################################### # 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 27089 _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' . . . 27089 1 2 '3D CBCA(CO)NH' . . . 27089 1 3 '3D HNCACB' . . . 27089 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 16 16 ASN CA C 13 51.212 0.12 . 1 . . . . . 16 ASN CA . 27089 1 2 . 1 . 1 16 16 ASN CB C 13 34.230 0.03 . 1 . . . . . 16 ASN CB . 27089 1 3 . 1 . 1 17 17 VAL H H 1 7.632 0.01 . 1 . . . . . 17 VAL H . 27089 1 4 . 1 . 1 17 17 VAL CA C 13 59.282 0.05 . 1 . . . . . 17 VAL CA . 27089 1 5 . 1 . 1 17 17 VAL CB C 13 28.736 0.02 . 1 . . . . . 17 VAL CB . 27089 1 6 . 1 . 1 17 17 VAL N N 15 119.112 0.05 . 1 . . . . . 17 VAL N . 27089 1 7 . 1 . 1 18 18 GLY H H 1 8.680 0.01 . 1 . . . . . 18 GLY H . 27089 1 8 . 1 . 1 18 18 GLY CA C 13 42.012 0.00 . 1 . . . . . 18 GLY CA . 27089 1 9 . 1 . 1 18 18 GLY N N 15 115.096 0.05 . 1 . . . . . 18 GLY N . 27089 1 10 . 1 . 1 19 19 SER H H 1 10.439 0.00 . 1 . . . . . 19 SER H . 27089 1 11 . 1 . 1 19 19 SER CA C 13 54.194 0.10 . 1 . . . . . 19 SER CA . 27089 1 12 . 1 . 1 19 19 SER CB C 13 64.398 1.82 . 1 . . . . . 19 SER CB . 27089 1 13 . 1 . 1 19 19 SER N N 15 122.517 0.00 . 1 . . . . . 19 SER N . 27089 1 14 . 1 . 1 20 20 LEU H H 1 8.428 0.01 . 1 . . . . . 20 LEU H . 27089 1 15 . 1 . 1 20 20 LEU CA C 13 49.904 0.00 . 1 . . . . . 20 LEU CA . 27089 1 16 . 1 . 1 20 20 LEU CB C 13 41.740 0.00 . 1 . . . . . 20 LEU CB . 27089 1 17 . 1 . 1 20 20 LEU N N 15 122.287 0.03 . 1 . . . . . 20 LEU N . 27089 1 18 . 1 . 1 21 21 ASP CA C 13 50.882 0.11 . 1 . . . . . 21 ASP CA . 27089 1 19 . 1 . 1 21 21 ASP CB C 13 37.496 0.00 . 1 . . . . . 21 ASP CB . 27089 1 20 . 1 . 1 22 22 LYS H H 1 8.248 0.01 . 1 . . . . . 22 LYS H . 27089 1 21 . 1 . 1 22 22 LYS CA C 13 55.177 0.04 . 1 . . . . . 22 LYS CA . 27089 1 22 . 1 . 1 22 22 LYS CB C 13 29.313 0.18 . 1 . . . . . 22 LYS CB . 27089 1 23 . 1 . 1 22 22 LYS N N 15 125.063 0.14 . 1 . . . . . 22 LYS N . 27089 1 24 . 1 . 1 23 23 THR H H 1 8.449 0.01 . 1 . . . . . 23 THR H . 27089 1 25 . 1 . 1 23 23 THR CA C 13 59.642 0.03 . 1 . . . . . 23 THR CA . 27089 1 26 . 1 . 1 23 23 THR CB C 13 66.219 0.11 . 1 . . . . . 23 THR CB . 27089 1 27 . 1 . 1 23 23 THR N N 15 110.656 0.11 . 1 . . . . . 23 THR N . 27089 1 28 . 1 . 1 24 24 SER H H 1 7.482 0.01 . 1 . . . . . 24 SER H . 27089 1 29 . 1 . 1 24 24 SER CA C 13 54.629 0.00 . 1 . . . . . 24 SER CA . 27089 1 30 . 1 . 1 24 24 SER CB C 13 60.460 0.00 . 1 . . . . . 24 SER CB . 27089 1 31 . 1 . 1 24 24 SER N N 15 117.345 0.02 . 1 . . . . . 24 SER N . 27089 1 32 . 1 . 1 25 25 LYS CA C 13 55.602 0.09 . 1 . . . . . 25 LYS CA . 27089 1 33 . 1 . 1 25 25 LYS CB C 13 29.642 0.04 . 1 . . . . . 25 LYS CB . 27089 1 34 . 1 . 1 26 26 ASN H H 1 8.099 0.01 . 1 . . . . . 26 ASN H . 27089 1 35 . 1 . 1 26 26 ASN CA C 13 49.866 0.02 . 1 . . . . . 26 ASN CA . 27089 1 36 . 1 . 1 26 26 ASN CB C 13 35.841 0.05 . 1 . . . . . 26 ASN CB . 27089 1 37 . 1 . 1 26 26 ASN N N 15 112.436 0.03 . 1 . . . . . 26 ASN N . 27089 1 38 . 1 . 1 27 27 VAL H H 1 7.297 0.01 . 1 . . . . . 27 VAL H . 27089 1 39 . 1 . 1 27 27 VAL CA C 13 57.042 0.19 . 1 . . . . . 27 VAL CA . 27089 1 40 . 1 . 1 27 27 VAL CB C 13 32.384 0.05 . 1 . . . . . 27 VAL CB . 27089 1 41 . 1 . 1 27 27 VAL N N 15 119.285 0.03 . 1 . . . . . 27 VAL N . 27089 1 42 . 1 . 1 28 28 GLY H H 1 8.829 0.01 . 1 . . . . . 28 GLY H . 27089 1 43 . 1 . 1 28 28 GLY CA C 13 40.947 0.01 . 1 . . . . . 28 GLY CA . 27089 1 44 . 1 . 1 28 28 GLY N N 15 112.516 0.06 . 1 . . . . . 28 GLY N . 27089 1 45 . 1 . 1 29 29 THR H H 1 10.418 0.01 . 1 . . . . . 29 THR H . 27089 1 46 . 1 . 1 29 29 THR CA C 13 59.670 0.06 . 1 . . . . . 29 THR CA . 27089 1 47 . 1 . 1 29 29 THR CB C 13 67.262 0.09 . 1 . . . . . 29 THR CB . 27089 1 48 . 1 . 1 29 29 THR N N 15 122.662 0.09 . 1 . . . . . 29 THR N . 27089 1 49 . 1 . 1 30 30 GLY H H 1 9.789 0.01 . 1 . . . . . 30 GLY H . 27089 1 50 . 1 . 1 30 30 GLY CA C 13 41.936 0.12 . 1 . . . . . 30 GLY CA . 27089 1 51 . 1 . 1 30 30 GLY N N 15 116.270 0.03 . 1 . . . . . 30 GLY N . 27089 1 52 . 1 . 1 31 31 LEU H H 1 8.473 0.01 . 1 . . . . . 31 LEU H . 27089 1 53 . 1 . 1 31 31 LEU CA C 13 51.270 0.01 . 1 . . . . . 31 LEU CA . 27089 1 54 . 1 . 1 31 31 LEU CB C 13 41.253 0.13 . 1 . . . . . 31 LEU CB . 27089 1 55 . 1 . 1 31 31 LEU N N 15 127.708 0.06 . 1 . . . . . 31 LEU N . 27089 1 56 . 1 . 1 32 32 VAL H H 1 9.068 0.01 . 1 . . . . . 32 VAL H . 27089 1 57 . 1 . 1 32 32 VAL CA C 13 56.138 0.03 . 1 . . . . . 32 VAL CA . 27089 1 58 . 1 . 1 32 32 VAL CB C 13 32.682 0.06 . 1 . . . . . 32 VAL CB . 27089 1 59 . 1 . 1 32 32 VAL N N 15 120.039 0.06 . 1 . . . . . 32 VAL N . 27089 1 60 . 1 . 1 33 33 GLY H H 1 8.540 0.01 . 1 . . . . . 33 GLY H . 27089 1 61 . 1 . 1 33 33 GLY CA C 13 42.190 0.03 . 1 . . . . . 33 GLY CA . 27089 1 62 . 1 . 1 33 33 GLY N N 15 107.931 0.06 . 1 . . . . . 33 GLY N . 27089 1 63 . 1 . 1 34 34 ALA H H 1 8.327 0.01 . 1 . . . . . 34 ALA H . 27089 1 64 . 1 . 1 34 34 ALA CA C 13 46.665 0.00 . 1 . . . . . 34 ALA CA . 27089 1 65 . 1 . 1 34 34 ALA CB C 13 17.198 0.00 . 1 . . . . . 34 ALA CB . 27089 1 66 . 1 . 1 34 34 ALA N N 15 121.520 0.03 . 1 . . . . . 34 ALA N . 27089 1 67 . 1 . 1 36 36 ALA CA C 13 51.642 0.01 . 1 . . . . . 36 ALA CA . 27089 1 68 . 1 . 1 36 36 ALA CB C 13 15.538 0.03 . 1 . . . . . 36 ALA CB . 27089 1 69 . 1 . 1 37 37 CYS H H 1 7.606 0.01 . 1 . . . . . 37 CYS H . 27089 1 70 . 1 . 1 37 37 CYS CA C 13 54.430 0.02 . 1 . . . . . 37 CYS CA . 27089 1 71 . 1 . 1 37 37 CYS CB C 13 25.790 0.10 . 1 . . . . . 37 CYS CB . 27089 1 72 . 1 . 1 37 37 CYS N N 15 111.419 0.04 . 1 . . . . . 37 CYS N . 27089 1 73 . 1 . 1 38 38 GLY H H 1 7.851 0.01 . 1 . . . . . 38 GLY H . 27089 1 74 . 1 . 1 38 38 GLY CA C 13 43.391 0.02 . 1 . . . . . 38 GLY CA . 27089 1 75 . 1 . 1 38 38 GLY N N 15 109.149 0.02 . 1 . . . . . 38 GLY N . 27089 1 76 . 1 . 1 39 39 VAL H H 1 7.169 0.01 . 1 . . . . . 39 VAL H . 27089 1 77 . 1 . 1 39 39 VAL CA C 13 57.951 0.07 . 1 . . . . . 39 VAL CA . 27089 1 78 . 1 . 1 39 39 VAL CB C 13 32.145 0.07 . 1 . . . . . 39 VAL CB . 27089 1 79 . 1 . 1 39 39 VAL N N 15 117.655 0.05 . 1 . . . . . 39 VAL N . 27089 1 80 . 1 . 1 40 40 VAL H H 1 8.878 0.01 . 1 . . . . . 40 VAL H . 27089 1 81 . 1 . 1 40 40 VAL CA C 13 52.648 11.87 . 1 . . . . . 40 VAL CA . 27089 1 82 . 1 . 1 40 40 VAL CB C 13 32.515 0.17 . 1 . . . . . 40 VAL CB . 27089 1 83 . 1 . 1 40 40 VAL N N 15 127.496 0.09 . 1 . . . . . 40 VAL N . 27089 1 84 . 1 . 1 41 41 MET H H 1 9.140 0.01 . 1 . . . . . 41 MET H . 27089 1 85 . 1 . 1 41 41 MET CA C 13 52.499 0.09 . 1 . . . . . 41 MET CA . 27089 1 86 . 1 . 1 41 41 MET CB C 13 33.401 0.10 . 1 . . . . . 41 MET CB . 27089 1 87 . 1 . 1 41 41 MET N N 15 127.767 0.05 . 1 . . . . . 41 MET N . 27089 1 88 . 1 . 1 42 42 LYS H H 1 8.293 0.01 . 1 . . . . . 42 LYS H . 27089 1 89 . 1 . 1 42 42 LYS CA C 13 51.541 0.17 . 1 . . . . . 42 LYS CA . 27089 1 90 . 1 . 1 42 42 LYS CB C 13 31.682 0.03 . 1 . . . . . 42 LYS CB . 27089 1 91 . 1 . 1 42 42 LYS N N 15 126.742 0.08 . 1 . . . . . 42 LYS N . 27089 1 92 . 1 . 1 43 43 LEU H H 1 9.217 0.01 . 1 . . . . . 43 LEU H . 27089 1 93 . 1 . 1 43 43 LEU CA C 13 51.354 0.00 . 1 . . . . . 43 LEU CA . 27089 1 94 . 1 . 1 43 43 LEU CB C 13 43.174 0.05 . 1 . . . . . 43 LEU CB . 27089 1 95 . 1 . 1 43 43 LEU N N 15 128.356 0.03 . 1 . . . . . 43 LEU N . 27089 1 96 . 1 . 1 44 44 GLN H H 1 9.447 0.01 . 1 . . . . . 44 GLN H . 27089 1 97 . 1 . 1 44 44 GLN CA C 13 50.469 0.04 . 1 . . . . . 44 GLN CA . 27089 1 98 . 1 . 1 44 44 GLN CB C 13 32.779 0.05 . 1 . . . . . 44 GLN CB . 27089 1 99 . 1 . 1 44 44 GLN N N 15 121.524 0.08 . 1 . . . . . 44 GLN N . 27089 1 100 . 1 . 1 45 45 ILE H H 1 9.014 0.01 . 1 . . . . . 45 ILE H . 27089 1 101 . 1 . 1 45 45 ILE CA C 13 55.825 0.03 . 1 . . . . . 45 ILE CA . 27089 1 102 . 1 . 1 45 45 ILE CB C 13 38.968 0.06 . 1 . . . . . 45 ILE CB . 27089 1 103 . 1 . 1 45 45 ILE N N 15 114.333 0.07 . 1 . . . . . 45 ILE N . 27089 1 104 . 1 . 1 46 46 GLN H H 1 8.407 0.01 . 1 . . . . . 46 GLN H . 27089 1 105 . 1 . 1 46 46 GLN CA C 13 51.176 0.01 . 1 . . . . . 46 GLN CA . 27089 1 106 . 1 . 1 46 46 GLN CB C 13 29.080 0.22 . 1 . . . . . 46 GLN CB . 27089 1 107 . 1 . 1 46 46 GLN N N 15 123.256 0.04 . 1 . . . . . 46 GLN N . 27089 1 108 . 1 . 1 47 47 VAL H H 1 8.817 0.01 . 1 . . . . . 47 VAL H . 27089 1 109 . 1 . 1 47 47 VAL CA C 13 57.795 0.01 . 1 . . . . . 47 VAL CA . 27089 1 110 . 1 . 1 47 47 VAL CB C 13 31.280 0.09 . 1 . . . . . 47 VAL CB . 27089 1 111 . 1 . 1 47 47 VAL N N 15 128.965 0.03 . 1 . . . . . 47 VAL N . 27089 1 112 . 1 . 1 48 48 ASP H H 1 9.208 0.01 . 1 . . . . . 48 ASP H . 27089 1 113 . 1 . 1 48 48 ASP CA C 13 49.804 0.05 . 1 . . . . . 48 ASP CA . 27089 1 114 . 1 . 1 48 48 ASP CB C 13 38.278 0.04 . 1 . . . . . 48 ASP CB . 27089 1 115 . 1 . 1 48 48 ASP N N 15 128.087 0.10 . 1 . . . . . 48 ASP N . 27089 1 116 . 1 . 1 49 49 GLU H H 1 8.962 0.01 . 1 . . . . . 49 GLU H . 27089 1 117 . 1 . 1 49 49 GLU CA C 13 55.397 0.02 . 1 . . . . . 49 GLU CA . 27089 1 118 . 1 . 1 49 49 GLU CB C 13 25.905 0.07 . 1 . . . . . 49 GLU CB . 27089 1 119 . 1 . 1 49 49 GLU N N 15 116.403 0.09 . 1 . . . . . 49 GLU N . 27089 1 120 . 1 . 1 50 50 LYS H H 1 8.308 0.01 . 1 . . . . . 50 LYS H . 27089 1 121 . 1 . 1 50 50 LYS CA C 13 52.152 0.05 . 1 . . . . . 50 LYS CA . 27089 1 122 . 1 . 1 50 50 LYS CB C 13 29.351 0.03 . 1 . . . . . 50 LYS CB . 27089 1 123 . 1 . 1 50 50 LYS N N 15 119.397 0.03 . 1 . . . . . 50 LYS N . 27089 1 124 . 1 . 1 51 51 GLY H H 1 7.876 0.01 . 1 . . . . . 51 GLY H . 27089 1 125 . 1 . 1 51 51 GLY CA C 13 42.824 0.01 . 1 . . . . . 51 GLY CA . 27089 1 126 . 1 . 1 51 51 GLY N N 15 108.226 0.03 . 1 . . . . . 51 GLY N . 27089 1 127 . 1 . 1 52 52 LYS H H 1 8.513 0.01 . 1 . . . . . 52 LYS H . 27089 1 128 . 1 . 1 52 52 LYS CA C 13 51.919 0.03 . 1 . . . . . 52 LYS CA . 27089 1 129 . 1 . 1 52 52 LYS CB C 13 30.514 0.01 . 1 . . . . . 52 LYS CB . 27089 1 130 . 1 . 1 52 52 LYS N N 15 121.251 0.03 . 1 . . . . . 52 LYS N . 27089 1 131 . 1 . 1 53 53 ILE H H 1 8.921 0.01 . 1 . . . . . 53 ILE H . 27089 1 132 . 1 . 1 53 53 ILE CA C 13 59.525 0.02 . 1 . . . . . 53 ILE CA . 27089 1 133 . 1 . 1 53 53 ILE CB C 13 33.315 0.04 . 1 . . . . . 53 ILE CB . 27089 1 134 . 1 . 1 53 53 ILE N N 15 125.110 0.01 . 1 . . . . . 53 ILE N . 27089 1 135 . 1 . 1 54 54 VAL H H 1 8.736 0.01 . 1 . . . . . 54 VAL H . 27089 1 136 . 1 . 1 54 54 VAL CA C 13 58.186 0.00 . 1 . . . . . 54 VAL CA . 27089 1 137 . 1 . 1 54 54 VAL CB C 13 29.912 0.06 . 1 . . . . . 54 VAL CB . 27089 1 138 . 1 . 1 54 54 VAL N N 15 123.811 0.07 . 1 . . . . . 54 VAL N . 27089 1 139 . 1 . 1 55 55 ASP H H 1 7.968 0.01 . 1 . . . . . 55 ASP H . 27089 1 140 . 1 . 1 55 55 ASP CA C 13 50.112 0.02 . 1 . . . . . 55 ASP CA . 27089 1 141 . 1 . 1 55 55 ASP CB C 13 41.014 0.10 . 1 . . . . . 55 ASP CB . 27089 1 142 . 1 . 1 55 55 ASP N N 15 118.737 0.01 . 1 . . . . . 55 ASP N . 27089 1 143 . 1 . 1 56 56 ALA H H 1 8.679 0.01 . 1 . . . . . 56 ALA H . 27089 1 144 . 1 . 1 56 56 ALA CA C 13 49.114 0.01 . 1 . . . . . 56 ALA CA . 27089 1 145 . 1 . 1 56 56 ALA CB C 13 19.502 0.07 . 1 . . . . . 56 ALA CB . 27089 1 146 . 1 . 1 56 56 ALA N N 15 123.629 0.02 . 1 . . . . . 56 ALA N . 27089 1 147 . 1 . 1 57 57 ARG H H 1 8.826 0.01 . 1 . . . . . 57 ARG H . 27089 1 148 . 1 . 1 57 57 ARG CA C 13 50.029 0.01 . 1 . . . . . 57 ARG CA . 27089 1 149 . 1 . 1 57 57 ARG CB C 13 33.729 0.05 . 1 . . . . . 57 ARG CB . 27089 1 150 . 1 . 1 57 57 ARG N N 15 117.667 0.03 . 1 . . . . . 57 ARG N . 27089 1 151 . 1 . 1 58 58 PHE H H 1 8.544 0.01 . 1 . . . . . 58 PHE H . 27089 1 152 . 1 . 1 58 58 PHE CA C 13 53.022 0.07 . 1 . . . . . 58 PHE CA . 27089 1 153 . 1 . 1 58 58 PHE CB C 13 40.423 0.01 . 1 . . . . . 58 PHE CB . 27089 1 154 . 1 . 1 58 58 PHE N N 15 116.964 0.13 . 1 . . . . . 58 PHE N . 27089 1 155 . 1 . 1 59 59 LYS H H 1 8.907 0.01 . 1 . . . . . 59 LYS H . 27089 1 156 . 1 . 1 59 59 LYS CA C 13 53.612 0.06 . 1 . . . . . 59 LYS CA . 27089 1 157 . 1 . 1 59 59 LYS CB C 13 32.349 0.03 . 1 . . . . . 59 LYS CB . 27089 1 158 . 1 . 1 59 59 LYS N N 15 119.836 0.06 . 1 . . . . . 59 LYS N . 27089 1 159 . 1 . 1 60 60 THR H H 1 8.645 0.01 . 1 . . . . . 60 THR H . 27089 1 160 . 1 . 1 60 60 THR CA C 13 57.973 0.00 . 1 . . . . . 60 THR CA . 27089 1 161 . 1 . 1 60 60 THR CB C 13 63.089 0.00 . 1 . . . . . 60 THR CB . 27089 1 162 . 1 . 1 60 60 THR N N 15 124.938 0.08 . 1 . . . . . 60 THR N . 27089 1 163 . 1 . 1 61 61 PHE CA C 13 53.111 0.17 . 1 . . . . . 61 PHE CA . 27089 1 164 . 1 . 1 61 61 PHE CB C 13 37.748 0.10 . 1 . . . . . 61 PHE CB . 27089 1 165 . 1 . 1 62 62 GLY H H 1 8.050 0.01 . 1 . . . . . 62 GLY H . 27089 1 166 . 1 . 1 62 62 GLY CA C 13 42.511 0.07 . 1 . . . . . 62 GLY CA . 27089 1 167 . 1 . 1 62 62 GLY N N 15 109.943 0.10 . 1 . . . . . 62 GLY N . 27089 1 168 . 1 . 1 63 63 CYS H H 1 7.113 0.01 . 1 . . . . . 63 CYS H . 27089 1 169 . 1 . 1 63 63 CYS CA C 13 41.514 13.41 . 1 . . . . . 63 CYS CA . 27089 1 170 . 1 . 1 63 63 CYS CB C 13 27.878 0.00 . 1 . . . . . 63 CYS CB . 27089 1 171 . 1 . 1 63 63 CYS N N 15 118.026 0.07 . 1 . . . . . 63 CYS N . 27089 1 172 . 1 . 1 64 64 GLY H H 1 8.284 0.00 . 1 . . . . . 64 GLY H . 27089 1 173 . 1 . 1 64 64 GLY N N 15 117.201 0.00 . 1 . . . . . 64 GLY N . 27089 1 174 . 1 . 1 65 65 SER CA C 13 60.031 0.00 . 1 . . . . . 65 SER CA . 27089 1 175 . 1 . 1 66 66 ALA H H 1 9.109 0.01 . 1 . . . . . 66 ALA H . 27089 1 176 . 1 . 1 66 66 ALA CA C 13 53.019 0.04 . 1 . . . . . 66 ALA CA . 27089 1 177 . 1 . 1 66 66 ALA CB C 13 15.325 0.01 . 1 . . . . . 66 ALA CB . 27089 1 178 . 1 . 1 66 66 ALA N N 15 112.132 11.14 . 1 . . . . . 66 ALA N . 27089 1 179 . 1 . 1 67 67 ILE H H 1 8.178 0.01 . 1 . . . . . 67 ILE H . 27089 1 180 . 1 . 1 67 67 ILE CA C 13 58.093 4.49 . 1 . . . . . 67 ILE CA . 27089 1 181 . 1 . 1 67 67 ILE CB C 13 34.908 0.14 . 1 . . . . . 67 ILE CB . 27089 1 182 . 1 . 1 67 67 ILE N N 15 121.931 0.09 . 1 . . . . . 67 ILE N . 27089 1 183 . 1 . 1 68 68 ALA H H 1 8.310 0.01 . 1 . . . . . 68 ALA H . 27089 1 184 . 1 . 1 68 68 ALA CA C 13 51.964 0.01 . 1 . . . . . 68 ALA CA . 27089 1 185 . 1 . 1 68 68 ALA CB C 13 15.353 0.05 . 1 . . . . . 68 ALA CB . 27089 1 186 . 1 . 1 68 68 ALA N N 15 121.933 0.14 . 1 . . . . . 68 ALA N . 27089 1 187 . 1 . 1 69 69 SER H H 1 7.642 0.01 . 1 . . . . . 69 SER H . 27089 1 188 . 1 . 1 69 69 SER CA C 13 59.798 0.00 . 1 . . . . . 69 SER CA . 27089 1 189 . 1 . 1 69 69 SER N N 15 112.563 0.02 . 1 . . . . . 69 SER N . 27089 1 190 . 1 . 1 72 72 LEU CA C 13 54.797 0.04 . 1 . . . . . 72 LEU CA . 27089 1 191 . 1 . 1 72 72 LEU CB C 13 38.621 0.04 . 1 . . . . . 72 LEU CB . 27089 1 192 . 1 . 1 73 73 ALA H H 1 7.745 0.01 . 1 . . . . . 73 ALA H . 27089 1 193 . 1 . 1 73 73 ALA CA C 13 53.109 0.02 . 1 . . . . . 73 ALA CA . 27089 1 194 . 1 . 1 73 73 ALA CB C 13 15.201 0.03 . 1 . . . . . 73 ALA CB . 27089 1 195 . 1 . 1 73 73 ALA N N 15 118.794 0.03 . 1 . . . . . 73 ALA N . 27089 1 196 . 1 . 1 74 74 THR H H 1 7.708 0.01 . 1 . . . . . 74 THR H . 27089 1 197 . 1 . 1 74 74 THR CA C 13 63.168 1.30 . 1 . . . . . 74 THR CA . 27089 1 198 . 1 . 1 74 74 THR CB C 13 65.799 0.00 . 1 . . . . . 74 THR CB . 27089 1 199 . 1 . 1 74 74 THR N N 15 104.759 0.07 . 1 . . . . . 74 THR N . 27089 1 200 . 1 . 1 75 75 GLU H H 1 7.683 0.01 . 1 . . . . . 75 GLU H . 27089 1 201 . 1 . 1 75 75 GLU CA C 13 55.562 0.04 . 1 . . . . . 75 GLU CA . 27089 1 202 . 1 . 1 75 75 GLU CB C 13 27.174 0.01 . 1 . . . . . 75 GLU CB . 27089 1 203 . 1 . 1 75 75 GLU N N 15 119.493 0.04 . 1 . . . . . 75 GLU N . 27089 1 204 . 1 . 1 76 76 TRP H H 1 8.885 0.01 . 1 . . . . . 76 TRP H . 27089 1 205 . 1 . 1 76 76 TRP HE1 H 1 10.251 0.00 . 1 . . . . . 76 TRP HE1 . 27089 1 206 . 1 . 1 76 76 TRP CA C 13 56.193 0.05 . 1 . . . . . 76 TRP CA . 27089 1 207 . 1 . 1 76 76 TRP CB C 13 26.424 0.26 . 1 . . . . . 76 TRP CB . 27089 1 208 . 1 . 1 76 76 TRP N N 15 118.945 0.03 . 1 . . . . . 76 TRP N . 27089 1 209 . 1 . 1 76 76 TRP NE1 N 15 129.037 0.00 . 1 . . . . . 76 TRP NE1 . 27089 1 210 . 1 . 1 77 77 VAL H H 1 7.791 0.01 . 1 . . . . . 77 VAL H . 27089 1 211 . 1 . 1 77 77 VAL CA C 13 60.762 0.03 . 1 . . . . . 77 VAL CA . 27089 1 212 . 1 . 1 77 77 VAL CB C 13 28.661 0.01 . 1 . . . . . 77 VAL CB . 27089 1 213 . 1 . 1 77 77 VAL N N 15 108.997 0.11 . 1 . . . . . 77 VAL N . 27089 1 214 . 1 . 1 78 78 LYS H H 1 6.783 0.01 . 1 . . . . . 78 LYS H . 27089 1 215 . 1 . 1 78 78 LYS CA C 13 56.248 0.05 . 1 . . . . . 78 LYS CA . 27089 1 216 . 1 . 1 78 78 LYS CB C 13 29.147 0.10 . 1 . . . . . 78 LYS CB . 27089 1 217 . 1 . 1 78 78 LYS N N 15 118.443 0.02 . 1 . . . . . 78 LYS N . 27089 1 218 . 1 . 1 79 79 GLY H H 1 9.126 0.01 . 1 . . . . . 79 GLY H . 27089 1 219 . 1 . 1 79 79 GLY CA C 13 42.255 0.01 . 1 . . . . . 79 GLY CA . 27089 1 220 . 1 . 1 79 79 GLY N N 15 112.153 0.02 . 1 . . . . . 79 GLY N . 27089 1 221 . 1 . 1 80 80 LYS H H 1 7.767 0.01 . 1 . . . . . 80 LYS H . 27089 1 222 . 1 . 1 80 80 LYS CA C 13 52.035 0.07 . 1 . . . . . 80 LYS CA . 27089 1 223 . 1 . 1 80 80 LYS CB C 13 31.125 0.09 . 1 . . . . . 80 LYS CB . 27089 1 224 . 1 . 1 80 80 LYS N N 15 120.471 0.02 . 1 . . . . . 80 LYS N . 27089 1 225 . 1 . 1 81 81 THR H H 1 8.717 0.01 . 1 . . . . . 81 THR H . 27089 1 226 . 1 . 1 81 81 THR CA C 13 57.922 0.05 . 1 . . . . . 81 THR CA . 27089 1 227 . 1 . 1 81 81 THR CB C 13 68.164 0.09 . 1 . . . . . 81 THR CB . 27089 1 228 . 1 . 1 81 81 THR N N 15 110.057 0.05 . 1 . . . . . 81 THR N . 27089 1 229 . 1 . 1 82 82 VAL H H 1 8.257 0.01 . 1 . . . . . 82 VAL H . 27089 1 230 . 1 . 1 82 82 VAL CA C 13 63.817 0.02 . 1 . . . . . 82 VAL CA . 27089 1 231 . 1 . 1 82 82 VAL CB C 13 28.729 0.11 . 1 . . . . . 82 VAL CB . 27089 1 232 . 1 . 1 82 82 VAL N N 15 117.871 0.04 . 1 . . . . . 82 VAL N . 27089 1 233 . 1 . 1 83 83 GLU H H 1 8.119 0.01 . 1 . . . . . 83 GLU H . 27089 1 234 . 1 . 1 83 83 GLU CA C 13 56.837 0.01 . 1 . . . . . 83 GLU CA . 27089 1 235 . 1 . 1 83 83 GLU CB C 13 26.298 0.02 . 1 . . . . . 83 GLU CB . 27089 1 236 . 1 . 1 83 83 GLU N N 15 115.826 0.03 . 1 . . . . . 83 GLU N . 27089 1 237 . 1 . 1 84 84 GLU H H 1 7.845 0.01 . 1 . . . . . 84 GLU H . 27089 1 238 . 1 . 1 84 84 GLU CA C 13 55.509 0.01 . 1 . . . . . 84 GLU CA . 27089 1 239 . 1 . 1 84 84 GLU CB C 13 27.643 0.00 . 1 . . . . . 84 GLU CB . 27089 1 240 . 1 . 1 84 84 GLU N N 15 119.838 0.08 . 1 . . . . . 84 GLU N . 27089 1 241 . 1 . 1 85 85 ALA H H 1 8.913 0.01 . 1 . . . . . 85 ALA H . 27089 1 242 . 1 . 1 85 85 ALA CA C 13 51.927 0.04 . 1 . . . . . 85 ALA CA . 27089 1 243 . 1 . 1 85 85 ALA CB C 13 15.648 0.06 . 1 . . . . . 85 ALA CB . 27089 1 244 . 1 . 1 85 85 ALA N N 15 124.191 0.04 . 1 . . . . . 85 ALA N . 27089 1 245 . 1 . 1 86 86 LEU H H 1 7.384 0.01 . 1 . . . . . 86 LEU H . 27089 1 246 . 1 . 1 86 86 LEU CA C 13 53.489 0.02 . 1 . . . . . 86 LEU CA . 27089 1 247 . 1 . 1 86 86 LEU CB C 13 39.465 0.09 . 1 . . . . . 86 LEU CB . 27089 1 248 . 1 . 1 86 86 LEU N N 15 115.324 0.01 . 1 . . . . . 86 LEU N . 27089 1 249 . 1 . 1 87 87 THR H H 1 7.747 0.01 . 1 . . . . . 87 THR H . 27089 1 250 . 1 . 1 87 87 THR CA C 13 59.395 0.03 . 1 . . . . . 87 THR CA . 27089 1 251 . 1 . 1 87 87 THR CB C 13 67.041 0.10 . 1 . . . . . 87 THR CB . 27089 1 252 . 1 . 1 87 87 THR N N 15 107.642 0.04 . 1 . . . . . 87 THR N . 27089 1 253 . 1 . 1 88 88 ILE H H 1 7.081 0.01 . 1 . . . . . 88 ILE H . 27089 1 254 . 1 . 1 88 88 ILE CA C 13 59.215 0.01 . 1 . . . . . 88 ILE CA . 27089 1 255 . 1 . 1 88 88 ILE CB C 13 34.641 0.03 . 1 . . . . . 88 ILE CB . 27089 1 256 . 1 . 1 88 88 ILE N N 15 123.202 0.04 . 1 . . . . . 88 ILE N . 27089 1 257 . 1 . 1 89 89 LYS H H 1 8.403 0.01 . 1 . . . . . 89 LYS H . 27089 1 258 . 1 . 1 89 89 LYS CA C 13 50.785 0.07 . 1 . . . . . 89 LYS CA . 27089 1 259 . 1 . 1 89 89 LYS CB C 13 32.836 0.01 . 1 . . . . . 89 LYS CB . 27089 1 260 . 1 . 1 89 89 LYS N N 15 124.827 0.03 . 1 . . . . . 89 LYS N . 27089 1 261 . 1 . 1 90 90 ASN H H 1 9.994 0.01 . 1 . . . . . 90 ASN H . 27089 1 262 . 1 . 1 90 90 ASN CA C 13 54.034 0.05 . 1 . . . . . 90 ASN CA . 27089 1 263 . 1 . 1 90 90 ASN CB C 13 35.682 0.12 . 1 . . . . . 90 ASN CB . 27089 1 264 . 1 . 1 90 90 ASN N N 15 122.366 0.06 . 1 . . . . . 90 ASN N . 27089 1 265 . 1 . 1 91 91 THR H H 1 7.399 0.01 . 1 . . . . . 91 THR H . 27089 1 266 . 1 . 1 91 91 THR CA C 13 61.509 0.21 . 1 . . . . . 91 THR CA . 27089 1 267 . 1 . 1 91 91 THR CB C 13 64.716 0.15 . 1 . . . . . 91 THR CB . 27089 1 268 . 1 . 1 91 91 THR N N 15 109.982 0.11 . 1 . . . . . 91 THR N . 27089 1 269 . 1 . 1 92 92 ASP H H 1 7.201 0.01 . 1 . . . . . 92 ASP H . 27089 1 270 . 1 . 1 92 92 ASP CA C 13 54.484 0.06 . 1 . . . . . 92 ASP CA . 27089 1 271 . 1 . 1 92 92 ASP CB C 13 37.603 0.19 . 1 . . . . . 92 ASP CB . 27089 1 272 . 1 . 1 92 92 ASP N N 15 122.214 0.08 . 1 . . . . . 92 ASP N . 27089 1 273 . 1 . 1 93 93 ILE H H 1 7.289 0.01 . 1 . . . . . 93 ILE H . 27089 1 274 . 1 . 1 93 93 ILE CA C 13 61.389 0.04 . 1 . . . . . 93 ILE CA . 27089 1 275 . 1 . 1 93 93 ILE CB C 13 35.592 0.05 . 1 . . . . . 93 ILE CB . 27089 1 276 . 1 . 1 93 93 ILE N N 15 121.077 0.10 . 1 . . . . . 93 ILE N . 27089 1 277 . 1 . 1 94 94 ALA H H 1 8.248 0.01 . 1 . . . . . 94 ALA H . 27089 1 278 . 1 . 1 94 94 ALA CA C 13 52.397 0.02 . 1 . . . . . 94 ALA CA . 27089 1 279 . 1 . 1 94 94 ALA CB C 13 15.734 0.02 . 1 . . . . . 94 ALA CB . 27089 1 280 . 1 . 1 94 94 ALA N N 15 118.710 0.09 . 1 . . . . . 94 ALA N . 27089 1 281 . 1 . 1 95 95 LYS H H 1 7.820 0.01 . 1 . . . . . 95 LYS H . 27089 1 282 . 1 . 1 95 95 LYS CA C 13 56.146 0.03 . 1 . . . . . 95 LYS CA . 27089 1 283 . 1 . 1 95 95 LYS CB C 13 29.670 0.04 . 1 . . . . . 95 LYS CB . 27089 1 284 . 1 . 1 95 95 LYS N N 15 116.693 0.05 . 1 . . . . . 95 LYS N . 27089 1 285 . 1 . 1 96 96 GLU H H 1 7.762 0.01 . 1 . . . . . 96 GLU H . 27089 1 286 . 1 . 1 96 96 GLU CA C 13 55.759 0.16 . 1 . . . . . 96 GLU CA . 27089 1 287 . 1 . 1 96 96 GLU CB C 13 26.395 0.12 . 1 . . . . . 96 GLU CB . 27089 1 288 . 1 . 1 96 96 GLU N N 15 120.416 0.09 . 1 . . . . . 96 GLU N . 27089 1 289 . 1 . 1 97 97 LEU H H 1 7.336 0.01 . 1 . . . . . 97 LEU H . 27089 1 290 . 1 . 1 97 97 LEU CA C 13 48.089 5.34 . 1 . . . . . 97 LEU CA . 27089 1 291 . 1 . 1 97 97 LEU CB C 13 39.208 0.16 . 1 . . . . . 97 LEU CB . 27089 1 292 . 1 . 1 97 97 LEU N N 15 112.921 0.10 . 1 . . . . . 97 LEU N . 27089 1 293 . 1 . 1 98 98 CYS H H 1 7.948 0.01 . 1 . . . . . 98 CYS H . 27089 1 294 . 1 . 1 98 98 CYS CA C 13 56.443 0.05 . 1 . . . . . 98 CYS CA . 27089 1 295 . 1 . 1 98 98 CYS CB C 13 22.262 0.04 . 1 . . . . . 98 CYS CB . 27089 1 296 . 1 . 1 98 98 CYS N N 15 117.936 0.08 . 1 . . . . . 98 CYS N . 27089 1 297 . 1 . 1 99 99 LEU H H 1 7.826 0.01 . 1 . . . . . 99 LEU H . 27089 1 298 . 1 . 1 99 99 LEU CA C 13 50.341 0.00 . 1 . . . . . 99 LEU CA . 27089 1 299 . 1 . 1 99 99 LEU CB C 13 38.610 0.00 . 1 . . . . . 99 LEU CB . 27089 1 300 . 1 . 1 99 99 LEU N N 15 117.288 0.02 . 1 . . . . . 99 LEU N . 27089 1 301 . 1 . 1 105 105 HIS CA C 13 56.218 0.00 . 1 . . . . . 105 HIS CA . 27089 1 302 . 1 . 1 105 105 HIS CB C 13 26.125 0.00 . 1 . . . . . 105 HIS CB . 27089 1 303 . 1 . 1 106 106 CYS H H 1 7.482 0.01 . 1 . . . . . 106 CYS H . 27089 1 304 . 1 . 1 106 106 CYS CA C 13 60.802 0.07 . 1 . . . . . 106 CYS CA . 27089 1 305 . 1 . 1 106 106 CYS CB C 13 24.593 0.13 . 1 . . . . . 106 CYS CB . 27089 1 306 . 1 . 1 106 106 CYS N N 15 119.161 0.02 . 1 . . . . . 106 CYS N . 27089 1 307 . 1 . 1 107 107 SER H H 1 7.206 0.01 . 1 . . . . . 107 SER H . 27089 1 308 . 1 . 1 107 107 SER CA C 13 57.870 0.07 . 1 . . . . . 107 SER CA . 27089 1 309 . 1 . 1 107 107 SER CB C 13 59.227 0.01 . 1 . . . . . 107 SER CB . 27089 1 310 . 1 . 1 107 107 SER N N 15 112.015 0.07 . 1 . . . . . 107 SER N . 27089 1 311 . 1 . 1 108 108 MET H H 1 7.128 0.01 . 1 . . . . . 108 MET H . 27089 1 312 . 1 . 1 108 108 MET CA C 13 55.806 0.04 . 1 . . . . . 108 MET CA . 27089 1 313 . 1 . 1 108 108 MET CB C 13 29.562 0.03 . 1 . . . . . 108 MET CB . 27089 1 314 . 1 . 1 108 108 MET N N 15 123.957 0.05 . 1 . . . . . 108 MET N . 27089 1 315 . 1 . 1 109 109 LEU H H 1 8.172 0.01 . 1 . . . . . 109 LEU H . 27089 1 316 . 1 . 1 109 109 LEU CA C 13 54.609 0.06 . 1 . . . . . 109 LEU CA . 27089 1 317 . 1 . 1 109 109 LEU CB C 13 38.357 0.11 . 1 . . . . . 109 LEU CB . 27089 1 318 . 1 . 1 109 109 LEU N N 15 118.821 0.04 . 1 . . . . . 109 LEU N . 27089 1 319 . 1 . 1 110 110 ALA H H 1 7.210 0.01 . 1 . . . . . 110 ALA H . 27089 1 320 . 1 . 1 110 110 ALA CA C 13 52.399 0.08 . 1 . . . . . 110 ALA CA . 27089 1 321 . 1 . 1 110 110 ALA CB C 13 14.941 0.01 . 1 . . . . . 110 ALA CB . 27089 1 322 . 1 . 1 110 110 ALA N N 15 118.817 0.04 . 1 . . . . . 110 ALA N . 27089 1 323 . 1 . 1 111 111 GLU H H 1 7.344 0.01 . 1 . . . . . 111 GLU H . 27089 1 324 . 1 . 1 111 111 GLU CA C 13 57.095 0.01 . 1 . . . . . 111 GLU CA . 27089 1 325 . 1 . 1 111 111 GLU CB C 13 26.352 0.01 . 1 . . . . . 111 GLU CB . 27089 1 326 . 1 . 1 111 111 GLU N N 15 117.340 0.04 . 1 . . . . . 111 GLU N . 27089 1 327 . 1 . 1 112 112 ASP H H 1 8.493 0.01 . 1 . . . . . 112 ASP H . 27089 1 328 . 1 . 1 112 112 ASP CA C 13 54.407 0.02 . 1 . . . . . 112 ASP CA . 27089 1 329 . 1 . 1 112 112 ASP CB C 13 37.142 0.09 . 1 . . . . . 112 ASP CB . 27089 1 330 . 1 . 1 112 112 ASP N N 15 119.335 0.04 . 1 . . . . . 112 ASP N . 27089 1 331 . 1 . 1 113 113 ALA H H 1 9.149 0.01 . 1 . . . . . 113 ALA H . 27089 1 332 . 1 . 1 113 113 ALA CA C 13 52.585 0.07 . 1 . . . . . 113 ALA CA . 27089 1 333 . 1 . 1 113 113 ALA CB C 13 15.232 0.00 . 1 . . . . . 113 ALA CB . 27089 1 334 . 1 . 1 113 113 ALA N N 15 124.839 0.06 . 1 . . . . . 113 ALA N . 27089 1 335 . 1 . 1 114 114 ILE H H 1 7.926 0.01 . 1 . . . . . 114 ILE H . 27089 1 336 . 1 . 1 114 114 ILE CA C 13 61.873 0.03 . 1 . . . . . 114 ILE CA . 27089 1 337 . 1 . 1 114 114 ILE CB C 13 34.370 0.03 . 1 . . . . . 114 ILE CB . 27089 1 338 . 1 . 1 114 114 ILE N N 15 118.887 0.08 . 1 . . . . . 114 ILE N . 27089 1 339 . 1 . 1 115 115 LYS H H 1 8.227 0.00 . 1 . . . . . 115 LYS H . 27089 1 340 . 1 . 1 115 115 LYS CA C 13 46.546 14.16 . 1 . . . . . 115 LYS CA . 27089 1 341 . 1 . 1 115 115 LYS CB C 13 29.120 0.00 . 1 . . . . . 115 LYS CB . 27089 1 342 . 1 . 1 115 115 LYS N N 15 117.834 0.08 . 1 . . . . . 115 LYS N . 27089 1 343 . 1 . 1 116 116 ALA H H 1 8.740 0.01 . 1 . . . . . 116 ALA H . 27089 1 344 . 1 . 1 116 116 ALA CA C 13 51.772 0.05 . 1 . . . . . 116 ALA CA . 27089 1 345 . 1 . 1 116 116 ALA CB C 13 15.148 0.00 . 1 . . . . . 116 ALA CB . 27089 1 346 . 1 . 1 116 116 ALA N N 15 122.668 0.04 . 1 . . . . . 116 ALA N . 27089 1 347 . 1 . 1 117 117 ALA H H 1 8.524 0.01 . 1 . . . . . 117 ALA H . 27089 1 348 . 1 . 1 117 117 ALA CA C 13 52.371 0.05 . 1 . . . . . 117 ALA CA . 27089 1 349 . 1 . 1 117 117 ALA CB C 13 15.042 0.03 . 1 . . . . . 117 ALA CB . 27089 1 350 . 1 . 1 117 117 ALA N N 15 124.878 0.02 . 1 . . . . . 117 ALA N . 27089 1 351 . 1 . 1 118 118 LEU H H 1 8.366 0.01 . 1 . . . . . 118 LEU H . 27089 1 352 . 1 . 1 118 118 LEU CA C 13 54.906 0.03 . 1 . . . . . 118 LEU CA . 27089 1 353 . 1 . 1 118 118 LEU CB C 13 38.501 0.07 . 1 . . . . . 118 LEU CB . 27089 1 354 . 1 . 1 118 118 LEU N N 15 117.911 0.04 . 1 . . . . . 118 LEU N . 27089 1 355 . 1 . 1 119 119 ALA H H 1 8.265 0.01 . 1 . . . . . 119 ALA H . 27089 1 356 . 1 . 1 119 119 ALA CA C 13 52.266 0.12 . 1 . . . . . 119 ALA CA . 27089 1 357 . 1 . 1 119 119 ALA CB C 13 14.988 0.04 . 1 . . . . . 119 ALA CB . 27089 1 358 . 1 . 1 119 119 ALA N N 15 122.406 0.05 . 1 . . . . . 119 ALA N . 27089 1 359 . 1 . 1 120 120 ASP H H 1 8.039 0.01 . 1 . . . . . 120 ASP H . 27089 1 360 . 1 . 1 120 120 ASP CA C 13 54.805 0.03 . 1 . . . . . 120 ASP CA . 27089 1 361 . 1 . 1 120 120 ASP CB C 13 40.695 0.03 . 1 . . . . . 120 ASP CB . 27089 1 362 . 1 . 1 120 120 ASP N N 15 119.808 0.08 . 1 . . . . . 120 ASP N . 27089 1 363 . 1 . 1 121 121 TYR H H 1 8.144 0.00 . 1 . . . . . 121 TYR H . 27089 1 364 . 1 . 1 121 121 TYR CA C 13 58.729 0.01 . 1 . . . . . 121 TYR CA . 27089 1 365 . 1 . 1 121 121 TYR CB C 13 35.196 0.13 . 1 . . . . . 121 TYR CB . 27089 1 366 . 1 . 1 121 121 TYR N N 15 117.757 0.07 . 1 . . . . . 121 TYR N . 27089 1 367 . 1 . 1 122 122 LYS H H 1 8.442 0.01 . 1 . . . . . 122 LYS H . 27089 1 368 . 1 . 1 122 122 LYS CA C 13 50.371 11.90 . 1 . . . . . 122 LYS CA . 27089 1 369 . 1 . 1 122 122 LYS CB C 13 29.418 0.13 . 1 . . . . . 122 LYS CB . 27089 1 370 . 1 . 1 122 122 LYS N N 15 119.538 0.05 . 1 . . . . . 122 LYS N . 27089 1 371 . 1 . 1 123 123 LEU H H 1 8.061 0.01 . 1 . . . . . 123 LEU H . 27089 1 372 . 1 . 1 123 123 LEU CA C 13 54.675 0.01 . 1 . . . . . 123 LEU CA . 27089 1 373 . 1 . 1 123 123 LEU CB C 13 38.973 0.03 . 1 . . . . . 123 LEU CB . 27089 1 374 . 1 . 1 123 123 LEU N N 15 120.719 0.15 . 1 . . . . . 123 LEU N . 27089 1 375 . 1 . 1 124 124 LYS H H 1 7.558 0.01 . 1 . . . . . 124 LYS H . 27089 1 376 . 1 . 1 124 124 LYS CA C 13 55.396 0.03 . 1 . . . . . 124 LYS CA . 27089 1 377 . 1 . 1 124 124 LYS CB C 13 30.482 0.01 . 1 . . . . . 124 LYS CB . 27089 1 378 . 1 . 1 124 124 LYS N N 15 117.167 0.05 . 1 . . . . . 124 LYS N . 27089 1 379 . 1 . 1 125 125 GLN H H 1 7.366 0.01 . 1 . . . . . 125 GLN H . 27089 1 380 . 1 . 1 125 125 GLN CA C 13 51.302 0.00 . 1 . . . . . 125 GLN CA . 27089 1 381 . 1 . 1 125 125 GLN CB C 13 24.951 0.07 . 1 . . . . . 125 GLN CB . 27089 1 382 . 1 . 1 125 125 GLN N N 15 114.400 0.05 . 1 . . . . . 125 GLN N . 27089 1 383 . 1 . 1 126 126 GLU H H 1 7.645 0.01 . 1 . . . . . 126 GLU H . 27089 1 384 . 1 . 1 126 126 GLU CA C 13 51.688 0.00 . 1 . . . . . 126 GLU CA . 27089 1 385 . 1 . 1 126 126 GLU CB C 13 26.782 0.00 . 1 . . . . . 126 GLU CB . 27089 1 386 . 1 . 1 126 126 GLU N N 15 121.064 0.04 . 1 . . . . . 126 GLU N . 27089 1 387 . 1 . 1 127 127 PRO CA C 13 60.137 0.02 . 1 . . . . . 127 PRO CA . 27089 1 388 . 1 . 1 127 127 PRO CB C 13 29.165 0.00 . 1 . . . . . 127 PRO CB . 27089 1 389 . 1 . 1 128 128 LYS H H 1 8.472 0.01 . 1 . . . . . 128 LYS H . 27089 1 390 . 1 . 1 128 128 LYS CA C 13 53.080 10.15 . 1 . . . . . 128 LYS CA . 27089 1 391 . 1 . 1 128 128 LYS CB C 13 29.955 0.03 . 1 . . . . . 128 LYS CB . 27089 1 392 . 1 . 1 128 128 LYS N N 15 121.993 0.01 . 1 . . . . . 128 LYS N . 27089 1 393 . 1 . 1 129 129 LYS H H 1 8.374 0.19 . 1 . . . . . 129 LYS H . 27089 1 394 . 1 . 1 129 129 LYS CA C 13 53.509 0.00 . 1 . . . . . 129 LYS CA . 27089 1 395 . 1 . 1 129 129 LYS CB C 13 30.016 0.00 . 1 . . . . . 129 LYS CB . 27089 1 396 . 1 . 1 129 129 LYS N N 15 124.729 2.20 . 1 . . . . . 129 LYS N . 27089 1 397 . 1 . 1 130 130 GLY CA C 13 42.312 0.04 . 1 . . . . . 130 GLY CA . 27089 1 398 . 1 . 1 131 131 GLU H H 1 8.269 0.00 . 1 . . . . . 131 GLU H . 27089 1 399 . 1 . 1 131 131 GLU CA C 13 47.661 10.27 . 1 . . . . . 131 GLU CA . 27089 1 400 . 1 . 1 131 131 GLU CB C 13 27.502 0.07 . 1 . . . . . 131 GLU CB . 27089 1 401 . 1 . 1 131 131 GLU N N 15 120.799 0.05 . 1 . . . . . 131 GLU N . 27089 1 402 . 1 . 1 132 132 ALA H H 1 8.364 0.08 . 1 . . . . . 132 ALA H . 27089 1 403 . 1 . 1 132 132 ALA CA C 13 49.595 14.58 . 1 . . . . . 132 ALA CA . 27089 1 404 . 1 . 1 132 132 ALA CB C 13 16.280 0.03 . 1 . . . . . 132 ALA CB . 27089 1 405 . 1 . 1 132 132 ALA N N 15 123.767 1.68 . 1 . . . . . 132 ALA N . 27089 1 406 . 1 . 1 133 133 GLU H H 1 8.304 0.06 . 1 . . . . . 133 GLU H . 27089 1 407 . 1 . 1 133 133 GLU CA C 13 53.585 0.01 . 1 . . . . . 133 GLU CA . 27089 1 408 . 1 . 1 133 133 GLU CB C 13 27.423 0.03 . 1 . . . . . 133 GLU CB . 27089 1 409 . 1 . 1 133 133 GLU N N 15 120.199 0.17 . 1 . . . . . 133 GLU N . 27089 1 410 . 1 . 1 134 134 LYS H H 1 8.310 0.01 . 1 . . . . . 134 LYS H . 27089 1 411 . 1 . 1 134 134 LYS CA C 13 53.326 0.04 . 1 . . . . . 134 LYS CA . 27089 1 412 . 1 . 1 134 134 LYS CB C 13 29.952 0.03 . 1 . . . . . 134 LYS CB . 27089 1 413 . 1 . 1 134 134 LYS N N 15 123.547 0.01 . 1 . . . . . 134 LYS N . 27089 1 414 . 1 . 1 135 135 LYS H H 1 8.015 0.01 . 1 . . . . . 135 LYS H . 27089 1 415 . 1 . 1 135 135 LYS CA C 13 54.598 0.00 . 1 . . . . . 135 LYS CA . 27089 1 416 . 1 . 1 135 135 LYS CB C 13 30.717 0.00 . 1 . . . . . 135 LYS CB . 27089 1 417 . 1 . 1 135 135 LYS N N 15 128.829 0.00 . 1 . . . . . 135 LYS N . 27089 1 stop_ save_