0.868 0.02 . 1 . . . . 170 L HD1 . 26983 2 272 . 1 1 172 172 LEU HD21 H 1 0.821 0.02 . 1 . . . . 170 L HD2 . 26983 2 273 . 1 1 172 172 LEU HD22 H 1 0.821 0.02 . 1 . . . . 170 L HD2 . 26983 2 274 . 1 1 172 172 LEU HD23 H 1 0.821 0.02 . 1 . . . . 170 L HD2 . 26983 2 275 . 1 1 172 172 LEU CD1 C 13 22.432 0.3 . 1 . . . . 170 L CD1 . 26983 2 276 . 1 1 172 172 LEU CD2 C 13 20.041 0.3 . 1 . . . . 170 L CD2 . 26983 2 stop_ save_