###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27923
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 27923 1
2 '3D HNCACB' . . . 27923 1
3 '3D CBCA(CO)NH' . . . 27923 1
4 '3D HNCO' . . . 27923 1
5 '3D HN(CA)CO' . . . 27923 1
6 '3D HN(COCA)NH' . . . 27923 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
2 $CARA . . 27923 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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 3 3 VAL H H 1 8.142 0.020 . 1 . . . . . 86 VAL H . 27923 1
2 . 1 1 3 3 VAL C C 13 175.419 0.3 . 1 . . . . . 86 VAL C . 27923 1
3 . 1 1 3 3 VAL CA C 13 62.474 0.3 . 1 . . . . . 86 VAL CA . 27923 1
4 . 1 1 3 3 VAL CB C 13 32.651 0.3 . 1 . . . . . 86 VAL CB . 27923 1
5 . 1 1 3 3 VAL N N 15 121.278 0.3 . 1 . . . . . 86 VAL N . 27923 1
6 . 1 1 4 4 GLU H H 1 8.341 0.020 . 1 . . . . . 87 GLU H . 27923 1
7 . 1 1 4 4 GLU C C 13 175.706 0.3 . 1 . . . . . 87 GLU C . 27923 1
8 . 1 1 4 4 GLU CA C 13 56.361 0.3 . 1 . . . . . 87 GLU CA . 27923 1
9 . 1 1 4 4 GLU CB C 13 30.685 0.3 . 1 . . . . . 87 GLU CB . 27923 1
10 . 1 1 4 4 GLU N N 15 124.001 0.3 . 1 . . . . . 87 GLU N . 27923 1
11 . 1 1 5 5 GLY H H 1 8.060 0.020 . 1 . . . . . 88 GLY H . 27923 1
12 . 1 1 5 5 GLY C C 13 171.207 0.3 . 1 . . . . . 88 GLY C . 27923 1
13 . 1 1 5 5 GLY CA C 13 44.854 0.3 . 1 . . . . . 88 GLY CA . 27923 1
14 . 1 1 5 5 GLY N N 15 109.874 0.3 . 1 . . . . . 88 GLY N . 27923 1
15 . 1 1 7 7 ASP H H 1 8.268 0.020 . 1 . . . . . 90 ASP H . 27923 1
16 . 1 1 7 7 ASP C C 13 175.512 0.3 . 1 . . . . . 90 ASP C . 27923 1
17 . 1 1 7 7 ASP CA C 13 54.554 0.3 . 1 . . . . . 90 ASP CA . 27923 1
18 . 1 1 7 7 ASP CB C 13 40.930 0.3 . 1 . . . . . 90 ASP CB . 27923 1
19 . 1 1 7 7 ASP N N 15 119.512 0.3 . 1 . . . . . 90 ASP N . 27923 1
20 . 1 1 8 8 VAL H H 1 7.753 0.020 . 1 . . . . . 91 VAL H . 27923 1
21 . 1 1 8 8 VAL C C 13 175.338 0.3 . 1 . . . . . 91 VAL C . 27923 1
22 . 1 1 8 8 VAL CA C 13 62.548 0.3 . 1 . . . . . 91 VAL CA . 27923 1
23 . 1 1 8 8 VAL CB C 13 32.725 0.3 . 1 . . . . . 91 VAL CB . 27923 1
24 . 1 1 8 8 VAL N N 15 119.884 0.3 . 1 . . . . . 91 VAL N . 27923 1
25 . 1 1 9 9 ILE H H 1 7.988 0.020 . 1 . . . . . 92 ILE H . 27923 1
26 . 1 1 9 9 ILE C C 13 175.583 0.3 . 1 . . . . . 92 ILE C . 27923 1
27 . 1 1 9 9 ILE CA C 13 61.348 0.3 . 1 . . . . . 92 ILE CA . 27923 1
28 . 1 1 9 9 ILE CB C 13 38.336 0.3 . 1 . . . . . 92 ILE CB . 27923 1
29 . 1 1 9 9 ILE N N 15 124.469 0.3 . 1 . . . . . 92 ILE N . 27923 1
30 . 1 1 10 10 MET H H 1 8.251 0.020 . 1 . . . . . 93 MET H . 27923 1
31 . 1 1 10 10 MET C C 13 175.297 0.3 . 1 . . . . . 93 MET C . 27923 1
32 . 1 1 10 10 MET CA C 13 55.352 0.3 . 1 . . . . . 93 MET CA . 27923 1
33 . 1 1 10 10 MET CB C 13 32.817 0.3 . 1 . . . . . 93 MET CB . 27923 1
34 . 1 1 10 10 MET N N 15 124.666 0.3 . 1 . . . . . 93 MET N . 27923 1
35 . 1 1 11 11 LYS H H 1 8.144 0.020 . 1 . . . . . 94 LYS H . 27923 1
36 . 1 1 11 11 LYS C C 13 176.156 0.3 . 1 . . . . . 94 LYS C . 27923 1
37 . 1 1 11 11 LYS CA C 13 56.361 0.3 . 1 . . . . . 94 LYS CA . 27923 1
38 . 1 1 11 11 LYS CB C 13 33.115 0.3 . 1 . . . . . 94 LYS CB . 27923 1
39 . 1 1 11 11 LYS N N 15 123.027 0.3 . 1 . . . . . 94 LYS N . 27923 1
40 . 1 1 12 12 GLY H H 1 8.238 0.020 . 1 . . . . . 95 GLY H . 27923 1
41 . 1 1 12 12 GLY C C 13 172.976 0.3 . 1 . . . . . 95 GLY C . 27923 1
42 . 1 1 12 12 GLY CA C 13 44.949 0.3 . 1 . . . . . 95 GLY CA . 27923 1
43 . 1 1 12 12 GLY N N 15 109.890 0.3 . 1 . . . . . 95 GLY N . 27923 1
44 . 1 1 13 13 PHE H H 1 7.908 0.020 . 1 . . . . . 96 PHE H . 27923 1
45 . 1 1 13 13 PHE C C 13 174.724 0.3 . 1 . . . . . 96 PHE C . 27923 1
46 . 1 1 13 13 PHE CA C 13 57.545 0.3 . 1 . . . . . 96 PHE CA . 27923 1
47 . 1 1 13 13 PHE CB C 13 39.952 0.3 . 1 . . . . . 96 PHE CB . 27923 1
48 . 1 1 13 13 PHE N N 15 119.675 0.3 . 1 . . . . . 96 PHE N . 27923 1
49 . 1 1 14 14 ALA H H 1 8.140 0.020 . 1 . . . . . 97 ALA H . 27923 1
50 . 1 1 14 14 ALA C C 13 176.718 0.3 . 1 . . . . . 97 ALA C . 27923 1
51 . 1 1 14 14 ALA CA C 13 52.462 0.3 . 1 . . . . . 97 ALA CA . 27923 1
52 . 1 1 14 14 ALA CB C 13 19.464 0.3 . 1 . . . . . 97 ALA CB . 27923 1
53 . 1 1 14 14 ALA N N 15 125.385 0.3 . 1 . . . . . 97 ALA N . 27923 1
54 . 1 1 15 15 GLU H H 1 8.223 0.020 . 1 . . . . . 98 GLU H . 27923 1
55 . 1 1 15 15 GLU C C 13 175.614 0.3 . 1 . . . . . 98 GLU C . 27923 1
56 . 1 1 15 15 GLU CA C 13 56.361 0.3 . 1 . . . . . 98 GLU CA . 27923 1
57 . 1 1 15 15 GLU CB C 13 30.115 0.3 . 1 . . . . . 98 GLU CB . 27923 1
58 . 1 1 15 15 GLU N N 15 120.233 0.3 . 1 . . . . . 98 GLU N . 27923 1
59 . 1 1 16 16 ASP H H 1 8.196 0.020 . 1 . . . . . 99 ASP H . 27923 1
60 . 1 1 16 16 ASP C C 13 175.951 0.3 . 1 . . . . . 99 ASP C . 27923 1
61 . 1 1 16 16 ASP CA C 13 54.649 0.3 . 1 . . . . . 99 ASP CA . 27923 1
62 . 1 1 16 16 ASP CB C 13 41.051 0.3 . 1 . . . . . 99 ASP CB . 27923 1
63 . 1 1 16 16 ASP N N 15 120.663 0.3 . 1 . . . . . 99 ASP N . 27923 1
64 . 1 1 17 17 GLY H H 1 8.138 0.020 . 1 . . . . . 100 GLY H . 27923 1
65 . 1 1 17 17 GLY C C 13 173.201 0.3 . 1 . . . . . 100 GLY C . 27923 1
66 . 1 1 17 17 GLY CA C 13 45.425 0.3 . 1 . . . . . 100 GLY CA . 27923 1
67 . 1 1 17 17 GLY N N 15 109.139 0.3 . 1 . . . . . 100 GLY N . 27923 1
68 . 1 1 18 18 ASP H H 1 8.105 0.020 . 1 . . . . . 101 ASP H . 27923 1
69 . 1 1 18 18 ASP C C 13 175.788 0.3 . 1 . . . . . 101 ASP C . 27923 1
70 . 1 1 18 18 ASP CA C 13 54.348 0.3 . 1 . . . . . 101 ASP CA . 27923 1
71 . 1 1 18 18 ASP CB C 13 41.359 0.3 . 1 . . . . . 101 ASP CB . 27923 1
72 . 1 1 18 18 ASP N N 15 120.352 0.3 . 1 . . . . . 101 ASP N . 27923 1
73 . 1 1 19 19 GLU H H 1 8.316 0.020 . 1 . . . . . 102 GLU H . 27923 1
74 . 1 1 19 19 GLU C C 13 175.624 0.3 . 1 . . . . . 102 GLU C . 27923 1
75 . 1 1 19 19 GLU CA C 13 56.836 0.3 . 1 . . . . . 102 GLU CA . 27923 1
76 . 1 1 19 19 GLU CB C 13 30.115 0.3 . 1 . . . . . 102 GLU CB . 27923 1
77 . 1 1 19 19 GLU N N 15 120.961 0.3 . 1 . . . . . 102 GLU N . 27923 1
78 . 1 1 20 20 ASP H H 1 8.203 0.020 . 1 . . . . . 103 ASP H . 27923 1
79 . 1 1 20 20 ASP C C 13 175.368 0.3 . 1 . . . . . 103 ASP C . 27923 1
80 . 1 1 20 20 ASP CA C 13 54.364 0.3 . 1 . . . . . 103 ASP CA . 27923 1
81 . 1 1 20 20 ASP CB C 13 41.051 0.3 . 1 . . . . . 103 ASP CB . 27923 1
82 . 1 1 20 20 ASP N N 15 121.046 0.3 . 1 . . . . . 103 ASP N . 27923 1
83 . 1 1 22 22 VAL H H 1 7.880 0.020 . 1 . . . . . 105 VAL H . 27923 1
84 . 1 1 22 22 VAL C C 13 175.534 0.3 . 1 . . . . . 105 VAL C . 27923 1
85 . 1 1 22 22 VAL CA C 13 62.394 0.3 . 1 . . . . . 105 VAL CA . 27923 1
86 . 1 1 22 22 VAL CB C 13 32.345 0.3 . 1 . . . . . 105 VAL CB . 27923 1
87 . 1 1 22 22 VAL N N 15 120.144 0.3 . 1 . . . . . 105 VAL N . 27923 1
88 . 1 1 23 23 LEU H H 1 8.084 0.020 . 1 . . . . . 106 LEU H . 27923 1
89 . 1 1 23 23 LEU C C 13 176.493 0.3 . 1 . . . . . 106 LEU C . 27923 1
90 . 1 1 23 23 LEU CA C 13 55.315 0.3 . 1 . . . . . 106 LEU CA . 27923 1
91 . 1 1 23 23 LEU CB C 13 42.192 0.3 . 1 . . . . . 106 LEU CB . 27923 1
92 . 1 1 23 23 LEU N N 15 125.527 0.3 . 1 . . . . . 106 LEU N . 27923 1
93 . 1 1 24 24 GLU H H 1 8.052 0.020 . 1 . . . . . 107 GLU H . 27923 1
94 . 1 1 24 24 GLU C C 13 175.109 0.3 . 1 . . . . . 107 GLU C . 27923 1
95 . 1 1 24 24 GLU CA C 13 56.404 0.3 . 1 . . . . . 107 GLU CA . 27923 1
96 . 1 1 24 24 GLU CB C 13 30.633 0.3 . 1 . . . . . 107 GLU CB . 27923 1
97 . 1 1 24 24 GLU N N 15 121.324 0.3 . 1 . . . . . 107 GLU N . 27923 1
98 . 1 1 25 25 TYR H H 1 8.028 0.020 . 1 . . . . . 108 TYR H . 27923 1
99 . 1 1 25 25 TYR C C 13 174.901 0.3 . 1 . . . . . 108 TYR C . 27923 1
100 . 1 1 25 25 TYR CA C 13 57.925 0.3 . 1 . . . . . 108 TYR CA . 27923 1
101 . 1 1 25 25 TYR CB C 13 38.906 0.3 . 1 . . . . . 108 TYR CB . 27923 1
102 . 1 1 25 25 TYR N N 15 121.458 0.3 . 1 . . . . . 108 TYR N . 27923 1
103 . 1 1 26 26 ILE H H 1 7.887 0.020 . 1 . . . . . 109 ILE H . 27923 1
104 . 1 1 26 26 ILE C C 13 175.701 0.3 . 1 . . . . . 109 ILE C . 27923 1
105 . 1 1 26 26 ILE CA C 13 61.348 0.3 . 1 . . . . . 109 ILE CA . 27923 1
106 . 1 1 26 26 ILE CB C 13 38.906 0.3 . 1 . . . . . 109 ILE CB . 27923 1
107 . 1 1 26 26 ILE N N 15 123.822 0.3 . 1 . . . . . 109 ILE N . 27923 1
108 . 1 1 27 27 GLY H H 1 7.948 0.020 . 1 . . . . . 110 GLY H . 27923 1
109 . 1 1 27 27 GLY C C 13 173.384 0.3 . 1 . . . . . 110 GLY C . 27923 1
110 . 1 1 27 27 GLY CA C 13 45.425 0.3 . 1 . . . . . 110 GLY CA . 27923 1
111 . 1 1 27 27 GLY N N 15 112.424 0.3 . 1 . . . . . 110 GLY N . 27923 1
112 . 1 1 28 28 SER H H 1 8.052 0.020 . 1 . . . . . 111 SER H . 27923 1
113 . 1 1 28 28 SER C C 13 174.251 0.3 . 1 . . . . . 111 SER C . 27923 1
114 . 1 1 28 28 SER CA C 13 58.548 0.3 . 1 . . . . . 111 SER CA . 27923 1
115 . 1 1 28 28 SER CB C 13 63.968 0.3 . 1 . . . . . 111 SER CB . 27923 1
116 . 1 1 28 28 SER N N 15 115.320 0.3 . 1 . . . . . 111 SER N . 27923 1
117 . 1 1 29 29 GLU H H 1 8.528 0.020 . 1 . . . . . 112 GLU H . 27923 1
118 . 1 1 29 29 GLU C C 13 176.218 0.3 . 1 . . . . . 112 GLU C . 27923 1
119 . 1 1 29 29 GLU CA C 13 56.931 0.3 . 1 . . . . . 112 GLU CA . 27923 1
120 . 1 1 29 29 GLU CB C 13 30.020 0.3 . 1 . . . . . 112 GLU CB . 27923 1
121 . 1 1 29 29 GLU N N 15 122.772 0.3 . 1 . . . . . 112 GLU N . 27923 1
122 . 1 1 30 30 THR H H 1 7.945 0.020 . 1 . . . . . 113 THR H . 27923 1
123 . 1 1 30 30 THR C C 13 173.868 0.3 . 1 . . . . . 113 THR C . 27923 1
124 . 1 1 30 30 THR CA C 13 62.447 0.3 . 1 . . . . . 113 THR CA . 27923 1
125 . 1 1 30 30 THR CB C 13 69.579 0.3 . 1 . . . . . 113 THR CB . 27923 1
126 . 1 1 30 30 THR N N 15 114.097 0.3 . 1 . . . . . 113 THR N . 27923 1
127 . 1 1 31 31 GLU H H 1 8.075 0.020 . 1 . . . . . 114 GLU H . 27923 1
128 . 1 1 31 31 GLU C C 13 175.451 0.3 . 1 . . . . . 114 GLU C . 27923 1
129 . 1 1 31 31 GLU CA C 13 56.456 0.3 . 1 . . . . . 114 GLU CA . 27923 1
130 . 1 1 31 31 GLU CB C 13 30.115 0.3 . 1 . . . . . 114 GLU CB . 27923 1
131 . 1 1 31 31 GLU N N 15 122.619 0.3 . 1 . . . . . 114 GLU N . 27923 1
132 . 1 1 32 32 HIS H H 1 8.311 0.020 . 1 . . . . . 115 HIS H . 27923 1
133 . 1 1 32 32 HIS C C 13 173.851 0.3 . 1 . . . . . 115 HIS C . 27923 1
134 . 1 1 32 32 HIS CA C 13 55.347 0.3 . 1 . . . . . 115 HIS CA . 27923 1
135 . 1 1 32 32 HIS CB C 13 29.238 0.3 . 1 . . . . . 115 HIS CB . 27923 1
136 . 1 1 32 32 HIS N N 15 120.053 0.3 . 1 . . . . . 115 HIS N . 27923 1
137 . 1 1 33 33 VAL H H 1 8.027 0.020 . 1 . . . . . 116 VAL H . 27923 1
138 . 1 1 33 33 VAL C C 13 175.334 0.3 . 1 . . . . . 116 VAL C . 27923 1
139 . 1 1 33 33 VAL CA C 13 62.394 0.3 . 1 . . . . . 116 VAL CA . 27923 1
140 . 1 1 33 33 VAL CB C 13 32.820 0.3 . 1 . . . . . 116 VAL CB . 27923 1
141 . 1 1 33 33 VAL N N 15 122.045 0.3 . 1 . . . . . 116 VAL N . 27923 1
142 . 1 1 34 34 GLN H H 1 8.408 0.020 . 1 . . . . . 117 GLN H . 27923 1
143 . 1 1 34 34 GLN C C 13 175.151 0.3 . 1 . . . . . 117 GLN C . 27923 1
144 . 1 1 34 34 GLN CA C 13 55.790 0.3 . 1 . . . . . 117 GLN CA . 27923 1
145 . 1 1 34 34 GLN CB C 13 29.544 0.3 . 1 . . . . . 117 GLN CB . 27923 1
146 . 1 1 34 34 GLN N N 15 124.541 0.3 . 1 . . . . . 117 GLN N . 27923 1
147 . 1 1 35 35 SER H H 1 8.276 0.020 . 1 . . . . . 118 SER H . 27923 1
148 . 1 1 35 35 SER C C 13 173.543 0.3 . 1 . . . . . 118 SER C . 27923 1
149 . 1 1 35 35 SER CA C 13 58.072 0.3 . 1 . . . . . 118 SER CA . 27923 1
150 . 1 1 35 35 SER CB C 13 63.968 0.3 . 1 . . . . . 118 SER CB . 27923 1
151 . 1 1 35 35 SER N N 15 118.003 0.3 . 1 . . . . . 118 SER N . 27923 1
152 . 1 1 36 36 THR H H 1 8.099 0.020 . 1 . . . . . 119 THR H . 27923 1
153 . 1 1 36 36 THR C C 13 172.185 0.3 . 1 . . . . . 119 THR C . 27923 1
154 . 1 1 36 36 THR CA C 13 59.732 0.3 . 1 . . . . . 119 THR CA . 27923 1
155 . 1 1 36 36 THR CB C 13 69.812 0.3 . 1 . . . . . 119 THR CB . 27923 1
156 . 1 1 36 36 THR N N 15 118.225 0.3 . 1 . . . . . 119 THR N . 27923 1
157 . 1 1 38 38 ALA H H 1 8.319 0.020 . 1 . . . . . 121 ALA H . 27923 1
158 . 1 1 38 38 ALA C C 13 177.776 0.3 . 1 . . . . . 121 ALA C . 27923 1
159 . 1 1 38 38 ALA CA C 13 52.557 0.3 . 1 . . . . . 121 ALA CA . 27923 1
160 . 1 1 38 38 ALA CB C 13 19.179 0.3 . 1 . . . . . 121 ALA CB . 27923 1
161 . 1 1 38 38 ALA N N 15 124.716 0.3 . 1 . . . . . 121 ALA N . 27923 1
162 . 1 1 39 39 GLY H H 1 8.255 0.020 . 1 . . . . . 122 GLY H . 27923 1
163 . 1 1 39 39 GLY C C 13 174.072 0.3 . 1 . . . . . 122 GLY C . 27923 1
164 . 1 1 39 39 GLY CA C 13 45.425 0.3 . 1 . . . . . 122 GLY CA . 27923 1
165 . 1 1 39 39 GLY N N 15 108.261 0.3 . 1 . . . . . 122 GLY N . 27923 1
166 . 1 1 40 40 GLY H H 1 8.103 0.020 . 1 . . . . . 123 GLY H . 27923 1
167 . 1 1 40 40 GLY C C 13 173.636 0.3 . 1 . . . . . 123 GLY C . 27923 1
168 . 1 1 40 40 GLY CA C 13 45.422 0.3 . 1 . . . . . 123 GLY CA . 27923 1
169 . 1 1 40 40 GLY N N 15 108.536 0.3 . 1 . . . . . 123 GLY N . 27923 1
170 . 1 1 41 41 THR H H 1 7.980 0.020 . 1 . . . . . 124 THR H . 27923 1
171 . 1 1 41 41 THR C C 13 173.985 0.3 . 1 . . . . . 124 THR C . 27923 1
172 . 1 1 41 41 THR CA C 13 61.876 0.3 . 1 . . . . . 124 THR CA . 27923 1
173 . 1 1 41 41 THR CB C 13 70.054 0.3 . 1 . . . . . 124 THR CB . 27923 1
174 . 1 1 41 41 THR N N 15 113.684 0.3 . 1 . . . . . 124 THR N . 27923 1
175 . 1 1 42 42 LYS H H 1 8.286 0.020 . 1 . . . . . 125 LYS H . 27923 1
176 . 1 1 42 42 LYS C C 13 175.510 0.3 . 1 . . . . . 125 LYS C . 27923 1
177 . 1 1 42 42 LYS CA C 13 56.265 0.3 . 1 . . . . . 125 LYS CA . 27923 1
178 . 1 1 42 42 LYS CB C 13 32.873 0.3 . 1 . . . . . 125 LYS CB . 27923 1
179 . 1 1 42 42 LYS N N 15 123.829 0.3 . 1 . . . . . 125 LYS N . 27923 1
180 . 1 1 43 43 ASP H H 1 8.248 0.020 . 1 . . . . . 126 ASP H . 27923 1
181 . 1 1 43 43 ASP C C 13 175.619 0.3 . 1 . . . . . 126 ASP C . 27923 1
182 . 1 1 43 43 ASP CA C 13 54.173 0.3 . 1 . . . . . 126 ASP CA . 27923 1
183 . 1 1 43 43 ASP CB C 13 41.051 0.3 . 1 . . . . . 126 ASP CB . 27923 1
184 . 1 1 43 43 ASP N N 15 122.100 0.3 . 1 . . . . . 126 ASP N . 27923 1
185 . 1 1 44 44 SER H H 1 8.153 0.020 . 1 . . . . . 127 SER H . 27923 1
186 . 1 1 44 44 SER C C 13 173.898 0.3 . 1 . . . . . 127 SER C . 27923 1
187 . 1 1 44 44 SER CA C 13 58.548 0.3 . 1 . . . . . 127 SER CA . 27923 1
188 . 1 1 44 44 SER CB C 13 63.968 0.3 . 1 . . . . . 127 SER CB . 27923 1
189 . 1 1 44 44 SER N N 15 116.744 0.3 . 1 . . . . . 127 SER N . 27923 1
190 . 1 1 45 45 SER H H 1 8.323 0.020 . 1 . . . . . 128 SER H . 27923 1
191 . 1 1 45 45 SER C C 13 174.017 0.3 . 1 . . . . . 128 SER C . 27923 1
192 . 1 1 45 45 SER CA C 13 58.612 0.3 . 1 . . . . . 128 SER CA . 27923 1
193 . 1 1 45 45 SER CB C 13 63.966 0.3 . 1 . . . . . 128 SER CB . 27923 1
194 . 1 1 45 45 SER N N 15 117.993 0.3 . 1 . . . . . 128 SER N . 27923 1
195 . 1 1 46 46 ILE H H 1 7.859 0.020 . 1 . . . . . 129 ILE H . 27923 1
196 . 1 1 46 46 ILE C C 13 175.161 0.3 . 1 . . . . . 129 ILE C . 27923 1
197 . 1 1 46 46 ILE CA C 13 61.348 0.3 . 1 . . . . . 129 ILE CA . 27923 1
198 . 1 1 46 46 ILE CB C 13 38.906 0.3 . 1 . . . . . 129 ILE CB . 27923 1
199 . 1 1 46 46 ILE N N 15 121.529 0.3 . 1 . . . . . 129 ILE N . 27923 1
200 . 1 1 47 47 ASP H H 1 8.079 0.020 . 1 . . . . . 130 ASP H . 27923 1
201 . 1 1 47 47 ASP C C 13 175.128 0.3 . 1 . . . . . 130 ASP C . 27923 1
202 . 1 1 47 47 ASP CA C 13 54.649 0.3 . 1 . . . . . 130 ASP CA . 27923 1
203 . 1 1 47 47 ASP CB C 13 41.336 0.3 . 1 . . . . . 130 ASP CB . 27923 1
204 . 1 1 47 47 ASP N N 15 123.399 0.3 . 1 . . . . . 130 ASP N . 27923 1
205 . 1 1 48 48 ASP H H 1 8.021 0.020 . 1 . . . . . 131 ASP H . 27923 1
206 . 1 1 48 48 ASP C C 13 175.486 0.3 . 1 . . . . . 131 ASP C . 27923 1
207 . 1 1 48 48 ASP CA C 13 54.276 0.3 . 1 . . . . . 131 ASP CA . 27923 1
208 . 1 1 48 48 ASP CB C 13 40.930 0.3 . 1 . . . . . 131 ASP CB . 27923 1
209 . 1 1 48 48 ASP N N 15 120.670 0.3 . 1 . . . . . 131 ASP N . 27923 1
210 . 1 1 49 49 ILE H H 1 7.861 0.020 . 1 . . . . . 132 ILE H . 27923 1
211 . 1 1 49 49 ILE C C 13 175.323 0.3 . 1 . . . . . 132 ILE C . 27923 1
212 . 1 1 49 49 ILE CA C 13 61.348 0.3 . 1 . . . . . 132 ILE CA . 27923 1
213 . 1 1 49 49 ILE CB C 13 38.906 0.3 . 1 . . . . . 132 ILE CB . 27923 1
214 . 1 1 49 49 ILE N N 15 120.466 0.3 . 1 . . . . . 132 ILE N . 27923 1
215 . 1 1 50 50 ASP H H 1 8.184 0.020 . 1 . . . . . 133 ASP H . 27923 1
216 . 1 1 50 50 ASP C C 13 175.549 0.3 . 1 . . . . . 133 ASP C . 27923 1
217 . 1 1 50 50 ASP CA C 13 54.649 0.3 . 1 . . . . . 133 ASP CA . 27923 1
218 . 1 1 50 50 ASP CB C 13 41.051 0.3 . 1 . . . . . 133 ASP CB . 27923 1
219 . 1 1 50 50 ASP N N 15 124.095 0.3 . 1 . . . . . 133 ASP N . 27923 1
220 . 1 1 51 51 GLU H H 1 8.112 0.020 . 1 . . . . . 134 GLU H . 27923 1
221 . 1 1 51 51 GLU C C 13 175.439 0.3 . 1 . . . . . 134 GLU C . 27923 1
222 . 1 1 51 51 GLU CA C 13 56.646 0.3 . 1 . . . . . 134 GLU CA . 27923 1
223 . 1 1 51 51 GLU CB C 13 30.115 0.3 . 1 . . . . . 134 GLU CB . 27923 1
224 . 1 1 51 51 GLU N N 15 121.375 0.3 . 1 . . . . . 134 GLU N . 27923 1
225 . 1 1 52 52 LEU H H 1 8.075 0.020 . 1 . . . . . 135 LEU H . 27923 1
226 . 1 1 52 52 LEU C C 13 176.589 0.3 . 1 . . . . . 135 LEU C . 27923 1
227 . 1 1 52 52 LEU CA C 13 55.204 0.3 . 1 . . . . . 135 LEU CA . 27923 1
228 . 1 1 52 52 LEU CB C 13 42.001 0.3 . 1 . . . . . 135 LEU CB . 27923 1
229 . 1 1 52 52 LEU N N 15 122.943 0.3 . 1 . . . . . 135 LEU N . 27923 1
230 . 1 1 53 53 ILE H H 1 7.939 0.020 . 1 . . . . . 136 ILE H . 27923 1
231 . 1 1 53 53 ILE C C 13 175.583 0.3 . 1 . . . . . 136 ILE C . 27923 1
232 . 1 1 53 53 ILE CA C 13 60.916 0.3 . 1 . . . . . 136 ILE CA . 27923 1
233 . 1 1 53 53 ILE CB C 13 38.215 0.3 . 1 . . . . . 136 ILE CB . 27923 1
234 . 1 1 53 53 ILE N N 15 122.526 0.3 . 1 . . . . . 136 ILE N . 27923 1
235 . 1 1 54 54 GLN H H 1 8.243 0.020 . 1 . . . . . 137 GLN H . 27923 1
236 . 1 1 54 54 GLN C C 13 175.326 0.3 . 1 . . . . . 137 GLN C . 27923 1
237 . 1 1 54 54 GLN CA C 13 55.505 0.3 . 1 . . . . . 137 GLN CA . 27923 1
238 . 1 1 54 54 GLN CB C 13 29.544 0.3 . 1 . . . . . 137 GLN CB . 27923 1
239 . 1 1 54 54 GLN N N 15 124.623 0.3 . 1 . . . . . 137 GLN N . 27923 1
240 . 1 1 55 55 ASP H H 1 8.216 0.020 . 1 . . . . . 138 ASP H . 27923 1
241 . 1 1 55 55 ASP C C 13 175.484 0.3 . 1 . . . . . 138 ASP C . 27923 1
242 . 1 1 55 55 ASP CA C 13 54.173 0.3 . 1 . . . . . 138 ASP CA . 27923 1
243 . 1 1 55 55 ASP CB C 13 41.051 0.3 . 1 . . . . . 138 ASP CB . 27923 1
244 . 1 1 55 55 ASP N N 15 121.840 0.3 . 1 . . . . . 138 ASP N . 27923 1
245 . 1 1 56 56 MET H H 1 8.123 0.020 . 1 . . . . . 139 MET H . 27923 1
246 . 1 1 56 56 MET C C 13 175.333 0.3 . 1 . . . . . 139 MET C . 27923 1
247 . 1 1 56 56 MET CA C 13 55.219 0.3 . 1 . . . . . 139 MET CA . 27923 1
248 . 1 1 56 56 MET CB C 13 32.968 0.3 . 1 . . . . . 139 MET CB . 27923 1
249 . 1 1 56 56 MET N N 15 120.751 0.3 . 1 . . . . . 139 MET N . 27923 1
250 . 1 1 57 57 GLU H H 1 8.232 0.020 . 1 . . . . . 140 GLU H . 27923 1
251 . 1 1 57 57 GLU C C 13 175.424 0.3 . 1 . . . . . 140 GLU C . 27923 1
252 . 1 1 57 57 GLU CA C 13 56.361 0.3 . 1 . . . . . 140 GLU CA . 27923 1
253 . 1 1 57 57 GLU CB C 13 30.115 0.3 . 1 . . . . . 140 GLU CB . 27923 1
254 . 1 1 57 57 GLU N N 15 122.361 0.3 . 1 . . . . . 140 GLU N . 27923 1
255 . 1 1 58 58 ILE H H 1 8.089 0.020 . 1 . . . . . 141 ILE H . 27923 1
256 . 1 1 58 58 ILE C C 13 175.167 0.3 . 1 . . . . . 141 ILE C . 27923 1
257 . 1 1 58 58 ILE CA C 13 60.830 0.3 . 1 . . . . . 141 ILE CA . 27923 1
258 . 1 1 58 58 ILE CB C 13 38.388 0.3 . 1 . . . . . 141 ILE CB . 27923 1
259 . 1 1 58 58 ILE N N 15 123.422 0.3 . 1 . . . . . 141 ILE N . 27923 1
260 . 1 1 59 59 LYS H H 1 8.300 0.020 . 1 . . . . . 142 LYS H . 27923 1
261 . 1 1 59 59 LYS C C 13 175.606 0.3 . 1 . . . . . 142 LYS C . 27923 1
262 . 1 1 59 59 LYS CA C 13 55.885 0.3 . 1 . . . . . 142 LYS CA . 27923 1
263 . 1 1 59 59 LYS CB C 13 33.443 0.3 . 1 . . . . . 142 LYS CB . 27923 1
264 . 1 1 59 59 LYS N N 15 126.967 0.3 . 1 . . . . . 142 LYS N . 27923 1
265 . 1 1 60 60 GLU H H 1 8.419 0.020 . 1 . . . . . 143 GLU H . 27923 1
266 . 1 1 60 60 GLU C C 13 175.817 0.3 . 1 . . . . . 143 GLU C . 27923 1
267 . 1 1 60 60 GLU CA C 13 56.361 0.3 . 1 . . . . . 143 GLU CA . 27923 1
268 . 1 1 60 60 GLU CB C 13 30.115 0.3 . 1 . . . . . 143 GLU CB . 27923 1
269 . 1 1 60 60 GLU N N 15 123.560 0.3 . 1 . . . . . 143 GLU N . 27923 1
270 . 1 1 61 61 GLU H H 1 8.370 0.020 . 1 . . . . . 144 GLU H . 27923 1
271 . 1 1 61 61 GLU C C 13 175.401 0.3 . 1 . . . . . 144 GLU C . 27923 1
272 . 1 1 61 61 GLU CA C 13 56.361 0.3 . 1 . . . . . 144 GLU CA . 27923 1
273 . 1 1 61 61 GLU CB C 13 30.590 0.3 . 1 . . . . . 144 GLU CB . 27923 1
274 . 1 1 61 61 GLU N N 15 121.818 0.3 . 1 . . . . . 144 GLU N . 27923 1
275 . 1 1 62 62 ASP H H 1 8.258 0.020 . 1 . . . . . 145 ASP H . 27923 1
276 . 1 1 62 62 ASP C C 13 175.500 0.3 . 1 . . . . . 145 ASP C . 27923 1
277 . 1 1 62 62 ASP CA C 13 54.165 0.3 . 1 . . . . . 145 ASP CA . 27923 1
278 . 1 1 62 62 ASP CB C 13 41.257 0.3 . 1 . . . . . 145 ASP CB . 27923 1
279 . 1 1 62 62 ASP N N 15 121.700 0.3 . 1 . . . . . 145 ASP N . 27923 1
280 . 1 1 63 63 GLU H H 1 8.251 0.020 . 1 . . . . . 146 GLU H . 27923 1
281 . 1 1 63 63 GLU C C 13 175.439 0.3 . 1 . . . . . 146 GLU C . 27923 1
282 . 1 1 63 63 GLU CA C 13 56.372 0.3 . 1 . . . . . 146 GLU CA . 27923 1
283 . 1 1 63 63 GLU CB C 13 30.115 0.3 . 1 . . . . . 146 GLU CB . 27923 1
284 . 1 1 63 63 GLU N N 15 121.580 0.3 . 1 . . . . . 146 GLU N . 27923 1
285 . 1 1 64 64 ASN H H 1 8.328 0.020 . 1 . . . . . 147 ASN H . 27923 1
286 . 1 1 64 64 ASN C C 13 174.115 0.3 . 1 . . . . . 147 ASN C . 27923 1
287 . 1 1 64 64 ASN CA C 13 53.122 0.3 . 1 . . . . . 147 ASN CA . 27923 1
288 . 1 1 64 64 ASN CB C 13 39.402 0.3 . 1 . . . . . 147 ASN CB . 27923 1
289 . 1 1 64 64 ASN N N 15 119.873 0.3 . 1 . . . . . 147 ASN N . 27923 1
290 . 1 1 65 65 ASP H H 1 8.186 0.020 . 1 . . . . . 148 ASP H . 27923 1
291 . 1 1 65 65 ASP C C 13 176.022 0.3 . 1 . . . . . 148 ASP C . 27923 1
292 . 1 1 65 65 ASP CA C 13 54.165 0.3 . 1 . . . . . 148 ASP CA . 27923 1
293 . 1 1 65 65 ASP CB C 13 41.034 0.3 . 1 . . . . . 148 ASP CB . 27923 1
294 . 1 1 65 65 ASP N N 15 121.435 0.3 . 1 . . . . . 148 ASP N . 27923 1
295 . 1 1 66 66 ASP H H 1 8.223 0.020 . 1 . . . . . 149 ASP H . 27923 1
296 . 1 1 66 66 ASP C C 13 176.059 0.3 . 1 . . . . . 149 ASP C . 27923 1
297 . 1 1 66 66 ASP CA C 13 54.173 0.3 . 1 . . . . . 149 ASP CA . 27923 1
298 . 1 1 66 66 ASP CB C 13 41.051 0.3 . 1 . . . . . 149 ASP CB . 27923 1
299 . 1 1 66 66 ASP N N 15 121.500 0.3 . 1 . . . . . 149 ASP N . 27923 1
300 . 1 1 67 67 THR H H 1 8.002 0.020 . 1 . . . . . 150 THR H . 27923 1
301 . 1 1 67 67 THR C C 13 174.365 0.3 . 1 . . . . . 150 THR C . 27923 1
302 . 1 1 67 67 THR CA C 13 62.447 0.3 . 1 . . . . . 150 THR CA . 27923 1
303 . 1 1 67 67 THR CB C 13 69.674 0.3 . 1 . . . . . 150 THR CB . 27923 1
304 . 1 1 67 67 THR N N 15 114.163 0.3 . 1 . . . . . 150 THR N . 27923 1
305 . 1 1 68 68 GLU H H 1 8.217 0.020 . 1 . . . . . 151 GLU H . 27923 1
306 . 1 1 68 68 GLU C C 13 176.090 0.3 . 1 . . . . . 151 GLU C . 27923 1
307 . 1 1 68 68 GLU CA C 13 56.931 0.3 . 1 . . . . . 151 GLU CA . 27923 1
308 . 1 1 68 68 GLU CB C 13 30.115 0.3 . 1 . . . . . 151 GLU CB . 27923 1
309 . 1 1 68 68 GLU N N 15 122.840 0.3 . 1 . . . . . 151 GLU N . 27923 1
310 . 1 1 69 69 GLU H H 1 8.177 0.020 . 1 . . . . . 152 GLU H . 27923 1
311 . 1 1 69 69 GLU C C 13 175.916 0.3 . 1 . . . . . 152 GLU C . 27923 1
312 . 1 1 69 69 GLU CA C 13 56.931 0.3 . 1 . . . . . 152 GLU CA . 27923 1
313 . 1 1 69 69 GLU CB C 13 30.115 0.3 . 1 . . . . . 152 GLU CB . 27923 1
314 . 1 1 69 69 GLU N N 15 121.522 0.3 . 1 . . . . . 152 GLU N . 27923 1
315 . 1 1 70 70 PHE H H 1 8.078 0.020 . 1 . . . . . 153 PHE H . 27923 1
316 . 1 1 70 70 PHE C C 13 175.197 0.3 . 1 . . . . . 153 PHE C . 27923 1
317 . 1 1 70 70 PHE CA C 13 58.548 0.3 . 1 . . . . . 153 PHE CA . 27923 1
318 . 1 1 70 70 PHE CB C 13 39.434 0.3 . 1 . . . . . 153 PHE CB . 27923 1
319 . 1 1 70 70 PHE N N 15 120.750 0.3 . 1 . . . . . 153 PHE N . 27923 1
320 . 1 1 71 71 ASN H H 1 8.099 0.020 . 1 . . . . . 154 ASN H . 27923 1
321 . 1 1 71 71 ASN C C 13 174.357 0.3 . 1 . . . . . 154 ASN C . 27923 1
322 . 1 1 71 71 ASN CA C 13 53.127 0.3 . 1 . . . . . 154 ASN CA . 27923 1
323 . 1 1 71 71 ASN CB C 13 38.863 0.3 . 1 . . . . . 154 ASN CB . 27923 1
324 . 1 1 71 71 ASN N N 15 120.350 0.3 . 1 . . . . . 154 ASN N . 27923 1
325 . 1 1 72 72 ALA H H 1 8.006 0.020 . 1 . . . . . 155 ALA H . 27923 1
326 . 1 1 72 72 ALA C C 13 177.406 0.3 . 1 . . . . . 155 ALA C . 27923 1
327 . 1 1 72 72 ALA CA C 13 53.120 0.3 . 1 . . . . . 155 ALA CA . 27923 1
328 . 1 1 72 72 ALA CB C 13 19.127 0.3 . 1 . . . . . 155 ALA CB . 27923 1
329 . 1 1 72 72 ALA N N 15 124.401 0.3 . 1 . . . . . 155 ALA N . 27923 1
330 . 1 1 73 73 LYS H H 1 8.039 0.020 . 1 . . . . . 156 LYS H . 27923 1
331 . 1 1 73 73 LYS C C 13 176.634 0.3 . 1 . . . . . 156 LYS C . 27923 1
332 . 1 1 73 73 LYS CA C 13 56.404 0.3 . 1 . . . . . 156 LYS CA . 27923 1
333 . 1 1 73 73 LYS CB C 13 32.820 0.3 . 1 . . . . . 156 LYS CB . 27923 1
334 . 1 1 73 73 LYS N N 15 119.461 0.3 . 1 . . . . . 156 LYS N . 27923 1
335 . 1 1 74 74 GLY H H 1 8.083 0.020 . 1 . . . . . 157 GLY H . 27923 1
336 . 1 1 74 74 GLY C C 13 173.843 0.3 . 1 . . . . . 157 GLY C . 27923 1
337 . 1 1 74 74 GLY CA C 13 45.440 0.3 . 1 . . . . . 157 GLY CA . 27923 1
338 . 1 1 74 74 GLY N N 15 109.126 0.3 . 1 . . . . . 157 GLY N . 27923 1
339 . 1 1 75 75 GLY H H 1 8.034 0.020 . 1 . . . . . 158 GLY H . 27923 1
340 . 1 1 75 75 GLY C C 13 172.563 0.3 . 1 . . . . . 158 GLY C . 27923 1
341 . 1 1 75 75 GLY CA C 13 45.485 0.3 . 1 . . . . . 158 GLY CA . 27923 1
342 . 1 1 75 75 GLY N N 15 108.840 0.3 . 1 . . . . . 158 GLY N . 27923 1
343 . 1 1 76 76 LEU H H 1 7.593 0.020 . 1 . . . . . 159 LEU H . 27923 1
344 . 1 1 76 76 LEU C C 13 181.922 0.3 . 1 . . . . . 159 LEU C . 27923 1
345 . 1 1 76 76 LEU CA C 13 56.404 0.3 . 1 . . . . . 159 LEU CA . 27923 1
346 . 1 1 76 76 LEU CB C 13 43.281 0.3 . 1 . . . . . 159 LEU CB . 27923 1
347 . 1 1 76 76 LEU N N 15 126.922 0.3 . 1 . . . . . 159 LEU N . 27923 1
stop_
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