################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5626 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_number_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 5626 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 GLY C C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 2 . 1 1 1 1 GLY CA C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 3 . 1 1 2 2 PRO C C 13 176.393 0.10 . 1 . . . . . . . . 5626 1 4 . 1 1 2 2 PRO CA C 13 62.772 0.10 . 1 . . . . . . . . 5626 1 5 . 1 1 3 3 ALA H H 1 8.365 0.02 . 1 . . . . . . . . 5626 1 6 . 1 1 3 3 ALA C C 13 177.691 0.10 . 1 . . . . . . . . 5626 1 7 . 1 1 3 3 ALA CA C 13 51.919 0.10 . 1 . . . . . . . . 5626 1 8 . 1 1 3 3 ALA N N 15 124.084 0.20 . 1 . . . . . . . . 5626 1 9 . 1 1 4 4 THR H H 1 8.196 0.02 . 1 . . . . . . . . 5626 1 10 . 1 1 4 4 THR C C 13 173.619 0.10 . 1 . . . . . . . . 5626 1 11 . 1 1 4 4 THR CA C 13 63.207 0.10 . 1 . . . . . . . . 5626 1 12 . 1 1 4 4 THR N N 15 116.427 0.20 . 1 . . . . . . . . 5626 1 13 . 1 1 5 5 LYS H H 1 8.344 0.02 . 1 . . . . . . . . 5626 1 14 . 1 1 5 5 LYS C C 13 175.645 0.10 . 1 . . . . . . . . 5626 1 15 . 1 1 5 5 LYS CA C 13 55.707 0.10 . 1 . . . . . . . . 5626 1 16 . 1 1 5 5 LYS N N 15 125.041 0.20 . 1 . . . . . . . . 5626 1 17 . 1 1 6 6 SER H H 1 8.260 0.02 . 1 . . . . . . . . 5626 1 18 . 1 1 6 6 SER C C 13 175.417 0.10 . 1 . . . . . . . . 5626 1 19 . 1 1 6 6 SER CA C 13 56.540 0.10 . 1 . . . . . . . . 5626 1 20 . 1 1 6 6 SER N N 15 116.017 0.20 . 1 . . . . . . . . 5626 1 21 . 1 1 7 7 ARG H H 1 9.686 0.02 . 1 . . . . . . . . 5626 1 22 . 1 1 7 7 ARG C C 13 176.127 0.10 . 1 . . . . . . . . 5626 1 23 . 1 1 7 7 ARG CA C 13 56.407 0.10 . 1 . . . . . . . . 5626 1 24 . 1 1 7 7 ARG N N 15 126.134 0.20 . 1 . . . . . . . . 5626 1 25 . 1 1 8 8 VAL H H 1 8.562 0.02 . 1 . . . . . . . . 5626 1 26 . 1 1 8 8 VAL C C 13 175.494 0.10 . 1 . . . . . . . . 5626 1 27 . 1 1 8 8 VAL CA C 13 62.178 0.10 . 1 . . . . . . . . 5626 1 28 . 1 1 8 8 VAL N N 15 122.306 0.20 . 1 . . . . . . . . 5626 1 29 . 1 1 9 9 ALA H H 1 8.449 0.02 . 1 . . . . . . . . 5626 1 30 . 1 1 9 9 ALA C C 13 176.648 0.10 . 1 . . . . . . . . 5626 1 31 . 1 1 9 9 ALA CA C 13 51.919 0.10 . 1 . . . . . . . . 5626 1 32 . 1 1 9 9 ALA N N 15 129.963 0.20 . 1 . . . . . . . . 5626 1 33 . 1 1 10 10 ILE H H 1 7.558 0.02 . 1 . . . . . . . . 5626 1 34 . 1 1 10 10 ILE C C 13 174.911 0.10 . 1 . . . . . . . . 5626 1 35 . 1 1 10 10 ILE CA C 13 60.214 0.10 . 1 . . . . . . . . 5626 1 36 . 1 1 10 10 ILE N N 15 119.162 0.20 . 1 . . . . . . . . 5626 1 37 . 1 1 11 11 ASP H H 1 8.518 0.02 . 1 . . . . . . . . 5626 1 38 . 1 1 11 11 ASP C C 13 174.492 0.10 . 1 . . . . . . . . 5626 1 39 . 1 1 11 11 ASP CA C 13 54.319 0.10 . 1 . . . . . . . . 5626 1 40 . 1 1 11 11 ASP N N 15 125.724 0.20 . 1 . . . . . . . . 5626 1 41 . 1 1 12 12 TRP H H 1 7.150 0.02 . 1 . . . . . . . . 5626 1 42 . 1 1 12 12 TRP C C 13 172.289 0.10 . 1 . . . . . . . . 5626 1 43 . 1 1 12 12 TRP CA C 13 55.480 0.10 . 1 . . . . . . . . 5626 1 44 . 1 1 12 12 TRP N N 15 119.162 0.20 . 1 . . . . . . . . 5626 1 45 . 1 1 13 13 ASP H H 1 8.339 0.02 . 1 . . . . . . . . 5626 1 46 . 1 1 13 13 ASP C C 13 176.368 0.10 . 1 . . . . . . . . 5626 1 47 . 1 1 13 13 ASP CA C 13 53.145 0.10 . 1 . . . . . . . . 5626 1 48 . 1 1 13 13 ASP N N 15 119.709 0.20 . 1 . . . . . . . . 5626 1 49 . 1 1 14 14 ILE H H 1 8.402 0.02 . 1 . . . . . . . . 5626 1 50 . 1 1 14 14 ILE C C 13 172.794 0.10 . 1 . . . . . . . . 5626 1 51 . 1 1 14 14 ILE CA C 13 62.998 0.10 . 1 . . . . . . . . 5626 1 52 . 1 1 14 14 ILE N N 15 126.008 0.20 . 1 . . . . . . . . 5626 1 53 . 1 1 15 15 ASN H H 1 8.087 0.02 . 1 . . . . . . . . 5626 1 54 . 1 1 15 15 ASN C C 13 175.552 0.10 . 1 . . . . . . . . 5626 1 55 . 1 1 15 15 ASN CA C 13 53.396 0.10 . 1 . . . . . . . . 5626 1 56 . 1 1 15 15 ASN N N 15 115.493 0.20 . 1 . . . . . . . . 5626 1 57 . 1 1 16 16 ASP H H 1 7.930 0.02 . 1 . . . . . . . . 5626 1 58 . 1 1 16 16 ASP C C 13 176.229 0.10 . 1 . . . . . . . . 5626 1 59 . 1 1 16 16 ASP CA C 13 55.063 0.10 . 1 . . . . . . . . 5626 1 60 . 1 1 16 16 ASP N N 15 121.759 0.20 . 1 . . . . . . . . 5626 1 61 . 1 1 17 17 SER H H 1 8.654 0.02 . 1 . . . . . . . . 5626 1 62 . 1 1 17 17 SER C C 13 175.737 0.10 . 1 . . . . . . . . 5626 1 63 . 1 1 17 17 SER CA C 13 61.521 0.10 . 1 . . . . . . . . 5626 1 64 . 1 1 17 17 SER N N 15 115.607 0.20 . 1 . . . . . . . . 5626 1 65 . 1 1 18 18 LYS H H 1 7.711 0.02 . 1 . . . . . . . . 5626 1 66 . 1 1 18 18 LYS C C 13 174.215 0.10 . 1 . . . . . . . . 5626 1 67 . 1 1 18 18 LYS CA C 13 54.040 0.10 . 1 . . . . . . . . 5626 1 68 . 1 1 18 18 LYS N N 15 118.751 0.20 . 1 . . . . . . . . 5626 1 69 . 1 1 19 19 MET H H 1 8.443 0.02 . 1 . . . . . . . . 5626 1 70 . 1 1 19 19 MET C C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 71 . 1 1 19 19 MET CA C 13 52.329 0.10 . 1 . . . . . . . . 5626 1 72 . 1 1 19 19 MET N N 15 118.615 0.20 . 1 . . . . . . . . 5626 1 73 . 1 1 20 20 PRO C C 13 176.735 0.10 . 1 . . . . . . . . 5626 1 74 . 1 1 20 20 PRO CA C 13 62.154 0.10 . 1 . . . . . . . . 5626 1 75 . 1 1 21 21 SER H H 1 8.361 0.02 . 1 . . . . . . . . 5626 1 76 . 1 1 21 21 SER C C 13 174.230 0.10 . 1 . . . . . . . . 5626 1 77 . 1 1 21 21 SER CA C 13 57.184 0.10 . 1 . . . . . . . . 5626 1 78 . 1 1 21 21 SER N N 15 118.068 0.20 . 1 . . . . . . . . 5626 1 79 . 1 1 22 22 VAL H H 1 8.233 0.02 . 1 . . . . . . . . 5626 1 80 . 1 1 22 22 VAL C C 13 175.101 0.10 . 1 . . . . . . . . 5626 1 81 . 1 1 22 22 VAL CA C 13 59.912 0.10 . 1 . . . . . . . . 5626 1 82 . 1 1 22 22 VAL N N 15 118.888 0.20 . 1 . . . . . . . . 5626 1 83 . 1 1 23 23 GLY H H 1 8.284 0.02 . 1 . . . . . . . . 5626 1 84 . 1 1 23 23 GLY C C 13 172.881 0.10 . 1 . . . . . . . . 5626 1 85 . 1 1 23 23 GLY CA C 13 44.450 0.10 . 1 . . . . . . . . 5626 1 86 . 1 1 23 23 GLY N N 15 107.267 0.20 . 1 . . . . . . . . 5626 1 87 . 1 1 24 24 GLU H H 1 6.674 0.02 . 1 . . . . . . . . 5626 1 88 . 1 1 24 24 GLU C C 13 172.881 0.10 . 1 . . . . . . . . 5626 1 89 . 1 1 24 24 GLU CA C 13 54.609 0.10 . 1 . . . . . . . . 5626 1 90 . 1 1 24 24 GLU N N 15 118.751 0.20 . 1 . . . . . . . . 5626 1 91 . 1 1 25 25 PHE H H 1 8.113 0.02 . 1 . . . . . . . . 5626 1 92 . 1 1 25 25 PHE C C 13 176.621 0.10 . 1 . . . . . . . . 5626 1 93 . 1 1 25 25 PHE CA C 13 57.601 0.10 . 1 . . . . . . . . 5626 1 94 . 1 1 25 25 PHE N N 15 117.384 0.20 . 1 . . . . . . . . 5626 1 95 . 1 1 26 26 ASP H H 1 9.466 0.02 . 1 . . . . . . . . 5626 1 96 . 1 1 26 26 ASP C C 13 175.760 0.10 . 1 . . . . . . . . 5626 1 97 . 1 1 26 26 ASP CA C 13 55.740 0.10 . 1 . . . . . . . . 5626 1 98 . 1 1 26 26 ASP N N 15 121.212 0.20 . 1 . . . . . . . . 5626 1 99 . 1 1 27 27 ASP H H 1 8.476 0.02 . 1 . . . . . . . . 5626 1 100 . 1 1 27 27 ASP C C 13 175.925 0.10 . 1 . . . . . . . . 5626 1 101 . 1 1 27 27 ASP CA C 13 53.970 0.10 . 1 . . . . . . . . 5626 1 102 . 1 1 27 27 ASP N N 15 120.529 0.20 . 1 . . . . . . . . 5626 1 103 . 1 1 28 28 PHE H H 1 8.669 0.02 . 1 . . . . . . . . 5626 1 104 . 1 1 28 28 PHE C C 13 174.339 0.10 . 1 . . . . . . . . 5626 1 105 . 1 1 28 28 PHE CA C 13 61.181 0.10 . 1 . . . . . . . . 5626 1 106 . 1 1 28 28 PHE N N 15 122.443 0.20 . 1 . . . . . . . . 5626 1 107 . 1 1 29 29 ASN H H 1 6.175 0.02 . 1 . . . . . . . . 5626 1 108 . 1 1 29 29 ASN C C 13 173.708 0.10 . 1 . . . . . . . . 5626 1 109 . 1 1 29 29 ASN CA C 13 50.821 0.10 . 1 . . . . . . . . 5626 1 110 . 1 1 29 29 ASN N N 15 125.724 0.20 . 1 . . . . . . . . 5626 1 111 . 1 1 30 30 ASP H H 1 8.722 0.02 . 1 . . . . . . . . 5626 1 112 . 1 1 30 30 ASP C C 13 177.538 0.10 . 1 . . . . . . . . 5626 1 113 . 1 1 30 30 ASP CA C 13 56.349 0.10 . 1 . . . . . . . . 5626 1 114 . 1 1 30 30 ASP N N 15 123.942 0.20 . 1 . . . . . . . . 5626 1 115 . 1 1 31 31 TRP H H 1 8.066 0.02 . 1 . . . . . . . . 5626 1 116 . 1 1 31 31 TRP C C 13 175.710 0.10 . 1 . . . . . . . . 5626 1 117 . 1 1 31 31 TRP CA C 13 53.965 0.10 . 1 . . . . . . . . 5626 1 118 . 1 1 31 31 TRP N N 15 116.974 0.20 . 1 . . . . . . . . 5626 1 119 . 1 1 32 32 SER H H 1 6.908 0.02 . 1 . . . . . . . . 5626 1 120 . 1 1 32 32 SER C C 13 174.278 0.10 . 1 . . . . . . . . 5626 1 121 . 1 1 32 32 SER CA C 13 59.344 0.10 . 1 . . . . . . . . 5626 1 122 . 1 1 32 32 SER N N 15 116.427 0.20 . 1 . . . . . . . . 5626 1 123 . 1 1 33 33 ASN H H 1 9.013 0.02 . 1 . . . . . . . . 5626 1 124 . 1 1 33 33 ASN C C 13 174.013 0.10 . 1 . . . . . . . . 5626 1 125 . 1 1 33 33 ASN CA C 13 51.679 0.10 . 1 . . . . . . . . 5626 1 126 . 1 1 33 33 ASN N N 15 124.220 0.20 . 1 . . . . . . . . 5626 1 127 . 1 1 34 34 GLY H H 1 7.367 0.02 . 1 . . . . . . . . 5626 1 128 . 1 1 34 34 GLY C C 13 173.534 0.10 . 1 . . . . . . . . 5626 1 129 . 1 1 34 34 GLY CA C 13 44.381 0.10 . 1 . . . . . . . . 5626 1 130 . 1 1 34 34 GLY N N 15 109.591 0.20 . 1 . . . . . . . . 5626 1 131 . 1 1 35 35 HIS H H 1 8.140 0.02 . 1 . . . . . . . . 5626 1 132 . 1 1 35 35 HIS C C 13 173.189 0.10 . 1 . . . . . . . . 5626 1 133 . 1 1 35 35 HIS CA C 13 55.683 0.10 . 1 . . . . . . . . 5626 1 134 . 1 1 35 35 HIS N N 15 117.380 0.20 . 1 . . . . . . . . 5626 1 135 . 1 1 36 36 CYS H H 1 7.977 0.02 . 1 . . . . . . . . 5626 1 136 . 1 1 36 36 CYS C C 13 171.562 0.10 . 1 . . . . . . . . 5626 1 137 . 1 1 36 36 CYS CA C 13 55.856 0.10 . 1 . . . . . . . . 5626 1 138 . 1 1 36 36 CYS N N 15 120.232 0.20 . 1 . . . . . . . . 5626 1 139 . 1 1 37 37 ARG H H 1 7.907 0.02 . 1 . . . . . . . . 5626 1 140 . 1 1 37 37 ARG C C 13 174.861 0.10 . 1 . . . . . . . . 5626 1 141 . 1 1 37 37 ARG CA C 13 55.307 0.10 . 1 . . . . . . . . 5626 1 142 . 1 1 37 37 ARG N N 15 119.982 0.20 . 1 . . . . . . . . 5626 1 143 . 1 1 38 38 LEU H H 1 9.654 0.02 . 1 . . . . . . . . 5626 1 144 . 1 1 38 38 LEU C C 13 173.949 0.10 . 1 . . . . . . . . 5626 1 145 . 1 1 38 38 LEU CA C 13 54.145 0.10 . 1 . . . . . . . . 5626 1 146 . 1 1 38 38 LEU N N 15 125.041 0.20 . 1 . . . . . . . . 5626 1 147 . 1 1 39 39 ILE H H 1 9.064 0.02 . 1 . . . . . . . . 5626 1 148 . 1 1 39 39 ILE C C 13 174.215 0.10 . 1 . . . . . . . . 5626 1 149 . 1 1 39 39 ILE CA C 13 61.045 0.10 . 1 . . . . . . . . 5626 1 150 . 1 1 39 39 ILE N N 15 118.888 0.20 . 1 . . . . . . . . 5626 1 151 . 1 1 40 40 TYR H H 1 9.245 0.02 . 1 . . . . . . . . 5626 1 152 . 1 1 40 40 TYR C C 13 175.253 0.10 . 1 . . . . . . . . 5626 1 153 . 1 1 40 40 TYR CA C 13 53.459 0.10 . 1 . . . . . . . . 5626 1 154 . 1 1 40 40 TYR N N 15 125.861 0.20 . 1 . . . . . . . . 5626 1 155 . 1 1 41 41 SER H H 1 8.653 0.02 . 1 . . . . . . . . 5626 1 156 . 1 1 41 41 SER C C 13 176.842 0.10 . 1 . . . . . . . . 5626 1 157 . 1 1 41 41 SER CA C 13 56.755 0.10 . 1 . . . . . . . . 5626 1 158 . 1 1 41 41 SER N N 15 113.829 0.20 . 1 . . . . . . . . 5626 1 159 . 1 1 42 42 VAL H H 1 7.457 0.02 . 1 . . . . . . . . 5626 1 160 . 1 1 42 42 VAL C C 13 175.471 0.10 . 1 . . . . . . . . 5626 1 161 . 1 1 42 42 VAL CA C 13 63.435 0.10 . 1 . . . . . . . . 5626 1 162 . 1 1 42 42 VAL N N 15 121.076 0.20 . 1 . . . . . . . . 5626 1 163 . 1 1 43 43 GLN H H 1 7.954 0.02 . 1 . . . . . . . . 5626 1 164 . 1 1 43 43 GLN C C 13 176.320 0.10 . 1 . . . . . . . . 5626 1 165 . 1 1 43 43 GLN CA C 13 55.972 0.10 . 1 . . . . . . . . 5626 1 166 . 1 1 43 43 GLN N N 15 116.427 0.20 . 1 . . . . . . . . 5626 1 167 . 1 1 44 44 SER H H 1 7.299 0.02 . 1 . . . . . . . . 5626 1 168 . 1 1 44 44 SER C C 13 174.544 0.10 . 1 . . . . . . . . 5626 1 169 . 1 1 44 44 SER CA C 13 56.806 0.10 . 1 . . . . . . . . 5626 1 170 . 1 1 44 44 SER N N 15 113.829 0.20 . 1 . . . . . . . . 5626 1 171 . 1 1 45 45 ASP H H 1 8.659 0.02 . 1 . . . . . . . . 5626 1 172 . 1 1 45 45 ASP C C 13 177.560 0.10 . 1 . . . . . . . . 5626 1 173 . 1 1 45 45 ASP CA C 13 57.190 0.10 . 1 . . . . . . . . 5626 1 174 . 1 1 45 45 ASP N N 15 131.740 0.20 . 1 . . . . . . . . 5626 1 175 . 1 1 46 46 GLU H H 1 8.013 0.02 . 1 . . . . . . . . 5626 1 176 . 1 1 46 46 GLU C C 13 177.234 0.10 . 1 . . . . . . . . 5626 1 177 . 1 1 46 46 GLU CA C 13 59.268 0.10 . 1 . . . . . . . . 5626 1 178 . 1 1 46 46 GLU N N 15 116.564 0.20 . 1 . . . . . . . . 5626 1 179 . 1 1 47 47 ALA H H 1 7.075 0.02 . 1 . . . . . . . . 5626 1 180 . 1 1 47 47 ALA C C 13 180.085 0.10 . 1 . . . . . . . . 5626 1 181 . 1 1 47 47 ALA CA C 13 54.533 0.10 . 1 . . . . . . . . 5626 1 182 . 1 1 47 47 ALA N N 15 119.572 0.20 . 1 . . . . . . . . 5626 1 183 . 1 1 48 48 ARG H H 1 7.770 0.02 . 1 . . . . . . . . 5626 1 184 . 1 1 48 48 ARG C C 13 177.604 0.10 . 1 . . . . . . . . 5626 1 185 . 1 1 48 48 ARG CA C 13 59.268 0.10 . 1 . . . . . . . . 5626 1 186 . 1 1 48 48 ARG N N 15 116.427 0.20 . 1 . . . . . . . . 5626 1 187 . 1 1 49 49 LYS H H 1 6.883 0.02 . 1 . . . . . . . . 5626 1 188 . 1 1 49 49 LYS C C 13 174.970 0.10 . 1 . . . . . . . . 5626 1 189 . 1 1 49 49 LYS CA C 13 55.328 0.10 . 1 . . . . . . . . 5626 1 190 . 1 1 49 49 LYS N N 15 114.240 0.20 . 1 . . . . . . . . 5626 1 191 . 1 1 50 50 HIS H H 1 7.179 0.02 . 1 . . . . . . . . 5626 1 192 . 1 1 50 50 HIS C C 13 173.621 0.10 . 1 . . . . . . . . 5626 1 193 . 1 1 50 50 HIS CA C 13 53.624 0.10 . 1 . . . . . . . . 5626 1 194 . 1 1 50 50 HIS N N 15 118.068 0.20 . 1 . . . . . . . . 5626 1 195 . 1 1 51 51 ALA H H 1 7.195 0.02 . 1 . . . . . . . . 5626 1 196 . 1 1 51 51 ALA C C 13 176.537 0.10 . 1 . . . . . . . . 5626 1 197 . 1 1 51 51 ALA CA C 13 52.563 0.10 . 1 . . . . . . . . 5626 1 198 . 1 1 51 51 ALA N N 15 118.888 0.20 . 1 . . . . . . . . 5626 1 199 . 1 1 52 52 SER H H 1 7.670 0.02 . 1 . . . . . . . . 5626 1 200 . 1 1 52 52 SER C C 13 173.974 0.10 . 1 . . . . . . . . 5626 1 201 . 1 1 52 52 SER CA C 13 58.510 0.10 . 1 . . . . . . . . 5626 1 202 . 1 1 52 52 SER N N 15 109.318 0.20 . 1 . . . . . . . . 5626 1 203 . 1 1 53 53 GLY H H 1 8.925 0.02 . 1 . . . . . . . . 5626 1 204 . 1 1 53 53 GLY C C 13 175.819 0.10 . 1 . . . . . . . . 5626 1 205 . 1 1 53 53 GLY CA C 13 45.059 0.10 . 1 . . . . . . . . 5626 1 206 . 1 1 53 53 GLY N N 15 115.197 0.20 . 1 . . . . . . . . 5626 1 207 . 1 1 54 54 TRP H H 1 7.279 0.02 . 1 . . . . . . . . 5626 1 208 . 1 1 54 54 TRP C C 13 175.291 0.10 . 1 . . . . . . . . 5626 1 209 . 1 1 54 54 TRP CA C 13 55.645 0.10 . 1 . . . . . . . . 5626 1 210 . 1 1 54 54 TRP N N 15 120.666 0.20 . 1 . . . . . . . . 5626 1 211 . 1 1 55 55 ALA H H 1 9.357 0.02 . 1 . . . . . . . . 5626 1 212 . 1 1 55 55 ALA C C 13 173.164 0.10 . 1 . . . . . . . . 5626 1 213 . 1 1 55 55 ALA CA C 13 51.476 0.10 . 1 . . . . . . . . 5626 1 214 . 1 1 55 55 ALA N N 15 127.228 0.20 . 1 . . . . . . . . 5626 1 215 . 1 1 56 56 MET H H 1 7.385 0.02 . 1 . . . . . . . . 5626 1 216 . 1 1 56 56 MET C C 13 175.481 0.10 . 1 . . . . . . . . 5626 1 217 . 1 1 56 56 MET CA C 13 51.730 0.10 . 1 . . . . . . . . 5626 1 218 . 1 1 56 56 MET N N 15 121.486 0.20 . 1 . . . . . . . . 5626 1 219 . 1 1 57 57 ARG H H 1 9.199 0.02 . 1 . . . . . . . . 5626 1 220 . 1 1 57 57 ARG C C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 221 . 1 1 57 57 ARG CA C 13 53.622 0.10 . 1 . . . . . . . . 5626 1 222 . 1 1 57 57 ARG N N 15 121.896 0.20 . 1 . . . . . . . . 5626 1 223 . 1 1 58 58 ASN C C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 224 . 1 1 58 58 ASN CA C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 225 . 1 1 59 59 THR C C 13 174.752 0.10 . 1 . . . . . . . . 5626 1 226 . 1 1 59 59 THR CA C 13 61.503 0.10 . 1 . . . . . . . . 5626 1 227 . 1 1 60 60 ASN H H 1 7.727 0.02 . 1 . . . . . . . . 5626 1 228 . 1 1 60 60 ASN C C 13 174.937 0.10 . 1 . . . . . . . . 5626 1 229 . 1 1 60 60 ASN CA C 13 54.038 0.10 . 1 . . . . . . . . 5626 1 230 . 1 1 60 60 ASN N N 15 118.715 0.20 . 1 . . . . . . . . 5626 1 231 . 1 1 61 61 ASN H H 1 8.348 0.02 . 1 . . . . . . . . 5626 1 232 . 1 1 61 61 ASN C C 13 174.325 0.10 . 1 . . . . . . . . 5626 1 233 . 1 1 61 61 ASN CA C 13 51.540 0.10 . 1 . . . . . . . . 5626 1 234 . 1 1 61 61 ASN N N 15 122.306 0.20 . 1 . . . . . . . . 5626 1 235 . 1 1 62 62 HIS C C 13 174.448 0.10 . 1 . . . . . . . . 5626 1 236 . 1 1 62 62 HIS CA C 13 57.403 0.10 . 1 . . . . . . . . 5626 1 237 . 1 1 63 63 ASN H H 1 7.323 0.02 . 1 . . . . . . . . 5626 1 238 . 1 1 63 63 ASN C C 13 175.861 0.10 . 1 . . . . . . . . 5626 1 239 . 1 1 63 63 ASN CA C 13 52.108 0.10 . 1 . . . . . . . . 5626 1 240 . 1 1 63 63 ASN N N 15 117.384 0.20 . 1 . . . . . . . . 5626 1 241 . 1 1 64 64 VAL H H 1 8.295 0.02 . 1 . . . . . . . . 5626 1 242 . 1 1 64 64 VAL C C 13 176.127 0.10 . 1 . . . . . . . . 5626 1 243 . 1 1 64 64 VAL CA C 13 63.435 0.10 . 1 . . . . . . . . 5626 1 244 . 1 1 64 64 VAL N N 15 120.666 0.20 . 1 . . . . . . . . 5626 1 245 . 1 1 65 65 ASN H H 1 8.426 0.02 . 1 . . . . . . . . 5626 1 246 . 1 1 65 65 ASN C C 13 174.186 0.10 . 1 . . . . . . . . 5626 1 247 . 1 1 65 65 ASN CA C 13 54.002 0.10 . 1 . . . . . . . . 5626 1 248 . 1 1 65 65 ASN N N 15 116.290 0.20 . 1 . . . . . . . . 5626 1 249 . 1 1 66 66 ILE H H 1 7.543 0.02 . 1 . . . . . . . . 5626 1 250 . 1 1 66 66 ILE C C 13 174.506 0.10 . 1 . . . . . . . . 5626 1 251 . 1 1 66 66 ILE CA C 13 60.306 0.10 . 1 . . . . . . . . 5626 1 252 . 1 1 66 66 ILE N N 15 119.005 0.20 . 1 . . . . . . . . 5626 1 253 . 1 1 67 67 LEU H H 1 8.892 0.02 . 1 . . . . . . . . 5626 1 254 . 1 1 67 67 LEU C C 13 174.075 0.10 . 1 . . . . . . . . 5626 1 255 . 1 1 67 67 LEU CA C 13 54.377 0.10 . 1 . . . . . . . . 5626 1 256 . 1 1 67 67 LEU N N 15 130.646 0.20 . 1 . . . . . . . . 5626 1 257 . 1 1 68 68 LYS H H 1 8.919 0.02 . 1 . . . . . . . . 5626 1 258 . 1 1 68 68 LYS C C 13 174.987 0.10 . 1 . . . . . . . . 5626 1 259 . 1 1 68 68 LYS CA C 13 53.825 0.10 . 1 . . . . . . . . 5626 1 260 . 1 1 68 68 LYS N N 15 129.006 0.20 . 1 . . . . . . . . 5626 1 261 . 1 1 69 69 LYS H H 1 9.070 0.02 . 1 . . . . . . . . 5626 1 262 . 1 1 69 69 LYS C C 13 174.696 0.10 . 1 . . . . . . . . 5626 1 263 . 1 1 69 69 LYS CA C 13 54.201 0.10 . 1 . . . . . . . . 5626 1 264 . 1 1 69 69 LYS N N 15 122.716 0.20 . 1 . . . . . . . . 5626 1 265 . 1 1 70 70 SER H H 1 8.945 0.02 . 1 . . . . . . . . 5626 1 266 . 1 1 70 70 SER C C 13 173.469 0.10 . 1 . . . . . . . . 5626 1 267 . 1 1 70 70 SER CA C 13 56.349 0.10 . 1 . . . . . . . . 5626 1 268 . 1 1 70 70 SER N N 15 113.419 0.20 . 1 . . . . . . . . 5626 1 269 . 1 1 71 71 CYS H H 1 8.044 0.02 . 1 . . . . . . . . 5626 1 270 . 1 1 71 71 CYS C C 13 177.571 0.10 . 1 . . . . . . . . 5626 1 271 . 1 1 71 71 CYS CA C 13 60.972 0.10 . 1 . . . . . . . . 5626 1 272 . 1 1 71 71 CYS N N 15 125.998 0.20 . 1 . . . . . . . . 5626 1 273 . 1 1 72 72 LEU H H 1 9.316 0.02 . 1 . . . . . . . . 5626 1 274 . 1 1 72 72 LEU C C 13 176.216 0.10 . 1 . . . . . . . . 5626 1 275 . 1 1 72 72 LEU CA C 13 54.986 0.10 . 1 . . . . . . . . 5626 1 276 . 1 1 72 72 LEU N N 15 130.136 0.20 . 1 . . . . . . . . 5626 1 277 . 1 1 73 73 GLY H H 1 9.687 0.02 . 1 . . . . . . . . 5626 1 278 . 1 1 73 73 GLY C C 13 171.837 0.10 . 1 . . . . . . . . 5626 1 279 . 1 1 73 73 GLY CA C 13 43.037 0.10 . 1 . . . . . . . . 5626 1 280 . 1 1 73 73 GLY N N 15 112.052 0.20 . 1 . . . . . . . . 5626 1 281 . 1 1 74 74 VAL H H 1 7.374 0.02 . 1 . . . . . . . . 5626 1 282 . 1 1 74 74 VAL C C 13 174.013 0.10 . 1 . . . . . . . . 5626 1 283 . 1 1 74 74 VAL CA C 13 60.935 0.10 . 1 . . . . . . . . 5626 1 284 . 1 1 74 74 VAL N N 15 116.154 0.20 . 1 . . . . . . . . 5626 1 285 . 1 1 75 75 LEU H H 1 7.684 0.02 . 1 . . . . . . . . 5626 1 286 . 1 1 75 75 LEU C C 13 174.620 0.10 . 1 . . . . . . . . 5626 1 287 . 1 1 75 75 LEU CA C 13 58.510 0.10 . 1 . . . . . . . . 5626 1 288 . 1 1 75 75 LEU N N 15 124.220 0.20 . 1 . . . . . . . . 5626 1 289 . 1 1 76 76 LEU H H 1 8.951 0.02 . 1 . . . . . . . . 5626 1 290 . 1 1 76 76 LEU C C 13 173.099 0.10 . 1 . . . . . . . . 5626 1 291 . 1 1 76 76 LEU CA C 13 52.120 0.10 . 1 . . . . . . . . 5626 1 292 . 1 1 76 76 LEU N N 15 125.314 0.20 . 1 . . . . . . . . 5626 1 293 . 1 1 77 77 CYS H H 1 6.355 0.02 . 1 . . . . . . . . 5626 1 294 . 1 1 77 77 CYS C C 13 179.471 0.10 . 1 . . . . . . . . 5626 1 295 . 1 1 77 77 CYS CA C 13 51.351 0.10 . 1 . . . . . . . . 5626 1 296 . 1 1 77 77 CYS N N 15 110.685 0.20 . 1 . . . . . . . . 5626 1 297 . 1 1 78 78 SER H H 1 9.647 0.02 . 1 . . . . . . . . 5626 1 298 . 1 1 78 78 SER C C 13 174.506 0.10 . 1 . . . . . . . . 5626 1 299 . 1 1 78 78 SER CA C 13 61.704 0.10 . 1 . . . . . . . . 5626 1 300 . 1 1 78 78 SER N N 15 129.416 0.20 . 1 . . . . . . . . 5626 1 301 . 1 1 79 79 ALA H H 1 9.689 0.02 . 1 . . . . . . . . 5626 1 302 . 1 1 79 79 ALA C C 13 176.951 0.10 . 1 . . . . . . . . 5626 1 303 . 1 1 79 79 ALA CA C 13 51.621 0.10 . 1 . . . . . . . . 5626 1 304 . 1 1 79 79 ALA N N 15 128.869 0.20 . 1 . . . . . . . . 5626 1 305 . 1 1 80 80 LYS H H 1 8.261 0.02 . 1 . . . . . . . . 5626 1 306 . 1 1 80 80 LYS C C 13 175.602 0.10 . 1 . . . . . . . . 5626 1 307 . 1 1 80 80 LYS CA C 13 56.995 0.10 . 1 . . . . . . . . 5626 1 308 . 1 1 80 80 LYS N N 15 117.248 0.20 . 1 . . . . . . . . 5626 1 309 . 1 1 81 81 CYS H H 1 6.829 0.02 . 1 . . . . . . . . 5626 1 310 . 1 1 81 81 CYS C C 13 174.949 0.10 . 1 . . . . . . . . 5626 1 311 . 1 1 81 81 CYS CA C 13 57.828 0.10 . 1 . . . . . . . . 5626 1 312 . 1 1 81 81 CYS N N 15 116.017 0.20 . 1 . . . . . . . . 5626 1 313 . 1 1 82 82 LYS H H 1 8.158 0.02 . 1 . . . . . . . . 5626 1 314 . 1 1 82 82 LYS C C 13 176.431 0.10 . 1 . . . . . . . . 5626 1 315 . 1 1 82 82 LYS CA C 13 54.533 0.10 . 1 . . . . . . . . 5626 1 316 . 1 1 82 82 LYS N N 15 117.521 0.20 . 1 . . . . . . . . 5626 1 317 . 1 1 83 83 LEU H H 1 8.730 0.02 . 1 . . . . . . . . 5626 1 318 . 1 1 83 83 LEU C C 13 177.011 0.10 . 1 . . . . . . . . 5626 1 319 . 1 1 83 83 LEU CA C 13 53.796 0.10 . 1 . . . . . . . . 5626 1 320 . 1 1 83 83 LEU N N 15 123.947 0.20 . 1 . . . . . . . . 5626 1 321 . 1 1 84 84 PRO C C 13 176.516 0.10 . 1 . . . . . . . . 5626 1 322 . 1 1 84 84 PRO CA C 13 65.408 0.10 . 1 . . . . . . . . 5626 1 323 . 1 1 85 85 ASN H H 1 7.517 0.02 . 1 . . . . . . . . 5626 1 324 . 1 1 85 85 ASN C C 13 176.317 0.10 . 1 . . . . . . . . 5626 1 325 . 1 1 85 85 ASN CA C 13 52.418 0.10 . 1 . . . . . . . . 5626 1 326 . 1 1 85 85 ASN N N 15 111.642 0.20 . 1 . . . . . . . . 5626 1 327 . 1 1 86 86 GLY H H 1 8.424 0.02 . 1 . . . . . . . . 5626 1 328 . 1 1 86 86 GLY C C 13 173.469 0.10 . 1 . . . . . . . . 5626 1 329 . 1 1 86 86 GLY CA C 13 44.911 0.10 . 1 . . . . . . . . 5626 1 330 . 1 1 86 86 GLY N N 15 108.361 0.20 . 1 . . . . . . . . 5626 1 331 . 1 1 87 87 ALA H H 1 7.465 0.02 . 1 . . . . . . . . 5626 1 332 . 1 1 87 87 ALA C C 13 175.797 0.10 . 1 . . . . . . . . 5626 1 333 . 1 1 87 87 ALA CA C 13 51.616 0.10 . 1 . . . . . . . . 5626 1 334 . 1 1 87 87 ALA N N 15 122.580 0.20 . 1 . . . . . . . . 5626 1 335 . 1 1 88 88 SER H H 1 8.125 0.02 . 1 . . . . . . . . 5626 1 336 . 1 1 88 88 SER C C 13 172.910 0.10 . 1 . . . . . . . . 5626 1 337 . 1 1 88 88 SER CA C 13 57.109 0.10 . 1 . . . . . . . . 5626 1 338 . 1 1 88 88 SER N N 15 113.283 0.20 . 1 . . . . . . . . 5626 1 339 . 1 1 89 89 VAL H H 1 8.715 0.02 . 1 . . . . . . . . 5626 1 340 . 1 1 89 89 VAL C C 13 175.570 0.10 . 1 . . . . . . . . 5626 1 341 . 1 1 89 89 VAL CA C 13 63.831 0.10 . 1 . . . . . . . . 5626 1 342 . 1 1 89 89 VAL N N 15 122.990 0.20 . 1 . . . . . . . . 5626 1 343 . 1 1 90 90 HIS H H 1 8.730 0.02 . 1 . . . . . . . . 5626 1 344 . 1 1 90 90 HIS C C 13 174.329 0.10 . 1 . . . . . . . . 5626 1 345 . 1 1 90 90 HIS CA C 13 52.593 0.10 . 1 . . . . . . . . 5626 1 346 . 1 1 90 90 HIS N N 15 128.869 0.20 . 1 . . . . . . . . 5626 1 347 . 1 1 91 91 LEU H H 1 8.520 0.02 . 1 . . . . . . . . 5626 1 348 . 1 1 91 91 LEU C C 13 176.089 0.10 . 1 . . . . . . . . 5626 1 349 . 1 1 91 91 LEU CA C 13 54.192 0.10 . 1 . . . . . . . . 5626 1 350 . 1 1 91 91 LEU N N 15 122.033 0.20 . 1 . . . . . . . . 5626 1 351 . 1 1 92 92 ARG H H 1 8.779 0.02 . 1 . . . . . . . . 5626 1 352 . 1 1 92 92 ARG C C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 353 . 1 1 92 92 ARG CA C 13 54.319 0.10 . 1 . . . . . . . . 5626 1 354 . 1 1 92 92 ARG N N 15 122.443 0.20 . 1 . . . . . . . . 5626 1 355 . 1 1 93 93 PRO C C 13 174.861 0.10 . 1 . . . . . . . . 5626 1 356 . 1 1 93 93 PRO CA C 13 61.764 0.10 . 1 . . . . . . . . 5626 1 357 . 1 1 94 94 ALA H H 1 9.234 0.02 . 1 . . . . . . . . 5626 1 358 . 1 1 94 94 ALA C C 13 176.543 0.10 . 1 . . . . . . . . 5626 1 359 . 1 1 94 94 ALA CA C 13 51.450 0.10 . 1 . . . . . . . . 5626 1 360 . 1 1 94 94 ALA N N 15 126.271 0.20 . 1 . . . . . . . . 5626 1 361 . 1 1 95 95 ILE H H 1 7.867 0.02 . 1 . . . . . . . . 5626 1 362 . 1 1 95 95 ILE C C 13 177.016 0.10 . 1 . . . . . . . . 5626 1 363 . 1 1 95 95 ILE CA C 13 63.005 0.10 . 1 . . . . . . . . 5626 1 364 . 1 1 95 95 ILE N N 15 120.157 0.20 . 1 . . . . . . . . 5626 1 365 . 1 1 96 96 CYS H H 1 7.664 0.02 . 1 . . . . . . . . 5626 1 366 . 1 1 96 96 CYS C C 13 176.429 0.10 . 1 . . . . . . . . 5626 1 367 . 1 1 96 96 CYS CA C 13 59.684 0.10 . 1 . . . . . . . . 5626 1 368 . 1 1 96 96 CYS N N 15 122.033 0.20 . 1 . . . . . . . . 5626 1 369 . 1 1 97 97 ASP H H 1 8.475 0.02 . 1 . . . . . . . . 5626 1 370 . 1 1 97 97 ASP C C 13 178.635 0.10 . 1 . . . . . . . . 5626 1 371 . 1 1 97 97 ASP CA C 13 57.639 0.10 . 1 . . . . . . . . 5626 1 372 . 1 1 97 97 ASP N N 15 129.663 0.20 . 1 . . . . . . . . 5626 1 373 . 1 1 98 98 LYS H H 1 8.989 0.02 . 1 . . . . . . . . 5626 1 374 . 1 1 98 98 LYS C C 13 179.018 0.10 . 1 . . . . . . . . 5626 1 375 . 1 1 98 98 LYS CA C 13 59.481 0.10 . 1 . . . . . . . . 5626 1 376 . 1 1 98 98 LYS N N 15 122.990 0.20 . 1 . . . . . . . . 5626 1 377 . 1 1 99 99 ALA H H 1 8.371 0.02 . 1 . . . . . . . . 5626 1 378 . 1 1 99 99 ALA C C 13 175.295 0.10 . 1 . . . . . . . . 5626 1 379 . 1 1 99 99 ALA CA C 13 54.251 0.10 . 1 . . . . . . . . 5626 1 380 . 1 1 99 99 ALA N N 15 125.583 0.20 . 1 . . . . . . . . 5626 1 381 . 1 1 100 100 ARG H H 1 8.591 0.02 . 1 . . . . . . . . 5626 1 382 . 1 1 100 100 ARG C C 13 179.454 0.10 . 1 . . . . . . . . 5626 1 383 . 1 1 100 100 ARG CA C 13 58.292 0.10 . 1 . . . . . . . . 5626 1 384 . 1 1 100 100 ARG N N 15 120.529 0.20 . 1 . . . . . . . . 5626 1 385 . 1 1 101 101 ARG H H 1 7.507 0.02 . 1 . . . . . . . . 5626 1 386 . 1 1 101 101 ARG C C 13 178.605 0.10 . 1 . . . . . . . . 5626 1 387 . 1 1 101 101 ARG CA C 13 58.927 0.10 . 1 . . . . . . . . 5626 1 388 . 1 1 101 101 ARG N N 15 118.341 0.20 . 1 . . . . . . . . 5626 1 389 . 1 1 102 102 LYS H H 1 7.102 0.02 . 1 . . . . . . . . 5626 1 390 . 1 1 102 102 LYS C C 13 177.582 0.10 . 1 . . . . . . . . 5626 1 391 . 1 1 102 102 LYS CA C 13 57.525 0.10 . 1 . . . . . . . . 5626 1 392 . 1 1 102 102 LYS N N 15 115.607 0.20 . 1 . . . . . . . . 5626 1 393 . 1 1 103 103 GLN H H 1 7.437 0.02 . 1 . . . . . . . . 5626 1 394 . 1 1 103 103 GLN C C 13 176.603 0.10 . 1 . . . . . . . . 5626 1 395 . 1 1 103 103 GLN CA C 13 58.283 0.10 . 1 . . . . . . . . 5626 1 396 . 1 1 103 103 GLN N N 15 116.837 0.20 . 1 . . . . . . . . 5626 1 397 . 1 1 104 104 GLN H H 1 6.801 0.02 . 1 . . . . . . . . 5626 1 398 . 1 1 104 104 GLN C C 13 175.896 0.10 . 1 . . . . . . . . 5626 1 399 . 1 1 104 104 GLN CA C 13 56.843 0.10 . 1 . . . . . . . . 5626 1 400 . 1 1 104 104 GLN N N 15 114.923 0.20 . 1 . . . . . . . . 5626 1 401 . 1 1 105 105 GLY H H 1 9.084 0.02 . 1 . . . . . . . . 5626 1 402 . 1 1 105 105 GLY C C 13 174.187 0.10 . 1 . . . . . . . . 5626 1 403 . 1 1 105 105 GLY CA C 13 45.154 0.10 . 1 . . . . . . . . 5626 1 404 . 1 1 105 105 GLY N N 15 113.556 0.20 . 1 . . . . . . . . 5626 1 405 . 1 1 106 106 LYS H H 1 7.241 0.02 . 1 . . . . . . . . 5626 1 406 . 1 1 106 106 LYS C C 13 175.190 0.10 . 1 . . . . . . . . 5626 1 407 . 1 1 106 106 LYS CA C 13 55.897 0.10 . 1 . . . . . . . . 5626 1 408 . 1 1 106 106 LYS N N 15 121.076 0.20 . 1 . . . . . . . . 5626 1 409 . 1 1 107 107 GLN H H 1 8.403 0.02 . 1 . . . . . . . . 5626 1 410 . 1 1 107 107 GLN C C 13 174.230 0.10 . 1 . . . . . . . . 5626 1 411 . 1 1 107 107 GLN CA C 13 56.995 0.10 . 1 . . . . . . . . 5626 1 412 . 1 1 107 107 GLN N N 15 120.802 0.20 . 1 . . . . . . . . 5626 1 413 . 1 1 108 108 CYS H H 1 7.591 0.02 . 1 . . . . . . . . 5626 1 414 . 1 1 108 108 CYS C C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 415 . 1 1 108 108 CYS CA C 13 57.525 0.10 . 1 . . . . . . . . 5626 1 416 . 1 1 108 108 CYS N N 15 125.861 0.20 . 1 . . . . . . . . 5626 1 417 . 1 1 109 109 PRO C C 13 176.938 0.10 . 1 . . . . . . . . 5626 1 418 . 1 1 109 109 PRO CA C 13 63.553 0.10 . 1 . . . . . . . . 5626 1 419 . 1 1 110 110 ASN H H 1 9.291 0.02 . 1 . . . . . . . . 5626 1 420 . 1 1 110 110 ASN C C 13 175.494 0.10 . 1 . . . . . . . . 5626 1 421 . 1 1 110 110 ASN CA C 13 52.723 0.10 . 1 . . . . . . . . 5626 1 422 . 1 1 110 110 ASN N N 15 123.947 0.20 . 1 . . . . . . . . 5626 1 423 . 1 1 111 111 ARG H H 1 8.349 0.02 . 1 . . . . . . . . 5626 1 424 . 1 1 111 111 ARG C C 13 176.755 0.10 . 1 . . . . . . . . 5626 1 425 . 1 1 111 111 ARG CA C 13 57.715 0.10 . 1 . . . . . . . . 5626 1 426 . 1 1 111 111 ARG N N 15 125.861 0.20 . 1 . . . . . . . . 5626 1 427 . 1 1 112 112 ASN H H 1 7.987 0.02 . 1 . . . . . . . . 5626 1 428 . 1 1 112 112 ASN C C 13 172.859 0.10 . 1 . . . . . . . . 5626 1 429 . 1 1 112 112 ASN CA C 13 53.018 0.10 . 1 . . . . . . . . 5626 1 430 . 1 1 112 112 ASN N N 15 115.880 0.20 . 1 . . . . . . . . 5626 1 431 . 1 1 113 113 CYS H H 1 7.688 0.02 . 1 . . . . . . . . 5626 1 432 . 1 1 113 113 CYS C C 13 174.578 0.10 . 1 . . . . . . . . 5626 1 433 . 1 1 113 113 CYS CA C 13 58.823 0.10 . 1 . . . . . . . . 5626 1 434 . 1 1 113 113 CYS N N 15 123.537 0.20 . 1 . . . . . . . . 5626 1 435 . 1 1 114 114 ASN H H 1 8.064 0.02 . 1 . . . . . . . . 5626 1 436 . 1 1 114 114 ASN C C 13 175.688 0.10 . 1 . . . . . . . . 5626 1 437 . 1 1 114 114 ASN CA C 13 52.525 0.10 . 1 . . . . . . . . 5626 1 438 . 1 1 114 114 ASN N N 15 125.041 0.20 . 1 . . . . . . . . 5626 1 439 . 1 1 115 115 GLY H H 1 10.208 0.02 . 1 . . . . . . . . 5626 1 440 . 1 1 115 115 GLY C C 13 171.998 0.10 . 1 . . . . . . . . 5626 1 441 . 1 1 115 115 GLY CA C 13 44.081 0.10 . 1 . . . . . . . . 5626 1 442 . 1 1 115 115 GLY N N 15 116.154 0.20 . 1 . . . . . . . . 5626 1 443 . 1 1 116 116 ARG H H 1 8.462 0.02 . 1 . . . . . . . . 5626 1 444 . 1 1 116 116 ARG C C 13 175.608 0.10 . 1 . . . . . . . . 5626 1 445 . 1 1 116 116 ARG CA C 13 52.639 0.10 . 1 . . . . . . . . 5626 1 446 . 1 1 116 116 ARG N N 15 116.427 0.20 . 1 . . . . . . . . 5626 1 447 . 1 1 117 117 LEU H H 1 8.977 0.02 . 1 . . . . . . . . 5626 1 448 . 1 1 117 117 LEU C C 13 177.665 0.10 . 1 . . . . . . . . 5626 1 449 . 1 1 117 117 LEU CA C 13 54.261 0.10 . 1 . . . . . . . . 5626 1 450 . 1 1 117 117 LEU N N 15 119.298 0.20 . 1 . . . . . . . . 5626 1 451 . 1 1 118 118 GLU H H 1 9.376 0.02 . 1 . . . . . . . . 5626 1 452 . 1 1 118 118 GLU C C 13 175.051 0.10 . 1 . . . . . . . . 5626 1 453 . 1 1 118 118 GLU CA C 13 53.825 0.10 . 1 . . . . . . . . 5626 1 454 . 1 1 118 118 GLU N N 15 121.486 0.20 . 1 . . . . . . . . 5626 1 455 . 1 1 119 119 ILE H H 1 8.875 0.02 . 1 . . . . . . . . 5626 1 456 . 1 1 119 119 ILE C C 13 175.448 0.10 . 1 . . . . . . . . 5626 1 457 . 1 1 119 119 ILE CA C 13 60.757 0.10 . 1 . . . . . . . . 5626 1 458 . 1 1 119 119 ILE N N 15 124.084 0.20 . 1 . . . . . . . . 5626 1 459 . 1 1 120 120 GLN H H 1 9.038 0.02 . 1 . . . . . . . . 5626 1 460 . 1 1 120 120 GLN C C 13 173.534 0.10 . 1 . . . . . . . . 5626 1 461 . 1 1 120 120 GLN CA C 13 54.754 0.10 . 1 . . . . . . . . 5626 1 462 . 1 1 120 120 GLN N N 15 130.510 0.20 . 1 . . . . . . . . 5626 1 463 . 1 1 121 121 ALA H H 1 8.063 0.02 . 1 . . . . . . . . 5626 1 464 . 1 1 121 121 ALA C C 13 175.380 0.10 . 1 . . . . . . . . 5626 1 465 . 1 1 121 121 ALA CA C 13 51.351 0.10 . 1 . . . . . . . . 5626 1 466 . 1 1 121 121 ALA N N 15 127.638 0.20 . 1 . . . . . . . . 5626 1 467 . 1 1 122 122 CYS H H 1 8.653 0.02 . 1 . . . . . . . . 5626 1 468 . 1 1 122 122 CYS C C 13 175.639 0.10 . 1 . . . . . . . . 5626 1 469 . 1 1 122 122 CYS CA C 13 59.626 0.10 . 1 . . . . . . . . 5626 1 470 . 1 1 122 122 CYS N N 15 123.400 0.20 . 1 . . . . . . . . 5626 1 471 . 1 1 123 123 ARG H H 1 9.943 0.02 . 1 . . . . . . . . 5626 1 472 . 1 1 123 123 ARG C C 13 178.278 0.10 . 1 . . . . . . . . 5626 1 473 . 1 1 123 123 ARG CA C 13 54.870 0.10 . 1 . . . . . . . . 5626 1 474 . 1 1 123 123 ARG N N 15 130.236 0.20 . 1 . . . . . . . . 5626 1 475 . 1 1 124 124 GLY H H 1 7.633 0.02 . 1 . . . . . . . . 5626 1 476 . 1 1 124 124 GLY C C 13 173.556 0.10 . 1 . . . . . . . . 5626 1 477 . 1 1 124 124 GLY CA C 13 47.146 0.10 . 1 . . . . . . . . 5626 1 478 . 1 1 124 124 GLY N N 15 105.216 0.20 . 1 . . . . . . . . 5626 1 479 . 1 1 125 125 HIS H H 1 9.389 0.02 . 1 . . . . . . . . 5626 1 480 . 1 1 125 125 HIS C C 13 175.076 0.10 . 1 . . . . . . . . 5626 1 481 . 1 1 125 125 HIS CA C 13 51.937 0.10 . 1 . . . . . . . . 5626 1 482 . 1 1 125 125 HIS N N 15 122.443 0.20 . 1 . . . . . . . . 5626 1 483 . 1 1 126 126 CYS H H 1 8.570 0.02 . 1 . . . . . . . . 5626 1 484 . 1 1 126 126 CYS C C 13 173.904 0.10 . 1 . . . . . . . . 5626 1 485 . 1 1 126 126 CYS CA C 13 60.293 0.10 . 1 . . . . . . . . 5626 1 486 . 1 1 126 126 CYS N N 15 116.564 0.20 . 1 . . . . . . . . 5626 1 487 . 1 1 127 127 GLY H H 1 7.217 0.02 . 1 . . . . . . . . 5626 1 488 . 1 1 127 127 GLY C C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 489 . 1 1 127 127 GLY CA C 13 44.949 0.10 . 1 . . . . . . . . 5626 1 490 . 1 1 127 127 GLY N N 15 102.618 0.20 . 1 . . . . . . . . 5626 1 491 . 1 1 128 128 TYR C C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 492 . 1 1 128 128 TYR CA C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 493 . 1 1 129 129 PRO C C 13 176.429 0.10 . 1 . . . . . . . . 5626 1 494 . 1 1 129 129 PRO CA C 13 63.553 0.10 . 1 . . . . . . . . 5626 1 495 . 1 1 130 130 VAL H H 1 8.157 0.02 . 1 . . . . . . . . 5626 1 496 . 1 1 130 130 VAL C C 13 174.513 0.10 . 1 . . . . . . . . 5626 1 497 . 1 1 130 130 VAL CA C 13 64.003 0.10 . 1 . . . . . . . . 5626 1 498 . 1 1 130 130 VAL N N 15 123.947 0.20 . 1 . . . . . . . . 5626 1 499 . 1 1 131 131 THR H H 1 7.361 0.02 . 1 . . . . . . . . 5626 1 500 . 1 1 131 131 THR C C 13 172.948 0.10 . 1 . . . . . . . . 5626 1 501 . 1 1 131 131 THR CA C 13 58.245 0.10 . 1 . . . . . . . . 5626 1 502 . 1 1 131 131 THR N N 15 115.197 0.20 . 1 . . . . . . . . 5626 1 503 . 1 1 132 132 HIS H H 1 8.373 0.02 . 1 . . . . . . . . 5626 1 504 . 1 1 132 132 HIS C C 13 173.429 0.10 . 1 . . . . . . . . 5626 1 505 . 1 1 132 132 HIS CA C 13 51.878 0.10 . 1 . . . . . . . . 5626 1 506 . 1 1 132 132 HIS N N 15 119.918 0.20 . 1 . . . . . . . . 5626 1 507 . 1 1 133 133 PHE H H 1 8.591 0.02 . 1 . . . . . . . . 5626 1 508 . 1 1 133 133 PHE C C 13 173.531 0.10 . 1 . . . . . . . . 5626 1 509 . 1 1 133 133 PHE CA C 13 55.649 0.10 . 1 . . . . . . . . 5626 1 510 . 1 1 133 133 PHE N N 15 117.248 0.20 . 1 . . . . . . . . 5626 1 511 . 1 1 134 134 TRP H H 1 9.024 0.02 . 1 . . . . . . . . 5626 1 512 . 1 1 134 134 TRP C C 13 176.457 0.10 . 1 . . . . . . . . 5626 1 513 . 1 1 134 134 TRP CA C 13 55.044 0.10 . 1 . . . . . . . . 5626 1 514 . 1 1 134 134 TRP N N 15 118.751 0.20 . 1 . . . . . . . . 5626 1 515 . 1 1 135 135 ARG H H 1 9.623 0.02 . 1 . . . . . . . . 5626 1 516 . 1 1 135 135 ARG C C 13 173.493 0.10 . 1 . . . . . . . . 5626 1 517 . 1 1 135 135 ARG CA C 13 55.131 0.10 . 1 . . . . . . . . 5626 1 518 . 1 1 135 135 ARG N N 15 124.220 0.20 . 1 . . . . . . . . 5626 1 519 . 1 1 136 136 ARG H H 1 9.382 0.02 . 1 . . . . . . . . 5626 1 520 . 1 1 136 136 ARG C C 13 175.371 0.10 . 1 . . . . . . . . 5626 1 521 . 1 1 136 136 ARG CA C 13 55.375 0.10 . 1 . . . . . . . . 5626 1 522 . 1 1 136 136 ARG N N 15 128.459 0.20 . 1 . . . . . . . . 5626 1 523 . 1 1 137 137 ASP H H 1 9.053 0.02 . 1 . . . . . . . . 5626 1 524 . 1 1 137 137 ASP C C 13 175.342 0.10 . 1 . . . . . . . . 5626 1 525 . 1 1 137 137 ASP CA C 13 54.580 0.10 . 1 . . . . . . . . 5626 1 526 . 1 1 137 137 ASP N N 15 127.092 0.20 . 1 . . . . . . . . 5626 1 527 . 1 1 138 138 GLY H H 1 8.817 0.02 . 1 . . . . . . . . 5626 1 528 . 1 1 138 138 GLY C C 13 174.759 0.10 . 1 . . . . . . . . 5626 1 529 . 1 1 138 138 GLY CA C 13 47.119 0.10 . 1 . . . . . . . . 5626 1 530 . 1 1 138 138 GLY N N 15 112.599 0.20 . 1 . . . . . . . . 5626 1 531 . 1 1 139 139 ASN H H 1 8.874 0.02 . 1 . . . . . . . . 5626 1 532 . 1 1 139 139 ASN C C 13 174.687 0.10 . 1 . . . . . . . . 5626 1 533 . 1 1 139 139 ASN CA C 13 52.630 0.10 . 1 . . . . . . . . 5626 1 534 . 1 1 139 139 ASN N N 15 122.853 0.20 . 1 . . . . . . . . 5626 1 535 . 1 1 140 140 GLY H H 1 8.210 0.02 . 1 . . . . . . . . 5626 1 536 . 1 1 140 140 GLY C C 13 170.727 0.10 . 1 . . . . . . . . 5626 1 537 . 1 1 140 140 GLY CA C 13 44.646 0.10 . 1 . . . . . . . . 5626 1 538 . 1 1 140 140 GLY N N 15 108.224 0.20 . 1 . . . . . . . . 5626 1 539 . 1 1 141 141 ILE H H 1 8.926 0.02 . 1 . . . . . . . . 5626 1 540 . 1 1 141 141 ILE C C 13 172.999 0.10 . 1 . . . . . . . . 5626 1 541 . 1 1 141 141 ILE CA C 13 61.072 0.10 . 1 . . . . . . . . 5626 1 542 . 1 1 141 141 ILE N N 15 121.076 0.20 . 1 . . . . . . . . 5626 1 543 . 1 1 142 142 TYR H H 1 9.559 0.02 . 1 . . . . . . . . 5626 1 544 . 1 1 142 142 TYR C C 13 173.429 0.10 . 1 . . . . . . . . 5626 1 545 . 1 1 142 142 TYR CA C 13 57.944 0.10 . 1 . . . . . . . . 5626 1 546 . 1 1 142 142 TYR N N 15 128.322 0.20 . 1 . . . . . . . . 5626 1 547 . 1 1 143 143 PHE H H 1 9.044 0.02 . 1 . . . . . . . . 5626 1 548 . 1 1 143 143 PHE C C 13 172.642 0.10 . 1 . . . . . . . . 5626 1 549 . 1 1 143 143 PHE CA C 13 55.479 0.10 . 1 . . . . . . . . 5626 1 550 . 1 1 143 143 PHE N N 15 123.673 0.20 . 1 . . . . . . . . 5626 1 551 . 1 1 144 144 GLN H H 1 8.134 0.02 . 1 . . . . . . . . 5626 1 552 . 1 1 144 144 GLN C C 13 171.757 0.10 . 1 . . . . . . . . 5626 1 553 . 1 1 144 144 GLN CA C 13 53.321 0.10 . 1 . . . . . . . . 5626 1 554 . 1 1 144 144 GLN N N 15 126.955 0.20 . 1 . . . . . . . . 5626 1 555 . 1 1 145 145 ALA H H 1 8.367 0.02 . 1 . . . . . . . . 5626 1 556 . 1 1 145 145 ALA C C 13 175.773 0.10 . 1 . . . . . . . . 5626 1 557 . 1 1 145 145 ALA CA C 13 49.504 0.10 . 1 . . . . . . . . 5626 1 558 . 1 1 145 145 ALA N N 15 125.588 0.20 . 1 . . . . . . . . 5626 1 559 . 1 1 146 146 LYS H H 1 8.356 0.02 . 1 . . . . . . . . 5626 1 560 . 1 1 146 146 LYS C C 13 996.253 0.10 . 1 . . . . . . . . 5626 1 561 . 1 1 146 146 LYS CA C 13 55.168 0.10 . 1 . . . . . . . . 5626 1 562 . 1 1 146 146 LYS N N 15 118.473 0.20 . 1 . . . . . . . . 5626 1 563 . 1 1 147 147 GLY C C 13 175.730 0.10 . 1 . . . . . . . . 5626 1 564 . 1 1 147 147 GLY CA C 13 43.028 0.10 . 1 . . . . . . . . 5626 1 565 . 1 1 148 148 THR H H 1 7.951 0.02 . 1 . . . . . . . . 5626 1 566 . 1 1 148 148 THR C C 13 170.574 0.10 . 1 . . . . . . . . 5626 1 567 . 1 1 148 148 THR CA C 13 59.940 0.10 . 1 . . . . . . . . 5626 1 568 . 1 1 148 148 THR N N 15 119.982 0.20 . 1 . . . . . . . . 5626 1 569 . 1 1 149 149 HIS H H 1 8.337 0.02 . 1 . . . . . . . . 5626 1 570 . 1 1 149 149 HIS C C 13 174.126 0.10 . 1 . . . . . . . . 5626 1 571 . 1 1 149 149 HIS CA C 13 54.571 0.10 . 1 . . . . . . . . 5626 1 572 . 1 1 149 149 HIS N N 15 126.408 0.20 . 1 . . . . . . . . 5626 1 573 . 1 1 150 150 ASP H H 1 8.585 0.02 . 1 . . . . . . . . 5626 1 574 . 1 1 150 150 ASP C C 13 180.722 0.10 . 1 . . . . . . . . 5626 1 575 . 1 1 150 150 ASP CA C 13 52.276 0.10 . 1 . . . . . . . . 5626 1 576 . 1 1 150 150 ASP N N 15 122.055 0.20 . 1 . . . . . . . . 5626 1 577 . 1 1 151 151 HIS H H 1 8.578 0.02 . 1 . . . . . . . . 5626 1 578 . 1 1 151 151 HIS C C 13 2.200 0.10 . 1 . . . . . . . . 5626 1 579 . 1 1 151 151 HIS CA C 13 59.452 0.10 . 1 . . . . . . . . 5626 1 580 . 1 1 151 151 HIS N N 15 120.529 0.20 . 1 . . . . . . . . 5626 1 581 . 1 1 152 152 PRO C C 13 176.444 0.10 . 1 . . . . . . . . 5626 1 582 . 1 1 152 152 PRO CA C 13 62.175 0.10 . 1 . . . . . . . . 5626 1 583 . 1 1 153 153 ARG H H 1 8.481 0.02 . 1 . . . . . . . . 5626 1 584 . 1 1 153 153 ARG C C 13 174.815 0.10 . 1 . . . . . . . . 5626 1 585 . 1 1 153 153 ARG CA C 13 54.457 0.10 . 1 . . . . . . . . 5626 1 586 . 1 1 153 153 ARG N N 15 122.033 0.20 . 1 . . . . . . . . 5626 1 587 . 1 1 154 154 PRO C C 13 176.722 0.10 . 1 . . . . . . . . 5626 1 588 . 1 1 154 154 PRO CA C 13 61.684 0.10 . 1 . . . . . . . . 5626 1 589 . 1 1 155 155 GLU H H 1 7.694 0.02 . 1 . . . . . . . . 5626 1 590 . 1 1 155 155 GLU C C 13 175.646 0.10 . 1 . . . . . . . . 5626 1 591 . 1 1 155 155 GLU CA C 13 56.578 0.10 . 1 . . . . . . . . 5626 1 592 . 1 1 155 155 GLU N N 15 119.008 0.20 . 1 . . . . . . . . 5626 1 593 . 1 1 156 156 ALA H H 1 8.445 0.02 . 1 . . . . . . . . 5626 1 594 . 1 1 156 156 ALA C C 13 177.229 0.10 . 1 . . . . . . . . 5626 1 595 . 1 1 156 156 ALA CA C 13 52.454 0.10 . 1 . . . . . . . . 5626 1 596 . 1 1 156 156 ALA N N 15 124.494 0.20 . 1 . . . . . . . . 5626 1 597 . 1 1 157 157 LYS H H 1 8.271 0.02 . 1 . . . . . . . . 5626 1 598 . 1 1 157 157 LYS C C 13 176.469 0.10 . 1 . . . . . . . . 5626 1 599 . 1 1 157 157 LYS CA C 13 56.351 0.10 . 1 . . . . . . . . 5626 1 600 . 1 1 157 157 LYS N N 15 119.572 0.20 . 1 . . . . . . . . 5626 1 601 . 1 1 158 158 GLY H H 1 8.423 0.02 . 1 . . . . . . . . 5626 1 602 . 1 1 158 158 GLY C C 13 173.055 0.10 . 1 . . . . . . . . 5626 1 603 . 1 1 158 158 GLY CA C 13 45.139 0.10 . 1 . . . . . . . . 5626 1 604 . 1 1 158 158 GLY N N 15 110.548 0.20 . 1 . . . . . . . . 5626 1 605 . 1 1 159 159 SER H H 1 7.778 0.02 . 1 . . . . . . . . 5626 1 606 . 1 1 159 159 SER C C 13 178.469 0.10 . 1 . . . . . . . . 5626 1 607 . 1 1 159 159 SER CA C 13 59.836 0.10 . 1 . . . . . . . . 5626 1 608 . 1 1 159 159 SER N N 15 120.802 0.20 . 1 . . . . . . . . 5626 1 stop_ save_