################################### # 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 5266 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_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 '1H-15N HAQC' . . . 5266 1 2 '1H-15N NOESYHSQC' . . . 5266 1 3 '1H-15N TOCSYHSQC' . . . 5266 1 4 HNCA . . . 5266 1 5 HNCACB . . . 5266 1 6 CBCACONH . . . 5266 1 7 HN(CO)CA . . . 5266 1 8 '3D C13-edit NOESY' . . . 5266 1 9 '3D HCCHTOCSY' . . . 5266 1 10 '3D HCCHCOSY' . . . 5266 1 11 '4D 15N-C13 NOESY' . . . 5266 1 12 '4D C13-C13 NOESY' . . . 5266 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 MET CA C 13 55.458 0.08 . . . . . . . . . . 5266 1 2 . 1 1 2 2 ALA N N 15 123.283 0.08 . . . . . . . . . . 5266 1 3 . 1 1 2 2 ALA H H 1 8.345 0.01 . . . . . . . . . . 5266 1 4 . 1 1 2 2 ALA CA C 13 52.659 0.08 . . . . . . . . . . 5266 1 5 . 1 1 2 2 ALA CB C 13 19.409 0.08 . . . . . . . . . . 5266 1 6 . 1 1 3 3 ASN N N 15 115.861 0.08 . . . . . . . . . . 5266 1 7 . 1 1 3 3 ASN H H 1 8.349 0.01 . . . . . . . . . . 5266 1 8 . 1 1 3 3 ASN CA C 13 52.918 0.08 . . . . . . . . . . 5266 1 9 . 1 1 3 3 ASN CB C 13 38.900 0.08 . . . . . . . . . . 5266 1 10 . 1 1 4 4 LEU N N 15 120.723 0.08 . . . . . . . . . . 5266 1 11 . 1 1 4 4 LEU H H 1 7.954 0.01 . . . . . . . . . . 5266 1 12 . 1 1 4 4 LEU CA C 13 54.801 0.08 . . . . . . . . . . 5266 1 13 . 1 1 4 4 LEU CB C 13 42.323 0.08 . . . . . . . . . . 5266 1 14 . 1 1 5 5 ASP N N 15 120.010 0.08 . . . . . . . . . . 5266 1 15 . 1 1 5 5 ASP H H 1 8.394 0.01 . . . . . . . . . . 5266 1 16 . 1 1 5 5 ASP CA C 13 54.318 0.08 . . . . . . . . . . 5266 1 17 . 1 1 5 5 ASP CB C 13 41.374 0.08 . . . . . . . . . . 5266 1 18 . 1 1 6 6 ARG CA C 13 54.291 0.08 . . . . . . . . . . 5266 1 19 . 1 1 7 7 SER N N 15 116.511 0.08 . . . . . . . . . . 5266 1 20 . 1 1 7 7 SER H H 1 8.550 0.01 . . . . . . . . . . 5266 1 21 . 1 1 7 7 SER CA C 13 61.283 0.08 . . . . . . . . . . 5266 1 22 . 1 1 7 7 SER CB C 13 63.068 0.08 . . . . . . . . . . 5266 1 23 . 1 1 8 8 ASN N N 15 118.164 0.08 . . . . . . . . . . 5266 1 24 . 1 1 8 8 ASN H H 1 8.567 0.01 . . . . . . . . . . 5266 1 25 . 1 1 8 8 ASN CA C 13 52.983 0.08 . . . . . . . . . . 5266 1 26 . 1 1 8 8 ASN CB C 13 38.740 0.08 . . . . . . . . . . 5266 1 27 . 1 1 9 9 ASP N N 15 117.548 0.08 . . . . . . . . . . 5266 1 28 . 1 1 9 9 ASP H H 1 7.590 0.01 . . . . . . . . . . 5266 1 29 . 1 1 9 9 ASP CA C 13 52.915 0.08 . . . . . . . . . . 5266 1 30 . 1 1 9 9 ASP CB C 13 41.739 0.08 . . . . . . . . . . 5266 1 31 . 1 1 10 10 LYS N N 15 124.935 0.08 . . . . . . . . . . 5266 1 32 . 1 1 10 10 LYS H H 1 8.665 0.01 . . . . . . . . . . 5266 1 33 . 1 1 10 10 LYS CA C 13 58.158 0.08 . . . . . . . . . . 5266 1 34 . 1 1 10 10 LYS CB C 13 32.494 0.08 . . . . . . . . . . 5266 1 35 . 1 1 11 11 VAL N N 15 117.451 0.08 . . . . . . . . . . 5266 1 36 . 1 1 11 11 VAL H H 1 7.998 0.01 . . . . . . . . . . 5266 1 37 . 1 1 11 11 VAL CA C 13 67.155 0.08 . . . . . . . . . . 5266 1 38 . 1 1 11 11 VAL CB C 13 31.063 0.08 . . . . . . . . . . 5266 1 39 . 1 1 12 12 TYR N N 15 119.298 0.08 . . . . . . . . . . 5266 1 40 . 1 1 12 12 TYR H H 1 8.051 0.01 . . . . . . . . . . 5266 1 41 . 1 1 12 12 TYR CA C 13 62.257 0.08 . . . . . . . . . . 5266 1 42 . 1 1 12 12 TYR CB C 13 38.740 0.08 . . . . . . . . . . 5266 1 43 . 1 1 13 13 GLU N N 15 118.628 0.08 . . . . . . . . . . 5266 1 44 . 1 1 13 13 GLU H H 1 8.506 0.01 . . . . . . . . . . 5266 1 45 . 1 1 13 13 GLU CA C 13 59.742 0.08 . . . . . . . . . . 5266 1 46 . 1 1 13 13 GLU CB C 13 29.884 0.08 . . . . . . . . . . 5266 1 47 . 1 1 14 14 ASN N N 15 115.896 0.08 . . . . . . . . . . 5266 1 48 . 1 1 14 14 ASN H H 1 8.413 0.01 . . . . . . . . . . 5266 1 49 . 1 1 14 14 ASN CA C 13 55.601 0.08 . . . . . . . . . . 5266 1 50 . 1 1 14 14 ASN CB C 13 39.376 0.08 . . . . . . . . . . 5266 1 51 . 1 1 15 15 VAL N N 15 124.255 0.08 . . . . . . . . . . 5266 1 52 . 1 1 15 15 VAL H H 1 9.076 0.01 . . . . . . . . . . 5266 1 53 . 1 1 15 15 VAL CA C 13 67.903 0.08 . . . . . . . . . . 5266 1 54 . 1 1 15 15 VAL CB C 13 31.158 0.08 . . . . . . . . . . 5266 1 55 . 1 1 16 16 THR N N 15 113.433 0.08 . . . . . . . . . . 5266 1 56 . 1 1 16 16 THR H H 1 8.388 0.01 . . . . . . . . . . 5266 1 57 . 1 1 16 16 THR CA C 13 67.652 0.08 . . . . . . . . . . 5266 1 58 . 1 1 16 16 THR CB C 13 67.949 0.08 . . . . . . . . . . 5266 1 59 . 1 1 17 17 GLY N N 15 106.241 0.08 . . . . . . . . . . 5266 1 60 . 1 1 17 17 GLY H H 1 8.382 0.01 . . . . . . . . . . 5266 1 61 . 1 1 17 17 GLY CA C 13 47.239 0.08 . . . . . . . . . . 5266 1 62 . 1 1 18 18 LEU N N 15 122.538 0.08 . . . . . . . . . . 5266 1 63 . 1 1 18 18 LEU H H 1 7.788 0.01 . . . . . . . . . . 5266 1 64 . 1 1 18 18 LEU CA C 13 57.991 0.08 . . . . . . . . . . 5266 1 65 . 1 1 18 18 LEU CB C 13 41.809 0.08 . . . . . . . . . . 5266 1 66 . 1 1 19 19 VAL N N 15 118.520 0.08 . . . . . . . . . . 5266 1 67 . 1 1 19 19 VAL H H 1 8.496 0.01 . . . . . . . . . . 5266 1 68 . 1 1 19 19 VAL CA C 13 68.010 0.08 . . . . . . . . . . 5266 1 69 . 1 1 19 19 VAL CB C 13 30.880 0.08 . . . . . . . . . . 5266 1 70 . 1 1 20 20 LYS N N 15 117.483 0.08 . . . . . . . . . . 5266 1 71 . 1 1 20 20 LYS H H 1 8.766 0.01 . . . . . . . . . . 5266 1 72 . 1 1 20 20 LYS CA C 13 60.749 0.08 . . . . . . . . . . 5266 1 73 . 1 1 20 20 LYS CB C 13 32.082 0.08 . . . . . . . . . . 5266 1 74 . 1 1 21 21 ALA N N 15 120.529 0.08 . . . . . . . . . . 5266 1 75 . 1 1 21 21 ALA H H 1 7.992 0.01 . . . . . . . . . . 5266 1 76 . 1 1 21 21 ALA CA C 13 55.193 0.08 . . . . . . . . . . 5266 1 77 . 1 1 21 21 ALA CB C 13 17.063 0.08 . . . . . . . . . . 5266 1 78 . 1 1 22 22 VAL N N 15 118.747 0.08 . . . . . . . . . . 5266 1 79 . 1 1 22 22 VAL H H 1 8.489 0.01 . . . . . . . . . . 5266 1 80 . 1 1 22 22 VAL CA C 13 67.488 0.08 . . . . . . . . . . 5266 1 81 . 1 1 22 22 VAL CB C 13 31.304 0.08 . . . . . . . . . . 5266 1 82 . 1 1 23 23 ILE N N 15 124.644 0.08 . . . . . . . . . . 5266 1 83 . 1 1 23 23 ILE H H 1 8.882 0.01 . . . . . . . . . . 5266 1 84 . 1 1 23 23 ILE CA C 13 66.479 0.08 . . . . . . . . . . 5266 1 85 . 1 1 23 23 ILE CB C 13 38.163 0.08 . . . . . . . . . . 5266 1 86 . 1 1 24 24 GLU N N 15 119.524 0.08 . . . . . . . . . . 5266 1 87 . 1 1 24 24 GLU H H 1 8.436 0.01 . . . . . . . . . . 5266 1 88 . 1 1 24 24 GLU CA C 13 59.681 0.08 . . . . . . . . . . 5266 1 89 . 1 1 24 24 GLU CB C 13 29.170 0.08 . . . . . . . . . . 5266 1 90 . 1 1 25 25 MET N N 15 116.900 0.08 . . . . . . . . . . 5266 1 91 . 1 1 25 25 MET H H 1 8.215 0.01 . . . . . . . . . . 5266 1 92 . 1 1 25 25 MET CA C 13 59.375 0.08 . . . . . . . . . . 5266 1 93 . 1 1 25 25 MET CB C 13 33.369 0.08 . . . . . . . . . . 5266 1 94 . 1 1 26 26 SER N N 15 112.008 0.08 . . . . . . . . . . 5266 1 95 . 1 1 26 26 SER H H 1 8.559 0.01 . . . . . . . . . . 5266 1 96 . 1 1 26 26 SER CA C 13 62.778 0.08 . . . . . . . . . . 5266 1 97 . 1 1 26 26 SER CB C 13 62.676 0.08 . . . . . . . . . . 5266 1 98 . 1 1 27 27 SER N N 15 113.433 0.08 . . . . . . . . . . 5266 1 99 . 1 1 27 27 SER H H 1 8.060 0.01 . . . . . . . . . . 5266 1 100 . 1 1 27 27 SER CA C 13 60.603 0.08 . . . . . . . . . . 5266 1 101 . 1 1 27 27 SER CB C 13 63.555 0.08 . . . . . . . . . . 5266 1 102 . 1 1 28 28 LYS N N 15 118.228 0.08 . . . . . . . . . . 5266 1 103 . 1 1 28 28 LYS H H 1 7.905 0.01 . . . . . . . . . . 5266 1 104 . 1 1 28 28 LYS CA C 13 57.654 0.08 . . . . . . . . . . 5266 1 105 . 1 1 28 28 LYS CB C 13 34.051 0.08 . . . . . . . . . . 5266 1 106 . 1 1 29 29 ILE N N 15 115.280 0.08 . . . . . . . . . . 5266 1 107 . 1 1 29 29 ILE H H 1 8.019 0.01 . . . . . . . . . . 5266 1 108 . 1 1 29 29 ILE CA C 13 64.048 0.08 . . . . . . . . . . 5266 1 109 . 1 1 29 29 ILE CB C 13 38.528 0.08 . . . . . . . . . . 5266 1 110 . 1 1 30 30 GLN N N 15 118.131 0.08 . . . . . . . . . . 5266 1 111 . 1 1 30 30 GLN H H 1 8.209 0.01 . . . . . . . . . . 5266 1 112 . 1 1 30 30 GLN CA C 13 61.957 0.08 . . . . . . . . . . 5266 1 113 . 1 1 30 30 GLN CB C 13 25.685 0.08 . . . . . . . . . . 5266 1 114 . 1 1 31 31 PRO CA C 13 63.777 0.08 . . . . . . . . . . 5266 1 115 . 1 1 31 31 PRO CB C 13 31.507 0.08 . . . . . . . . . . 5266 1 116 . 1 1 32 32 ALA N N 15 121.468 0.08 . . . . . . . . . . 5266 1 117 . 1 1 32 32 ALA H H 1 7.111 0.01 . . . . . . . . . . 5266 1 118 . 1 1 32 32 ALA CA C 13 51.242 0.08 . . . . . . . . . . 5266 1 119 . 1 1 32 32 ALA CB C 13 19.409 0.08 . . . . . . . . . . 5266 1 120 . 1 1 33 33 PRO CA C 13 60.939 0.08 . . . . . . . . . . 5266 1 121 . 1 1 33 33 PRO CB C 13 30.933 0.08 . . . . . . . . . . 5266 1 122 . 1 1 34 34 PRO CA C 13 63.996 0.08 . . . . . . . . . . 5266 1 123 . 1 1 34 34 PRO CB C 13 31.743 0.08 . . . . . . . . . . 5266 1 124 . 1 1 35 35 GLU N N 15 115.863 0.08 . . . . . . . . . . 5266 1 125 . 1 1 35 35 GLU H H 1 9.480 0.01 . . . . . . . . . . 5266 1 126 . 1 1 35 35 GLU CA C 13 59.396 0.08 . . . . . . . . . . 5266 1 127 . 1 1 35 35 GLU CB C 13 28.415 0.08 . . . . . . . . . . 5266 1 128 . 1 1 36 36 GLU N N 15 115.701 0.08 . . . . . . . . . . 5266 1 129 . 1 1 36 36 GLU H H 1 8.070 0.01 . . . . . . . . . . 5266 1 130 . 1 1 36 36 GLU CA C 13 56.524 0.08 . . . . . . . . . . 5266 1 131 . 1 1 36 36 GLU CB C 13 30.528 0.08 . . . . . . . . . . 5266 1 132 . 1 1 37 37 TYR N N 15 115.961 0.08 . . . . . . . . . . 5266 1 133 . 1 1 37 37 TYR H H 1 7.879 0.01 . . . . . . . . . . 5266 1 134 . 1 1 37 37 TYR CA C 13 58.565 0.08 . . . . . . . . . . 5266 1 135 . 1 1 37 37 TYR CB C 13 37.755 0.08 . . . . . . . . . . 5266 1 136 . 1 1 38 38 VAL N N 15 117.451 0.08 . . . . . . . . . . 5266 1 137 . 1 1 38 38 VAL H H 1 8.336 0.01 . . . . . . . . . . 5266 1 138 . 1 1 38 38 VAL CA C 13 68.905 0.08 . . . . . . . . . . 5266 1 139 . 1 1 38 38 VAL CB C 13 29.115 0.08 . . . . . . . . . . 5266 1 140 . 1 1 39 39 PRO CA C 13 66.039 0.08 . . . . . . . . . . 5266 1 141 . 1 1 39 39 PRO CB C 13 30.958 0.08 . . . . . . . . . . 5266 1 142 . 1 1 40 40 MET N N 15 113.142 0.08 . . . . . . . . . . 5266 1 143 . 1 1 40 40 MET H H 1 7.244 0.01 . . . . . . . . . . 5266 1 144 . 1 1 40 40 MET CA C 13 59.299 0.08 . . . . . . . . . . 5266 1 145 . 1 1 40 40 MET CB C 13 32.949 0.08 . . . . . . . . . . 5266 1 146 . 1 1 41 41 VAL N N 15 119.557 0.08 . . . . . . . . . . 5266 1 147 . 1 1 41 41 VAL H H 1 8.288 0.01 . . . . . . . . . . 5266 1 148 . 1 1 41 41 VAL CA C 13 66.389 0.08 . . . . . . . . . . 5266 1 149 . 1 1 41 41 VAL CB C 13 31.173 0.08 . . . . . . . . . . 5266 1 150 . 1 1 42 42 LYS N N 15 119.816 0.08 . . . . . . . . . . 5266 1 151 . 1 1 42 42 LYS H H 1 8.908 0.01 . . . . . . . . . . 5266 1 152 . 1 1 42 42 LYS CA C 13 60.574 0.08 . . . . . . . . . . 5266 1 153 . 1 1 42 42 LYS CB C 13 32.082 0.08 . . . . . . . . . . 5266 1 154 . 1 1 43 43 GLU N N 15 115.313 0.08 . . . . . . . . . . 5266 1 155 . 1 1 43 43 GLU H H 1 7.648 0.01 . . . . . . . . . . 5266 1 156 . 1 1 43 43 GLU CA C 13 59.914 0.08 . . . . . . . . . . 5266 1 157 . 1 1 43 43 GLU CB C 13 29.473 0.08 . . . . . . . . . . 5266 1 158 . 1 1 44 44 VAL N N 15 118.552 0.08 . . . . . . . . . . 5266 1 159 . 1 1 44 44 VAL H H 1 7.345 0.01 . . . . . . . . . . 5266 1 160 . 1 1 44 44 VAL CA C 13 66.784 0.08 . . . . . . . . . . 5266 1 161 . 1 1 44 44 VAL CB C 13 31.523 0.08 . . . . . . . . . . 5266 1 162 . 1 1 45 45 GLY N N 15 105.269 0.08 . . . . . . . . . . 5266 1 163 . 1 1 45 45 GLY H H 1 8.743 0.01 . . . . . . . . . . 5266 1 164 . 1 1 45 45 GLY CA C 13 48.044 0.08 . . . . . . . . . . 5266 1 165 . 1 1 46 46 LEU N N 15 120.399 0.08 . . . . . . . . . . 5266 1 166 . 1 1 46 46 LEU H H 1 8.856 0.01 . . . . . . . . . . 5266 1 167 . 1 1 46 46 LEU CA C 13 57.890 0.08 . . . . . . . . . . 5266 1 168 . 1 1 46 46 LEU CB C 13 41.309 0.08 . . . . . . . . . . 5266 1 169 . 1 1 47 47 ALA N N 15 121.695 0.08 . . . . . . . . . . 5266 1 170 . 1 1 47 47 ALA H H 1 7.861 0.01 . . . . . . . . . . 5266 1 171 . 1 1 47 47 ALA CA C 13 54.783 0.08 . . . . . . . . . . 5266 1 172 . 1 1 47 47 ALA CB C 13 17.176 0.08 . . . . . . . . . . 5266 1 173 . 1 1 48 48 LEU N N 15 119.978 0.08 . . . . . . . . . . 5266 1 174 . 1 1 48 48 LEU H H 1 8.599 0.01 . . . . . . . . . . 5266 1 175 . 1 1 48 48 LEU CA C 13 57.534 0.08 . . . . . . . . . . 5266 1 176 . 1 1 48 48 LEU CB C 13 40.681 0.08 . . . . . . . . . . 5266 1 177 . 1 1 49 49 ARG N N 15 121.274 0.08 . . . . . . . . . . 5266 1 178 . 1 1 49 49 ARG H H 1 8.654 0.01 . . . . . . . . . . 5266 1 179 . 1 1 49 49 ARG CA C 13 60.891 0.08 . . . . . . . . . . 5266 1 180 . 1 1 49 49 ARG CB C 13 29.736 0.08 . . . . . . . . . . 5266 1 181 . 1 1 50 50 THR N N 15 113.207 0.08 . . . . . . . . . . 5266 1 182 . 1 1 50 50 THR H H 1 8.109 0.01 . . . . . . . . . . 5266 1 183 . 1 1 50 50 THR CA C 13 66.503 0.08 . . . . . . . . . . 5266 1 184 . 1 1 50 50 THR CB C 13 68.807 0.08 . . . . . . . . . . 5266 1 185 . 1 1 51 51 LEU N N 15 119.492 0.08 . . . . . . . . . . 5266 1 186 . 1 1 51 51 LEU H H 1 7.446 0.01 . . . . . . . . . . 5266 1 187 . 1 1 51 51 LEU CA C 13 58.194 0.08 . . . . . . . . . . 5266 1 188 . 1 1 51 51 LEU CB C 13 40.877 0.08 . . . . . . . . . . 5266 1 189 . 1 1 52 52 LEU N N 15 116.868 0.08 . . . . . . . . . . 5266 1 190 . 1 1 52 52 LEU H H 1 9.031 0.01 . . . . . . . . . . 5266 1 191 . 1 1 52 52 LEU CA C 13 59.211 0.08 . . . . . . . . . . 5266 1 192 . 1 1 52 52 LEU CB C 13 40.791 0.08 . . . . . . . . . . 5266 1 193 . 1 1 53 53 ALA N N 15 119.946 0.08 . . . . . . . . . . 5266 1 194 . 1 1 53 53 ALA H H 1 8.592 0.01 . . . . . . . . . . 5266 1 195 . 1 1 53 53 ALA CA C 13 55.603 0.08 . . . . . . . . . . 5266 1 196 . 1 1 53 53 ALA CB C 13 17.788 0.08 . . . . . . . . . . 5266 1 197 . 1 1 54 54 THR N N 15 115.475 0.08 . . . . . . . . . . 5266 1 198 . 1 1 54 54 THR H H 1 8.199 0.01 . . . . . . . . . . 5266 1 199 . 1 1 54 54 THR CA C 13 66.160 0.08 . . . . . . . . . . 5266 1 200 . 1 1 54 54 THR CB C 13 68.546 0.08 . . . . . . . . . . 5266 1 201 . 1 1 55 55 VAL N N 15 122.505 0.08 . . . . . . . . . . 5266 1 202 . 1 1 55 55 VAL H H 1 8.515 0.01 . . . . . . . . . . 5266 1 203 . 1 1 55 55 VAL CA C 13 67.687 0.08 . . . . . . . . . . 5266 1 204 . 1 1 55 55 VAL CB C 13 31.325 0.08 . . . . . . . . . . 5266 1 205 . 1 1 56 56 ASP N N 15 119.881 0.08 . . . . . . . . . . 5266 1 206 . 1 1 56 56 ASP H H 1 8.535 0.01 . . . . . . . . . . 5266 1 207 . 1 1 56 56 ASP CA C 13 58.032 0.08 . . . . . . . . . . 5266 1 208 . 1 1 56 56 ASP CB C 13 40.367 0.08 . . . . . . . . . . 5266 1 209 . 1 1 57 57 GLU N N 15 115.410 0.08 . . . . . . . . . . 5266 1 210 . 1 1 57 57 GLU H H 1 7.836 0.01 . . . . . . . . . . 5266 1 211 . 1 1 57 57 GLU CA C 13 58.275 0.08 . . . . . . . . . . 5266 1 212 . 1 1 57 57 GLU CB C 13 29.848 0.08 . . . . . . . . . . 5266 1 213 . 1 1 58 58 SER N N 15 112.526 0.08 . . . . . . . . . . 5266 1 214 . 1 1 58 58 SER H H 1 7.821 0.01 . . . . . . . . . . 5266 1 215 . 1 1 58 58 SER CA C 13 60.022 0.08 . . . . . . . . . . 5266 1 216 . 1 1 58 58 SER CB C 13 64.084 0.08 . . . . . . . . . . 5266 1 217 . 1 1 59 59 LEU N N 15 120.626 0.08 . . . . . . . . . . 5266 1 218 . 1 1 59 59 LEU H H 1 7.579 0.01 . . . . . . . . . . 5266 1 219 . 1 1 59 59 LEU CA C 13 60.022 0.08 . . . . . . . . . . 5266 1 220 . 1 1 59 59 LEU CB C 13 39.623 0.08 . . . . . . . . . . 5266 1 221 . 1 1 60 60 PRO CA C 13 65.747 0.08 . . . . . . . . . . 5266 1 222 . 1 1 60 60 PRO CB C 13 31.917 0.08 . . . . . . . . . . 5266 1 223 . 1 1 61 61 VAL N N 15 108.152 0.08 . . . . . . . . . . 5266 1 224 . 1 1 61 61 VAL H H 1 7.496 0.01 . . . . . . . . . . 5266 1 225 . 1 1 61 61 VAL CA C 13 61.402 0.08 . . . . . . . . . . 5266 1 226 . 1 1 61 61 VAL CB C 13 31.781 0.08 . . . . . . . . . . 5266 1 227 . 1 1 62 62 LEU N N 15 120.788 0.08 . . . . . . . . . . 5266 1 228 . 1 1 62 62 LEU H H 1 7.913 0.01 . . . . . . . . . . 5266 1 229 . 1 1 62 62 LEU CA C 13 52.486 0.08 . . . . . . . . . . 5266 1 230 . 1 1 62 62 LEU CB C 13 41.301 0.08 . . . . . . . . . . 5266 1 231 . 1 1 64 64 ALA CA C 13 54.668 0.08 . . . . . . . . . . 5266 1 232 . 1 1 64 64 ALA CB C 13 17.774 0.08 . . . . . . . . . . 5266 1 233 . 1 1 65 65 SER CA C 13 60.493 0.08 . . . . . . . . . . 5266 1 234 . 1 1 66 66 THR N N 15 111.198 0.08 . . . . . . . . . . 5266 1 235 . 1 1 66 66 THR H H 1 8.170 0.01 . . . . . . . . . . 5266 1 236 . 1 1 66 66 THR CA C 13 62.842 0.08 . . . . . . . . . . 5266 1 237 . 1 1 66 66 THR CB C 13 70.856 0.08 . . . . . . . . . . 5266 1 238 . 1 1 67 67 HIS N N 15 119.298 0.08 . . . . . . . . . . 5266 1 239 . 1 1 67 67 HIS H H 1 7.682 0.01 . . . . . . . . . . 5266 1 240 . 1 1 67 67 HIS CA C 13 59.097 0.08 . . . . . . . . . . 5266 1 241 . 1 1 67 67 HIS CB C 13 31.085 0.08 . . . . . . . . . . 5266 1 242 . 1 1 68 68 ARG H H 1 8.775 0.01 . . . . . . . . . . 5266 1 243 . 1 1 68 68 ARG CA C 13 59.949 0.08 . . . . . . . . . . 5266 1 244 . 1 1 68 68 ARG CB C 13 29.088 0.08 . . . . . . . . . . 5266 1 245 . 1 1 68 68 ARG NE N 15 117.840 0.08 . . . . . . . . . . 5266 1 246 . 1 1 69 69 GLU N N 15 117.580 0.08 . . . . . . . . . . 5266 1 247 . 1 1 69 69 GLU H H 1 8.285 0.01 . . . . . . . . . . 5266 1 248 . 1 1 69 69 GLU CA C 13 59.655 0.08 . . . . . . . . . . 5266 1 249 . 1 1 69 69 GLU CB C 13 29.480 0.08 . . . . . . . . . . 5266 1 250 . 1 1 70 70 ILE N N 15 119.816 0.08 . . . . . . . . . . 5266 1 251 . 1 1 70 70 ILE H H 1 7.863 0.01 . . . . . . . . . . 5266 1 252 . 1 1 70 70 ILE CA C 13 65.986 0.08 . . . . . . . . . . 5266 1 253 . 1 1 70 70 ILE CB C 13 37.828 0.08 . . . . . . . . . . 5266 1 254 . 1 1 71 71 GLU N N 15 119.816 0.08 . . . . . . . . . . 5266 1 255 . 1 1 71 71 GLU H H 1 8.884 0.01 . . . . . . . . . . 5266 1 256 . 1 1 71 71 GLU CA C 13 60.021 0.08 . . . . . . . . . . 5266 1 257 . 1 1 71 71 GLU CB C 13 29.348 0.08 . . . . . . . . . . 5266 1 258 . 1 1 72 72 MET N N 15 116.479 0.08 . . . . . . . . . . 5266 1 259 . 1 1 72 72 MET H H 1 8.380 0.01 . . . . . . . . . . 5266 1 260 . 1 1 72 72 MET CA C 13 58.422 0.08 . . . . . . . . . . 5266 1 261 . 1 1 72 72 MET CB C 13 32.236 0.08 . . . . . . . . . . 5266 1 262 . 1 1 73 73 ALA N N 15 121.533 0.08 . . . . . . . . . . 5266 1 263 . 1 1 73 73 ALA H H 1 7.868 0.01 . . . . . . . . . . 5266 1 264 . 1 1 73 73 ALA CA C 13 54.852 0.08 . . . . . . . . . . 5266 1 265 . 1 1 73 73 ALA CB C 13 18.672 0.08 . . . . . . . . . . 5266 1 266 . 1 1 74 74 GLN N N 15 115.928 0.08 . . . . . . . . . . 5266 1 267 . 1 1 74 74 GLN H H 1 8.356 0.01 . . . . . . . . . . 5266 1 268 . 1 1 74 74 GLN CA C 13 59.880 0.08 . . . . . . . . . . 5266 1 269 . 1 1 74 74 GLN CB C 13 30.721 0.08 . . . . . . . . . . 5266 1 270 . 1 1 75 75 LYS N N 15 118.261 0.08 . . . . . . . . . . 5266 1 271 . 1 1 75 75 LYS H H 1 8.165 0.01 . . . . . . . . . . 5266 1 272 . 1 1 75 75 LYS CA C 13 59.887 0.08 . . . . . . . . . . 5266 1 273 . 1 1 75 75 LYS CB C 13 32.310 0.08 . . . . . . . . . . 5266 1 274 . 1 1 76 76 LEU N N 15 118.453 0.08 . . . . . . . . . . 5266 1 275 . 1 1 76 76 LEU H H 1 7.787 0.01 . . . . . . . . . . 5266 1 276 . 1 1 76 76 LEU CA C 13 57.654 0.08 . . . . . . . . . . 5266 1 277 . 1 1 76 76 LEU CB C 13 41.573 0.08 . . . . . . . . . . 5266 1 278 . 1 1 77 77 LEU N N 15 115.863 0.08 . . . . . . . . . . 5266 1 279 . 1 1 77 77 LEU H H 1 7.293 0.01 . . . . . . . . . . 5266 1 280 . 1 1 77 77 LEU CA C 13 57.980 0.08 . . . . . . . . . . 5266 1 281 . 1 1 77 77 LEU CB C 13 40.801 0.08 . . . . . . . . . . 5266 1 282 . 1 1 78 78 ASN N N 15 116.868 0.08 . . . . . . . . . . 5266 1 283 . 1 1 78 78 ASN H H 1 7.636 0.01 . . . . . . . . . . 5266 1 284 . 1 1 78 78 ASN CA C 13 55.909 0.08 . . . . . . . . . . 5266 1 285 . 1 1 78 78 ASN CB C 13 37.640 0.08 . . . . . . . . . . 5266 1 286 . 1 1 79 79 SER N N 15 115.861 0.08 . . . . . . . . . . 5266 1 287 . 1 1 79 79 SER H H 1 8.372 0.01 . . . . . . . . . . 5266 1 288 . 1 1 79 79 SER CA C 13 62.099 0.08 . . . . . . . . . . 5266 1 289 . 1 1 79 79 SER CB C 13 62.238 0.08 . . . . . . . . . . 5266 1 290 . 1 1 80 80 ASP N N 15 121.566 0.08 . . . . . . . . . . 5266 1 291 . 1 1 80 80 ASP H H 1 8.784 0.01 . . . . . . . . . . 5266 1 292 . 1 1 80 80 ASP CA C 13 55.943 0.08 . . . . . . . . . . 5266 1 293 . 1 1 80 80 ASP CB C 13 38.434 0.08 . . . . . . . . . . 5266 1 294 . 1 1 81 81 LEU N N 15 121.015 0.08 . . . . . . . . . . 5266 1 295 . 1 1 81 81 LEU H H 1 8.542 0.01 . . . . . . . . . . 5266 1 296 . 1 1 81 81 LEU CA C 13 57.391 0.08 . . . . . . . . . . 5266 1 297 . 1 1 81 81 LEU CB C 13 40.773 0.08 . . . . . . . . . . 5266 1 298 . 1 1 82 82 ALA N N 15 120.496 0.08 . . . . . . . . . . 5266 1 299 . 1 1 82 82 ALA H H 1 8.711 0.01 . . . . . . . . . . 5266 1 300 . 1 1 82 82 ALA CA C 13 55.760 0.08 . . . . . . . . . . 5266 1 301 . 1 1 82 82 ALA CB C 13 17.709 0.08 . . . . . . . . . . 5266 1 302 . 1 1 83 83 GLU N N 15 117.580 0.08 . . . . . . . . . . 5266 1 303 . 1 1 83 83 GLU H H 1 8.088 0.01 . . . . . . . . . . 5266 1 304 . 1 1 83 83 GLU CA C 13 59.007 0.08 . . . . . . . . . . 5266 1 305 . 1 1 83 83 GLU CB C 13 29.207 0.08 . . . . . . . . . . 5266 1 306 . 1 1 84 84 LEU N N 15 119.686 0.08 . . . . . . . . . . 5266 1 307 . 1 1 84 84 LEU H H 1 8.065 0.01 . . . . . . . . . . 5266 1 308 . 1 1 84 84 LEU CA C 13 59.080 0.08 . . . . . . . . . . 5266 1 309 . 1 1 84 84 LEU CB C 13 41.739 0.08 . . . . . . . . . . 5266 1 310 . 1 1 85 85 ILE N N 15 117.224 0.08 . . . . . . . . . . 5266 1 311 . 1 1 85 85 ILE H H 1 8.719 0.01 . . . . . . . . . . 5266 1 312 . 1 1 85 85 ILE CA C 13 66.094 0.08 . . . . . . . . . . 5266 1 313 . 1 1 85 85 ILE CB C 13 38.382 0.08 . . . . . . . . . . 5266 1 314 . 1 1 86 86 ASN N N 15 117.645 0.08 . . . . . . . . . . 5266 1 315 . 1 1 86 86 ASN H H 1 8.492 0.01 . . . . . . . . . . 5266 1 316 . 1 1 86 86 ASN CA C 13 56.755 0.08 . . . . . . . . . . 5266 1 317 . 1 1 86 86 ASN CB C 13 38.357 0.08 . . . . . . . . . . 5266 1 318 . 1 1 87 87 LYS N N 15 115.863 0.08 . . . . . . . . . . 5266 1 319 . 1 1 87 87 LYS H H 1 8.674 0.01 . . . . . . . . . . 5266 1 320 . 1 1 87 87 LYS CA C 13 57.607 0.08 . . . . . . . . . . 5266 1 321 . 1 1 87 87 LYS CB C 13 30.679 0.08 . . . . . . . . . . 5266 1 322 . 1 1 88 88 MET N N 15 120.691 0.08 . . . . . . . . . . 5266 1 323 . 1 1 88 88 MET H H 1 8.617 0.01 . . . . . . . . . . 5266 1 324 . 1 1 88 88 MET CA C 13 59.324 0.08 . . . . . . . . . . 5266 1 325 . 1 1 88 88 MET CB C 13 33.743 0.08 . . . . . . . . . . 5266 1 326 . 1 1 89 89 LYS N N 15 117.030 0.08 . . . . . . . . . . 5266 1 327 . 1 1 89 89 LYS H H 1 8.443 0.01 . . . . . . . . . . 5266 1 328 . 1 1 89 89 LYS CA C 13 59.846 0.08 . . . . . . . . . . 5266 1 329 . 1 1 89 89 LYS CB C 13 32.292 0.08 . . . . . . . . . . 5266 1 330 . 1 1 90 90 LEU N N 15 119.330 0.08 . . . . . . . . . . 5266 1 331 . 1 1 90 90 LEU H H 1 7.649 0.01 . . . . . . . . . . 5266 1 332 . 1 1 90 90 LEU CA C 13 58.193 0.08 . . . . . . . . . . 5266 1 333 . 1 1 90 90 LEU CB C 13 40.633 0.08 . . . . . . . . . . 5266 1 334 . 1 1 91 91 ALA N N 15 119.946 0.08 . . . . . . . . . . 5266 1 335 . 1 1 91 91 ALA H H 1 8.490 0.01 . . . . . . . . . . 5266 1 336 . 1 1 91 91 ALA CA C 13 56.027 0.08 . . . . . . . . . . 5266 1 337 . 1 1 91 91 ALA CB C 13 17.804 0.08 . . . . . . . . . . 5266 1 338 . 1 1 92 92 GLN N N 15 111.975 0.08 . . . . . . . . . . 5266 1 339 . 1 1 92 92 GLN H H 1 8.091 0.01 . . . . . . . . . . 5266 1 340 . 1 1 92 92 GLN CA C 13 58.656 0.08 . . . . . . . . . . 5266 1 341 . 1 1 92 92 GLN CB C 13 29.277 0.08 . . . . . . . . . . 5266 1 342 . 1 1 93 93 GLN N N 15 117.872 0.08 . . . . . . . . . . 5266 1 343 . 1 1 93 93 GLN H H 1 8.098 0.01 . . . . . . . . . . 5266 1 344 . 1 1 93 93 GLN CA C 13 57.997 0.08 . . . . . . . . . . 5266 1 345 . 1 1 93 93 GLN CB C 13 29.049 0.08 . . . . . . . . . . 5266 1 346 . 1 1 94 94 TYR N N 15 114.600 0.08 . . . . . . . . . . 5266 1 347 . 1 1 94 94 TYR H H 1 7.933 0.01 . . . . . . . . . . 5266 1 348 . 1 1 94 94 TYR CA C 13 58.497 0.08 . . . . . . . . . . 5266 1 349 . 1 1 94 94 TYR CB C 13 36.997 0.08 . . . . . . . . . . 5266 1 350 . 1 1 95 95 VAL N N 15 118.617 0.08 . . . . . . . . . . 5266 1 351 . 1 1 95 95 VAL H H 1 7.277 0.01 . . . . . . . . . . 5266 1 352 . 1 1 95 95 VAL CA C 13 63.452 0.08 . . . . . . . . . . 5266 1 353 . 1 1 95 95 VAL CB C 13 32.461 0.08 . . . . . . . . . . 5266 1 354 . 1 1 96 96 MET N N 15 116.576 0.08 . . . . . . . . . . 5266 1 355 . 1 1 96 96 MET H H 1 8.635 0.01 . . . . . . . . . . 5266 1 356 . 1 1 96 96 MET CA C 13 56.499 0.08 . . . . . . . . . . 5266 1 357 . 1 1 96 96 MET CB C 13 31.085 0.08 . . . . . . . . . . 5266 1 358 . 1 1 97 97 THR CA C 13 61.743 0.08 . . . . . . . . . . 5266 1 359 . 1 1 97 97 THR CB C 13 72.758 0.08 . . . . . . . . . . 5266 1 360 . 1 1 98 98 SER CA C 13 60.561 0.08 . . . . . . . . . . 5266 1 361 . 1 1 99 99 LEU N N 15 120.723 0.08 . . . . . . . . . . 5266 1 362 . 1 1 99 99 LEU H H 1 7.888 0.01 . . . . . . . . . . 5266 1 363 . 1 1 99 99 LEU CA C 13 56.119 0.08 . . . . . . . . . . 5266 1 364 . 1 1 99 99 LEU CB C 13 42.815 0.08 . . . . . . . . . . 5266 1 365 . 1 1 100 100 GLN N N 15 118.520 0.08 . . . . . . . . . . 5266 1 366 . 1 1 100 100 GLN H H 1 7.885 0.01 . . . . . . . . . . 5266 1 367 . 1 1 100 100 GLN CA C 13 60.622 0.08 . . . . . . . . . . 5266 1 368 . 1 1 100 100 GLN CB C 13 28.604 0.08 . . . . . . . . . . 5266 1 369 . 1 1 101 101 GLN N N 15 114.146 0.08 . . . . . . . . . . 5266 1 370 . 1 1 101 101 GLN H H 1 8.272 0.01 . . . . . . . . . . 5266 1 371 . 1 1 101 101 GLN CA C 13 58.639 0.08 . . . . . . . . . . 5266 1 372 . 1 1 101 101 GLN CB C 13 28.073 0.08 . . . . . . . . . . 5266 1 373 . 1 1 102 102 GLU N N 15 118.974 0.08 . . . . . . . . . . 5266 1 374 . 1 1 102 102 GLU H H 1 7.489 0.01 . . . . . . . . . . 5266 1 375 . 1 1 102 102 GLU CA C 13 58.563 0.08 . . . . . . . . . . 5266 1 376 . 1 1 102 102 GLU CB C 13 28.566 0.08 . . . . . . . . . . 5266 1 377 . 1 1 103 103 TYR N N 15 115.993 0.08 . . . . . . . . . . 5266 1 378 . 1 1 103 103 TYR H H 1 7.984 0.01 . . . . . . . . . . 5266 1 379 . 1 1 103 103 TYR CA C 13 62.166 0.08 . . . . . . . . . . 5266 1 380 . 1 1 103 103 TYR CB C 13 37.073 0.08 . . . . . . . . . . 5266 1 381 . 1 1 104 104 LYS N N 15 120.043 0.08 . . . . . . . . . . 5266 1 382 . 1 1 104 104 LYS H H 1 8.432 0.01 . . . . . . . . . . 5266 1 383 . 1 1 104 104 LYS CA C 13 60.728 0.08 . . . . . . . . . . 5266 1 384 . 1 1 104 104 LYS CB C 13 32.724 0.08 . . . . . . . . . . 5266 1 385 . 1 1 105 105 LYS N N 15 117.904 0.08 . . . . . . . . . . 5266 1 386 . 1 1 105 105 LYS H H 1 7.864 0.01 . . . . . . . . . . 5266 1 387 . 1 1 105 105 LYS CA C 13 60.161 0.08 . . . . . . . . . . 5266 1 388 . 1 1 105 105 LYS CB C 13 31.625 0.08 . . . . . . . . . . 5266 1 389 . 1 1 106 106 GLN N N 15 116.803 0.08 . . . . . . . . . . 5266 1 390 . 1 1 106 106 GLN H H 1 8.068 0.01 . . . . . . . . . . 5266 1 391 . 1 1 106 106 GLN CA C 13 59.309 0.08 . . . . . . . . . . 5266 1 392 . 1 1 106 106 GLN CB C 13 27.947 0.08 . . . . . . . . . . 5266 1 393 . 1 1 107 107 MET N N 15 120.334 0.08 . . . . . . . . . . 5266 1 394 . 1 1 107 107 MET H H 1 8.544 0.01 . . . . . . . . . . 5266 1 395 . 1 1 107 107 MET CA C 13 60.250 0.08 . . . . . . . . . . 5266 1 396 . 1 1 107 107 MET CB C 13 33.439 0.08 . . . . . . . . . . 5266 1 397 . 1 1 108 108 LEU N N 15 118.002 0.08 . . . . . . . . . . 5266 1 398 . 1 1 108 108 LEU H H 1 7.996 0.01 . . . . . . . . . . 5266 1 399 . 1 1 108 108 LEU CA C 13 58.486 0.08 . . . . . . . . . . 5266 1 400 . 1 1 108 108 LEU CB C 13 41.017 0.08 . . . . . . . . . . 5266 1 401 . 1 1 109 109 THR N N 15 116.123 0.08 . . . . . . . . . . 5266 1 402 . 1 1 109 109 THR H H 1 8.473 0.01 . . . . . . . . . . 5266 1 403 . 1 1 109 109 THR CA C 13 66.783 0.08 . . . . . . . . . . 5266 1 404 . 1 1 109 109 THR CB C 13 68.739 0.08 . . . . . . . . . . 5266 1 405 . 1 1 110 110 ALA N N 15 123.639 0.08 . . . . . . . . . . 5266 1 406 . 1 1 110 110 ALA H H 1 7.962 0.01 . . . . . . . . . . 5266 1 407 . 1 1 110 110 ALA CA C 13 54.869 0.08 . . . . . . . . . . 5266 1 408 . 1 1 110 110 ALA CB C 13 17.597 0.08 . . . . . . . . . . 5266 1 409 . 1 1 111 111 ALA N N 15 119.298 0.08 . . . . . . . . . . 5266 1 410 . 1 1 111 111 ALA H H 1 8.525 0.01 . . . . . . . . . . 5266 1 411 . 1 1 111 111 ALA CA C 13 54.889 0.08 . . . . . . . . . . 5266 1 412 . 1 1 111 111 ALA CB C 13 18.242 0.08 . . . . . . . . . . 5266 1 413 . 1 1 112 112 HIS N N 15 116.576 0.08 . . . . . . . . . . 5266 1 414 . 1 1 112 112 HIS H H 1 8.456 0.01 . . . . . . . . . . 5266 1 415 . 1 1 112 112 HIS CA C 13 59.985 0.08 . . . . . . . . . . 5266 1 416 . 1 1 112 112 HIS CB C 13 29.734 0.08 . . . . . . . . . . 5266 1 417 . 1 1 113 113 ALA N N 15 119.298 0.08 . . . . . . . . . . 5266 1 418 . 1 1 113 113 ALA H H 1 7.945 0.01 . . . . . . . . . . 5266 1 419 . 1 1 113 113 ALA CA C 13 55.234 0.08 . . . . . . . . . . 5266 1 420 . 1 1 113 113 ALA CB C 13 17.557 0.08 . . . . . . . . . . 5266 1 421 . 1 1 114 114 LEU N N 15 115.410 0.08 . . . . . . . . . . 5266 1 422 . 1 1 114 114 LEU H H 1 7.578 0.01 . . . . . . . . . . 5266 1 423 . 1 1 114 114 LEU CA C 13 58.066 0.08 . . . . . . . . . . 5266 1 424 . 1 1 114 114 LEU CB C 13 42.558 0.08 . . . . . . . . . . 5266 1 425 . 1 1 115 115 ALA N N 15 117.321 0.08 . . . . . . . . . . 5266 1 426 . 1 1 115 115 ALA H H 1 7.589 0.01 . . . . . . . . . . 5266 1 427 . 1 1 115 115 ALA CA C 13 55.314 0.08 . . . . . . . . . . 5266 1 428 . 1 1 115 115 ALA CB C 13 19.294 0.08 . . . . . . . . . . 5266 1 429 . 1 1 116 116 VAL N N 15 115.604 0.08 . . . . . . . . . . 5266 1 430 . 1 1 116 116 VAL H H 1 8.105 0.01 . . . . . . . . . . 5266 1 431 . 1 1 116 116 VAL CA C 13 66.689 0.08 . . . . . . . . . . 5266 1 432 . 1 1 116 116 VAL CB C 13 31.675 0.08 . . . . . . . . . . 5266 1 433 . 1 1 117 117 ASP N N 15 119.784 0.08 . . . . . . . . . . 5266 1 434 . 1 1 117 117 ASP H H 1 9.198 0.01 . . . . . . . . . . 5266 1 435 . 1 1 117 117 ASP CA C 13 56.751 0.08 . . . . . . . . . . 5266 1 436 . 1 1 117 117 ASP CB C 13 38.061 0.08 . . . . . . . . . . 5266 1 437 . 1 1 118 118 ALA N N 15 127.300 0.08 . . . . . . . . . . 5266 1 438 . 1 1 118 118 ALA H H 1 8.571 0.01 . . . . . . . . . . 5266 1 439 . 1 1 118 118 ALA CA C 13 55.528 0.08 . . . . . . . . . . 5266 1 440 . 1 1 118 118 ALA CB C 13 17.950 0.08 . . . . . . . . . . 5266 1 441 . 1 1 119 119 LYS N N 15 118.455 0.08 . . . . . . . . . . 5266 1 442 . 1 1 119 119 LYS H H 1 7.709 0.01 . . . . . . . . . . 5266 1 443 . 1 1 119 119 LYS CA C 13 59.374 0.08 . . . . . . . . . . 5266 1 444 . 1 1 119 119 LYS CB C 13 31.364 0.08 . . . . . . . . . . 5266 1 445 . 1 1 120 120 ASN N N 15 116.349 0.08 . . . . . . . . . . 5266 1 446 . 1 1 120 120 ASN H H 1 8.255 0.01 . . . . . . . . . . 5266 1 447 . 1 1 120 120 ASN CA C 13 56.914 0.08 . . . . . . . . . . 5266 1 448 . 1 1 120 120 ASN CB C 13 38.175 0.08 . . . . . . . . . . 5266 1 449 . 1 1 121 121 LEU N N 15 118.697 0.08 . . . . . . . . . . 5266 1 450 . 1 1 121 121 LEU H H 1 7.794 0.01 . . . . . . . . . . 5266 1 451 . 1 1 121 121 LEU CA C 13 58.207 0.08 . . . . . . . . . . 5266 1 452 . 1 1 121 121 LEU CB C 13 41.087 0.08 . . . . . . . . . . 5266 1 453 . 1 1 122 122 LEU N N 15 118.682 0.08 . . . . . . . . . . 5266 1 454 . 1 1 122 122 LEU H H 1 7.844 0.01 . . . . . . . . . . 5266 1 455 . 1 1 122 122 LEU CA C 13 58.207 0.08 . . . . . . . . . . 5266 1 456 . 1 1 122 122 LEU CB C 13 41.267 0.08 . . . . . . . . . . 5266 1 457 . 1 1 123 123 ASP N N 15 116.835 0.08 . . . . . . . . . . 5266 1 458 . 1 1 123 123 ASP H H 1 8.428 0.01 . . . . . . . . . . 5266 1 459 . 1 1 123 123 ASP CA C 13 58.069 0.08 . . . . . . . . . . 5266 1 460 . 1 1 123 123 ASP CB C 13 39.909 0.08 . . . . . . . . . . 5266 1 461 . 1 1 124 124 VAL N N 15 118.617 0.08 . . . . . . . . . . 5266 1 462 . 1 1 124 124 VAL H H 1 8.197 0.01 . . . . . . . . . . 5266 1 463 . 1 1 124 124 VAL CA C 13 66.464 0.08 . . . . . . . . . . 5266 1 464 . 1 1 124 124 VAL CB C 13 32.121 0.08 . . . . . . . . . . 5266 1 465 . 1 1 125 125 ILE N N 15 121.728 0.08 . . . . . . . . . . 5266 1 466 . 1 1 125 125 ILE H H 1 8.419 0.01 . . . . . . . . . . 5266 1 467 . 1 1 125 125 ILE CA C 13 64.989 0.08 . . . . . . . . . . 5266 1 468 . 1 1 125 125 ILE CB C 13 36.812 0.08 . . . . . . . . . . 5266 1 469 . 1 1 126 126 ASP N N 15 121.339 0.08 . . . . . . . . . . 5266 1 470 . 1 1 126 126 ASP H H 1 9.658 0.01 . . . . . . . . . . 5266 1 471 . 1 1 126 126 ASP CA C 13 57.960 0.08 . . . . . . . . . . 5266 1 472 . 1 1 126 126 ASP CB C 13 40.021 0.08 . . . . . . . . . . 5266 1 473 . 1 1 127 127 GLN N N 15 116.479 0.08 . . . . . . . . . . 5266 1 474 . 1 1 127 127 GLN H H 1 8.180 0.01 . . . . . . . . . . 5266 1 475 . 1 1 127 127 GLN CA C 13 58.865 0.08 . . . . . . . . . . 5266 1 476 . 1 1 127 127 GLN CB C 13 28.302 0.08 . . . . . . . . . . 5266 1 477 . 1 1 128 128 ALA N N 15 122.894 0.08 . . . . . . . . . . 5266 1 478 . 1 1 128 128 ALA H H 1 8.234 0.01 . . . . . . . . . . 5266 1 479 . 1 1 128 128 ALA CA C 13 55.547 0.08 . . . . . . . . . . 5266 1 480 . 1 1 128 128 ALA CB C 13 19.257 0.08 . . . . . . . . . . 5266 1 481 . 1 1 129 129 ARG N N 15 116.155 0.08 . . . . . . . . . . 5266 1 482 . 1 1 129 129 ARG H H 1 8.797 0.01 . . . . . . . . . . 5266 1 483 . 1 1 129 129 ARG CA C 13 59.530 0.08 . . . . . . . . . . 5266 1 484 . 1 1 129 129 ARG CB C 13 30.455 0.08 . . . . . . . . . . 5266 1 485 . 1 1 130 130 LEU N N 15 117.904 0.08 . . . . . . . . . . 5266 1 486 . 1 1 130 130 LEU H H 1 8.083 0.01 . . . . . . . . . . 5266 1 487 . 1 1 130 130 LEU CA C 13 57.558 0.08 . . . . . . . . . . 5266 1 488 . 1 1 130 130 LEU CB C 13 41.637 0.08 . . . . . . . . . . 5266 1 489 . 1 1 131 131 LYS N N 15 118.228 0.08 . . . . . . . . . . 5266 1 490 . 1 1 131 131 LYS H H 1 7.897 0.01 . . . . . . . . . . 5266 1 491 . 1 1 131 131 LYS CA C 13 58.231 0.08 . . . . . . . . . . 5266 1 492 . 1 1 131 131 LYS CB C 13 32.312 0.08 . . . . . . . . . . 5266 1 493 . 1 1 132 132 MET N N 15 116.738 0.08 . . . . . . . . . . 5266 1 494 . 1 1 132 132 MET H H 1 7.883 0.01 . . . . . . . . . . 5266 1 495 . 1 1 132 132 MET CA C 13 57.699 0.08 . . . . . . . . . . 5266 1 496 . 1 1 132 132 MET CB C 13 33.291 0.08 . . . . . . . . . . 5266 1 497 . 1 1 133 133 ILE N N 15 117.354 0.08 . . . . . . . . . . 5266 1 498 . 1 1 133 133 ILE H H 1 7.960 0.01 . . . . . . . . . . 5266 1 499 . 1 1 133 133 ILE CA C 13 62.844 0.08 . . . . . . . . . . 5266 1 500 . 1 1 133 133 ILE CB C 13 38.551 0.08 . . . . . . . . . . 5266 1 501 . 1 1 134 134 SER N N 15 115.507 0.08 . . . . . . . . . . 5266 1 502 . 1 1 134 134 SER H H 1 8.164 0.01 . . . . . . . . . . 5266 1 503 . 1 1 134 134 SER CA C 13 59.578 0.08 . . . . . . . . . . 5266 1 504 . 1 1 134 134 SER CB C 13 63.628 0.08 . . . . . . . . . . 5266 1 505 . 1 1 135 135 GLN N N 15 119.138 0.08 . . . . . . . . . . 5266 1 506 . 1 1 135 135 GLN H H 1 8.152 0.01 . . . . . . . . . . 5266 1 507 . 1 1 135 135 GLN CA C 13 56.164 0.08 . . . . . . . . . . 5266 1 508 . 1 1 135 135 GLN CB C 13 29.230 0.08 . . . . . . . . . . 5266 1 509 . 1 1 136 136 SER CA C 13 58.523 0.08 . . . . . . . . . . 5266 1 510 . 1 1 136 136 SER CB C 13 64.080 0.08 . . . . . . . . . . 5266 1 511 . 1 1 137 137 ARG N N 15 121.825 0.08 . . . . . . . . . . 5266 1 512 . 1 1 137 137 ARG H H 1 8.177 0.01 . . . . . . . . . . 5266 1 513 . 1 1 137 137 ARG CA C 13 54.029 0.08 . . . . . . . . . . 5266 1 514 . 1 1 137 137 ARG CB C 13 30.501 0.08 . . . . . . . . . . 5266 1 515 . 1 1 138 138 PRO CA C 13 63.558 0.08 . . . . . . . . . . 5266 1 516 . 1 1 138 138 PRO CB C 13 32.040 0.08 . . . . . . . . . . 5266 1 517 . 1 1 139 139 HIS N N 15 122.149 0.08 . . . . . . . . . . 5266 1 518 . 1 1 139 139 HIS H H 1 7.948 0.01 . . . . . . . . . . 5266 1 519 . 1 1 139 139 HIS CA C 13 57.256 0.08 . . . . . . . . . . 5266 1 520 . 1 1 139 139 HIS CB C 13 30.647 0.08 . . . . . . . . . . 5266 1 stop_ save_