###################################
# 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 51193
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name S-TM
_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 0.1
_Assigned_chem_shift_list.Chem_shift_13C_err 0.2
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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
4 '3D HNCACB' . . . 51193 1
5 '3D HNCO' . . . 51193 1
6 '3D HBHANH' . . . 51193 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
3 $software_3 . . 51193 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 21 21 MET HA H 1 4.364 0.020 . 1 . . . . . 0 MET HA . 51193 1
2 . 1 . 1 21 21 MET HB2 H 1 2.580 0.020 . 2 . . . . . 0 MET HB2 . 51193 1
3 . 1 . 1 21 21 MET C C 13 177.017 0.400 . 1 . . . . . 0 MET C . 51193 1
4 . 1 . 1 21 21 MET CA C 13 56.651 0.400 . 1 . . . . . 0 MET CA . 51193 1
5 . 1 . 1 21 21 MET CB C 13 32.534 0.400 . 1 . . . . . 0 MET CB . 51193 1
6 . 1 . 1 22 22 GLN H H 1 8.168 0.020 . 1 . . . . . 1201 GLN H . 51193 1
7 . 1 . 1 22 22 GLN HA H 1 4.197 0.020 . 1 . . . . . 1201 GLN HA . 51193 1
8 . 1 . 1 22 22 GLN HB2 H 1 2.130 0.020 . 2 . . . . . 1201 GLN HB2 . 51193 1
9 . 1 . 1 22 22 GLN C C 13 177.099 0.400 . 1 . . . . . 1201 GLN C . 51193 1
10 . 1 . 1 22 22 GLN CA C 13 57.573 0.400 . 1 . . . . . 1201 GLN CA . 51193 1
11 . 1 . 1 22 22 GLN CB C 13 28.989 0.400 . 1 . . . . . 1201 GLN CB . 51193 1
12 . 1 . 1 22 22 GLN N N 15 119.092 0.400 . 1 . . . . . 1201 GLN N . 51193 1
13 . 1 . 1 23 23 GLU H H 1 8.231 0.020 . 1 . . . . . 1202 GLU H . 51193 1
14 . 1 . 1 23 23 GLU HA H 1 4.292 0.020 . 1 . . . . . 1202 GLU HA . 51193 1
15 . 1 . 1 23 23 GLU HB3 H 1 2.139 0.020 . 2 . . . . . 1202 GLU HB3 . 51193 1
16 . 1 . 1 23 23 GLU C C 13 177.248 0.400 . 1 . . . . . 1202 GLU C . 51193 1
17 . 1 . 1 23 23 GLU CA C 13 57.439 0.400 . 1 . . . . . 1202 GLU CA . 51193 1
18 . 1 . 1 23 23 GLU CB C 13 29.673 0.400 . 1 . . . . . 1202 GLU CB . 51193 1
19 . 1 . 1 23 23 GLU N N 15 119.665 0.400 . 1 . . . . . 1202 GLU N . 51193 1
20 . 1 . 1 24 24 LEU H H 1 8.023 0.020 . 1 . . . . . 1203 LEU H . 51193 1
21 . 1 . 1 24 24 LEU HA H 1 4.289 0.020 . 1 . . . . . 1203 LEU HA . 51193 1
22 . 1 . 1 24 24 LEU HB2 H 1 1.772 0.020 . 2 . . . . . 1203 LEU HB2 . 51193 1
23 . 1 . 1 24 24 LEU C C 13 178.159 0.400 . 1 . . . . . 1203 LEU C . 51193 1
24 . 1 . 1 24 24 LEU CA C 13 56.529 0.400 . 1 . . . . . 1203 LEU CA . 51193 1
25 . 1 . 1 24 24 LEU CB C 13 42.434 0.400 . 1 . . . . . 1203 LEU CB . 51193 1
26 . 1 . 1 24 24 LEU N N 15 119.477 0.400 . 1 . . . . . 1203 LEU N . 51193 1
27 . 1 . 1 25 25 GLY H H 1 8.222 0.020 . 1 . . . . . 1204 GLY H . 51193 1
28 . 1 . 1 25 25 GLY HA2 H 1 3.971 0.020 . 2 . . . . . 1204 GLY HA2 . 51193 1
29 . 1 . 1 25 25 GLY C C 13 175.499 0.400 . 1 . . . . . 1204 GLY C . 51193 1
30 . 1 . 1 25 25 GLY CA C 13 46.595 0.400 . 1 . . . . . 1204 GLY CA . 51193 1
31 . 1 . 1 25 25 GLY N N 15 105.915 0.400 . 1 . . . . . 1204 GLY N . 51193 1
32 . 1 . 1 26 26 LYS H H 1 7.943 0.020 . 1 . . . . . 1205 LYS H . 51193 1
33 . 1 . 1 26 26 LYS HA H 1 4.200 0.020 . 1 . . . . . 1205 LYS HA . 51193 1
34 . 1 . 1 26 26 LYS HB2 H 1 1.694 0.020 . 2 . . . . . 1205 LYS HB2 . 51193 1
35 . 1 . 1 26 26 LYS C C 13 177.220 0.400 . 1 . . . . . 1205 LYS C . 51193 1
36 . 1 . 1 26 26 LYS CA C 13 57.670 0.400 . 1 . . . . . 1205 LYS CA . 51193 1
37 . 1 . 1 26 26 LYS CB C 13 31.866 0.400 . 1 . . . . . 1205 LYS CB . 51193 1
38 . 1 . 1 26 26 LYS N N 15 120.354 0.400 . 1 . . . . . 1205 LYS N . 51193 1
39 . 1 . 1 27 27 TYR H H 1 7.957 0.020 . 1 . . . . . 1206 TYR H . 51193 1
40 . 1 . 1 27 27 TYR HA H 1 4.743 0.020 . 1 . . . . . 1206 TYR HA . 51193 1
41 . 1 . 1 27 27 TYR HB2 H 1 3.277 0.020 . 2 . . . . . 1206 TYR HB2 . 51193 1
42 . 1 . 1 27 27 TYR HB3 H 1 2.965 0.020 . 2 . . . . . 1206 TYR HB3 . 51193 1
43 . 1 . 1 27 27 TYR C C 13 176.402 0.400 . 1 . . . . . 1206 TYR C . 51193 1
44 . 1 . 1 27 27 TYR CA C 13 58.923 0.400 . 1 . . . . . 1206 TYR CA . 51193 1
45 . 1 . 1 27 27 TYR CB C 13 38.224 0.400 . 1 . . . . . 1206 TYR CB . 51193 1
46 . 1 . 1 27 27 TYR N N 15 117.933 0.400 . 1 . . . . . 1206 TYR N . 51193 1
47 . 1 . 1 28 28 GLU H H 1 7.889 0.020 . 1 . . . . . 1207 GLU H . 51193 1
48 . 1 . 1 28 28 GLU HA H 1 3.937 0.020 . 1 . . . . . 1207 GLU HA . 51193 1
49 . 1 . 1 28 28 GLU HB2 H 1 2.074 0.020 . 2 . . . . . 1207 GLU HB2 . 51193 1
50 . 1 . 1 28 28 GLU C C 13 177.302 0.400 . 1 . . . . . 1207 GLU C . 51193 1
51 . 1 . 1 28 28 GLU CA C 13 59.368 0.400 . 1 . . . . . 1207 GLU CA . 51193 1
52 . 1 . 1 28 28 GLU CB C 13 29.905 0.400 . 1 . . . . . 1207 GLU CB . 51193 1
53 . 1 . 1 28 28 GLU N N 15 119.835 0.400 . 1 . . . . . 1207 GLU N . 51193 1
54 . 1 . 1 29 29 GLN H H 1 8.067 0.020 . 1 . . . . . 1208 GLN H . 51193 1
55 . 1 . 1 29 29 GLN HA H 1 4.019 0.020 . 1 . . . . . 1208 GLN HA . 51193 1
56 . 1 . 1 29 29 GLN HB2 H 1 1.831 0.020 . 2 . . . . . 1208 GLN HB2 . 51193 1
57 . 1 . 1 29 29 GLN C C 13 176.423 0.400 . 1 . . . . . 1208 GLN C . 51193 1
58 . 1 . 1 29 29 GLN CA C 13 57.443 0.400 . 1 . . . . . 1208 GLN CA . 51193 1
59 . 1 . 1 29 29 GLN CB C 13 28.438 0.400 . 1 . . . . . 1208 GLN CB . 51193 1
60 . 1 . 1 29 29 GLN N N 15 115.253 0.400 . 1 . . . . . 1208 GLN N . 51193 1
61 . 1 . 1 30 30 TYR H H 1 7.539 0.020 . 1 . . . . . 1209 TYR H . 51193 1
62 . 1 . 1 30 30 TYR HA H 1 4.095 0.020 . 1 . . . . . 1209 TYR HA . 51193 1
63 . 1 . 1 30 30 TYR HB2 H 1 3.026 0.020 . 2 . . . . . 1209 TYR HB2 . 51193 1
64 . 1 . 1 30 30 TYR HB3 H 1 2.892 0.020 . 2 . . . . . 1209 TYR HB3 . 51193 1
65 . 1 . 1 30 30 TYR C C 13 175.970 0.400 . 1 . . . . . 1209 TYR C . 51193 1
66 . 1 . 1 30 30 TYR CA C 13 59.009 0.400 . 1 . . . . . 1209 TYR CA . 51193 1
67 . 1 . 1 30 30 TYR CB C 13 38.749 0.400 . 1 . . . . . 1209 TYR CB . 51193 1
68 . 1 . 1 30 30 TYR N N 15 116.884 0.400 . 1 . . . . . 1209 TYR N . 51193 1
69 . 1 . 1 31 31 ILE H H 1 7.365 0.020 . 1 . . . . . 1210 ILE H . 51193 1
70 . 1 . 1 31 31 ILE HA H 1 4.200 0.020 . 1 . . . . . 1210 ILE HA . 51193 1
71 . 1 . 1 31 31 ILE HB H 1 2.024 0.020 . 1 . . . . . 1210 ILE HB . 51193 1
72 . 1 . 1 31 31 ILE C C 13 175.480 0.400 . 1 . . . . . 1210 ILE C . 51193 1
73 . 1 . 1 31 31 ILE CA C 13 61.469 0.400 . 1 . . . . . 1210 ILE CA . 51193 1
74 . 1 . 1 31 31 ILE CB C 13 38.145 0.400 . 1 . . . . . 1210 ILE CB . 51193 1
75 . 1 . 1 31 31 ILE N N 15 114.483 0.400 . 1 . . . . . 1210 ILE N . 51193 1
76 . 1 . 1 32 32 LYS H H 1 7.496 0.020 . 1 . . . . . 1211 LYS H . 51193 1
77 . 1 . 1 32 32 LYS HA H 1 4.333 0.020 . 1 . . . . . 1211 LYS HA . 51193 1
78 . 1 . 1 32 32 LYS HB2 H 1 1.772 0.020 . 2 . . . . . 1211 LYS HB2 . 51193 1
79 . 1 . 1 32 32 LYS C C 13 176.095 0.400 . 1 . . . . . 1211 LYS C . 51193 1
80 . 1 . 1 32 32 LYS CA C 13 56.362 0.400 . 1 . . . . . 1211 LYS CA . 51193 1
81 . 1 . 1 32 32 LYS CB C 13 32.097 0.400 . 1 . . . . . 1211 LYS CB . 51193 1
82 . 1 . 1 32 32 LYS N N 15 120.209 0.400 . 1 . . . . . 1211 LYS N . 51193 1
83 . 1 . 1 33 33 TRP H H 1 7.746 0.020 . 1 . . . . . 1212 TRP H . 51193 1
84 . 1 . 1 33 33 TRP C C 13 173.827 0.400 . 1 . . . . . 1212 TRP C . 51193 1
85 . 1 . 1 33 33 TRP CA C 13 54.277 0.400 . 1 . . . . . 1212 TRP CA . 51193 1
86 . 1 . 1 33 33 TRP CB C 13 29.149 0.400 . 1 . . . . . 1212 TRP CB . 51193 1
87 . 1 . 1 33 33 TRP N N 15 122.077 0.400 . 1 . . . . . 1212 TRP N . 51193 1
88 . 1 . 1 34 34 PRO HA H 1 4.820 0.020 . 1 . . . . . 1213 PRO HA . 51193 1
89 . 1 . 1 34 34 PRO C C 13 178.692 0.400 . 1 . . . . . 1213 PRO C . 51193 1
90 . 1 . 1 34 34 PRO CA C 13 62.255 0.400 . 1 . . . . . 1213 PRO CA . 51193 1
91 . 1 . 1 34 34 PRO CB C 13 32.751 0.400 . 1 . . . . . 1213 PRO CB . 51193 1
92 . 1 . 1 35 35 TRP H H 1 9.179 0.020 . 1 . . . . . 1214 TRP H . 51193 1
93 . 1 . 1 35 35 TRP C C 13 176.245 0.400 . 1 . . . . . 1214 TRP C . 51193 1
94 . 1 . 1 35 35 TRP CA C 13 60.018 0.400 . 1 . . . . . 1214 TRP CA . 51193 1
95 . 1 . 1 35 35 TRP CB C 13 33.359 0.400 . 1 . . . . . 1214 TRP CB . 51193 1
96 . 1 . 1 35 35 TRP N N 15 120.772 0.400 . 1 . . . . . 1214 TRP N . 51193 1
97 . 1 . 1 36 36 TYR HA H 1 3.814 0.020 . 1 . . . . . 1215 TYR HA . 51193 1
98 . 1 . 1 36 36 TYR C C 13 176.555 0.400 . 1 . . . . . 1215 TYR C . 51193 1
99 . 1 . 1 36 36 TYR CA C 13 58.580 0.400 . 1 . . . . . 1215 TYR CA . 51193 1
100 . 1 . 1 36 36 TYR N N 15 114.765 0.400 . 1 . . . . . 1215 TYR N . 51193 1
101 . 1 . 1 37 37 ILE H H 1 6.890 0.020 . 1 . . . . . 1216 ILE H . 51193 1
102 . 1 . 1 37 37 ILE HA H 1 3.684 0.020 . 1 . . . . . 1216 ILE HA . 51193 1
103 . 1 . 1 37 37 ILE HB H 1 1.615 0.020 . 1 . . . . . 1216 ILE HB . 51193 1
104 . 1 . 1 37 37 ILE C C 13 177.068 0.400 . 1 . . . . . 1216 ILE C . 51193 1
105 . 1 . 1 37 37 ILE CA C 13 62.844 0.400 . 1 . . . . . 1216 ILE CA . 51193 1
106 . 1 . 1 37 37 ILE CB C 13 35.395 0.400 . 1 . . . . . 1216 ILE CB . 51193 1
107 . 1 . 1 37 37 ILE N N 15 122.228 0.400 . 1 . . . . . 1216 ILE N . 51193 1
108 . 1 . 1 38 38 TRP H H 1 7.041 0.020 . 1 . . . . . 1217 TRP H . 51193 1
109 . 1 . 1 38 38 TRP HA H 1 4.492 0.020 . 1 . . . . . 1217 TRP HA . 51193 1
110 . 1 . 1 38 38 TRP C C 13 178.645 0.400 . 1 . . . . . 1217 TRP C . 51193 1
111 . 1 . 1 38 38 TRP CA C 13 60.723 0.400 . 1 . . . . . 1217 TRP CA . 51193 1
112 . 1 . 1 38 38 TRP CB C 13 30.177 0.400 . 1 . . . . . 1217 TRP CB . 51193 1
113 . 1 . 1 38 38 TRP N N 15 118.853 0.400 . 1 . . . . . 1217 TRP N . 51193 1
114 . 1 . 1 39 39 LEU H H 1 8.257 0.020 . 1 . . . . . 1218 LEU H . 51193 1
115 . 1 . 1 39 39 LEU HA H 1 4.259 0.020 . 1 . . . . . 1218 LEU HA . 51193 1
116 . 1 . 1 39 39 LEU C C 13 177.976 0.400 . 1 . . . . . 1218 LEU C . 51193 1
117 . 1 . 1 39 39 LEU CA C 13 58.197 0.400 . 1 . . . . . 1218 LEU CA . 51193 1
118 . 1 . 1 39 39 LEU CB C 13 42.493 0.400 . 1 . . . . . 1218 LEU CB . 51193 1
119 . 1 . 1 39 39 LEU N N 15 116.423 0.400 . 1 . . . . . 1218 LEU N . 51193 1
120 . 1 . 1 40 40 GLY H H 1 7.890 0.020 . 1 . . . . . 1219 GLY H . 51193 1
121 . 1 . 1 40 40 GLY HA2 H 1 4.440 0.020 . 2 . . . . . 1219 GLY HA2 . 51193 1
122 . 1 . 1 40 40 GLY HA3 H 1 3.619 0.020 . 2 . . . . . 1219 GLY HA3 . 51193 1
123 . 1 . 1 40 40 GLY C C 13 174.105 0.400 . 1 . . . . . 1219 GLY C . 51193 1
124 . 1 . 1 40 40 GLY CA C 13 47.712 0.400 . 1 . . . . . 1219 GLY CA . 51193 1
125 . 1 . 1 40 40 GLY N N 15 105.730 0.400 . 1 . . . . . 1219 GLY N . 51193 1
126 . 1 . 1 41 41 PHE H H 1 8.413 0.020 . 1 . . . . . 1220 PHE H . 51193 1
127 . 1 . 1 41 41 PHE HA H 1 4.199 0.020 . 1 . . . . . 1220 PHE HA . 51193 1
128 . 1 . 1 41 41 PHE HB2 H 1 3.334 0.020 . 2 . . . . . 1220 PHE HB2 . 51193 1
129 . 1 . 1 41 41 PHE HB3 H 1 3.061 0.020 . 2 . . . . . 1220 PHE HB3 . 51193 1
130 . 1 . 1 41 41 PHE C C 13 176.723 0.400 . 1 . . . . . 1220 PHE C . 51193 1
131 . 1 . 1 41 41 PHE CA C 13 61.152 0.400 . 1 . . . . . 1220 PHE CA . 51193 1
132 . 1 . 1 41 41 PHE CB C 13 39.129 0.400 . 1 . . . . . 1220 PHE CB . 51193 1
133 . 1 . 1 41 41 PHE N N 15 120.564 0.400 . 1 . . . . . 1220 PHE N . 51193 1
134 . 1 . 1 42 42 ILE H H 1 8.355 0.020 . 1 . . . . . 1221 ILE H . 51193 1
135 . 1 . 1 42 42 ILE HA H 1 3.577 0.020 . 1 . . . . . 1221 ILE HA . 51193 1
136 . 1 . 1 42 42 ILE HB H 1 2.158 0.020 . 1 . . . . . 1221 ILE HB . 51193 1
137 . 1 . 1 42 42 ILE C C 13 177.259 0.400 . 1 . . . . . 1221 ILE C . 51193 1
138 . 1 . 1 42 42 ILE CA C 13 64.853 0.400 . 1 . . . . . 1221 ILE CA . 51193 1
139 . 1 . 1 42 42 ILE CB C 13 37.565 0.400 . 1 . . . . . 1221 ILE CB . 51193 1
140 . 1 . 1 42 42 ILE N N 15 117.786 0.400 . 1 . . . . . 1221 ILE N . 51193 1
141 . 1 . 1 43 43 ALA H H 1 8.592 0.020 . 1 . . . . . 1222 ALA H . 51193 1
142 . 1 . 1 43 43 ALA HA H 1 3.923 0.020 . 1 . . . . . 1222 ALA HA . 51193 1
143 . 1 . 1 43 43 ALA HB1 H 1 1.414 0.020 . 1 . . . . . 1222 ALA HB1 . 51193 1
144 . 1 . 1 43 43 ALA HB2 H 1 1.414 0.020 . 1 . . . . . 1222 ALA HB2 . 51193 1
145 . 1 . 1 43 43 ALA HB3 H 1 1.414 0.020 . 1 . . . . . 1222 ALA HB3 . 51193 1
146 . 1 . 1 43 43 ALA C C 13 178.855 0.400 . 1 . . . . . 1222 ALA C . 51193 1
147 . 1 . 1 43 43 ALA CA C 13 55.647 0.400 . 1 . . . . . 1222 ALA CA . 51193 1
148 . 1 . 1 43 43 ALA CB C 13 17.818 0.400 . 1 . . . . . 1222 ALA CB . 51193 1
149 . 1 . 1 43 43 ALA N N 15 120.954 0.400 . 1 . . . . . 1222 ALA N . 51193 1
150 . 1 . 1 44 44 GLY H H 1 8.452 0.020 . 1 . . . . . 1223 GLY H . 51193 1
151 . 1 . 1 44 44 GLY HA2 H 1 4.019 0.020 . 2 . . . . . 1223 GLY HA2 . 51193 1
152 . 1 . 1 44 44 GLY HA3 H 1 3.507 0.020 . 2 . . . . . 1223 GLY HA3 . 51193 1
153 . 1 . 1 44 44 GLY C C 13 174.325 0.400 . 1 . . . . . 1223 GLY C . 51193 1
154 . 1 . 1 44 44 GLY CA C 13 47.175 0.400 . 1 . . . . . 1223 GLY CA . 51193 1
155 . 1 . 1 44 44 GLY N N 15 104.247 0.400 . 1 . . . . . 1223 GLY N . 51193 1
156 . 1 . 1 45 45 LEU H H 1 8.246 0.020 . 1 . . . . . 1224 LEU H . 51193 1
157 . 1 . 1 45 45 LEU HA H 1 3.928 0.020 . 1 . . . . . 1224 LEU HA . 51193 1
158 . 1 . 1 45 45 LEU HB2 H 1 1.597 0.020 . 2 . . . . . 1224 LEU HB2 . 51193 1
159 . 1 . 1 45 45 LEU C C 13 178.567 0.400 . 1 . . . . . 1224 LEU C . 51193 1
160 . 1 . 1 45 45 LEU CA C 13 58.323 0.400 . 1 . . . . . 1224 LEU CA . 51193 1
161 . 1 . 1 45 45 LEU CB C 13 41.611 0.400 . 1 . . . . . 1224 LEU CB . 51193 1
162 . 1 . 1 45 45 LEU N N 15 121.350 0.400 . 1 . . . . . 1224 LEU N . 51193 1
163 . 1 . 1 46 46 ILE H H 1 8.295 0.020 . 1 . . . . . 1225 ILE H . 51193 1
164 . 1 . 1 46 46 ILE HA H 1 3.454 0.020 . 1 . . . . . 1225 ILE HA . 51193 1
165 . 1 . 1 46 46 ILE C C 13 177.600 0.400 . 1 . . . . . 1225 ILE C . 51193 1
166 . 1 . 1 46 46 ILE CA C 13 65.747 0.400 . 1 . . . . . 1225 ILE CA . 51193 1
167 . 1 . 1 46 46 ILE CB C 13 37.331 0.400 . 1 . . . . . 1225 ILE CB . 51193 1
168 . 1 . 1 46 46 ILE N N 15 117.784 0.400 . 1 . . . . . 1225 ILE N . 51193 1
169 . 1 . 1 47 47 ALA H H 1 8.442 0.020 . 1 . . . . . 1226 ALA H . 51193 1
170 . 1 . 1 47 47 ALA HA H 1 3.944 0.020 . 1 . . . . . 1226 ALA HA . 51193 1
171 . 1 . 1 47 47 ALA HB1 H 1 1.443 0.020 . 1 . . . . . 1226 ALA HB1 . 51193 1
172 . 1 . 1 47 47 ALA HB2 H 1 1.443 0.020 . 1 . . . . . 1226 ALA HB2 . 51193 1
173 . 1 . 1 47 47 ALA HB3 H 1 1.443 0.020 . 1 . . . . . 1226 ALA HB3 . 51193 1
174 . 1 . 1 47 47 ALA C C 13 178.887 0.400 . 1 . . . . . 1226 ALA C . 51193 1
175 . 1 . 1 47 47 ALA CA C 13 56.136 0.400 . 1 . . . . . 1226 ALA CA . 51193 1
176 . 1 . 1 47 47 ALA CB C 13 17.595 0.400 . 1 . . . . . 1226 ALA CB . 51193 1
177 . 1 . 1 47 47 ALA N N 15 121.429 0.400 . 1 . . . . . 1226 ALA N . 51193 1
178 . 1 . 1 48 48 ILE H H 1 8.315 0.020 . 1 . . . . . 1227 ILE H . 51193 1
179 . 1 . 1 48 48 ILE HA H 1 3.624 0.020 . 1 . . . . . 1227 ILE HA . 51193 1
180 . 1 . 1 48 48 ILE C C 13 179.156 0.400 . 1 . . . . . 1227 ILE C . 51193 1
181 . 1 . 1 48 48 ILE CA C 13 65.462 0.400 . 1 . . . . . 1227 ILE CA . 51193 1
182 . 1 . 1 48 48 ILE CB C 13 37.698 0.400 . 1 . . . . . 1227 ILE CB . 51193 1
183 . 1 . 1 48 48 ILE N N 15 116.567 0.400 . 1 . . . . . 1227 ILE N . 51193 1
184 . 1 . 1 49 49 VAL H H 1 8.482 0.020 . 1 . . . . . 1228 VAL H . 51193 1
185 . 1 . 1 49 49 VAL HA H 1 3.509 0.020 . 1 . . . . . 1228 VAL HA . 51193 1
186 . 1 . 1 49 49 VAL HB H 1 2.311 0.020 . 1 . . . . . 1228 VAL HB . 51193 1
187 . 1 . 1 49 49 VAL C C 13 177.479 0.400 . 1 . . . . . 1228 VAL C . 51193 1
188 . 1 . 1 49 49 VAL CA C 13 67.738 0.400 . 1 . . . . . 1228 VAL CA . 51193 1
189 . 1 . 1 49 49 VAL CB C 13 31.087 0.400 . 1 . . . . . 1228 VAL CB . 51193 1
190 . 1 . 1 49 49 VAL N N 15 122.867 0.400 . 1 . . . . . 1228 VAL N . 51193 1
191 . 1 . 1 50 50 MET H H 1 8.724 0.020 . 1 . . . . . 1229 MET H . 51193 1
192 . 1 . 1 50 50 MET HA H 1 4.145 0.020 . 1 . . . . . 1229 MET HA . 51193 1
193 . 1 . 1 50 50 MET C C 13 178.476 0.400 . 1 . . . . . 1229 MET C . 51193 1
194 . 1 . 1 50 50 MET CA C 13 59.446 0.400 . 1 . . . . . 1229 MET CA . 51193 1
195 . 1 . 1 50 50 MET CB C 13 32.279 0.400 . 1 . . . . . 1229 MET CB . 51193 1
196 . 1 . 1 50 50 MET N N 15 117.822 0.400 . 1 . . . . . 1229 MET N . 51193 1
197 . 1 . 1 51 51 VAL H H 1 8.663 0.020 . 1 . . . . . 1230 VAL H . 51193 1
198 . 1 . 1 51 51 VAL HA H 1 3.610 0.020 . 1 . . . . . 1230 VAL HA . 51193 1
199 . 1 . 1 51 51 VAL HB H 1 2.278 0.020 . 1 . . . . . 1230 VAL HB . 51193 1
200 . 1 . 1 51 51 VAL C C 13 177.274 0.400 . 1 . . . . . 1230 VAL C . 51193 1
201 . 1 . 1 51 51 VAL CA C 13 67.208 0.400 . 1 . . . . . 1230 VAL CA . 51193 1
202 . 1 . 1 51 51 VAL N N 15 118.355 0.400 . 1 . . . . . 1230 VAL N . 51193 1
203 . 1 . 1 52 52 THR H H 1 8.179 0.020 . 1 . . . . . 1231 THR H . 51193 1
204 . 1 . 1 52 52 THR HA H 1 4.404 0.020 . 1 . . . . . 1231 THR HA . 51193 1
205 . 1 . 1 52 52 THR HB H 1 3.949 0.020 . 1 . . . . . 1231 THR HB . 51193 1
206 . 1 . 1 52 52 THR C C 13 177.356 0.400 . 1 . . . . . 1231 THR C . 51193 1
207 . 1 . 1 52 52 THR CA C 13 68.430 0.400 . 1 . . . . . 1231 THR CA . 51193 1
208 . 1 . 1 52 52 THR N N 15 116.516 0.400 . 1 . . . . . 1231 THR N . 51193 1
209 . 1 . 1 53 53 ILE H H 1 8.367 0.020 . 1 . . . . . 1232 ILE H . 51193 1
210 . 1 . 1 53 53 ILE HA H 1 3.691 0.020 . 1 . . . . . 1232 ILE HA . 51193 1
211 . 1 . 1 53 53 ILE HB H 1 2.038 0.020 . 1 . . . . . 1232 ILE HB . 51193 1
212 . 1 . 1 53 53 ILE C C 13 178.783 0.400 . 1 . . . . . 1232 ILE C . 51193 1
213 . 1 . 1 53 53 ILE CA C 13 65.586 0.400 . 1 . . . . . 1232 ILE CA . 51193 1
214 . 1 . 1 53 53 ILE CB C 13 37.875 0.400 . 1 . . . . . 1232 ILE CB . 51193 1
215 . 1 . 1 53 53 ILE N N 15 121.683 0.400 . 1 . . . . . 1232 ILE N . 51193 1
216 . 1 . 1 54 54 MET H H 1 8.348 0.020 . 1 . . . . . 1233 MET H . 51193 1
217 . 1 . 1 54 54 MET HA H 1 4.159 0.020 . 1 . . . . . 1233 MET HA . 51193 1
218 . 1 . 1 54 54 MET C C 13 178.574 0.400 . 1 . . . . . 1233 MET C . 51193 1
219 . 1 . 1 54 54 MET CA C 13 59.128 0.400 . 1 . . . . . 1233 MET CA . 51193 1
220 . 1 . 1 54 54 MET N N 15 119.797 0.400 . 1 . . . . . 1233 MET N . 51193 1
221 . 1 . 1 55 55 LEU H H 1 8.612 0.020 . 1 . . . . . 1234 LEU H . 51193 1
222 . 1 . 1 55 55 LEU HA H 1 4.213 0.020 . 1 . . . . . 1234 LEU HA . 51193 1
223 . 1 . 1 55 55 LEU HB2 H 1 1.918 0.020 . 2 . . . . . 1234 LEU HB2 . 51193 1
224 . 1 . 1 55 55 LEU HB3 H 1 1.597 0.020 . 2 . . . . . 1234 LEU HB3 . 51193 1
225 . 1 . 1 55 55 LEU C C 13 178.988 0.400 . 1 . . . . . 1234 LEU C . 51193 1
226 . 1 . 1 55 55 LEU CA C 13 57.479 0.400 . 1 . . . . . 1234 LEU CA . 51193 1
227 . 1 . 1 55 55 LEU CB C 13 42.353 0.400 . 1 . . . . . 1234 LEU CB . 51193 1
228 . 1 . 1 55 55 LEU N N 15 118.096 0.400 . 1 . . . . . 1234 LEU N . 51193 1
229 . 1 . 1 56 56 SER H H 1 8.036 0.020 . 1 . . . . . 1235 SER H . 51193 1
230 . 1 . 1 56 56 SER HA H 1 4.298 0.020 . 1 . . . . . 1235 SER HA . 51193 1
231 . 1 . 1 56 56 SER HB2 H 1 4.039 0.020 . 2 . . . . . 1235 SER HB2 . 51193 1
232 . 1 . 1 56 56 SER C C 13 175.359 0.400 . 1 . . . . . 1235 SER C . 51193 1
233 . 1 . 1 56 56 SER CA C 13 61.074 0.400 . 1 . . . . . 1235 SER CA . 51193 1
234 . 1 . 1 56 56 SER CB C 13 63.625 0.400 . 1 . . . . . 1235 SER CB . 51193 1
235 . 1 . 1 56 56 SER N N 15 113.408 0.400 . 1 . . . . . 1235 SER N . 51193 1
236 . 1 . 1 57 57 SER H H 1 7.883 0.020 . 1 . . . . . 1236 SER H . 51193 1
237 . 1 . 1 57 57 SER HA H 1 4.501 0.020 . 1 . . . . . 1236 SER HA . 51193 1
238 . 1 . 1 57 57 SER HB2 H 1 4.007 0.020 . 2 . . . . . 1236 SER HB2 . 51193 1
239 . 1 . 1 57 57 SER C C 13 174.919 0.400 . 1 . . . . . 1236 SER C . 51193 1
240 . 1 . 1 57 57 SER CA C 13 59.893 0.400 . 1 . . . . . 1236 SER CA . 51193 1
241 . 1 . 1 57 57 SER CB C 13 63.944 0.400 . 1 . . . . . 1236 SER CB . 51193 1
242 . 1 . 1 57 57 SER N N 15 115.042 0.400 . 1 . . . . . 1236 SER N . 51193 1
243 . 1 . 1 58 58 MET H H 1 7.865 0.020 . 1 . . . . . 1237 MET H . 51193 1
244 . 1 . 1 58 58 MET HA H 1 4.250 0.020 . 1 . . . . . 1237 MET HA . 51193 1
245 . 1 . 1 58 58 MET HB2 H 1 2.214 0.020 . 2 . . . . . 1237 MET HB2 . 51193 1
246 . 1 . 1 58 58 MET C C 13 176.086 0.400 . 1 . . . . . 1237 MET C . 51193 1
247 . 1 . 1 58 58 MET CA C 13 56.573 0.400 . 1 . . . . . 1237 MET CA . 51193 1
248 . 1 . 1 58 58 MET CB C 13 33.586 0.400 . 1 . . . . . 1237 MET CB . 51193 1
249 . 1 . 1 58 58 MET N N 15 119.832 0.400 . 1 . . . . . 1237 MET N . 51193 1
250 . 1 . 1 59 59 THR H H 1 7.825 0.020 . 1 . . . . . 1238 THR H . 51193 1
251 . 1 . 1 59 59 THR HA H 1 4.419 0.020 . 1 . . . . . 1238 THR HA . 51193 1
252 . 1 . 1 59 59 THR C C 13 173.633 0.400 . 1 . . . . . 1238 THR C . 51193 1
253 . 1 . 1 59 59 THR CA C 13 61.707 0.400 . 1 . . . . . 1238 THR CA . 51193 1
254 . 1 . 1 59 59 THR CB C 13 70.114 0.400 . 1 . . . . . 1238 THR CB . 51193 1
255 . 1 . 1 59 59 THR N N 15 111.713 0.400 . 1 . . . . . 1238 THR N . 51193 1
256 . 1 . 1 60 60 SER H H 1 7.812 0.020 . 1 . . . . . 1239 SER H . 51193 1
257 . 1 . 1 60 60 SER C C 13 173.633 0.400 . 1 . . . . . 1239 SER C . 51193 1
258 . 1 . 1 60 60 SER CA C 13 60.335 0.400 . 1 . . . . . 1239 SER CA . 51193 1
259 . 1 . 1 60 60 SER CB C 13 65.084 0.400 . 1 . . . . . 1239 SER CB . 51193 1
260 . 1 . 1 60 60 SER N N 15 122.793 0.400 . 1 . . . . . 1239 SER N . 51193 1
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