################################### # 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 6642 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6642 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 1 1 ALA HA H 1 4.645 0.03 . 1 . . . . 1 ALA HA . 6642 1 2 . 1 1 1 1 ALA CA C 13 49.61 0.3 . 1 . . . . 1 ALA CA . 6642 1 3 . 1 1 2 2 PHE HA H 1 4.37 0.03 . 1 . . . . 2 PHE HA . 6642 1 4 . 1 1 2 2 PHE C C 13 173.533 0.3 . 1 . . . . 2 PHE C . 6642 1 5 . 1 1 2 2 PHE CA C 13 59.104 0.3 . 1 . . . . 2 PHE CA . 6642 1 6 . 1 1 3 3 SER H H 1 8.024 0.03 . 1 . . . . 3 SER H . 6642 1 7 . 1 1 3 3 SER HA H 1 4.333 0.03 . 1 . . . . 3 SER HA . 6642 1 8 . 1 1 3 3 SER C C 13 172.054 0.3 . 1 . . . . 3 SER C . 6642 1 9 . 1 1 3 3 SER CA C 13 57.758 0.3 . 1 . . . . 3 SER CA . 6642 1 10 . 1 1 3 3 SER N N 15 111.379 0.2 . 1 . . . . 3 SER N . 6642 1 11 . 1 1 4 4 GLY H H 1 9.079 0.03 . 1 . . . . 4 GLY H . 6642 1 12 . 1 1 4 4 GLY HA2 H 1 3.758 0.03 . 2 . . . . 4 GLY HA . 6642 1 13 . 1 1 4 4 GLY HA3 H 1 3.758 0.03 . 2 . . . . 4 GLY HA . 6642 1 14 . 1 1 4 4 GLY C C 13 178.679 0.3 . 1 . . . . 4 GLY C . 6642 1 15 . 1 1 4 4 GLY CA C 13 41.925 0.3 . 1 . . . . 4 GLY CA . 6642 1 16 . 1 1 4 4 GLY N N 15 111.766 0.2 . 1 . . . . 4 GLY N . 6642 1 17 . 1 1 5 5 THR H H 1 8.366 0.03 . 1 . . . . 5 THR H . 6642 1 18 . 1 1 5 5 THR HA H 1 4.743 0.03 . 1 . . . . 5 THR HA . 6642 1 19 . 1 1 5 5 THR C C 13 180.027 0.3 . 1 . . . . 5 THR C . 6642 1 20 . 1 1 5 5 THR CA C 13 60.509 0.3 . 1 . . . . 5 THR CA . 6642 1 21 . 1 1 5 5 THR N N 15 117.922 0.2 . 1 . . . . 5 THR N . 6642 1 22 . 1 1 6 6 TRP H H 1 9.484 0.03 . 1 . . . . 6 TRP H . 6642 1 23 . 1 1 6 6 TRP HA H 1 4.918 0.03 . 1 . . . . 6 TRP HA . 6642 1 24 . 1 1 6 6 TRP C C 13 172.726 0.3 . 1 . . . . 6 TRP C . 6642 1 25 . 1 1 6 6 TRP CA C 13 52.917 0.3 . 1 . . . . 6 TRP CA . 6642 1 26 . 1 1 6 6 TRP N N 15 127.91 0.2 . 1 . . . . 6 TRP N . 6642 1 27 . 1 1 7 7 GLN H H 1 9.371 0.03 . 1 . . . . 7 GLN H . 6642 1 28 . 1 1 7 7 GLN HA H 1 4.815 0.03 . 1 . . . . 7 GLN HA . 6642 1 29 . 1 1 7 7 GLN C C 13 173.819 0.3 . 1 . . . . 7 GLN C . 6642 1 30 . 1 1 7 7 GLN CA C 13 51.816 0.3 . 1 . . . . 7 GLN CA . 6642 1 31 . 1 1 7 7 GLN N N 15 123.72 0.2 . 1 . . . . 7 GLN N . 6642 1 32 . 1 1 8 8 VAL H H 1 8.286 0.03 . 1 . . . . 8 VAL H . 6642 1 33 . 1 1 8 8 VAL HA H 1 4.276 0.03 . 1 . . . . 8 VAL HA . 6642 1 34 . 1 1 8 8 VAL C C 13 173.931 0.3 . 1 . . . . 8 VAL C . 6642 1 35 . 1 1 8 8 VAL CA C 13 61.546 0.3 . 1 . . . . 8 VAL CA . 6642 1 36 . 1 1 8 8 VAL N N 15 131.504 0.2 . 1 . . . . 8 VAL N . 6642 1 37 . 1 1 9 9 TYR H H 1 9.504 0.03 . 1 . . . . 9 TYR H . 6642 1 38 . 1 1 9 9 TYR HA H 1 5.089 0.03 . 1 . . . . 9 TYR HA . 6642 1 39 . 1 1 9 9 TYR C C 13 172.000 0.3 . 1 . . . . 9 TYR C . 6642 1 40 . 1 1 9 9 TYR CA C 13 54.139 0.3 . 1 . . . . 9 TYR CA . 6642 1 41 . 1 1 9 9 TYR N N 15 124.186 0.2 . 1 . . . . 9 TYR N . 6642 1 42 . 1 1 10 10 ALA H H 1 7.341 0.03 . 1 . . . . 10 ALA H . 6642 1 43 . 1 1 10 10 ALA HA H 1 4.667 0.03 . 1 . . . . 10 ALA HA . 6642 1 44 . 1 1 10 10 ALA C C 13 172.831 0.3 . 1 . . . . 10 ALA C . 6642 1 45 . 1 1 10 10 ALA CA C 13 49.674 0.3 . 1 . . . . 10 ALA CA . 6642 1 46 . 1 1 10 10 ALA N N 15 126.041 0.2 . 1 . . . . 10 ALA N . 6642 1 47 . 1 1 11 11 GLN H H 1 8.9 0.03 . 1 . . . . 11 GLN H . 6642 1 48 . 1 1 11 11 GLN HA H 1 4.989 0.03 . 1 . . . . 11 GLN HA . 6642 1 49 . 1 1 11 11 GLN C C 13 171.804 0.3 . 1 . . . . 11 GLN C . 6642 1 50 . 1 1 11 11 GLN CA C 13 52.161 0.3 . 1 . . . . 11 GLN CA . 6642 1 51 . 1 1 11 11 GLN N N 15 120.435 0.2 . 1 . . . . 11 GLN N . 6642 1 52 . 1 1 12 12 GLU H H 1 9.269 0.03 . 1 . . . . 12 GLU H . 6642 1 53 . 1 1 12 12 GLU HA H 1 4.445 0.03 . 1 . . . . 12 GLU HA . 6642 1 54 . 1 1 12 12 GLU C C 13 173.709 0.3 . 1 . . . . 12 GLU C . 6642 1 55 . 1 1 12 12 GLU CA C 13 53.723 0.3 . 1 . . . . 12 GLU CA . 6642 1 56 . 1 1 12 12 GLU N N 15 124.906 0.2 . 1 . . . . 12 GLU N . 6642 1 57 . 1 1 13 13 ASN H H 1 9.215 0.03 . 1 . . . . 13 ASN H . 6642 1 58 . 1 1 13 13 ASN HA H 1 4.681 0.03 . 1 . . . . 13 ASN HA . 6642 1 59 . 1 1 13 13 ASN C C 13 173.801 0.3 . 1 . . . . 13 ASN C . 6642 1 60 . 1 1 13 13 ASN CA C 13 51.675 0.3 . 1 . . . . 13 ASN CA . 6642 1 61 . 1 1 13 13 ASN N N 15 118.884 0.2 . 1 . . . . 13 ASN N . 6642 1 62 . 1 1 14 14 TYR H H 1 7.882 0.03 . 1 . . . . 14 TYR H . 6642 1 63 . 1 1 14 14 TYR HA H 1 4.481 0.03 . 1 . . . . 14 TYR HA . 6642 1 64 . 1 1 14 14 TYR C C 13 174.712 0.3 . 1 . . . . 14 TYR C . 6642 1 65 . 1 1 14 14 TYR CA C 13 56.835 0.3 . 1 . . . . 14 TYR CA . 6642 1 66 . 1 1 14 14 TYR N N 15 118.255 0.2 . 1 . . . . 14 TYR N . 6642 1 67 . 1 1 15 15 GLU H H 1 8.957 0.03 . 1 . . . . 15 GLU H . 6642 1 68 . 1 1 15 15 GLU HA H 1 3.55 0.03 . 1 . . . . 15 GLU HA . 6642 1 69 . 1 1 15 15 GLU C C 13 176.221 0.3 . 1 . . . . 15 GLU C . 6642 1 70 . 1 1 15 15 GLU CA C 13 58.781 0.3 . 1 . . . . 15 GLU CA . 6642 1 71 . 1 1 15 15 GLU N N 15 118.286 0.2 . 1 . . . . 15 GLU N . 6642 1 72 . 1 1 16 16 GLU H H 1 8.684 0.03 . 1 . . . . 16 GLU H . 6642 1 73 . 1 1 16 16 GLU HA H 1 3.843 0.03 . 1 . . . . 16 GLU HA . 6642 1 74 . 1 1 16 16 GLU C C 13 176.923 0.3 . 1 . . . . 16 GLU C . 6642 1 75 . 1 1 16 16 GLU CA C 13 57.478 0.3 . 1 . . . . 16 GLU CA . 6642 1 76 . 1 1 16 16 GLU N N 15 118.39 0.2 . 1 . . . . 16 GLU N . 6642 1 77 . 1 1 17 17 PHE H H 1 8.183 0.03 . 1 . . . . 17 PHE H . 6642 1 78 . 1 1 17 17 PHE HA H 1 4.002 0.03 . 1 . . . . 17 PHE HA . 6642 1 79 . 1 1 17 17 PHE C C 13 173.637 0.3 . 1 . . . . 17 PHE C . 6642 1 80 . 1 1 17 17 PHE CA C 13 60.049 0.3 . 1 . . . . 17 PHE CA . 6642 1 81 . 1 1 17 17 PHE N N 15 123.588 0.2 . 1 . . . . 17 PHE N . 6642 1 82 . 1 1 18 18 LEU H H 1 8.501 0.03 . 1 . . . . 18 LEU H . 6642 1 83 . 1 1 18 18 LEU HA H 1 3.657 0.03 . 1 . . . . 18 LEU HA . 6642 1 84 . 1 1 18 18 LEU C C 13 177.308 0.3 . 1 . . . . 18 LEU C . 6642 1 85 . 1 1 18 18 LEU CA C 13 55.6 0.3 . 1 . . . . 18 LEU CA . 6642 1 86 . 1 1 18 18 LEU N N 15 118.021 0.2 . 1 . . . . 18 LEU N . 6642 1 87 . 1 1 19 19 LYS H H 1 7.913 0.03 . 1 . . . . 19 LYS H . 6642 1 88 . 1 1 19 19 LYS HA H 1 3.926 0.03 . 1 . . . . 19 LYS HA . 6642 1 89 . 1 1 19 19 LYS C C 13 178.43 0.3 . 1 . . . . 19 LYS C . 6642 1 90 . 1 1 19 19 LYS CA C 13 57.108 0.3 . 1 . . . . 19 LYS CA . 6642 1 91 . 1 1 19 19 LYS N N 15 117.705 0.2 . 1 . . . . 19 LYS N . 6642 1 92 . 1 1 20 20 ALA H H 1 7.957 0.03 . 1 . . . . 20 ALA H . 6642 1 93 . 1 1 20 20 ALA HA H 1 4.124 0.03 . 1 . . . . 20 ALA HA . 6642 1 94 . 1 1 20 20 ALA C C 13 176.893 0.3 . 1 . . . . 20 ALA C . 6642 1 95 . 1 1 20 20 ALA CA C 13 52.399 0.3 . 1 . . . . 20 ALA CA . 6642 1 96 . 1 1 20 20 ALA N N 15 125.759 0.2 . 1 . . . . 20 ALA N . 6642 1 97 . 1 1 21 21 LEU H H 1 7.253 0.03 . 1 . . . . 21 LEU H . 6642 1 98 . 1 1 21 21 LEU HA H 1 3.657 0.03 . 1 . . . . 21 LEU HA . 6642 1 99 . 1 1 21 21 LEU C C 13 173.652 0.3 . 1 . . . . 21 LEU C . 6642 1 100 . 1 1 21 21 LEU CA C 13 52.936 0.3 . 1 . . . . 21 LEU CA . 6642 1 101 . 1 1 21 21 LEU N N 15 116.977 0.2 . 1 . . . . 21 LEU N . 6642 1 102 . 1 1 22 22 ALA H H 1 7.984 0.03 . 1 . . . . 22 ALA H . 6642 1 103 . 1 1 22 22 ALA HA H 1 3.915 0.03 . 1 . . . . 22 ALA HA . 6642 1 104 . 1 1 22 22 ALA C C 13 174.638 0.3 . 1 . . . . 22 ALA C . 6642 1 105 . 1 1 22 22 ALA CA C 13 50.127 0.3 . 1 . . . . 22 ALA CA . 6642 1 106 . 1 1 22 22 ALA N N 15 118.582 0.2 . 1 . . . . 22 ALA N . 6642 1 107 . 1 1 23 23 LEU H H 1 7.068 0.03 . 1 . . . . 23 LEU H . 6642 1 108 . 1 1 23 23 LEU HA H 1 4.385 0.03 . 1 . . . . 23 LEU HA . 6642 1 109 . 1 1 23 23 LEU C C 13 172.007 0.3 . 1 . . . . 23 LEU C . 6642 1 110 . 1 1 23 23 LEU CA C 13 51.234 0.3 . 1 . . . . 23 LEU CA . 6642 1 111 . 1 1 23 23 LEU N N 15 119.817 0.2 . 1 . . . . 23 LEU N . 6642 1 112 . 1 1 24 24 PRO HA H 1 4.459 0.03 . 1 . . . . 24 PRO HA . 6642 1 113 . 1 1 24 24 PRO C C 13 175.519 0.3 . 1 . . . . 24 PRO C . 6642 1 114 . 1 1 24 24 PRO CA C 13 60.126 0.3 . 1 . . . . 24 PRO CA . 6642 1 115 . 1 1 25 25 GLU H H 1 8.811 0.03 . 1 . . . . 25 GLU H . 6642 1 116 . 1 1 25 25 GLU HA H 1 3.776 0.03 . 1 . . . . 25 GLU HA . 6642 1 117 . 1 1 25 25 GLU C C 13 175.743 0.3 . 1 . . . . 25 GLU C . 6642 1 118 . 1 1 25 25 GLU CA C 13 57.744 0.3 . 1 . . . . 25 GLU CA . 6642 1 119 . 1 1 25 25 GLU N N 15 122.577 0.2 . 1 . . . . 25 GLU N . 6642 1 120 . 1 1 26 26 ASP H H 1 8.908 0.03 . 1 . . . . 26 ASP H . 6642 1 121 . 1 1 26 26 ASP HA H 1 4.255 0.03 . 1 . . . . 26 ASP HA . 6642 1 122 . 1 1 26 26 ASP C C 13 176.072 0.3 . 1 . . . . 26 ASP C . 6642 1 123 . 1 1 26 26 ASP CA C 13 54.484 0.3 . 1 . . . . 26 ASP CA . 6642 1 124 . 1 1 26 26 ASP N N 15 116.65 0.2 . 1 . . . . 26 ASP N . 6642 1 125 . 1 1 27 27 LEU H H 1 7.261 0.03 . 1 . . . . 27 LEU H . 6642 1 126 . 1 1 27 27 LEU HA H 1 4.155 0.03 . 1 . . . . 27 LEU HA . 6642 1 127 . 1 1 27 27 LEU C C 13 177.166 0.3 . 1 . . . . 27 LEU C . 6642 1 128 . 1 1 27 27 LEU CA C 13 54.716 0.3 . 1 . . . . 27 LEU CA . 6642 1 129 . 1 1 27 27 LEU N N 15 120.788 0.2 . 1 . . . . 27 LEU N . 6642 1 130 . 1 1 28 28 ILE H H 1 7.887 0.03 . 1 . . . . 28 ILE H . 6642 1 131 . 1 1 28 28 ILE HA H 1 3.284 0.03 . 1 . . . . 28 ILE HA . 6642 1 132 . 1 1 28 28 ILE C C 13 175.205 0.3 . 1 . . . . 28 ILE C . 6642 1 133 . 1 1 28 28 ILE CA C 13 64.069 0.3 . 1 . . . . 28 ILE CA . 6642 1 134 . 1 1 28 28 ILE N N 15 121.589 0.2 . 1 . . . . 28 ILE N . 6642 1 135 . 1 1 29 29 LYS H H 1 7.858 0.03 . 1 . . . . 29 LYS H . 6642 1 136 . 1 1 29 29 LYS HA H 1 3.776 0.03 . 1 . . . . 29 LYS HA . 6642 1 137 . 1 1 29 29 LYS C C 13 176.191 0.3 . 1 . . . . 29 LYS C . 6642 1 138 . 1 1 29 29 LYS CA C 13 57.257 0.3 . 1 . . . . 29 LYS CA . 6642 1 139 . 1 1 29 29 LYS N N 15 117.527 0.2 . 1 . . . . 29 LYS N . 6642 1 140 . 1 1 30 30 MET H H 1 7.236 0.03 . 1 . . . . 30 MET H . 6642 1 141 . 1 1 30 30 MET HA H 1 4.268 0.03 . 1 . . . . 30 MET HA . 6642 1 142 . 1 1 30 30 MET C C 13 175.265 0.3 . 1 . . . . 30 MET C . 6642 1 143 . 1 1 30 30 MET CA C 13 55.028 0.3 . 1 . . . . 30 MET CA . 6642 1 144 . 1 1 30 30 MET N N 15 115.577 0.2 . 1 . . . . 30 MET N . 6642 1 145 . 1 1 31 31 ALA H H 1 8.059 0.03 . 1 . . . . 31 ALA H . 6642 1 146 . 1 1 31 31 ALA HA H 1 4.258 0.03 . 1 . . . . 31 ALA HA . 6642 1 147 . 1 1 31 31 ALA C C 13 177.968 0.3 . 1 . . . . 31 ALA C . 6642 1 148 . 1 1 31 31 ALA CA C 13 51.436 0.3 . 1 . . . . 31 ALA CA . 6642 1 149 . 1 1 31 31 ALA N N 15 121.089 0.2 . 1 . . . . 31 ALA N . 6642 1 150 . 1 1 32 32 ARG H H 1 7.991 0.03 . 1 . . . . 32 ARG H . 6642 1 151 . 1 1 32 32 ARG HA H 1 3.989 0.03 . 1 . . . . 32 ARG HA . 6642 1 152 . 1 1 32 32 ARG C C 13 173.622 0.3 . 1 . . . . 32 ARG C . 6642 1 153 . 1 1 32 32 ARG CA C 13 57.019 0.3 . 1 . . . . 32 ARG CA . 6642 1 154 . 1 1 32 32 ARG N N 15 116.728 0.2 . 1 . . . . 32 ARG N . 6642 1 155 . 1 1 33 33 ASP H H 1 8.01 0.03 . 1 . . . . 33 ASP H . 6642 1 156 . 1 1 33 33 ASP HA H 1 4.882 0.03 . 1 . . . . 33 ASP HA . 6642 1 157 . 1 1 33 33 ASP C C 13 173.511 0.3 . 1 . . . . 33 ASP C . 6642 1 158 . 1 1 33 33 ASP CA C 13 52.041 0.3 . 1 . . . . 33 ASP CA . 6642 1 159 . 1 1 33 33 ASP N N 15 117.394 0.2 . 1 . . . . 33 ASP N . 6642 1 160 . 1 1 34 34 ILE H H 1 7.579 0.03 . 1 . . . . 34 ILE H . 6642 1 161 . 1 1 34 34 ILE HA H 1 4.114 0.03 . 1 . . . . 34 ILE HA . 6642 1 162 . 1 1 34 34 ILE C C 13 173.123 0.3 . 1 . . . . 34 ILE C . 6642 1 163 . 1 1 34 34 ILE CA C 13 58.472 0.3 . 1 . . . . 34 ILE CA . 6642 1 164 . 1 1 34 34 ILE N N 15 120.904 0.2 . 1 . . . . 34 ILE N . 6642 1 165 . 1 1 35 35 LYS H H 1 8.769 0.03 . 1 . . . . 35 LYS H . 6642 1 166 . 1 1 35 35 LYS HA H 1 4.679 0.03 . 1 . . . . 35 LYS HA . 6642 1 167 . 1 1 35 35 LYS C C 13 171.802 0.3 . 1 . . . . 35 LYS C . 6642 1 168 . 1 1 35 35 LYS CA C 13 50.477 0.3 . 1 . . . . 35 LYS CA . 6642 1 169 . 1 1 35 35 LYS N N 15 129.463 0.2 . 1 . . . . 35 LYS N . 6642 1 170 . 1 1 36 36 PRO HA H 1 4.584 0.03 . 1 . . . . 36 PRO HA . 6642 1 171 . 1 1 36 36 PRO C C 13 171.931 0.3 . 1 . . . . 36 PRO C . 6642 1 172 . 1 1 36 36 PRO CA C 13 60.854 0.3 . 1 . . . . 36 PRO CA . 6642 1 173 . 1 1 37 37 ILE H H 1 8.038 0.03 . 1 . . . . 37 ILE H . 6642 1 174 . 1 1 37 37 ILE HA H 1 4.853 0.03 . 1 . . . . 37 ILE HA . 6642 1 175 . 1 1 37 37 ILE C C 13 173.085 0.3 . 1 . . . . 37 ILE C . 6642 1 176 . 1 1 37 37 ILE CA C 13 57.843 0.3 . 1 . . . . 37 ILE CA . 6642 1 177 . 1 1 37 37 ILE N N 15 118.703 0.2 . 1 . . . . 37 ILE N . 6642 1 178 . 1 1 38 38 VAL H H 1 9.574 0.03 . 1 . . . . 38 VAL H . 6642 1 179 . 1 1 38 38 VAL HA H 1 5.039 0.03 . 1 . . . . 38 VAL HA . 6642 1 180 . 1 1 38 38 VAL C C 13 172.592 0.3 . 1 . . . . 38 VAL C . 6642 1 181 . 1 1 38 38 VAL CA C 13 58.773 0.3 . 1 . . . . 38 VAL CA . 6642 1 182 . 1 1 38 38 VAL N N 15 128.961 0.2 . 1 . . . . 38 VAL N . 6642 1 183 . 1 1 39 39 GLU H H 1 9.624 0.03 . 1 . . . . 39 GLU H . 6642 1 184 . 1 1 39 39 GLU HA H 1 5.374 0.03 . 1 . . . . 39 GLU HA . 6642 1 185 . 1 1 39 39 GLU C C 13 173.744 0.3 . 1 . . . . 39 GLU C . 6642 1 186 . 1 1 39 39 GLU CA C 13 52.209 0.3 . 1 . . . . 39 GLU CA . 6642 1 187 . 1 1 39 39 GLU N N 15 128.503 0.2 . 1 . . . . 39 GLU N . 6642 1 188 . 1 1 40 40 ILE H H 1 9.582 0.03 . 1 . . . . 40 ILE H . 6642 1 189 . 1 1 40 40 ILE HA H 1 5.119 0.03 . 1 . . . . 40 ILE HA . 6642 1 190 . 1 1 40 40 ILE C C 13 173.400 0.3 . 1 . . . . 40 ILE C . 6642 1 191 . 1 1 40 40 ILE CA C 13 58.713 0.3 . 1 . . . . 40 ILE CA . 6642 1 192 . 1 1 40 40 ILE N N 15 125.803 0.2 . 1 . . . . 40 ILE N . 6642 1 193 . 1 1 41 41 GLN H H 1 9.238 0.03 . 1 . . . . 41 GLN H . 6642 1 194 . 1 1 41 41 GLN HA H 1 4.654 0.03 . 1 . . . . 41 GLN HA . 6642 1 195 . 1 1 41 41 GLN C C 13 171.068 0.3 . 1 . . . . 41 GLN C . 6642 1 196 . 1 1 41 41 GLN CA C 13 52.456 0.3 . 1 . . . . 41 GLN CA . 6642 1 197 . 1 1 41 41 GLN N N 15 128.102 0.2 . 1 . . . . 41 GLN N . 6642 1 198 . 1 1 42 42 GLN H H 1 8.241 0.03 . 1 . . . . 42 GLN H . 6642 1 199 . 1 1 42 42 GLN HA H 1 4.334 0.03 . 1 . . . . 42 GLN HA . 6642 1 200 . 1 1 42 42 GLN C C 13 172.054 0.3 . 1 . . . . 42 GLN C . 6642 1 201 . 1 1 42 42 GLN CA C 13 51.729 0.3 . 1 . . . . 42 GLN CA . 6642 1 202 . 1 1 42 42 GLN N N 15 125.858 0.2 . 1 . . . . 42 GLN N . 6642 1 203 . 1 1 43 43 LYS H H 1 8.799 0.03 . 1 . . . . 43 LYS H . 6642 1 204 . 1 1 43 43 LYS HA H 1 4.317 0.03 . 1 . . . . 43 LYS HA . 6642 1 205 . 1 1 43 43 LYS C C 13 173.607 0.3 . 1 . . . . 43 LYS C . 6642 1 206 . 1 1 43 43 LYS CA C 13 52.922 0.3 . 1 . . . . 43 LYS CA . 6642 1 207 . 1 1 43 43 LYS N N 15 130.378 0.2 . 1 . . . . 43 LYS N . 6642 1 208 . 1 1 44 44 GLY H H 1 8.926 0.03 . 1 . . . . 44 GLY H . 6642 1 209 . 1 1 44 44 GLY HA2 H 1 3.519 0.03 . 2 . . . . 44 GLY HA . 6642 1 210 . 1 1 44 44 GLY HA3 H 1 3.519 0.03 . 2 . . . . 44 GLY HA . 6642 1 211 . 1 1 44 44 GLY C C 13 171.447 0.3 . 1 . . . . 44 GLY C . 6642 1 212 . 1 1 44 44 GLY CA C 13 45.019 0.3 . 1 . . . . 44 GLY CA . 6642 1 213 . 1 1 44 44 GLY N N 15 117.572 0.2 . 1 . . . . 44 GLY N . 6642 1 214 . 1 1 45 45 ASP H H 1 8.812 0.03 . 1 . . . . 45 ASP H . 6642 1 215 . 1 1 45 45 ASP HA H 1 4.777 0.03 . 1 . . . . 45 ASP HA . 6642 1 216 . 1 1 45 45 ASP C C 13 171.918 0.3 . 1 . . . . 45 ASP C . 6642 1 217 . 1 1 45 45 ASP CA C 13 51.995 0.3 . 1 . . . . 45 ASP CA . 6642 1 218 . 1 1 45 45 ASP N N 15 127.669 0.2 . 1 . . . . 45 ASP N . 6642 1 219 . 1 1 46 46 ASP H H 1 8.022 0.03 . 1 . . . . 46 ASP H . 6642 1 220 . 1 1 46 46 ASP HA H 1 5.212 0.03 . 1 . . . . 46 ASP HA . 6642 1 221 . 1 1 46 46 ASP C C 13 172.571 0.3 . 1 . . . . 46 ASP C . 6642 1 222 . 1 1 46 46 ASP CA C 13 51.771 0.3 . 1 . . . . 46 ASP CA . 6642 1 223 . 1 1 46 46 ASP N N 15 120.443 0.2 . 1 . . . . 46 ASP N . 6642 1 224 . 1 1 47 47 PHE H H 1 9.2 0.03 . 1 . . . . 47 PHE H . 6642 1 225 . 1 1 47 47 PHE HA H 1 4.986 0.03 . 1 . . . . 47 PHE HA . 6642 1 226 . 1 1 47 47 PHE C C 13 174.04 0.3 . 1 . . . . 47 PHE C . 6642 1 227 . 1 1 47 47 PHE CA C 13 54.179 0.3 . 1 . . . . 47 PHE CA . 6642 1 228 . 1 1 47 47 PHE N N 15 122.089 0.2 . 1 . . . . 47 PHE N . 6642 1 229 . 1 1 48 48 VAL H H 1 8.473 0.03 . 1 . . . . 48 VAL H . 6642 1 230 . 1 1 48 48 VAL HA H 1 4.427 0.03 . 1 . . . . 48 VAL HA . 6642 1 231 . 1 1 48 48 VAL C C 13 173.085 0.3 . 1 . . . . 48 VAL C . 6642 1 232 . 1 1 48 48 VAL CA C 13 60.451 0.3 . 1 . . . . 48 VAL CA . 6642 1 233 . 1 1 48 48 VAL N N 15 121.452 0.2 . 1 . . . . 48 VAL N . 6642 1 234 . 1 1 49 49 VAL H H 1 9.316 0.03 . 1 . . . . 49 VAL H . 6642 1 235 . 1 1 49 49 VAL HA H 1 5.014 0.03 . 1 . . . . 49 VAL HA . 6642 1 236 . 1 1 49 49 VAL C C 13 173.518 0.3 . 1 . . . . 49 VAL C . 6642 1 237 . 1 1 49 49 VAL CA C 13 59.115 0.3 . 1 . . . . 49 VAL CA . 6642 1 238 . 1 1 49 49 VAL N N 15 128.201 0.2 . 1 . . . . 49 VAL N . 6642 1 239 . 1 1 50 50 THR H H 1 9.727 0.03 . 1 . . . . 50 THR H . 6642 1 240 . 1 1 50 50 THR HA H 1 5.432 0.03 . 1 . . . . 50 THR HA . 6642 1 241 . 1 1 50 50 THR C C 13 171.147 0.3 . 1 . . . . 50 THR C . 6642 1 242 . 1 1 50 50 THR CA C 13 59.087 0.3 . 1 . . . . 50 THR CA . 6642 1 243 . 1 1 50 50 THR N N 15 128.055 0.2 . 1 . . . . 50 THR N . 6642 1 244 . 1 1 51 51 SER H H 1 9.335 0.03 . 1 . . . . 51 SER H . 6642 1 245 . 1 1 51 51 SER HA H 1 5.325 0.03 . 1 . . . . 51 SER HA . 6642 1 246 . 1 1 51 51 SER CA C 13 54.634 0.3 . 1 . . . . 51 SER CA . 6642 1 247 . 1 1 51 51 SER N N 15 122.484 0.2 . 1 . . . . 51 SER N . 6642 1 248 . 1 1 52 52 LYS H H 1 9.64 0.03 . 1 . . . . 52 LYS H . 6642 1 249 . 1 1 52 52 LYS HA H 1 5.1 0.03 . 1 . . . . 52 LYS HA . 6642 1 250 . 1 1 52 52 LYS C C 13 173.352 0.3 . 1 . . . . 52 LYS C . 6642 1 251 . 1 1 52 52 LYS CA C 13 53.947 0.3 . 1 . . . . 52 LYS CA . 6642 1 252 . 1 1 52 52 LYS N N 15 126.713 0.2 . 1 . . . . 52 LYS N . 6642 1 253 . 1 1 53 53 THR H H 1 8.453 0.03 . 1 . . . . 53 THR H . 6642 1 254 . 1 1 53 53 THR HA H 1 4.926 0.03 . 1 . . . . 53 THR HA . 6642 1 255 . 1 1 53 53 THR C C 13 170.576 0.3 . 1 . . . . 53 THR C . 6642 1 256 . 1 1 53 53 THR CA C 13 56.831 0.3 . 1 . . . . 53 THR CA . 6642 1 257 . 1 1 53 53 THR N N 15 116.286 0.2 . 1 . . . . 53 THR N . 6642 1 258 . 1 1 54 54 PRO HA H 1 4.27 0.03 . 1 . . . . 54 PRO HA . 6642 1 259 . 1 1 54 54 PRO C C 13 175.047 0.3 . 1 . . . . 54 PRO C . 6642 1 260 . 1 1 54 54 PRO CA C 13 63.478 0.3 . 1 . . . . 54 PRO CA . 6642 1 261 . 1 1 55 55 ARG H H 1 8.009 0.03 . 1 . . . . 55 ARG H . 6642 1 262 . 1 1 55 55 ARG HA H 1 4.352 0.03 . 1 . . . . 55 ARG HA . 6642 1 263 . 1 1 55 55 ARG C C 13 173.548 0.3 . 1 . . . . 55 ARG C . 6642 1 264 . 1 1 55 55 ARG CA C 13 53.778 0.3 . 1 . . . . 55 ARG CA . 6642 1 265 . 1 1 55 55 ARG N N 15 111.721 0.2 . 1 . . . . 55 ARG N . 6642 1 266 . 1 1 56 56 GLN H H 1 7.589 0.03 . 1 . . . . 56 GLN H . 6642 1 267 . 1 1 56 56 GLN HA H 1 4.61 0.03 . 1 . . . . 56 GLN HA . 6642 1 268 . 1 1 56 56 GLN C C 13 171.7 0.3 . 1 . . . . 56 GLN C . 6642 1 269 . 1 1 56 56 GLN CA C 13 53.637 0.3 . 1 . . . . 56 GLN CA . 6642 1 270 . 1 1 56 56 GLN N N 15 118.164 0.2 . 1 . . . . 56 GLN N . 6642 1 271 . 1 1 57 57 THR H H 1 8.835 0.03 . 1 . . . . 57 THR H . 6642 1 272 . 1 1 57 57 THR HA H 1 5.22 0.03 . 1 . . . . 57 THR HA . 6642 1 273 . 1 1 57 57 THR C C 13 170.998 0.3 . 1 . . . . 57 THR C . 6642 1 274 . 1 1 57 57 THR CA C 13 59.979 0.3 . 1 . . . . 57 THR CA . 6642 1 275 . 1 1 57 57 THR N N 15 123.732 0.2 . 1 . . . . 57 THR N . 6642 1 276 . 1 1 58 58 VAL H H 1 8.832 0.03 . 1 . . . . 58 VAL H . 6642 1 277 . 1 1 58 58 VAL HA H 1 4.337 0.03 . 1 . . . . 58 VAL HA . 6642 1 278 . 1 1 58 58 VAL C C 13 172.279 0.3 . 1 . . . . 58 VAL C . 6642 1 279 . 1 1 58 58 VAL CA C 13 59.354 0.3 . 1 . . . . 58 VAL CA . 6642 1 280 . 1 1 58 58 VAL N N 15 127.672 0.2 . 1 . . . . 58 VAL N . 6642 1 281 . 1 1 59 59 THR H H 1 8.953 0.03 . 1 . . . . 59 THR H . 6642 1 282 . 1 1 59 59 THR HA H 1 5.153 0.03 . 1 . . . . 59 THR HA . 6642 1 283 . 1 1 59 59 THR C C 13 170.727 0.3 . 1 . . . . 59 THR C . 6642 1 284 . 1 1 59 59 THR CA C 13 59.596 0.3 . 1 . . . . 59 THR CA . 6642 1 285 . 1 1 59 59 THR N N 15 126.018 0.2 . 1 . . . . 59 THR N . 6642 1 286 . 1 1 60 60 ASN H H 1 9.223 0.03 . 1 . . . . 60 ASN H . 6642 1 287 . 1 1 60 60 ASN HA H 1 5.349 0.03 . 1 . . . . 60 ASN HA . 6642 1 288 . 1 1 60 60 ASN C C 13 170.5 0.3 . 1 . . . . 60 ASN C . 6642 1 289 . 1 1 60 60 ASN CA C 13 50.112 0.3 . 1 . . . . 60 ASN CA . 6642 1 290 . 1 1 60 60 ASN N N 15 125.541 0.2 . 1 . . . . 60 ASN N . 6642 1 291 . 1 1 61 61 SER H H 1 8.798 0.03 . 1 . . . . 61 SER H . 6642 1 292 . 1 1 61 61 SER HA H 1 4.837 0.03 . 1 . . . . 61 SER HA . 6642 1 293 . 1 1 61 61 SER C C 13 170.372 0.3 . 1 . . . . 61 SER C . 6642 1 294 . 1 1 61 61 SER CA C 13 54.356 0.3 . 1 . . . . 61 SER CA . 6642 1 295 . 1 1 61 61 SER N N 15 116.964 0.2 . 1 . . . . 61 SER N . 6642 1 296 . 1 1 62 62 PHE H H 1 8.166 0.03 . 1 . . . . 62 PHE H . 6642 1 297 . 1 1 62 62 PHE HA H 1 4.92 0.03 . 1 . . . . 62 PHE HA . 6642 1 298 . 1 1 62 62 PHE CA C 13 54.037 0.3 . 1 . . . . 62 PHE CA . 6642 1 299 . 1 1 62 62 PHE N N 15 118.554 0.2 . 1 . . . . 62 PHE N . 6642 1 300 . 1 1 63 63 THR H H 1 9.29 0.03 . 1 . . . . 63 THR H . 6642 1 301 . 1 1 63 63 THR HA H 1 5.431 0.03 . 1 . . . . 63 THR HA . 6642 1 302 . 1 1 63 63 THR CA C 13 58.745 0.3 . 1 . . . . 63 THR CA . 6642 1 303 . 1 1 63 63 THR N N 15 119.189 0.2 . 1 . . . . 63 THR N . 6642 1 304 . 1 1 64 64 LEU H H 1 9.054 0.03 . 1 . . . . 64 LEU H . 6642 1 305 . 1 1 64 64 LEU HA H 1 4.019 0.03 . 1 . . . . 64 LEU HA . 6642 1 306 . 1 1 64 64 LEU CA C 13 54.24 0.3 . 1 . . . . 64 LEU CA . 6642 1 307 . 1 1 64 64 LEU N N 15 125.198 0.2 . 1 . . . . 64 LEU N . 6642 1 308 . 1 1 65 65 GLY H H 1 8.845 0.03 . 1 . . . . 65 GLY H . 6642 1 309 . 1 1 65 65 GLY HA2 H 1 4.186 0.03 . 2 . . . . 65 GLY HA . 6642 1 310 . 1 1 65 65 GLY HA3 H 1 4.186 0.03 . 2 . . . . 65 GLY HA . 6642 1 311 . 1 1 65 65 GLY C C 13 171.947 0.3 . 1 . . . . 65 GLY C . 6642 1 312 . 1 1 65 65 GLY CA C 13 43.366 0.3 . 1 . . . . 65 GLY CA . 6642 1 313 . 1 1 65 65 GLY N N 15 108.444 0.2 . 1 . . . . 65 GLY N . 6642 1 314 . 1 1 66 66 LYS H H 1 7.807 0.03 . 1 . . . . 66 LYS H . 6642 1 315 . 1 1 66 66 LYS HA H 1 4.776 0.03 . 1 . . . . 66 LYS HA . 6642 1 316 . 1 1 66 66 LYS CA C 13 51.934 0.3 . 1 . . . . 66 LYS CA . 6642 1 317 . 1 1 66 66 LYS N N 15 120.498 0.2 . 1 . . . . 66 LYS N . 6642 1 318 . 1 1 67 67 GLU H H 1 8.674 0.03 . 1 . . . . 67 GLU H . 6642 1 319 . 1 1 67 67 GLU HA H 1 4.087 0.03 . 1 . . . . 67 GLU HA . 6642 1 320 . 1 1 67 67 GLU CA C 13 59.908 0.3 . 1 . . . . 67 GLU CA . 6642 1 321 . 1 1 67 67 GLU N N 15 124.06 0.2 . 1 . . . . 67 GLU N . 6642 1 322 . 1 1 68 68 ALA H H 1 9.166 0.03 . 1 . . . . 68 ALA H . 6642 1 323 . 1 1 68 68 ALA HA H 1 4.793 0.03 . 1 . . . . 68 ALA HA . 6642 1 324 . 1 1 68 68 ALA CA C 13 48.37 0.3 . 1 . . . . 68 ALA CA . 6642 1 325 . 1 1 68 68 ALA N N 15 127.715 0.2 . 1 . . . . 68 ALA N . 6642 1 326 . 1 1 69 69 ASP H H 1 8.467 0.03 . 1 . . . . 69 ASP H . 6642 1 327 . 1 1 69 69 ASP HA H 1 5.077 0.03 . 1 . . . . 69 ASP HA . 6642 1 328 . 1 1 69 69 ASP CA C 13 51.3 0.3 . 1 . . . . 69 ASP CA . 6642 1 329 . 1 1 69 69 ASP N N 15 121.504 0.2 . 1 . . . . 69 ASP N . 6642 1 330 . 1 1 70 70 ILE H H 1 8.913 0.03 . 1 . . . . 70 ILE H . 6642 1 331 . 1 1 70 70 ILE HA H 1 4.354 0.03 . 1 . . . . 70 ILE HA . 6642 1 332 . 1 1 70 70 ILE C C 13 172.951 0.3 . 1 . . . . 70 ILE C . 6642 1 333 . 1 1 70 70 ILE CA C 13 55.251 0.3 . 1 . . . . 70 ILE CA . 6642 1 334 . 1 1 70 70 ILE N N 15 126.502 0.2 . 1 . . . . 70 ILE N . 6642 1 335 . 1 1 71 71 THR H H 1 9.448 0.03 . 1 . . . . 71 THR H . 6642 1 336 . 1 1 71 71 THR CA C 13 59.803 0.3 . 1 . . . . 71 THR CA . 6642 1 337 . 1 1 71 71 THR N N 15 123.923 0.2 . 1 . . . . 71 THR N . 6642 1 338 . 1 1 72 72 THR H H 1 8.947 0.03 . 1 . . . . 72 THR H . 6642 1 339 . 1 1 72 72 THR HA H 1 5.078 0.03 . 1 . . . . 72 THR HA . 6642 1 340 . 1 1 72 72 THR CA C 13 58.6 0.3 . 1 . . . . 72 THR CA . 6642 1 341 . 1 1 72 72 THR N N 15 119.871 0.2 . 1 . . . . 72 THR N . 6642 1 342 . 1 1 73 73 MET HA H 1 4.226 0.03 . 1 . . . . 73 MET HA . 6642 1 343 . 1 1 74 74 ASP H H 1 8.299 0.03 . 1 . . . . 74 ASP H . 6642 1 344 . 1 1 74 74 ASP HA H 1 4.308 0.03 . 1 . . . . 74 ASP HA . 6642 1 345 . 1 1 74 74 ASP C C 13 173.966 0.3 . 1 . . . . 74 ASP C . 6642 1 346 . 1 1 74 74 ASP CA C 13 50.619 0.3 . 1 . . . . 74 ASP CA . 6642 1 347 . 1 1 74 74 ASP N N 15 114.872 0.2 . 1 . . . . 74 ASP N . 6642 1 348 . 1 1 75 75 GLY H H 1 8.147 0.03 . 1 . . . . 75 GLY H . 6642 1 349 . 1 1 75 75 GLY HA2 H 1 4.076 0.03 . 2 . . . . 75 GLY HA . 6642 1 350 . 1 1 75 75 GLY HA3 H 1 4.076 0.03 . 2 . . . . 75 GLY HA . 6642 1 351 . 1 1 75 75 GLY C C 13 171.947 0.3 . 1 . . . . 75 GLY C . 6642 1 352 . 1 1 75 75 GLY CA C 13 43.17 0.3 . 1 . . . . 75 GLY CA . 6642 1 353 . 1 1 75 75 GLY N N 15 108.544 0.2 . 1 . . . . 75 GLY N . 6642 1 354 . 1 1 76 76 LYS H H 1 7.44 0.03 . 1 . . . . 76 LYS H . 6642 1 355 . 1 1 76 76 LYS HA H 1 4.244 0.03 . 1 . . . . 76 LYS HA . 6642 1 356 . 1 1 76 76 LYS C C 13 171.462 0.3 . 1 . . . . 76 LYS C . 6642 1 357 . 1 1 76 76 LYS CA C 13 53.271 0.3 . 1 . . . . 76 LYS CA . 6642 1 358 . 1 1 76 76 LYS N N 15 121.621 0.2 . 1 . . . . 76 LYS N . 6642 1 359 . 1 1 77 77 LYS H H 1 7.94 0.03 . 1 . . . . 77 LYS H . 6642 1 360 . 1 1 77 77 LYS HA H 1 5.124 0.03 . 1 . . . . 77 LYS HA . 6642 1 361 . 1 1 77 77 LYS C C 13 174.002 0.3 . 1 . . . . 77 LYS C . 6642 1 362 . 1 1 77 77 LYS CA C 13 52.575 0.3 . 1 . . . . 77 LYS CA . 6642 1 363 . 1 1 77 77 LYS N N 15 118.149 0.2 . 1 . . . . 77 LYS N . 6642 1 364 . 1 1 78 78 LEU H H 1 9.137 0.03 . 1 . . . . 78 LEU H . 6642 1 365 . 1 1 78 78 LEU HA H 1 4.599 0.03 . 1 . . . . 78 LEU HA . 6642 1 366 . 1 1 78 78 LEU C C 13 173.484 0.3 . 1 . . . . 78 LEU C . 6642 1 367 . 1 1 78 78 LEU CA C 13 51.109 0.3 . 1 . . . . 78 LEU CA . 6642 1 368 . 1 1 78 78 LEU N N 15 125.576 0.2 . 1 . . . . 78 LEU N . 6642 1 369 . 1 1 79 79 LYS H H 1 8.499 0.03 . 1 . . . . 79 LYS H . 6642 1 370 . 1 1 79 79 LYS HA H 1 5.048 0.03 . 1 . . . . 79 LYS HA . 6642 1 371 . 1 1 79 79 LYS CA C 13 53.391 0.3 . 1 . . . . 79 LYS CA . 6642 1 372 . 1 1 79 79 LYS N N 15 124.285 0.2 . 1 . . . . 79 LYS N . 6642 1 373 . 1 1 80 80 CYS H H 1 9.213 0.03 . 1 . . . . 80 CYS H . 6642 1 374 . 1 1 80 80 CYS HA H 1 5.253 0.03 . 1 . . . . 80 CYS HA . 6642 1 375 . 1 1 80 80 CYS CA C 13 55.078 0.3 . 1 . . . . 80 CYS CA . 6642 1 376 . 1 1 80 80 CYS N N 15 124.456 0.2 . 1 . . . . 80 CYS N . 6642 1 377 . 1 1 81 81 THR H H 1 8.596 0.03 . 1 . . . . 81 THR H . 6642 1 378 . 1 1 81 81 THR HA H 1 4.685 0.03 . 1 . . . . 81 THR HA . 6642 1 379 . 1 1 81 81 THR N N 15 113.251 0.3 . 1 . . . . 81 THR N . 6642 1 380 . 1 1 82 82 VAL HA H 1 4.59 0.3 . 1 . . . . 82 VAL HA . 6642 1 381 . 1 1 82 82 VAL CA C 13 58.56 0.2 . 1 . . . . 82 VAL CA . 6642 1 382 . 1 1 83 83 HIS H H 1 8.689 0.03 . 1 . . . . 83 HIS H . 6642 1 383 . 1 1 83 83 HIS HA H 1 4.86 0.03 . 1 . . . . 83 HIS HA . 6642 1 384 . 1 1 83 83 HIS C C 13 170.1 0.3 . 1 . . . . 83 HIS C . 6642 1 385 . 1 1 83 83 HIS CA C 13 52.918 0.3 . 1 . . . . 83 HIS CA . 6642 1 386 . 1 1 83 83 HIS N N 15 124.067 0.2 . 1 . . . . 83 HIS N . 6642 1 387 . 1 1 84 84 LEU H H 1 8.722 0.03 . 1 . . . . 84 LEU H . 6642 1 388 . 1 1 84 84 LEU HA H 1 5.227 0.03 . 1 . . . . 84 LEU HA . 6642 1 389 . 1 1 84 84 LEU C C 13 173.88 0.3 . 1 . . . . 84 LEU C . 6642 1 390 . 1 1 84 84 LEU CA C 13 51.51 0.3 . 1 . . . . 84 LEU CA . 6642 1 391 . 1 1 84 84 LEU N N 15 123.12 0.2 . 1 . . . . 84 LEU N . 6642 1 392 . 1 1 85 85 ALA H H 1 9.095 0.03 . 1 . . . . 85 ALA H . 6642 1 393 . 1 1 85 85 ALA HA H 1 4.068 0.03 . 1 . . . . 85 ALA HA . 6642 1 394 . 1 1 85 85 ALA C C 13 174.897 0.3 . 1 . . . . 85 ALA C . 6642 1 395 . 1 1 85 85 ALA CA C 13 49.033 0.3 . 1 . . . . 85 ALA CA . 6642 1 396 . 1 1 85 85 ALA N N 15 129.345 0.2 . 1 . . . . 85 ALA N . 6642 1 397 . 1 1 86 86 ASN H H 1 8.226 0.03 . 1 . . . . 86 ASN H . 6642 1 398 . 1 1 86 86 ASN HA H 1 4.327 0.03 . 1 . . . . 86 ASN HA . 6642 1 399 . 1 1 86 86 ASN CA C 13 51.7 0.3 . 1 . . . . 86 ASN CA . 6642 1 400 . 1 1 86 86 ASN N N 15 119.864 0.2 . 1 . . . . 86 ASN N . 6642 1 401 . 1 1 87 87 GLY H H 1 8.592 0.03 . 1 . . . . 87 GLY H . 6642 1 402 . 1 1 87 87 GLY HA2 H 1 3.636 0.03 . 2 . . . . 87 GLY HA . 6642 1 403 . 1 1 87 87 GLY HA3 H 1 3.636 0.03 . 2 . . . . 87 GLY HA . 6642 1 404 . 1 1 87 87 GLY C C 13 170.708 0.3 . 1 . . . . 87 GLY C . 6642 1 405 . 1 1 87 87 GLY CA C 13 43.212 0.3 . 1 . . . . 87 GLY CA . 6642 1 406 . 1 1 87 87 GLY N N 15 103.64 0.2 . 1 . . . . 87 GLY N . 6642 1 407 . 1 1 88 88 LYS H H 1 7.889 0.03 . 1 . . . . 88 LYS H . 6642 1 408 . 1 1 88 88 LYS HA H 1 4.999 0.03 . 1 . . . . 88 LYS HA . 6642 1 409 . 1 1 88 88 LYS C C 13 172.488 0.3 . 1 . . . . 88 LYS C . 6642 1 410 . 1 1 88 88 LYS CA C 13 52.736 0.3 . 1 . . . . 88 LYS CA . 6642 1 411 . 1 1 88 88 LYS N N 15 120.696 0.2 . 1 . . . . 88 LYS N . 6642 1 412 . 1 1 89 89 LEU H H 1 8.471 0.03 . 1 . . . . 89 LEU H . 6642 1 413 . 1 1 89 89 LEU HA H 1 4.55 0.03 . 1 . . . . 89 LEU HA . 6642 1 414 . 1 1 89 89 LEU CA C 13 51.594 0.3 . 1 . . . . 89 LEU CA . 6642 1 415 . 1 1 89 89 LEU N N 15 126.526 0.2 . 1 . . . . 89 LEU N . 6642 1 416 . 1 1 91 91 THR H H 1 8.677 0.03 . 1 . . . . 91 THR H . 6642 1 417 . 1 1 91 91 THR HA H 1 4.78 0.03 . 1 . . . . 91 THR HA . 6642 1 418 . 1 1 91 91 THR CA C 13 59.2 0.3 . 1 . . . . 91 THR CA . 6642 1 419 . 1 1 91 91 THR N N 15 125.718 0.2 . 1 . . . . 91 THR N . 6642 1 420 . 1 1 92 92 LYS H H 1 8.849 0.03 . 1 . . . . 92 LYS H . 6642 1 421 . 1 1 92 92 LYS CA C 13 53.033 0.3 . 1 . . . . 92 LYS CA . 6642 1 422 . 1 1 92 92 LYS N N 15 125.383 0.2 . 1 . . . . 92 LYS N . 6642 1 423 . 1 1 93 93 SER HA H 1 4.254 0.03 . 1 . . . . 93 SER HA . 6642 1 424 . 1 1 93 93 SER CA C 13 57.4 0.3 . 1 . . . . 93 SER CA . 6642 1 425 . 1 1 94 94 GLU HA H 1 4.039 0.03 . 1 . . . . 94 GLU HA . 6642 1 426 . 1 1 94 94 GLU CA C 13 57.5 0.3 . 1 . . . . 94 GLU CA . 6642 1 427 . 1 1 96 96 PHE H H 1 7.477 0.03 . 1 . . . . 96 PHE H . 6642 1 428 . 1 1 96 96 PHE HA H 1 5.603 0.03 . 1 . . . . 96 PHE HA . 6642 1 429 . 1 1 96 96 PHE CA C 13 53.98 0.3 . 1 . . . . 96 PHE CA . 6642 1 430 . 1 1 96 96 PHE N N 15 120.632 0.2 . 1 . . . . 96 PHE N . 6642 1 431 . 1 1 97 97 SER H H 1 8.148 0.03 . 1 . . . . 97 SER H . 6642 1 432 . 1 1 97 97 SER HA H 1 4.83 0.03 . 1 . . . . 97 SER HA . 6642 1 433 . 1 1 97 97 SER CA C 13 54.4 0.3 . 1 . . . . 97 SER CA . 6642 1 434 . 1 1 97 97 SER N N 15 119.584 0.2 . 1 . . . . 97 SER N . 6642 1 435 . 1 1 98 98 HIS H H 1 8.774 0.03 . 1 . . . . 98 HIS H . 6642 1 436 . 1 1 98 98 HIS N N 15 125.656 0.2 . 1 . . . . 98 HIS N . 6642 1 437 . 1 1 101 101 GLU H H 1 8.66 0.03 . 1 . . . . 101 GLU H . 6642 1 438 . 1 1 101 101 GLU N N 15 122.592 0.2 . 1 . . . . 101 GLU N . 6642 1 439 . 1 1 102 102 VAL H H 1 8.773 0.03 . 1 . . . . 102 VAL H . 6642 1 440 . 1 1 102 102 VAL HA H 1 4.517 0.03 . 1 . . . . 102 VAL HA . 6642 1 441 . 1 1 102 102 VAL C C 13 172.935 0.3 . 1 . . . . 102 VAL C . 6642 1 442 . 1 1 102 102 VAL CA C 13 59.14 0.3 . 1 . . . . 102 VAL CA . 6642 1 443 . 1 1 102 102 VAL N N 15 126.884 0.2 . 1 . . . . 102 VAL N . 6642 1 444 . 1 1 103 103 LYS H H 1 8.948 0.03 . 1 . . . . 103 LYS H . 6642 1 445 . 1 1 103 103 LYS HA H 1 4.496 0.03 . 1 . . . . 103 LYS HA . 6642 1 446 . 1 1 103 103 LYS C C 13 174.306 0.3 . 1 . . . . 103 LYS C . 6642 1 447 . 1 1 103 103 LYS CA C 13 52.666 0.3 . 1 . . . . 103 LYS CA . 6642 1 448 . 1 1 103 103 LYS N N 15 129.431 0.2 . 1 . . . . 103 LYS N . 6642 1 449 . 1 1 104 104 GLY H H 1 9.104 0.03 . 1 . . . . 104 GLY H . 6642 1 450 . 1 1 104 104 GLY HA2 H 1 3.613 0.03 . 2 . . . . 104 GLY HA . 6642 1 451 . 1 1 104 104 GLY HA3 H 1 3.613 0.03 . 2 . . . . 104 GLY HA . 6642 1 452 . 1 1 104 104 GLY C C 13 171.53 0.3 . 1 . . . . 104 GLY C . 6642 1 453 . 1 1 104 104 GLY CA C 13 45.263 0.3 . 1 . . . . 104 GLY CA . 6642 1 454 . 1 1 104 104 GLY N N 15 116.974 0.2 . 1 . . . . 104 GLY N . 6642 1 455 . 1 1 105 105 ASN H H 1 8.914 0.03 . 1 . . . . 105 ASN H . 6642 1 456 . 1 1 105 105 ASN HA H 1 4.959 0.03 . 1 . . . . 105 ASN HA . 6642 1 457 . 1 1 105 105 ASN C C 13 171.043 0.3 . 1 . . . . 105 ASN C . 6642 1 458 . 1 1 105 105 ASN CA C 13 50.572 0.3 . 1 . . . . 105 ASN CA . 6642 1 459 . 1 1 105 105 ASN N N 15 125.509 0.2 . 1 . . . . 105 ASN N . 6642 1 460 . 1 1 106 106 GLU H H 1 8.102 0.03 . 1 . . . . 106 GLU H . 6642 1 461 . 1 1 106 106 GLU HA H 1 5.56 0.03 . 1 . . . . 106 GLU HA . 6642 1 462 . 1 1 106 106 GLU C C 13 171.343 0.3 . 1 . . . . 106 GLU C . 6642 1 463 . 1 1 106 106 GLU CA C 13 53.277 0.3 . 1 . . . . 106 GLU CA . 6642 1 464 . 1 1 106 106 GLU N N 15 120.347 0.2 . 1 . . . . 106 GLU N . 6642 1 465 . 1 1 107 107 MET H H 1 8.788 0.03 . 1 . . . . 107 MET H . 6642 1 466 . 1 1 107 107 MET HA H 1 5.13 0.03 . 1 . . . . 107 MET HA . 6642 1 467 . 1 1 107 107 MET C C 13 173.778 0.3 . 1 . . . . 107 MET C . 6642 1 468 . 1 1 107 107 MET CA C 13 51.632 0.3 . 1 . . . . 107 MET CA . 6642 1 469 . 1 1 107 107 MET N N 15 123.819 0.2 . 1 . . . . 107 MET N . 6642 1 470 . 1 1 108 108 VAL H H 1 8.974 0.03 . 1 . . . . 108 VAL H . 6642 1 471 . 1 1 108 108 VAL HA H 1 4.699 0.03 . 1 . . . . 108 VAL HA . 6642 1 472 . 1 1 108 108 VAL CA C 13 59.134 0.3 . 1 . . . . 108 VAL CA . 6642 1 473 . 1 1 108 108 VAL N N 15 126.784 0.2 . 1 . . . . 108 VAL N . 6642 1 474 . 1 1 109 109 GLU H H 1 9.243 0.03 . 1 . . . . 109 GLU H . 6642 1 475 . 1 1 109 109 GLU N N 15 127.815 0.2 . 1 . . . . 109 GLU N . 6642 1 476 . 1 1 110 110 THR H H 1 8.799 0.03 . 1 . . . . 110 THR H . 6642 1 477 . 1 1 110 110 THR CA C 13 59.317 0.3 . 1 . . . . 110 THR CA . 6642 1 478 . 1 1 110 110 THR N N 15 120.02 0.2 . 1 . . . . 110 THR N . 6642 1 479 . 1 1 111 111 ILE H H 1 9.501 0.03 . 1 . . . . 111 ILE H . 6642 1 480 . 1 1 111 111 ILE C C 13 171.416 0.3 . 1 . . . . 111 ILE C . 6642 1 481 . 1 1 111 111 ILE CA C 13 58.564 0.3 . 1 . . . . 111 ILE CA . 6642 1 482 . 1 1 111 111 ILE N N 15 132.311 0.2 . 1 . . . . 111 ILE N . 6642 1 483 . 1 1 112 112 THR H H 1 9.296 0.03 . 1 . . . . 112 THR H . 6642 1 484 . 1 1 112 112 THR HA H 1 5.638 0.03 . 1 . . . . 112 THR HA . 6642 1 485 . 1 1 112 112 THR C C 13 171.138 0.3 . 1 . . . . 112 THR C . 6642 1 486 . 1 1 112 112 THR CA C 13 58.881 0.3 . 1 . . . . 112 THR CA . 6642 1 487 . 1 1 112 112 THR N N 15 123.203 0.2 . 1 . . . . 112 THR N . 6642 1 488 . 1 1 113 113 PHE H H 1 9.078 0.03 . 1 . . . . 113 PHE H . 6642 1 489 . 1 1 113 113 PHE HA H 1 5.039 0.03 . 1 . . . . 113 PHE HA . 6642 1 490 . 1 1 113 113 PHE C C 13 173.413 0.3 . 1 . . . . 113 PHE C . 6642 1 491 . 1 1 113 113 PHE CA C 13 55.668 0.3 . 1 . . . . 113 PHE CA . 6642 1 492 . 1 1 113 113 PHE N N 15 126.117 0.2 . 1 . . . . 113 PHE N . 6642 1 493 . 1 1 114 114 GLY H H 1 8.49 0.03 . 1 . . . . 114 GLY H . 6642 1 494 . 1 1 114 114 GLY HA2 H 1 3.475 0.03 . 2 . . . . 114 GLY HA . 6642 1 495 . 1 1 114 114 GLY HA3 H 1 3.475 0.03 . 2 . . . . 114 GLY HA . 6642 1 496 . 1 1 114 114 GLY C C 13 172.92 0.3 . 1 . . . . 114 GLY C . 6642 1 497 . 1 1 114 114 GLY CA C 13 44.506 0.3 . 1 . . . . 114 GLY CA . 6642 1 498 . 1 1 114 114 GLY N N 15 115.845 0.2 . 1 . . . . 114 GLY N . 6642 1 499 . 1 1 115 115 GLY H H 1 8.482 0.03 . 1 . . . . 115 GLY H . 6642 1 500 . 1 1 115 115 GLY HA2 H 1 3.558 0.03 . 2 . . . . 115 GLY HA . 6642 1 501 . 1 1 115 115 GLY HA3 H 1 3.558 0.03 . 2 . . . . 115 GLY HA . 6642 1 502 . 1 1 115 115 GLY C C 13 171.316 0.3 . 1 . . . . 115 GLY C . 6642 1 503 . 1 1 115 115 GLY CA C 13 42.528 0.3 . 1 . . . . 115 GLY CA . 6642 1 504 . 1 1 115 115 GLY N N 15 105.727 0.2 . 1 . . . . 115 GLY N . 6642 1 505 . 1 1 116 116 VAL H H 1 8.018 0.03 . 1 . . . . 116 VAL H . 6642 1 506 . 1 1 116 116 VAL HA H 1 4.215 0.03 . 1 . . . . 116 VAL HA . 6642 1 507 . 1 1 116 116 VAL C C 13 172.009 0.3 . 1 . . . . 116 VAL C . 6642 1 508 . 1 1 116 116 VAL CA C 13 59.952 0.3 . 1 . . . . 116 VAL CA . 6642 1 509 . 1 1 116 116 VAL N N 15 123.893 0.2 . 1 . . . . 116 VAL N . 6642 1 510 . 1 1 117 117 THR H H 1 8.702 0.03 . 1 . . . . 117 THR H . 6642 1 511 . 1 1 117 117 THR HA H 1 5.172 0.03 . 1 . . . . 117 THR HA . 6642 1 512 . 1 1 117 117 THR C C 13 171.068 0.3 . 1 . . . . 117 THR C . 6642 1 513 . 1 1 117 117 THR CA C 13 59.884 0.3 . 1 . . . . 117 THR CA . 6642 1 514 . 1 1 117 117 THR N N 15 123.519 0.2 . 1 . . . . 117 THR N . 6642 1 515 . 1 1 118 118 LEU H H 1 9.588 0.03 . 1 . . . . 118 LEU H . 6642 1 516 . 1 1 118 118 LEU HA H 1 4.772 0.03 . 1 . . . . 118 LEU HA . 6642 1 517 . 1 1 118 118 LEU C C 13 172.262 0.3 . 1 . . . . 118 LEU C . 6642 1 518 . 1 1 118 118 LEU CA C 13 51.015 0.3 . 1 . . . . 118 LEU CA . 6642 1 519 . 1 1 118 118 LEU N N 15 132.538 0.2 . 1 . . . . 118 LEU N . 6642 1 520 . 1 1 119 119 ILE H H 1 7.856 0.03 . 1 . . . . 119 ILE H . 6642 1 521 . 1 1 119 119 ILE HA H 1 5.164 0.03 . 1 . . . . 119 ILE HA . 6642 1 522 . 1 1 119 119 ILE CA C 13 57.047 0.3 . 1 . . . . 119 ILE CA . 6642 1 523 . 1 1 119 119 ILE N N 15 125.628 0.2 . 1 . . . . 119 ILE N . 6642 1 524 . 1 1 120 120 ARG H H 1 9.228 0.03 . 1 . . . . 120 ARG H . 6642 1 525 . 1 1 120 120 ARG HA H 1 5.2 0.03 . 1 . . . . 120 ARG HA . 6642 1 526 . 1 1 120 120 ARG CA C 13 52.233 0.3 . 1 . . . . 120 ARG CA . 6642 1 527 . 1 1 120 120 ARG N N 15 126.573 0.2 . 1 . . . . 120 ARG N . 6642 1 528 . 1 1 121 121 ARG H H 1 8.899 0.03 . 1 . . . . 121 ARG H . 6642 1 529 . 1 1 121 121 ARG HA H 1 5.28 0.03 . 1 . . . . 121 ARG HA . 6642 1 530 . 1 1 121 121 ARG C C 13 172.228 0.3 . 1 . . . . 121 ARG C . 6642 1 531 . 1 1 121 121 ARG CA C 13 52.74 0.3 . 1 . . . . 121 ARG CA . 6642 1 532 . 1 1 121 121 ARG N N 15 126.509 0.2 . 1 . . . . 121 ARG N . 6642 1 533 . 1 1 122 122 SER H H 1 9.305 0.03 . 1 . . . . 122 SER H . 6642 1 534 . 1 1 122 122 SER HA H 1 5.595 0.03 . 1 . . . . 122 SER HA . 6642 1 535 . 1 1 122 122 SER C C 13 170.559 0.3 . 1 . . . . 122 SER C . 6642 1 536 . 1 1 122 122 SER CA C 13 55.483 0.3 . 1 . . . . 122 SER CA . 6642 1 537 . 1 1 122 122 SER N N 15 117.876 0.2 . 1 . . . . 122 SER N . 6642 1 538 . 1 1 123 123 LYS H H 1 8.35 0.03 . 1 . . . . 123 LYS H . 6642 1 539 . 1 1 123 123 LYS HA H 1 5.728 0.03 . 1 . . . . 123 LYS HA . 6642 1 540 . 1 1 123 123 LYS C C 13 173.169 0.3 . 1 . . . . 123 LYS C . 6642 1 541 . 1 1 123 123 LYS CA C 13 51.6 0.3 . 1 . . . . 123 LYS CA . 6642 1 542 . 1 1 123 123 LYS N N 15 118.553 0.2 . 1 . . . . 123 LYS N . 6642 1 543 . 1 1 124 124 ARG H H 1 8.284 0.03 . 1 . . . . 124 ARG H . 6642 1 544 . 1 1 124 124 ARG HA H 1 3.839 0.03 . 1 . . . . 124 ARG HA . 6642 1 545 . 1 1 124 124 ARG C C 13 174.084 0.3 . 1 . . . . 124 ARG C . 6642 1 546 . 1 1 124 124 ARG CA C 13 54.694 0.3 . 1 . . . . 124 ARG CA . 6642 1 547 . 1 1 124 124 ARG N N 15 125.842 0.2 . 1 . . . . 124 ARG N . 6642 1 548 . 1 1 125 125 VAL H H 1 8.32 0.03 . 1 . . . . 125 VAL H . 6642 1 549 . 1 1 125 125 VAL HA H 1 3.965 0.03 . 1 . . . . 125 VAL HA . 6642 1 550 . 1 1 125 125 VAL C C 13 178.767 0.3 . 1 . . . . 125 VAL C . 6642 1 551 . 1 1 125 125 VAL CA C 13 61.403 0.3 . 1 . . . . 125 VAL CA . 6642 1 552 . 1 1 125 125 VAL N N 15 129.753 0.2 . 1 . . . . 125 VAL N . 6642 1 stop_ save_