################################### # 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 52651 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name DCRD-WT-STARfile _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' . . . 52651 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 . . 52651 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 1 1 GLY H H 1 7.934 0.003 . 1 . . . . . 2035 G H . 52651 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.916 0.002 . 2 . . . . . 2035 G HA2 . 52651 1 3 . 1 . 1 1 1 GLY C C 13 174.017 0.000 . 1 . . . . . 2035 G C . 52651 1 4 . 1 . 1 1 1 GLY CA C 13 45.344 0.074 . 1 . . . . . 2035 G CA . 52651 1 5 . 1 . 1 1 1 GLY N N 15 109.961 0.022 . 1 . . . . . 2035 G N . 52651 1 6 . 1 . 1 2 2 SER H H 1 8.196 0.006 . 1 . . . . . 2036 S H . 52651 1 7 . 1 . 1 2 2 SER HA H 1 4.445 0.000 . 1 . . . . . 2036 S HA . 52651 1 8 . 1 . 1 2 2 SER HB2 H 1 3.890 0.000 . 2 . . . . . 2036 S HB2 . 52651 1 9 . 1 . 1 2 2 SER N N 15 116.012 0.053 . 1 . . . . . 2036 S N . 52651 1 10 . 1 . 1 3 3 ALA HA H 1 4.331 0.000 . 1 . . . . . 2037 A HA . 52651 1 11 . 1 . 1 3 3 ALA HB1 H 1 1.392 0.000 . 1 . . . . . 2037 A HB . 52651 1 12 . 1 . 1 3 3 ALA HB2 H 1 1.392 0.000 . 1 . . . . . 2037 A HB . 52651 1 13 . 1 . 1 3 3 ALA HB3 H 1 1.392 0.000 . 1 . . . . . 2037 A HB . 52651 1 14 . 1 . 1 3 3 ALA C C 13 177.946 0.000 . 1 . . . . . 2037 A C . 52651 1 15 . 1 . 1 3 3 ALA CB C 13 19.087 0.000 . 1 . . . . . 2037 A CB . 52651 1 16 . 1 . 1 4 4 SER H H 1 8.242 0.003 . 1 . . . . . 2038 S H . 52651 1 17 . 1 . 1 4 4 SER HA H 1 4.409 0.009 . 1 . . . . . 2038 S HA . 52651 1 18 . 1 . 1 4 4 SER HB2 H 1 3.849 0.004 . 2 . . . . . 2038 S HB2 . 52651 1 19 . 1 . 1 4 4 SER C C 13 174.701 0.000 . 1 . . . . . 2038 S C . 52651 1 20 . 1 . 1 4 4 SER CA C 13 58.477 0.067 . 1 . . . . . 2038 S CA . 52651 1 21 . 1 . 1 4 4 SER CB C 13 63.703 0.000 . 1 . . . . . 2038 S CB . 52651 1 22 . 1 . 1 4 4 SER N N 15 114.998 0.022 . 1 . . . . . 2038 S N . 52651 1 23 . 1 . 1 5 5 SER H H 1 8.217 0.009 . 1 . . . . . 2039 S H . 52651 1 24 . 1 . 1 5 5 SER HA H 1 4.439 0.001 . 1 . . . . . 2039 S HA . 52651 1 25 . 1 . 1 5 5 SER HB2 H 1 3.878 0.001 . 2 . . . . . 2039 S HB2 . 52651 1 26 . 1 . 1 5 5 SER C C 13 174.396 0.000 . 1 . . . . . 2039 S C . 52651 1 27 . 1 . 1 5 5 SER CA C 13 58.517 0.000 . 1 . . . . . 2039 S CA . 52651 1 28 . 1 . 1 5 5 SER CB C 13 63.713 0.015 . 1 . . . . . 2039 S CB . 52651 1 29 . 1 . 1 5 5 SER N N 15 118.012 0.044 . 1 . . . . . 2039 S N . 52651 1 30 . 1 . 1 6 6 LEU H H 1 8.159 0.001 . 1 . . . . . 2040 L H . 52651 1 31 . 1 . 1 6 6 LEU HA H 1 4.356 0.006 . 1 . . . . . 2040 L HA . 52651 1 32 . 1 . 1 6 6 LEU HB2 H 1 1.598 0.008 . 2 . . . . . 2040 L HB2 . 52651 1 33 . 1 . 1 6 6 LEU C C 13 177.301 0.000 . 1 . . . . . 2040 L C . 52651 1 34 . 1 . 1 6 6 LEU CA C 13 55.597 0.022 . 1 . . . . . 2040 L CA . 52651 1 35 . 1 . 1 6 6 LEU CB C 13 42.264 0.007 . 1 . . . . . 2040 L CB . 52651 1 36 . 1 . 1 6 6 LEU N N 15 124.209 0.029 . 1 . . . . . 2040 L N . 52651 1 37 . 1 . 1 7 7 VAL H H 1 7.954 0.001 . 1 . . . . . 2041 V H . 52651 1 38 . 1 . 1 7 7 VAL HA H 1 4.054 0.006 . 1 . . . . . 2041 V HA . 52651 1 39 . 1 . 1 7 7 VAL HB H 1 2.045 0.003 . 1 . . . . . 2041 V HB . 52651 1 40 . 1 . 1 7 7 VAL C C 13 176.176 0.000 . 1 . . . . . 2041 V C . 52651 1 41 . 1 . 1 7 7 VAL CA C 13 62.608 0.005 . 1 . . . . . 2041 V CA . 52651 1 42 . 1 . 1 7 7 VAL CB C 13 32.679 0.001 . 1 . . . . . 2041 V CB . 52651 1 43 . 1 . 1 7 7 VAL N N 15 120.767 0.020 . 1 . . . . . 2041 V N . 52651 1 44 . 1 . 1 8 8 GLU H H 1 8.333 0.000 . 1 . . . . . 2042 E H . 52651 1 45 . 1 . 1 8 8 GLU HA H 1 4.205 0.000 . 1 . . . . . 2042 E HA . 52651 1 46 . 1 . 1 8 8 GLU HB2 H 1 2.010 0.000 . 2 . . . . . 2042 E HB2 . 52651 1 47 . 1 . 1 8 8 GLU CA C 13 56.826 0.000 . 1 . . . . . 2042 E CA . 52651 1 48 . 1 . 1 8 8 GLU CB C 13 30.351 0.000 . 1 . . . . . 2042 E CB . 52651 1 49 . 1 . 1 8 8 GLU N N 15 124.579 0.009 . 1 . . . . . 2042 E N . 52651 1 50 . 1 . 1 9 9 ALA HA H 1 4.252 0.002 . 1 . . . . . 2043 A HA . 52651 1 51 . 1 . 1 9 9 ALA HB1 H 1 1.366 0.001 . 1 . . . . . 2043 A HB . 52651 1 52 . 1 . 1 9 9 ALA HB2 H 1 1.366 0.001 . 1 . . . . . 2043 A HB . 52651 1 53 . 1 . 1 9 9 ALA HB3 H 1 1.366 0.001 . 1 . . . . . 2043 A HB . 52651 1 54 . 1 . 1 9 9 ALA C C 13 177.756 0.000 . 1 . . . . . 2043 A C . 52651 1 55 . 1 . 1 9 9 ALA CA C 13 52.834 0.000 . 1 . . . . . 2043 A CA . 52651 1 56 . 1 . 1 9 9 ALA CB C 13 19.177 0.004 . 1 . . . . . 2043 A CB . 52651 1 57 . 1 . 1 10 10 VAL H H 1 8.024 0.002 . 1 . . . . . 2044 V H . 52651 1 58 . 1 . 1 10 10 VAL HA H 1 4.034 0.001 . 1 . . . . . 2044 V HA . 52651 1 59 . 1 . 1 10 10 VAL HB H 1 2.041 0.002 . 1 . . . . . 2044 V HB . 52651 1 60 . 1 . 1 10 10 VAL C C 13 176.116 0.000 . 1 . . . . . 2044 V C . 52651 1 61 . 1 . 1 10 10 VAL CA C 13 62.661 0.057 . 1 . . . . . 2044 V CA . 52651 1 62 . 1 . 1 10 10 VAL CB C 13 32.609 0.015 . 1 . . . . . 2044 V CB . 52651 1 63 . 1 . 1 10 10 VAL N N 15 119.904 0.027 . 1 . . . . . 2044 V N . 52651 1 64 . 1 . 1 11 11 LEU H H 1 8.232 0.001 . 1 . . . . . 2045 L H . 52651 1 65 . 1 . 1 11 11 LEU HA H 1 4.364 0.004 . 1 . . . . . 2045 L HA . 52651 1 66 . 1 . 1 11 11 LEU HB2 H 1 1.587 0.005 . 2 . . . . . 2045 L HB2 . 52651 1 67 . 1 . 1 11 11 LEU C C 13 177.367 0.000 . 1 . . . . . 2045 L C . 52651 1 68 . 1 . 1 11 11 LEU CA C 13 55.237 0.021 . 1 . . . . . 2045 L CA . 52651 1 69 . 1 . 1 11 11 LEU CB C 13 42.271 0.015 . 1 . . . . . 2045 L CB . 52651 1 70 . 1 . 1 11 11 LEU N N 15 126.157 0.012 . 1 . . . . . 2045 L N . 52651 1 71 . 1 . 1 12 12 ILE H H 1 8.154 0.001 . 1 . . . . . 2046 I H . 52651 1 72 . 1 . 1 12 12 ILE HA H 1 4.250 0.064 . 1 . . . . . 2046 I HA . 52651 1 73 . 1 . 1 12 12 ILE HB H 1 1.536 0.226 . 1 . . . . . 2046 I HB . 52651 1 74 . 1 . 1 12 12 ILE C C 13 176.451 0.000 . 1 . . . . . 2046 I C . 52651 1 75 . 1 . 1 12 12 ILE CA C 13 61.345 0.061 . 1 . . . . . 2046 I CA . 52651 1 76 . 1 . 1 12 12 ILE CB C 13 38.577 0.020 . 1 . . . . . 2046 I CB . 52651 1 77 . 1 . 1 12 12 ILE N N 15 122.660 0.024 . 1 . . . . . 2046 I N . 52651 1 78 . 1 . 1 13 13 SER H H 1 8.271 0.006 . 1 . . . . . 2047 S H . 52651 1 79 . 1 . 1 13 13 SER HA H 1 4.550 0.000 . 1 . . . . . 2047 S HA . 52651 1 80 . 1 . 1 13 13 SER HB2 H 1 3.850 0.000 . 2 . . . . . 2047 S HB2 . 52651 1 81 . 1 . 1 13 13 SER CA C 13 58.481 0.000 . 1 . . . . . 2047 S CA . 52651 1 82 . 1 . 1 13 13 SER CB C 13 63.730 0.000 . 1 . . . . . 2047 S CB . 52651 1 83 . 1 . 1 13 13 SER N N 15 119.938 0.111 . 1 . . . . . 2047 S N . 52651 1 84 . 1 . 1 14 14 GLU HA H 1 4.290 0.003 . 1 . . . . . 2048 E HA . 52651 1 85 . 1 . 1 14 14 GLU HB2 H 1 2.022 0.005 . 2 . . . . . 2048 E HB2 . 52651 1 86 . 1 . 1 14 14 GLU C C 13 176.995 0.000 . 1 . . . . . 2048 E C . 52651 1 87 . 1 . 1 14 14 GLU CA C 13 56.942 0.031 . 1 . . . . . 2048 E CA . 52651 1 88 . 1 . 1 14 14 GLU CB C 13 30.319 0.028 . 1 . . . . . 2048 E CB . 52651 1 89 . 1 . 1 15 15 GLY H H 1 8.359 0.001 . 1 . . . . . 2049 G H . 52651 1 90 . 1 . 1 15 15 GLY HA2 H 1 3.943 0.003 . 1 . . . . . 2049 G HA2 . 52651 1 91 . 1 . 1 15 15 GLY C C 13 174.320 0.000 . 1 . . . . . 2049 G C . 52651 1 92 . 1 . 1 15 15 GLY CA C 13 45.534 0.010 . 1 . . . . . 2049 G CA . 52651 1 93 . 1 . 1 15 15 GLY N N 15 109.813 0.006 . 1 . . . . . 2049 G N . 52651 1 94 . 1 . 1 16 16 LEU H H 1 8.098 0.001 . 1 . . . . . 2050 L H . 52651 1 95 . 1 . 1 16 16 LEU HA H 1 4.364 0.000 . 1 . . . . . 2050 L HA . 52651 1 96 . 1 . 1 16 16 LEU HB2 H 1 1.634 0.003 . 2 . . . . . 2050 L HB2 . 52651 1 97 . 1 . 1 16 16 LEU C C 13 178.069 0.000 . 1 . . . . . 2050 L C . 52651 1 98 . 1 . 1 16 16 LEU CA C 13 55.275 0.048 . 1 . . . . . 2050 L CA . 52651 1 99 . 1 . 1 16 16 LEU CB C 13 42.415 0.007 . 1 . . . . . 2050 L CB . 52651 1 100 . 1 . 1 16 16 LEU N N 15 121.750 0.014 . 1 . . . . . 2050 L N . 52651 1 101 . 1 . 1 17 17 GLY H H 1 8.414 0.002 . 1 . . . . . 2051 G H . 52651 1 102 . 1 . 1 17 17 GLY HA2 H 1 3.882 0.002 . 2 . . . . . 2051 G HA2 . 52651 1 103 . 1 . 1 17 17 GLY C C 13 174.188 0.000 . 1 . . . . . 2051 G C . 52651 1 104 . 1 . 1 17 17 GLY CA C 13 45.514 0.002 . 1 . . . . . 2051 G CA . 52651 1 105 . 1 . 1 17 17 GLY N N 15 109.705 0.014 . 1 . . . . . 2051 G N . 52651 1 106 . 1 . 1 18 18 GLN H H 1 8.140 0.002 . 1 . . . . . 2052 Q H . 52651 1 107 . 1 . 1 18 18 GLN HA H 1 4.215 0.008 . 1 . . . . . 2052 Q HA . 52651 1 108 . 1 . 1 18 18 GLN HB2 H 1 1.847 0.005 . 2 . . . . . 2052 Q HB2 . 52651 1 109 . 1 . 1 18 18 GLN C C 13 175.712 0.000 . 1 . . . . . 2052 Q C . 52651 1 110 . 1 . 1 18 18 GLN CA C 13 56.069 0.016 . 1 . . . . . 2052 Q CA . 52651 1 111 . 1 . 1 18 18 GLN CB C 13 29.267 0.025 . 1 . . . . . 2052 Q CB . 52651 1 112 . 1 . 1 18 18 GLN N N 15 120.183 0.006 . 1 . . . . . 2052 Q N . 52651 1 113 . 1 . 1 19 19 PHE H H 1 8.180 0.001 . 1 . . . . . 2053 F H . 52651 1 114 . 1 . 1 19 19 PHE HA H 1 4.621 0.002 . 1 . . . . . 2053 F HA . 52651 1 115 . 1 . 1 19 19 PHE HB2 H 1 3.170 0.004 . 2 . . . . . 2053 F HB2 . 52651 1 116 . 1 . 1 19 19 PHE HB3 H 1 2.940 0.004 . 2 . . . . . 2053 F HB3 . 52651 1 117 . 1 . 1 19 19 PHE C C 13 175.327 0.000 . 1 . . . . . 2053 F C . 52651 1 118 . 1 . 1 19 19 PHE CA C 13 57.503 0.008 . 1 . . . . . 2053 F CA . 52651 1 119 . 1 . 1 19 19 PHE CB C 13 39.484 0.006 . 1 . . . . . 2053 F CB . 52651 1 120 . 1 . 1 19 19 PHE N N 15 121.047 0.052 . 1 . . . . . 2053 F N . 52651 1 121 . 1 . 1 20 20 ALA H H 1 8.079 0.001 . 1 . . . . . 2054 A H . 52651 1 122 . 1 . 1 20 20 ALA HA H 1 4.234 0.001 . 1 . . . . . 2054 A HA . 52651 1 123 . 1 . 1 20 20 ALA HB1 H 1 1.319 0.002 . 1 . . . . . 2054 A HB . 52651 1 124 . 1 . 1 20 20 ALA HB2 H 1 1.319 0.002 . 1 . . . . . 2054 A HB . 52651 1 125 . 1 . 1 20 20 ALA HB3 H 1 1.319 0.002 . 1 . . . . . 2054 A HB . 52651 1 126 . 1 . 1 20 20 ALA C C 13 177.082 0.000 . 1 . . . . . 2054 A C . 52651 1 127 . 1 . 1 20 20 ALA CA C 13 52.428 0.010 . 1 . . . . . 2054 A CA . 52651 1 128 . 1 . 1 20 20 ALA CB C 13 19.305 0.010 . 1 . . . . . 2054 A CB . 52651 1 129 . 1 . 1 20 20 ALA N N 15 125.423 0.008 . 1 . . . . . 2054 A N . 52651 1 130 . 1 . 1 21 21 GLN H H 1 8.176 0.001 . 1 . . . . . 2055 Q H . 52651 1 131 . 1 . 1 21 21 GLN HA H 1 4.259 0.008 . 1 . . . . . 2055 Q HA . 52651 1 132 . 1 . 1 21 21 GLN HB2 H 1 1.945 0.029 . 2 . . . . . 2055 Q HB2 . 52651 1 133 . 1 . 1 21 21 GLN C C 13 175.291 0.000 . 1 . . . . . 2055 Q C . 52651 1 134 . 1 . 1 21 21 GLN CA C 13 55.494 0.033 . 1 . . . . . 2055 Q CA . 52651 1 135 . 1 . 1 21 21 GLN CB C 13 29.789 0.015 . 1 . . . . . 2055 Q CB . 52651 1 136 . 1 . 1 21 21 GLN N N 15 119.658 0.016 . 1 . . . . . 2055 Q N . 52651 1 137 . 1 . 1 22 22 ASP H H 1 8.365 0.001 . 1 . . . . . 2056 D H . 52651 1 138 . 1 . 1 22 22 ASP HA H 1 4.822 0.000 . 1 . . . . . 2056 D HA . 52651 1 139 . 1 . 1 22 22 ASP HB2 H 1 2.831 0.000 . 2 . . . . . 2056 D HB2 . 52651 1 140 . 1 . 1 22 22 ASP HB3 H 1 2.575 0.000 . 2 . . . . . 2056 D HB3 . 52651 1 141 . 1 . 1 22 22 ASP CA C 13 52.213 0.000 . 1 . . . . . 2056 D CA . 52651 1 142 . 1 . 1 22 22 ASP CB C 13 41.616 0.000 . 1 . . . . . 2056 D CB . 52651 1 143 . 1 . 1 22 22 ASP N N 15 124.237 0.037 . 1 . . . . . 2056 D N . 52651 1 144 . 1 . 1 23 23 PRO HA H 1 4.386 0.001 . 1 . . . . . 2057 P HA . 52651 1 145 . 1 . 1 23 23 PRO HB2 H 1 2.247 0.004 . 2 . . . . . 2057 P HB2 . 52651 1 146 . 1 . 1 23 23 PRO HB3 H 1 1.883 0.008 . 2 . . . . . 2057 P HB3 . 52651 1 147 . 1 . 1 23 23 PRO C C 13 176.911 0.000 . 1 . . . . . 2057 P C . 52651 1 148 . 1 . 1 23 23 PRO CA C 13 63.781 0.030 . 1 . . . . . 2057 P CA . 52651 1 149 . 1 . 1 23 23 PRO CB C 13 32.064 0.008 . 1 . . . . . 2057 P CB . 52651 1 150 . 1 . 1 24 24 ASN H H 1 8.545 0.001 . 1 . . . . . 2058 N H . 52651 1 151 . 1 . 1 24 24 ASN HA H 1 4.635 0.001 . 1 . . . . . 2058 N HA . 52651 1 152 . 1 . 1 24 24 ASN HB2 H 1 2.696 0.003 . 2 . . . . . 2058 N HB2 . 52651 1 153 . 1 . 1 24 24 ASN C C 13 174.844 0.000 . 1 . . . . . 2058 N C . 52651 1 154 . 1 . 1 24 24 ASN CA C 13 53.484 0.017 . 1 . . . . . 2058 N CA . 52651 1 155 . 1 . 1 24 24 ASN CB C 13 38.888 0.004 . 1 . . . . . 2058 N CB . 52651 1 156 . 1 . 1 24 24 ASN N N 15 117.610 0.006 . 1 . . . . . 2058 N N . 52651 1 157 . 1 . 1 25 25 PHE H H 1 7.891 0.001 . 1 . . . . . 2059 F H . 52651 1 158 . 1 . 1 25 25 PHE HA H 1 4.534 0.005 . 1 . . . . . 2059 F HA . 52651 1 159 . 1 . 1 25 25 PHE HB2 H 1 3.090 0.003 . 2 . . . . . 2059 F HB2 . 52651 1 160 . 1 . 1 25 25 PHE HB3 H 1 3.086 0.000 . 2 . . . . . 2059 F HB3 . 52651 1 161 . 1 . 1 25 25 PHE C C 13 175.039 0.000 . 1 . . . . . 2059 F C . 52651 1 162 . 1 . 1 25 25 PHE CA C 13 58.227 0.014 . 1 . . . . . 2059 F CA . 52651 1 163 . 1 . 1 25 25 PHE CB C 13 39.584 0.072 . 1 . . . . . 2059 F CB . 52651 1 164 . 1 . 1 25 25 PHE N N 15 121.111 0.010 . 1 . . . . . 2059 F N . 52651 1 165 . 1 . 1 26 26 ILE H H 1 7.767 0.001 . 1 . . . . . 2060 I H . 52651 1 166 . 1 . 1 26 26 ILE HA H 1 4.044 0.000 . 1 . . . . . 2060 I HA . 52651 1 167 . 1 . 1 26 26 ILE HB H 1 1.708 0.000 . 1 . . . . . 2060 I HB . 52651 1 168 . 1 . 1 26 26 ILE CA C 13 60.752 0.000 . 1 . . . . . 2060 I CA . 52651 1 169 . 1 . 1 26 26 ILE CB C 13 39.221 0.000 . 1 . . . . . 2060 I CB . 52651 1 170 . 1 . 1 26 26 ILE N N 15 124.319 0.014 . 1 . . . . . 2060 I N . 52651 1 171 . 1 . 1 27 27 GLU HA H 1 4.225 0.000 . 1 . . . . . 2061 E HA . 52651 1 172 . 1 . 1 27 27 GLU HB2 H 1 1.959 0.000 . 2 . . . . . 2061 E HB . 52651 1 173 . 1 . 1 27 27 GLU HB3 H 1 1.959 0.000 . 2 . . . . . 2061 E HB . 52651 1 174 . 1 . 1 27 27 GLU C C 13 176.183 0.000 . 1 . . . . . 2061 E C . 52651 1 175 . 1 . 1 27 27 GLU CA C 13 56.353 0.000 . 1 . . . . . 2061 E CA . 52651 1 176 . 1 . 1 27 27 GLU CB C 13 30.415 0.000 . 1 . . . . . 2061 E CB . 52651 1 177 . 1 . 1 28 28 VAL H H 1 8.290 0.038 . 1 . . . . . 2062 V H . 52651 1 178 . 1 . 1 28 28 VAL HA H 1 4.179 0.010 . 1 . . . . . 2062 V HA . 52651 1 179 . 1 . 1 28 28 VAL HB H 1 2.057 0.021 . 1 . . . . . 2062 V HB . 52651 1 180 . 1 . 1 28 28 VAL C C 13 176.382 0.000 . 1 . . . . . 2062 V C . 52651 1 181 . 1 . 1 28 28 VAL CA C 13 62.342 0.005 . 1 . . . . . 2062 V CA . 52651 1 182 . 1 . 1 28 28 VAL CB C 13 32.849 0.000 . 1 . . . . . 2062 V CB . 52651 1 183 . 1 . 1 28 28 VAL N N 15 123.065 0.093 . 1 . . . . . 2062 V N . 52651 1 184 . 1 . 1 29 29 THR H H 1 8.317 0.004 . 1 . . . . . 2063 T H . 52651 1 185 . 1 . 1 29 29 THR HA H 1 4.361 0.000 . 1 . . . . . 2063 T HA . 52651 1 186 . 1 . 1 29 29 THR HB H 1 4.238 0.007 . 1 . . . . . 2063 T HB . 52651 1 187 . 1 . 1 29 29 THR C C 13 174.706 0.000 . 1 . . . . . 2063 T C . 52651 1 188 . 1 . 1 29 29 THR CA C 13 61.898 0.088 . 1 . . . . . 2063 T CA . 52651 1 189 . 1 . 1 29 29 THR CB C 13 69.959 0.000 . 1 . . . . . 2063 T CB . 52651 1 190 . 1 . 1 29 29 THR N N 15 118.827 0.016 . 1 . . . . . 2063 T N . 52651 1 191 . 1 . 1 30 30 THR H H 1 8.197 0.003 . 1 . . . . . 2064 T H . 52651 1 192 . 1 . 1 30 30 THR HA H 1 4.365 0.000 . 1 . . . . . 2064 T HA . 52651 1 193 . 1 . 1 30 30 THR HB H 1 4.196 0.000 . 1 . . . . . 2064 T HB . 52651 1 194 . 1 . 1 30 30 THR CA C 13 62.023 0.000 . 1 . . . . . 2064 T CA . 52651 1 195 . 1 . 1 30 30 THR CB C 13 69.774 0.000 . 1 . . . . . 2064 T CB . 52651 1 196 . 1 . 1 30 30 THR N N 15 117.165 0.014 . 1 . . . . . 2064 T N . 52651 1 197 . 1 . 1 31 31 GLN HA H 1 4.320 0.000 . 1 . . . . . 2065 Q HA . 52651 1 198 . 1 . 1 31 31 GLN HB2 H 1 2.026 0.000 . 1 . . . . . 2065 Q HB2 . 52651 1 199 . 1 . 1 31 31 GLN C C 13 175.793 0.000 . 1 . . . . . 2065 Q C . 52651 1 200 . 1 . 1 31 31 GLN CA C 13 55.953 0.056 . 1 . . . . . 2065 Q CA . 52651 1 201 . 1 . 1 31 31 GLN CB C 13 29.704 0.026 . 1 . . . . . 2065 Q CB . 52651 1 202 . 1 . 1 31 31 GLN CG C 13 33.836 0.000 . 1 . . . . . 2065 Q CG . 52651 1 203 . 1 . 1 32 32 GLU H H 1 8.459 0.006 . 1 . . . . . 2066 E H . 52651 1 204 . 1 . 1 32 32 GLU HA H 1 4.250 0.002 . 1 . . . . . 2066 E HA . 52651 1 205 . 1 . 1 32 32 GLU HB2 H 1 1.982 0.004 . 2 . . . . . 2066 E HB2 . 52651 1 206 . 1 . 1 32 32 GLU C C 13 176.504 0.000 . 1 . . . . . 2066 E C . 52651 1 207 . 1 . 1 32 32 GLU CA C 13 56.614 0.131 . 1 . . . . . 2066 E CA . 52651 1 208 . 1 . 1 32 32 GLU CB C 13 30.189 0.115 . 1 . . . . . 2066 E CB . 52651 1 209 . 1 . 1 32 32 GLU N N 15 122.890 0.182 . 1 . . . . . 2066 E N . 52651 1 210 . 1 . 1 33 33 LEU H H 1 8.280 0.001 . 1 . . . . . 2067 L H . 52651 1 211 . 1 . 1 33 33 LEU HA H 1 4.319 0.010 . 1 . . . . . 2067 L HA . 52651 1 212 . 1 . 1 33 33 LEU HB2 H 1 1.598 0.009 . 2 . . . . . 2067 L HB2 . 52651 1 213 . 1 . 1 33 33 LEU C C 13 177.149 0.000 . 1 . . . . . 2067 L C . 52651 1 214 . 1 . 1 33 33 LEU CA C 13 55.046 0.002 . 1 . . . . . 2067 L CA . 52651 1 215 . 1 . 1 33 33 LEU CB C 13 42.380 0.007 . 1 . . . . . 2067 L CB . 52651 1 216 . 1 . 1 33 33 LEU N N 15 124.038 0.014 . 1 . . . . . 2067 L N . 52651 1 217 . 1 . 1 34 34 ALA H H 1 8.266 0.001 . 1 . . . . . 2068 A H . 52651 1 218 . 1 . 1 34 34 ALA HA H 1 4.298 0.000 . 1 . . . . . 2068 A HA . 52651 1 219 . 1 . 1 34 34 ALA HB1 H 1 1.379 0.000 . 1 . . . . . 2068 A HB . 52651 1 220 . 1 . 1 34 34 ALA HB2 H 1 1.379 0.000 . 1 . . . . . 2068 A HB . 52651 1 221 . 1 . 1 34 34 ALA HB3 H 1 1.379 0.000 . 1 . . . . . 2068 A HB . 52651 1 222 . 1 . 1 34 34 ALA CA C 13 52.592 0.000 . 1 . . . . . 2068 A CA . 52651 1 223 . 1 . 1 34 34 ALA CB C 13 19.277 0.000 . 1 . . . . . 2068 A CB . 52651 1 224 . 1 . 1 34 34 ALA N N 15 125.492 0.009 . 1 . . . . . 2068 A N . 52651 1 225 . 1 . 1 35 35 ASP HA H 1 4.540 0.002 . 1 . . . . . 2069 D HA . 52651 1 226 . 1 . 1 35 35 ASP HB2 H 1 2.648 0.006 . 2 . . . . . 2069 D HB2 . 52651 1 227 . 1 . 1 35 35 ASP C C 13 176.146 0.000 . 1 . . . . . 2069 D C . 52651 1 228 . 1 . 1 35 35 ASP CA C 13 54.398 0.000 . 1 . . . . . 2069 D CA . 52651 1 229 . 1 . 1 35 35 ASP CB C 13 41.216 0.001 . 1 . . . . . 2069 D CB . 52651 1 230 . 1 . 1 36 36 ALA H H 1 8.168 0.002 . 1 . . . . . 2070 A H . 52651 1 231 . 1 . 1 36 36 ALA HA H 1 4.312 0.000 . 1 . . . . . 2070 A HA . 52651 1 232 . 1 . 1 36 36 ALA HB1 H 1 1.404 0.004 . 1 . . . . . 2070 A HB . 52651 1 233 . 1 . 1 36 36 ALA HB2 H 1 1.404 0.004 . 1 . . . . . 2070 A HB . 52651 1 234 . 1 . 1 36 36 ALA HB3 H 1 1.404 0.004 . 1 . . . . . 2070 A HB . 52651 1 235 . 1 . 1 36 36 ALA C C 13 177.656 0.000 . 1 . . . . . 2070 A C . 52651 1 236 . 1 . 1 36 36 ALA CA C 13 52.678 0.031 . 1 . . . . . 2070 A CA . 52651 1 237 . 1 . 1 36 36 ALA CB C 13 19.228 0.010 . 1 . . . . . 2070 A CB . 52651 1 238 . 1 . 1 36 36 ALA N N 15 124.869 0.016 . 1 . . . . . 2070 A N . 52651 1 239 . 1 . 1 37 37 CYS H H 1 8.332 0.004 . 1 . . . . . 2071 C H . 52651 1 240 . 1 . 1 37 37 CYS HA H 1 4.451 0.000 . 1 . . . . . 2071 C HA . 52651 1 241 . 1 . 1 37 37 CYS HB2 H 1 2.919 0.000 . 2 . . . . . 2071 C HB2 . 52651 1 242 . 1 . 1 37 37 CYS CA C 13 58.429 0.000 . 1 . . . . . 2071 C CA . 52651 1 243 . 1 . 1 37 37 CYS CB C 13 28.136 0.000 . 1 . . . . . 2071 C CB . 52651 1 244 . 1 . 1 37 37 CYS N N 15 118.840 0.016 . 1 . . . . . 2071 C N . 52651 1 245 . 1 . 1 38 38 ASP HA H 1 4.568 0.000 . 1 . . . . . 2072 D HA . 52651 1 246 . 1 . 1 38 38 ASP HB2 H 1 2.696 0.032 . 2 . . . . . 2072 D HB2 . 52651 1 247 . 1 . 1 38 38 ASP C C 13 176.077 0.000 . 1 . . . . . 2072 D C . 52651 1 248 . 1 . 1 38 38 ASP CA C 13 54.430 0.000 . 1 . . . . . 2072 D CA . 52651 1 249 . 1 . 1 38 38 ASP CB C 13 41.059 0.000 . 1 . . . . . 2072 D CB . 52651 1 250 . 1 . 1 39 39 MET H H 1 8.275 0.001 . 1 . . . . . 2073 M H . 52651 1 251 . 1 . 1 39 39 MET HA H 1 4.551 0.006 . 1 . . . . . 2073 M HA . 52651 1 252 . 1 . 1 39 39 MET HB2 H 1 2.085 0.006 . 2 . . . . . 2073 M HB2 . 52651 1 253 . 1 . 1 39 39 MET C C 13 176.330 0.000 . 1 . . . . . 2073 M C . 52651 1 254 . 1 . 1 39 39 MET CA C 13 55.565 0.015 . 1 . . . . . 2073 M CA . 52651 1 255 . 1 . 1 39 39 MET CB C 13 33.240 0.017 . 1 . . . . . 2073 M CB . 52651 1 256 . 1 . 1 39 39 MET N N 15 121.689 0.017 . 1 . . . . . 2073 M N . 52651 1 257 . 1 . 1 40 40 THR H H 1 8.371 0.001 . 1 . . . . . 2074 T H . 52651 1 258 . 1 . 1 40 40 THR HA H 1 4.303 0.022 . 1 . . . . . 2074 T HA . 52651 1 259 . 1 . 1 40 40 THR HB H 1 4.196 0.000 . 1 . . . . . 2074 T HB . 52651 1 260 . 1 . 1 40 40 THR C C 13 174.686 0.000 . 1 . . . . . 2074 T C . 52651 1 261 . 1 . 1 40 40 THR CA C 13 62.281 0.011 . 1 . . . . . 2074 T CA . 52651 1 262 . 1 . 1 40 40 THR CB C 13 70.010 0.005 . 1 . . . . . 2074 T CB . 52651 1 263 . 1 . 1 40 40 THR N N 15 116.699 0.013 . 1 . . . . . 2074 T N . 52651 1 264 . 1 . 1 41 41 ILE H H 1 8.232 0.000 . 1 . . . . . 2075 I H . 52651 1 265 . 1 . 1 41 41 ILE HA H 1 4.113 0.000 . 1 . . . . . 2075 I HA . 52651 1 266 . 1 . 1 41 41 ILE HB H 1 1.861 0.006 . 1 . . . . . 2075 I HB . 52651 1 267 . 1 . 1 41 41 ILE C C 13 176.484 0.000 . 1 . . . . . 2075 I C . 52651 1 268 . 1 . 1 41 41 ILE CA C 13 61.751 0.044 . 1 . . . . . 2075 I CA . 52651 1 269 . 1 . 1 41 41 ILE CB C 13 38.715 0.169 . 1 . . . . . 2075 I CB . 52651 1 270 . 1 . 1 41 41 ILE N N 15 123.741 0.011 . 1 . . . . . 2075 I N . 52651 1 271 . 1 . 1 42 42 GLU H H 1 8.467 0.001 . 1 . . . . . 2076 E H . 52651 1 272 . 1 . 1 42 42 GLU HA H 1 4.231 0.005 . 1 . . . . . 2076 E HA . 52651 1 273 . 1 . 1 42 42 GLU HB2 H 1 1.964 0.007 . 2 . . . . . 2076 E HB2 . 52651 1 274 . 1 . 1 42 42 GLU C C 13 176.798 0.000 . 1 . . . . . 2076 E C . 52651 1 275 . 1 . 1 42 42 GLU CA C 13 57.163 0.024 . 1 . . . . . 2076 E CA . 52651 1 276 . 1 . 1 42 42 GLU CB C 13 30.241 0.003 . 1 . . . . . 2076 E CB . 52651 1 277 . 1 . 1 42 42 GLU N N 15 124.916 0.027 . 1 . . . . . 2076 E N . 52651 1 278 . 1 . 1 43 43 GLU H H 1 8.300 0.002 . 1 . . . . . 2077 E H . 52651 1 279 . 1 . 1 43 43 GLU HA H 1 4.181 0.078 . 1 . . . . . 2077 E HA . 52651 1 280 . 1 . 1 43 43 GLU HB2 H 1 2.006 0.003 . 2 . . . . . 2077 E HB2 . 52651 1 281 . 1 . 1 43 43 GLU C C 13 176.921 0.000 . 1 . . . . . 2077 E C . 52651 1 282 . 1 . 1 43 43 GLU CA C 13 56.966 0.030 . 1 . . . . . 2077 E CA . 52651 1 283 . 1 . 1 43 43 GLU CB C 13 30.343 0.025 . 1 . . . . . 2077 E CB . 52651 1 284 . 1 . 1 43 43 GLU N N 15 122.249 0.014 . 1 . . . . . 2077 E N . 52651 1 285 . 1 . 1 44 44 MET H H 1 8.340 0.001 . 1 . . . . . 2078 M H . 52651 1 286 . 1 . 1 44 44 MET HA H 1 4.407 0.008 . 1 . . . . . 2078 M HA . 52651 1 287 . 1 . 1 44 44 MET HB2 H 1 2.056 0.005 . 2 . . . . . 2078 M HB2 . 52651 1 288 . 1 . 1 44 44 MET C C 13 176.669 0.000 . 1 . . . . . 2078 M C . 52651 1 289 . 1 . 1 44 44 MET CA C 13 56.200 0.063 . 1 . . . . . 2078 M CA . 52651 1 290 . 1 . 1 44 44 MET CB C 13 33.168 0.015 . 1 . . . . . 2078 M CB . 52651 1 291 . 1 . 1 44 44 MET N N 15 121.762 0.008 . 1 . . . . . 2078 M N . 52651 1 292 . 1 . 1 45 45 GLU H H 1 8.441 0.001 . 1 . . . . . 2079 E H . 52651 1 293 . 1 . 1 45 45 GLU HA H 1 4.209 0.002 . 1 . . . . . 2079 E HA . 52651 1 294 . 1 . 1 45 45 GLU HB2 H 1 1.997 0.012 . 2 . . . . . 2079 E HB2 . 52651 1 295 . 1 . 1 45 45 GLU C C 13 176.511 0.000 . 1 . . . . . 2079 E C . 52651 1 296 . 1 . 1 45 45 GLU CA C 13 57.034 0.042 . 1 . . . . . 2079 E CA . 52651 1 297 . 1 . 1 45 45 GLU CB C 13 30.191 0.013 . 1 . . . . . 2079 E CB . 52651 1 298 . 1 . 1 45 45 GLU N N 15 122.403 0.017 . 1 . . . . . 2079 E N . 52651 1 299 . 1 . 1 46 46 ASN H H 1 8.409 0.005 . 1 . . . . . 2080 N H . 52651 1 300 . 1 . 1 46 46 ASN HA H 1 4.682 0.001 . 1 . . . . . 2080 N HA . 52651 1 301 . 1 . 1 46 46 ASN HB2 H 1 2.786 0.003 . 2 . . . . . 2080 N HB2 . 52651 1 302 . 1 . 1 46 46 ASN C C 13 175.102 0.000 . 1 . . . . . 2080 N C . 52651 1 303 . 1 . 1 46 46 ASN CA C 13 53.237 0.000 . 1 . . . . . 2080 N CA . 52651 1 304 . 1 . 1 46 46 ASN CB C 13 38.979 0.045 . 1 . . . . . 2080 N CB . 52651 1 305 . 1 . 1 46 46 ASN N N 15 120.079 0.014 . 1 . . . . . 2080 N N . 52651 1 306 . 1 . 1 47 47 ALA H H 1 8.216 0.004 . 1 . . . . . 2081 A H . 52651 1 307 . 1 . 1 47 47 ALA HA H 1 4.260 0.008 . 1 . . . . . 2081 A HA . 52651 1 308 . 1 . 1 47 47 ALA HB1 H 1 1.395 0.010 . 1 . . . . . 2081 A HB . 52651 1 309 . 1 . 1 47 47 ALA HB2 H 1 1.395 0.010 . 1 . . . . . 2081 A HB . 52651 1 310 . 1 . 1 47 47 ALA HB3 H 1 1.395 0.010 . 1 . . . . . 2081 A HB . 52651 1 311 . 1 . 1 47 47 ALA C C 13 177.794 0.000 . 1 . . . . . 2081 A C . 52651 1 312 . 1 . 1 47 47 ALA CA C 13 52.928 0.042 . 1 . . . . . 2081 A CA . 52651 1 313 . 1 . 1 47 47 ALA CB C 13 19.171 0.000 . 1 . . . . . 2081 A CB . 52651 1 314 . 1 . 1 47 47 ALA N N 15 125.259 0.040 . 1 . . . . . 2081 A N . 52651 1 315 . 1 . 1 48 48 ALA H H 1 8.215 0.000 . 1 . . . . . 2082 A H . 52651 1 316 . 1 . 1 48 48 ALA HA H 1 4.254 0.004 . 1 . . . . . 2082 A HA . 52651 1 317 . 1 . 1 48 48 ALA HB1 H 1 1.392 0.003 . 1 . . . . . 2082 A HB . 52651 1 318 . 1 . 1 48 48 ALA HB2 H 1 1.392 0.003 . 1 . . . . . 2082 A HB . 52651 1 319 . 1 . 1 48 48 ALA HB3 H 1 1.392 0.003 . 1 . . . . . 2082 A HB . 52651 1 320 . 1 . 1 48 48 ALA C C 13 177.735 0.000 . 1 . . . . . 2082 A C . 52651 1 321 . 1 . 1 48 48 ALA CA C 13 52.864 0.005 . 1 . . . . . 2082 A CA . 52651 1 322 . 1 . 1 48 48 ALA CB C 13 19.117 0.009 . 1 . . . . . 2082 A CB . 52651 1 323 . 1 . 1 48 48 ALA N N 15 123.065 0.012 . 1 . . . . . 2082 A N . 52651 1 324 . 1 . 1 49 49 ASP H H 1 8.143 0.001 . 1 . . . . . 2083 D H . 52651 1 325 . 1 . 1 49 49 ASP HA H 1 4.542 0.015 . 1 . . . . . 2083 D HA . 52651 1 326 . 1 . 1 49 49 ASP HB2 H 1 2.647 0.001 . 2 . . . . . 2083 D HB2 . 52651 1 327 . 1 . 1 49 49 ASP C C 13 176.179 0.000 . 1 . . . . . 2083 D C . 52651 1 328 . 1 . 1 49 49 ASP CA C 13 54.530 0.023 . 1 . . . . . 2083 D CA . 52651 1 329 . 1 . 1 49 49 ASP CB C 13 41.077 0.013 . 1 . . . . . 2083 D CB . 52651 1 330 . 1 . 1 49 49 ASP N N 15 119.055 0.014 . 1 . . . . . 2083 D N . 52651 1 331 . 1 . 1 50 50 ASN H H 1 8.207 0.001 . 1 . . . . . 2084 N H . 52651 1 332 . 1 . 1 50 50 ASN HA H 1 4.691 0.002 . 1 . . . . . 2084 N HA . 52651 1 333 . 1 . 1 50 50 ASN HB2 H 1 2.778 0.005 . 2 . . . . . 2084 N HB2 . 52651 1 334 . 1 . 1 50 50 ASN C C 13 175.266 0.000 . 1 . . . . . 2084 N C . 52651 1 335 . 1 . 1 50 50 ASN CA C 13 53.452 0.047 . 1 . . . . . 2084 N CA . 52651 1 336 . 1 . 1 50 50 ASN CB C 13 38.899 0.001 . 1 . . . . . 2084 N CB . 52651 1 337 . 1 . 1 50 50 ASN N N 15 119.087 0.022 . 1 . . . . . 2084 N N . 52651 1 338 . 1 . 1 51 51 ILE H H 1 8.030 0.001 . 1 . . . . . 2085 I H . 52651 1 339 . 1 . 1 51 51 ILE HA H 1 4.139 0.050 . 1 . . . . . 2085 I HA . 52651 1 340 . 1 . 1 51 51 ILE HB H 1 1.915 0.010 . 1 . . . . . 2085 I HB . 52651 1 341 . 1 . 1 51 51 ILE C C 13 176.516 0.000 . 1 . . . . . 2085 I C . 52651 1 342 . 1 . 1 51 51 ILE CA C 13 61.313 0.260 . 1 . . . . . 2085 I CA . 52651 1 343 . 1 . 1 51 51 ILE CB C 13 38.704 0.138 . 1 . . . . . 2085 I CB . 52651 1 344 . 1 . 1 51 51 ILE N N 15 121.440 0.006 . 1 . . . . . 2085 I N . 52651 1 345 . 1 . 1 52 52 LEU H H 1 8.303 0.003 . 1 . . . . . 2086 L H . 52651 1 346 . 1 . 1 52 52 LEU HA H 1 4.407 0.017 . 1 . . . . . 2086 L HA . 52651 1 347 . 1 . 1 52 52 LEU HB2 H 1 1.641 0.009 . 2 . . . . . 2086 L HB2 . 52651 1 348 . 1 . 1 52 52 LEU C C 13 177.479 0.000 . 1 . . . . . 2086 L C . 52651 1 349 . 1 . 1 52 52 LEU CA C 13 55.139 0.053 . 1 . . . . . 2086 L CA . 52651 1 350 . 1 . 1 52 52 LEU CB C 13 42.064 0.015 . 1 . . . . . 2086 L CB . 52651 1 351 . 1 . 1 52 52 LEU N N 15 125.929 0.017 . 1 . . . . . 2086 L N . 52651 1 352 . 1 . 1 53 53 SER H H 1 8.224 0.003 . 1 . . . . . 2087 S H . 52651 1 353 . 1 . 1 53 53 SER HA H 1 4.440 0.001 . 1 . . . . . 2087 S HA . 52651 1 354 . 1 . 1 53 53 SER HB2 H 1 3.890 0.000 . 2 . . . . . 2087 S HB2 . 52651 1 355 . 1 . 1 53 53 SER C C 13 175.035 0.000 . 1 . . . . . 2087 S C . 52651 1 356 . 1 . 1 53 53 SER CA C 13 58.463 0.038 . 1 . . . . . 2087 S CA . 52651 1 357 . 1 . 1 53 53 SER CB C 13 63.801 0.002 . 1 . . . . . 2087 S CB . 52651 1 358 . 1 . 1 53 53 SER N N 15 116.973 0.033 . 1 . . . . . 2087 S N . 52651 1 359 . 1 . 1 54 54 GLY H H 1 8.376 0.002 . 1 . . . . . 2088 G H . 52651 1 360 . 1 . 1 54 54 GLY HA2 H 1 3.983 0.001 . 2 . . . . . 2088 G HA2 . 52651 1 361 . 1 . 1 54 54 GLY C C 13 173.741 0.000 . 1 . . . . . 2088 G C . 52651 1 362 . 1 . 1 54 54 GLY CA C 13 45.420 0.005 . 1 . . . . . 2088 G CA . 52651 1 363 . 1 . 1 54 54 GLY N N 15 111.759 0.023 . 1 . . . . . 2088 G N . 52651 1 364 . 1 . 1 55 55 GLY H H 1 7.964 0.001 . 1 . . . . . 2089 G H . 52651 1 365 . 1 . 1 55 55 GLY HA2 H 1 3.766 0.000 . 2 . . . . . 2089 G HA2 . 52651 1 366 . 1 . 1 55 55 GLY CA C 13 45.823 0.000 . 1 . . . . . 2089 G CA . 52651 1 367 . 1 . 1 55 55 GLY N N 15 115.609 0.024 . 1 . . . . . 2089 G N . 52651 1 stop_ save_