################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52220 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Assigned_Chem_Shift_list_1 _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 $chem_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 3 '3D CBCACONH' . . . 52220 1 4 '3D HNCO' . . . 52220 1 5 '3D HNCA' . . . 52220 1 6 '3D HNCACB' . . . 52220 1 7 '3D HN(CA)CO' . . . 52220 1 8 '3D HN(CO)CA' . . . 52220 1 9 '3D HBHA(CO)NH' . . . 52220 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $software_6 . . 52220 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 7 7 SER C C 13 174.017 0.01 . 1 . . . . . 7 SER C . 52220 1 2 . 1 . 1 7 7 SER CA C 13 55.980 0.03 . 1 . . . . . 7 SER CA . 52220 1 3 . 1 . 1 8 8 VAL H H 1 8.112 0.02 . 1 . . . . . 8 VAL H . 52220 1 4 . 1 . 1 8 8 VAL CA C 13 57.368 0.00 . 1 . . . . . 8 VAL CA . 52220 1 5 . 1 . 1 8 8 VAL CB C 13 30.346 0.05 . 1 . . . . . 8 VAL CB . 52220 1 6 . 1 . 1 8 8 VAL N N 15 125.507 0.03 . 1 . . . . . 8 VAL N . 52220 1 7 . 1 . 1 9 9 PRO HA H 1 4.461 0.00 . 1 . . . . . 9 PRO HA . 52220 1 8 . 1 . 1 9 9 PRO HB2 H 1 2.313 0.00 . 1 . . . . . 9 PRO HB2 . 52220 1 9 . 1 . 1 9 9 PRO HB3 H 1 1.919 0.00 . 1 . . . . . 9 PRO HB3 . 52220 1 10 . 1 . 1 9 9 PRO C C 13 177.202 0.00 . 1 . . . . . 9 PRO C . 52220 1 11 . 1 . 1 9 9 PRO CA C 13 63.463 0.03 . 1 . . . . . 9 PRO CA . 52220 1 12 . 1 . 1 9 9 PRO CB C 13 32.191 0.01 . 1 . . . . . 9 PRO CB . 52220 1 13 . 1 . 1 10 10 THR H H 1 8.276 0.00 . 1 . . . . . 10 THR H . 52220 1 14 . 1 . 1 10 10 THR HA H 1 4.274 0.00 . 1 . . . . . 10 THR HA . 52220 1 15 . 1 . 1 10 10 THR C C 13 174.550 0.01 . 1 . . . . . 10 THR C . 52220 1 16 . 1 . 1 10 10 THR CA C 13 61.851 0.01 . 1 . . . . . 10 THR CA . 52220 1 17 . 1 . 1 10 10 THR CB C 13 69.684 0.02 . 1 . . . . . 10 THR CB . 52220 1 18 . 1 . 1 10 10 THR N N 15 113.807 0.02 . 1 . . . . . 10 THR N . 52220 1 19 . 1 . 1 11 11 ASP H H 1 8.333 0.00 . 1 . . . . . 11 ASP H . 52220 1 20 . 1 . 1 11 11 ASP HA H 1 4.577 0.00 . 1 . . . . . 11 ASP HA . 52220 1 21 . 1 . 1 11 11 ASP C C 13 176.660 0.06 . 1 . . . . . 11 ASP C . 52220 1 22 . 1 . 1 11 11 ASP CA C 13 54.475 0.02 . 1 . . . . . 11 ASP CA . 52220 1 23 . 1 . 1 11 11 ASP CB C 13 41.117 0.01 . 1 . . . . . 11 ASP CB . 52220 1 24 . 1 . 1 11 11 ASP N N 15 122.512 0.00 . 1 . . . . . 11 ASP N . 52220 1 25 . 1 . 1 12 12 GLY H H 1 8.329 0.01 . 1 . . . . . 12 GLY H . 52220 1 26 . 1 . 1 12 12 GLY HA2 H 1 4.490 0.00 . 1 . . . . . 12 GLY HA2 . 52220 1 27 . 1 . 1 12 12 GLY HA3 H 1 3.839 0.00 . 1 . . . . . 12 GLY HA3 . 52220 1 28 . 1 . 1 12 12 GLY C C 13 173.739 0.00 . 1 . . . . . 12 GLY C . 52220 1 29 . 1 . 1 12 12 GLY CA C 13 45.315 0.01 . 1 . . . . . 12 GLY CA . 52220 1 30 . 1 . 1 12 12 GLY N N 15 109.501 0.01 . 1 . . . . . 12 GLY N . 52220 1 31 . 1 . 1 13 13 ALA H H 1 8.086 0.00 . 1 . . . . . 13 ALA H . 52220 1 32 . 1 . 1 13 13 ALA HA H 1 4.310 0.00 . 1 . . . . . 13 ALA HA . 52220 1 33 . 1 . 1 13 13 ALA HB1 H 1 1.339 0.00 . 1 . . . . . 13 ALA HB . 52220 1 34 . 1 . 1 13 13 ALA HB2 H 1 1.339 0.00 . 1 . . . . . 13 ALA HB . 52220 1 35 . 1 . 1 13 13 ALA HB3 H 1 1.339 0.00 . 1 . . . . . 13 ALA HB . 52220 1 36 . 1 . 1 13 13 ALA C C 13 177.755 0.01 . 1 . . . . . 13 ALA C . 52220 1 37 . 1 . 1 13 13 ALA CA C 13 52.466 0.02 . 1 . . . . . 13 ALA CA . 52220 1 38 . 1 . 1 13 13 ALA CB C 13 19.396 0.02 . 1 . . . . . 13 ALA CB . 52220 1 39 . 1 . 1 13 13 ALA N N 15 123.393 0.00 . 1 . . . . . 13 ALA N . 52220 1 40 . 1 . 1 14 14 VAL H H 1 8.195 0.00 . 1 . . . . . 14 VAL H . 52220 1 41 . 1 . 1 14 14 VAL HA H 1 4.183 0.00 . 1 . . . . . 14 VAL HA . 52220 1 42 . 1 . 1 14 14 VAL C C 13 176.437 0.01 . 1 . . . . . 14 VAL C . 52220 1 43 . 1 . 1 14 14 VAL CA C 13 62.265 0.04 . 1 . . . . . 14 VAL CA . 52220 1 44 . 1 . 1 14 14 VAL CB C 13 32.842 0.01 . 1 . . . . . 14 VAL CB . 52220 1 45 . 1 . 1 14 14 VAL N N 15 119.496 0.00 . 1 . . . . . 14 VAL N . 52220 1 46 . 1 . 1 15 15 THR H H 1 8.341 0.00 . 1 . . . . . 15 THR H . 52220 1 47 . 1 . 1 15 15 THR HA H 1 4.442 0.00 . 1 . . . . . 15 THR HA . 52220 1 48 . 1 . 1 15 15 THR HB H 1 4.217 0.00 . 1 . . . . . 15 THR HB . 52220 1 49 . 1 . 1 15 15 THR C C 13 174.603 0.03 . 1 . . . . . 15 THR C . 52220 1 50 . 1 . 1 15 15 THR CA C 13 61.611 0.02 . 1 . . . . . 15 THR CA . 52220 1 51 . 1 . 1 15 15 THR CB C 13 69.870 0.01 . 1 . . . . . 15 THR CB . 52220 1 52 . 1 . 1 15 15 THR N N 15 118.187 0.01 . 1 . . . . . 15 THR N . 52220 1 53 . 1 . 1 16 16 THR H H 1 8.246 0.00 . 1 . . . . . 16 THR H . 52220 1 54 . 1 . 1 16 16 THR HA H 1 4.400 0.00 . 1 . . . . . 16 THR HA . 52220 1 55 . 1 . 1 16 16 THR HB H 1 4.206 0.00 . 1 . . . . . 16 THR HB . 52220 1 56 . 1 . 1 16 16 THR CA C 13 61.536 0.02 . 1 . . . . . 16 THR CA . 52220 1 57 . 1 . 1 16 16 THR CB C 13 69.789 0.03 . 1 . . . . . 16 THR CB . 52220 1 58 . 1 . 1 16 16 THR N N 15 116.197 0.00 . 1 . . . . . 16 THR N . 52220 1 59 . 1 . 1 17 17 SER H H 1 8.411 0.00 . 1 . . . . . 17 SER H . 52220 1 60 . 1 . 1 17 17 SER HA H 1 4.446 0.00 . 1 . . . . . 17 SER HA . 52220 1 61 . 1 . 1 17 17 SER HB2 H 1 3.844 0.00 . 1 . . . . . 17 SER HB2 . 52220 1 62 . 1 . 1 17 17 SER C C 13 174.459 0.00 . 1 . . . . . 17 SER C . 52220 1 63 . 1 . 1 17 17 SER CA C 13 58.438 0.03 . 1 . . . . . 17 SER CA . 52220 1 64 . 1 . 1 17 17 SER CB C 13 63.758 0.02 . 1 . . . . . 17 SER CB . 52220 1 65 . 1 . 1 17 17 SER N N 15 118.227 0.03 . 1 . . . . . 17 SER N . 52220 1 66 . 1 . 1 18 18 GLN H H 1 8.509 0.00 . 1 . . . . . 18 GLN H . 52220 1 67 . 1 . 1 18 18 GLN HA H 1 4.367 0.00 . 1 . . . . . 18 GLN HA . 52220 1 68 . 1 . 1 18 18 GLN C C 13 175.952 0.00 . 1 . . . . . 18 GLN C . 52220 1 69 . 1 . 1 18 18 GLN CA C 13 55.787 0.02 . 1 . . . . . 18 GLN CA . 52220 1 70 . 1 . 1 18 18 GLN CB C 13 29.652 0.01 . 1 . . . . . 18 GLN CB . 52220 1 71 . 1 . 1 18 18 GLN N N 15 122.244 0.00 . 1 . . . . . 18 GLN N . 52220 1 72 . 1 . 1 19 19 GLY H H 1 8.274 0.00 . 1 . . . . . 19 GLY H . 52220 1 73 . 1 . 1 19 19 GLY C C 13 175.963 0.00 . 1 . . . . . 19 GLY C . 52220 1 74 . 1 . 1 19 19 GLY CA C 13 44.565 0.00 . 1 . . . . . 19 GLY CA . 52220 1 75 . 1 . 1 19 19 GLY N N 15 110.017 0.01 . 1 . . . . . 19 GLY N . 52220 1 76 . 1 . 1 20 20 PRO HA H 1 4.376 0.00 . 1 . . . . . 20 PRO HA . 52220 1 77 . 1 . 1 20 20 PRO HB2 H 1 2.215 0.00 . 1 . . . . . 20 PRO HB2 . 52220 1 78 . 1 . 1 20 20 PRO HB3 H 1 1.884 0.00 . 1 . . . . . 20 PRO HB3 . 52220 1 79 . 1 . 1 20 20 PRO C C 13 177.215 0.00 . 1 . . . . . 20 PRO C . 52220 1 80 . 1 . 1 20 20 PRO CA C 13 63.220 0.02 . 1 . . . . . 20 PRO CA . 52220 1 81 . 1 . 1 20 20 PRO CB C 13 32.056 0.01 . 1 . . . . . 20 PRO CB . 52220 1 82 . 1 . 1 21 21 ALA H H 1 8.550 0.00 . 1 . . . . . 21 ALA H . 52220 1 83 . 1 . 1 21 21 ALA HA H 1 4.267 0.00 . 1 . . . . . 21 ALA HA . 52220 1 84 . 1 . 1 21 21 ALA C C 13 178.291 0.00 . 1 . . . . . 21 ALA C . 52220 1 85 . 1 . 1 21 21 ALA CA C 13 53.048 0.02 . 1 . . . . . 21 ALA CA . 52220 1 86 . 1 . 1 21 21 ALA N N 15 124.471 0.00 . 1 . . . . . 21 ALA N . 52220 1 87 . 1 . 1 22 22 SER H H 1 8.263 0.00 . 1 . . . . . 22 SER H . 52220 1 88 . 1 . 1 22 22 SER HA H 1 4.367 0.00 . 1 . . . . . 22 SER HA . 52220 1 89 . 1 . 1 22 22 SER HB2 H 1 3.841 0.00 . 1 . . . . . 22 SER HB2 . 52220 1 90 . 1 . 1 22 22 SER HB3 H 1 3.939 0.00 . 1 . . . . . 22 SER HB3 . 52220 1 91 . 1 . 1 22 22 SER C C 13 175.604 0.00 . 1 . . . . . 22 SER C . 52220 1 92 . 1 . 1 22 22 SER CA C 13 58.710 0.02 . 1 . . . . . 22 SER CA . 52220 1 93 . 1 . 1 22 22 SER CB C 13 63.734 0.04 . 1 . . . . . 22 SER CB . 52220 1 94 . 1 . 1 22 22 SER N N 15 114.273 0.01 . 1 . . . . . 22 SER N . 52220 1 95 . 1 . 1 23 23 GLU H H 1 8.506 0.00 . 1 . . . . . 23 GLU H . 52220 1 96 . 1 . 1 23 23 GLU HB2 H 1 1.977 0.00 . 1 . . . . . 23 GLU HB2 . 52220 1 97 . 1 . 1 23 23 GLU C C 13 177.701 0.01 . 1 . . . . . 23 GLU C . 52220 1 98 . 1 . 1 23 23 GLU CA C 13 57.793 0.02 . 1 . . . . . 23 GLU CA . 52220 1 99 . 1 . 1 23 23 GLU CB C 13 29.861 0.03 . 1 . . . . . 23 GLU CB . 52220 1 100 . 1 . 1 23 23 GLU N N 15 123.423 0.01 . 1 . . . . . 23 GLU N . 52220 1 101 . 1 . 1 24 24 GLN H H 1 8.329 0.00 . 1 . . . . . 24 GLN H . 52220 1 102 . 1 . 1 24 24 GLN HA H 1 4.245 0.00 . 1 . . . . . 24 GLN HA . 52220 1 103 . 1 . 1 24 24 GLN CA C 13 57.308 0.04 . 1 . . . . . 24 GLN CA . 52220 1 104 . 1 . 1 24 24 GLN CB C 13 29.168 0.01 . 1 . . . . . 24 GLN CB . 52220 1 105 . 1 . 1 24 24 GLN N N 15 118.689 0.01 . 1 . . . . . 24 GLN N . 52220 1 106 . 1 . 1 25 25 GLU H H 1 8.095 0.00 . 1 . . . . . 25 GLU H . 52220 1 107 . 1 . 1 25 25 GLU HA H 1 4.455 0.00 . 1 . . . . . 25 GLU HA . 52220 1 108 . 1 . 1 25 25 GLU C C 13 176.049 0.01 . 1 . . . . . 25 GLU C . 52220 1 109 . 1 . 1 25 25 GLU CA C 13 56.050 0.02 . 1 . . . . . 25 GLU CA . 52220 1 110 . 1 . 1 25 25 GLU CB C 13 30.153 0.01 . 1 . . . . . 25 GLU CB . 52220 1 111 . 1 . 1 25 25 GLU N N 15 118.984 0.01 . 1 . . . . . 25 GLU N . 52220 1 112 . 1 . 1 26 26 THR H H 1 7.827 0.00 . 1 . . . . . 26 THR H . 52220 1 113 . 1 . 1 26 26 THR HA H 1 4.049 0.00 . 1 . . . . . 26 THR HA . 52220 1 114 . 1 . 1 26 26 THR C C 13 173.165 0.00 . 1 . . . . . 26 THR C . 52220 1 115 . 1 . 1 26 26 THR CA C 13 64.052 0.04 . 1 . . . . . 26 THR CA . 52220 1 116 . 1 . 1 26 26 THR CB C 13 70.174 0.01 . 1 . . . . . 26 THR CB . 52220 1 117 . 1 . 1 26 26 THR N N 15 117.930 0.01 . 1 . . . . . 26 THR N . 52220 1 118 . 1 . 1 27 27 LEU H H 1 8.604 0.00 . 1 . . . . . 27 LEU H . 52220 1 119 . 1 . 1 27 27 LEU C C 13 176.899 0.00 . 1 . . . . . 27 LEU C . 52220 1 120 . 1 . 1 27 27 LEU CA C 13 54.313 0.03 . 1 . . . . . 27 LEU CA . 52220 1 121 . 1 . 1 27 27 LEU CB C 13 43.364 0.05 . 1 . . . . . 27 LEU CB . 52220 1 122 . 1 . 1 27 27 LEU N N 15 127.797 0.01 . 1 . . . . . 27 LEU N . 52220 1 123 . 1 . 1 28 28 VAL H H 1 9.738 0.00 . 1 . . . . . 28 VAL H . 52220 1 124 . 1 . 1 28 28 VAL HA H 1 5.143 0.00 . 1 . . . . . 28 VAL HA . 52220 1 125 . 1 . 1 28 28 VAL C C 13 174.040 0.00 . 1 . . . . . 28 VAL C . 52220 1 126 . 1 . 1 28 28 VAL CA C 13 58.923 0.00 . 1 . . . . . 28 VAL CA . 52220 1 127 . 1 . 1 28 28 VAL CB C 13 36.274 0.00 . 1 . . . . . 28 VAL CB . 52220 1 128 . 1 . 1 28 28 VAL N N 15 115.670 0.02 . 1 . . . . . 28 VAL N . 52220 1 129 . 1 . 1 29 29 ARG H H 1 9.308 0.00 . 1 . . . . . 29 ARG H . 52220 1 130 . 1 . 1 29 29 ARG CA C 13 52.475 0.04 . 1 . . . . . 29 ARG CA . 52220 1 131 . 1 . 1 29 29 ARG CB C 13 32.436 0.00 . 1 . . . . . 29 ARG CB . 52220 1 132 . 1 . 1 29 29 ARG N N 15 121.865 0.02 . 1 . . . . . 29 ARG N . 52220 1 133 . 1 . 1 30 30 PRO HA H 1 4.549 0.00 . 1 . . . . . 30 PRO HA . 52220 1 134 . 1 . 1 30 30 PRO C C 13 175.689 0.00 . 1 . . . . . 30 PRO C . 52220 1 135 . 1 . 1 30 30 PRO CA C 13 62.944 0.01 . 1 . . . . . 30 PRO CA . 52220 1 136 . 1 . 1 30 30 PRO CB C 13 32.627 0.00 . 1 . . . . . 30 PRO CB . 52220 1 137 . 1 . 1 31 31 LYS H H 1 8.317 0.00 . 1 . . . . . 31 LYS H . 52220 1 138 . 1 . 1 31 31 LYS CA C 13 56.906 0.05 . 1 . . . . . 31 LYS CA . 52220 1 139 . 1 . 1 31 31 LYS CB C 13 30.767 0.00 . 1 . . . . . 31 LYS CB . 52220 1 140 . 1 . 1 31 31 LYS N N 15 123.539 0.01 . 1 . . . . . 31 LYS N . 52220 1 141 . 1 . 1 32 32 PRO HA H 1 4.074 0.00 . 1 . . . . . 32 PRO HA . 52220 1 142 . 1 . 1 32 32 PRO C C 13 179.046 0.00 . 1 . . . . . 32 PRO C . 52220 1 143 . 1 . 1 32 32 PRO CA C 13 67.490 0.03 . 1 . . . . . 32 PRO CA . 52220 1 144 . 1 . 1 32 32 PRO CB C 13 32.688 0.00 . 1 . . . . . 32 PRO CB . 52220 1 145 . 1 . 1 33 33 LEU H H 1 8.891 0.00 . 1 . . . . . 33 LEU H . 52220 1 146 . 1 . 1 33 33 LEU HA H 1 4.180 0.00 . 1 . . . . . 33 LEU HA . 52220 1 147 . 1 . 1 33 33 LEU C C 13 178.379 0.00 . 1 . . . . . 33 LEU C . 52220 1 148 . 1 . 1 33 33 LEU CA C 13 58.217 0.03 . 1 . . . . . 33 LEU CA . 52220 1 149 . 1 . 1 33 33 LEU CB C 13 41.238 0.01 . 1 . . . . . 33 LEU CB . 52220 1 150 . 1 . 1 33 33 LEU N N 15 118.692 0.02 . 1 . . . . . 33 LEU N . 52220 1 151 . 1 . 1 34 34 LEU H H 1 7.535 0.00 . 1 . . . . . 34 LEU H . 52220 1 152 . 1 . 1 34 34 LEU HA H 1 4.028 0.00 . 1 . . . . . 34 LEU HA . 52220 1 153 . 1 . 1 34 34 LEU C C 13 177.836 0.11 . 1 . . . . . 34 LEU C . 52220 1 154 . 1 . 1 34 34 LEU CA C 13 56.962 0.03 . 1 . . . . . 34 LEU CA . 52220 1 155 . 1 . 1 34 34 LEU CB C 13 40.489 0.01 . 1 . . . . . 34 LEU CB . 52220 1 156 . 1 . 1 34 34 LEU N N 15 118.636 0.01 . 1 . . . . . 34 LEU N . 52220 1 157 . 1 . 1 35 35 LEU H H 1 8.612 0.00 . 1 . . . . . 35 LEU H . 52220 1 158 . 1 . 1 35 35 LEU HA H 1 3.798 0.00 . 1 . . . . . 35 LEU HA . 52220 1 159 . 1 . 1 35 35 LEU C C 13 176.037 0.00 . 1 . . . . . 35 LEU C . 52220 1 160 . 1 . 1 35 35 LEU CA C 13 58.208 0.04 . 1 . . . . . 35 LEU CA . 52220 1 161 . 1 . 1 35 35 LEU CB C 13 41.440 0.00 . 1 . . . . . 35 LEU CB . 52220 1 162 . 1 . 1 35 35 LEU N N 15 120.002 0.01 . 1 . . . . . 35 LEU N . 52220 1 163 . 1 . 1 36 36 LYS H H 1 7.879 0.00 . 1 . . . . . 36 LYS H . 52220 1 164 . 1 . 1 36 36 LYS HA H 1 3.845 0.00 . 1 . . . . . 36 LYS HA . 52220 1 165 . 1 . 1 36 36 LYS C C 13 179.354 0.01 . 1 . . . . . 36 LYS C . 52220 1 166 . 1 . 1 36 36 LYS CA C 13 59.794 0.03 . 1 . . . . . 36 LYS CA . 52220 1 167 . 1 . 1 36 36 LYS CB C 13 32.191 0.01 . 1 . . . . . 36 LYS CB . 52220 1 168 . 1 . 1 36 36 LYS N N 15 118.105 0.01 . 1 . . . . . 36 LYS N . 52220 1 169 . 1 . 1 37 37 LEU H H 1 7.408 0.00 . 1 . . . . . 37 LEU H . 52220 1 170 . 1 . 1 37 37 LEU C C 13 180.375 0.00 . 1 . . . . . 37 LEU C . 52220 1 171 . 1 . 1 37 37 LEU CA C 13 59.559 0.06 . 1 . . . . . 37 LEU CA . 52220 1 172 . 1 . 1 37 37 LEU CB C 13 29.744 0.00 . 1 . . . . . 37 LEU CB . 52220 1 173 . 1 . 1 37 37 LEU N N 15 120.881 0.01 . 1 . . . . . 37 LEU N . 52220 1 174 . 1 . 1 38 38 LEU H H 1 8.334 0.00 . 1 . . . . . 38 LEU H . 52220 1 175 . 1 . 1 38 38 LEU HA H 1 3.585 0.00 . 1 . . . . . 38 LEU HA . 52220 1 176 . 1 . 1 38 38 LEU C C 13 179.176 0.00 . 1 . . . . . 38 LEU C . 52220 1 177 . 1 . 1 38 38 LEU CA C 13 58.052 0.03 . 1 . . . . . 38 LEU CA . 52220 1 178 . 1 . 1 38 38 LEU CB C 13 39.621 0.00 . 1 . . . . . 38 LEU CB . 52220 1 179 . 1 . 1 38 38 LEU N N 15 120.733 0.01 . 1 . . . . . 38 LEU N . 52220 1 180 . 1 . 1 39 39 LYS H H 1 8.735 0.00 . 1 . . . . . 39 LYS H . 52220 1 181 . 1 . 1 39 39 LYS HA H 1 4.266 0.00 . 1 . . . . . 39 LYS HA . 52220 1 182 . 1 . 1 39 39 LYS C C 13 180.305 0.00 . 1 . . . . . 39 LYS C . 52220 1 183 . 1 . 1 39 39 LYS CA C 13 55.446 9.54 . 1 . . . . . 39 LYS CA . 52220 1 184 . 1 . 1 39 39 LYS CB C 13 32.048 0.00 . 1 . . . . . 39 LYS CB . 52220 1 185 . 1 . 1 39 39 LYS N N 15 118.103 0.01 . 1 . . . . . 39 LYS N . 52220 1 186 . 1 . 1 40 40 SER H H 1 7.876 0.00 . 1 . . . . . 40 SER H . 52220 1 187 . 1 . 1 40 40 SER HA H 1 4.409 0.00 . 1 . . . . . 40 SER HA . 52220 1 188 . 1 . 1 40 40 SER C C 13 175.317 0.00 . 1 . . . . . 40 SER C . 52220 1 189 . 1 . 1 40 40 SER CA C 13 61.605 0.02 . 1 . . . . . 40 SER CA . 52220 1 190 . 1 . 1 40 40 SER CB C 13 62.978 0.04 . 1 . . . . . 40 SER CB . 52220 1 191 . 1 . 1 40 40 SER N N 15 116.872 0.01 . 1 . . . . . 40 SER N . 52220 1 192 . 1 . 1 41 41 VAL H H 1 7.271 0.00 . 1 . . . . . 41 VAL H . 52220 1 193 . 1 . 1 41 41 VAL HA H 1 4.751 0.00 . 1 . . . . . 41 VAL HA . 52220 1 194 . 1 . 1 41 41 VAL HB H 1 2.721 0.00 . 1 . . . . . 41 VAL HB . 52220 1 195 . 1 . 1 41 41 VAL C C 13 175.656 0.00 . 1 . . . . . 41 VAL C . 52220 1 196 . 1 . 1 41 41 VAL CA C 13 60.617 0.02 . 1 . . . . . 41 VAL CA . 52220 1 197 . 1 . 1 41 41 VAL CB C 13 31.078 0.00 . 1 . . . . . 41 VAL CB . 52220 1 198 . 1 . 1 41 41 VAL N N 15 113.235 0.01 . 1 . . . . . 41 VAL N . 52220 1 199 . 1 . 1 42 42 GLY H H 1 7.501 0.00 . 1 . . . . . 42 GLY H . 52220 1 200 . 1 . 1 42 42 GLY HA2 H 1 4.384 0.00 . 1 . . . . . 42 GLY HA2 . 52220 1 201 . 1 . 1 42 42 GLY HA3 H 1 3.710 0.00 . 1 . . . . . 42 GLY HA3 . 52220 1 202 . 1 . 1 42 42 GLY C C 13 174.364 0.00 . 1 . . . . . 42 GLY C . 52220 1 203 . 1 . 1 42 42 GLY CA C 13 45.448 0.01 . 1 . . . . . 42 GLY CA . 52220 1 204 . 1 . 1 42 42 GLY N N 15 106.313 0.01 . 1 . . . . . 42 GLY N . 52220 1 205 . 1 . 1 43 43 ALA H H 1 7.353 0.00 . 1 . . . . . 43 ALA H . 52220 1 206 . 1 . 1 43 43 ALA HA H 1 4.043 0.00 . 1 . . . . . 43 ALA HA . 52220 1 207 . 1 . 1 43 43 ALA C C 13 178.095 0.00 . 1 . . . . . 43 ALA C . 52220 1 208 . 1 . 1 43 43 ALA CA C 13 53.139 0.02 . 1 . . . . . 43 ALA CA . 52220 1 209 . 1 . 1 43 43 ALA CB C 13 18.619 0.00 . 1 . . . . . 43 ALA CB . 52220 1 210 . 1 . 1 43 43 ALA N N 15 124.939 0.01 . 1 . . . . . 43 ALA N . 52220 1 211 . 1 . 1 44 44 GLN H H 1 8.792 0.00 . 1 . . . . . 44 GLN H . 52220 1 212 . 1 . 1 44 44 GLN HA H 1 4.542 0.00 . 1 . . . . . 44 GLN HA . 52220 1 213 . 1 . 1 44 44 GLN C C 13 175.666 0.01 . 1 . . . . . 44 GLN C . 52220 1 214 . 1 . 1 44 44 GLN CA C 13 55.690 0.04 . 1 . . . . . 44 GLN CA . 52220 1 215 . 1 . 1 44 44 GLN CB C 13 31.085 0.04 . 1 . . . . . 44 GLN CB . 52220 1 216 . 1 . 1 44 44 GLN N N 15 117.961 0.01 . 1 . . . . . 44 GLN N . 52220 1 217 . 1 . 1 45 45 LYS H H 1 7.349 0.00 . 1 . . . . . 45 LYS H . 52220 1 218 . 1 . 1 45 45 LYS CA C 13 55.615 0.03 . 1 . . . . . 45 LYS CA . 52220 1 219 . 1 . 1 45 45 LYS CB C 13 34.851 0.00 . 1 . . . . . 45 LYS CB . 52220 1 220 . 1 . 1 45 45 LYS N N 15 118.317 0.00 . 1 . . . . . 45 LYS N . 52220 1 221 . 1 . 1 46 46 ASP HA H 1 4.895 0.00 . 1 . . . . . 46 ASP HA . 52220 1 222 . 1 . 1 46 46 ASP HB2 H 1 2.673 0.00 . 1 . . . . . 46 ASP HB2 . 52220 1 223 . 1 . 1 46 46 ASP C C 13 175.777 0.00 . 1 . . . . . 46 ASP C . 52220 1 224 . 1 . 1 46 46 ASP CA C 13 55.181 0.01 . 1 . . . . . 46 ASP CA . 52220 1 225 . 1 . 1 46 46 ASP CB C 13 42.335 0.02 . 1 . . . . . 46 ASP CB . 52220 1 226 . 1 . 1 47 47 THR H H 1 7.032 0.00 . 1 . . . . . 47 THR H . 52220 1 227 . 1 . 1 47 47 THR HB H 1 3.916 0.00 . 1 . . . . . 47 THR HB . 52220 1 228 . 1 . 1 47 47 THR C C 13 172.286 0.00 . 1 . . . . . 47 THR C . 52220 1 229 . 1 . 1 47 47 THR CA C 13 60.633 0.04 . 1 . . . . . 47 THR CA . 52220 1 230 . 1 . 1 47 47 THR CB C 13 71.686 0.01 . 1 . . . . . 47 THR CB . 52220 1 231 . 1 . 1 47 47 THR N N 15 111.194 0.01 . 1 . . . . . 47 THR N . 52220 1 232 . 1 . 1 48 48 TYR H H 1 8.764 0.00 . 1 . . . . . 48 TYR H . 52220 1 233 . 1 . 1 48 48 TYR C C 13 175.856 0.00 . 1 . . . . . 48 TYR C . 52220 1 234 . 1 . 1 48 48 TYR CA C 13 57.336 0.02 . 1 . . . . . 48 TYR CA . 52220 1 235 . 1 . 1 48 48 TYR CB C 13 45.761 0.02 . 1 . . . . . 48 TYR CB . 52220 1 236 . 1 . 1 48 48 TYR N N 15 119.730 0.02 . 1 . . . . . 48 TYR N . 52220 1 237 . 1 . 1 49 49 THR H H 1 9.049 0.00 . 1 . . . . . 49 THR H . 52220 1 238 . 1 . 1 49 49 THR C C 13 177.669 0.00 . 1 . . . . . 49 THR C . 52220 1 239 . 1 . 1 49 49 THR CA C 13 60.882 0.00 . 1 . . . . . 49 THR CA . 52220 1 240 . 1 . 1 49 49 THR N N 15 110.438 0.01 . 1 . . . . . 49 THR N . 52220 1 241 . 1 . 1 50 50 MET H H 1 8.810 0.00 . 1 . . . . . 50 MET H . 52220 1 242 . 1 . 1 50 50 MET C C 13 178.149 0.00 . 1 . . . . . 50 MET C . 52220 1 243 . 1 . 1 50 50 MET CA C 13 57.362 0.01 . 1 . . . . . 50 MET CA . 52220 1 244 . 1 . 1 50 50 MET CB C 13 30.484 0.00 . 1 . . . . . 50 MET CB . 52220 1 245 . 1 . 1 50 50 MET N N 15 121.886 0.02 . 1 . . . . . 50 MET N . 52220 1 246 . 1 . 1 51 51 LYS H H 1 8.553 0.00 . 1 . . . . . 51 LYS H . 52220 1 247 . 1 . 1 51 51 LYS HA H 1 3.986 0.00 . 1 . . . . . 51 LYS HA . 52220 1 248 . 1 . 1 51 51 LYS C C 13 177.953 2.04 . 1 . . . . . 51 LYS C . 52220 1 249 . 1 . 1 51 51 LYS CA C 13 60.210 0.02 . 1 . . . . . 51 LYS CA . 52220 1 250 . 1 . 1 51 51 LYS N N 15 117.929 0.01 . 1 . . . . . 51 LYS N . 52220 1 251 . 1 . 1 52 52 GLU H H 1 7.913 0.15 . 1 . . . . . 52 GLU H . 52220 1 252 . 1 . 1 52 52 GLU HA H 1 4.094 0.00 . 1 . . . . . 52 GLU HA . 52220 1 253 . 1 . 1 52 52 GLU C C 13 176.574 1.63 . 1 . . . . . 52 GLU C . 52220 1 254 . 1 . 1 52 52 GLU CA C 13 59.389 0.03 . 1 . . . . . 52 GLU CA . 52220 1 255 . 1 . 1 52 52 GLU N N 15 119.353 0.22 . 1 . . . . . 52 GLU N . 52220 1 256 . 1 . 1 53 53 VAL H H 1 8.141 0.05 . 1 . . . . . 53 VAL H . 52220 1 257 . 1 . 1 53 53 VAL CA C 13 68.046 0.04 . 1 . . . . . 53 VAL CA . 52220 1 258 . 1 . 1 53 53 VAL CB C 13 31.470 0.00 . 1 . . . . . 53 VAL CB . 52220 1 259 . 1 . 1 53 53 VAL N N 15 119.509 0.30 . 1 . . . . . 53 VAL N . 52220 1 260 . 1 . 1 54 54 LEU HA H 1 3.727 0.00 . 1 . . . . . 54 LEU HA . 52220 1 261 . 1 . 1 54 54 LEU C C 13 178.688 0.00 . 1 . . . . . 54 LEU C . 52220 1 262 . 1 . 1 54 54 LEU CA C 13 57.792 0.01 . 1 . . . . . 54 LEU CA . 52220 1 263 . 1 . 1 55 55 PHE H H 1 7.812 0.00 . 1 . . . . . 55 PHE H . 52220 1 264 . 1 . 1 55 55 PHE HA H 1 4.122 0.00 . 1 . . . . . 55 PHE HA . 52220 1 265 . 1 . 1 55 55 PHE C C 13 177.350 0.00 . 1 . . . . . 55 PHE C . 52220 1 266 . 1 . 1 55 55 PHE CA C 13 61.610 0.02 . 1 . . . . . 55 PHE CA . 52220 1 267 . 1 . 1 55 55 PHE N N 15 119.992 0.01 . 1 . . . . . 55 PHE N . 52220 1 268 . 1 . 1 56 56 TYR H H 1 8.583 0.00 . 1 . . . . . 56 TYR H . 52220 1 269 . 1 . 1 56 56 TYR HA H 1 4.036 0.00 . 1 . . . . . 56 TYR HA . 52220 1 270 . 1 . 1 56 56 TYR C C 13 179.022 0.00 . 1 . . . . . 56 TYR C . 52220 1 271 . 1 . 1 56 56 TYR CA C 13 62.574 0.04 . 1 . . . . . 56 TYR CA . 52220 1 272 . 1 . 1 56 56 TYR CB C 13 38.844 0.02 . 1 . . . . . 56 TYR CB . 52220 1 273 . 1 . 1 56 56 TYR N N 15 118.177 0.02 . 1 . . . . . 56 TYR N . 52220 1 274 . 1 . 1 57 57 LEU H H 1 8.711 0.00 . 1 . . . . . 57 LEU H . 52220 1 275 . 1 . 1 57 57 LEU HA H 1 3.933 0.00 . 1 . . . . . 57 LEU HA . 52220 1 276 . 1 . 1 57 57 LEU C C 13 178.976 0.01 . 1 . . . . . 57 LEU C . 52220 1 277 . 1 . 1 57 57 LEU CA C 13 58.052 0.03 . 1 . . . . . 57 LEU CA . 52220 1 278 . 1 . 1 57 57 LEU N N 15 119.672 0.01 . 1 . . . . . 57 LEU N . 52220 1 279 . 1 . 1 58 58 GLY H H 1 8.422 0.00 . 1 . . . . . 58 GLY H . 52220 1 280 . 1 . 1 58 58 GLY C C 13 175.547 0.00 . 1 . . . . . 58 GLY C . 52220 1 281 . 1 . 1 58 58 GLY CA C 13 47.298 0.03 . 1 . . . . . 58 GLY CA . 52220 1 282 . 1 . 1 58 58 GLY N N 15 107.699 0.01 . 1 . . . . . 58 GLY N . 52220 1 283 . 1 . 1 59 59 GLN H H 1 8.253 0.00 . 1 . . . . . 59 GLN H . 52220 1 284 . 1 . 1 59 59 GLN HA H 1 3.896 0.00 . 1 . . . . . 59 GLN HA . 52220 1 285 . 1 . 1 59 59 GLN C C 13 179.163 0.00 . 1 . . . . . 59 GLN C . 52220 1 286 . 1 . 1 59 59 GLN CA C 13 58.583 0.02 . 1 . . . . . 59 GLN CA . 52220 1 287 . 1 . 1 59 59 GLN CB C 13 28.448 0.03 . 1 . . . . . 59 GLN CB . 52220 1 288 . 1 . 1 59 59 GLN N N 15 120.711 0.01 . 1 . . . . . 59 GLN N . 52220 1 289 . 1 . 1 60 60 TYR H H 1 8.754 0.00 . 1 . . . . . 60 TYR H . 52220 1 290 . 1 . 1 60 60 TYR HA H 1 3.786 0.00 . 1 . . . . . 60 TYR HA . 52220 1 291 . 1 . 1 60 60 TYR C C 13 176.061 0.00 . 1 . . . . . 60 TYR C . 52220 1 292 . 1 . 1 60 60 TYR CA C 13 62.627 0.03 . 1 . . . . . 60 TYR CA . 52220 1 293 . 1 . 1 60 60 TYR CB C 13 38.283 0.00 . 1 . . . . . 60 TYR CB . 52220 1 294 . 1 . 1 60 60 TYR N N 15 123.871 0.02 . 1 . . . . . 60 TYR N . 52220 1 295 . 1 . 1 61 61 ILE H H 1 8.270 0.00 . 1 . . . . . 61 ILE H . 52220 1 296 . 1 . 1 61 61 ILE HA H 1 3.202 0.00 . 1 . . . . . 61 ILE HA . 52220 1 297 . 1 . 1 61 61 ILE C C 13 177.873 0.00 . 1 . . . . . 61 ILE C . 52220 1 298 . 1 . 1 61 61 ILE CA C 13 66.120 0.03 . 1 . . . . . 61 ILE CA . 52220 1 299 . 1 . 1 61 61 ILE CB C 13 38.351 0.00 . 1 . . . . . 61 ILE CB . 52220 1 300 . 1 . 1 61 61 ILE N N 15 119.251 0.02 . 1 . . . . . 61 ILE N . 52220 1 301 . 1 . 1 62 62 MET H H 1 7.770 0.00 . 1 . . . . . 62 MET H . 52220 1 302 . 1 . 1 62 62 MET HA H 1 4.377 0.00 . 1 . . . . . 62 MET HA . 52220 1 303 . 1 . 1 62 62 MET C C 13 180.106 0.00 . 1 . . . . . 62 MET C . 52220 1 304 . 1 . 1 62 62 MET CA C 13 58.002 0.04 . 1 . . . . . 62 MET CA . 52220 1 305 . 1 . 1 62 62 MET N N 15 115.466 0.01 . 1 . . . . . 62 MET N . 52220 1 306 . 1 . 1 63 63 THR H H 1 8.720 0.00 . 1 . . . . . 63 THR H . 52220 1 307 . 1 . 1 63 63 THR HA H 1 4.127 0.00 . 1 . . . . . 63 THR HA . 52220 1 308 . 1 . 1 63 63 THR HB H 1 3.970 0.00 . 1 . . . . . 63 THR HB . 52220 1 309 . 1 . 1 63 63 THR C C 13 176.470 0.00 . 1 . . . . . 63 THR C . 52220 1 310 . 1 . 1 63 63 THR CA C 13 66.329 0.04 . 1 . . . . . 63 THR CA . 52220 1 311 . 1 . 1 63 63 THR CB C 13 69.138 0.03 . 1 . . . . . 63 THR CB . 52220 1 312 . 1 . 1 63 63 THR N N 15 117.244 0.02 . 1 . . . . . 63 THR N . 52220 1 313 . 1 . 1 64 64 LYS H H 1 7.843 0.00 . 1 . . . . . 64 LYS H . 52220 1 314 . 1 . 1 64 64 LYS HA H 1 4.052 0.00 . 1 . . . . . 64 LYS HA . 52220 1 315 . 1 . 1 64 64 LYS CA C 13 55.456 0.03 . 1 . . . . . 64 LYS CA . 52220 1 316 . 1 . 1 64 64 LYS CB C 13 30.992 0.01 . 1 . . . . . 64 LYS CB . 52220 1 317 . 1 . 1 64 64 LYS N N 15 118.607 0.01 . 1 . . . . . 64 LYS N . 52220 1 318 . 1 . 1 65 65 ARG H H 1 7.613 0.00 . 1 . . . . . 65 ARG H . 52220 1 319 . 1 . 1 65 65 ARG C C 13 176.127 0.00 . 1 . . . . . 65 ARG C . 52220 1 320 . 1 . 1 65 65 ARG CA C 13 56.850 0.05 . 1 . . . . . 65 ARG CA . 52220 1 321 . 1 . 1 65 65 ARG N N 15 115.356 0.01 . 1 . . . . . 65 ARG N . 52220 1 322 . 1 . 1 66 66 LEU H H 1 7.668 0.00 . 1 . . . . . 66 LEU H . 52220 1 323 . 1 . 1 66 66 LEU C C 13 175.577 0.00 . 1 . . . . . 66 LEU C . 52220 1 324 . 1 . 1 66 66 LEU CA C 13 54.865 0.03 . 1 . . . . . 66 LEU CA . 52220 1 325 . 1 . 1 66 66 LEU N N 15 115.219 0.01 . 1 . . . . . 66 LEU N . 52220 1 326 . 1 . 1 67 67 TYR H H 1 7.169 0.00 . 1 . . . . . 67 TYR H . 52220 1 327 . 1 . 1 67 67 TYR C C 13 173.991 0.00 . 1 . . . . . 67 TYR C . 52220 1 328 . 1 . 1 67 67 TYR CA C 13 55.286 0.03 . 1 . . . . . 67 TYR CA . 52220 1 329 . 1 . 1 67 67 TYR CB C 13 40.935 0.01 . 1 . . . . . 67 TYR CB . 52220 1 330 . 1 . 1 67 67 TYR N N 15 116.016 0.02 . 1 . . . . . 67 TYR N . 52220 1 331 . 1 . 1 68 68 ASP H H 1 8.541 0.00 . 1 . . . . . 68 ASP H . 52220 1 332 . 1 . 1 68 68 ASP HA H 1 4.431 0.00 . 1 . . . . . 68 ASP HA . 52220 1 333 . 1 . 1 68 68 ASP HB2 H 1 2.469 0.00 . 1 . . . . . 68 ASP HB2 . 52220 1 334 . 1 . 1 68 68 ASP C C 13 175.993 0.00 . 1 . . . . . 68 ASP C . 52220 1 335 . 1 . 1 68 68 ASP CA C 13 53.329 0.01 . 1 . . . . . 68 ASP CA . 52220 1 336 . 1 . 1 68 68 ASP CB C 13 42.501 0.03 . 1 . . . . . 68 ASP CB . 52220 1 337 . 1 . 1 68 68 ASP N N 15 125.496 0.03 . 1 . . . . . 68 ASP N . 52220 1 338 . 1 . 1 69 69 GLU H H 1 8.570 0.00 . 1 . . . . . 69 GLU H . 52220 1 339 . 1 . 1 69 69 GLU HA H 1 3.805 0.00 . 1 . . . . . 69 GLU HA . 52220 1 340 . 1 . 1 69 69 GLU C C 13 177.072 0.01 . 1 . . . . . 69 GLU C . 52220 1 341 . 1 . 1 69 69 GLU CA C 13 58.406 0.04 . 1 . . . . . 69 GLU CA . 52220 1 342 . 1 . 1 69 69 GLU CB C 13 29.636 0.01 . 1 . . . . . 69 GLU CB . 52220 1 343 . 1 . 1 69 69 GLU N N 15 124.342 0.03 . 1 . . . . . 69 GLU N . 52220 1 344 . 1 . 1 70 70 LYS H H 1 8.250 0.00 . 1 . . . . . 70 LYS H . 52220 1 345 . 1 . 1 70 70 LYS HA H 1 4.221 0.00 . 1 . . . . . 70 LYS HA . 52220 1 346 . 1 . 1 70 70 LYS C C 13 177.238 0.01 . 1 . . . . . 70 LYS C . 52220 1 347 . 1 . 1 70 70 LYS CA C 13 57.198 0.03 . 1 . . . . . 70 LYS CA . 52220 1 348 . 1 . 1 70 70 LYS CB C 13 32.535 0.01 . 1 . . . . . 70 LYS CB . 52220 1 349 . 1 . 1 70 70 LYS N N 15 117.344 0.01 . 1 . . . . . 70 LYS N . 52220 1 350 . 1 . 1 71 71 GLN H H 1 8.032 0.00 . 1 . . . . . 71 GLN H . 52220 1 351 . 1 . 1 71 71 GLN HA H 1 4.479 0.00 . 1 . . . . . 71 GLN HA . 52220 1 352 . 1 . 1 71 71 GLN HB2 H 1 2.095 0.00 . 1 . . . . . 71 GLN HB2 . 52220 1 353 . 1 . 1 71 71 GLN C C 13 175.389 0.01 . 1 . . . . . 71 GLN C . 52220 1 354 . 1 . 1 71 71 GLN CA C 13 55.186 0.04 . 1 . . . . . 71 GLN CA . 52220 1 355 . 1 . 1 71 71 GLN CB C 13 29.296 0.01 . 1 . . . . . 71 GLN CB . 52220 1 356 . 1 . 1 71 71 GLN N N 15 119.065 0.02 . 1 . . . . . 71 GLN N . 52220 1 357 . 1 . 1 72 72 GLN H H 1 8.178 0.00 . 1 . . . . . 72 GLN H . 52220 1 358 . 1 . 1 72 72 GLN CA C 13 57.334 0.01 . 1 . . . . . 72 GLN CA . 52220 1 359 . 1 . 1 72 72 GLN CB C 13 28.808 0.00 . 1 . . . . . 72 GLN CB . 52220 1 360 . 1 . 1 72 72 GLN N N 15 117.550 0.03 . 1 . . . . . 72 GLN N . 52220 1 361 . 1 . 1 74 74 ILE C C 13 174.484 0.00 . 1 . . . . . 74 ILE C . 52220 1 362 . 1 . 1 74 74 ILE CA C 13 59.062 0.00 . 1 . . . . . 74 ILE CA . 52220 1 363 . 1 . 1 75 75 VAL H H 1 8.449 0.00 . 1 . . . . . 75 VAL H . 52220 1 364 . 1 . 1 75 75 VAL C C 13 174.406 0.00 . 1 . . . . . 75 VAL C . 52220 1 365 . 1 . 1 75 75 VAL CA C 13 60.923 0.04 . 1 . . . . . 75 VAL CA . 52220 1 366 . 1 . 1 75 75 VAL N N 15 126.313 0.01 . 1 . . . . . 75 VAL N . 52220 1 367 . 1 . 1 76 76 TYR H H 1 8.338 0.00 . 1 . . . . . 76 TYR H . 52220 1 368 . 1 . 1 76 76 TYR C C 13 175.281 0.01 . 1 . . . . . 76 TYR C . 52220 1 369 . 1 . 1 76 76 TYR CA C 13 58.135 0.04 . 1 . . . . . 76 TYR CA . 52220 1 370 . 1 . 1 76 76 TYR CB C 13 38.578 0.02 . 1 . . . . . 76 TYR CB . 52220 1 371 . 1 . 1 76 76 TYR N N 15 126.293 0.02 . 1 . . . . . 76 TYR N . 52220 1 372 . 1 . 1 77 77 CYS H H 1 8.386 0.00 . 1 . . . . . 77 CYS H . 52220 1 373 . 1 . 1 77 77 CYS HA H 1 4.887 0.00 . 1 . . . . . 77 CYS HA . 52220 1 374 . 1 . 1 77 77 CYS C C 13 173.775 0.01 . 1 . . . . . 77 CYS C . 52220 1 375 . 1 . 1 77 77 CYS CA C 13 55.753 0.02 . 1 . . . . . 77 CYS CA . 52220 1 376 . 1 . 1 77 77 CYS CB C 13 29.574 0.01 . 1 . . . . . 77 CYS CB . 52220 1 377 . 1 . 1 77 77 CYS N N 15 117.603 0.01 . 1 . . . . . 77 CYS N . 52220 1 378 . 1 . 1 78 78 SER H H 1 7.771 0.00 . 1 . . . . . 78 SER H . 52220 1 379 . 1 . 1 78 78 SER HA H 1 4.292 0.00 . 1 . . . . . 78 SER HA . 52220 1 380 . 1 . 1 78 78 SER HB2 H 1 3.941 0.00 . 1 . . . . . 78 SER HB2 . 52220 1 381 . 1 . 1 78 78 SER C C 13 174.778 0.00 . 1 . . . . . 78 SER C . 52220 1 382 . 1 . 1 78 78 SER CA C 13 60.423 0.01 . 1 . . . . . 78 SER CA . 52220 1 383 . 1 . 1 78 78 SER CB C 13 63.295 0.02 . 1 . . . . . 78 SER CB . 52220 1 384 . 1 . 1 78 78 SER N N 15 116.926 0.01 . 1 . . . . . 78 SER N . 52220 1 385 . 1 . 1 79 79 ASN H H 1 8.750 0.00 . 1 . . . . . 79 ASN H . 52220 1 386 . 1 . 1 79 79 ASN HA H 1 4.749 0.00 . 1 . . . . . 79 ASN HA . 52220 1 387 . 1 . 1 79 79 ASN HB2 H 1 2.985 0.00 . 1 . . . . . 79 ASN HB2 . 52220 1 388 . 1 . 1 79 79 ASN HB3 H 1 2.761 0.00 . 1 . . . . . 79 ASN HB3 . 52220 1 389 . 1 . 1 79 79 ASN C C 13 173.000 0.00 . 1 . . . . . 79 ASN C . 52220 1 390 . 1 . 1 79 79 ASN CA C 13 53.251 0.01 . 1 . . . . . 79 ASN CA . 52220 1 391 . 1 . 1 79 79 ASN CB C 13 38.099 0.01 . 1 . . . . . 79 ASN CB . 52220 1 392 . 1 . 1 79 79 ASN N N 15 118.257 0.02 . 1 . . . . . 79 ASN N . 52220 1 393 . 1 . 1 80 80 ASP H H 1 7.682 0.00 . 1 . . . . . 80 ASP H . 52220 1 394 . 1 . 1 80 80 ASP HA H 1 4.892 0.00 . 1 . . . . . 80 ASP HA . 52220 1 395 . 1 . 1 80 80 ASP C C 13 175.210 0.00 . 1 . . . . . 80 ASP C . 52220 1 396 . 1 . 1 80 80 ASP CA C 13 53.174 0.01 . 1 . . . . . 80 ASP CA . 52220 1 397 . 1 . 1 80 80 ASP CB C 13 47.513 0.01 . 1 . . . . . 80 ASP CB . 52220 1 398 . 1 . 1 80 80 ASP N N 15 118.679 0.01 . 1 . . . . . 80 ASP N . 52220 1 399 . 1 . 1 81 81 LEU H H 1 8.570 0.00 . 1 . . . . . 81 LEU H . 52220 1 400 . 1 . 1 81 81 LEU HA H 1 4.227 0.00 . 1 . . . . . 81 LEU HA . 52220 1 401 . 1 . 1 81 81 LEU C C 13 178.186 0.00 . 1 . . . . . 81 LEU C . 52220 1 402 . 1 . 1 81 81 LEU CA C 13 58.096 0.04 . 1 . . . . . 81 LEU CA . 52220 1 403 . 1 . 1 81 81 LEU CB C 13 42.414 0.09 . 1 . . . . . 81 LEU CB . 52220 1 404 . 1 . 1 81 81 LEU N N 15 129.355 0.01 . 1 . . . . . 81 LEU N . 52220 1 405 . 1 . 1 82 82 LEU H H 1 9.961 0.00 . 1 . . . . . 82 LEU H . 52220 1 406 . 1 . 1 82 82 LEU C C 13 178.375 0.00 . 1 . . . . . 82 LEU C . 52220 1 407 . 1 . 1 82 82 LEU CA C 13 58.204 0.05 . 1 . . . . . 82 LEU CA . 52220 1 408 . 1 . 1 82 82 LEU N N 15 118.767 0.01 . 1 . . . . . 82 LEU N . 52220 1 409 . 1 . 1 83 83 GLY H H 1 7.784 0.00 . 1 . . . . . 83 GLY H . 52220 1 410 . 1 . 1 83 83 GLY HA2 H 1 4.127 0.00 . 1 . . . . . 83 GLY HA2 . 52220 1 411 . 1 . 1 83 83 GLY C C 13 177.227 0.00 . 1 . . . . . 83 GLY C . 52220 1 412 . 1 . 1 83 83 GLY CA C 13 47.957 0.02 . 1 . . . . . 83 GLY CA . 52220 1 413 . 1 . 1 83 83 GLY N N 15 106.123 0.01 . 1 . . . . . 83 GLY N . 52220 1 414 . 1 . 1 84 84 ASP H H 1 7.461 0.00 . 1 . . . . . 84 ASP H . 52220 1 415 . 1 . 1 84 84 ASP CA C 13 56.924 0.04 . 1 . . . . . 84 ASP CA . 52220 1 416 . 1 . 1 84 84 ASP CB C 13 40.211 0.00 . 1 . . . . . 84 ASP CB . 52220 1 417 . 1 . 1 84 84 ASP N N 15 122.941 0.01 . 1 . . . . . 84 ASP N . 52220 1 418 . 1 . 1 85 85 LEU HA H 1 4.101 0.00 . 1 . . . . . 85 LEU HA . 52220 1 419 . 1 . 1 85 85 LEU C C 13 179.119 0.00 . 1 . . . . . 85 LEU C . 52220 1 420 . 1 . 1 85 85 LEU CA C 13 57.312 0.02 . 1 . . . . . 85 LEU CA . 52220 1 421 . 1 . 1 85 85 LEU CB C 13 41.622 0.00 . 1 . . . . . 85 LEU CB . 52220 1 422 . 1 . 1 86 86 PHE H H 1 8.693 0.00 . 1 . . . . . 86 PHE H . 52220 1 423 . 1 . 1 86 86 PHE C C 13 176.624 0.00 . 1 . . . . . 86 PHE C . 52220 1 424 . 1 . 1 86 86 PHE CA C 13 56.111 0.02 . 1 . . . . . 86 PHE CA . 52220 1 425 . 1 . 1 86 86 PHE CB C 13 37.547 0.03 . 1 . . . . . 86 PHE CB . 52220 1 426 . 1 . 1 86 86 PHE N N 15 117.846 0.01 . 1 . . . . . 86 PHE N . 52220 1 427 . 1 . 1 87 87 GLY H H 1 8.227 0.00 . 1 . . . . . 87 GLY H . 52220 1 428 . 1 . 1 87 87 GLY HA2 H 1 3.961 0.00 . 1 . . . . . 87 GLY HA2 . 52220 1 429 . 1 . 1 87 87 GLY C C 13 174.198 0.15 . 1 . . . . . 87 GLY C . 52220 1 430 . 1 . 1 87 87 GLY CA C 13 46.300 0.01 . 1 . . . . . 87 GLY CA . 52220 1 431 . 1 . 1 87 87 GLY N N 15 107.991 0.01 . 1 . . . . . 87 GLY N . 52220 1 432 . 1 . 1 88 88 VAL H H 1 7.181 0.00 . 1 . . . . . 88 VAL H . 52220 1 433 . 1 . 1 88 88 VAL CA C 13 57.023 0.02 . 1 . . . . . 88 VAL CA . 52220 1 434 . 1 . 1 88 88 VAL CB C 13 34.982 0.00 . 1 . . . . . 88 VAL CB . 52220 1 435 . 1 . 1 88 88 VAL N N 15 108.649 0.00 . 1 . . . . . 88 VAL N . 52220 1 436 . 1 . 1 89 89 PRO HA H 1 4.450 0.00 . 1 . . . . . 89 PRO HA . 52220 1 437 . 1 . 1 89 89 PRO C C 13 176.580 0.00 . 1 . . . . . 89 PRO C . 52220 1 438 . 1 . 1 89 89 PRO CA C 13 63.157 0.02 . 1 . . . . . 89 PRO CA . 52220 1 439 . 1 . 1 89 89 PRO CB C 13 31.968 0.00 . 1 . . . . . 89 PRO CB . 52220 1 440 . 1 . 1 90 90 SER H H 1 7.219 0.00 . 1 . . . . . 90 SER H . 52220 1 441 . 1 . 1 90 90 SER C C 13 172.562 0.01 . 1 . . . . . 90 SER C . 52220 1 442 . 1 . 1 90 90 SER CA C 13 56.913 0.05 . 1 . . . . . 90 SER CA . 52220 1 443 . 1 . 1 90 90 SER CB C 13 64.727 0.00 . 1 . . . . . 90 SER CB . 52220 1 444 . 1 . 1 90 90 SER N N 15 110.709 0.01 . 1 . . . . . 90 SER N . 52220 1 445 . 1 . 1 91 91 PHE H H 1 8.151 0.00 . 1 . . . . . 91 PHE H . 52220 1 446 . 1 . 1 91 91 PHE C C 13 171.727 0.00 . 1 . . . . . 91 PHE C . 52220 1 447 . 1 . 1 91 91 PHE CA C 13 56.949 0.06 . 1 . . . . . 91 PHE CA . 52220 1 448 . 1 . 1 91 91 PHE CB C 13 39.486 0.01 . 1 . . . . . 91 PHE CB . 52220 1 449 . 1 . 1 91 91 PHE N N 15 113.504 0.01 . 1 . . . . . 91 PHE N . 52220 1 450 . 1 . 1 92 92 SER H H 1 8.839 0.00 . 1 . . . . . 92 SER H . 52220 1 451 . 1 . 1 92 92 SER C C 13 177.907 0.00 . 1 . . . . . 92 SER C . 52220 1 452 . 1 . 1 92 92 SER CA C 13 55.631 0.02 . 1 . . . . . 92 SER CA . 52220 1 453 . 1 . 1 92 92 SER N N 15 113.212 0.01 . 1 . . . . . 92 SER N . 52220 1 454 . 1 . 1 93 93 VAL H H 1 8.940 0.01 . 1 . . . . . 93 VAL H . 52220 1 455 . 1 . 1 93 93 VAL C C 13 173.915 0.00 . 1 . . . . . 93 VAL C . 52220 1 456 . 1 . 1 93 93 VAL CA C 13 63.569 0.01 . 1 . . . . . 93 VAL CA . 52220 1 457 . 1 . 1 93 93 VAL N N 15 121.332 0.00 . 1 . . . . . 93 VAL N . 52220 1 458 . 1 . 1 94 94 LYS H H 1 7.901 0.00 . 1 . . . . . 94 LYS H . 52220 1 459 . 1 . 1 94 94 LYS HA H 1 3.991 0.00 . 1 . . . . . 94 LYS HA . 52220 1 460 . 1 . 1 94 94 LYS C C 13 177.481 0.00 . 1 . . . . . 94 LYS C . 52220 1 461 . 1 . 1 94 94 LYS CA C 13 56.560 0.03 . 1 . . . . . 94 LYS CA . 52220 1 462 . 1 . 1 94 94 LYS N N 15 113.045 0.03 . 1 . . . . . 94 LYS N . 52220 1 463 . 1 . 1 95 95 GLU H H 1 7.200 0.00 . 1 . . . . . 95 GLU H . 52220 1 464 . 1 . 1 95 95 GLU C C 13 176.509 0.01 . 1 . . . . . 95 GLU C . 52220 1 465 . 1 . 1 95 95 GLU CA C 13 54.821 0.03 . 1 . . . . . 95 GLU CA . 52220 1 466 . 1 . 1 95 95 GLU N N 15 120.286 0.01 . 1 . . . . . 95 GLU N . 52220 1 467 . 1 . 1 96 96 HIS H H 1 7.876 0.01 . 1 . . . . . 96 HIS H . 52220 1 468 . 1 . 1 96 96 HIS C C 13 177.082 0.00 . 1 . . . . . 96 HIS C . 52220 1 469 . 1 . 1 96 96 HIS CA C 13 58.889 0.02 . 1 . . . . . 96 HIS CA . 52220 1 470 . 1 . 1 96 96 HIS CB C 13 31.343 0.00 . 1 . . . . . 96 HIS CB . 52220 1 471 . 1 . 1 96 96 HIS N N 15 121.717 0.05 . 1 . . . . . 96 HIS N . 52220 1 472 . 1 . 1 97 97 ARG H H 1 8.850 0.00 . 1 . . . . . 97 ARG H . 52220 1 473 . 1 . 1 97 97 ARG HA H 1 4.148 0.00 . 1 . . . . . 97 ARG HA . 52220 1 474 . 1 . 1 97 97 ARG C C 13 179.168 0.00 . 1 . . . . . 97 ARG C . 52220 1 475 . 1 . 1 97 97 ARG CA C 13 59.524 0.06 . 1 . . . . . 97 ARG CA . 52220 1 476 . 1 . 1 97 97 ARG CB C 13 30.474 1.98 . 1 . . . . . 97 ARG CB . 52220 1 477 . 1 . 1 97 97 ARG N N 15 118.595 0.04 . 1 . . . . . 97 ARG N . 52220 1 478 . 1 . 1 98 98 LYS H H 1 7.622 0.00 . 1 . . . . . 98 LYS H . 52220 1 479 . 1 . 1 98 98 LYS HA H 1 4.024 0.00 . 1 . . . . . 98 LYS HA . 52220 1 480 . 1 . 1 98 98 LYS C C 13 178.508 0.01 . 1 . . . . . 98 LYS C . 52220 1 481 . 1 . 1 98 98 LYS CA C 13 59.535 0.01 . 1 . . . . . 98 LYS CA . 52220 1 482 . 1 . 1 98 98 LYS N N 15 119.698 0.01 . 1 . . . . . 98 LYS N . 52220 1 483 . 1 . 1 99 99 ILE H H 1 7.762 0.01 . 1 . . . . . 99 ILE H . 52220 1 484 . 1 . 1 99 99 ILE CA C 13 66.233 0.02 . 1 . . . . . 99 ILE CA . 52220 1 485 . 1 . 1 99 99 ILE N N 15 120.623 0.02 . 1 . . . . . 99 ILE N . 52220 1 486 . 1 . 1 100 100 TYR C C 13 177.587 0.00 . 1 . . . . . 100 TYR C . 52220 1 487 . 1 . 1 100 100 TYR CA C 13 63.372 0.01 . 1 . . . . . 100 TYR CA . 52220 1 488 . 1 . 1 100 100 TYR CB C 13 37.608 0.00 . 1 . . . . . 100 TYR CB . 52220 1 489 . 1 . 1 101 101 THR H H 1 7.951 0.00 . 1 . . . . . 101 THR H . 52220 1 490 . 1 . 1 101 101 THR HA H 1 4.282 0.00 . 1 . . . . . 101 THR HA . 52220 1 491 . 1 . 1 101 101 THR C C 13 176.479 0.00 . 1 . . . . . 101 THR C . 52220 1 492 . 1 . 1 101 101 THR CA C 13 67.342 0.01 . 1 . . . . . 101 THR CA . 52220 1 493 . 1 . 1 101 101 THR CB C 13 68.730 0.00 . 1 . . . . . 101 THR CB . 52220 1 494 . 1 . 1 101 101 THR N N 15 114.126 0.01 . 1 . . . . . 101 THR N . 52220 1 495 . 1 . 1 102 102 MET H H 1 7.742 0.00 . 1 . . . . . 102 MET H . 52220 1 496 . 1 . 1 102 102 MET HA H 1 3.727 0.00 . 1 . . . . . 102 MET HA . 52220 1 497 . 1 . 1 102 102 MET C C 13 178.090 0.00 . 1 . . . . . 102 MET C . 52220 1 498 . 1 . 1 102 102 MET CA C 13 59.697 0.05 . 1 . . . . . 102 MET CA . 52220 1 499 . 1 . 1 102 102 MET N N 15 120.133 0.02 . 1 . . . . . 102 MET N . 52220 1 500 . 1 . 1 103 103 ILE H H 1 8.076 0.00 . 1 . . . . . 103 ILE H . 52220 1 501 . 1 . 1 103 103 ILE HA H 1 3.356 0.00 . 1 . . . . . 103 ILE HA . 52220 1 502 . 1 . 1 103 103 ILE C C 13 179.006 0.00 . 1 . . . . . 103 ILE C . 52220 1 503 . 1 . 1 103 103 ILE CA C 13 66.594 0.03 . 1 . . . . . 103 ILE CA . 52220 1 504 . 1 . 1 103 103 ILE N N 15 119.513 0.01 . 1 . . . . . 103 ILE N . 52220 1 505 . 1 . 1 104 104 TYR H H 1 8.905 0.00 . 1 . . . . . 104 TYR H . 52220 1 506 . 1 . 1 104 104 TYR HA H 1 4.067 0.00 . 1 . . . . . 104 TYR HA . 52220 1 507 . 1 . 1 104 104 TYR C C 13 177.906 0.01 . 1 . . . . . 104 TYR C . 52220 1 508 . 1 . 1 104 104 TYR CA C 13 61.922 0.03 . 1 . . . . . 104 TYR CA . 52220 1 509 . 1 . 1 104 104 TYR CB C 13 37.584 0.04 . 1 . . . . . 104 TYR CB . 52220 1 510 . 1 . 1 104 104 TYR N N 15 119.403 0.01 . 1 . . . . . 104 TYR N . 52220 1 511 . 1 . 1 105 105 ARG H H 1 7.055 0.00 . 1 . . . . . 105 ARG H . 52220 1 512 . 1 . 1 105 105 ARG HA H 1 4.350 0.00 . 1 . . . . . 105 ARG HA . 52220 1 513 . 1 . 1 105 105 ARG C C 13 176.709 0.00 . 1 . . . . . 105 ARG C . 52220 1 514 . 1 . 1 105 105 ARG CA C 13 58.563 0.02 . 1 . . . . . 105 ARG CA . 52220 1 515 . 1 . 1 105 105 ARG CB C 13 30.666 0.00 . 1 . . . . . 105 ARG CB . 52220 1 516 . 1 . 1 105 105 ARG N N 15 115.338 0.01 . 1 . . . . . 105 ARG N . 52220 1 517 . 1 . 1 106 106 ASN H H 1 8.431 0.00 . 1 . . . . . 106 ASN H . 52220 1 518 . 1 . 1 106 106 ASN HA H 1 4.889 0.00 . 1 . . . . . 106 ASN HA . 52220 1 519 . 1 . 1 106 106 ASN C C 13 172.000 0.00 . 1 . . . . . 106 ASN C . 52220 1 520 . 1 . 1 106 106 ASN CA C 13 54.067 0.04 . 1 . . . . . 106 ASN CA . 52220 1 521 . 1 . 1 106 106 ASN N N 15 115.995 0.01 . 1 . . . . . 106 ASN N . 52220 1 522 . 1 . 1 107 107 LEU H H 1 7.603 0.00 . 1 . . . . . 107 LEU H . 52220 1 523 . 1 . 1 107 107 LEU C C 13 174.363 0.00 . 1 . . . . . 107 LEU C . 52220 1 524 . 1 . 1 107 107 LEU CA C 13 54.123 0.03 . 1 . . . . . 107 LEU CA . 52220 1 525 . 1 . 1 107 107 LEU CB C 13 45.486 0.00 . 1 . . . . . 107 LEU CB . 52220 1 526 . 1 . 1 107 107 LEU N N 15 116.513 0.01 . 1 . . . . . 107 LEU N . 52220 1 527 . 1 . 1 108 108 VAL H H 1 8.190 0.00 . 1 . . . . . 108 VAL H . 52220 1 528 . 1 . 1 108 108 VAL CA C 13 61.363 0.01 . 1 . . . . . 108 VAL CA . 52220 1 529 . 1 . 1 108 108 VAL N N 15 118.364 0.01 . 1 . . . . . 108 VAL N . 52220 1 530 . 1 . 1 109 109 VAL H H 1 8.822 0.00 . 1 . . . . . 109 VAL H . 52220 1 531 . 1 . 1 109 109 VAL HA H 1 4.143 0.00 . 1 . . . . . 109 VAL HA . 52220 1 532 . 1 . 1 109 109 VAL C C 13 175.909 0.30 . 1 . . . . . 109 VAL C . 52220 1 533 . 1 . 1 109 109 VAL CA C 13 63.346 0.03 . 1 . . . . . 109 VAL CA . 52220 1 534 . 1 . 1 109 109 VAL CB C 13 32.330 0.00 . 1 . . . . . 109 VAL CB . 52220 1 535 . 1 . 1 109 109 VAL N N 15 127.871 0.01 . 1 . . . . . 109 VAL N . 52220 1 536 . 1 . 1 110 110 VAL H H 1 8.465 0.00 . 1 . . . . . 110 VAL H . 52220 1 537 . 1 . 1 110 110 VAL HA H 1 3.963 0.00 . 1 . . . . . 110 VAL HA . 52220 1 538 . 1 . 1 110 110 VAL HB H 1 1.943 0.00 . 1 . . . . . 110 VAL HB . 52220 1 539 . 1 . 1 110 110 VAL C C 13 175.528 0.00 . 1 . . . . . 110 VAL C . 52220 1 540 . 1 . 1 110 110 VAL CA C 13 63.002 0.05 . 1 . . . . . 110 VAL CA . 52220 1 541 . 1 . 1 110 110 VAL CB C 13 32.360 0.03 . 1 . . . . . 110 VAL CB . 52220 1 542 . 1 . 1 110 110 VAL N N 15 127.271 0.01 . 1 . . . . . 110 VAL N . 52220 1 543 . 1 . 1 111 111 ASN H H 1 8.620 0.00 . 1 . . . . . 111 ASN H . 52220 1 544 . 1 . 1 111 111 ASN HA H 1 4.734 0.00 . 1 . . . . . 111 ASN HA . 52220 1 545 . 1 . 1 111 111 ASN HB2 H 1 2.852 0.00 . 1 . . . . . 111 ASN HB2 . 52220 1 546 . 1 . 1 111 111 ASN HB3 H 1 2.773 0.00 . 1 . . . . . 111 ASN HB3 . 52220 1 547 . 1 . 1 111 111 ASN C C 13 175.072 0.00 . 1 . . . . . 111 ASN C . 52220 1 548 . 1 . 1 111 111 ASN CA C 13 53.117 0.02 . 1 . . . . . 111 ASN CA . 52220 1 549 . 1 . 1 111 111 ASN CB C 13 38.904 0.02 . 1 . . . . . 111 ASN CB . 52220 1 550 . 1 . 1 111 111 ASN N N 15 122.795 0.01 . 1 . . . . . 111 ASN N . 52220 1 551 . 1 . 1 112 112 GLN H H 1 8.524 0.00 . 1 . . . . . 112 GLN H . 52220 1 552 . 1 . 1 112 112 GLN HA H 1 4.280 0.00 . 1 . . . . . 112 GLN HA . 52220 1 553 . 1 . 1 112 112 GLN HB2 H 1 1.959 0.00 . 1 . . . . . 112 GLN HB2 . 52220 1 554 . 1 . 1 112 112 GLN HB3 H 1 2.117 0.00 . 1 . . . . . 112 GLN HB3 . 52220 1 555 . 1 . 1 112 112 GLN C C 13 175.876 0.01 . 1 . . . . . 112 GLN C . 52220 1 556 . 1 . 1 112 112 GLN CA C 13 56.314 0.01 . 1 . . . . . 112 GLN CA . 52220 1 557 . 1 . 1 112 112 GLN CB C 13 29.498 0.01 . 1 . . . . . 112 GLN CB . 52220 1 558 . 1 . 1 112 112 GLN N N 15 121.566 0.01 . 1 . . . . . 112 GLN N . 52220 1 559 . 1 . 1 113 113 GLN H H 1 8.488 0.00 . 1 . . . . . 113 GLN H . 52220 1 560 . 1 . 1 113 113 GLN HA H 1 4.297 0.00 . 1 . . . . . 113 GLN HA . 52220 1 561 . 1 . 1 113 113 GLN C C 13 176.022 0.00 . 1 . . . . . 113 GLN C . 52220 1 562 . 1 . 1 113 113 GLN CA C 13 56.113 0.03 . 1 . . . . . 113 GLN CA . 52220 1 563 . 1 . 1 113 113 GLN CB C 13 29.410 0.00 . 1 . . . . . 113 GLN CB . 52220 1 564 . 1 . 1 113 113 GLN N N 15 121.215 0.01 . 1 . . . . . 113 GLN N . 52220 1 565 . 1 . 1 114 114 GLU H H 1 8.462 0.00 . 1 . . . . . 114 GLU H . 52220 1 566 . 1 . 1 114 114 GLU HA H 1 4.292 0.00 . 1 . . . . . 114 GLU HA . 52220 1 567 . 1 . 1 114 114 GLU HB2 H 1 1.936 0.00 . 1 . . . . . 114 GLU HB2 . 52220 1 568 . 1 . 1 114 114 GLU HB3 H 1 2.054 0.00 . 1 . . . . . 114 GLU HB3 . 52220 1 569 . 1 . 1 114 114 GLU C C 13 176.549 0.00 . 1 . . . . . 114 GLU C . 52220 1 570 . 1 . 1 114 114 GLU CA C 13 56.701 0.04 . 1 . . . . . 114 GLU CA . 52220 1 571 . 1 . 1 114 114 GLU CB C 13 30.353 0.00 . 1 . . . . . 114 GLU CB . 52220 1 572 . 1 . 1 114 114 GLU N N 15 122.234 0.01 . 1 . . . . . 114 GLU N . 52220 1 573 . 1 . 1 115 115 SER H H 1 8.452 0.00 . 1 . . . . . 115 SER H . 52220 1 574 . 1 . 1 115 115 SER HA H 1 4.474 0.00 . 1 . . . . . 115 SER HA . 52220 1 575 . 1 . 1 115 115 SER HB2 H 1 3.864 0.00 . 1 . . . . . 115 SER HB2 . 52220 1 576 . 1 . 1 115 115 SER C C 13 174.751 0.01 . 1 . . . . . 115 SER C . 52220 1 577 . 1 . 1 115 115 SER CA C 13 58.280 0.04 . 1 . . . . . 115 SER CA . 52220 1 578 . 1 . 1 115 115 SER CB C 13 63.911 0.02 . 1 . . . . . 115 SER CB . 52220 1 579 . 1 . 1 115 115 SER N N 15 116.988 0.01 . 1 . . . . . 115 SER N . 52220 1 580 . 1 . 1 116 116 SER H H 1 8.492 0.00 . 1 . . . . . 116 SER H . 52220 1 581 . 1 . 1 116 116 SER HA H 1 4.462 0.00 . 1 . . . . . 116 SER HA . 52220 1 582 . 1 . 1 116 116 SER HB2 H 1 3.834 0.00 . 1 . . . . . 116 SER HB2 . 52220 1 583 . 1 . 1 116 116 SER HB3 H 1 3.906 0.00 . 1 . . . . . 116 SER HB3 . 52220 1 584 . 1 . 1 116 116 SER C C 13 174.385 0.00 . 1 . . . . . 116 SER C . 52220 1 585 . 1 . 1 116 116 SER CA C 13 58.520 0.03 . 1 . . . . . 116 SER CA . 52220 1 586 . 1 . 1 116 116 SER CB C 13 63.845 0.02 . 1 . . . . . 116 SER CB . 52220 1 587 . 1 . 1 116 116 SER N N 15 118.124 0.00 . 1 . . . . . 116 SER N . 52220 1 588 . 1 . 1 117 117 ASP H H 1 8.409 0.00 . 1 . . . . . 117 ASP H . 52220 1 589 . 1 . 1 117 117 ASP HA H 1 4.655 0.00 . 1 . . . . . 117 ASP HA . 52220 1 590 . 1 . 1 117 117 ASP HB2 H 1 2.677 0.00 . 1 . . . . . 117 ASP HB2 . 52220 1 591 . 1 . 1 117 117 ASP C C 13 176.486 0.01 . 1 . . . . . 117 ASP C . 52220 1 592 . 1 . 1 117 117 ASP CA C 13 54.387 0.03 . 1 . . . . . 117 ASP CA . 52220 1 593 . 1 . 1 117 117 ASP CB C 13 41.243 0.00 . 1 . . . . . 117 ASP CB . 52220 1 594 . 1 . 1 117 117 ASP N N 15 122.426 0.00 . 1 . . . . . 117 ASP N . 52220 1 595 . 1 . 1 118 118 SER H H 1 8.351 0.00 . 1 . . . . . 118 SER H . 52220 1 596 . 1 . 1 118 118 SER HA H 1 4.402 0.00 . 1 . . . . . 118 SER HA . 52220 1 597 . 1 . 1 118 118 SER HB2 H 1 3.928 0.00 . 1 . . . . . 118 SER HB2 . 52220 1 598 . 1 . 1 118 118 SER HB3 H 1 3.867 0.00 . 1 . . . . . 118 SER HB3 . 52220 1 599 . 1 . 1 118 118 SER CA C 13 58.892 0.01 . 1 . . . . . 118 SER CA . 52220 1 600 . 1 . 1 118 118 SER CB C 13 63.743 0.01 . 1 . . . . . 118 SER CB . 52220 1 601 . 1 . 1 118 118 SER N N 15 116.604 0.00 . 1 . . . . . 118 SER N . 52220 1 602 . 1 . 1 119 119 GLY H H 1 8.526 0.00 . 1 . . . . . 119 GLY H . 52220 1 603 . 1 . 1 119 119 GLY HA2 H 1 3.997 0.00 . 1 . . . . . 119 GLY HA2 . 52220 1 604 . 1 . 1 119 119 GLY CA C 13 45.547 0.01 . 1 . . . . . 119 GLY CA . 52220 1 605 . 1 . 1 119 119 GLY N N 15 110.876 0.00 . 1 . . . . . 119 GLY N . 52220 1 606 . 1 . 1 120 120 THR H H 1 8.066 0.00 . 1 . . . . . 120 THR H . 52220 1 607 . 1 . 1 120 120 THR HA H 1 4.366 0.00 . 1 . . . . . 120 THR HA . 52220 1 608 . 1 . 1 120 120 THR HB H 1 4.346 0.12 . 1 . . . . . 120 THR HB . 52220 1 609 . 1 . 1 120 120 THR C C 13 174.729 0.01 . 1 . . . . . 120 THR C . 52220 1 610 . 1 . 1 120 120 THR CA C 13 61.884 0.02 . 1 . . . . . 120 THR CA . 52220 1 611 . 1 . 1 120 120 THR CB C 13 69.816 0.01 . 1 . . . . . 120 THR CB . 52220 1 612 . 1 . 1 120 120 THR N N 15 113.424 0.01 . 1 . . . . . 120 THR N . 52220 1 613 . 1 . 1 121 121 SER H H 1 8.411 0.00 . 1 . . . . . 121 SER H . 52220 1 614 . 1 . 1 121 121 SER HA H 1 4.482 0.00 . 1 . . . . . 121 SER HA . 52220 1 615 . 1 . 1 121 121 SER HB2 H 1 3.853 0.00 . 1 . . . . . 121 SER HB2 . 52220 1 616 . 1 . 1 121 121 SER C C 13 174.675 0.01 . 1 . . . . . 121 SER C . 52220 1 617 . 1 . 1 121 121 SER CA C 13 58.417 0.03 . 1 . . . . . 121 SER CA . 52220 1 618 . 1 . 1 121 121 SER CB C 13 63.763 0.03 . 1 . . . . . 121 SER CB . 52220 1 619 . 1 . 1 121 121 SER N N 15 118.618 0.02 . 1 . . . . . 121 SER N . 52220 1 620 . 1 . 1 122 122 VAL H H 1 8.241 0.00 . 1 . . . . . 122 VAL H . 52220 1 621 . 1 . 1 122 122 VAL HA H 1 4.214 0.00 . 1 . . . . . 122 VAL HA . 52220 1 622 . 1 . 1 122 122 VAL C C 13 176.337 0.00 . 1 . . . . . 122 VAL C . 52220 1 623 . 1 . 1 122 122 VAL CA C 13 62.448 0.04 . 1 . . . . . 122 VAL CA . 52220 1 624 . 1 . 1 122 122 VAL CB C 13 32.599 0.00 . 1 . . . . . 122 VAL CB . 52220 1 625 . 1 . 1 122 122 VAL N N 15 121.663 0.01 . 1 . . . . . 122 VAL N . 52220 1 626 . 1 . 1 123 123 SER H H 1 8.365 0.00 . 1 . . . . . 123 SER H . 52220 1 627 . 1 . 1 123 123 SER HA H 1 4.394 0.00 . 1 . . . . . 123 SER HA . 52220 1 628 . 1 . 1 123 123 SER HB3 H 1 3.821 0.00 . 1 . . . . . 123 SER HB3 . 52220 1 629 . 1 . 1 123 123 SER C C 13 174.689 0.01 . 1 . . . . . 123 SER C . 52220 1 630 . 1 . 1 123 123 SER CA C 13 58.906 1.05 . 1 . . . . . 123 SER CA . 52220 1 631 . 1 . 1 123 123 SER CB C 13 63.786 0.02 . 1 . . . . . 123 SER CB . 52220 1 632 . 1 . 1 123 123 SER N N 15 119.065 0.02 . 1 . . . . . 123 SER N . 52220 1 633 . 1 . 1 124 124 GLU H H 1 8.450 0.01 . 1 . . . . . 124 GLU H . 52220 1 634 . 1 . 1 124 124 GLU C C 13 176.109 0.00 . 1 . . . . . 124 GLU C . 52220 1 635 . 1 . 1 124 124 GLU CA C 13 56.762 0.03 . 1 . . . . . 124 GLU CA . 52220 1 636 . 1 . 1 124 124 GLU CB C 13 30.166 0.00 . 1 . . . . . 124 GLU CB . 52220 1 637 . 1 . 1 124 124 GLU N N 15 122.522 1.10 . 1 . . . . . 124 GLU N . 52220 1 stop_ save_