################################### # 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 27346 _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 . _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 1H-15N HSQC' . . . 27346 1 2 '3D CANH' . . . 27346 1 3 '3D CA(CO)NH' . . . 27346 1 4 '3D CONH' . . . 27346 1 5 '3D CO(CA)NH' . . . 27346 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 17 17 SER C C 13 175.714 0.8 . 1 . . . . . 17 S C . 27346 1 2 . 1 1 18 18 ASN H H 1 8.322 0.1 . 1 . . . . . 18 N H . 27346 1 3 . 1 1 18 18 ASN C C 13 175.435 0.8 . 1 . . . . . 18 N C . 27346 1 4 . 1 1 18 18 ASN CA C 13 52.316 0.8 . 1 . . . . . 18 N CA . 27346 1 5 . 1 1 18 18 ASN N N 15 122.942 0.7 . 1 . . . . . 18 N N . 27346 1 6 . 1 1 19 19 ARG H H 1 7.888 0.1 . 1 . . . . . 19 R H . 27346 1 7 . 1 1 19 19 ARG C C 13 176.600 0.8 . 1 . . . . . 19 R C . 27346 1 8 . 1 1 19 19 ARG CA C 13 55.816 0.8 . 1 . . . . . 19 R CA . 27346 1 9 . 1 1 19 19 ARG N N 15 121.604 0.7 . 1 . . . . . 19 R N . 27346 1 10 . 1 1 20 20 ALA H H 1 7.556 0.1 . 1 . . . . . 20 A H . 27346 1 11 . 1 1 20 20 ALA C C 13 175.525 0.8 . 1 . . . . . 20 A C . 27346 1 12 . 1 1 20 20 ALA CA C 13 51.168 0.8 . 1 . . . . . 20 A CA . 27346 1 13 . 1 1 20 20 ALA N N 15 116.084 0.7 . 1 . . . . . 20 A N . 27346 1 14 . 1 1 21 21 GLY H H 1 7.720 0.1 . 1 . . . . . 21 G H . 27346 1 15 . 1 1 21 21 GLY C C 13 174.412 0.8 . 1 . . . . . 21 G C . 27346 1 16 . 1 1 21 21 GLY CA C 13 45.609 0.8 . 1 . . . . . 21 G CA . 27346 1 17 . 1 1 21 21 GLY N N 15 106.207 0.7 . 1 . . . . . 21 G N . 27346 1 18 . 1 1 22 22 LEU H H 1 8.172 0.1 . 1 . . . . . 22 L H . 27346 1 19 . 1 1 22 22 LEU C C 13 176.767 0.8 . 1 . . . . . 22 L C . 27346 1 20 . 1 1 22 22 LEU CA C 13 53.395 0.8 . 1 . . . . . 22 L CA . 27346 1 21 . 1 1 22 22 LEU N N 15 118.271 0.7 . 1 . . . . . 22 L N . 27346 1 22 . 1 1 23 23 GLN H H 1 11.145 0.1 . 1 . . . . . 23 Q H . 27346 1 23 . 1 1 23 23 GLN C C 13 177.767 0.8 . 1 . . . . . 23 Q C . 27346 1 24 . 1 1 23 23 GLN CA C 13 55.197 0.8 . 1 . . . . . 23 Q CA . 27346 1 25 . 1 1 23 23 GLN N N 15 119.572 0.7 . 1 . . . . . 23 Q N . 27346 1 26 . 1 1 24 24 PHE H H 1 8.747 0.1 . 1 . . . . . 24 F H . 27346 1 27 . 1 1 24 24 PHE C C 13 174.700 0.8 . 1 . . . . . 24 F C . 27346 1 28 . 1 1 24 24 PHE CA C 13 57.217 0.8 . 1 . . . . . 24 F CA . 27346 1 29 . 1 1 24 24 PHE N N 15 121.196 0.7 . 1 . . . . . 24 F N . 27346 1 30 . 1 1 25 25 PRO C C 13 174.975 0.8 . 1 . . . . . 25 P C . 27346 1 31 . 1 1 25 25 PRO CA C 13 61.190 0.8 . 1 . . . . . 25 P CA . 27346 1 32 . 1 1 26 26 VAL H H 1 7.919 0.1 . 1 . . . . . 26 V H . 27346 1 33 . 1 1 26 26 VAL C C 13 177.300 0.8 . 1 . . . . . 26 V C . 27346 1 34 . 1 1 26 26 VAL CA C 13 66.716 0.8 . 1 . . . . . 26 V CA . 27346 1 35 . 1 1 26 26 VAL N N 15 127.822 0.7 . 1 . . . . . 26 V N . 27346 1 36 . 1 1 27 27 GLY H H 1 8.909 0.1 . 1 . . . . . 27 G H . 27346 1 37 . 1 1 27 27 GLY C C 13 177.108 0.8 . 1 . . . . . 27 G C . 27346 1 38 . 1 1 27 27 GLY CA C 13 47.439 0.8 . 1 . . . . . 27 G CA . 27346 1 39 . 1 1 27 27 GLY N N 15 107.577 0.7 . 1 . . . . . 27 G N . 27346 1 40 . 1 1 28 28 ARG H H 1 8.308 0.1 . 1 . . . . . 28 R H . 27346 1 41 . 1 1 28 28 ARG C C 13 177.401 0.8 . 1 . . . . . 28 R C . 27346 1 42 . 1 1 28 28 ARG CA C 13 59.116 0.8 . 1 . . . . . 28 R CA . 27346 1 43 . 1 1 28 28 ARG N N 15 124.451 0.7 . 1 . . . . . 28 R N . 27346 1 44 . 1 1 29 29 ILE H H 1 7.938 0.1 . 1 . . . . . 29 I H . 27346 1 45 . 1 1 29 29 ILE C C 13 177.414 0.8 . 1 . . . . . 29 I C . 27346 1 46 . 1 1 29 29 ILE CA C 13 65.413 0.8 . 1 . . . . . 29 I CA . 27346 1 47 . 1 1 29 29 ILE N N 15 118.946 0.7 . 1 . . . . . 29 I N . 27346 1 48 . 1 1 30 30 HIS H H 1 8.856 0.1 . 1 . . . . . 30 H H . 27346 1 49 . 1 1 30 30 HIS C C 13 177.290 0.8 . 1 . . . . . 30 H C . 27346 1 50 . 1 1 30 30 HIS CA C 13 58.898 0.8 . 1 . . . . . 30 H CA . 27346 1 51 . 1 1 30 30 HIS N N 15 121.013 0.7 . 1 . . . . . 30 H N . 27346 1 52 . 1 1 31 31 ARG H H 1 7.888 0.1 . 1 . . . . . 31 R H . 27346 1 53 . 1 1 31 31 ARG C C 13 179.916 0.8 . 1 . . . . . 31 R C . 27346 1 54 . 1 1 31 31 ARG CA C 13 58.294 0.8 . 1 . . . . . 31 R CA . 27346 1 55 . 1 1 31 31 ARG N N 15 118.805 0.7 . 1 . . . . . 31 R N . 27346 1 56 . 1 1 32 32 LEU H H 1 8.230 0.1 . 1 . . . . . 32 L H . 27346 1 57 . 1 1 32 32 LEU C C 13 181.799 0.8 . 1 . . . . . 32 L C . 27346 1 58 . 1 1 32 32 LEU CA C 13 57.150 0.8 . 1 . . . . . 32 L CA . 27346 1 59 . 1 1 32 32 LEU N N 15 121.274 0.7 . 1 . . . . . 32 L N . 27346 1 60 . 1 1 33 33 LEU H H 1 8.654 0.1 . 1 . . . . . 33 L H . 27346 1 61 . 1 1 33 33 LEU C C 13 179.275 0.8 . 1 . . . . . 33 L C . 27346 1 62 . 1 1 33 33 LEU CA C 13 57.390 0.8 . 1 . . . . . 33 L CA . 27346 1 63 . 1 1 33 33 LEU N N 15 120.146 0.7 . 1 . . . . . 33 L N . 27346 1 64 . 1 1 34 34 ARG H H 1 8.301 0.1 . 1 . . . . . 34 R H . 27346 1 65 . 1 1 34 34 ARG C C 13 179.848 0.8 . 1 . . . . . 34 R C . 27346 1 66 . 1 1 34 34 ARG CA C 13 59.252 0.8 . 1 . . . . . 34 R CA . 27346 1 67 . 1 1 34 34 ARG N N 15 119.286 0.7 . 1 . . . . . 34 R N . 27346 1 68 . 1 1 35 35 LYS H H 1 8.767 0.1 . 1 . . . . . 35 K H . 27346 1 69 . 1 1 35 35 LYS C C 13 177.810 0.8 . 1 . . . . . 35 K C . 27346 1 70 . 1 1 35 35 LYS CA C 13 56.259 0.8 . 1 . . . . . 35 K CA . 27346 1 71 . 1 1 35 35 LYS N N 15 117.632 0.7 . 1 . . . . . 35 K N . 27346 1 72 . 1 1 36 36 GLY H H 1 7.461 0.1 . 1 . . . . . 36 G H . 27346 1 73 . 1 1 36 36 GLY C C 13 173.054 0.8 . 1 . . . . . 36 G C . 27346 1 74 . 1 1 36 36 GLY CA C 13 44.806 0.8 . 1 . . . . . 36 G CA . 27346 1 75 . 1 1 36 36 GLY N N 15 104.283 0.7 . 1 . . . . . 36 G N . 27346 1 76 . 1 1 37 37 ASN H H 1 8.002 0.1 . 1 . . . . . 37 N H . 27346 1 77 . 1 1 37 37 ASN C C 13 177.966 0.8 . 1 . . . . . 37 N C . 27346 1 78 . 1 1 37 37 ASN CA C 13 53.256 0.8 . 1 . . . . . 37 N CA . 27346 1 79 . 1 1 37 37 ASN N N 15 116.193 0.7 . 1 . . . . . 37 N N . 27346 1 80 . 1 1 38 38 TYR H H 1 7.219 0.1 . 1 . . . . . 38 Y H . 27346 1 81 . 1 1 38 38 TYR C C 13 176.291 0.8 . 1 . . . . . 38 Y C . 27346 1 82 . 1 1 38 38 TYR CA C 13 60.748 0.8 . 1 . . . . . 38 Y CA . 27346 1 83 . 1 1 38 38 TYR N N 15 119.193 0.7 . 1 . . . . . 38 Y N . 27346 1 84 . 1 1 39 39 ALA H H 1 8.149 0.1 . 1 . . . . . 39 A H . 27346 1 85 . 1 1 39 39 ALA C C 13 175.692 0.8 . 1 . . . . . 39 A C . 27346 1 86 . 1 1 39 39 ALA CA C 13 50.971 0.8 . 1 . . . . . 39 A CA . 27346 1 87 . 1 1 39 39 ALA N N 15 119.150 0.7 . 1 . . . . . 39 A N . 27346 1 88 . 1 1 40 40 GLU H H 1 8.538 0.1 . 1 . . . . . 40 E H . 27346 1 89 . 1 1 40 40 GLU C C 13 176.971 0.8 . 1 . . . . . 40 E C . 27346 1 90 . 1 1 40 40 GLU CA C 13 58.897 0.8 . 1 . . . . . 40 E CA . 27346 1 91 . 1 1 40 40 GLU N N 15 120.046 0.7 . 1 . . . . . 40 E N . 27346 1 92 . 1 1 41 41 ARG H H 1 8.080 0.1 . 1 . . . . . 41 R H . 27346 1 93 . 1 1 41 41 ARG C C 13 174.687 0.8 . 1 . . . . . 41 R C . 27346 1 94 . 1 1 41 41 ARG CA C 13 53.385 0.8 . 1 . . . . . 41 R CA . 27346 1 95 . 1 1 41 41 ARG N N 15 113.954 0.7 . 1 . . . . . 41 R N . 27346 1 96 . 1 1 42 42 VAL H H 1 9.619 0.1 . 1 . . . . . 42 V H . 27346 1 97 . 1 1 42 42 VAL C C 13 175.597 0.8 . 1 . . . . . 42 V C . 27346 1 98 . 1 1 42 42 VAL CA C 13 60.890 0.8 . 1 . . . . . 42 V CA . 27346 1 99 . 1 1 42 42 VAL N N 15 122.725 0.7 . 1 . . . . . 42 V N . 27346 1 100 . 1 1 43 43 GLY H H 1 9.053 0.1 . 1 . . . . . 43 G H . 27346 1 101 . 1 1 43 43 GLY C C 13 174.901 0.8 . 1 . . . . . 43 G C . 27346 1 102 . 1 1 43 43 GLY CA C 13 44.891 0.8 . 1 . . . . . 43 G CA . 27346 1 103 . 1 1 43 43 GLY N N 15 114.103 0.7 . 1 . . . . . 43 G N . 27346 1 104 . 1 1 44 44 ALA H H 1 9.035 0.1 . 1 . . . . . 44 A H . 27346 1 105 . 1 1 44 44 ALA C C 13 179.741 0.8 . 1 . . . . . 44 A C . 27346 1 106 . 1 1 44 44 ALA CA C 13 54.996 0.8 . 1 . . . . . 44 A CA . 27346 1 107 . 1 1 44 44 ALA N N 15 123.203 0.7 . 1 . . . . . 44 A N . 27346 1 108 . 1 1 45 45 GLY H H 1 8.467 0.1 . 1 . . . . . 45 G H . 27346 1 109 . 1 1 45 45 GLY C C 13 175.535 0.8 . 1 . . . . . 45 G C . 27346 1 110 . 1 1 45 45 GLY CA C 13 45.070 0.8 . 1 . . . . . 45 G CA . 27346 1 111 . 1 1 45 45 GLY N N 15 100.925 0.7 . 1 . . . . . 45 G N . 27346 1 112 . 1 1 46 46 ALA H H 1 7.429 0.1 . 1 . . . . . 46 A H . 27346 1 113 . 1 1 46 46 ALA C C 13 176.800 0.8 . 1 . . . . . 46 A C . 27346 1 114 . 1 1 46 46 ALA CA C 13 55.892 0.8 . 1 . . . . . 46 A CA . 27346 1 115 . 1 1 46 46 ALA N N 15 122.717 0.7 . 1 . . . . . 46 A N . 27346 1 116 . 1 1 47 47 PRO C C 13 176.954 0.8 . 1 . . . . . 47 P C . 27346 1 117 . 1 1 47 47 PRO CA C 13 64.750 0.8 . 1 . . . . . 47 P CA . 27346 1 118 . 1 1 48 48 VAL H H 1 5.959 0.1 . 1 . . . . . 48 V H . 27346 1 119 . 1 1 48 48 VAL C C 13 175.327 0.8 . 1 . . . . . 48 V C . 27346 1 120 . 1 1 48 48 VAL CA C 13 65.594 0.8 . 1 . . . . . 48 V CA . 27346 1 121 . 1 1 48 48 VAL N N 15 117.809 0.7 . 1 . . . . . 48 V N . 27346 1 122 . 1 1 49 49 TYR H H 1 7.705 0.1 . 1 . . . . . 49 Y H . 27346 1 123 . 1 1 49 49 TYR C C 13 179.072 0.8 . 1 . . . . . 49 Y C . 27346 1 124 . 1 1 49 49 TYR CA C 13 59.979 0.8 . 1 . . . . . 49 Y CA . 27346 1 125 . 1 1 49 49 TYR N N 15 119.458 0.7 . 1 . . . . . 49 Y N . 27346 1 126 . 1 1 50 50 LEU H H 1 7.963 0.1 . 1 . . . . . 50 L H . 27346 1 127 . 1 1 50 50 LEU C C 13 177.661 0.8 . 1 . . . . . 50 L C . 27346 1 128 . 1 1 50 50 LEU CA C 13 57.120 0.8 . 1 . . . . . 50 L CA . 27346 1 129 . 1 1 50 50 LEU N N 15 117.002 0.7 . 1 . . . . . 50 L N . 27346 1 130 . 1 1 51 51 ALA H H 1 8.155 0.1 . 1 . . . . . 51 A H . 27346 1 131 . 1 1 51 51 ALA C C 13 178.854 0.8 . 1 . . . . . 51 A C . 27346 1 132 . 1 1 51 51 ALA CA C 13 55.020 0.8 . 1 . . . . . 51 A CA . 27346 1 133 . 1 1 51 51 ALA N N 15 119.589 0.7 . 1 . . . . . 51 A N . 27346 1 134 . 1 1 52 52 ALA H H 1 7.635 0.1 . 1 . . . . . 52 A H . 27346 1 135 . 1 1 52 52 ALA C C 13 180.416 0.8 . 1 . . . . . 52 A C . 27346 1 136 . 1 1 52 52 ALA CA C 13 54.234 0.8 . 1 . . . . . 52 A CA . 27346 1 137 . 1 1 52 52 ALA N N 15 117.705 0.7 . 1 . . . . . 52 A N . 27346 1 138 . 1 1 53 53 VAL H H 1 7.820 0.1 . 1 . . . . . 53 V H . 27346 1 139 . 1 1 53 53 VAL C C 13 177.238 0.8 . 1 . . . . . 53 V C . 27346 1 140 . 1 1 53 53 VAL CA C 13 66.627 0.8 . 1 . . . . . 53 V CA . 27346 1 141 . 1 1 53 53 VAL N N 15 118.701 0.7 . 1 . . . . . 53 V N . 27346 1 142 . 1 1 54 54 MET H H 1 8.288 0.1 . 1 . . . . . 54 M H . 27346 1 143 . 1 1 54 54 MET C C 13 176.349 0.8 . 1 . . . . . 54 M C . 27346 1 144 . 1 1 54 54 MET CA C 13 59.268 0.8 . 1 . . . . . 54 M CA . 27346 1 145 . 1 1 54 54 MET N N 15 118.759 0.7 . 1 . . . . . 54 M N . 27346 1 146 . 1 1 55 55 GLU H H 1 7.865 0.1 . 1 . . . . . 55 E H . 27346 1 147 . 1 1 55 55 GLU C C 13 176.960 0.8 . 1 . . . . . 55 E C . 27346 1 148 . 1 1 55 55 GLU CA C 13 59.199 0.8 . 1 . . . . . 55 E CA . 27346 1 149 . 1 1 55 55 GLU N N 15 118.861 0.7 . 1 . . . . . 55 E N . 27346 1 150 . 1 1 56 56 TYR H H 1 7.700 0.1 . 1 . . . . . 56 Y H . 27346 1 151 . 1 1 56 56 TYR C C 13 176.950 0.8 . 1 . . . . . 56 Y C . 27346 1 152 . 1 1 56 56 TYR CA C 13 60.119 0.8 . 1 . . . . . 56 Y CA . 27346 1 153 . 1 1 56 56 TYR N N 15 118.310 0.7 . 1 . . . . . 56 Y N . 27346 1 154 . 1 1 57 57 LEU H H 1 7.994 0.1 . 1 . . . . . 57 L H . 27346 1 155 . 1 1 57 57 LEU C C 13 179.245 0.8 . 1 . . . . . 57 L C . 27346 1 156 . 1 1 57 57 LEU CA C 13 57.186 0.8 . 1 . . . . . 57 L CA . 27346 1 157 . 1 1 57 57 LEU N N 15 117.099 0.7 . 1 . . . . . 57 L N . 27346 1 158 . 1 1 58 58 ALA H H 1 8.102 0.1 . 1 . . . . . 58 A H . 27346 1 159 . 1 1 58 58 ALA C C 13 178.383 0.8 . 1 . . . . . 58 A C . 27346 1 160 . 1 1 58 58 ALA CA C 13 55.260 0.8 . 1 . . . . . 58 A CA . 27346 1 161 . 1 1 58 58 ALA N N 15 119.118 0.7 . 1 . . . . . 58 A N . 27346 1 162 . 1 1 59 59 ALA H H 1 8.590 0.1 . 1 . . . . . 59 A H . 27346 1 163 . 1 1 59 59 ALA C C 13 179.265 0.8 . 1 . . . . . 59 A C . 27346 1 164 . 1 1 59 59 ALA CA C 13 55.338 0.8 . 1 . . . . . 59 A CA . 27346 1 165 . 1 1 59 59 ALA N N 15 120.009 0.7 . 1 . . . . . 59 A N . 27346 1 166 . 1 1 60 60 GLU H H 1 8.133 0.1 . 1 . . . . . 60 E H . 27346 1 167 . 1 1 60 60 GLU C C 13 178.658 0.8 . 1 . . . . . 60 E C . 27346 1 168 . 1 1 60 60 GLU CA C 13 58.777 0.8 . 1 . . . . . 60 E CA . 27346 1 169 . 1 1 60 60 GLU N N 15 119.450 0.7 . 1 . . . . . 60 E N . 27346 1 170 . 1 1 61 61 VAL H H 1 7.605 0.1 . 1 . . . . . 61 V H . 27346 1 171 . 1 1 61 61 VAL C C 13 178.079 0.8 . 1 . . . . . 61 V C . 27346 1 172 . 1 1 61 61 VAL CA C 13 66.759 0.8 . 1 . . . . . 61 V CA . 27346 1 173 . 1 1 61 61 VAL N N 15 116.366 0.7 . 1 . . . . . 61 V N . 27346 1 174 . 1 1 62 62 LEU H H 1 8.592 0.1 . 1 . . . . . 62 L H . 27346 1 175 . 1 1 62 62 LEU C C 13 179.907 0.8 . 1 . . . . . 62 L C . 27346 1 176 . 1 1 62 62 LEU CA C 13 57.590 0.8 . 1 . . . . . 62 L CA . 27346 1 177 . 1 1 62 62 LEU N N 15 117.876 0.7 . 1 . . . . . 62 L N . 27346 1 178 . 1 1 63 63 GLU H H 1 8.999 0.1 . 1 . . . . . 63 E H . 27346 1 179 . 1 1 63 63 GLU C C 13 180.256 0.8 . 1 . . . . . 63 E C . 27346 1 180 . 1 1 63 63 GLU CA C 13 58.956 0.8 . 1 . . . . . 63 E CA . 27346 1 181 . 1 1 63 63 GLU N N 15 122.097 0.7 . 1 . . . . . 63 E N . 27346 1 182 . 1 1 64 64 LEU H H 1 7.583 0.1 . 1 . . . . . 64 L H . 27346 1 183 . 1 1 64 64 LEU C C 13 180.762 0.8 . 1 . . . . . 64 L C . 27346 1 184 . 1 1 64 64 LEU CA C 13 57.317 0.8 . 1 . . . . . 64 L CA . 27346 1 185 . 1 1 64 64 LEU N N 15 119.036 0.7 . 1 . . . . . 64 L N . 27346 1 186 . 1 1 65 65 ALA H H 1 9.495 0.1 . 1 . . . . . 65 A H . 27346 1 187 . 1 1 65 65 ALA C C 13 179.728 0.8 . 1 . . . . . 65 A C . 27346 1 188 . 1 1 65 65 ALA CA C 13 54.359 0.8 . 1 . . . . . 65 A CA . 27346 1 189 . 1 1 65 65 ALA N N 15 124.497 0.7 . 1 . . . . . 65 A N . 27346 1 190 . 1 1 66 66 GLY H H 1 8.759 0.1 . 1 . . . . . 66 G H . 27346 1 191 . 1 1 66 66 GLY C C 13 176.203 0.8 . 1 . . . . . 66 G C . 27346 1 192 . 1 1 66 66 GLY CA C 13 45.483 0.8 . 1 . . . . . 66 G CA . 27346 1 193 . 1 1 66 66 GLY N N 15 105.591 0.7 . 1 . . . . . 66 G N . 27346 1 194 . 1 1 67 67 ASN H H 1 8.123 0.1 . 1 . . . . . 67 N H . 27346 1 195 . 1 1 67 67 ASN C C 13 176.814 0.8 . 1 . . . . . 67 N C . 27346 1 196 . 1 1 67 67 ASN CA C 13 55.324 0.8 . 1 . . . . . 67 N CA . 27346 1 197 . 1 1 67 67 ASN N N 15 118.310 0.7 . 1 . . . . . 67 N N . 27346 1 198 . 1 1 68 68 ALA H H 1 7.429 0.1 . 1 . . . . . 68 A H . 27346 1 199 . 1 1 68 68 ALA C C 13 180.036 0.8 . 1 . . . . . 68 A C . 27346 1 200 . 1 1 68 68 ALA CA C 13 54.803 0.8 . 1 . . . . . 68 A CA . 27346 1 201 . 1 1 68 68 ALA N N 15 122.717 0.7 . 1 . . . . . 68 A N . 27346 1 202 . 1 1 69 69 ALA H H 1 7.877 0.1 . 1 . . . . . 69 A H . 27346 1 203 . 1 1 69 69 ALA C C 13 179.427 0.8 . 1 . . . . . 69 A C . 27346 1 204 . 1 1 69 69 ALA CA C 13 54.879 0.8 . 1 . . . . . 69 A CA . 27346 1 205 . 1 1 69 69 ALA N N 15 122.809 0.7 . 1 . . . . . 69 A N . 27346 1 206 . 1 1 70 70 ARG H H 1 7.622 0.1 . 1 . . . . . 70 R H . 27346 1 207 . 1 1 70 70 ARG C C 13 181.472 0.8 . 1 . . . . . 70 R C . 27346 1 208 . 1 1 70 70 ARG CA C 13 58.642 0.8 . 1 . . . . . 70 R CA . 27346 1 209 . 1 1 70 70 ARG N N 15 118.882 0.7 . 1 . . . . . 70 R N . 27346 1 210 . 1 1 71 71 ASP H H 1 8.322 0.1 . 1 . . . . . 71 D H . 27346 1 211 . 1 1 71 71 ASP C C 13 176.846 0.8 . 1 . . . . . 71 D C . 27346 1 212 . 1 1 71 71 ASP CA C 13 56.627 0.8 . 1 . . . . . 71 D CA . 27346 1 213 . 1 1 71 71 ASP N N 15 121.942 0.7 . 1 . . . . . 71 D N . 27346 1 214 . 1 1 72 72 ASN H H 1 7.296 0.1 . 1 . . . . . 72 N H . 27346 1 215 . 1 1 72 72 ASN C C 13 173.086 0.8 . 1 . . . . . 72 N C . 27346 1 216 . 1 1 72 72 ASN CA C 13 52.535 0.8 . 1 . . . . . 72 N CA . 27346 1 217 . 1 1 72 72 ASN N N 15 116.435 0.7 . 1 . . . . . 72 N N . 27346 1 218 . 1 1 73 73 LYS H H 1 8.113 0.1 . 1 . . . . . 73 K H . 27346 1 219 . 1 1 73 73 LYS C C 13 175.185 0.8 . 1 . . . . . 73 K C . 27346 1 220 . 1 1 73 73 LYS CA C 13 57.239 0.8 . 1 . . . . . 73 K CA . 27346 1 221 . 1 1 73 73 LYS N N 15 115.003 0.7 . 1 . . . . . 73 K N . 27346 1 222 . 1 1 74 74 LYS H H 1 7.966 0.1 . 1 . . . . . 74 K H . 27346 1 223 . 1 1 74 74 LYS C C 13 176.505 0.8 . 1 . . . . . 74 K C . 27346 1 224 . 1 1 74 74 LYS CA C 13 52.464 0.8 . 1 . . . . . 74 K CA . 27346 1 225 . 1 1 74 74 LYS N N 15 116.987 0.7 . 1 . . . . . 74 K N . 27346 1 226 . 1 1 75 75 THR H H 1 8.814 0.1 . 1 . . . . . 75 T H . 27346 1 227 . 1 1 75 75 THR C C 13 173.916 0.8 . 1 . . . . . 75 T C . 27346 1 228 . 1 1 75 75 THR CA C 13 63.159 0.8 . 1 . . . . . 75 T CA . 27346 1 229 . 1 1 75 75 THR N N 15 114.956 0.7 . 1 . . . . . 75 T N . 27346 1 230 . 1 1 76 76 ARG H H 1 7.786 0.1 . 1 . . . . . 76 R H . 27346 1 231 . 1 1 76 76 ARG C C 13 175.281 0.8 . 1 . . . . . 76 R C . 27346 1 232 . 1 1 76 76 ARG CA C 13 54.268 0.8 . 1 . . . . . 76 R CA . 27346 1 233 . 1 1 76 76 ARG N N 15 118.076 0.7 . 1 . . . . . 76 R N . 27346 1 234 . 1 1 77 77 ILE H H 1 8.241 0.1 . 1 . . . . . 77 I H . 27346 1 235 . 1 1 77 77 ILE C C 13 175.425 0.8 . 1 . . . . . 77 I C . 27346 1 236 . 1 1 77 77 ILE CA C 13 61.340 0.8 . 1 . . . . . 77 I CA . 27346 1 237 . 1 1 77 77 ILE N N 15 124.083 0.7 . 1 . . . . . 77 I N . 27346 1 238 . 1 1 78 78 ILE H H 1 8.879 0.1 . 1 . . . . . 78 I H . 27346 1 239 . 1 1 78 78 ILE C C 13 175.700 0.8 . 1 . . . . . 78 I C . 27346 1 240 . 1 1 78 78 ILE CA C 13 58.878 0.8 . 1 . . . . . 78 I CA . 27346 1 241 . 1 1 78 78 ILE N N 15 123.478 0.7 . 1 . . . . . 78 I N . 27346 1 242 . 1 1 79 79 PRO C C 13 177.301 0.8 . 1 . . . . . 79 P C . 27346 1 243 . 1 1 79 79 PRO CA C 13 66.980 0.8 . 1 . . . . . 79 P CA . 27346 1 244 . 1 1 80 80 ARG H H 1 8.144 0.1 . 1 . . . . . 80 R H . 27346 1 245 . 1 1 80 80 ARG C C 13 177.769 0.8 . 1 . . . . . 80 R C . 27346 1 246 . 1 1 80 80 ARG CA C 13 57.263 0.8 . 1 . . . . . 80 R CA . 27346 1 247 . 1 1 80 80 ARG N N 15 114.765 0.7 . 1 . . . . . 80 R N . 27346 1 248 . 1 1 81 81 HIS H H 1 8.328 0.1 . 1 . . . . . 81 H H . 27346 1 249 . 1 1 81 81 HIS C C 13 178.720 0.8 . 1 . . . . . 81 H C . 27346 1 250 . 1 1 81 81 HIS CA C 13 57.658 0.8 . 1 . . . . . 81 H CA . 27346 1 251 . 1 1 81 81 HIS N N 15 117.469 0.7 . 1 . . . . . 81 H N . 27346 1 252 . 1 1 82 82 LEU H H 1 8.309 0.1 . 1 . . . . . 82 L H . 27346 1 253 . 1 1 82 82 LEU C C 13 177.311 0.8 . 1 . . . . . 82 L C . 27346 1 254 . 1 1 82 82 LEU CA C 13 57.557 0.8 . 1 . . . . . 82 L CA . 27346 1 255 . 1 1 82 82 LEU N N 15 115.597 0.7 . 1 . . . . . 82 L N . 27346 1 256 . 1 1 83 83 GLN H H 1 7.856 0.1 . 1 . . . . . 83 Q H . 27346 1 257 . 1 1 83 83 GLN C C 13 178.613 0.8 . 1 . . . . . 83 Q C . 27346 1 258 . 1 1 83 83 GLN CA C 13 59.532 0.8 . 1 . . . . . 83 Q CA . 27346 1 259 . 1 1 83 83 GLN N N 15 120.488 0.7 . 1 . . . . . 83 Q N . 27346 1 260 . 1 1 84 84 LEU H H 1 8.811 0.1 . 1 . . . . . 84 L H . 27346 1 261 . 1 1 84 84 LEU C C 13 178.531 0.8 . 1 . . . . . 84 L C . 27346 1 262 . 1 1 84 84 LEU CA C 13 57.611 0.8 . 1 . . . . . 84 L CA . 27346 1 263 . 1 1 84 84 LEU N N 15 119.470 0.7 . 1 . . . . . 84 L N . 27346 1 264 . 1 1 85 85 ALA H H 1 7.640 0.1 . 1 . . . . . 85 A H . 27346 1 265 . 1 1 85 85 ALA C C 13 179.287 0.8 . 1 . . . . . 85 A C . 27346 1 266 . 1 1 85 85 ALA CA C 13 53.944 0.8 . 1 . . . . . 85 A CA . 27346 1 267 . 1 1 85 85 ALA N N 15 118.466 0.7 . 1 . . . . . 85 A N . 27346 1 268 . 1 1 86 86 ILE H H 1 7.962 0.1 . 1 . . . . . 86 I H . 27346 1 269 . 1 1 86 86 ILE C C 13 176.959 0.8 . 1 . . . . . 86 I C . 27346 1 270 . 1 1 86 86 ILE CA C 13 64.088 0.8 . 1 . . . . . 86 I CA . 27346 1 271 . 1 1 86 86 ILE N N 15 113.657 0.7 . 1 . . . . . 86 I N . 27346 1 272 . 1 1 87 87 ARG H H 1 8.211 0.1 . 1 . . . . . 87 R H . 27346 1 273 . 1 1 87 87 ARG C C 13 178.218 0.8 . 1 . . . . . 87 R C . 27346 1 274 . 1 1 87 87 ARG CA C 13 55.317 0.8 . 1 . . . . . 87 R CA . 27346 1 275 . 1 1 87 87 ARG N N 15 110.113 0.7 . 1 . . . . . 87 R N . 27346 1 276 . 1 1 88 88 ASN H H 1 7.318 0.1 . 1 . . . . . 88 N H . 27346 1 277 . 1 1 88 88 ASN C C 13 173.649 0.8 . 1 . . . . . 88 N C . 27346 1 278 . 1 1 88 88 ASN CA C 13 53.647 0.8 . 1 . . . . . 88 N CA . 27346 1 279 . 1 1 88 88 ASN N N 15 113.674 0.7 . 1 . . . . . 88 N N . 27346 1 280 . 1 1 89 89 ASP H H 1 7.139 0.1 . 1 . . . . . 89 D H . 27346 1 281 . 1 1 89 89 ASP C C 13 174.446 0.8 . 1 . . . . . 89 D C . 27346 1 282 . 1 1 89 89 ASP CA C 13 53.218 0.8 . 1 . . . . . 89 D CA . 27346 1 283 . 1 1 89 89 ASP N N 15 121.680 0.7 . 1 . . . . . 89 D N . 27346 1 284 . 1 1 90 90 GLU H H 1 8.793 0.1 . 1 . . . . . 90 E H . 27346 1 285 . 1 1 90 90 GLU C C 13 176.851 0.8 . 1 . . . . . 90 E C . 27346 1 286 . 1 1 90 90 GLU CA C 13 59.636 0.8 . 1 . . . . . 90 E CA . 27346 1 287 . 1 1 90 90 GLU N N 15 125.779 0.7 . 1 . . . . . 90 E N . 27346 1 288 . 1 1 91 91 GLU H H 1 7.954 0.1 . 1 . . . . . 91 E H . 27346 1 289 . 1 1 91 91 GLU C C 13 179.063 0.8 . 1 . . . . . 91 E C . 27346 1 290 . 1 1 91 91 GLU CA C 13 59.884 0.8 . 1 . . . . . 91 E CA . 27346 1 291 . 1 1 91 91 GLU N N 15 116.948 0.7 . 1 . . . . . 91 E N . 27346 1 292 . 1 1 92 92 LEU H H 1 9.389 0.1 . 1 . . . . . 92 L H . 27346 1 293 . 1 1 92 92 LEU C C 13 178.746 0.8 . 1 . . . . . 92 L C . 27346 1 294 . 1 1 92 92 LEU CA C 13 57.818 0.8 . 1 . . . . . 92 L CA . 27346 1 295 . 1 1 92 92 LEU N N 15 122.068 0.7 . 1 . . . . . 92 L N . 27346 1 296 . 1 1 93 93 ASN H H 1 8.706 0.1 . 1 . . . . . 93 N H . 27346 1 297 . 1 1 93 93 ASN C C 13 177.501 0.8 . 1 . . . . . 93 N C . 27346 1 298 . 1 1 93 93 ASN CA C 13 56.395 0.8 . 1 . . . . . 93 N CA . 27346 1 299 . 1 1 93 93 ASN N N 15 116.836 0.7 . 1 . . . . . 93 N N . 27346 1 300 . 1 1 94 94 LYS H H 1 7.142 0.1 . 1 . . . . . 94 K H . 27346 1 301 . 1 1 94 94 LYS C C 13 178.171 0.8 . 1 . . . . . 94 K C . 27346 1 302 . 1 1 94 94 LYS CA C 13 58.440 0.8 . 1 . . . . . 94 K CA . 27346 1 303 . 1 1 94 94 LYS N N 15 116.285 0.7 . 1 . . . . . 94 K N . 27346 1 304 . 1 1 95 95 LEU H H 1 7.035 0.1 . 1 . . . . . 95 L H . 27346 1 305 . 1 1 95 95 LEU C C 13 176.955 0.8 . 1 . . . . . 95 L C . 27346 1 306 . 1 1 95 95 LEU CA C 13 57.728 0.8 . 1 . . . . . 95 L CA . 27346 1 307 . 1 1 95 95 LEU N N 15 115.757 0.7 . 1 . . . . . 95 L N . 27346 1 308 . 1 1 96 96 LEU H H 1 7.139 0.1 . 1 . . . . . 96 L H . 27346 1 309 . 1 1 96 96 LEU CA C 13 57.755 0.8 . 1 . . . . . 96 L CA . 27346 1 310 . 1 1 96 96 LEU N N 15 115.976 0.7 . 1 . . . . . 96 L N . 27346 1 311 . 1 1 98 98 GLY C C 13 173.979 0.8 . 1 . . . . . 98 G C . 27346 1 312 . 1 1 99 99 VAL H H 1 7.265 0.1 . 1 . . . . . 99 V H . 27346 1 313 . 1 1 99 99 VAL C C 13 176.367 0.8 . 1 . . . . . 99 V C . 27346 1 314 . 1 1 99 99 VAL CA C 13 60.612 0.8 . 1 . . . . . 99 V CA . 27346 1 315 . 1 1 99 99 VAL N N 15 120.297 0.7 . 1 . . . . . 99 V N . 27346 1 316 . 1 1 100 100 THR H H 1 8.931 0.1 . 1 . . . . . 100 T H . 27346 1 317 . 1 1 100 100 THR C C 13 172.795 0.8 . 1 . . . . . 100 T C . 27346 1 318 . 1 1 100 100 THR CA C 13 61.214 0.8 . 1 . . . . . 100 T CA . 27346 1 319 . 1 1 100 100 THR N N 15 124.381 0.7 . 1 . . . . . 100 T N . 27346 1 320 . 1 1 101 101 ILE H H 1 8.815 0.1 . 1 . . . . . 101 I H . 27346 1 321 . 1 1 101 101 ILE C C 13 175.057 0.8 . 1 . . . . . 101 I C . 27346 1 322 . 1 1 101 101 ILE CA C 13 59.546 0.8 . 1 . . . . . 101 I CA . 27346 1 323 . 1 1 101 101 ILE N N 15 127.922 0.7 . 1 . . . . . 101 I N . 27346 1 324 . 1 1 102 102 ALA H H 1 7.484 0.1 . 1 . . . . . 102 A H . 27346 1 325 . 1 1 102 102 ALA C C 13 175.748 0.8 . 1 . . . . . 102 A C . 27346 1 326 . 1 1 102 102 ALA CA C 13 52.755 0.8 . 1 . . . . . 102 A CA . 27346 1 327 . 1 1 102 102 ALA N N 15 131.638 0.7 . 1 . . . . . 102 A N . 27346 1 328 . 1 1 103 103 GLN H H 1 8.920 0.1 . 1 . . . . . 103 Q H . 27346 1 329 . 1 1 103 103 GLN C C 13 175.464 0.8 . 1 . . . . . 103 Q C . 27346 1 330 . 1 1 103 103 GLN CA C 13 56.404 0.8 . 1 . . . . . 103 Q CA . 27346 1 331 . 1 1 103 103 GLN N N 15 111.787 0.7 . 1 . . . . . 103 Q N . 27346 1 332 . 1 1 104 104 GLY H H 1 7.944 0.1 . 1 . . . . . 104 G H . 27346 1 333 . 1 1 104 104 GLY C C 13 174.899 0.8 . 1 . . . . . 104 G C . 27346 1 334 . 1 1 104 104 GLY CA C 13 45.733 0.8 . 1 . . . . . 104 G CA . 27346 1 335 . 1 1 104 104 GLY N N 15 102.777 0.7 . 1 . . . . . 104 G N . 27346 1 336 . 1 1 105 105 GLY H H 1 8.510 0.1 . 1 . . . . . 105 G H . 27346 1 337 . 1 1 105 105 GLY C C 13 173.220 0.8 . 1 . . . . . 105 G C . 27346 1 338 . 1 1 105 105 GLY CA C 13 44.167 0.8 . 1 . . . . . 105 G CA . 27346 1 339 . 1 1 105 105 GLY N N 15 107.058 0.7 . 1 . . . . . 105 G N . 27346 1 340 . 1 1 106 106 VAL H H 1 9.661 0.1 . 1 . . . . . 106 V H . 27346 1 341 . 1 1 106 106 VAL C C 13 175.600 0.8 . 1 . . . . . 106 V C . 27346 1 342 . 1 1 106 106 VAL CA C 13 58.364 0.8 . 1 . . . . . 106 V CA . 27346 1 343 . 1 1 106 106 VAL N N 15 114.064 0.7 . 1 . . . . . 106 V N . 27346 1 344 . 1 1 108 108 PRO C C 13 177.101 0.8 . 1 . . . . . 108 P C . 27346 1 345 . 1 1 108 108 PRO CA C 13 63.110 0.8 . 1 . . . . . 108 P CA . 27346 1 346 . 1 1 109 109 ASN H H 1 8.721 0.1 . 1 . . . . . 109 N H . 27346 1 347 . 1 1 109 109 ASN C C 13 172.751 0.8 . 1 . . . . . 109 N C . 27346 1 348 . 1 1 109 109 ASN CA C 13 54.504 0.8 . 1 . . . . . 109 N CA . 27346 1 349 . 1 1 109 109 ASN N N 15 122.597 0.7 . 1 . . . . . 109 N N . 27346 1 350 . 1 1 110 110 ILE H H 1 8.135 0.1 . 1 . . . . . 110 I H . 27346 1 351 . 1 1 110 110 ILE C C 13 175.948 0.8 . 1 . . . . . 110 I C . 27346 1 352 . 1 1 110 110 ILE CA C 13 59.779 0.8 . 1 . . . . . 110 I CA . 27346 1 353 . 1 1 110 110 ILE N N 15 126.165 0.7 . 1 . . . . . 110 I N . 27346 1 354 . 1 1 111 111 GLN H H 1 8.935 0.1 . 1 . . . . . 111 Q H . 27346 1 355 . 1 1 111 111 GLN C C 13 177.214 0.8 . 1 . . . . . 111 Q C . 27346 1 356 . 1 1 111 111 GLN CA C 13 55.404 0.8 . 1 . . . . . 111 Q CA . 27346 1 357 . 1 1 111 111 GLN N N 15 126.682 0.7 . 1 . . . . . 111 Q N . 27346 1 358 . 1 1 112 112 ALA H H 1 8.398 0.1 . 1 . . . . . 112 A H . 27346 1 359 . 1 1 112 112 ALA C C 13 180.300 0.8 . 1 . . . . . 112 A C . 27346 1 360 . 1 1 112 112 ALA CA C 13 55.265 0.8 . 1 . . . . . 112 A CA . 27346 1 361 . 1 1 112 112 ALA N N 15 125.476 0.7 . 1 . . . . . 112 A N . 27346 1 362 . 1 1 118 118 LYS C C 13 180.320 0.8 . 1 . . . . . 118 K C . 27346 1 363 . 1 1 118 118 LYS CA C 13 55.220 0.8 . 1 . . . . . 118 K CA . 27346 1 364 . 1 1 119 119 THR H H 1 7.960 0.1 . 1 . . . . . 119 T H . 27346 1 365 . 1 1 119 119 THR CA C 13 62.935 0.8 . 1 . . . . . 119 T CA . 27346 1 366 . 1 1 119 119 THR N N 15 112.458 0.7 . 1 . . . . . 119 T N . 27346 1 stop_ save_