################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27698 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27698 1 2 '3D HNCO' . . . 27698 1 3 '3D HNCA' . . . 27698 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG C C 13 176.207 0.05 . 1 . . . . . 3 ARG C . 27698 1 2 . 1 1 2 2 ARG CA C 13 56.284 0.1 . 1 . . . . . 3 ARG CA . 27698 1 3 . 1 1 3 3 THR H H 1 8.440 0.01 . 1 . . . . . 4 THR H . 27698 1 4 . 1 1 3 3 THR C C 13 174.524 0.05 . 1 . . . . . 4 THR C . 27698 1 5 . 1 1 3 3 THR CA C 13 61.684 0.1 . 1 . . . . . 4 THR CA . 27698 1 6 . 1 1 3 3 THR N N 15 117.090 0.05 . 1 . . . . . 4 THR N . 27698 1 7 . 1 1 4 4 LYS H H 1 8.435 0.01 . 1 . . . . . 5 LYS H . 27698 1 8 . 1 1 4 4 LYS C C 13 176.449 0.05 . 1 . . . . . 5 LYS C . 27698 1 9 . 1 1 4 4 LYS CA C 13 56.636 0.1 . 1 . . . . . 5 LYS CA . 27698 1 10 . 1 1 4 4 LYS N N 15 123.910 0.05 . 1 . . . . . 5 LYS N . 27698 1 11 . 1 1 5 5 ALA H H 1 8.367 0.01 . 1 . . . . . 6 ALA H . 27698 1 12 . 1 1 5 5 ALA C C 13 177.532 0.05 . 1 . . . . . 6 ALA C . 27698 1 13 . 1 1 5 5 ALA CA C 13 52.710 0.1 . 1 . . . . . 6 ALA CA . 27698 1 14 . 1 1 5 5 ALA N N 15 125.419 0.05 . 1 . . . . . 6 ALA N . 27698 1 15 . 1 1 6 6 ASP H H 1 8.222 0.01 . 1 . . . . . 7 ASP H . 27698 1 16 . 1 1 6 6 ASP C C 13 176.263 0.05 . 1 . . . . . 7 ASP C . 27698 1 17 . 1 1 6 6 ASP CA C 13 54.435 0.1 . 1 . . . . . 7 ASP CA . 27698 1 18 . 1 1 6 6 ASP N N 15 119.371 0.05 . 1 . . . . . 7 ASP N . 27698 1 19 . 1 1 7 7 SER H H 1 8.126 0.01 . 1 . . . . . 8 SER H . 27698 1 20 . 1 1 7 7 SER C C 13 174.148 0.05 . 1 . . . . . 8 SER C . 27698 1 21 . 1 1 7 7 SER CA C 13 58.278 0.1 . 1 . . . . . 8 SER CA . 27698 1 22 . 1 1 7 7 SER N N 15 115.606 0.05 . 1 . . . . . 8 SER N . 27698 1 23 . 1 1 8 8 VAL H H 1 8.140 0.01 . 1 . . . . . 9 VAL H . 27698 1 24 . 1 1 8 8 VAL CA C 13 60.103 0.1 . 1 . . . . . 9 VAL CA . 27698 1 25 . 1 1 8 8 VAL N N 15 123.097 0.05 . 1 . . . . . 9 VAL N . 27698 1 26 . 1 1 9 9 PRO C C 13 177.580 0.05 . 1 . . . . . 10 PRO C . 27698 1 27 . 1 1 9 9 PRO CA C 13 63.650 0.1 . 1 . . . . . 10 PRO CA . 27698 1 28 . 1 1 10 10 GLY H H 1 8.500 0.01 . 1 . . . . . 11 GLY H . 27698 1 29 . 1 1 10 10 GLY C C 13 174.417 0.05 . 1 . . . . . 11 GLY C . 27698 1 30 . 1 1 10 10 GLY CA C 13 45.456 0.1 . 1 . . . . . 11 GLY CA . 27698 1 31 . 1 1 10 10 GLY N N 15 109.318 0.05 . 1 . . . . . 11 GLY N . 27698 1 32 . 1 1 11 11 THR H H 1 7.895 0.01 . 1 . . . . . 12 THR H . 27698 1 33 . 1 1 11 11 THR C C 13 174.342 0.05 . 1 . . . . . 12 THR C . 27698 1 34 . 1 1 11 11 THR CA C 13 62.138 0.1 . 1 . . . . . 12 THR CA . 27698 1 35 . 1 1 11 11 THR N N 15 113.306 0.05 . 1 . . . . . 12 THR N . 27698 1 36 . 1 1 12 12 TYR H H 1 8.238 0.01 . 1 . . . . . 13 TYR H . 27698 1 37 . 1 1 12 12 TYR C C 13 175.451 0.05 . 1 . . . . . 13 TYR C . 27698 1 38 . 1 1 12 12 TYR CA C 13 58.058 0.1 . 1 . . . . . 13 TYR CA . 27698 1 39 . 1 1 12 12 TYR N N 15 123.007 0.05 . 1 . . . . . 13 TYR N . 27698 1 40 . 1 1 13 13 ARG H H 1 8.126 0.01 . 1 . . . . . 14 ARG H . 27698 1 41 . 1 1 13 13 ARG C C 13 175.426 0.05 . 1 . . . . . 14 ARG C . 27698 1 42 . 1 1 13 13 ARG CA C 13 55.814 0.1 . 1 . . . . . 14 ARG CA . 27698 1 43 . 1 1 13 13 ARG N N 15 123.617 0.05 . 1 . . . . . 14 ARG N . 27698 1 44 . 1 1 14 14 CYS H H 1 8.286 0.01 . 1 . . . . . 15 CYS H . 27698 1 45 . 1 1 14 14 CYS C C 13 174.513 0.05 . 1 . . . . . 15 CYS C . 27698 1 46 . 1 1 14 14 CYS CA C 13 58.505 0.1 . 1 . . . . . 15 CYS CA . 27698 1 47 . 1 1 14 14 CYS N N 15 121.166 0.05 . 1 . . . . . 15 CYS N . 27698 1 48 . 1 1 15 15 VAL H H 1 8.275 0.01 . 1 . . . . . 16 VAL H . 27698 1 49 . 1 1 15 15 VAL C C 13 176.094 0.05 . 1 . . . . . 16 VAL C . 27698 1 50 . 1 1 15 15 VAL CA C 13 62.522 0.1 . 1 . . . . . 16 VAL CA . 27698 1 51 . 1 1 15 15 VAL N N 15 123.655 0.05 . 1 . . . . . 16 VAL N . 27698 1 52 . 1 1 16 16 VAL H H 1 8.203 0.01 . 1 . . . . . 17 VAL H . 27698 1 53 . 1 1 16 16 VAL C C 13 175.787 0.05 . 1 . . . . . 17 VAL C . 27698 1 54 . 1 1 16 16 VAL CA C 13 62.310 0.1 . 1 . . . . . 17 VAL CA . 27698 1 55 . 1 1 16 16 VAL N N 15 124.695 0.05 . 1 . . . . . 17 VAL N . 27698 1 56 . 1 1 17 17 ALA H H 1 8.351 0.01 . 1 . . . . . 18 ALA H . 27698 1 57 . 1 1 17 17 ALA C C 13 177.333 0.05 . 1 . . . . . 18 ALA C . 27698 1 58 . 1 1 17 17 ALA CA C 13 52.443 0.1 . 1 . . . . . 18 ALA CA . 27698 1 59 . 1 1 17 17 ALA N N 15 128.384 0.05 . 1 . . . . . 18 ALA N . 27698 1 60 . 1 1 18 18 ALA H H 1 8.229 0.01 . 1 . . . . . 19 ALA H . 27698 1 61 . 1 1 18 18 ALA C C 13 177.627 0.05 . 1 . . . . . 19 ALA C . 27698 1 62 . 1 1 18 18 ALA CA C 13 52.483 0.1 . 1 . . . . . 19 ALA CA . 27698 1 63 . 1 1 18 18 ALA N N 15 123.623 0.05 . 1 . . . . . 19 ALA N . 27698 1 64 . 1 1 19 19 ARG H H 1 8.228 0.01 . 1 . . . . . 20 ARG H . 27698 1 65 . 1 1 19 19 ARG C C 13 175.682 0.05 . 1 . . . . . 20 ARG C . 27698 1 66 . 1 1 19 19 ARG CA C 13 55.704 0.1 . 1 . . . . . 20 ARG CA . 27698 1 67 . 1 1 19 19 ARG N N 15 120.304 0.05 . 1 . . . . . 20 ARG N . 27698 1 68 . 1 1 20 20 ALA H H 1 8.281 0.01 . 1 . . . . . 21 ALA H . 27698 1 69 . 1 1 20 20 ALA CA C 13 50.554 0.1 . 1 . . . . . 21 ALA CA . 27698 1 70 . 1 1 20 20 ALA N N 15 126.885 0.05 . 1 . . . . . 21 ALA N . 27698 1 71 . 1 1 21 21 PRO C C 13 176.875 0.05 . 1 . . . . . 22 PRO C . 27698 1 72 . 1 1 21 21 PRO CA C 13 63.032 0.1 . 1 . . . . . 22 PRO CA . 27698 1 73 . 1 1 22 22 ARG H H 1 8.417 0.01 . 1 . . . . . 23 ARG H . 27698 1 74 . 1 1 22 22 ARG C C 13 176.225 0.05 . 1 . . . . . 23 ARG C . 27698 1 75 . 1 1 22 22 ARG CA C 13 56.275 0.1 . 1 . . . . . 23 ARG CA . 27698 1 76 . 1 1 22 22 ARG N N 15 121.113 0.05 . 1 . . . . . 23 ARG N . 27698 1 77 . 1 1 23 23 CYS H H 1 8.396 0.01 . 1 . . . . . 24 CYS H . 27698 1 78 . 1 1 23 23 CYS C C 13 174.496 0.05 . 1 . . . . . 24 CYS C . 27698 1 79 . 1 1 23 23 CYS CA C 13 58.364 0.1 . 1 . . . . . 24 CYS CA . 27698 1 80 . 1 1 23 23 CYS N N 15 121.034 0.05 . 1 . . . . . 24 CYS N . 27698 1 81 . 1 1 24 24 VAL H H 1 8.318 0.01 . 1 . . . . . 25 VAL H . 27698 1 82 . 1 1 24 24 VAL C C 13 176.098 0.05 . 1 . . . . . 25 VAL C . 27698 1 83 . 1 1 24 24 VAL CA C 13 62.388 0.1 . 1 . . . . . 25 VAL CA . 27698 1 84 . 1 1 24 24 VAL N N 15 123.453 0.05 . 1 . . . . . 25 VAL N . 27698 1 85 . 1 1 25 25 LEU H H 1 8.367 0.01 . 1 . . . . . 26 LEU H . 27698 1 86 . 1 1 25 25 LEU C C 13 177.846 0.05 . 1 . . . . . 26 LEU C . 27698 1 87 . 1 1 25 25 LEU CA C 13 55.375 0.1 . 1 . . . . . 26 LEU CA . 27698 1 88 . 1 1 25 25 LEU N N 15 126.389 0.05 . 1 . . . . . 26 LEU N . 27698 1 89 . 1 1 26 26 GLY H H 1 8.438 0.01 . 1 . . . . . 27 GLY H . 27698 1 90 . 1 1 26 26 GLY C C 13 174.175 0.05 . 1 . . . . . 27 GLY C . 27698 1 91 . 1 1 26 26 GLY CA C 13 45.360 0.1 . 1 . . . . . 27 GLY CA . 27698 1 92 . 1 1 26 26 GLY N N 15 110.266 0.05 . 1 . . . . . 27 GLY N . 27698 1 93 . 1 1 27 27 SER H H 1 8.211 0.01 . 1 . . . . . 28 SER H . 27698 1 94 . 1 1 27 27 SER C C 13 174.895 0.05 . 1 . . . . . 28 SER C . 27698 1 95 . 1 1 27 27 SER CA C 13 58.309 0.1 . 1 . . . . . 28 SER CA . 27698 1 96 . 1 1 27 27 SER N N 15 115.448 0.05 . 1 . . . . . 28 SER N . 27698 1 97 . 1 1 28 28 SER H H 1 8.478 0.01 . 1 . . . . . 29 SER H . 27698 1 98 . 1 1 28 28 SER C C 13 174.989 0.05 . 1 . . . . . 29 SER C . 27698 1 99 . 1 1 28 28 SER CA C 13 58.609 0.1 . 1 . . . . . 29 SER CA . 27698 1 100 . 1 1 28 28 SER N N 15 117.947 0.05 . 1 . . . . . 29 SER N . 27698 1 101 . 1 1 29 29 THR H H 1 8.229 0.01 . 1 . . . . . 30 THR H . 27698 1 102 . 1 1 29 29 THR C C 13 174.719 0.05 . 1 . . . . . 30 THR C . 27698 1 103 . 1 1 29 29 THR CA C 13 61.971 0.1 . 1 . . . . . 30 THR CA . 27698 1 104 . 1 1 29 29 THR N N 15 115.543 0.05 . 1 . . . . . 30 THR N . 27698 1 105 . 1 1 30 30 SER H H 1 8.276 0.01 . 1 . . . . . 31 SER H . 27698 1 106 . 1 1 30 30 SER C C 13 174.438 0.05 . 1 . . . . . 31 SER C . 27698 1 107 . 1 1 30 30 SER CA C 13 58.467 0.1 . 1 . . . . . 31 SER CA . 27698 1 108 . 1 1 30 30 SER N N 15 118.025 0.05 . 1 . . . . . 31 SER N . 27698 1 109 . 1 1 31 31 ALA H H 1 8.374 0.01 . 1 . . . . . 32 ALA H . 27698 1 110 . 1 1 31 31 ALA C C 13 178.098 0.05 . 1 . . . . . 32 ALA C . 27698 1 111 . 1 1 31 31 ALA CA C 13 52.824 0.1 . 1 . . . . . 32 ALA CA . 27698 1 112 . 1 1 31 31 ALA N N 15 126.222 0.05 . 1 . . . . . 32 ALA N . 27698 1 113 . 1 1 32 32 THR H H 1 8.120 0.01 . 1 . . . . . 33 THR H . 27698 1 114 . 1 1 32 32 THR C C 13 174.491 0.05 . 1 . . . . . 33 THR C . 27698 1 115 . 1 1 32 32 THR CA C 13 61.983 0.1 . 1 . . . . . 33 THR CA . 27698 1 116 . 1 1 32 32 THR N N 15 112.806 0.05 . 1 . . . . . 33 THR N . 27698 1 117 . 1 1 33 33 ASN H H 1 8.386 0.01 . 1 . . . . . 34 ASN H . 27698 1 118 . 1 1 33 33 ASN C C 13 175.381 0.05 . 1 . . . . . 34 ASN C . 27698 1 119 . 1 1 33 33 ASN CA C 13 53.349 0.1 . 1 . . . . . 34 ASN CA . 27698 1 120 . 1 1 33 33 ASN N N 15 120.975 0.05 . 1 . . . . . 34 ASN N . 27698 1 121 . 1 1 34 34 SER H H 1 8.328 0.01 . 1 . . . . . 35 SER H . 27698 1 122 . 1 1 34 34 SER C C 13 174.989 0.05 . 1 . . . . . 35 SER C . 27698 1 123 . 1 1 34 34 SER CA C 13 58.659 0.1 . 1 . . . . . 35 SER CA . 27698 1 124 . 1 1 34 34 SER N N 15 116.338 0.05 . 1 . . . . . 35 SER N . 27698 1 125 . 1 1 35 35 THR H H 1 8.229 0.01 . 1 . . . . . 36 THR H . 27698 1 126 . 1 1 35 35 THR C C 13 174.797 0.05 . 1 . . . . . 36 THR C . 27698 1 127 . 1 1 35 35 THR CA C 13 62.055 0.1 . 1 . . . . . 36 THR CA . 27698 1 128 . 1 1 35 35 THR N N 15 115.542 0.05 . 1 . . . . . 36 THR N . 27698 1 129 . 1 1 36 36 SER H H 1 8.302 0.01 . 1 . . . . . 37 SER H . 27698 1 130 . 1 1 36 36 SER C C 13 174.781 0.05 . 1 . . . . . 37 SER C . 27698 1 131 . 1 1 36 36 SER CA C 13 58.476 0.1 . 1 . . . . . 37 SER CA . 27698 1 132 . 1 1 36 36 SER N N 15 118.290 0.05 . 1 . . . . . 37 SER N . 27698 1 133 . 1 1 37 37 VAL H H 1 8.180 0.01 . 1 . . . . . 38 VAL H . 27698 1 134 . 1 1 37 37 VAL C C 13 176.565 0.05 . 1 . . . . . 38 VAL C . 27698 1 135 . 1 1 37 37 VAL CA C 13 62.720 0.1 . 1 . . . . . 38 VAL CA . 27698 1 136 . 1 1 37 37 VAL N N 15 121.745 0.05 . 1 . . . . . 38 VAL N . 27698 1 137 . 1 1 38 38 SER H H 1 8.357 0.01 . 1 . . . . . 39 SER H . 27698 1 138 . 1 1 38 38 SER C C 13 174.875 0.05 . 1 . . . . . 39 SER C . 27698 1 139 . 1 1 38 38 SER CA C 13 58.626 0.1 . 1 . . . . . 39 SER CA . 27698 1 140 . 1 1 38 38 SER N N 15 118.799 0.05 . 1 . . . . . 39 SER N . 27698 1 141 . 1 1 39 39 SER H H 1 8.288 0.01 . 1 . . . . . 40 SER H . 27698 1 142 . 1 1 39 39 SER C C 13 174.574 0.05 . 1 . . . . . 40 SER C . 27698 1 143 . 1 1 39 39 SER CA C 13 58.598 0.1 . 1 . . . . . 40 SER CA . 27698 1 144 . 1 1 39 39 SER N N 15 118.072 0.05 . 1 . . . . . 40 SER N . 27698 1 145 . 1 1 40 40 ARG H H 1 8.239 0.01 . 1 . . . . . 41 ARG H . 27698 1 146 . 1 1 40 40 ARG C C 13 176.377 0.05 . 1 . . . . . 41 ARG C . 27698 1 147 . 1 1 40 40 ARG CA C 13 56.364 0.1 . 1 . . . . . 41 ARG CA . 27698 1 148 . 1 1 40 40 ARG N N 15 122.929 0.05 . 1 . . . . . 41 ARG N . 27698 1 149 . 1 1 41 41 LYS H H 1 8.284 0.01 . 1 . . . . . 42 LYS H . 27698 1 150 . 1 1 41 41 LYS C C 13 176.429 0.05 . 1 . . . . . 42 LYS C . 27698 1 151 . 1 1 41 41 LYS CA C 13 56.481 0.1 . 1 . . . . . 42 LYS CA . 27698 1 152 . 1 1 41 41 LYS N N 15 122.867 0.05 . 1 . . . . . 42 LYS N . 27698 1 153 . 1 1 42 42 ALA H H 1 8.326 0.01 . 1 . . . . . 43 ALA H . 27698 1 154 . 1 1 42 42 ALA C C 13 177.729 0.05 . 1 . . . . . 43 ALA C . 27698 1 155 . 1 1 42 42 ALA CA C 13 52.639 0.1 . 1 . . . . . 43 ALA CA . 27698 1 156 . 1 1 42 42 ALA N N 15 125.410 0.05 . 1 . . . . . 43 ALA N . 27698 1 157 . 1 1 43 43 GLU H H 1 8.386 0.01 . 1 . . . . . 44 GLU H . 27698 1 158 . 1 1 43 43 GLU C C 13 176.321 0.05 . 1 . . . . . 44 GLU C . 27698 1 159 . 1 1 43 43 GLU CA C 13 56.609 0.1 . 1 . . . . . 44 GLU CA . 27698 1 160 . 1 1 43 43 GLU N N 15 120.213 0.05 . 1 . . . . . 44 GLU N . 27698 1 161 . 1 1 44 44 ASN H H 1 8.418 0.01 . 1 . . . . . 45 ASN H . 27698 1 162 . 1 1 44 44 ASN C C 13 175.275 0.05 . 1 . . . . . 45 ASN C . 27698 1 163 . 1 1 44 44 ASN CA C 13 53.226 0.1 . 1 . . . . . 45 ASN CA . 27698 1 164 . 1 1 44 44 ASN N N 15 119.998 0.05 . 1 . . . . . 45 ASN N . 27698 1 165 . 1 1 45 45 LYS H H 1 8.262 0.01 . 1 . . . . . 46 LYS H . 27698 1 166 . 1 1 45 45 LYS C C 13 176.282 0.05 . 1 . . . . . 46 LYS C . 27698 1 167 . 1 1 45 45 LYS CA C 13 56.694 0.1 . 1 . . . . . 46 LYS CA . 27698 1 168 . 1 1 45 45 LYS N N 15 121.947 0.05 . 1 . . . . . 46 LYS N . 27698 1 169 . 1 1 46 46 TYR H H 1 8.193 0.01 . 1 . . . . . 47 TYR H . 27698 1 170 . 1 1 46 46 TYR C C 13 175.801 0.05 . 1 . . . . . 47 TYR C . 27698 1 171 . 1 1 46 46 TYR CA C 13 57.719 0.1 . 1 . . . . . 47 TYR CA . 27698 1 172 . 1 1 46 46 TYR N N 15 120.700 0.05 . 1 . . . . . 47 TYR N . 27698 1 173 . 1 1 47 47 ALA H H 1 8.197 0.01 . 1 . . . . . 48 ALA H . 27698 1 174 . 1 1 47 47 ALA C C 13 177.953 0.05 . 1 . . . . . 48 ALA C . 27698 1 175 . 1 1 47 47 ALA CA C 13 52.631 0.1 . 1 . . . . . 48 ALA CA . 27698 1 176 . 1 1 47 47 ALA N N 15 126.416 0.05 . 1 . . . . . 48 ALA N . 27698 1 177 . 1 1 48 48 GLY H H 1 7.880 0.01 . 1 . . . . . 49 GLY H . 27698 1 178 . 1 1 48 48 GLY C C 13 174.527 0.05 . 1 . . . . . 49 GLY C . 27698 1 179 . 1 1 48 48 GLY CA C 13 45.380 0.1 . 1 . . . . . 49 GLY CA . 27698 1 180 . 1 1 48 48 GLY N N 15 107.762 0.05 . 1 . . . . . 49 GLY N . 27698 1 181 . 1 1 49 49 GLY H H 1 8.171 0.01 . 1 . . . . . 50 GLY H . 27698 1 182 . 1 1 49 49 GLY C C 13 173.563 0.05 . 1 . . . . . 50 GLY C . 27698 1 183 . 1 1 49 49 GLY CA C 13 44.986 0.1 . 1 . . . . . 50 GLY CA . 27698 1 184 . 1 1 49 49 GLY N N 15 108.179 0.05 . 1 . . . . . 50 GLY N . 27698 1 185 . 1 1 50 50 ASN H H 1 8.318 0.01 . 1 . . . . . 51 ASN H . 27698 1 186 . 1 1 50 50 ASN CA C 13 51.382 0.1 . 1 . . . . . 51 ASN CA . 27698 1 187 . 1 1 50 50 ASN N N 15 119.634 0.05 . 1 . . . . . 51 ASN N . 27698 1 188 . 1 1 51 51 PRO C C 13 176.951 0.05 . 1 . . . . . 52 PRO C . 27698 1 189 . 1 1 51 51 PRO CA C 13 63.338 0.1 . 1 . . . . . 52 PRO CA . 27698 1 190 . 1 1 52 52 VAL H H 1 8.152 0.01 . 1 . . . . . 53 VAL H . 27698 1 191 . 1 1 52 52 VAL C C 13 176.250 0.05 . 1 . . . . . 53 VAL C . 27698 1 192 . 1 1 52 52 VAL CA C 13 62.402 0.1 . 1 . . . . . 53 VAL CA . 27698 1 193 . 1 1 52 52 VAL N N 15 119.898 0.05 . 1 . . . . . 53 VAL N . 27698 1 194 . 1 1 53 53 SER H H 1 8.268 0.01 . 1 . . . . . 54 SER H . 27698 1 195 . 1 1 53 53 SER C C 13 174.307 0.05 . 1 . . . . . 54 SER C . 27698 1 196 . 1 1 53 53 SER CA C 13 58.112 0.1 . 1 . . . . . 54 SER CA . 27698 1 197 . 1 1 53 53 SER N N 15 119.257 0.05 . 1 . . . . . 54 SER N . 27698 1 198 . 1 1 54 54 VAL H H 1 8.127 0.01 . 1 . . . . . 55 VAL H . 27698 1 199 . 1 1 54 54 VAL C C 13 175.836 0.05 . 1 . . . . . 55 VAL C . 27698 1 200 . 1 1 54 54 VAL CA C 13 62.057 0.1 . 1 . . . . . 55 VAL CA . 27698 1 201 . 1 1 54 54 VAL N N 15 122.110 0.05 . 1 . . . . . 55 VAL N . 27698 1 202 . 1 1 55 55 ARG H H 1 8.367 0.01 . 1 . . . . . 56 ARG H . 27698 1 203 . 1 1 55 55 ARG CA C 13 53.872 0.1 . 1 . . . . . 56 ARG CA . 27698 1 204 . 1 1 55 55 ARG N N 15 126.170 0.05 . 1 . . . . . 56 ARG N . 27698 1 205 . 1 1 56 56 PRO C C 13 176.729 0.05 . 1 . . . . . 57 PRO C . 27698 1 206 . 1 1 56 56 PRO CA C 13 62.918 0.1 . 1 . . . . . 57 PRO CA . 27698 1 207 . 1 1 57 57 THR H H 1 8.295 0.01 . 1 . . . . . 58 THR H . 27698 1 208 . 1 1 57 57 THR CA C 13 59.982 0.1 . 1 . . . . . 58 THR CA . 27698 1 209 . 1 1 57 57 THR N N 15 117.776 0.05 . 1 . . . . . 58 THR N . 27698 1 210 . 1 1 58 58 PRO C C 13 176.940 0.05 . 1 . . . . . 59 PRO C . 27698 1 211 . 1 1 58 58 PRO CA C 13 63.150 0.1 . 1 . . . . . 59 PRO CA . 27698 1 212 . 1 1 59 59 LYS H H 1 8.350 0.01 . 1 . . . . . 60 LYS H . 27698 1 213 . 1 1 59 59 LYS C C 13 176.491 0.05 . 1 . . . . . 60 LYS C . 27698 1 214 . 1 1 59 59 LYS CA C 13 56.870 0.1 . 1 . . . . . 60 LYS CA . 27698 1 215 . 1 1 59 59 LYS N N 15 121.549 0.05 . 1 . . . . . 60 LYS N . 27698 1 216 . 1 1 60 60 TRP H H 1 7.900 0.01 . 1 . . . . . 61 TRP H . 27698 1 217 . 1 1 60 60 TRP C C 13 176.081 0.05 . 1 . . . . . 61 TRP C . 27698 1 218 . 1 1 60 60 TRP CA C 13 57.181 0.1 . 1 . . . . . 61 TRP CA . 27698 1 219 . 1 1 60 60 TRP N N 15 120.411 0.05 . 1 . . . . . 61 TRP N . 27698 1 220 . 1 1 61 61 GLN H H 1 7.927 0.01 . 1 . . . . . 62 GLN H . 27698 1 221 . 1 1 61 61 GLN C C 13 175.251 0.05 . 1 . . . . . 62 GLN C . 27698 1 222 . 1 1 61 61 GLN CA C 13 55.694 0.1 . 1 . . . . . 62 GLN CA . 27698 1 223 . 1 1 61 61 GLN N N 15 122.305 0.05 . 1 . . . . . 62 GLN N . 27698 1 224 . 1 1 62 62 LYS H H 1 8.090 0.01 . 1 . . . . . 63 LYS H . 27698 1 225 . 1 1 62 62 LYS C C 13 176.969 0.05 . 1 . . . . . 63 LYS C . 27698 1 226 . 1 1 62 62 LYS CA C 13 56.797 0.1 . 1 . . . . . 63 LYS CA . 27698 1 227 . 1 1 62 62 LYS N N 15 122.360 0.05 . 1 . . . . . 63 LYS N . 27698 1 228 . 1 1 63 63 GLY H H 1 8.369 0.01 . 1 . . . . . 64 GLY H . 27698 1 229 . 1 1 63 63 GLY C C 13 174.108 0.05 . 1 . . . . . 64 GLY C . 27698 1 230 . 1 1 63 63 GLY CA C 13 45.324 0.1 . 1 . . . . . 64 GLY CA . 27698 1 231 . 1 1 63 63 GLY N N 15 110.388 0.05 . 1 . . . . . 64 GLY N . 27698 1 232 . 1 1 64 64 ILE H H 1 7.967 0.01 . 1 . . . . . 65 ILE H . 27698 1 233 . 1 1 64 64 ILE C C 13 176.769 0.05 . 1 . . . . . 65 ILE C . 27698 1 234 . 1 1 64 64 ILE CA C 13 61.368 0.1 . 1 . . . . . 65 ILE CA . 27698 1 235 . 1 1 64 64 ILE N N 15 119.714 0.05 . 1 . . . . . 65 ILE N . 27698 1 236 . 1 1 65 65 GLY H H 1 8.416 0.01 . 1 . . . . . 66 GLY H . 27698 1 237 . 1 1 65 65 GLY C C 13 174.168 0.05 . 1 . . . . . 66 GLY C . 27698 1 238 . 1 1 65 65 GLY CA C 13 45.366 0.1 . 1 . . . . . 66 GLY CA . 27698 1 239 . 1 1 65 65 GLY N N 15 112.312 0.05 . 1 . . . . . 66 GLY N . 27698 1 240 . 1 1 66 66 GLU H H 1 8.145 0.01 . 1 . . . . . 67 GLU H . 27698 1 241 . 1 1 66 66 GLU C C 13 176.272 0.05 . 1 . . . . . 67 GLU C . 27698 1 242 . 1 1 66 66 GLU CA C 13 56.738 0.1 . 1 . . . . . 67 GLU CA . 27698 1 243 . 1 1 66 66 GLU N N 15 120.573 0.05 . 1 . . . . . 67 GLU N . 27698 1 244 . 1 1 67 67 PHE H H 1 8.149 0.01 . 1 . . . . . 68 PHE H . 27698 1 245 . 1 1 67 67 PHE C C 13 175.400 0.05 . 1 . . . . . 68 PHE C . 27698 1 246 . 1 1 67 67 PHE CA C 13 57.933 0.1 . 1 . . . . . 68 PHE CA . 27698 1 247 . 1 1 67 67 PHE N N 15 120.254 0.05 . 1 . . . . . 68 PHE N . 27698 1 248 . 1 1 68 68 PHE H H 1 7.993 0.01 . 1 . . . . . 69 PHE H . 27698 1 249 . 1 1 68 68 PHE C C 13 175.087 0.05 . 1 . . . . . 69 PHE C . 27698 1 250 . 1 1 68 68 PHE CA C 13 57.829 0.1 . 1 . . . . . 69 PHE CA . 27698 1 251 . 1 1 68 68 PHE N N 15 121.059 0.05 . 1 . . . . . 69 PHE N . 27698 1 252 . 1 1 69 69 ARG H H 1 8.016 0.01 . 1 . . . . . 70 ARG H . 27698 1 253 . 1 1 69 69 ARG C C 13 175.630 0.05 . 1 . . . . . 70 ARG C . 27698 1 254 . 1 1 69 69 ARG CA C 13 55.939 0.1 . 1 . . . . . 70 ARG CA . 27698 1 255 . 1 1 69 69 ARG N N 15 122.629 0.05 . 1 . . . . . 70 ARG N . 27698 1 256 . 1 1 70 70 LEU H H 1 8.188 0.01 . 1 . . . . . 71 LEU H . 27698 1 257 . 1 1 70 70 LEU C C 13 177.068 0.05 . 1 . . . . . 71 LEU C . 27698 1 258 . 1 1 70 70 LEU CA C 13 54.994 0.1 . 1 . . . . . 71 LEU CA . 27698 1 259 . 1 1 70 70 LEU N N 15 123.449 0.05 . 1 . . . . . 71 LEU N . 27698 1 260 . 1 1 71 71 SER H H 1 8.369 0.01 . 1 . . . . . 72 SER H . 27698 1 261 . 1 1 71 71 SER CA C 13 56.290 0.1 . 1 . . . . . 72 SER CA . 27698 1 262 . 1 1 71 71 SER N N 15 118.257 0.05 . 1 . . . . . 72 SER N . 27698 1 263 . 1 1 72 72 PRO C C 13 177.281 0.05 . 1 . . . . . 73 PRO C . 27698 1 264 . 1 1 72 72 PRO CA C 13 63.596 0.1 . 1 . . . . . 73 PRO CA . 27698 1 265 . 1 1 73 73 LYS H H 1 8.339 0.01 . 1 . . . . . 74 LYS H . 27698 1 266 . 1 1 73 73 LYS C C 13 176.852 0.05 . 1 . . . . . 74 LYS C . 27698 1 267 . 1 1 73 73 LYS CA C 13 56.729 0.1 . 1 . . . . . 74 LYS CA . 27698 1 268 . 1 1 73 73 LYS N N 15 120.740 0.05 . 1 . . . . . 74 LYS N . 27698 1 269 . 1 1 74 74 ASP H H 1 8.299 0.01 . 1 . . . . . 75 ASP H . 27698 1 270 . 1 1 74 74 ASP C C 13 176.632 0.05 . 1 . . . . . 75 ASP C . 27698 1 271 . 1 1 74 74 ASP CA C 13 54.999 0.1 . 1 . . . . . 75 ASP CA . 27698 1 272 . 1 1 74 74 ASP N N 15 121.241 0.05 . 1 . . . . . 75 ASP N . 27698 1 273 . 1 1 75 75 SER H H 1 8.185 0.01 . 1 . . . . . 76 SER H . 27698 1 274 . 1 1 75 75 SER C C 13 174.913 0.05 . 1 . . . . . 76 SER C . 27698 1 275 . 1 1 75 75 SER CA C 13 59.043 0.1 . 1 . . . . . 76 SER CA . 27698 1 276 . 1 1 75 75 SER N N 15 115.563 0.05 . 1 . . . . . 76 SER N . 27698 1 277 . 1 1 76 76 GLU H H 1 8.345 0.01 . 1 . . . . . 77 GLU H . 27698 1 278 . 1 1 76 76 GLU C C 13 176.857 0.05 . 1 . . . . . 77 GLU C . 27698 1 279 . 1 1 76 76 GLU CA C 13 57.014 0.1 . 1 . . . . . 77 GLU CA . 27698 1 280 . 1 1 76 76 GLU N N 15 122.318 0.05 . 1 . . . . . 77 GLU N . 27698 1 281 . 1 1 77 77 LYS H H 1 8.113 0.01 . 1 . . . . . 78 LYS H . 27698 1 282 . 1 1 77 77 LYS C C 13 176.869 0.05 . 1 . . . . . 78 LYS C . 27698 1 283 . 1 1 77 77 LYS CA C 13 56.634 0.1 . 1 . . . . . 78 LYS CA . 27698 1 284 . 1 1 77 77 LYS N N 15 121.091 0.05 . 1 . . . . . 78 LYS N . 27698 1 285 . 1 1 78 78 GLU H H 1 8.329 0.01 . 1 . . . . . 79 GLU H . 27698 1 286 . 1 1 78 78 GLU C C 13 176.344 0.05 . 1 . . . . . 79 GLU C . 27698 1 287 . 1 1 78 78 GLU CA C 13 56.811 0.1 . 1 . . . . . 79 GLU CA . 27698 1 288 . 1 1 78 78 GLU N N 15 120.987 0.05 . 1 . . . . . 79 GLU N . 27698 1 289 . 1 1 79 79 ASN H H 1 8.386 0.01 . 1 . . . . . 80 ASN H . 27698 1 290 . 1 1 79 79 ASN C C 13 174.947 0.05 . 1 . . . . . 80 ASN C . 27698 1 291 . 1 1 79 79 ASN CA C 13 53.359 0.1 . 1 . . . . . 80 ASN CA . 27698 1 292 . 1 1 79 79 ASN N N 15 119.187 0.05 . 1 . . . . . 80 ASN N . 27698 1 293 . 1 1 80 80 GLN H H 1 8.254 0.01 . 1 . . . . . 81 GLN H . 27698 1 294 . 1 1 80 80 GLN C C 13 175.684 0.05 . 1 . . . . . 81 GLN C . 27698 1 295 . 1 1 80 80 GLN CA C 13 55.708 0.1 . 1 . . . . . 81 GLN CA . 27698 1 296 . 1 1 80 80 GLN N N 15 120.583 0.05 . 1 . . . . . 81 GLN N . 27698 1 297 . 1 1 81 81 ILE H H 1 8.275 0.01 . 1 . . . . . 82 ILE H . 27698 1 298 . 1 1 81 81 ILE CA C 13 58.826 0.1 . 1 . . . . . 82 ILE CA . 27698 1 299 . 1 1 81 81 ILE N N 15 124.113 0.05 . 1 . . . . . 82 ILE N . 27698 1 300 . 1 1 82 82 PRO C C 13 177.049 0.05 . 1 . . . . . 83 PRO C . 27698 1 301 . 1 1 82 82 PRO CA C 13 63.401 0.1 . 1 . . . . . 83 PRO CA . 27698 1 302 . 1 1 83 83 GLU H H 1 8.549 0.01 . 1 . . . . . 84 GLU H . 27698 1 303 . 1 1 83 83 GLU C C 13 176.797 0.05 . 1 . . . . . 84 GLU C . 27698 1 304 . 1 1 83 83 GLU CA C 13 56.970 0.1 . 1 . . . . . 84 GLU CA . 27698 1 305 . 1 1 83 83 GLU N N 15 121.392 0.05 . 1 . . . . . 84 GLU N . 27698 1 306 . 1 1 84 84 GLU H H 1 8.463 0.01 . 1 . . . . . 85 GLU H . 27698 1 307 . 1 1 84 84 GLU C C 13 176.436 0.05 . 1 . . . . . 85 GLU C . 27698 1 308 . 1 1 84 84 GLU CA C 13 56.514 0.1 . 1 . . . . . 85 GLU CA . 27698 1 309 . 1 1 84 84 GLU N N 15 121.969 0.05 . 1 . . . . . 85 GLU N . 27698 1 310 . 1 1 85 85 ALA H H 1 8.383 0.01 . 1 . . . . . 86 ALA H . 27698 1 311 . 1 1 85 85 ALA C C 13 178.543 0.05 . 1 . . . . . 86 ALA C . 27698 1 312 . 1 1 85 85 ALA CA C 13 53.012 0.1 . 1 . . . . . 86 ALA CA . 27698 1 313 . 1 1 85 85 ALA N N 15 125.529 0.05 . 1 . . . . . 86 ALA N . 27698 1 314 . 1 1 86 86 GLY H H 1 8.419 0.01 . 1 . . . . . 87 GLY H . 27698 1 315 . 1 1 86 86 GLY C C 13 174.674 0.05 . 1 . . . . . 87 GLY C . 27698 1 316 . 1 1 86 86 GLY CA C 13 45.519 0.1 . 1 . . . . . 87 GLY CA . 27698 1 317 . 1 1 86 86 GLY N N 15 108.114 0.05 . 1 . . . . . 87 GLY N . 27698 1 318 . 1 1 87 87 SER H H 1 8.220 0.01 . 1 . . . . . 88 SER H . 27698 1 319 . 1 1 87 87 SER C C 13 175.101 0.05 . 1 . . . . . 88 SER C . 27698 1 320 . 1 1 87 87 SER CA C 13 58.593 0.1 . 1 . . . . . 88 SER CA . 27698 1 321 . 1 1 87 87 SER N N 15 115.553 0.05 . 1 . . . . . 88 SER N . 27698 1 322 . 1 1 88 88 SER H H 1 8.424 0.01 . 1 . . . . . 89 SER H . 27698 1 323 . 1 1 88 88 SER C C 13 175.219 0.05 . 1 . . . . . 89 SER C . 27698 1 324 . 1 1 88 88 SER CA C 13 58.854 0.1 . 1 . . . . . 89 SER CA . 27698 1 325 . 1 1 88 88 SER N N 15 117.657 0.05 . 1 . . . . . 89 SER N . 27698 1 326 . 1 1 89 89 GLY H H 1 8.407 0.01 . 1 . . . . . 90 GLY H . 27698 1 327 . 1 1 89 89 GLY C C 13 174.439 0.05 . 1 . . . . . 90 GLY C . 27698 1 328 . 1 1 89 89 GLY CA C 13 45.558 0.1 . 1 . . . . . 90 GLY CA . 27698 1 329 . 1 1 89 89 GLY N N 15 110.607 0.05 . 1 . . . . . 90 GLY N . 27698 1 330 . 1 1 90 90 LEU H H 1 8.113 0.01 . 1 . . . . . 91 LEU H . 27698 1 331 . 1 1 90 90 LEU C C 13 178.225 0.05 . 1 . . . . . 91 LEU C . 27698 1 332 . 1 1 90 90 LEU CA C 13 55.522 0.1 . 1 . . . . . 91 LEU CA . 27698 1 333 . 1 1 90 90 LEU N N 15 121.583 0.05 . 1 . . . . . 91 LEU N . 27698 1 334 . 1 1 91 91 GLY H H 1 8.469 0.01 . 1 . . . . . 92 GLY H . 27698 1 335 . 1 1 91 91 GLY C C 13 174.430 0.05 . 1 . . . . . 92 GLY C . 27698 1 336 . 1 1 91 91 GLY CA C 13 45.582 0.1 . 1 . . . . . 92 GLY CA . 27698 1 337 . 1 1 91 91 GLY N N 15 109.549 0.05 . 1 . . . . . 92 GLY N . 27698 1 338 . 1 1 92 92 LYS H H 1 8.091 0.01 . 1 . . . . . 93 LYS H . 27698 1 339 . 1 1 92 92 LYS C C 13 176.594 0.05 . 1 . . . . . 93 LYS C . 27698 1 340 . 1 1 92 92 LYS CA C 13 56.359 0.1 . 1 . . . . . 93 LYS CA . 27698 1 341 . 1 1 92 92 LYS N N 15 120.831 0.05 . 1 . . . . . 93 LYS N . 27698 1 342 . 1 1 93 93 ALA H H 1 8.240 0.01 . 1 . . . . . 94 ALA H . 27698 1 343 . 1 1 93 93 ALA C C 13 177.783 0.05 . 1 . . . . . 94 ALA C . 27698 1 344 . 1 1 93 93 ALA CA C 13 52.609 0.1 . 1 . . . . . 94 ALA CA . 27698 1 345 . 1 1 93 93 ALA N N 15 124.584 0.05 . 1 . . . . . 94 ALA N . 27698 1 346 . 1 1 94 94 LYS H H 1 8.242 0.01 . 1 . . . . . 95 LYS H . 27698 1 347 . 1 1 94 94 LYS C C 13 176.624 0.05 . 1 . . . . . 95 LYS C . 27698 1 348 . 1 1 94 94 LYS CA C 13 56.278 0.1 . 1 . . . . . 95 LYS CA . 27698 1 349 . 1 1 94 94 LYS N N 15 120.866 0.05 . 1 . . . . . 95 LYS N . 27698 1 350 . 1 1 95 95 ARG H H 1 8.295 0.01 . 1 . . . . . 96 ARG H . 27698 1 351 . 1 1 95 95 ARG C C 13 176.198 0.05 . 1 . . . . . 96 ARG C . 27698 1 352 . 1 1 95 95 ARG CA C 13 56.039 0.1 . 1 . . . . . 96 ARG CA . 27698 1 353 . 1 1 95 95 ARG N N 15 122.670 0.05 . 1 . . . . . 96 ARG N . 27698 1 354 . 1 1 96 96 LYS H H 1 8.403 0.01 . 1 . . . . . 97 LYS H . 27698 1 355 . 1 1 96 96 LYS C C 13 176.121 0.05 . 1 . . . . . 97 LYS C . 27698 1 356 . 1 1 96 96 LYS CA C 13 56.287 0.1 . 1 . . . . . 97 LYS CA . 27698 1 357 . 1 1 96 96 LYS N N 15 123.657 0.05 . 1 . . . . . 97 LYS N . 27698 1 358 . 1 1 97 97 ALA H H 1 8.373 0.01 . 1 . . . . . 98 ALA H . 27698 1 359 . 1 1 97 97 ALA C C 13 177.425 0.05 . 1 . . . . . 98 ALA C . 27698 1 360 . 1 1 97 97 ALA CA C 13 52.311 0.1 . 1 . . . . . 98 ALA CA . 27698 1 361 . 1 1 97 97 ALA N N 15 126.030 0.05 . 1 . . . . . 98 ALA N . 27698 1 362 . 1 1 98 98 SER H H 1 8.337 0.01 . 1 . . . . . 99 SER H . 27698 1 363 . 1 1 98 98 SER CA C 13 56.301 0.1 . 1 . . . . . 99 SER CA . 27698 1 364 . 1 1 98 98 SER N N 15 116.976 0.05 . 1 . . . . . 99 SER N . 27698 1 365 . 1 1 99 99 PRO C C 13 176.810 0.05 . 1 . . . . . 100 PRO C . 27698 1 366 . 1 1 99 99 PRO CA C 13 63.341 0.1 . 1 . . . . . 100 PRO CA . 27698 1 367 . 1 1 100 100 LEU H H 1 8.225 0.01 . 1 . . . . . 101 LEU H . 27698 1 368 . 1 1 100 100 LEU C C 13 177.178 0.05 . 1 . . . . . 101 LEU C . 27698 1 369 . 1 1 100 100 LEU CA C 13 55.227 0.1 . 1 . . . . . 101 LEU CA . 27698 1 370 . 1 1 100 100 LEU N N 15 121.497 0.05 . 1 . . . . . 101 LEU N . 27698 1 371 . 1 1 101 101 GLN H H 1 8.229 0.01 . 1 . . . . . 102 GLN H . 27698 1 372 . 1 1 101 101 GLN CA C 13 53.429 0.1 . 1 . . . . . 102 GLN CA . 27698 1 373 . 1 1 101 101 GLN N N 15 121.720 0.05 . 1 . . . . . 102 GLN N . 27698 1 374 . 1 1 102 102 PRO C C 13 176.474 0.05 . 1 . . . . . 103 PRO C . 27698 1 375 . 1 1 102 102 PRO CA C 13 63.290 0.1 . 1 . . . . . 103 PRO CA . 27698 1 376 . 1 1 103 103 ASP H H 1 8.415 0.01 . 1 . . . . . 104 ASP H . 27698 1 377 . 1 1 103 103 ASP C C 13 176.192 0.05 . 1 . . . . . 104 ASP C . 27698 1 378 . 1 1 103 103 ASP CA C 13 54.230 0.1 . 1 . . . . . 104 ASP CA . 27698 1 379 . 1 1 103 103 ASP N N 15 119.967 0.05 . 1 . . . . . 104 ASP N . 27698 1 380 . 1 1 104 104 HIS H H 1 8.397 0.01 . 1 . . . . . 105 HIS H . 27698 1 381 . 1 1 104 104 HIS C C 13 175.014 0.05 . 1 . . . . . 105 HIS C . 27698 1 382 . 1 1 104 104 HIS CA C 13 55.658 0.1 . 1 . . . . . 105 HIS CA . 27698 1 383 . 1 1 104 104 HIS N N 15 119.124 0.05 . 1 . . . . . 105 HIS N . 27698 1 384 . 1 1 105 105 THR H H 1 8.312 0.01 . 1 . . . . . 106 THR H . 27698 1 385 . 1 1 105 105 THR C C 13 174.581 0.05 . 1 . . . . . 106 THR C . 27698 1 386 . 1 1 105 105 THR CA C 13 62.666 0.1 . 1 . . . . . 106 THR CA . 27698 1 387 . 1 1 105 105 THR N N 15 115.443 0.05 . 1 . . . . . 106 THR N . 27698 1 388 . 1 1 106 106 ASN H H 1 8.533 0.01 . 1 . . . . . 107 ASN H . 27698 1 389 . 1 1 106 106 ASN C C 13 174.933 0.05 . 1 . . . . . 107 ASN C . 27698 1 390 . 1 1 106 106 ASN CA C 13 53.416 0.1 . 1 . . . . . 107 ASN CA . 27698 1 391 . 1 1 106 106 ASN N N 15 120.387 0.05 . 1 . . . . . 107 ASN N . 27698 1 392 . 1 1 107 107 ASP H H 1 8.234 0.01 . 1 . . . . . 108 ASP H . 27698 1 393 . 1 1 107 107 ASP C C 13 176.214 0.05 . 1 . . . . . 108 ASP C . 27698 1 394 . 1 1 107 107 ASP CA C 13 54.651 0.1 . 1 . . . . . 108 ASP CA . 27698 1 395 . 1 1 107 107 ASP N N 15 120.916 0.05 . 1 . . . . . 108 ASP N . 27698 1 396 . 1 1 108 108 GLU H H 1 8.315 0.01 . 1 . . . . . 109 GLU H . 27698 1 397 . 1 1 108 108 GLU C C 13 176.349 0.05 . 1 . . . . . 109 GLU C . 27698 1 398 . 1 1 108 108 GLU CA C 13 56.625 0.1 . 1 . . . . . 109 GLU CA . 27698 1 399 . 1 1 108 108 GLU N N 15 120.859 0.05 . 1 . . . . . 109 GLU N . 27698 1 400 . 1 1 109 109 LYS H H 1 8.290 0.01 . 1 . . . . . 110 LYS H . 27698 1 401 . 1 1 109 109 LYS C C 13 175.706 0.05 . 1 . . . . . 110 LYS C . 27698 1 402 . 1 1 109 109 LYS CA C 13 56.202 0.1 . 1 . . . . . 110 LYS CA . 27698 1 403 . 1 1 109 109 LYS N N 15 122.566 0.05 . 1 . . . . . 110 LYS N . 27698 1 404 . 1 1 110 110 GLU H H 1 8.028 0.01 . 1 . . . . . 111 GLU H . 27698 1 405 . 1 1 110 110 GLU CA C 13 58.101 0.1 . 1 . . . . . 111 GLU CA . 27698 1 406 . 1 1 110 110 GLU N N 15 127.239 0.05 . 1 . . . . . 111 GLU N . 27698 1 stop_ save_