################################### # 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 53993 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_clean _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 1 '2D 1H-15N HSQC' . . . 53993 1 2 '3D HNCO' . . . 53993 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 1 $software_1 . . 53993 1 2 $software_2 . . 53993 1 3 $software_3 . . 53993 1 4 $software_4 . . 53993 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 2 2 ILE C C 13 175.693 0.000 . 1 . . . . . 297 I C . 53993 1 2 . 1 . 1 3 3 LYS H H 1 8.573 0.004 . 1 . . . . . 298 K H . 53993 1 3 . 1 . 1 3 3 LYS C C 13 175.866 0.000 . 1 . . . . . 298 K C . 53993 1 4 . 1 . 1 3 3 LYS N N 15 126.860 0.020 . 1 . . . . . 298 K N . 53993 1 5 . 1 . 1 4 4 HIS H H 1 8.566 0.004 . 1 . . . . . 299 H H . 53993 1 6 . 1 . 1 4 4 HIS C C 13 174.846 0.000 . 1 . . . . . 299 H C . 53993 1 7 . 1 . 1 4 4 HIS N N 15 123.362 0.026 . 1 . . . . . 299 H N . 53993 1 8 . 1 . 1 5 5 VAL H H 1 8.284 0.002 . 1 . . . . . 300 V H . 53993 1 9 . 1 . 1 5 5 VAL N N 15 124.771 0.039 . 1 . . . . . 300 V N . 53993 1 10 . 1 . 1 6 6 PRO C C 13 177.732 0.000 . 1 . . . . . 301 P C . 53993 1 11 . 1 . 1 7 7 GLY H H 1 8.782 0.003 . 1 . . . . . 302 G H . 53993 1 12 . 1 . 1 7 7 GLY C C 13 174.971 0.000 . 1 . . . . . 302 G C . 53993 1 13 . 1 . 1 7 7 GLY N N 15 110.849 0.001 . 1 . . . . . 302 G N . 53993 1 14 . 1 . 1 8 8 GLY H H 1 8.448 0.003 . 1 . . . . . 303 G H . 53993 1 15 . 1 . 1 8 8 GLY C C 13 175.024 0.000 . 1 . . . . . 303 G C . 53993 1 16 . 1 . 1 8 8 GLY N N 15 108.918 0.013 . 1 . . . . . 303 G N . 53993 1 17 . 1 . 1 9 9 GLY H H 1 8.486 0.001 . 1 . . . . . 304 G H . 53993 1 18 . 1 . 1 9 9 GLY C C 13 174.155 0.000 . 1 . . . . . 304 G C . 53993 1 19 . 1 . 1 9 9 GLY N N 15 109.006 0.007 . 1 . . . . . 304 G N . 53993 1 20 . 1 . 1 10 10 SER H H 1 8.365 0.003 . 1 . . . . . 305 S H . 53993 1 21 . 1 . 1 10 10 SER C C 13 174.556 0.000 . 1 . . . . . 305 S C . 53993 1 22 . 1 . 1 10 10 SER N N 15 115.832 0.004 . 1 . . . . . 305 S N . 53993 1 23 . 1 . 1 11 11 VAL H H 1 8.326 0.003 . 1 . . . . . 306 V H . 53993 1 24 . 1 . 1 11 11 VAL C C 13 175.992 0.000 . 1 . . . . . 306 V C . 53993 1 25 . 1 . 1 11 11 VAL N N 15 122.196 0.078 . 1 . . . . . 306 V N . 53993 1 26 . 1 . 1 12 12 GLN H H 1 8.590 0.003 . 1 . . . . . 307 Q H . 53993 1 27 . 1 . 1 12 12 GLN C C 13 175.642 0.000 . 1 . . . . . 307 Q C . 53993 1 28 . 1 . 1 12 12 GLN N N 15 125.346 0.018 . 1 . . . . . 307 Q N . 53993 1 29 . 1 . 1 13 13 ILE H H 1 8.381 0.000 . 1 . . . . . 308 I H . 53993 1 30 . 1 . 1 13 13 ILE C C 13 175.050 0.000 . 1 . . . . . 308 I C . 53993 1 31 . 1 . 1 13 13 ILE N N 15 124.203 0.183 . 1 . . . . . 308 I N . 53993 1 32 . 1 . 1 14 14 VAL H H 1 8.304 0.004 . 1 . . . . . 309 V H . 53993 1 33 . 1 . 1 14 14 VAL C C 13 175.495 0.000 . 1 . . . . . 309 V C . 53993 1 34 . 1 . 1 14 14 VAL N N 15 125.338 0.036 . 1 . . . . . 309 V N . 53993 1 35 . 1 . 1 15 15 TYR H H 1 8.620 0.002 . 1 . . . . . 310 Y H . 53993 1 36 . 1 . 1 15 15 TYR C C 13 175.780 0.000 . 1 . . . . . 310 Y C . 53993 1 37 . 1 . 1 15 15 TYR N N 15 126.809 0.017 . 1 . . . . . 310 Y N . 53993 1 38 . 1 . 1 16 16 LYS H H 1 8.363 0.002 . 1 . . . . . 311 K H . 53993 1 39 . 1 . 1 16 16 LYS N N 15 126.460 0.026 . 1 . . . . . 311 K N . 53993 1 40 . 1 . 1 17 17 PRO C C 13 176.848 0.000 . 1 . . . . . 312 P C . 53993 1 41 . 1 . 1 18 18 VAL H H 1 8.295 0.004 . 1 . . . . . 313 V H . 53993 1 42 . 1 . 1 18 18 VAL C C 13 175.657 0.000 . 1 . . . . . 313 V C . 53993 1 43 . 1 . 1 18 18 VAL N N 15 121.036 0.016 . 1 . . . . . 313 V N . 53993 1 44 . 1 . 1 19 19 ASP H H 1 8.535 0.003 . 1 . . . . . 314 D H . 53993 1 45 . 1 . 1 19 19 ASP C C 13 176.744 0.000 . 1 . . . . . 314 D C . 53993 1 46 . 1 . 1 19 19 ASP N N 15 124.811 0.017 . 1 . . . . . 314 D N . 53993 1 47 . 1 . 1 20 20 LEU H H 1 8.715 0.002 . 1 . . . . . 315 L H . 53993 1 48 . 1 . 1 20 20 LEU C C 13 178.145 0.000 . 1 . . . . . 315 L C . 53993 1 49 . 1 . 1 20 20 LEU N N 15 125.922 0.009 . 1 . . . . . 315 L N . 53993 1 50 . 1 . 1 21 21 SER H H 1 8.526 0.004 . 1 . . . . . 316 S H . 53993 1 51 . 1 . 1 21 21 SER C C 13 175.050 0.000 . 1 . . . . . 316 S C . 53993 1 52 . 1 . 1 21 21 SER N N 15 116.374 0.017 . 1 . . . . . 316 S N . 53993 1 53 . 1 . 1 22 22 LYS H H 1 8.043 0.003 . 1 . . . . . 317 K H . 53993 1 54 . 1 . 1 22 22 LYS C C 13 176.712 0.000 . 1 . . . . . 317 K C . 53993 1 55 . 1 . 1 22 22 LYS N N 15 122.154 0.009 . 1 . . . . . 317 K N . 53993 1 56 . 1 . 1 23 23 VAL H H 1 8.009 0.003 . 1 . . . . . 318 V H . 53993 1 57 . 1 . 1 23 23 VAL C C 13 176.628 0.000 . 1 . . . . . 318 V C . 53993 1 58 . 1 . 1 23 23 VAL N N 15 121.214 0.027 . 1 . . . . . 318 V N . 53993 1 59 . 1 . 1 24 24 THR H H 1 8.381 0.003 . 1 . . . . . 319 T H . 53993 1 60 . 1 . 1 24 24 THR C C 13 175.940 0.000 . 1 . . . . . 319 T C . 53993 1 61 . 1 . 1 24 24 THR N N 15 118.124 0.024 . 1 . . . . . 319 T N . 53993 1 62 . 1 . 1 25 25 SER H H 1 8.384 0.004 . 1 . . . . . 320 S H . 53993 1 63 . 1 . 1 25 25 SER C C 13 174.707 0.000 . 1 . . . . . 320 S C . 53993 1 64 . 1 . 1 25 25 SER N N 15 118.746 0.002 . 1 . . . . . 320 S N . 53993 1 65 . 1 . 1 26 26 LYS H H 1 8.582 0.002 . 1 . . . . . 321 K H . 53993 1 66 . 1 . 1 26 26 LYS C C 13 176.111 0.000 . 1 . . . . . 321 K C . 53993 1 67 . 1 . 1 26 26 LYS N N 15 123.631 0.008 . 1 . . . . . 321 K N . 53993 1 68 . 1 . 1 27 27 CYS H H 1 8.454 0.005 . 1 . . . . . 322 C H . 53993 1 69 . 1 . 1 27 27 CYS C C 13 175.376 0.000 . 1 . . . . . 322 C C . 53993 1 70 . 1 . 1 27 27 CYS N N 15 120.227 0.013 . 1 . . . . . 322 C N . 53993 1 71 . 1 . 1 28 28 GLY H H 1 8.606 0.003 . 1 . . . . . 323 G H . 53993 1 72 . 1 . 1 28 28 GLY C C 13 176.615 0.000 . 1 . . . . . 323 G C . 53993 1 73 . 1 . 1 28 28 GLY N N 15 111.165 0.007 . 1 . . . . . 323 G N . 53993 1 74 . 1 . 1 29 29 SER H H 1 8.384 0.003 . 1 . . . . . 324 S H . 53993 1 75 . 1 . 1 29 29 SER C C 13 176.186 0.000 . 1 . . . . . 324 S C . 53993 1 76 . 1 . 1 29 29 SER N N 15 116.197 0.005 . 1 . . . . . 324 S N . 53993 1 77 . 1 . 1 30 30 LEU H H 1 8.520 0.002 . 1 . . . . . 325 L H . 53993 1 78 . 1 . 1 30 30 LEU C C 13 178.015 0.000 . 1 . . . . . 325 L C . 53993 1 79 . 1 . 1 30 30 LEU N N 15 124.099 0.008 . 1 . . . . . 325 L N . 53993 1 80 . 1 . 1 31 31 GLY H H 1 8.438 0.001 . 1 . . . . . 326 G H . 53993 1 81 . 1 . 1 31 31 GLY C C 13 176.493 0.000 . 1 . . . . . 326 G C . 53993 1 82 . 1 . 1 31 31 GLY N N 15 108.959 0.006 . 1 . . . . . 326 G N . 53993 1 83 . 1 . 1 32 32 ASN H H 1 8.375 0.002 . 1 . . . . . 327 N H . 53993 1 84 . 1 . 1 32 32 ASN C C 13 175.428 0.000 . 1 . . . . . 327 N C . 53993 1 85 . 1 . 1 32 32 ASN N N 15 118.936 0.028 . 1 . . . . . 327 N N . 53993 1 86 . 1 . 1 33 33 ILE H H 1 8.132 0.003 . 1 . . . . . 328 I H . 53993 1 87 . 1 . 1 33 33 ILE C C 13 175.913 0.000 . 1 . . . . . 328 I C . 53993 1 88 . 1 . 1 33 33 ILE N N 15 120.802 0.010 . 1 . . . . . 328 I N . 53993 1 89 . 1 . 1 34 34 HIS H H 1 8.419 0.004 . 1 . . . . . 329 H H . 53993 1 90 . 1 . 1 34 34 HIS C C 13 176.893 0.000 . 1 . . . . . 329 H C . 53993 1 91 . 1 . 1 34 34 HIS N N 15 123.272 0.017 . 1 . . . . . 329 H N . 53993 1 92 . 1 . 1 35 35 HIS H H 1 8.340 0.003 . 1 . . . . . 330 H H . 53993 1 93 . 1 . 1 35 35 HIS C C 13 175.600 0.000 . 1 . . . . . 330 H C . 53993 1 94 . 1 . 1 35 35 HIS N N 15 121.140 0.021 . 1 . . . . . 330 H N . 53993 1 95 . 1 . 1 36 36 LYS H H 1 8.446 0.002 . 1 . . . . . 331 K H . 53993 1 96 . 1 . 1 36 36 LYS N N 15 124.874 0.014 . 1 . . . . . 331 K N . 53993 1 97 . 1 . 1 37 37 PRO C C 13 177.734 0.000 . 1 . . . . . 332 P C . 53993 1 98 . 1 . 1 38 38 GLY H H 1 8.785 0.001 . 1 . . . . . 333 G H . 53993 1 99 . 1 . 1 38 38 GLY C C 13 174.889 0.000 . 1 . . . . . 333 G C . 53993 1 100 . 1 . 1 38 38 GLY N N 15 110.855 0.020 . 1 . . . . . 333 G N . 53993 1 101 . 1 . 1 39 39 GLY H H 1 8.485 0.005 . 1 . . . . . 334 G H . 53993 1 102 . 1 . 1 39 39 GLY C C 13 174.869 0.000 . 1 . . . . . 334 G C . 53993 1 103 . 1 . 1 39 39 GLY N N 15 109.044 0.019 . 1 . . . . . 334 G N . 53993 1 104 . 1 . 1 40 40 GLY H H 1 8.488 0.003 . 1 . . . . . 335 G H . 53993 1 105 . 1 . 1 40 40 GLY C C 13 174.045 0.000 . 1 . . . . . 335 G C . 53993 1 106 . 1 . 1 40 40 GLY N N 15 108.997 0.001 . 1 . . . . . 335 G N . 53993 1 107 . 1 . 1 41 41 GLN H H 1 8.392 0.003 . 1 . . . . . 336 Q H . 53993 1 108 . 1 . 1 41 41 GLN C C 13 176.028 0.000 . 1 . . . . . 336 Q C . 53993 1 109 . 1 . 1 41 41 GLN N N 15 120.073 0.002 . 1 . . . . . 336 Q N . 53993 1 110 . 1 . 1 42 42 VAL H H 1 8.370 0.003 . 1 . . . . . 337 V H . 53993 1 111 . 1 . 1 42 42 VAL C C 13 176.021 0.000 . 1 . . . . . 337 V C . 53993 1 112 . 1 . 1 42 42 VAL N N 15 122.316 0.013 . 1 . . . . . 337 V N . 53993 1 113 . 1 . 1 43 43 GLU H H 1 8.652 0.003 . 1 . . . . . 338 E H . 53993 1 114 . 1 . 1 43 43 GLU C C 13 176.542 0.000 . 1 . . . . . 338 E C . 53993 1 115 . 1 . 1 43 43 GLU N N 15 126.053 0.017 . 1 . . . . . 338 E N . 53993 1 116 . 1 . 1 44 44 VAL H H 1 8.442 0.003 . 1 . . . . . 339 V H . 53993 1 117 . 1 . 1 44 44 VAL C C 13 176.173 0.000 . 1 . . . . . 339 V C . 53993 1 118 . 1 . 1 44 44 VAL N N 15 123.709 0.014 . 1 . . . . . 339 V N . 53993 1 119 . 1 . 1 45 45 LYS H H 1 8.658 0.003 . 1 . . . . . 340 K H . 53993 1 120 . 1 . 1 45 45 LYS C C 13 176.507 0.000 . 1 . . . . . 340 K C . 53993 1 121 . 1 . 1 45 45 LYS N N 15 126.867 0.013 . 1 . . . . . 340 K N . 53993 1 122 . 1 . 1 46 46 SER H H 1 8.540 0.002 . 1 . . . . . 341 S H . 53993 1 123 . 1 . 1 46 46 SER C C 13 174.590 0.000 . 1 . . . . . 341 S C . 53993 1 124 . 1 . 1 46 46 SER N N 15 118.128 0.024 . 1 . . . . . 341 S N . 53993 1 125 . 1 . 1 47 47 GLU H H 1 8.667 0.003 . 1 . . . . . 342 E H . 53993 1 126 . 1 . 1 47 47 GLU C C 13 176.355 0.000 . 1 . . . . . 342 E C . 53993 1 127 . 1 . 1 47 47 GLU N N 15 123.766 0.002 . 1 . . . . . 342 E N . 53993 1 128 . 1 . 1 48 48 LYS H H 1 8.465 0.003 . 1 . . . . . 343 K H . 53993 1 129 . 1 . 1 48 48 LYS C C 13 176.525 0.000 . 1 . . . . . 343 K C . 53993 1 130 . 1 . 1 48 48 LYS N N 15 122.684 0.011 . 1 . . . . . 343 K N . 53993 1 131 . 1 . 1 49 49 LEU H H 1 8.381 0.003 . 1 . . . . . 344 L H . 53993 1 132 . 1 . 1 49 49 LEU C C 13 176.889 0.000 . 1 . . . . . 344 L C . 53993 1 133 . 1 . 1 49 49 LEU N N 15 123.909 0.005 . 1 . . . . . 344 L N . 53993 1 134 . 1 . 1 50 50 ASP H H 1 8.445 0.003 . 1 . . . . . 345 D H . 53993 1 135 . 1 . 1 50 50 ASP C C 13 176.132 0.000 . 1 . . . . . 345 D C . 53993 1 136 . 1 . 1 50 50 ASP N N 15 121.529 0.021 . 1 . . . . . 345 D N . 53993 1 137 . 1 . 1 51 51 PHE H H 1 8.333 0.003 . 1 . . . . . 346 F H . 53993 1 138 . 1 . 1 51 51 PHE C C 13 175.348 0.000 . 1 . . . . . 346 F C . 53993 1 139 . 1 . 1 51 51 PHE N N 15 121.532 0.005 . 1 . . . . . 346 F N . 53993 1 140 . 1 . 1 52 52 LYS H H 1 8.329 0.007 . 1 . . . . . 347 K H . 53993 1 141 . 1 . 1 52 52 LYS C C 13 176.345 0.000 . 1 . . . . . 347 K C . 53993 1 142 . 1 . 1 52 52 LYS N N 15 122.249 0.030 . 1 . . . . . 347 K N . 53993 1 143 . 1 . 1 53 53 ASP H H 1 8.254 0.004 . 1 . . . . . 348 D H . 53993 1 144 . 1 . 1 53 53 ASP C C 13 176.182 0.000 . 1 . . . . . 348 D C . 53993 1 145 . 1 . 1 53 53 ASP N N 15 120.344 0.016 . 1 . . . . . 348 D N . 53993 1 146 . 1 . 1 54 54 ARG H H 1 8.132 0.004 . 1 . . . . . 349 R H . 53993 1 147 . 1 . 1 54 54 ARG C C 13 174.991 0.000 . 1 . . . . . 349 R C . 53993 1 148 . 1 . 1 54 54 ARG N N 15 121.151 0.005 . 1 . . . . . 349 R N . 53993 1 149 . 1 . 1 55 55 VAL H H 1 8.238 0.006 . 1 . . . . . 350 V H . 53993 1 150 . 1 . 1 55 55 VAL C C 13 176.483 0.000 . 1 . . . . . 350 V C . 53993 1 151 . 1 . 1 55 55 VAL N N 15 121.816 0.024 . 1 . . . . . 350 V N . 53993 1 152 . 1 . 1 56 56 GLN H H 1 8.643 0.002 . 1 . . . . . 351 Q H . 53993 1 153 . 1 . 1 56 56 GLN C C 13 176.101 0.000 . 1 . . . . . 351 Q C . 53993 1 154 . 1 . 1 56 56 GLN N N 15 124.850 0.017 . 1 . . . . . 351 Q N . 53993 1 155 . 1 . 1 57 57 SER H H 1 8.498 0.002 . 1 . . . . . 352 S H . 53993 1 156 . 1 . 1 57 57 SER C C 13 174.535 0.000 . 1 . . . . . 352 S C . 53993 1 157 . 1 . 1 57 57 SER N N 15 117.989 0.012 . 1 . . . . . 352 S N . 53993 1 158 . 1 . 1 58 58 LYS H H 1 8.523 0.004 . 1 . . . . . 353 K H . 53993 1 159 . 1 . 1 58 58 LYS C C 13 176.501 0.000 . 1 . . . . . 353 K C . 53993 1 160 . 1 . 1 58 58 LYS N N 15 123.741 0.007 . 1 . . . . . 353 K N . 53993 1 161 . 1 . 1 59 59 ILE H H 1 8.311 0.002 . 1 . . . . . 354 I H . 53993 1 162 . 1 . 1 59 59 ILE C C 13 176.969 0.000 . 1 . . . . . 354 I C . 53993 1 163 . 1 . 1 59 59 ILE N N 15 122.181 0.035 . 1 . . . . . 354 I N . 53993 1 164 . 1 . 1 60 60 GLY H H 1 8.675 0.003 . 1 . . . . . 355 G H . 53993 1 165 . 1 . 1 60 60 GLY C C 13 174.191 0.000 . 1 . . . . . 355 G C . 53993 1 166 . 1 . 1 60 60 GLY N N 15 113.918 0.021 . 1 . . . . . 355 G N . 53993 1 167 . 1 . 1 61 61 SER H H 1 8.279 0.004 . 1 . . . . . 356 S H . 53993 1 168 . 1 . 1 61 61 SER C C 13 175.024 0.000 . 1 . . . . . 356 S C . 53993 1 169 . 1 . 1 61 61 SER N N 15 115.753 0.004 . 1 . . . . . 356 S N . 53993 1 170 . 1 . 1 62 62 LEU H H 1 8.553 0.003 . 1 . . . . . 357 L H . 53993 1 171 . 1 . 1 62 62 LEU C C 13 177.329 0.000 . 1 . . . . . 357 L C . 53993 1 172 . 1 . 1 62 62 LEU N N 15 124.229 0.003 . 1 . . . . . 357 L N . 53993 1 173 . 1 . 1 63 63 ASP H H 1 8.293 0.004 . 1 . . . . . 358 D H . 53993 1 174 . 1 . 1 63 63 ASP C C 13 173.771 0.000 . 1 . . . . . 358 D C . 53993 1 175 . 1 . 1 63 63 ASP N N 15 120.399 0.017 . 1 . . . . . 358 D N . 53993 1 176 . 1 . 1 64 64 ASN H H 1 8.360 0.002 . 1 . . . . . 359 N H . 53993 1 177 . 1 . 1 64 64 ASN C C 13 175.159 0.000 . 1 . . . . . 359 N C . 53993 1 178 . 1 . 1 64 64 ASN N N 15 118.810 0.004 . 1 . . . . . 359 N N . 53993 1 179 . 1 . 1 65 65 ILE H H 1 8.173 0.003 . 1 . . . . . 360 I H . 53993 1 180 . 1 . 1 65 65 ILE C C 13 176.539 0.000 . 1 . . . . . 360 I C . 53993 1 181 . 1 . 1 65 65 ILE N N 15 121.084 0.013 . 1 . . . . . 360 I N . 53993 1 182 . 1 . 1 66 66 THR H H 1 8.372 0.002 . 1 . . . . . 361 T H . 53993 1 183 . 1 . 1 66 66 THR C C 13 174.089 0.000 . 1 . . . . . 361 T C . 53993 1 184 . 1 . 1 66 66 THR N N 15 118.363 0.022 . 1 . . . . . 361 T N . 53993 1 185 . 1 . 1 67 67 HIS H H 1 8.473 0.002 . 1 . . . . . 362 H H . 53993 1 186 . 1 . 1 67 67 HIS C C 13 173.732 0.000 . 1 . . . . . 362 H C . 53993 1 187 . 1 . 1 67 67 HIS N N 15 123.613 0.038 . 1 . . . . . 362 H N . 53993 1 188 . 1 . 1 68 68 VAL H H 1 8.268 0.005 . 1 . . . . . 363 V H . 53993 1 189 . 1 . 1 68 68 VAL N N 15 124.386 0.000 . 1 . . . . . 363 V N . 53993 1 190 . 1 . 1 69 69 PRO C C 13 177.737 0.000 . 1 . . . . . 364 P C . 53993 1 191 . 1 . 1 70 70 GLY H H 1 8.758 0.002 . 1 . . . . . 365 G H . 53993 1 192 . 1 . 1 70 70 GLY C C 13 174.738 0.000 . 1 . . . . . 365 G C . 53993 1 193 . 1 . 1 70 70 GLY N N 15 110.511 0.012 . 1 . . . . . 365 G N . 53993 1 194 . 1 . 1 71 71 GLY H H 1 8.503 0.019 . 1 . . . . . 366 G H . 53993 1 195 . 1 . 1 71 71 GLY C C 13 174.560 0.000 . 1 . . . . . 366 G C . 53993 1 196 . 1 . 1 71 71 GLY N N 15 109.037 0.039 . 1 . . . . . 366 G N . 53993 1 197 . 1 . 1 72 72 GLY H H 1 8.489 0.005 . 1 . . . . . 367 G H . 53993 1 198 . 1 . 1 72 72 GLY C C 13 173.976 0.000 . 1 . . . . . 367 G C . 53993 1 199 . 1 . 1 72 72 GLY N N 15 108.977 0.021 . 1 . . . . . 367 G N . 53993 1 200 . 1 . 1 73 73 ASN H H 1 8.468 0.004 . 1 . . . . . 368 N H . 53993 1 201 . 1 . 1 73 73 ASN C C 13 175.331 0.000 . 1 . . . . . 368 N C . 53993 1 202 . 1 . 1 73 73 ASN N N 15 118.685 0.002 . 1 . . . . . 368 N N . 53993 1 203 . 1 . 1 74 74 LYS H H 1 8.424 0.003 . 1 . . . . . 369 K H . 53993 1 204 . 1 . 1 74 74 LYS C C 13 176.514 0.000 . 1 . . . . . 369 K C . 53993 1 205 . 1 . 1 74 74 LYS N N 15 122.178 0.010 . 1 . . . . . 369 K N . 53993 1 206 . 1 . 1 75 75 LYS H H 1 8.482 0.004 . 1 . . . . . 370 K H . 53993 1 207 . 1 . 1 75 75 LYS C C 13 175.070 0.000 . 1 . . . . . 370 K C . 53993 1 208 . 1 . 1 75 75 LYS N N 15 123.683 0.011 . 1 . . . . . 370 K N . 53993 1 209 . 1 . 1 76 76 ILE H H 1 8.341 0.005 . 1 . . . . . 371 I H . 53993 1 210 . 1 . 1 76 76 ILE C C 13 176.327 0.000 . 1 . . . . . 371 I C . 53993 1 211 . 1 . 1 76 76 ILE N N 15 123.537 0.001 . 1 . . . . . 371 I N . 53993 1 212 . 1 . 1 77 77 GLU H H 1 8.691 0.003 . 1 . . . . . 372 E H . 53993 1 213 . 1 . 1 77 77 GLU C C 13 175.730 0.000 . 1 . . . . . 372 E C . 53993 1 214 . 1 . 1 77 77 GLU N N 15 126.352 0.019 . 1 . . . . . 372 E N . 53993 1 215 . 1 . 1 78 78 THR H H 1 8.344 0.004 . 1 . . . . . 373 T H . 53993 1 216 . 1 . 1 78 78 THR C C 13 174.541 0.000 . 1 . . . . . 373 T C . 53993 1 217 . 1 . 1 78 78 THR N N 15 115.838 0.015 . 1 . . . . . 373 T N . 53993 1 218 . 1 . 1 79 79 HIS H H 1 8.474 0.005 . 1 . . . . . 374 H H . 53993 1 219 . 1 . 1 79 79 HIS C C 13 176.744 0.000 . 1 . . . . . 374 H C . 53993 1 220 . 1 . 1 79 79 HIS N N 15 122.167 0.016 . 1 . . . . . 374 H N . 53993 1 221 . 1 . 1 80 80 LYS H H 1 8.303 0.002 . 1 . . . . . 375 K H . 53993 1 222 . 1 . 1 80 80 LYS C C 13 176.816 0.000 . 1 . . . . . 375 K C . 53993 1 223 . 1 . 1 80 80 LYS N N 15 122.803 0.024 . 1 . . . . . 375 K N . 53993 1 224 . 1 . 1 81 81 LEU H H 1 8.433 0.001 . 1 . . . . . 376 L H . 53993 1 225 . 1 . 1 81 81 LEU C C 13 177.555 0.000 . 1 . . . . . 376 L C . 53993 1 226 . 1 . 1 81 81 LEU N N 15 123.653 0.082 . 1 . . . . . 376 L N . 53993 1 227 . 1 . 1 82 82 THR H H 1 8.190 0.003 . 1 . . . . . 377 T H . 53993 1 228 . 1 . 1 82 82 THR C C 13 174.184 0.000 . 1 . . . . . 377 T C . 53993 1 229 . 1 . 1 82 82 THR N N 15 115.031 0.018 . 1 . . . . . 377 T N . 53993 1 230 . 1 . 1 83 83 PHE H H 1 8.416 0.003 . 1 . . . . . 378 F H . 53993 1 231 . 1 . 1 83 83 PHE C C 13 175.650 0.000 . 1 . . . . . 378 F C . 53993 1 232 . 1 . 1 83 83 PHE N N 15 123.078 0.009 . 1 . . . . . 378 F N . 53993 1 233 . 1 . 1 84 84 ARG H H 1 8.280 0.003 . 1 . . . . . 379 R H . 53993 1 234 . 1 . 1 84 84 ARG C C 13 176.028 0.000 . 1 . . . . . 379 R C . 53993 1 235 . 1 . 1 84 84 ARG N N 15 123.476 0.022 . 1 . . . . . 379 R N . 53993 1 236 . 1 . 1 85 85 GLU H H 1 8.491 0.004 . 1 . . . . . 380 E H . 53993 1 237 . 1 . 1 85 85 GLU C C 13 176.510 0.000 . 1 . . . . . 380 E C . 53993 1 238 . 1 . 1 85 85 GLU N N 15 122.413 0.019 . 1 . . . . . 380 E N . 53993 1 239 . 1 . 1 86 86 ASN H H 1 8.609 0.003 . 1 . . . . . 381 N H . 53993 1 240 . 1 . 1 86 86 ASN C C 13 175.203 0.000 . 1 . . . . . 381 N C . 53993 1 241 . 1 . 1 86 86 ASN N N 15 120.014 0.002 . 1 . . . . . 381 N N . 53993 1 242 . 1 . 1 87 87 ALA H H 1 8.347 0.004 . 1 . . . . . 382 A H . 53993 1 243 . 1 . 1 87 87 ALA C C 13 177.921 0.000 . 1 . . . . . 382 A C . 53993 1 244 . 1 . 1 87 87 ALA N N 15 124.556 0.002 . 1 . . . . . 382 A N . 53993 1 245 . 1 . 1 88 88 LYS H H 1 8.313 0.003 . 1 . . . . . 383 K H . 53993 1 246 . 1 . 1 88 88 LYS C C 13 176.545 0.000 . 1 . . . . . 383 K C . 53993 1 247 . 1 . 1 88 88 LYS N N 15 120.595 0.010 . 1 . . . . . 383 K N . 53993 1 248 . 1 . 1 89 89 ALA H H 1 8.349 0.003 . 1 . . . . . 384 A H . 53993 1 249 . 1 . 1 89 89 ALA C C 13 177.912 0.000 . 1 . . . . . 384 A C . 53993 1 250 . 1 . 1 89 89 ALA N N 15 125.425 0.020 . 1 . . . . . 384 A N . 53993 1 251 . 1 . 1 90 90 LYS H H 1 8.471 0.003 . 1 . . . . . 385 K H . 53993 1 252 . 1 . 1 90 90 LYS C C 13 176.984 0.000 . 1 . . . . . 385 K C . 53993 1 253 . 1 . 1 90 90 LYS N N 15 121.291 0.012 . 1 . . . . . 385 K N . 53993 1 254 . 1 . 1 91 91 THR H H 1 8.273 0.003 . 1 . . . . . 386 T H . 53993 1 255 . 1 . 1 91 91 THR C C 13 174.218 0.000 . 1 . . . . . 386 T C . 53993 1 256 . 1 . 1 91 91 THR N N 15 115.101 0.020 . 1 . . . . . 386 T N . 53993 1 257 . 1 . 1 92 92 ASP H H 1 8.425 0.003 . 1 . . . . . 387 D H . 53993 1 258 . 1 . 1 92 92 ASP C C 13 176.850 0.000 . 1 . . . . . 387 D C . 53993 1 259 . 1 . 1 92 92 ASP N N 15 122.763 0.006 . 1 . . . . . 387 D N . 53993 1 260 . 1 . 1 93 93 HIS H H 1 8.594 0.003 . 1 . . . . . 388 H H . 53993 1 261 . 1 . 1 93 93 HIS C C 13 175.875 0.000 . 1 . . . . . 388 H C . 53993 1 262 . 1 . 1 93 93 HIS N N 15 119.520 0.015 . 1 . . . . . 388 H N . 53993 1 263 . 1 . 1 94 94 GLY H H 1 8.530 0.005 . 1 . . . . . 389 G H . 53993 1 264 . 1 . 1 94 94 GLY C C 13 173.958 0.000 . 1 . . . . . 389 G C . 53993 1 265 . 1 . 1 94 94 GLY N N 15 110.393 0.016 . 1 . . . . . 389 G N . 53993 1 266 . 1 . 1 95 95 ALA H H 1 8.274 0.000 . 1 . . . . . 390 A H . 53993 1 267 . 1 . 1 95 95 ALA C C 13 176.993 0.000 . 1 . . . . . 390 A C . 53993 1 268 . 1 . 1 95 95 ALA N N 15 124.892 0.087 . 1 . . . . . 390 A N . 53993 1 269 . 1 . 1 96 96 GLU H H 1 8.140 0.003 . 1 . . . . . 391 E H . 53993 1 270 . 1 . 1 96 96 GLU N N 15 125.592 0.010 . 1 . . . . . 391 E N . 53993 1 stop_ save_ ################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53993 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name assigned_chemical_shifts_1to1 _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 '2D 1H-15N HSQC' . . . 53993 2 4 '3D HNCO' . . . 53993 2 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 1 $software_1 . . 53993 2 2 $software_2 . . 53993 2 3 $software_3 . . 53993 2 4 $software_4 . . 53993 2 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 2 2 ILE C C 13 175.645 0.000 . 1 . . . . . 297 I C . 53993 2 2 . 1 . 1 3 3 LYS H H 1 8.581 0.001 . 1 . . . . . 298 K H . 53993 2 3 . 1 . 1 3 3 LYS C C 13 175.874 0.000 . 1 . . . . . 298 K C . 53993 2 4 . 1 . 1 3 3 LYS N N 15 126.866 0.020 . 1 . . . . . 298 K N . 53993 2 5 . 1 . 1 4 4 HIS H H 1 8.595 0.003 . 1 . . . . . 299 H H . 53993 2 6 . 1 . 1 4 4 HIS C C 13 174.753 0.000 . 1 . . . . . 299 H C . 53993 2 7 . 1 . 1 4 4 HIS N N 15 123.231 0.009 . 1 . . . . . 299 H N . 53993 2 8 . 1 . 1 5 5 VAL H H 1 8.305 0.003 . 1 . . . . . 300 V H . 53993 2 9 . 1 . 1 5 5 VAL N N 15 124.643 0.004 . 1 . . . . . 300 V N . 53993 2 10 . 1 . 1 6 6 PRO C C 13 177.730 0.000 . 1 . . . . . 301 P C . 53993 2 11 . 1 . 1 7 7 GLY H H 1 8.781 0.004 . 1 . . . . . 302 G H . 53993 2 12 . 1 . 1 7 7 GLY C C 13 174.973 0.000 . 1 . . . . . 302 G C . 53993 2 13 . 1 . 1 7 7 GLY N N 15 110.850 0.011 . 1 . . . . . 302 G N . 53993 2 14 . 1 . 1 8 8 GLY H H 1 8.450 0.002 . 1 . . . . . 303 G H . 53993 2 15 . 1 . 1 8 8 GLY C C 13 175.029 0.000 . 1 . . . . . 303 G C . 53993 2 16 . 1 . 1 8 8 GLY N N 15 108.919 0.013 . 1 . . . . . 303 G N . 53993 2 17 . 1 . 1 9 9 GLY H H 1 8.487 0.000 . 1 . . . . . 304 G H . 53993 2 18 . 1 . 1 9 9 GLY C C 13 174.158 0.000 . 1 . . . . . 304 G C . 53993 2 19 . 1 . 1 9 9 GLY N N 15 108.999 0.004 . 1 . . . . . 304 G N . 53993 2 20 . 1 . 1 10 10 SER H H 1 8.367 0.003 . 1 . . . . . 305 S H . 53993 2 21 . 1 . 1 10 10 SER C C 13 174.559 0.000 . 1 . . . . . 305 S C . 53993 2 22 . 1 . 1 10 10 SER N N 15 115.840 0.005 . 1 . . . . . 305 S N . 53993 2 23 . 1 . 1 11 11 VAL H H 1 8.328 0.001 . 1 . . . . . 306 V H . 53993 2 24 . 1 . 1 11 11 VAL C C 13 175.995 0.000 . 1 . . . . . 306 V C . 53993 2 25 . 1 . 1 11 11 VAL N N 15 122.191 0.084 . 1 . . . . . 306 V N . 53993 2 26 . 1 . 1 12 12 GLN H H 1 8.590 0.003 . 1 . . . . . 307 Q H . 53993 2 27 . 1 . 1 12 12 GLN C C 13 175.633 0.000 . 1 . . . . . 307 Q C . 53993 2 28 . 1 . 1 12 12 GLN N N 15 125.347 0.021 . 1 . . . . . 307 Q N . 53993 2 29 . 1 . 1 13 13 ILE H H 1 8.384 0.003 . 1 . . . . . 308 I H . 53993 2 30 . 1 . 1 13 13 ILE C C 13 174.975 0.000 . 1 . . . . . 308 I C . 53993 2 31 . 1 . 1 13 13 ILE N N 15 124.207 0.181 . 1 . . . . . 308 I N . 53993 2 32 . 1 . 1 14 14 VAL H H 1 8.325 0.001 . 1 . . . . . 309 V H . 53993 2 33 . 1 . 1 14 14 VAL C C 13 175.502 0.000 . 1 . . . . . 309 V C . 53993 2 34 . 1 . 1 14 14 VAL N N 15 125.268 0.016 . 1 . . . . . 309 V N . 53993 2 35 . 1 . 1 15 15 TYR H H 1 8.620 0.002 . 1 . . . . . 310 Y H . 53993 2 36 . 1 . 1 15 15 TYR C C 13 175.785 0.000 . 1 . . . . . 310 Y C . 53993 2 37 . 1 . 1 15 15 TYR N N 15 126.828 0.020 . 1 . . . . . 310 Y N . 53993 2 38 . 1 . 1 16 16 LYS H H 1 8.362 0.002 . 1 . . . . . 311 K H . 53993 2 39 . 1 . 1 16 16 LYS N N 15 126.466 0.032 . 1 . . . . . 311 K N . 53993 2 40 . 1 . 1 17 17 PRO C C 13 176.895 0.000 . 1 . . . . . 312 P C . 53993 2 41 . 1 . 1 18 18 VAL H H 1 8.325 0.018 . 1 . . . . . 313 V H . 53993 2 42 . 1 . 1 18 18 VAL C C 13 175.662 0.000 . 1 . . . . . 313 V C . 53993 2 43 . 1 . 1 18 18 VAL N N 15 120.847 0.270 . 1 . . . . . 313 V N . 53993 2 44 . 1 . 1 19 19 ASP H H 1 8.535 0.003 . 1 . . . . . 314 D H . 53993 2 45 . 1 . 1 19 19 ASP C C 13 176.742 0.000 . 1 . . . . . 314 D C . 53993 2 46 . 1 . 1 19 19 ASP N N 15 124.811 0.019 . 1 . . . . . 314 D N . 53993 2 47 . 1 . 1 20 20 LEU H H 1 8.713 0.001 . 1 . . . . . 315 L H . 53993 2 48 . 1 . 1 20 20 LEU C C 13 178.145 0.000 . 1 . . . . . 315 L C . 53993 2 49 . 1 . 1 20 20 LEU N N 15 125.915 0.013 . 1 . . . . . 315 L N . 53993 2 50 . 1 . 1 21 21 SER H H 1 8.527 0.004 . 1 . . . . . 316 S H . 53993 2 51 . 1 . 1 21 21 SER C C 13 175.046 0.000 . 1 . . . . . 316 S C . 53993 2 52 . 1 . 1 21 21 SER N N 15 116.379 0.019 . 1 . . . . . 316 S N . 53993 2 53 . 1 . 1 22 22 LYS H H 1 8.044 0.003 . 1 . . . . . 317 K H . 53993 2 54 . 1 . 1 22 22 LYS C C 13 176.711 0.000 . 1 . . . . . 317 K C . 53993 2 55 . 1 . 1 22 22 LYS N N 15 122.168 0.008 . 1 . . . . . 317 K N . 53993 2 56 . 1 . 1 23 23 VAL H H 1 8.009 0.004 . 1 . . . . . 318 V H . 53993 2 57 . 1 . 1 23 23 VAL C C 13 176.626 0.000 . 1 . . . . . 318 V C . 53993 2 58 . 1 . 1 23 23 VAL N N 15 121.219 0.028 . 1 . . . . . 318 V N . 53993 2 59 . 1 . 1 24 24 THR H H 1 8.383 0.003 . 1 . . . . . 319 T H . 53993 2 60 . 1 . 1 24 24 THR C C 13 175.949 0.000 . 1 . . . . . 319 T C . 53993 2 61 . 1 . 1 24 24 THR N N 15 118.121 0.020 . 1 . . . . . 319 T N . 53993 2 62 . 1 . 1 25 25 SER H H 1 8.386 0.004 . 1 . . . . . 320 S H . 53993 2 63 . 1 . 1 25 25 SER C C 13 174.709 0.000 . 1 . . . . . 320 S C . 53993 2 64 . 1 . 1 25 25 SER N N 15 118.770 0.011 . 1 . . . . . 320 S N . 53993 2 65 . 1 . 1 26 26 LYS H H 1 8.582 0.002 . 1 . . . . . 321 K H . 53993 2 66 . 1 . 1 26 26 LYS C C 13 176.114 0.000 . 1 . . . . . 321 K C . 53993 2 67 . 1 . 1 26 26 LYS N N 15 123.642 0.019 . 1 . . . . . 321 K N . 53993 2 68 . 1 . 1 27 27 CYS H H 1 8.497 0.004 . 1 . . . . . 322 C H . 53993 2 69 . 1 . 1 27 27 CYS C C 13 175.382 0.000 . 1 . . . . . 322 C C . 53993 2 70 . 1 . 1 27 27 CYS N N 15 120.001 0.042 . 1 . . . . . 322 C N . 53993 2 71 . 1 . 1 28 28 GLY H H 1 8.607 0.003 . 1 . . . . . 323 G H . 53993 2 72 . 1 . 1 28 28 GLY C C 13 176.580 0.000 . 1 . . . . . 323 G C . 53993 2 73 . 1 . 1 28 28 GLY N N 15 111.167 0.008 . 1 . . . . . 323 G N . 53993 2 74 . 1 . 1 29 29 SER H H 1 8.386 0.002 . 1 . . . . . 324 S H . 53993 2 75 . 1 . 1 29 29 SER C C 13 176.187 0.000 . 1 . . . . . 324 S C . 53993 2 76 . 1 . 1 29 29 SER N N 15 116.242 0.022 . 1 . . . . . 324 S N . 53993 2 77 . 1 . 1 30 30 LEU H H 1 8.518 0.003 . 1 . . . . . 325 L H . 53993 2 78 . 1 . 1 30 30 LEU C C 13 178.021 0.000 . 1 . . . . . 325 L C . 53993 2 79 . 1 . 1 30 30 LEU N N 15 124.087 0.007 . 1 . . . . . 325 L N . 53993 2 80 . 1 . 1 31 31 GLY H H 1 8.438 0.001 . 1 . . . . . 326 G H . 53993 2 81 . 1 . 1 31 31 GLY C C 13 176.497 0.000 . 1 . . . . . 326 G C . 53993 2 82 . 1 . 1 31 31 GLY N N 15 108.951 0.007 . 1 . . . . . 326 G N . 53993 2 83 . 1 . 1 32 32 ASN H H 1 8.375 0.000 . 1 . . . . . 327 N H . 53993 2 84 . 1 . 1 32 32 ASN C C 13 175.420 0.000 . 1 . . . . . 327 N C . 53993 2 85 . 1 . 1 32 32 ASN N N 15 118.903 0.060 . 1 . . . . . 327 N N . 53993 2 86 . 1 . 1 33 33 ILE H H 1 8.130 0.003 . 1 . . . . . 328 I H . 53993 2 87 . 1 . 1 33 33 ILE C C 13 175.937 0.000 . 1 . . . . . 328 I C . 53993 2 88 . 1 . 1 33 33 ILE N N 15 120.814 0.013 . 1 . . . . . 328 I N . 53993 2 89 . 1 . 1 34 34 HIS H H 1 8.424 0.029 . 1 . . . . . 329 H H . 53993 2 90 . 1 . 1 34 34 HIS C C 13 176.895 0.000 . 1 . . . . . 329 H C . 53993 2 91 . 1 . 1 34 34 HIS N N 15 123.178 0.014 . 1 . . . . . 329 H N . 53993 2 92 . 1 . 1 35 35 HIS H H 1 8.336 0.007 . 1 . . . . . 330 H H . 53993 2 93 . 1 . 1 35 35 HIS C C 13 175.606 0.000 . 1 . . . . . 330 H C . 53993 2 94 . 1 . 1 35 35 HIS N N 15 121.326 0.208 . 1 . . . . . 330 H N . 53993 2 95 . 1 . 1 36 36 LYS H H 1 8.445 0.003 . 1 . . . . . 331 K H . 53993 2 96 . 1 . 1 36 36 LYS N N 15 124.874 0.015 . 1 . . . . . 331 K N . 53993 2 97 . 1 . 1 37 37 PRO C C 13 177.731 0.000 . 1 . . . . . 332 P C . 53993 2 98 . 1 . 1 38 38 GLY H H 1 8.785 0.001 . 1 . . . . . 333 G H . 53993 2 99 . 1 . 1 38 38 GLY C C 13 174.917 0.000 . 1 . . . . . 333 G C . 53993 2 100 . 1 . 1 38 38 GLY N N 15 110.859 0.021 . 1 . . . . . 333 G N . 53993 2 101 . 1 . 1 39 39 GLY H H 1 8.487 0.004 . 1 . . . . . 334 G H . 53993 2 102 . 1 . 1 39 39 GLY C C 13 174.917 0.000 . 1 . . . . . 334 G C . 53993 2 103 . 1 . 1 39 39 GLY N N 15 109.032 0.031 . 1 . . . . . 334 G N . 53993 2 104 . 1 . 1 40 40 GLY H H 1 8.489 0.002 . 1 . . . . . 335 G H . 53993 2 105 . 1 . 1 40 40 GLY C C 13 174.052 0.000 . 1 . . . . . 335 G C . 53993 2 106 . 1 . 1 40 40 GLY N N 15 109.002 0.001 . 1 . . . . . 335 G N . 53993 2 107 . 1 . 1 41 41 GLN H H 1 8.393 0.003 . 1 . . . . . 336 Q H . 53993 2 108 . 1 . 1 41 41 GLN C C 13 176.031 0.000 . 1 . . . . . 336 Q C . 53993 2 109 . 1 . 1 41 41 GLN N N 15 120.078 0.003 . 1 . . . . . 336 Q N . 53993 2 110 . 1 . 1 42 42 VAL H H 1 8.370 0.003 . 1 . . . . . 337 V H . 53993 2 111 . 1 . 1 42 42 VAL C C 13 176.024 0.000 . 1 . . . . . 337 V C . 53993 2 112 . 1 . 1 42 42 VAL N N 15 122.310 0.013 . 1 . . . . . 337 V N . 53993 2 113 . 1 . 1 43 43 GLU H H 1 8.652 0.002 . 1 . . . . . 338 E H . 53993 2 114 . 1 . 1 43 43 GLU C C 13 176.542 0.000 . 1 . . . . . 338 E C . 53993 2 115 . 1 . 1 43 43 GLU N N 15 126.050 0.018 . 1 . . . . . 338 E N . 53993 2 116 . 1 . 1 44 44 VAL H H 1 8.489 0.031 . 1 . . . . . 339 V H . 53993 2 117 . 1 . 1 44 44 VAL C C 13 176.175 0.000 . 1 . . . . . 339 V C . 53993 2 118 . 1 . 1 44 44 VAL N N 15 123.764 0.016 . 1 . . . . . 339 V N . 53993 2 119 . 1 . 1 45 45 LYS H H 1 8.658 0.003 . 1 . . . . . 340 K H . 53993 2 120 . 1 . 1 45 45 LYS C C 13 176.510 0.000 . 1 . . . . . 340 K C . 53993 2 121 . 1 . 1 45 45 LYS N N 15 126.858 0.015 . 1 . . . . . 340 K N . 53993 2 122 . 1 . 1 46 46 SER H H 1 8.538 0.003 . 1 . . . . . 341 S H . 53993 2 123 . 1 . 1 46 46 SER C C 13 174.594 0.000 . 1 . . . . . 341 S C . 53993 2 124 . 1 . 1 46 46 SER N N 15 118.121 0.023 . 1 . . . . . 341 S N . 53993 2 125 . 1 . 1 47 47 GLU H H 1 8.666 0.004 . 1 . . . . . 342 E H . 53993 2 126 . 1 . 1 47 47 GLU C C 13 176.356 0.000 . 1 . . . . . 342 E C . 53993 2 127 . 1 . 1 47 47 GLU N N 15 123.760 0.002 . 1 . . . . . 342 E N . 53993 2 128 . 1 . 1 48 48 LYS H H 1 8.463 0.003 . 1 . . . . . 343 K H . 53993 2 129 . 1 . 1 48 48 LYS C C 13 176.526 0.000 . 1 . . . . . 343 K C . 53993 2 130 . 1 . 1 48 48 LYS N N 15 122.674 0.010 . 1 . . . . . 343 K N . 53993 2 131 . 1 . 1 49 49 LEU H H 1 8.382 0.003 . 1 . . . . . 344 L H . 53993 2 132 . 1 . 1 49 49 LEU C C 13 176.893 0.000 . 1 . . . . . 344 L C . 53993 2 133 . 1 . 1 49 49 LEU N N 15 123.947 0.007 . 1 . . . . . 344 L N . 53993 2 134 . 1 . 1 50 50 ASP H H 1 8.446 0.003 . 1 . . . . . 345 D H . 53993 2 135 . 1 . 1 50 50 ASP C C 13 176.133 0.000 . 1 . . . . . 345 D C . 53993 2 136 . 1 . 1 50 50 ASP N N 15 121.523 0.021 . 1 . . . . . 345 D N . 53993 2 137 . 1 . 1 51 51 PHE H H 1 8.336 0.002 . 1 . . . . . 346 F H . 53993 2 138 . 1 . 1 51 51 PHE C C 13 175.369 0.000 . 1 . . . . . 346 F C . 53993 2 139 . 1 . 1 51 51 PHE N N 15 121.341 0.176 . 1 . . . . . 346 F N . 53993 2 140 . 1 . 1 52 52 LYS H H 1 8.329 0.006 . 1 . . . . . 347 K H . 53993 2 141 . 1 . 1 52 52 LYS C C 13 176.345 0.000 . 1 . . . . . 347 K C . 53993 2 142 . 1 . 1 52 52 LYS N N 15 122.271 0.023 . 1 . . . . . 347 K N . 53993 2 143 . 1 . 1 53 53 ASP H H 1 8.253 0.004 . 1 . . . . . 348 D H . 53993 2 144 . 1 . 1 53 53 ASP C C 13 176.179 0.000 . 1 . . . . . 348 D C . 53993 2 145 . 1 . 1 53 53 ASP N N 15 120.343 0.017 . 1 . . . . . 348 D N . 53993 2 146 . 1 . 1 54 54 ARG H H 1 8.131 0.005 . 1 . . . . . 349 R H . 53993 2 147 . 1 . 1 54 54 ARG C C 13 174.914 0.000 . 1 . . . . . 349 R C . 53993 2 148 . 1 . 1 54 54 ARG N N 15 121.154 0.003 . 1 . . . . . 349 R N . 53993 2 149 . 1 . 1 55 55 VAL H H 1 8.283 0.007 . 1 . . . . . 350 V H . 53993 2 150 . 1 . 1 55 55 VAL C C 13 176.485 0.000 . 1 . . . . . 350 V C . 53993 2 151 . 1 . 1 55 55 VAL N N 15 121.672 0.023 . 1 . . . . . 350 V N . 53993 2 152 . 1 . 1 56 56 GLN H H 1 8.643 0.002 . 1 . . . . . 351 Q H . 53993 2 153 . 1 . 1 56 56 GLN C C 13 176.103 0.000 . 1 . . . . . 351 Q C . 53993 2 154 . 1 . 1 56 56 GLN N N 15 124.851 0.020 . 1 . . . . . 351 Q N . 53993 2 155 . 1 . 1 57 57 SER H H 1 8.498 0.002 . 1 . . . . . 352 S H . 53993 2 156 . 1 . 1 57 57 SER C C 13 174.538 0.000 . 1 . . . . . 352 S C . 53993 2 157 . 1 . 1 57 57 SER N N 15 117.986 0.013 . 1 . . . . . 352 S N . 53993 2 158 . 1 . 1 58 58 LYS H H 1 8.501 0.026 . 1 . . . . . 353 K H . 53993 2 159 . 1 . 1 58 58 LYS C C 13 176.503 0.000 . 1 . . . . . 353 K C . 53993 2 160 . 1 . 1 58 58 LYS N N 15 123.860 0.124 . 1 . . . . . 353 K N . 53993 2 161 . 1 . 1 59 59 ILE H H 1 8.310 0.001 . 1 . . . . . 354 I H . 53993 2 162 . 1 . 1 59 59 ILE C C 13 176.971 0.000 . 1 . . . . . 354 I C . 53993 2 163 . 1 . 1 59 59 ILE N N 15 122.186 0.032 . 1 . . . . . 354 I N . 53993 2 164 . 1 . 1 60 60 GLY H H 1 8.675 0.003 . 1 . . . . . 355 G H . 53993 2 165 . 1 . 1 60 60 GLY C C 13 174.195 0.000 . 1 . . . . . 355 G C . 53993 2 166 . 1 . 1 60 60 GLY N N 15 113.916 0.019 . 1 . . . . . 355 G N . 53993 2 167 . 1 . 1 61 61 SER H H 1 8.280 0.003 . 1 . . . . . 356 S H . 53993 2 168 . 1 . 1 61 61 SER C C 13 175.027 0.000 . 1 . . . . . 356 S C . 53993 2 169 . 1 . 1 61 61 SER N N 15 115.756 0.005 . 1 . . . . . 356 S N . 53993 2 170 . 1 . 1 62 62 LEU H H 1 8.554 0.003 . 1 . . . . . 357 L H . 53993 2 171 . 1 . 1 62 62 LEU C C 13 177.334 0.000 . 1 . . . . . 357 L C . 53993 2 172 . 1 . 1 62 62 LEU N N 15 124.236 0.003 . 1 . . . . . 357 L N . 53993 2 173 . 1 . 1 63 63 ASP H H 1 8.296 0.003 . 1 . . . . . 358 D H . 53993 2 174 . 1 . 1 63 63 ASP C C 13 173.778 0.000 . 1 . . . . . 358 D C . 53993 2 175 . 1 . 1 63 63 ASP N N 15 120.414 0.020 . 1 . . . . . 358 D N . 53993 2 176 . 1 . 1 64 64 ASN H H 1 8.364 0.002 . 1 . . . . . 359 N H . 53993 2 177 . 1 . 1 64 64 ASN C C 13 175.168 0.000 . 1 . . . . . 359 N C . 53993 2 178 . 1 . 1 64 64 ASN N N 15 118.829 0.014 . 1 . . . . . 359 N N . 53993 2 179 . 1 . 1 65 65 ILE H H 1 8.168 0.004 . 1 . . . . . 360 I H . 53993 2 180 . 1 . 1 65 65 ILE C C 13 176.543 0.000 . 1 . . . . . 360 I C . 53993 2 181 . 1 . 1 65 65 ILE N N 15 121.050 0.003 . 1 . . . . . 360 I N . 53993 2 182 . 1 . 1 66 66 THR H H 1 8.372 0.003 . 1 . . . . . 361 T H . 53993 2 183 . 1 . 1 66 66 THR C C 13 174.106 0.000 . 1 . . . . . 361 T C . 53993 2 184 . 1 . 1 66 66 THR N N 15 118.374 0.025 . 1 . . . . . 361 T N . 53993 2 185 . 1 . 1 67 67 HIS H H 1 8.486 0.007 . 1 . . . . . 362 H H . 53993 2 186 . 1 . 1 67 67 HIS C C 13 173.732 0.000 . 1 . . . . . 362 H C . 53993 2 187 . 1 . 1 67 67 HIS N N 15 123.498 0.099 . 1 . . . . . 362 H N . 53993 2 188 . 1 . 1 68 68 VAL H H 1 8.293 0.000 . 1 . . . . . 363 V H . 53993 2 189 . 1 . 1 68 68 VAL N N 15 124.422 0.006 . 1 . . . . . 363 V N . 53993 2 190 . 1 . 1 69 69 PRO C C 13 177.733 0.000 . 1 . . . . . 364 P C . 53993 2 191 . 1 . 1 70 70 GLY H H 1 8.758 0.003 . 1 . . . . . 365 G H . 53993 2 192 . 1 . 1 70 70 GLY C C 13 174.737 0.000 . 1 . . . . . 365 G C . 53993 2 193 . 1 . 1 70 70 GLY N N 15 110.522 0.013 . 1 . . . . . 365 G N . 53993 2 194 . 1 . 1 71 71 GLY H H 1 8.505 0.018 . 1 . . . . . 366 G H . 53993 2 195 . 1 . 1 71 71 GLY C C 13 174.562 0.000 . 1 . . . . . 366 G C . 53993 2 196 . 1 . 1 71 71 GLY N N 15 109.037 0.035 . 1 . . . . . 366 G N . 53993 2 197 . 1 . 1 72 72 GLY H H 1 8.492 0.004 . 1 . . . . . 367 G H . 53993 2 198 . 1 . 1 72 72 GLY C C 13 173.975 0.000 . 1 . . . . . 367 G C . 53993 2 199 . 1 . 1 72 72 GLY N N 15 108.986 0.017 . 1 . . . . . 367 G N . 53993 2 200 . 1 . 1 73 73 ASN H H 1 8.470 0.003 . 1 . . . . . 368 N H . 53993 2 201 . 1 . 1 73 73 ASN C C 13 175.325 0.000 . 1 . . . . . 368 N C . 53993 2 202 . 1 . 1 73 73 ASN N N 15 118.691 0.002 . 1 . . . . . 368 N N . 53993 2 203 . 1 . 1 74 74 LYS H H 1 8.425 0.003 . 1 . . . . . 369 K H . 53993 2 204 . 1 . 1 74 74 LYS C C 13 176.508 0.000 . 1 . . . . . 369 K C . 53993 2 205 . 1 . 1 74 74 LYS N N 15 122.188 0.010 . 1 . . . . . 369 K N . 53993 2 206 . 1 . 1 75 75 LYS H H 1 8.484 0.003 . 1 . . . . . 370 K H . 53993 2 207 . 1 . 1 75 75 LYS C C 13 175.081 0.000 . 1 . . . . . 370 K C . 53993 2 208 . 1 . 1 75 75 LYS N N 15 123.704 0.019 . 1 . . . . . 370 K N . 53993 2 209 . 1 . 1 76 76 ILE H H 1 8.341 0.005 . 1 . . . . . 371 I H . 53993 2 210 . 1 . 1 76 76 ILE C C 13 176.310 0.000 . 1 . . . . . 371 I C . 53993 2 211 . 1 . 1 76 76 ILE N N 15 123.538 0.002 . 1 . . . . . 371 I N . 53993 2 212 . 1 . 1 77 77 GLU H H 1 8.688 0.003 . 1 . . . . . 372 E H . 53993 2 213 . 1 . 1 77 77 GLU C C 13 175.733 0.000 . 1 . . . . . 372 E C . 53993 2 214 . 1 . 1 77 77 GLU N N 15 126.409 0.033 . 1 . . . . . 372 E N . 53993 2 215 . 1 . 1 78 78 THR H H 1 8.350 0.008 . 1 . . . . . 373 T H . 53993 2 216 . 1 . 1 78 78 THR C C 13 174.510 0.000 . 1 . . . . . 373 T C . 53993 2 217 . 1 . 1 78 78 THR N N 15 115.846 0.025 . 1 . . . . . 373 T N . 53993 2 218 . 1 . 1 79 79 HIS H H 1 8.513 0.005 . 1 . . . . . 374 H H . 53993 2 219 . 1 . 1 79 79 HIS C C 13 176.748 0.000 . 1 . . . . . 374 H C . 53993 2 220 . 1 . 1 79 79 HIS N N 15 122.021 0.018 . 1 . . . . . 374 H N . 53993 2 221 . 1 . 1 80 80 LYS H H 1 8.303 0.002 . 1 . . . . . 375 K H . 53993 2 222 . 1 . 1 80 80 LYS C C 13 176.771 0.000 . 1 . . . . . 375 K C . 53993 2 223 . 1 . 1 80 80 LYS N N 15 122.799 0.026 . 1 . . . . . 375 K N . 53993 2 224 . 1 . 1 81 81 LEU H H 1 8.447 0.016 . 1 . . . . . 376 L H . 53993 2 225 . 1 . 1 81 81 LEU C C 13 177.551 0.000 . 1 . . . . . 376 L C . 53993 2 226 . 1 . 1 81 81 LEU N N 15 123.713 0.173 . 1 . . . . . 376 L N . 53993 2 227 . 1 . 1 82 82 THR H H 1 8.200 0.000 . 1 . . . . . 377 T H . 53993 2 228 . 1 . 1 82 82 THR C C 13 174.186 0.000 . 1 . . . . . 377 T C . 53993 2 229 . 1 . 1 82 82 THR N N 15 115.062 0.025 . 1 . . . . . 377 T N . 53993 2 230 . 1 . 1 83 83 PHE H H 1 8.422 0.001 . 1 . . . . . 378 F H . 53993 2 231 . 1 . 1 83 83 PHE C C 13 175.669 0.000 . 1 . . . . . 378 F C . 53993 2 232 . 1 . 1 83 83 PHE N N 15 123.085 0.008 . 1 . . . . . 378 F N . 53993 2 233 . 1 . 1 84 84 ARG H H 1 8.284 0.001 . 1 . . . . . 379 R H . 53993 2 234 . 1 . 1 84 84 ARG C C 13 176.043 0.000 . 1 . . . . . 379 R C . 53993 2 235 . 1 . 1 84 84 ARG N N 15 123.455 0.019 . 1 . . . . . 379 R N . 53993 2 236 . 1 . 1 85 85 GLU H H 1 8.486 0.005 . 1 . . . . . 380 E H . 53993 2 237 . 1 . 1 85 85 GLU C C 13 176.520 0.000 . 1 . . . . . 380 E C . 53993 2 238 . 1 . 1 85 85 GLU N N 15 122.406 0.019 . 1 . . . . . 380 E N . 53993 2 239 . 1 . 1 86 86 ASN H H 1 8.610 0.003 . 1 . . . . . 381 N H . 53993 2 240 . 1 . 1 86 86 ASN C C 13 175.213 0.000 . 1 . . . . . 381 N C . 53993 2 241 . 1 . 1 86 86 ASN N N 15 120.019 0.004 . 1 . . . . . 381 N N . 53993 2 242 . 1 . 1 87 87 ALA H H 1 8.347 0.004 . 1 . . . . . 382 A H . 53993 2 243 . 1 . 1 87 87 ALA C C 13 177.936 0.000 . 1 . . . . . 382 A C . 53993 2 244 . 1 . 1 87 87 ALA N N 15 124.551 0.003 . 1 . . . . . 382 A N . 53993 2 245 . 1 . 1 88 88 LYS H H 1 8.314 0.000 . 1 . . . . . 383 K H . 53993 2 246 . 1 . 1 88 88 LYS C C 13 176.554 0.000 . 1 . . . . . 383 K C . 53993 2 247 . 1 . 1 88 88 LYS N N 15 120.566 0.000 . 1 . . . . . 383 K N . 53993 2 248 . 1 . 1 89 89 ALA H H 1 8.343 0.004 . 1 . . . . . 384 A H . 53993 2 249 . 1 . 1 89 89 ALA C C 13 177.928 0.000 . 1 . . . . . 384 A C . 53993 2 250 . 1 . 1 89 89 ALA N N 15 125.368 0.001 . 1 . . . . . 384 A N . 53993 2 251 . 1 . 1 90 90 LYS H H 1 8.468 0.003 . 1 . . . . . 385 K H . 53993 2 252 . 1 . 1 90 90 LYS C C 13 176.995 0.000 . 1 . . . . . 385 K C . 53993 2 253 . 1 . 1 90 90 LYS N N 15 121.259 0.005 . 1 . . . . . 385 K N . 53993 2 254 . 1 . 1 91 91 THR H H 1 8.266 0.004 . 1 . . . . . 386 T H . 53993 2 255 . 1 . 1 91 91 THR C C 13 174.223 0.000 . 1 . . . . . 386 T C . 53993 2 256 . 1 . 1 91 91 THR N N 15 115.041 0.005 . 1 . . . . . 386 T N . 53993 2 257 . 1 . 1 92 92 ASP H H 1 8.422 0.004 . 1 . . . . . 387 D H . 53993 2 258 . 1 . 1 92 92 ASP C C 13 176.881 0.000 . 1 . . . . . 387 D C . 53993 2 259 . 1 . 1 92 92 ASP N N 15 122.757 0.005 . 1 . . . . . 387 D N . 53993 2 260 . 1 . 1 93 93 HIS H H 1 8.595 0.000 . 1 . . . . . 388 H H . 53993 2 261 . 1 . 1 93 93 HIS C C 13 175.724 0.000 . 1 . . . . . 388 H C . 53993 2 262 . 1 . 1 93 93 HIS N N 15 119.520 0.018 . 1 . . . . . 388 H N . 53993 2 263 . 1 . 1 94 94 GLY H H 1 8.546 0.000 . 1 . . . . . 389 G H . 53993 2 264 . 1 . 1 94 94 GLY C C 13 173.961 0.000 . 1 . . . . . 389 G C . 53993 2 265 . 1 . 1 94 94 GLY N N 15 110.351 0.003 . 1 . . . . . 389 G N . 53993 2 266 . 1 . 1 95 95 ALA H H 1 8.291 0.009 . 1 . . . . . 390 A H . 53993 2 267 . 1 . 1 95 95 ALA C C 13 177.001 0.000 . 1 . . . . . 390 A C . 53993 2 268 . 1 . 1 95 95 ALA N N 15 124.808 0.186 . 1 . . . . . 390 A N . 53993 2 269 . 1 . 1 96 96 GLU H H 1 8.137 0.003 . 1 . . . . . 391 E H . 53993 2 270 . 1 . 1 96 96 GLU N N 15 125.591 0.010 . 1 . . . . . 391 E N . 53993 2 stop_ save_ ################################### # 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 53993 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Name assigned_chemical_shifts_2to1 _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 5 '2D 1H-15N HSQC' . . . 53993 3 6 '3D HNCO' . . . 53993 3 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 1 $software_1 . . 53993 3 2 $software_2 . . 53993 3 3 $software_3 . . 53993 3 4 $software_4 . . 53993 3 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 2 2 ILE C C 13 175.681 0.000 . 1 . . . . . 297 I C . 53993 3 2 . 1 . 1 3 3 LYS H H 1 8.576 0.002 . 1 . . . . . 298 K H . 53993 3 3 . 1 . 1 3 3 LYS C C 13 175.867 0.000 . 1 . . . . . 298 K C . 53993 3 4 . 1 . 1 3 3 LYS N N 15 126.859 0.025 . 1 . . . . . 298 K N . 53993 3 5 . 1 . 1 4 4 HIS H H 1 8.574 0.000 . 1 . . . . . 299 H H . 53993 3 6 . 1 . 1 4 4 HIS C C 13 174.825 0.000 . 1 . . . . . 299 H C . 53993 3 7 . 1 . 1 4 4 HIS N N 15 123.324 0.014 . 1 . . . . . 299 H N . 53993 3 8 . 1 . 1 5 5 VAL H H 1 8.293 0.002 . 1 . . . . . 300 V H . 53993 3 9 . 1 . 1 5 5 VAL N N 15 124.729 0.010 . 1 . . . . . 300 V N . 53993 3 10 . 1 . 1 6 6 PRO C C 13 177.728 0.000 . 1 . . . . . 301 P C . 53993 3 11 . 1 . 1 7 7 GLY H H 1 8.782 0.003 . 1 . . . . . 302 G H . 53993 3 12 . 1 . 1 7 7 GLY C C 13 174.973 0.000 . 1 . . . . . 302 G C . 53993 3 13 . 1 . 1 7 7 GLY N N 15 110.855 0.021 . 1 . . . . . 302 G N . 53993 3 14 . 1 . 1 8 8 GLY H H 1 8.449 0.002 . 1 . . . . . 303 G H . 53993 3 15 . 1 . 1 8 8 GLY C C 13 175.028 0.000 . 1 . . . . . 303 G C . 53993 3 16 . 1 . 1 8 8 GLY N N 15 108.922 0.015 . 1 . . . . . 303 G N . 53993 3 17 . 1 . 1 9 9 GLY H H 1 8.487 0.000 . 1 . . . . . 304 G H . 53993 3 18 . 1 . 1 9 9 GLY C C 13 174.156 0.000 . 1 . . . . . 304 G C . 53993 3 19 . 1 . 1 9 9 GLY N N 15 109.000 0.001 . 1 . . . . . 304 G N . 53993 3 20 . 1 . 1 10 10 SER H H 1 8.366 0.003 . 1 . . . . . 305 S H . 53993 3 21 . 1 . 1 10 10 SER C C 13 174.559 0.000 . 1 . . . . . 305 S C . 53993 3 22 . 1 . 1 10 10 SER N N 15 115.835 0.005 . 1 . . . . . 305 S N . 53993 3 23 . 1 . 1 11 11 VAL H H 1 8.327 0.001 . 1 . . . . . 306 V H . 53993 3 24 . 1 . 1 11 11 VAL C C 13 175.993 0.000 . 1 . . . . . 306 V C . 53993 3 25 . 1 . 1 11 11 VAL N N 15 122.196 0.073 . 1 . . . . . 306 V N . 53993 3 26 . 1 . 1 12 12 GLN H H 1 8.590 0.003 . 1 . . . . . 307 Q H . 53993 3 27 . 1 . 1 12 12 GLN C C 13 175.693 0.000 . 1 . . . . . 307 Q C . 53993 3 28 . 1 . 1 12 12 GLN N N 15 125.338 0.018 . 1 . . . . . 307 Q N . 53993 3 29 . 1 . 1 13 13 ILE H H 1 8.373 0.007 . 1 . . . . . 308 I H . 53993 3 30 . 1 . 1 13 13 ILE C C 13 175.032 0.000 . 1 . . . . . 308 I C . 53993 3 31 . 1 . 1 13 13 ILE N N 15 124.208 0.181 . 1 . . . . . 308 I N . 53993 3 32 . 1 . 1 14 14 VAL H H 1 8.309 0.002 . 1 . . . . . 309 V H . 53993 3 33 . 1 . 1 14 14 VAL C C 13 175.498 0.000 . 1 . . . . . 309 V C . 53993 3 34 . 1 . 1 14 14 VAL N N 15 125.307 0.026 . 1 . . . . . 309 V N . 53993 3 35 . 1 . 1 15 15 TYR H H 1 8.619 0.002 . 1 . . . . . 310 Y H . 53993 3 36 . 1 . 1 15 15 TYR C C 13 175.783 0.000 . 1 . . . . . 310 Y C . 53993 3 37 . 1 . 1 15 15 TYR N N 15 126.812 0.019 . 1 . . . . . 310 Y N . 53993 3 38 . 1 . 1 16 16 LYS H H 1 8.361 0.002 . 1 . . . . . 311 K H . 53993 3 39 . 1 . 1 16 16 LYS N N 15 126.454 0.031 . 1 . . . . . 311 K N . 53993 3 40 . 1 . 1 17 17 PRO C C 13 176.894 0.000 . 1 . . . . . 312 P C . 53993 3 41 . 1 . 1 18 18 VAL H H 1 8.317 0.025 . 1 . . . . . 313 V H . 53993 3 42 . 1 . 1 18 18 VAL C C 13 175.659 0.000 . 1 . . . . . 313 V C . 53993 3 43 . 1 . 1 18 18 VAL N N 15 121.091 0.021 . 1 . . . . . 313 V N . 53993 3 44 . 1 . 1 19 19 ASP H H 1 8.535 0.002 . 1 . . . . . 314 D H . 53993 3 45 . 1 . 1 19 19 ASP C C 13 176.743 0.000 . 1 . . . . . 314 D C . 53993 3 46 . 1 . 1 19 19 ASP N N 15 124.802 0.014 . 1 . . . . . 314 D N . 53993 3 47 . 1 . 1 20 20 LEU H H 1 8.713 0.001 . 1 . . . . . 315 L H . 53993 3 48 . 1 . 1 20 20 LEU C C 13 178.145 0.000 . 1 . . . . . 315 L C . 53993 3 49 . 1 . 1 20 20 LEU N N 15 125.907 0.012 . 1 . . . . . 315 L N . 53993 3 50 . 1 . 1 21 21 SER H H 1 8.525 0.003 . 1 . . . . . 316 S H . 53993 3 51 . 1 . 1 21 21 SER C C 13 175.048 0.000 . 1 . . . . . 316 S C . 53993 3 52 . 1 . 1 21 21 SER N N 15 116.373 0.018 . 1 . . . . . 316 S N . 53993 3 53 . 1 . 1 22 22 LYS H H 1 8.043 0.003 . 1 . . . . . 317 K H . 53993 3 54 . 1 . 1 22 22 LYS C C 13 176.712 0.000 . 1 . . . . . 317 K C . 53993 3 55 . 1 . 1 22 22 LYS N N 15 122.156 0.011 . 1 . . . . . 317 K N . 53993 3 56 . 1 . 1 23 23 VAL H H 1 8.008 0.003 . 1 . . . . . 318 V H . 53993 3 57 . 1 . 1 23 23 VAL C C 13 176.627 0.000 . 1 . . . . . 318 V C . 53993 3 58 . 1 . 1 23 23 VAL N N 15 121.198 0.027 . 1 . . . . . 318 V N . 53993 3 59 . 1 . 1 24 24 THR H H 1 8.381 0.003 . 1 . . . . . 319 T H . 53993 3 60 . 1 . 1 24 24 THR C C 13 175.944 0.000 . 1 . . . . . 319 T C . 53993 3 61 . 1 . 1 24 24 THR N N 15 118.117 0.015 . 1 . . . . . 319 T N . 53993 3 62 . 1 . 1 25 25 SER H H 1 8.386 0.004 . 1 . . . . . 320 S H . 53993 3 63 . 1 . 1 25 25 SER C C 13 174.710 0.000 . 1 . . . . . 320 S C . 53993 3 64 . 1 . 1 25 25 SER N N 15 118.751 0.006 . 1 . . . . . 320 S N . 53993 3 65 . 1 . 1 26 26 LYS H H 1 8.579 0.004 . 1 . . . . . 321 K H . 53993 3 66 . 1 . 1 26 26 LYS C C 13 176.113 0.000 . 1 . . . . . 321 K C . 53993 3 67 . 1 . 1 26 26 LYS N N 15 123.633 0.009 . 1 . . . . . 321 K N . 53993 3 68 . 1 . 1 27 27 CYS H H 1 8.466 0.000 . 1 . . . . . 322 C H . 53993 3 69 . 1 . 1 27 27 CYS C C 13 175.378 0.000 . 1 . . . . . 322 C C . 53993 3 70 . 1 . 1 27 27 CYS N N 15 120.172 0.015 . 1 . . . . . 322 C N . 53993 3 71 . 1 . 1 28 28 GLY H H 1 8.605 0.002 . 1 . . . . . 323 G H . 53993 3 72 . 1 . 1 28 28 GLY C C 13 176.604 0.000 . 1 . . . . . 323 G C . 53993 3 73 . 1 . 1 28 28 GLY N N 15 111.159 0.005 . 1 . . . . . 323 G N . 53993 3 74 . 1 . 1 29 29 SER H H 1 8.383 0.002 . 1 . . . . . 324 S H . 53993 3 75 . 1 . 1 29 29 SER C C 13 176.186 0.000 . 1 . . . . . 324 S C . 53993 3 76 . 1 . 1 29 29 SER N N 15 116.201 0.011 . 1 . . . . . 324 S N . 53993 3 77 . 1 . 1 30 30 LEU H H 1 8.518 0.002 . 1 . . . . . 325 L H . 53993 3 78 . 1 . 1 30 30 LEU C C 13 178.014 0.000 . 1 . . . . . 325 L C . 53993 3 79 . 1 . 1 30 30 LEU N N 15 124.085 0.008 . 1 . . . . . 325 L N . 53993 3 80 . 1 . 1 31 31 GLY H H 1 8.439 0.001 . 1 . . . . . 326 G H . 53993 3 81 . 1 . 1 31 31 GLY C C 13 176.495 0.000 . 1 . . . . . 326 G C . 53993 3 82 . 1 . 1 31 31 GLY N N 15 108.951 0.006 . 1 . . . . . 326 G N . 53993 3 83 . 1 . 1 32 32 ASN H H 1 8.375 0.002 . 1 . . . . . 327 N H . 53993 3 84 . 1 . 1 32 32 ASN C C 13 175.429 0.000 . 1 . . . . . 327 N C . 53993 3 85 . 1 . 1 32 32 ASN N N 15 118.917 0.017 . 1 . . . . . 327 N N . 53993 3 86 . 1 . 1 33 33 ILE H H 1 8.131 0.003 . 1 . . . . . 328 I H . 53993 3 87 . 1 . 1 33 33 ILE C C 13 175.912 0.000 . 1 . . . . . 328 I C . 53993 3 88 . 1 . 1 33 33 ILE N N 15 120.801 0.011 . 1 . . . . . 328 I N . 53993 3 89 . 1 . 1 34 34 HIS H H 1 8.428 0.001 . 1 . . . . . 329 H H . 53993 3 90 . 1 . 1 34 34 HIS C C 13 176.894 0.000 . 1 . . . . . 329 H C . 53993 3 91 . 1 . 1 34 34 HIS N N 15 123.243 0.015 . 1 . . . . . 329 H N . 53993 3 92 . 1 . 1 35 35 HIS H H 1 8.335 0.007 . 1 . . . . . 330 H H . 53993 3 93 . 1 . 1 35 35 HIS C C 13 175.605 0.000 . 1 . . . . . 330 H C . 53993 3 94 . 1 . 1 35 35 HIS N N 15 121.320 0.208 . 1 . . . . . 330 H N . 53993 3 95 . 1 . 1 36 36 LYS H H 1 8.445 0.002 . 1 . . . . . 331 K H . 53993 3 96 . 1 . 1 36 36 LYS N N 15 124.864 0.013 . 1 . . . . . 331 K N . 53993 3 97 . 1 . 1 37 37 PRO C C 13 177.730 0.000 . 1 . . . . . 332 P C . 53993 3 98 . 1 . 1 38 38 GLY H H 1 8.785 0.000 . 1 . . . . . 333 G H . 53993 3 99 . 1 . 1 38 38 GLY C C 13 174.895 0.000 . 1 . . . . . 333 G C . 53993 3 100 . 1 . 1 38 38 GLY N N 15 110.859 0.024 . 1 . . . . . 333 G N . 53993 3 101 . 1 . 1 39 39 GLY H H 1 8.486 0.005 . 1 . . . . . 334 G H . 53993 3 102 . 1 . 1 39 39 GLY C C 13 174.895 0.000 . 1 . . . . . 334 G C . 53993 3 103 . 1 . 1 39 39 GLY N N 15 109.043 0.036 . 1 . . . . . 334 G N . 53993 3 104 . 1 . 1 40 40 GLY H H 1 8.489 0.002 . 1 . . . . . 335 G H . 53993 3 105 . 1 . 1 40 40 GLY C C 13 174.048 0.000 . 1 . . . . . 335 G C . 53993 3 106 . 1 . 1 40 40 GLY N N 15 109.003 0.004 . 1 . . . . . 335 G N . 53993 3 107 . 1 . 1 41 41 GLN H H 1 8.392 0.003 . 1 . . . . . 336 Q H . 53993 3 108 . 1 . 1 41 41 GLN C C 13 176.030 0.000 . 1 . . . . . 336 Q C . 53993 3 109 . 1 . 1 41 41 GLN N N 15 120.075 0.003 . 1 . . . . . 336 Q N . 53993 3 110 . 1 . 1 42 42 VAL H H 1 8.370 0.002 . 1 . . . . . 337 V H . 53993 3 111 . 1 . 1 42 42 VAL C C 13 176.022 0.000 . 1 . . . . . 337 V C . 53993 3 112 . 1 . 1 42 42 VAL N N 15 122.308 0.013 . 1 . . . . . 337 V N . 53993 3 113 . 1 . 1 43 43 GLU H H 1 8.652 0.003 . 1 . . . . . 338 E H . 53993 3 114 . 1 . 1 43 43 GLU C C 13 176.548 0.000 . 1 . . . . . 338 E C . 53993 3 115 . 1 . 1 43 43 GLU N N 15 126.045 0.018 . 1 . . . . . 338 E N . 53993 3 116 . 1 . 1 44 44 VAL H H 1 8.483 0.037 . 1 . . . . . 339 V H . 53993 3 117 . 1 . 1 44 44 VAL C C 13 176.172 0.000 . 1 . . . . . 339 V C . 53993 3 118 . 1 . 1 44 44 VAL N N 15 123.720 0.026 . 1 . . . . . 339 V N . 53993 3 119 . 1 . 1 45 45 LYS H H 1 8.658 0.003 . 1 . . . . . 340 K H . 53993 3 120 . 1 . 1 45 45 LYS C C 13 176.508 0.000 . 1 . . . . . 340 K C . 53993 3 121 . 1 . 1 45 45 LYS N N 15 126.858 0.015 . 1 . . . . . 340 K N . 53993 3 122 . 1 . 1 46 46 SER H H 1 8.540 0.002 . 1 . . . . . 341 S H . 53993 3 123 . 1 . 1 46 46 SER C C 13 174.593 0.000 . 1 . . . . . 341 S C . 53993 3 124 . 1 . 1 46 46 SER N N 15 118.122 0.022 . 1 . . . . . 341 S N . 53993 3 125 . 1 . 1 47 47 GLU H H 1 8.666 0.004 . 1 . . . . . 342 E H . 53993 3 126 . 1 . 1 47 47 GLU C C 13 176.356 0.000 . 1 . . . . . 342 E C . 53993 3 127 . 1 . 1 47 47 GLU N N 15 123.760 0.003 . 1 . . . . . 342 E N . 53993 3 128 . 1 . 1 48 48 LYS H H 1 8.463 0.002 . 1 . . . . . 343 K H . 53993 3 129 . 1 . 1 48 48 LYS C C 13 176.533 0.000 . 1 . . . . . 343 K C . 53993 3 130 . 1 . 1 48 48 LYS N N 15 122.677 0.012 . 1 . . . . . 343 K N . 53993 3 131 . 1 . 1 49 49 LEU H H 1 8.381 0.003 . 1 . . . . . 344 L H . 53993 3 132 . 1 . 1 49 49 LEU C C 13 176.892 0.000 . 1 . . . . . 344 L C . 53993 3 133 . 1 . 1 49 49 LEU N N 15 123.948 0.034 . 1 . . . . . 344 L N . 53993 3 134 . 1 . 1 50 50 ASP H H 1 8.445 0.003 . 1 . . . . . 345 D H . 53993 3 135 . 1 . 1 50 50 ASP C C 13 176.134 0.000 . 1 . . . . . 345 D C . 53993 3 136 . 1 . 1 50 50 ASP N N 15 121.523 0.020 . 1 . . . . . 345 D N . 53993 3 137 . 1 . 1 51 51 PHE H H 1 8.335 0.001 . 1 . . . . . 346 F H . 53993 3 138 . 1 . 1 51 51 PHE C C 13 175.351 0.000 . 1 . . . . . 346 F C . 53993 3 139 . 1 . 1 51 51 PHE N N 15 121.333 0.180 . 1 . . . . . 346 F N . 53993 3 140 . 1 . 1 52 52 LYS H H 1 8.329 0.008 . 1 . . . . . 347 K H . 53993 3 141 . 1 . 1 52 52 LYS C C 13 176.346 0.000 . 1 . . . . . 347 K C . 53993 3 142 . 1 . 1 52 52 LYS N N 15 122.246 0.036 . 1 . . . . . 347 K N . 53993 3 143 . 1 . 1 53 53 ASP H H 1 8.253 0.004 . 1 . . . . . 348 D H . 53993 3 144 . 1 . 1 53 53 ASP C C 13 176.183 0.000 . 1 . . . . . 348 D C . 53993 3 145 . 1 . 1 53 53 ASP N N 15 120.345 0.016 . 1 . . . . . 348 D N . 53993 3 146 . 1 . 1 54 54 ARG H H 1 8.154 0.016 . 1 . . . . . 349 R H . 53993 3 147 . 1 . 1 54 54 ARG C C 13 174.978 0.000 . 1 . . . . . 349 R C . 53993 3 148 . 1 . 1 54 54 ARG N N 15 121.116 0.030 . 1 . . . . . 349 R N . 53993 3 149 . 1 . 1 55 55 VAL H H 1 8.250 0.000 . 1 . . . . . 350 V H . 53993 3 150 . 1 . 1 55 55 VAL C C 13 176.486 0.000 . 1 . . . . . 350 V C . 53993 3 151 . 1 . 1 55 55 VAL N N 15 121.775 0.008 . 1 . . . . . 350 V N . 53993 3 152 . 1 . 1 56 56 GLN H H 1 8.642 0.003 . 1 . . . . . 351 Q H . 53993 3 153 . 1 . 1 56 56 GLN C C 13 176.104 0.000 . 1 . . . . . 351 Q C . 53993 3 154 . 1 . 1 56 56 GLN N N 15 124.838 0.017 . 1 . . . . . 351 Q N . 53993 3 155 . 1 . 1 57 57 SER H H 1 8.498 0.002 . 1 . . . . . 352 S H . 53993 3 156 . 1 . 1 57 57 SER C C 13 174.536 0.000 . 1 . . . . . 352 S C . 53993 3 157 . 1 . 1 57 57 SER N N 15 117.980 0.012 . 1 . . . . . 352 S N . 53993 3 158 . 1 . 1 58 58 LYS H H 1 8.500 0.027 . 1 . . . . . 353 K H . 53993 3 159 . 1 . 1 58 58 LYS C C 13 176.506 0.000 . 1 . . . . . 353 K C . 53993 3 160 . 1 . 1 58 58 LYS N N 15 123.864 0.132 . 1 . . . . . 353 K N . 53993 3 161 . 1 . 1 59 59 ILE H H 1 8.310 0.001 . 1 . . . . . 354 I H . 53993 3 162 . 1 . 1 59 59 ILE C C 13 176.970 0.000 . 1 . . . . . 354 I C . 53993 3 163 . 1 . 1 59 59 ILE N N 15 122.174 0.037 . 1 . . . . . 354 I N . 53993 3 164 . 1 . 1 60 60 GLY H H 1 8.676 0.003 . 1 . . . . . 355 G H . 53993 3 165 . 1 . 1 60 60 GLY C C 13 174.194 0.000 . 1 . . . . . 355 G C . 53993 3 166 . 1 . 1 60 60 GLY N N 15 113.916 0.020 . 1 . . . . . 355 G N . 53993 3 167 . 1 . 1 61 61 SER H H 1 8.281 0.003 . 1 . . . . . 356 S H . 53993 3 168 . 1 . 1 61 61 SER C C 13 175.025 0.000 . 1 . . . . . 356 S C . 53993 3 169 . 1 . 1 61 61 SER N N 15 115.757 0.005 . 1 . . . . . 356 S N . 53993 3 170 . 1 . 1 62 62 LEU H H 1 8.554 0.003 . 1 . . . . . 357 L H . 53993 3 171 . 1 . 1 62 62 LEU C C 13 177.330 0.000 . 1 . . . . . 357 L C . 53993 3 172 . 1 . 1 62 62 LEU N N 15 124.233 0.003 . 1 . . . . . 357 L N . 53993 3 173 . 1 . 1 63 63 ASP H H 1 8.296 0.003 . 1 . . . . . 358 D H . 53993 3 174 . 1 . 1 63 63 ASP C C 13 173.774 0.000 . 1 . . . . . 358 D C . 53993 3 175 . 1 . 1 63 63 ASP N N 15 120.404 0.018 . 1 . . . . . 358 D N . 53993 3 176 . 1 . 1 64 64 ASN H H 1 8.359 0.002 . 1 . . . . . 359 N H . 53993 3 177 . 1 . 1 64 64 ASN C C 13 175.161 0.000 . 1 . . . . . 359 N C . 53993 3 178 . 1 . 1 64 64 ASN N N 15 118.817 0.005 . 1 . . . . . 359 N N . 53993 3 179 . 1 . 1 65 65 ILE H H 1 8.153 0.024 . 1 . . . . . 360 I H . 53993 3 180 . 1 . 1 65 65 ILE C C 13 176.538 0.000 . 1 . . . . . 360 I C . 53993 3 181 . 1 . 1 65 65 ILE N N 15 121.109 0.040 . 1 . . . . . 360 I N . 53993 3 182 . 1 . 1 66 66 THR H H 1 8.370 0.002 . 1 . . . . . 361 T H . 53993 3 183 . 1 . 1 66 66 THR C C 13 174.096 0.000 . 1 . . . . . 361 T C . 53993 3 184 . 1 . 1 66 66 THR N N 15 118.349 0.025 . 1 . . . . . 361 T N . 53993 3 185 . 1 . 1 67 67 HIS H H 1 8.480 0.001 . 1 . . . . . 362 H H . 53993 3 186 . 1 . 1 67 67 HIS C C 13 173.737 0.000 . 1 . . . . . 362 H C . 53993 3 187 . 1 . 1 67 67 HIS N N 15 123.523 0.010 . 1 . . . . . 362 H N . 53993 3 188 . 1 . 1 68 68 VAL H H 1 8.277 0.002 . 1 . . . . . 363 V H . 53993 3 189 . 1 . 1 68 68 VAL N N 15 124.401 0.003 . 1 . . . . . 363 V N . 53993 3 190 . 1 . 1 69 69 PRO C C 13 177.737 0.000 . 1 . . . . . 364 P C . 53993 3 191 . 1 . 1 70 70 GLY H H 1 8.758 0.003 . 1 . . . . . 365 G H . 53993 3 192 . 1 . 1 70 70 GLY C C 13 174.737 0.000 . 1 . . . . . 365 G C . 53993 3 193 . 1 . 1 70 70 GLY N N 15 110.518 0.013 . 1 . . . . . 365 G N . 53993 3 194 . 1 . 1 71 71 GLY H H 1 8.505 0.018 . 1 . . . . . 366 G H . 53993 3 195 . 1 . 1 71 71 GLY C C 13 174.563 0.000 . 1 . . . . . 366 G C . 53993 3 196 . 1 . 1 71 71 GLY N N 15 109.037 0.038 . 1 . . . . . 366 G N . 53993 3 197 . 1 . 1 72 72 GLY H H 1 8.490 0.003 . 1 . . . . . 367 G H . 53993 3 198 . 1 . 1 72 72 GLY C C 13 173.971 0.000 . 1 . . . . . 367 G C . 53993 3 199 . 1 . 1 72 72 GLY N N 15 108.983 0.016 . 1 . . . . . 367 G N . 53993 3 200 . 1 . 1 73 73 ASN H H 1 8.470 0.003 . 1 . . . . . 368 N H . 53993 3 201 . 1 . 1 73 73 ASN C C 13 175.319 0.000 . 1 . . . . . 368 N C . 53993 3 202 . 1 . 1 73 73 ASN N N 15 118.690 0.002 . 1 . . . . . 368 N N . 53993 3 203 . 1 . 1 74 74 LYS H H 1 8.425 0.004 . 1 . . . . . 369 K H . 53993 3 204 . 1 . 1 74 74 LYS C C 13 176.461 0.000 . 1 . . . . . 369 K C . 53993 3 205 . 1 . 1 74 74 LYS N N 15 122.192 0.012 . 1 . . . . . 369 K N . 53993 3 206 . 1 . 1 75 75 LYS H H 1 8.495 0.015 . 1 . . . . . 370 K H . 53993 3 207 . 1 . 1 75 75 LYS C C 13 175.076 0.000 . 1 . . . . . 370 K C . 53993 3 208 . 1 . 1 75 75 LYS N N 15 123.748 0.031 . 1 . . . . . 370 K N . 53993 3 209 . 1 . 1 76 76 ILE H H 1 8.343 0.005 . 1 . . . . . 371 I H . 53993 3 210 . 1 . 1 76 76 ILE C C 13 176.317 0.000 . 1 . . . . . 371 I C . 53993 3 211 . 1 . 1 76 76 ILE N N 15 123.550 0.000 . 1 . . . . . 371 I N . 53993 3 212 . 1 . 1 77 77 GLU H H 1 8.689 0.003 . 1 . . . . . 372 E H . 53993 3 213 . 1 . 1 77 77 GLU C C 13 175.737 0.000 . 1 . . . . . 372 E C . 53993 3 214 . 1 . 1 77 77 GLU N N 15 126.358 0.025 . 1 . . . . . 372 E N . 53993 3 215 . 1 . 1 78 78 THR H H 1 8.349 0.006 . 1 . . . . . 373 T H . 53993 3 216 . 1 . 1 78 78 THR C C 13 174.518 0.000 . 1 . . . . . 373 T C . 53993 3 217 . 1 . 1 78 78 THR N N 15 115.855 0.019 . 1 . . . . . 373 T N . 53993 3 218 . 1 . 1 79 79 HIS H H 1 8.483 0.002 . 1 . . . . . 374 H H . 53993 3 219 . 1 . 1 79 79 HIS C C 13 176.745 0.000 . 1 . . . . . 374 H C . 53993 3 220 . 1 . 1 79 79 HIS N N 15 122.131 0.007 . 1 . . . . . 374 H N . 53993 3 221 . 1 . 1 80 80 LYS H H 1 8.303 0.002 . 1 . . . . . 375 K H . 53993 3 222 . 1 . 1 80 80 LYS C C 13 177.036 0.000 . 1 . . . . . 375 K C . 53993 3 223 . 1 . 1 80 80 LYS N N 15 122.799 0.027 . 1 . . . . . 375 K N . 53993 3 224 . 1 . 1 81 81 LEU H H 1 8.442 0.002 . 1 . . . . . 376 L H . 53993 3 225 . 1 . 1 81 81 LEU C C 13 177.551 0.000 . 1 . . . . . 376 L C . 53993 3 226 . 1 . 1 81 81 LEU N N 15 123.641 0.122 . 1 . . . . . 376 L N . 53993 3 227 . 1 . 1 82 82 THR H H 1 8.191 0.001 . 1 . . . . . 377 T H . 53993 3 228 . 1 . 1 82 82 THR C C 13 174.187 0.000 . 1 . . . . . 377 T C . 53993 3 229 . 1 . 1 82 82 THR N N 15 115.039 0.016 . 1 . . . . . 377 T N . 53993 3 230 . 1 . 1 83 83 PHE H H 1 8.418 0.001 . 1 . . . . . 378 F H . 53993 3 231 . 1 . 1 83 83 PHE C C 13 175.649 0.000 . 1 . . . . . 378 F C . 53993 3 232 . 1 . 1 83 83 PHE N N 15 123.075 0.012 . 1 . . . . . 378 F N . 53993 3 233 . 1 . 1 84 84 ARG H H 1 8.278 0.001 . 1 . . . . . 379 R H . 53993 3 234 . 1 . 1 84 84 ARG C C 13 176.038 0.000 . 1 . . . . . 379 R C . 53993 3 235 . 1 . 1 84 84 ARG N N 15 123.448 0.035 . 1 . . . . . 379 R N . 53993 3 236 . 1 . 1 85 85 GLU H H 1 8.491 0.006 . 1 . . . . . 380 E H . 53993 3 237 . 1 . 1 85 85 GLU C C 13 176.513 0.000 . 1 . . . . . 380 E C . 53993 3 238 . 1 . 1 85 85 GLU N N 15 122.406 0.013 . 1 . . . . . 380 E N . 53993 3 239 . 1 . 1 86 86 ASN H H 1 8.608 0.003 . 1 . . . . . 381 N H . 53993 3 240 . 1 . 1 86 86 ASN C C 13 175.203 0.000 . 1 . . . . . 381 N C . 53993 3 241 . 1 . 1 86 86 ASN N N 15 120.008 0.004 . 1 . . . . . 381 N N . 53993 3 242 . 1 . 1 87 87 ALA H H 1 8.346 0.003 . 1 . . . . . 382 A H . 53993 3 243 . 1 . 1 87 87 ALA C C 13 177.926 0.000 . 1 . . . . . 382 A C . 53993 3 244 . 1 . 1 87 87 ALA N N 15 124.549 0.002 . 1 . . . . . 382 A N . 53993 3 245 . 1 . 1 88 88 LYS H H 1 8.311 0.004 . 1 . . . . . 383 K H . 53993 3 246 . 1 . 1 88 88 LYS C C 13 176.553 0.000 . 1 . . . . . 383 K C . 53993 3 247 . 1 . 1 88 88 LYS N N 15 120.576 0.006 . 1 . . . . . 383 K N . 53993 3 248 . 1 . 1 89 89 ALA H H 1 8.346 0.003 . 1 . . . . . 384 A H . 53993 3 249 . 1 . 1 89 89 ALA C C 13 177.915 0.000 . 1 . . . . . 384 A C . 53993 3 250 . 1 . 1 89 89 ALA N N 15 125.399 0.011 . 1 . . . . . 384 A N . 53993 3 251 . 1 . 1 90 90 LYS H H 1 8.468 0.003 . 1 . . . . . 385 K H . 53993 3 252 . 1 . 1 90 90 LYS C C 13 176.984 0.000 . 1 . . . . . 385 K C . 53993 3 253 . 1 . 1 90 90 LYS N N 15 121.276 0.006 . 1 . . . . . 385 K N . 53993 3 254 . 1 . 1 91 91 THR H H 1 8.271 0.004 . 1 . . . . . 386 T H . 53993 3 255 . 1 . 1 91 91 THR C C 13 174.215 0.000 . 1 . . . . . 386 T C . 53993 3 256 . 1 . 1 91 91 THR N N 15 115.079 0.015 . 1 . . . . . 386 T N . 53993 3 257 . 1 . 1 92 92 ASP H H 1 8.424 0.003 . 1 . . . . . 387 D H . 53993 3 258 . 1 . 1 92 92 ASP C C 13 176.860 0.000 . 1 . . . . . 387 D C . 53993 3 259 . 1 . 1 92 92 ASP N N 15 122.763 0.008 . 1 . . . . . 387 D N . 53993 3 260 . 1 . 1 93 93 HIS H H 1 8.598 0.005 . 1 . . . . . 388 H H . 53993 3 261 . 1 . 1 93 93 HIS C C 13 175.839 0.000 . 1 . . . . . 388 H C . 53993 3 262 . 1 . 1 93 93 HIS N N 15 119.519 0.010 . 1 . . . . . 388 H N . 53993 3 263 . 1 . 1 94 94 GLY H H 1 8.535 0.003 . 1 . . . . . 389 G H . 53993 3 264 . 1 . 1 94 94 GLY C C 13 173.983 0.000 . 1 . . . . . 389 G C . 53993 3 265 . 1 . 1 94 94 GLY N N 15 110.370 0.009 . 1 . . . . . 389 G N . 53993 3 266 . 1 . 1 95 95 ALA H H 1 8.312 0.026 . 1 . . . . . 390 A H . 53993 3 267 . 1 . 1 95 95 ALA C C 13 176.996 0.000 . 1 . . . . . 390 A C . 53993 3 268 . 1 . 1 95 95 ALA N N 15 124.880 0.133 . 1 . . . . . 390 A N . 53993 3 269 . 1 . 1 96 96 GLU H H 1 8.136 0.001 . 1 . . . . . 391 E H . 53993 3 270 . 1 . 1 96 96 GLU N N 15 125.582 0.012 . 1 . . . . . 391 E N . 53993 3 stop_ save_ ################################### # 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_4 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4 _Assigned_chem_shift_list.Entry_ID 53993 _Assigned_chem_shift_list.ID 4 _Assigned_chem_shift_list.Name assigned_chemical_shifts_4to1 _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 7 '2D 1H-15N HSQC' . . . 53993 4 8 '3D HNCO' . . . 53993 4 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 1 $software_1 . . 53993 4 2 $software_2 . . 53993 4 3 $software_3 . . 53993 4 4 $software_4 . . 53993 4 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 2 2 ILE C C 13 175.701 0.000 . 1 . . . . . 297 I C . 53993 4 2 . 1 . 1 3 3 LYS H H 1 8.572 0.003 . 1 . . . . . 298 K H . 53993 4 3 . 1 . 1 3 3 LYS C C 13 175.864 0.000 . 1 . . . . . 298 K C . 53993 4 4 . 1 . 1 3 3 LYS N N 15 126.853 0.020 . 1 . . . . . 298 K N . 53993 4 5 . 1 . 1 4 4 HIS H H 1 8.566 0.001 . 1 . . . . . 299 H H . 53993 4 6 . 1 . 1 4 4 HIS C C 13 174.858 0.000 . 1 . . . . . 299 H C . 53993 4 7 . 1 . 1 4 4 HIS N N 15 123.356 0.020 . 1 . . . . . 299 H N . 53993 4 8 . 1 . 1 5 5 VAL H H 1 8.288 0.001 . 1 . . . . . 300 V H . 53993 4 9 . 1 . 1 5 5 VAL N N 15 124.781 0.018 . 1 . . . . . 300 V N . 53993 4 10 . 1 . 1 6 6 PRO C C 13 177.727 0.000 . 1 . . . . . 301 P C . 53993 4 11 . 1 . 1 7 7 GLY H H 1 8.781 0.004 . 1 . . . . . 302 G H . 53993 4 12 . 1 . 1 7 7 GLY C C 13 174.972 0.000 . 1 . . . . . 302 G C . 53993 4 13 . 1 . 1 7 7 GLY N N 15 110.841 0.008 . 1 . . . . . 302 G N . 53993 4 14 . 1 . 1 8 8 GLY H H 1 8.448 0.002 . 1 . . . . . 303 G H . 53993 4 15 . 1 . 1 8 8 GLY C C 13 175.028 0.000 . 1 . . . . . 303 G C . 53993 4 16 . 1 . 1 8 8 GLY N N 15 108.923 0.017 . 1 . . . . . 303 G N . 53993 4 17 . 1 . 1 9 9 GLY H H 1 8.484 0.004 . 1 . . . . . 304 G H . 53993 4 18 . 1 . 1 9 9 GLY C C 13 174.154 0.000 . 1 . . . . . 304 G C . 53993 4 19 . 1 . 1 9 9 GLY N N 15 109.035 0.035 . 1 . . . . . 304 G N . 53993 4 20 . 1 . 1 10 10 SER H H 1 8.366 0.003 . 1 . . . . . 305 S H . 53993 4 21 . 1 . 1 10 10 SER C C 13 174.558 0.000 . 1 . . . . . 305 S C . 53993 4 22 . 1 . 1 10 10 SER N N 15 115.832 0.005 . 1 . . . . . 305 S N . 53993 4 23 . 1 . 1 11 11 VAL H H 1 8.328 0.000 . 1 . . . . . 306 V H . 53993 4 24 . 1 . 1 11 11 VAL C C 13 175.991 0.000 . 1 . . . . . 306 V C . 53993 4 25 . 1 . 1 11 11 VAL N N 15 122.198 0.068 . 1 . . . . . 306 V N . 53993 4 26 . 1 . 1 12 12 GLN H H 1 8.589 0.003 . 1 . . . . . 307 Q H . 53993 4 27 . 1 . 1 12 12 GLN C C 13 175.617 0.000 . 1 . . . . . 307 Q C . 53993 4 28 . 1 . 1 12 12 GLN N N 15 125.333 0.017 . 1 . . . . . 307 Q N . 53993 4 29 . 1 . 1 13 13 ILE H H 1 8.385 0.005 . 1 . . . . . 308 I H . 53993 4 30 . 1 . 1 13 13 ILE C C 13 175.059 0.000 . 1 . . . . . 308 I C . 53993 4 31 . 1 . 1 13 13 ILE N N 15 124.225 0.206 . 1 . . . . . 308 I N . 53993 4 32 . 1 . 1 14 14 VAL H H 1 8.303 0.002 . 1 . . . . . 309 V H . 53993 4 33 . 1 . 1 14 14 VAL C C 13 175.495 0.000 . 1 . . . . . 309 V C . 53993 4 34 . 1 . 1 14 14 VAL N N 15 125.319 0.024 . 1 . . . . . 309 V N . 53993 4 35 . 1 . 1 15 15 TYR H H 1 8.619 0.002 . 1 . . . . . 310 Y H . 53993 4 36 . 1 . 1 15 15 TYR C C 13 175.783 0.000 . 1 . . . . . 310 Y C . 53993 4 37 . 1 . 1 15 15 TYR N N 15 126.803 0.015 . 1 . . . . . 310 Y N . 53993 4 38 . 1 . 1 16 16 LYS H H 1 8.361 0.003 . 1 . . . . . 311 K H . 53993 4 39 . 1 . 1 16 16 LYS N N 15 126.446 0.028 . 1 . . . . . 311 K N . 53993 4 40 . 1 . 1 17 17 PRO C C 13 176.894 0.000 . 1 . . . . . 312 P C . 53993 4 41 . 1 . 1 18 18 VAL H H 1 8.326 0.017 . 1 . . . . . 313 V H . 53993 4 42 . 1 . 1 18 18 VAL C C 13 175.657 0.000 . 1 . . . . . 313 V C . 53993 4 43 . 1 . 1 18 18 VAL N N 15 121.072 0.039 . 1 . . . . . 313 V N . 53993 4 44 . 1 . 1 19 19 ASP H H 1 8.534 0.002 . 1 . . . . . 314 D H . 53993 4 45 . 1 . 1 19 19 ASP C C 13 176.742 0.000 . 1 . . . . . 314 D C . 53993 4 46 . 1 . 1 19 19 ASP N N 15 124.797 0.012 . 1 . . . . . 314 D N . 53993 4 47 . 1 . 1 20 20 LEU H H 1 8.712 0.001 . 1 . . . . . 315 L H . 53993 4 48 . 1 . 1 20 20 LEU C C 13 178.143 0.000 . 1 . . . . . 315 L C . 53993 4 49 . 1 . 1 20 20 LEU N N 15 125.902 0.010 . 1 . . . . . 315 L N . 53993 4 50 . 1 . 1 21 21 SER H H 1 8.526 0.004 . 1 . . . . . 316 S H . 53993 4 51 . 1 . 1 21 21 SER C C 13 175.047 0.000 . 1 . . . . . 316 S C . 53993 4 52 . 1 . 1 21 21 SER N N 15 116.365 0.017 . 1 . . . . . 316 S N . 53993 4 53 . 1 . 1 22 22 LYS H H 1 8.043 0.002 . 1 . . . . . 317 K H . 53993 4 54 . 1 . 1 22 22 LYS C C 13 176.709 0.000 . 1 . . . . . 317 K C . 53993 4 55 . 1 . 1 22 22 LYS N N 15 122.148 0.006 . 1 . . . . . 317 K N . 53993 4 56 . 1 . 1 23 23 VAL H H 1 8.007 0.003 . 1 . . . . . 318 V H . 53993 4 57 . 1 . 1 23 23 VAL C C 13 176.663 0.000 . 1 . . . . . 318 V C . 53993 4 58 . 1 . 1 23 23 VAL N N 15 121.192 0.026 . 1 . . . . . 318 V N . 53993 4 59 . 1 . 1 24 24 THR H H 1 8.380 0.003 . 1 . . . . . 319 T H . 53993 4 60 . 1 . 1 24 24 THR C C 13 175.939 0.000 . 1 . . . . . 319 T C . 53993 4 61 . 1 . 1 24 24 THR N N 15 118.117 0.018 . 1 . . . . . 319 T N . 53993 4 62 . 1 . 1 25 25 SER H H 1 8.386 0.003 . 1 . . . . . 320 S H . 53993 4 63 . 1 . 1 25 25 SER C C 13 174.714 0.000 . 1 . . . . . 320 S C . 53993 4 64 . 1 . 1 25 25 SER N N 15 118.740 0.003 . 1 . . . . . 320 S N . 53993 4 65 . 1 . 1 26 26 LYS H H 1 8.575 0.008 . 1 . . . . . 321 K H . 53993 4 66 . 1 . 1 26 26 LYS C C 13 176.107 0.000 . 1 . . . . . 321 K C . 53993 4 67 . 1 . 1 26 26 LYS N N 15 123.645 0.049 . 1 . . . . . 321 K N . 53993 4 68 . 1 . 1 27 27 CYS H H 1 8.452 0.002 . 1 . . . . . 322 C H . 53993 4 69 . 1 . 1 27 27 CYS C C 13 175.360 0.000 . 1 . . . . . 322 C C . 53993 4 70 . 1 . 1 27 27 CYS N N 15 120.280 0.007 . 1 . . . . . 322 C N . 53993 4 71 . 1 . 1 28 28 GLY H H 1 8.601 0.002 . 1 . . . . . 323 G H . 53993 4 72 . 1 . 1 28 28 GLY C C 13 176.629 0.000 . 1 . . . . . 323 G C . 53993 4 73 . 1 . 1 28 28 GLY N N 15 111.149 0.005 . 1 . . . . . 323 G N . 53993 4 74 . 1 . 1 29 29 SER H H 1 8.384 0.005 . 1 . . . . . 324 S H . 53993 4 75 . 1 . 1 29 29 SER C C 13 176.183 0.000 . 1 . . . . . 324 S C . 53993 4 76 . 1 . 1 29 29 SER N N 15 116.196 0.006 . 1 . . . . . 324 S N . 53993 4 77 . 1 . 1 30 30 LEU H H 1 8.518 0.002 . 1 . . . . . 325 L H . 53993 4 78 . 1 . 1 30 30 LEU C C 13 178.010 0.000 . 1 . . . . . 325 L C . 53993 4 79 . 1 . 1 30 30 LEU N N 15 124.080 0.005 . 1 . . . . . 325 L N . 53993 4 80 . 1 . 1 31 31 GLY H H 1 8.439 0.000 . 1 . . . . . 326 G H . 53993 4 81 . 1 . 1 31 31 GLY C C 13 176.497 0.000 . 1 . . . . . 326 G C . 53993 4 82 . 1 . 1 31 31 GLY N N 15 109.000 0.037 . 1 . . . . . 326 G N . 53993 4 83 . 1 . 1 32 32 ASN H H 1 8.378 0.003 . 1 . . . . . 327 N H . 53993 4 84 . 1 . 1 32 32 ASN C C 13 175.432 0.000 . 1 . . . . . 327 N C . 53993 4 85 . 1 . 1 32 32 ASN N N 15 118.954 0.019 . 1 . . . . . 327 N N . 53993 4 86 . 1 . 1 33 33 ILE H H 1 8.132 0.003 . 1 . . . . . 328 I H . 53993 4 87 . 1 . 1 33 33 ILE C C 13 175.901 0.000 . 1 . . . . . 328 I C . 53993 4 88 . 1 . 1 33 33 ILE N N 15 120.794 0.011 . 1 . . . . . 328 I N . 53993 4 89 . 1 . 1 34 34 HIS H H 1 8.421 0.006 . 1 . . . . . 329 H H . 53993 4 90 . 1 . 1 34 34 HIS C C 13 176.894 0.000 . 1 . . . . . 329 H C . 53993 4 91 . 1 . 1 34 34 HIS N N 15 123.273 0.015 . 1 . . . . . 329 H N . 53993 4 92 . 1 . 1 35 35 HIS H H 1 8.335 0.008 . 1 . . . . . 330 H H . 53993 4 93 . 1 . 1 35 35 HIS C C 13 175.602 0.000 . 1 . . . . . 330 H C . 53993 4 94 . 1 . 1 35 35 HIS N N 15 121.316 0.205 . 1 . . . . . 330 H N . 53993 4 95 . 1 . 1 36 36 LYS H H 1 8.445 0.002 . 1 . . . . . 331 K H . 53993 4 96 . 1 . 1 36 36 LYS N N 15 124.859 0.010 . 1 . . . . . 331 K N . 53993 4 97 . 1 . 1 37 37 PRO C C 13 177.727 0.000 . 1 . . . . . 332 P C . 53993 4 98 . 1 . 1 38 38 GLY H H 1 8.785 0.000 . 1 . . . . . 333 G H . 53993 4 99 . 1 . 1 38 38 GLY C C 13 174.879 0.000 . 1 . . . . . 333 G C . 53993 4 100 . 1 . 1 38 38 GLY N N 15 110.852 0.020 . 1 . . . . . 333 G N . 53993 4 101 . 1 . 1 39 39 GLY H H 1 8.488 0.000 . 1 . . . . . 334 G H . 53993 4 102 . 1 . 1 39 39 GLY C C 13 174.879 0.000 . 1 . . . . . 334 G C . 53993 4 103 . 1 . 1 39 39 GLY N N 15 109.001 0.005 . 1 . . . . . 334 G N . 53993 4 104 . 1 . 1 40 40 GLY H H 1 8.488 0.000 . 1 . . . . . 335 G H . 53993 4 105 . 1 . 1 40 40 GLY C C 13 174.045 0.000 . 1 . . . . . 335 G C . 53993 4 106 . 1 . 1 40 40 GLY N N 15 109.001 0.005 . 1 . . . . . 335 G N . 53993 4 107 . 1 . 1 41 41 GLN H H 1 8.392 0.003 . 1 . . . . . 336 Q H . 53993 4 108 . 1 . 1 41 41 GLN C C 13 176.029 0.000 . 1 . . . . . 336 Q C . 53993 4 109 . 1 . 1 41 41 GLN N N 15 120.072 0.004 . 1 . . . . . 336 Q N . 53993 4 110 . 1 . 1 42 42 VAL H H 1 8.370 0.002 . 1 . . . . . 337 V H . 53993 4 111 . 1 . 1 42 42 VAL C C 13 176.020 0.000 . 1 . . . . . 337 V C . 53993 4 112 . 1 . 1 42 42 VAL N N 15 122.305 0.011 . 1 . . . . . 337 V N . 53993 4 113 . 1 . 1 43 43 GLU H H 1 8.651 0.003 . 1 . . . . . 338 E H . 53993 4 114 . 1 . 1 43 43 GLU C C 13 176.537 0.000 . 1 . . . . . 338 E C . 53993 4 115 . 1 . 1 43 43 GLU N N 15 126.040 0.015 . 1 . . . . . 338 E N . 53993 4 116 . 1 . 1 44 44 VAL H H 1 8.474 0.046 . 1 . . . . . 339 V H . 53993 4 117 . 1 . 1 44 44 VAL C C 13 176.173 0.000 . 1 . . . . . 339 V C . 53993 4 118 . 1 . 1 44 44 VAL N N 15 123.715 0.024 . 1 . . . . . 339 V N . 53993 4 119 . 1 . 1 45 45 LYS H H 1 8.657 0.003 . 1 . . . . . 340 K H . 53993 4 120 . 1 . 1 45 45 LYS C C 13 176.506 0.000 . 1 . . . . . 340 K C . 53993 4 121 . 1 . 1 45 45 LYS N N 15 126.854 0.012 . 1 . . . . . 340 K N . 53993 4 122 . 1 . 1 46 46 SER H H 1 8.539 0.002 . 1 . . . . . 341 S H . 53993 4 123 . 1 . 1 46 46 SER C C 13 174.591 0.000 . 1 . . . . . 341 S C . 53993 4 124 . 1 . 1 46 46 SER N N 15 118.123 0.023 . 1 . . . . . 341 S N . 53993 4 125 . 1 . 1 47 47 GLU H H 1 8.667 0.003 . 1 . . . . . 342 E H . 53993 4 126 . 1 . 1 47 47 GLU C C 13 176.357 0.000 . 1 . . . . . 342 E C . 53993 4 127 . 1 . 1 47 47 GLU N N 15 123.758 0.003 . 1 . . . . . 342 E N . 53993 4 128 . 1 . 1 48 48 LYS H H 1 8.461 0.003 . 1 . . . . . 343 K H . 53993 4 129 . 1 . 1 48 48 LYS C C 13 176.533 0.000 . 1 . . . . . 343 K C . 53993 4 130 . 1 . 1 48 48 LYS N N 15 122.672 0.009 . 1 . . . . . 343 K N . 53993 4 131 . 1 . 1 49 49 LEU H H 1 8.381 0.003 . 1 . . . . . 344 L H . 53993 4 132 . 1 . 1 49 49 LEU C C 13 176.887 0.000 . 1 . . . . . 344 L C . 53993 4 133 . 1 . 1 49 49 LEU N N 15 123.963 0.023 . 1 . . . . . 344 L N . 53993 4 134 . 1 . 1 50 50 ASP H H 1 8.445 0.003 . 1 . . . . . 345 D H . 53993 4 135 . 1 . 1 50 50 ASP C C 13 176.133 0.000 . 1 . . . . . 345 D C . 53993 4 136 . 1 . 1 50 50 ASP N N 15 121.519 0.023 . 1 . . . . . 345 D N . 53993 4 137 . 1 . 1 51 51 PHE H H 1 8.335 0.002 . 1 . . . . . 346 F H . 53993 4 138 . 1 . 1 51 51 PHE C C 13 175.409 0.000 . 1 . . . . . 346 F C . 53993 4 139 . 1 . 1 51 51 PHE N N 15 121.329 0.178 . 1 . . . . . 346 F N . 53993 4 140 . 1 . 1 52 52 LYS H H 1 8.328 0.005 . 1 . . . . . 347 K H . 53993 4 141 . 1 . 1 52 52 LYS C C 13 176.345 0.000 . 1 . . . . . 347 K C . 53993 4 142 . 1 . 1 52 52 LYS N N 15 122.263 0.015 . 1 . . . . . 347 K N . 53993 4 143 . 1 . 1 53 53 ASP H H 1 8.253 0.003 . 1 . . . . . 348 D H . 53993 4 144 . 1 . 1 53 53 ASP C C 13 176.185 0.000 . 1 . . . . . 348 D C . 53993 4 145 . 1 . 1 53 53 ASP N N 15 120.346 0.019 . 1 . . . . . 348 D N . 53993 4 146 . 1 . 1 54 54 ARG H H 1 8.155 0.019 . 1 . . . . . 349 R H . 53993 4 147 . 1 . 1 54 54 ARG C C 13 175.011 0.000 . 1 . . . . . 349 R C . 53993 4 148 . 1 . 1 54 54 ARG N N 15 121.126 0.023 . 1 . . . . . 349 R N . 53993 4 149 . 1 . 1 55 55 VAL H H 1 8.237 0.005 . 1 . . . . . 350 V H . 53993 4 150 . 1 . 1 55 55 VAL C C 13 176.486 0.000 . 1 . . . . . 350 V C . 53993 4 151 . 1 . 1 55 55 VAL N N 15 121.817 0.007 . 1 . . . . . 350 V N . 53993 4 152 . 1 . 1 56 56 GLN H H 1 8.642 0.002 . 1 . . . . . 351 Q H . 53993 4 153 . 1 . 1 56 56 GLN C C 13 176.103 0.000 . 1 . . . . . 351 Q C . 53993 4 154 . 1 . 1 56 56 GLN N N 15 124.831 0.016 . 1 . . . . . 351 Q N . 53993 4 155 . 1 . 1 57 57 SER H H 1 8.498 0.002 . 1 . . . . . 352 S H . 53993 4 156 . 1 . 1 57 57 SER C C 13 174.535 0.000 . 1 . . . . . 352 S C . 53993 4 157 . 1 . 1 57 57 SER N N 15 117.976 0.011 . 1 . . . . . 352 S N . 53993 4 158 . 1 . 1 58 58 LYS H H 1 8.500 0.027 . 1 . . . . . 353 K H . 53993 4 159 . 1 . 1 58 58 LYS C C 13 176.504 0.000 . 1 . . . . . 353 K C . 53993 4 160 . 1 . 1 58 58 LYS N N 15 123.862 0.131 . 1 . . . . . 353 K N . 53993 4 161 . 1 . 1 59 59 ILE H H 1 8.311 0.000 . 1 . . . . . 354 I H . 53993 4 162 . 1 . 1 59 59 ILE C C 13 176.967 0.000 . 1 . . . . . 354 I C . 53993 4 163 . 1 . 1 59 59 ILE N N 15 122.169 0.034 . 1 . . . . . 354 I N . 53993 4 164 . 1 . 1 60 60 GLY H H 1 8.677 0.003 . 1 . . . . . 355 G H . 53993 4 165 . 1 . 1 60 60 GLY C C 13 174.193 0.000 . 1 . . . . . 355 G C . 53993 4 166 . 1 . 1 60 60 GLY N N 15 113.918 0.018 . 1 . . . . . 355 G N . 53993 4 167 . 1 . 1 61 61 SER H H 1 8.282 0.003 . 1 . . . . . 356 S H . 53993 4 168 . 1 . 1 61 61 SER C C 13 175.025 0.000 . 1 . . . . . 356 S C . 53993 4 169 . 1 . 1 61 61 SER N N 15 115.758 0.006 . 1 . . . . . 356 S N . 53993 4 170 . 1 . 1 62 62 LEU H H 1 8.556 0.002 . 1 . . . . . 357 L H . 53993 4 171 . 1 . 1 62 62 LEU C C 13 177.328 0.000 . 1 . . . . . 357 L C . 53993 4 172 . 1 . 1 62 62 LEU N N 15 124.232 0.001 . 1 . . . . . 357 L N . 53993 4 173 . 1 . 1 63 63 ASP H H 1 8.296 0.003 . 1 . . . . . 358 D H . 53993 4 174 . 1 . 1 63 63 ASP C C 13 173.772 0.000 . 1 . . . . . 358 D C . 53993 4 175 . 1 . 1 63 63 ASP N N 15 120.398 0.018 . 1 . . . . . 358 D N . 53993 4 176 . 1 . 1 64 64 ASN H H 1 8.357 0.002 . 1 . . . . . 359 N H . 53993 4 177 . 1 . 1 64 64 ASN C C 13 175.156 0.000 . 1 . . . . . 359 N C . 53993 4 178 . 1 . 1 64 64 ASN N N 15 118.811 0.000 . 1 . . . . . 359 N N . 53993 4 179 . 1 . 1 65 65 ILE H H 1 8.155 0.025 . 1 . . . . . 360 I H . 53993 4 180 . 1 . 1 65 65 ILE C C 13 176.535 0.000 . 1 . . . . . 360 I C . 53993 4 181 . 1 . 1 65 65 ILE N N 15 121.118 0.029 . 1 . . . . . 360 I N . 53993 4 182 . 1 . 1 66 66 THR H H 1 8.369 0.002 . 1 . . . . . 361 T H . 53993 4 183 . 1 . 1 66 66 THR C C 13 174.093 0.000 . 1 . . . . . 361 T C . 53993 4 184 . 1 . 1 66 66 THR N N 15 118.340 0.020 . 1 . . . . . 361 T N . 53993 4 185 . 1 . 1 67 67 HIS H H 1 8.475 0.001 . 1 . . . . . 362 H H . 53993 4 186 . 1 . 1 67 67 HIS C C 13 173.743 0.000 . 1 . . . . . 362 H C . 53993 4 187 . 1 . 1 67 67 HIS N N 15 123.611 0.001 . 1 . . . . . 362 H N . 53993 4 188 . 1 . 1 68 68 VAL H H 1 8.271 0.001 . 1 . . . . . 363 V H . 53993 4 189 . 1 . 1 68 68 VAL N N 15 124.391 0.002 . 1 . . . . . 363 V N . 53993 4 190 . 1 . 1 69 69 PRO C C 13 177.738 0.000 . 1 . . . . . 364 P C . 53993 4 191 . 1 . 1 70 70 GLY H H 1 8.758 0.002 . 1 . . . . . 365 G H . 53993 4 192 . 1 . 1 70 70 GLY C C 13 174.736 0.000 . 1 . . . . . 365 G C . 53993 4 193 . 1 . 1 70 70 GLY N N 15 110.513 0.014 . 1 . . . . . 365 G N . 53993 4 194 . 1 . 1 71 71 GLY H H 1 8.505 0.018 . 1 . . . . . 366 G H . 53993 4 195 . 1 . 1 71 71 GLY C C 13 174.557 0.000 . 1 . . . . . 366 G C . 53993 4 196 . 1 . 1 71 71 GLY N N 15 109.035 0.037 . 1 . . . . . 366 G N . 53993 4 197 . 1 . 1 72 72 GLY H H 1 8.489 0.003 . 1 . . . . . 367 G H . 53993 4 198 . 1 . 1 72 72 GLY C C 13 173.961 0.000 . 1 . . . . . 367 G C . 53993 4 199 . 1 . 1 72 72 GLY N N 15 108.982 0.015 . 1 . . . . . 367 G N . 53993 4 200 . 1 . 1 73 73 ASN H H 1 8.472 0.003 . 1 . . . . . 368 N H . 53993 4 201 . 1 . 1 73 73 ASN C C 13 175.295 0.000 . 1 . . . . . 368 N C . 53993 4 202 . 1 . 1 73 73 ASN N N 15 118.694 0.005 . 1 . . . . . 368 N N . 53993 4 203 . 1 . 1 74 74 LYS H H 1 8.431 0.002 . 1 . . . . . 369 K H . 53993 4 204 . 1 . 1 74 74 LYS C C 13 176.391 0.000 . 1 . . . . . 369 K C . 53993 4 205 . 1 . 1 74 74 LYS N N 15 122.229 0.014 . 1 . . . . . 369 K N . 53993 4 206 . 1 . 1 75 75 LYS H H 1 8.476 0.003 . 1 . . . . . 370 K H . 53993 4 207 . 1 . 1 75 75 LYS C C 13 175.071 0.000 . 1 . . . . . 370 K C . 53993 4 208 . 1 . 1 75 75 LYS N N 15 123.646 0.059 . 1 . . . . . 370 K N . 53993 4 209 . 1 . 1 76 76 ILE H H 1 8.347 0.005 . 1 . . . . . 371 I H . 53993 4 210 . 1 . 1 76 76 ILE C C 13 176.327 0.000 . 1 . . . . . 371 I C . 53993 4 211 . 1 . 1 76 76 ILE N N 15 123.562 0.009 . 1 . . . . . 371 I N . 53993 4 212 . 1 . 1 77 77 GLU H H 1 8.688 0.003 . 1 . . . . . 372 E H . 53993 4 213 . 1 . 1 77 77 GLU C C 13 175.733 0.000 . 1 . . . . . 372 E C . 53993 4 214 . 1 . 1 77 77 GLU N N 15 126.332 0.017 . 1 . . . . . 372 E N . 53993 4 215 . 1 . 1 78 78 THR H H 1 8.348 0.006 . 1 . . . . . 373 T H . 53993 4 216 . 1 . 1 78 78 THR C C 13 174.531 0.000 . 1 . . . . . 373 T C . 53993 4 217 . 1 . 1 78 78 THR N N 15 115.839 0.011 . 1 . . . . . 373 T N . 53993 4 218 . 1 . 1 79 79 HIS H H 1 8.477 0.012 . 1 . . . . . 374 H H . 53993 4 219 . 1 . 1 79 79 HIS C C 13 176.743 0.000 . 1 . . . . . 374 H C . 53993 4 220 . 1 . 1 79 79 HIS N N 15 122.213 0.016 . 1 . . . . . 374 H N . 53993 4 221 . 1 . 1 80 80 LYS H H 1 8.305 0.002 . 1 . . . . . 375 K H . 53993 4 222 . 1 . 1 80 80 LYS C C 13 176.961 0.000 . 1 . . . . . 375 K C . 53993 4 223 . 1 . 1 80 80 LYS N N 15 122.802 0.024 . 1 . . . . . 375 K N . 53993 4 224 . 1 . 1 81 81 LEU H H 1 8.434 0.009 . 1 . . . . . 376 L H . 53993 4 225 . 1 . 1 81 81 LEU C C 13 177.371 0.000 . 1 . . . . . 376 L C . 53993 4 226 . 1 . 1 81 81 LEU N N 15 123.779 0.078 . 1 . . . . . 376 L N . 53993 4 227 . 1 . 1 82 82 THR H H 1 8.209 0.012 . 1 . . . . . 377 T H . 53993 4 228 . 1 . 1 82 82 THR C C 13 174.228 0.000 . 1 . . . . . 377 T C . 53993 4 229 . 1 . 1 82 82 THR N N 15 115.060 0.051 . 1 . . . . . 377 T N . 53993 4 230 . 1 . 1 83 83 PHE H H 1 8.418 0.003 . 1 . . . . . 378 F H . 53993 4 231 . 1 . 1 83 83 PHE C C 13 175.685 0.000 . 1 . . . . . 378 F C . 53993 4 232 . 1 . 1 83 83 PHE N N 15 123.049 0.047 . 1 . . . . . 378 F N . 53993 4 233 . 1 . 1 84 84 ARG H H 1 8.287 0.008 . 1 . . . . . 379 R H . 53993 4 234 . 1 . 1 84 84 ARG C C 13 176.038 0.000 . 1 . . . . . 379 R C . 53993 4 235 . 1 . 1 84 84 ARG N N 15 123.428 0.043 . 1 . . . . . 379 R N . 53993 4 236 . 1 . 1 85 85 GLU H H 1 8.489 0.005 . 1 . . . . . 380 E H . 53993 4 237 . 1 . 1 85 85 GLU C C 13 176.467 0.000 . 1 . . . . . 380 E C . 53993 4 238 . 1 . 1 85 85 GLU N N 15 122.408 0.017 . 1 . . . . . 380 E N . 53993 4 239 . 1 . 1 86 86 ASN H H 1 8.605 0.006 . 1 . . . . . 381 N H . 53993 4 240 . 1 . 1 86 86 ASN C C 13 175.208 0.000 . 1 . . . . . 381 N C . 53993 4 241 . 1 . 1 86 86 ASN N N 15 120.053 0.036 . 1 . . . . . 381 N N . 53993 4 242 . 1 . 1 87 87 ALA H H 1 8.348 0.008 . 1 . . . . . 382 A H . 53993 4 243 . 1 . 1 87 87 ALA C C 13 177.935 0.000 . 1 . . . . . 382 A C . 53993 4 244 . 1 . 1 87 87 ALA N N 15 124.546 0.017 . 1 . . . . . 382 A N . 53993 4 245 . 1 . 1 88 88 LYS H H 1 8.315 0.007 . 1 . . . . . 383 K H . 53993 4 246 . 1 . 1 88 88 LYS C C 13 176.889 0.000 . 1 . . . . . 383 K C . 53993 4 247 . 1 . 1 88 88 LYS N N 15 120.571 0.038 . 1 . . . . . 383 K N . 53993 4 248 . 1 . 1 89 89 ALA H H 1 8.365 0.021 . 1 . . . . . 384 A H . 53993 4 249 . 1 . 1 89 89 ALA C C 13 177.902 0.000 . 1 . . . . . 384 A C . 53993 4 250 . 1 . 1 89 89 ALA N N 15 125.400 0.014 . 1 . . . . . 384 A N . 53993 4 251 . 1 . 1 90 90 LYS H H 1 8.459 0.006 . 1 . . . . . 385 K H . 53993 4 252 . 1 . 1 90 90 LYS C C 13 176.984 0.000 . 1 . . . . . 385 K C . 53993 4 253 . 1 . 1 90 90 LYS N N 15 121.302 0.023 . 1 . . . . . 385 K N . 53993 4 254 . 1 . 1 91 91 THR H H 1 8.276 0.005 . 1 . . . . . 386 T H . 53993 4 255 . 1 . 1 91 91 THR C C 13 174.200 0.000 . 1 . . . . . 386 T C . 53993 4 256 . 1 . 1 91 91 THR N N 15 115.102 0.015 . 1 . . . . . 386 T N . 53993 4 257 . 1 . 1 92 92 ASP H H 1 8.429 0.008 . 1 . . . . . 387 D H . 53993 4 258 . 1 . 1 92 92 ASP C C 13 176.884 0.000 . 1 . . . . . 387 D C . 53993 4 259 . 1 . 1 92 92 ASP N N 15 122.770 0.004 . 1 . . . . . 387 D N . 53993 4 260 . 1 . 1 93 93 HIS H H 1 8.600 0.001 . 1 . . . . . 388 H H . 53993 4 261 . 1 . 1 93 93 HIS C C 13 175.885 0.000 . 1 . . . . . 388 H C . 53993 4 262 . 1 . 1 93 93 HIS N N 15 119.531 0.007 . 1 . . . . . 388 H N . 53993 4 263 . 1 . 1 94 94 GLY H H 1 8.530 0.003 . 1 . . . . . 389 G H . 53993 4 264 . 1 . 1 94 94 GLY C C 13 173.962 0.000 . 1 . . . . . 389 G C . 53993 4 265 . 1 . 1 94 94 GLY N N 15 110.338 0.008 . 1 . . . . . 389 G N . 53993 4 266 . 1 . 1 95 95 ALA H H 1 8.282 0.001 . 1 . . . . . 390 A H . 53993 4 267 . 1 . 1 95 95 ALA C C 13 176.992 0.000 . 1 . . . . . 390 A C . 53993 4 268 . 1 . 1 95 95 ALA N N 15 124.891 0.092 . 1 . . . . . 390 A N . 53993 4 269 . 1 . 1 96 96 GLU H H 1 8.124 0.005 . 1 . . . . . 391 E H . 53993 4 270 . 1 . 1 96 96 GLU N N 15 125.550 0.005 . 1 . . . . . 391 E N . 53993 4 stop_ save_