###################################
# 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 52448
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'C2 variant3'
_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
2 '2D 1H-15N HSQC' . . . 52448 1
3 '3D HNCA' . . . 52448 1
4 '3D HN(CO)CA' . . . 52448 1
5 '3D HNCACB' . . . 52448 1
6 '3D HN(CO)CACB' . . . 52448 1
7 '3D HNCO' . . . 52448 1
8 '3D HN(CA)CO' . . . 52448 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 . . 52448 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 THR C C 13 173.02 0.1 . . . . . . . 2 THR C . 52448 1
2 . 1 . 1 2 2 THR CB C 13 69.61 0.1 . . . . . . . 2 THR CB . 52448 1
3 . 1 . 1 3 3 THR H H 1 7.89 0.001 . . . . . . . 3 THR HN . 52448 1
4 . 1 . 1 3 3 THR HA H 1 4.56 0.001 . . . . . . . 3 THR HA . 52448 1
5 . 1 . 1 3 3 THR C C 13 173.65 0.1 . . . . . . . 3 THR C . 52448 1
6 . 1 . 1 3 3 THR CA C 13 62.45 0.1 . . . . . . . 3 THR CA . 52448 1
7 . 1 . 1 3 3 THR CB C 13 69.92 0.1 . . . . . . . 3 THR CB . 52448 1
8 . 1 . 1 3 3 THR N N 15 120.08 0.1 . . . . . . . 3 THR N . 52448 1
9 . 1 . 1 4 4 TYR H H 1 8.84 0.001 . . . . . . . 4 TYR HN . 52448 1
10 . 1 . 1 4 4 TYR HA H 1 5.21 0.001 . . . . . . . 4 TYR HA . 52448 1
11 . 1 . 1 4 4 TYR C C 13 174.22 0.1 . . . . . . . 4 TYR C . 52448 1
12 . 1 . 1 4 4 TYR CA C 13 57.28 0.1 . . . . . . . 4 TYR CA . 52448 1
13 . 1 . 1 4 4 TYR CB C 13 42.64 0.1 . . . . . . . 4 TYR CB . 52448 1
14 . 1 . 1 4 4 TYR N N 15 124.02 0.1 . . . . . . . 4 TYR N . 52448 1
15 . 1 . 1 5 5 LYS H H 1 9.04 0.001 . . . . . . . 5 LYS HN . 52448 1
16 . 1 . 1 5 5 LYS HA H 1 5.12 0.001 . . . . . . . 5 LYS HA . 52448 1
17 . 1 . 1 5 5 LYS C C 13 172.75 0.1 . . . . . . . 5 LYS C . 52448 1
18 . 1 . 1 5 5 LYS CA C 13 55.13 0.1 . . . . . . . 5 LYS CA . 52448 1
19 . 1 . 1 5 5 LYS CB C 13 35.93 0.1 . . . . . . . 5 LYS CB . 52448 1
20 . 1 . 1 5 5 LYS N N 15 122.80 0.1 . . . . . . . 5 LYS N . 52448 1
21 . 1 . 1 6 6 LEU H H 1 8.62 0.001 . . . . . . . 6 LEU HN . 52448 1
22 . 1 . 1 6 6 LEU HA H 1 4.80 0.001 . . . . . . . 6 LEU HA . 52448 1
23 . 1 . 1 6 6 LEU C C 13 174.32 0.1 . . . . . . . 6 LEU C . 52448 1
24 . 1 . 1 6 6 LEU CA C 13 52.68 0.1 . . . . . . . 6 LEU CA . 52448 1
25 . 1 . 1 6 6 LEU CB C 13 42.35 0.1 . . . . . . . 6 LEU CB . 52448 1
26 . 1 . 1 6 6 LEU N N 15 127.20 0.1 . . . . . . . 6 LEU N . 52448 1
27 . 1 . 1 7 7 VAL H H 1 9.07 0.001 . . . . . . . 7 VAL HN . 52448 1
28 . 1 . 1 7 7 VAL HA H 1 4.07 0.001 . . . . . . . 7 VAL HA . 52448 1
29 . 1 . 1 7 7 VAL C C 13 174.27 0.1 . . . . . . . 7 VAL C . 52448 1
30 . 1 . 1 7 7 VAL CA C 13 62.11 0.1 . . . . . . . 7 VAL CA . 52448 1
31 . 1 . 1 7 7 VAL CB C 13 32.68 0.1 . . . . . . . 7 VAL CB . 52448 1
32 . 1 . 1 7 7 VAL N N 15 127.35 0.1 . . . . . . . 7 VAL N . 52448 1
33 . 1 . 1 8 8 ILE H H 1 8.67 0.001 . . . . . . . 8 ILE HN . 52448 1
34 . 1 . 1 8 8 ILE HA H 1 3.96 0.001 . . . . . . . 8 ILE HA . 52448 1
35 . 1 . 1 8 8 ILE C C 13 174.90 0.1 . . . . . . . 8 ILE C . 52448 1
36 . 1 . 1 8 8 ILE CA C 13 60.54 0.1 . . . . . . . 8 ILE CA . 52448 1
37 . 1 . 1 8 8 ILE CB C 13 39.09 0.1 . . . . . . . 8 ILE CB . 52448 1
38 . 1 . 1 8 8 ILE N N 15 125.52 0.1 . . . . . . . 8 ILE N . 52448 1
39 . 1 . 1 9 9 ASN H H 1 8.88 0.001 . . . . . . . 9 ASN HN . 52448 1
40 . 1 . 1 9 9 ASN HA H 1 5.13 0.001 . . . . . . . 9 ASN HA . 52448 1
41 . 1 . 1 9 9 ASN C C 13 175.35 0.1 . . . . . . . 9 ASN C . 52448 1
42 . 1 . 1 9 9 ASN CA C 13 50.71 0.1 . . . . . . . 9 ASN CA . 52448 1
43 . 1 . 1 9 9 ASN CB C 13 37.68 0.1 . . . . . . . 9 ASN CB . 52448 1
44 . 1 . 1 9 9 ASN N N 15 129.11 0.1 . . . . . . . 9 ASN N . 52448 1
45 . 1 . 1 10 10 GLY H H 1 7.79 0.001 . . . . . . . 10 GLY HN . 52448 1
46 . 1 . 1 10 10 GLY HA2 H 1 4.31 0.001 . . . . . . . 10 GLY HA2 . 52448 1
47 . 1 . 1 10 10 GLY HA3 H 1 3.92 0.001 . . . . . . . 10 GLY HA3 . 52448 1
48 . 1 . 1 10 10 GLY C C 13 173.54 0.1 . . . . . . . 10 GLY C . 52448 1
49 . 1 . 1 10 10 GLY CA C 13 44.23 0.1 . . . . . . . 10 GLY CA . 52448 1
50 . 1 . 1 10 10 GLY N N 15 110.45 0.1 . . . . . . . 10 GLY N . 52448 1
51 . 1 . 1 11 11 LYS H H 1 9.35 0.001 . . . . . . . 11 LYS HN . 52448 1
52 . 1 . 1 11 11 LYS HA H 1 3.94 0.001 . . . . . . . 11 LYS HA . 52448 1
53 . 1 . 1 11 11 LYS C C 13 178.84 0.1 . . . . . . . 11 LYS C . 52448 1
54 . 1 . 1 11 11 LYS CA C 13 58.80 0.1 . . . . . . . 11 LYS CA . 52448 1
55 . 1 . 1 11 11 LYS CB C 13 32.45 0.1 . . . . . . . 11 LYS CB . 52448 1
56 . 1 . 1 11 11 LYS N N 15 120.65 0.1 . . . . . . . 11 LYS N . 52448 1
57 . 1 . 1 12 12 THR H H 1 8.65 0.001 . . . . . . . 12 THR HN . 52448 1
58 . 1 . 1 12 12 THR HA H 1 4.22 0.001 . . . . . . . 12 THR HA . 52448 1
59 . 1 . 1 12 12 THR C C 13 173.64 0.1 . . . . . . . 12 THR C . 52448 1
60 . 1 . 1 12 12 THR CA C 13 62.08 0.1 . . . . . . . 12 THR CA . 52448 1
61 . 1 . 1 12 12 THR CB C 13 69.63 0.1 . . . . . . . 12 THR CB . 52448 1
62 . 1 . 1 12 12 THR N N 15 109.03 0.1 . . . . . . . 12 THR N . 52448 1
63 . 1 . 1 13 13 LEU H H 1 7.48 0.001 . . . . . . . 13 LEU HN . 52448 1
64 . 1 . 1 13 13 LEU HA H 1 4.29 0.001 . . . . . . . 13 LEU HA . 52448 1
65 . 1 . 1 13 13 LEU C C 13 173.38 0.1 . . . . . . . 13 LEU C . 52448 1
66 . 1 . 1 13 13 LEU CA C 13 54.97 0.1 . . . . . . . 13 LEU CA . 52448 1
67 . 1 . 1 13 13 LEU CB C 13 43.13 0.1 . . . . . . . 13 LEU CB . 52448 1
68 . 1 . 1 13 13 LEU N N 15 125.84 0.1 . . . . . . . 13 LEU N . 52448 1
69 . 1 . 1 14 14 LYS H H 1 8.01 0.001 . . . . . . . 14 LYS HN . 52448 1
70 . 1 . 1 14 14 LYS HA H 1 4.98 0.001 . . . . . . . 14 LYS HA . 52448 1
71 . 1 . 1 14 14 LYS C C 13 176.28 0.1 . . . . . . . 14 LYS C . 52448 1
72 . 1 . 1 14 14 LYS CA C 13 53.85 0.1 . . . . . . . 14 LYS CA . 52448 1
73 . 1 . 1 14 14 LYS CB C 13 34.75 0.1 . . . . . . . 14 LYS CB . 52448 1
74 . 1 . 1 14 14 LYS N N 15 123.56 0.1 . . . . . . . 14 LYS N . 52448 1
75 . 1 . 1 15 15 GLY H H 1 8.19 0.001 . . . . . . . 15 GLY HN . 52448 1
76 . 1 . 1 15 15 GLY HA2 H 1 4.05 0.001 . . . . . . . 15 GLY HA2 . 52448 1
77 . 1 . 1 15 15 GLY HA3 H 1 4.05 0.001 . . . . . . . 15 GLY HA3 . 52448 1
78 . 1 . 1 15 15 GLY C C 13 171.03 0.1 . . . . . . . 15 GLY C . 52448 1
79 . 1 . 1 15 15 GLY CA C 13 44.90 0.1 . . . . . . . 15 GLY CA . 52448 1
80 . 1 . 1 15 15 GLY N N 15 109.42 0.1 . . . . . . . 15 GLY N . 52448 1
81 . 1 . 1 16 16 GLU H H 1 8.28 0.001 . . . . . . . 16 GLU HN . 52448 1
82 . 1 . 1 16 16 GLU HA H 1 5.48 0.001 . . . . . . . 16 GLU HA . 52448 1
83 . 1 . 1 16 16 GLU C C 13 175.21 0.1 . . . . . . . 16 GLU C . 52448 1
84 . 1 . 1 16 16 GLU CA C 13 54.53 0.1 . . . . . . . 16 GLU CA . 52448 1
85 . 1 . 1 16 16 GLU CB C 13 33.80 0.1 . . . . . . . 16 GLU CB . 52448 1
86 . 1 . 1 16 16 GLU N N 15 118.10 0.1 . . . . . . . 16 GLU N . 52448 1
87 . 1 . 1 17 17 THR H H 1 8.69 0.001 . . . . . . . 17 THR HN . 52448 1
88 . 1 . 1 17 17 THR HA H 1 4.59 0.001 . . . . . . . 17 THR HA . 52448 1
89 . 1 . 1 17 17 THR C C 13 171.89 0.1 . . . . . . . 17 THR C . 52448 1
90 . 1 . 1 17 17 THR CA C 13 60.59 0.1 . . . . . . . 17 THR CA . 52448 1
91 . 1 . 1 17 17 THR CB C 13 69.54 0.1 . . . . . . . 17 THR CB . 52448 1
92 . 1 . 1 17 17 THR N N 15 116.06 0.1 . . . . . . . 17 THR N . 52448 1
93 . 1 . 1 18 18 THR H H 1 7.91 0.001 . . . . . . . 18 THR HN . 52448 1
94 . 1 . 1 18 18 THR HA H 1 5.69 0.001 . . . . . . . 18 THR HA . 52448 1
95 . 1 . 1 18 18 THR C C 13 174.03 0.1 . . . . . . . 18 THR C . 52448 1
96 . 1 . 1 18 18 THR CA C 13 59.60 0.1 . . . . . . . 18 THR CA . 52448 1
97 . 1 . 1 18 18 THR CB C 13 72.72 0.1 . . . . . . . 18 THR CB . 52448 1
98 . 1 . 1 18 18 THR N N 15 112.25 0.1 . . . . . . . 18 THR N . 52448 1
99 . 1 . 1 19 19 THR H H 1 8.93 0.001 . . . . . . . 19 THR HN . 52448 1
100 . 1 . 1 19 19 THR HA H 1 4.48 0.001 . . . . . . . 19 THR HA . 52448 1
101 . 1 . 1 19 19 THR C C 13 171.34 0.1 . . . . . . . 19 THR C . 52448 1
102 . 1 . 1 19 19 THR CA C 13 62.78 0.1 . . . . . . . 19 THR CA . 52448 1
103 . 1 . 1 19 19 THR CB C 13 69.85 0.1 . . . . . . . 19 THR CB . 52448 1
104 . 1 . 1 19 19 THR N N 15 114.39 0.1 . . . . . . . 19 THR N . 52448 1
105 . 1 . 1 20 20 GLU H H 1 7.74 0.001 . . . . . . . 20 GLU HN . 52448 1
106 . 1 . 1 20 20 GLU HA H 1 5.22 0.001 . . . . . . . 20 GLU HA . 52448 1
107 . 1 . 1 20 20 GLU CA C 13 52.85 0.1 . . . . . . . 20 GLU CA . 52448 1
108 . 1 . 1 20 20 GLU N N 15 127.96 0.1 . . . . . . . 20 GLU N . 52448 1
109 . 1 . 1 22 22 PRO C C 13 174.71 0.1 . . . . . . . 22 PRO C . 52448 1
110 . 1 . 1 22 22 PRO CA C 13 61.42 0.1 . . . . . . . 22 PRO CA . 52448 1
111 . 1 . 1 22 22 PRO CB C 13 31.80 0.1 . . . . . . . 22 PRO CB . 52448 1
112 . 1 . 1 23 23 ASP H H 1 8.24 0.001 . . . . . . . 23 ASP HN . 52448 1
113 . 1 . 1 23 23 ASP HA H 1 4.47 0.001 . . . . . . . 23 ASP HA . 52448 1
114 . 1 . 1 23 23 ASP C C 13 177.96 0.1 . . . . . . . 23 ASP C . 52448 1
115 . 1 . 1 23 23 ASP CA C 13 52.73 0.1 . . . . . . . 23 ASP CA . 52448 1
116 . 1 . 1 23 23 ASP CB C 13 38.25 0.1 . . . . . . . 23 ASP CB . 52448 1
117 . 1 . 1 23 23 ASP N N 15 114.70 0.1 . . . . . . . 23 ASP N . 52448 1
118 . 1 . 1 24 24 THR H H 1 8.23 0.001 . . . . . . . 24 THR HN . 52448 1
119 . 1 . 1 24 24 THR HA H 1 3.86 0.001 . . . . . . . 24 THR HA . 52448 1
120 . 1 . 1 24 24 THR C C 13 175.52 0.1 . . . . . . . 24 THR C . 52448 1
121 . 1 . 1 24 24 THR CA C 13 64.14 0.1 . . . . . . . 24 THR CA . 52448 1
122 . 1 . 1 24 24 THR CB C 13 69.59 0.1 . . . . . . . 24 THR CB . 52448 1
123 . 1 . 1 24 24 THR N N 15 120.34 0.1 . . . . . . . 24 THR N . 52448 1
124 . 1 . 1 25 25 ASN H H 1 7.75 0.001 . . . . . . . 25 ASN HN . 52448 1
125 . 1 . 1 25 25 ASN HA H 1 4.55 0.001 . . . . . . . 25 ASN HA . 52448 1
126 . 1 . 1 25 25 ASN C C 13 174.35 0.1 . . . . . . . 25 ASN C . 52448 1
127 . 1 . 1 25 25 ASN CA C 13 51.22 0.1 . . . . . . . 25 ASN CA . 52448 1
128 . 1 . 1 25 25 ASN CB C 13 36.77 0.1 . . . . . . . 25 ASN CB . 52448 1
129 . 1 . 1 25 25 ASN N N 15 116.66 0.1 . . . . . . . 25 ASN N . 52448 1
130 . 1 . 1 26 26 ARG H H 1 7.50 0.001 . . . . . . . 26 ARG HN . 52448 1
131 . 1 . 1 26 26 ARG HA H 1 3.68 0.001 . . . . . . . 26 ARG HA . 52448 1
132 . 1 . 1 26 26 ARG C C 13 175.24 0.1 . . . . . . . 26 ARG C . 52448 1
133 . 1 . 1 26 26 ARG CA C 13 57.35 0.1 . . . . . . . 26 ARG CA . 52448 1
134 . 1 . 1 26 26 ARG CB C 13 27.07 0.1 . . . . . . . 26 ARG CB . 52448 1
135 . 1 . 1 26 26 ARG N N 15 114.59 0.1 . . . . . . . 26 ARG N . 52448 1
136 . 1 . 1 27 27 ASP H H 1 8.09 0.001 . . . . . . . 27 ASP HN . 52448 1
137 . 1 . 1 27 27 ASP HA H 1 4.50 0.001 . . . . . . . 27 ASP HA . 52448 1
138 . 1 . 1 27 27 ASP C C 13 177.91 0.1 . . . . . . . 27 ASP C . 52448 1
139 . 1 . 1 27 27 ASP CA C 13 52.76 0.1 . . . . . . . 27 ASP CA . 52448 1
140 . 1 . 1 27 27 ASP CB C 13 40.33 0.1 . . . . . . . 27 ASP CB . 52448 1
141 . 1 . 1 27 27 ASP N N 15 117.49 0.1 . . . . . . . 27 ASP N . 52448 1
142 . 1 . 1 28 28 GLY H H 1 9.57 0.001 . . . . . . . 28 GLY HN . 52448 1
143 . 1 . 1 28 28 GLY HA2 H 1 4.04 0.001 . . . . . . . 28 GLY HA2 . 52448 1
144 . 1 . 1 28 28 GLY HA3 H 1 4.04 0.001 . . . . . . . 28 GLY HA3 . 52448 1
145 . 1 . 1 28 28 GLY C C 13 173.31 0.1 . . . . . . . 28 GLY C . 52448 1
146 . 1 . 1 28 28 GLY CA C 13 45.19 0.1 . . . . . . . 28 GLY CA . 52448 1
147 . 1 . 1 28 28 GLY N N 15 111.10 0.1 . . . . . . . 28 GLY N . 52448 1
148 . 1 . 1 29 29 ARG H H 1 7.71 0.001 . . . . . . . 29 ARG HN . 52448 1
149 . 1 . 1 29 29 ARG HA H 1 4.58 0.001 . . . . . . . 29 ARG HA . 52448 1
150 . 1 . 1 29 29 ARG C C 13 174.41 0.1 . . . . . . . 29 ARG C . 52448 1
151 . 1 . 1 29 29 ARG CA C 13 53.61 0.1 . . . . . . . 29 ARG CA . 52448 1
152 . 1 . 1 29 29 ARG CB C 13 33.16 0.1 . . . . . . . 29 ARG CB . 52448 1
153 . 1 . 1 29 29 ARG N N 15 117.95 0.1 . . . . . . . 29 ARG N . 52448 1
154 . 1 . 1 30 30 VAL H H 1 8.88 0.001 . . . . . . . 30 VAL HN . 52448 1
155 . 1 . 1 30 30 VAL HA H 1 4.67 0.001 . . . . . . . 30 VAL HA . 52448 1
156 . 1 . 1 30 30 VAL C C 13 175.24 0.1 . . . . . . . 30 VAL C . 52448 1
157 . 1 . 1 30 30 VAL CA C 13 61.58 0.1 . . . . . . . 30 VAL CA . 52448 1
158 . 1 . 1 30 30 VAL CB C 13 31.30 0.1 . . . . . . . 30 VAL CB . 52448 1
159 . 1 . 1 30 30 VAL N N 15 126.77 0.1 . . . . . . . 30 VAL N . 52448 1
160 . 1 . 1 31 31 ASP H H 1 9.60 0.001 . . . . . . . 31 ASP HN . 52448 1
161 . 1 . 1 31 31 ASP HA H 1 4.76 0.001 . . . . . . . 31 ASP HA . 52448 1
162 . 1 . 1 31 31 ASP C C 13 177.39 0.1 . . . . . . . 31 ASP C . 52448 1
163 . 1 . 1 31 31 ASP CA C 13 52.45 0.1 . . . . . . . 31 ASP CA . 52448 1
164 . 1 . 1 31 31 ASP CB C 13 42.36 0.1 . . . . . . . 31 ASP CB . 52448 1
165 . 1 . 1 31 31 ASP N N 15 130.45 0.1 . . . . . . . 31 ASP N . 52448 1
166 . 1 . 1 32 32 TYR H H 1 7.89 0.001 . . . . . . . 32 TYR HN . 52448 1
167 . 1 . 1 32 32 TYR C C 13 176.13 0.1 . . . . . . . 32 TYR C . 52448 1
168 . 1 . 1 32 32 TYR CA C 13 59.61 0.1 . . . . . . . 32 TYR CA . 52448 1
169 . 1 . 1 32 32 TYR CB C 13 36.95 0.1 . . . . . . . 32 TYR CB . 52448 1
170 . 1 . 1 32 32 TYR N N 15 115.30 0.1 . . . . . . . 32 TYR N . 52448 1
171 . 1 . 1 33 33 LYS H H 1 7.21 0.001 . . . . . . . 33 LYS HN . 52448 1
172 . 1 . 1 33 33 LYS HA H 1 3.42 0.001 . . . . . . . 33 LYS HA . 52448 1
173 . 1 . 1 33 33 LYS C C 13 180.23 0.1 . . . . . . . 33 LYS C . 52448 1
174 . 1 . 1 33 33 LYS CB C 13 30.93 0.1 . . . . . . . 33 LYS CB . 52448 1
175 . 1 . 1 33 33 LYS N N 15 121.27 0.1 . . . . . . . 33 LYS N . 52448 1
176 . 1 . 1 34 34 ASP H H 1 7.38 0.001 . . . . . . . 34 ASP HN . 52448 1
177 . 1 . 1 34 34 ASP HA H 1 4.26 0.001 . . . . . . . 34 ASP HA . 52448 1
178 . 1 . 1 34 34 ASP C C 13 177.21 0.1 . . . . . . . 34 ASP C . 52448 1
179 . 1 . 1 34 34 ASP CA C 13 56.86 0.1 . . . . . . . 34 ASP CA . 52448 1
180 . 1 . 1 34 34 ASP CB C 13 41.10 0.1 . . . . . . . 34 ASP CB . 52448 1
181 . 1 . 1 34 34 ASP N N 15 118.49 0.1 . . . . . . . 34 ASP N . 52448 1
182 . 1 . 1 35 35 ALA H H 1 6.38 0.001 . . . . . . . 35 ALA HN . 52448 1
183 . 1 . 1 35 35 ALA HA H 1 2.95 0.001 . . . . . . . 35 ALA HA . 52448 1
184 . 1 . 1 35 35 ALA C C 13 176.48 0.1 . . . . . . . 35 ALA C . 52448 1
185 . 1 . 1 35 35 ALA CA C 13 54.29 0.1 . . . . . . . 35 ALA CA . 52448 1
186 . 1 . 1 35 35 ALA CB C 13 17.57 0.1 . . . . . . . 35 ALA CB . 52448 1
187 . 1 . 1 35 35 ALA N N 15 119.00 0.1 . . . . . . . 35 ALA N . 52448 1
188 . 1 . 1 36 36 GLU H H 1 8.17 0.001 . . . . . . . 36 GLU HN . 52448 1
189 . 1 . 1 36 36 GLU C C 13 176.88 0.1 . . . . . . . 36 GLU C . 52448 1
190 . 1 . 1 36 36 GLU CA C 13 59.54 0.1 . . . . . . . 36 GLU CA . 52448 1
191 . 1 . 1 36 36 GLU CB C 13 29.86 0.1 . . . . . . . 36 GLU CB . 52448 1
192 . 1 . 1 36 36 GLU N N 15 117.41 0.1 . . . . . . . 36 GLU N . 52448 1
193 . 1 . 1 37 37 LYS H H 1 6.70 0.001 . . . . . . . 37 LYS HN . 52448 1
194 . 1 . 1 37 37 LYS HA H 1 3.62 0.001 . . . . . . . 37 LYS HA . 52448 1
195 . 1 . 1 37 37 LYS C C 13 179.53 0.1 . . . . . . . 37 LYS C . 52448 1
196 . 1 . 1 37 37 LYS CA C 13 59.09 0.1 . . . . . . . 37 LYS CA . 52448 1
197 . 1 . 1 37 37 LYS CB C 13 32.08 0.1 . . . . . . . 37 LYS CB . 52448 1
198 . 1 . 1 37 37 LYS N N 15 116.69 0.1 . . . . . . . 37 LYS N . 52448 1
199 . 1 . 1 38 38 VAL H H 1 7.06 0.001 . . . . . . . 38 VAL HN . 52448 1
200 . 1 . 1 38 38 VAL HA H 1 3.49 0.001 . . . . . . . 38 VAL HA . 52448 1
201 . 1 . 1 38 38 VAL C C 13 179.66 0.1 . . . . . . . 38 VAL C . 52448 1
202 . 1 . 1 38 38 VAL CA C 13 66.04 0.1 . . . . . . . 38 VAL CA . 52448 1
203 . 1 . 1 38 38 VAL CB C 13 31.69 0.1 . . . . . . . 38 VAL CB . 52448 1
204 . 1 . 1 38 38 VAL N N 15 118.47 0.1 . . . . . . . 38 VAL N . 52448 1
205 . 1 . 1 39 39 PHE H H 1 8.54 0.001 . . . . . . . 39 PHE HN . 52448 1
206 . 1 . 1 39 39 PHE HA H 1 4.68 0.001 . . . . . . . 39 PHE HA . 52448 1
207 . 1 . 1 39 39 PHE C C 13 178.31 0.1 . . . . . . . 39 PHE C . 52448 1
208 . 1 . 1 39 39 PHE CA C 13 56.92 0.1 . . . . . . . 39 PHE CA . 52448 1
209 . 1 . 1 39 39 PHE CB C 13 37.27 0.1 . . . . . . . 39 PHE CB . 52448 1
210 . 1 . 1 39 39 PHE N N 15 120.24 0.1 . . . . . . . 39 PHE N . 52448 1
211 . 1 . 1 40 40 LYS H H 1 8.83 0.001 . . . . . . . 40 LYS HN . 52448 1
212 . 1 . 1 40 40 LYS HA H 1 4.00 0.001 . . . . . . . 40 LYS HA . 52448 1
213 . 1 . 1 40 40 LYS C C 13 179.42 0.1 . . . . . . . 40 LYS C . 52448 1
214 . 1 . 1 40 40 LYS CA C 13 59.83 0.1 . . . . . . . 40 LYS CA . 52448 1
215 . 1 . 1 40 40 LYS CB C 13 31.36 0.1 . . . . . . . 40 LYS CB . 52448 1
216 . 1 . 1 40 40 LYS N N 15 122.53 0.1 . . . . . . . 40 LYS N . 52448 1
217 . 1 . 1 41 41 GLN H H 1 7.31 0.001 . . . . . . . 41 GLN HN . 52448 1
218 . 1 . 1 41 41 GLN HA H 1 3.90 0.001 . . . . . . . 41 GLN HA . 52448 1
219 . 1 . 1 41 41 GLN C C 13 176.89 0.1 . . . . . . . 41 GLN C . 52448 1
220 . 1 . 1 41 41 GLN CA C 13 58.40 0.1 . . . . . . . 41 GLN CA . 52448 1
221 . 1 . 1 41 41 GLN CB C 13 28.12 0.1 . . . . . . . 41 GLN CB . 52448 1
222 . 1 . 1 41 41 GLN N N 15 119.65 0.1 . . . . . . . 41 GLN N . 52448 1
223 . 1 . 1 42 42 TYR H H 1 8.07 0.001 . . . . . . . 42 TYR HN . 52448 1
224 . 1 . 1 42 42 TYR HA H 1 4.12 0.001 . . . . . . . 42 TYR HA . 52448 1
225 . 1 . 1 42 42 TYR C C 13 178.82 0.1 . . . . . . . 42 TYR C . 52448 1
226 . 1 . 1 42 42 TYR CA C 13 61.81 0.1 . . . . . . . 42 TYR CA . 52448 1
227 . 1 . 1 42 42 TYR CB C 13 38.52 0.1 . . . . . . . 42 TYR CB . 52448 1
228 . 1 . 1 42 42 TYR N N 15 120.76 0.1 . . . . . . . 42 TYR N . 52448 1
229 . 1 . 1 43 43 ALA H H 1 9.04 0.001 . . . . . . . 43 ALA HN . 52448 1
230 . 1 . 1 43 43 ALA HA H 1 3.65 0.001 . . . . . . . 43 ALA HA . 52448 1
231 . 1 . 1 43 43 ALA C C 13 179.30 0.1 . . . . . . . 43 ALA C . 52448 1
232 . 1 . 1 43 43 ALA CA C 13 56.32 0.1 . . . . . . . 43 ALA CA . 52448 1
233 . 1 . 1 43 43 ALA CB C 13 17.69 0.1 . . . . . . . 43 ALA CB . 52448 1
234 . 1 . 1 43 43 ALA N N 15 122.47 0.1 . . . . . . . 43 ALA N . 52448 1
235 . 1 . 1 44 44 ASN H H 1 8.17 0.001 . . . . . . . 44 ASN HN . 52448 1
236 . 1 . 1 44 44 ASN HA H 1 4.31 0.001 . . . . . . . 44 ASN HA . 52448 1
237 . 1 . 1 44 44 ASN C C 13 179.19 0.1 . . . . . . . 44 ASN C . 52448 1
238 . 1 . 1 44 44 ASN CA C 13 57.13 0.1 . . . . . . . 44 ASN CA . 52448 1
239 . 1 . 1 44 44 ASN CB C 13 38.76 0.1 . . . . . . . 44 ASN CB . 52448 1
240 . 1 . 1 44 44 ASN N N 15 117.88 0.1 . . . . . . . 44 ASN N . 52448 1
241 . 1 . 1 45 45 ASP H H 1 8.76 0.001 . . . . . . . 45 ASP HN . 52448 1
242 . 1 . 1 45 45 ASP HA H 1 4.22 0.001 . . . . . . . 45 ASP HA . 52448 1
243 . 1 . 1 45 45 ASP C C 13 176.91 0.1 . . . . . . . 45 ASP C . 52448 1
244 . 1 . 1 45 45 ASP CA C 13 57.04 0.1 . . . . . . . 45 ASP CA . 52448 1
245 . 1 . 1 45 45 ASP CB C 13 39.82 0.1 . . . . . . . 45 ASP CB . 52448 1
246 . 1 . 1 45 45 ASP N N 15 121.24 0.1 . . . . . . . 45 ASP N . 52448 1
247 . 1 . 1 46 46 ASN H H 1 7.26 0.001 . . . . . . . 46 ASN HN . 52448 1
248 . 1 . 1 46 46 ASN HA H 1 4.48 0.001 . . . . . . . 46 ASN HA . 52448 1
249 . 1 . 1 46 46 ASN C C 13 173.86 0.1 . . . . . . . 46 ASN C . 52448 1
250 . 1 . 1 46 46 ASN CA C 13 53.62 0.1 . . . . . . . 46 ASN CA . 52448 1
251 . 1 . 1 46 46 ASN CB C 13 39.86 0.1 . . . . . . . 46 ASN CB . 52448 1
252 . 1 . 1 46 46 ASN N N 15 115.48 0.1 . . . . . . . 46 ASN N . 52448 1
253 . 1 . 1 47 47 GLY H H 1 7.65 0.001 . . . . . . . 47 GLY HN . 52448 1
254 . 1 . 1 47 47 GLY HA2 H 1 3.79 0.001 . . . . . . . 47 GLY HA2 . 52448 1
255 . 1 . 1 47 47 GLY HA3 H 1 3.79 0.001 . . . . . . . 47 GLY HA3 . 52448 1
256 . 1 . 1 47 47 GLY C C 13 174.03 0.1 . . . . . . . 47 GLY C . 52448 1
257 . 1 . 1 47 47 GLY CA C 13 46.65 0.1 . . . . . . . 47 GLY CA . 52448 1
258 . 1 . 1 47 47 GLY N N 15 108.12 0.1 . . . . . . . 47 GLY N . 52448 1
259 . 1 . 1 48 48 VAL H H 1 8.01 0.001 . . . . . . . 48 VAL HN . 52448 1
260 . 1 . 1 48 48 VAL HA H 1 4.03 0.001 . . . . . . . 48 VAL HA . 52448 1
261 . 1 . 1 48 48 VAL C C 13 174.07 0.1 . . . . . . . 48 VAL C . 52448 1
262 . 1 . 1 48 48 VAL CA C 13 61.71 0.1 . . . . . . . 48 VAL CA . 52448 1
263 . 1 . 1 48 48 VAL CB C 13 33.30 0.1 . . . . . . . 48 VAL CB . 52448 1
264 . 1 . 1 48 48 VAL N N 15 120.80 0.1 . . . . . . . 48 VAL N . 52448 1
265 . 1 . 1 49 49 ASP H H 1 8.59 0.001 . . . . . . . 49 ASP HN . 52448 1
266 . 1 . 1 49 49 ASP HA H 1 4.75 0.001 . . . . . . . 49 ASP HA . 52448 1
267 . 1 . 1 49 49 ASP C C 13 174.11 0.1 . . . . . . . 49 ASP C . 52448 1
268 . 1 . 1 49 49 ASP CA C 13 52.63 0.1 . . . . . . . 49 ASP CA . 52448 1
269 . 1 . 1 49 49 ASP CB C 13 42.93 0.1 . . . . . . . 49 ASP CB . 52448 1
270 . 1 . 1 49 49 ASP N N 15 127.95 0.1 . . . . . . . 49 ASP N . 52448 1
271 . 1 . 1 50 50 GLY H H 1 7.82 0.001 . . . . . . . 50 GLY HN . 52448 1
272 . 1 . 1 50 50 GLY HA2 H 1 4.15 0.001 . . . . . . . 50 GLY HA2 . 52448 1
273 . 1 . 1 50 50 GLY HA3 H 1 3.49 0.001 . . . . . . . 50 GLY HA3 . 52448 1
274 . 1 . 1 50 50 GLY C C 13 171.80 0.1 . . . . . . . 50 GLY C . 52448 1
275 . 1 . 1 50 50 GLY CA C 13 45.12 0.1 . . . . . . . 50 GLY CA . 52448 1
276 . 1 . 1 50 50 GLY N N 15 107.19 0.1 . . . . . . . 50 GLY N . 52448 1
277 . 1 . 1 51 51 GLU H H 1 8.06 0.001 . . . . . . . 51 GLU HN . 52448 1
278 . 1 . 1 51 51 GLU HA H 1 4.59 0.001 . . . . . . . 51 GLU HA . 52448 1
279 . 1 . 1 51 51 GLU C C 13 176.91 0.1 . . . . . . . 51 GLU C . 52448 1
280 . 1 . 1 51 51 GLU CA C 13 55.47 0.1 . . . . . . . 51 GLU CA . 52448 1
281 . 1 . 1 51 51 GLU CB C 13 31.39 0.1 . . . . . . . 51 GLU CB . 52448 1
282 . 1 . 1 51 51 GLU N N 15 120.30 0.1 . . . . . . . 51 GLU N . 52448 1
283 . 1 . 1 52 52 TRP H H 1 9.22 0.001 . . . . . . . 52 TRP HN . 52448 1
284 . 1 . 1 52 52 TRP HA H 1 5.23 0.001 . . . . . . . 52 TRP HA . 52448 1
285 . 1 . 1 52 52 TRP C C 13 177.03 0.1 . . . . . . . 52 TRP C . 52448 1
286 . 1 . 1 52 52 TRP CA C 13 58.15 0.1 . . . . . . . 52 TRP CA . 52448 1
287 . 1 . 1 52 52 TRP CB C 13 30.50 0.1 . . . . . . . 52 TRP CB . 52448 1
288 . 1 . 1 52 52 TRP N N 15 127.92 0.1 . . . . . . . 52 TRP N . 52448 1
289 . 1 . 1 53 53 THR H H 1 9.16 0.001 . . . . . . . 53 THR HN . 52448 1
290 . 1 . 1 53 53 THR HA H 1 4.69 0.001 . . . . . . . 53 THR HA . 52448 1
291 . 1 . 1 53 53 THR C C 13 172.62 0.1 . . . . . . . 53 THR C . 52448 1
292 . 1 . 1 53 53 THR CA C 13 60.44 0.1 . . . . . . . 53 THR CA . 52448 1
293 . 1 . 1 53 53 THR CB C 13 72.15 0.1 . . . . . . . 53 THR CB . 52448 1
294 . 1 . 1 53 53 THR N N 15 114.71 0.1 . . . . . . . 53 THR N . 52448 1
295 . 1 . 1 54 54 TYR H H 1 8.44 0.001 . . . . . . . 54 TYR HN . 52448 1
296 . 1 . 1 54 54 TYR HA H 1 4.80 0.001 . . . . . . . 54 TYR HA . 52448 1
297 . 1 . 1 54 54 TYR C C 13 173.19 0.1 . . . . . . . 54 TYR C . 52448 1
298 . 1 . 1 54 54 TYR CA C 13 57.18 0.1 . . . . . . . 54 TYR CA . 52448 1
299 . 1 . 1 54 54 TYR CB C 13 41.25 0.1 . . . . . . . 54 TYR CB . 52448 1
300 . 1 . 1 54 54 TYR N N 15 120.61 0.1 . . . . . . . 54 TYR N . 52448 1
301 . 1 . 1 55 55 ASP H H 1 7.42 0.001 . . . . . . . 55 ASP HN . 52448 1
302 . 1 . 1 55 55 ASP HA H 1 4.38 0.001 . . . . . . . 55 ASP HA . 52448 1
303 . 1 . 1 55 55 ASP C C 13 174.30 0.1 . . . . . . . 55 ASP C . 52448 1
304 . 1 . 1 55 55 ASP CA C 13 51.58 0.1 . . . . . . . 55 ASP CA . 52448 1
305 . 1 . 1 55 55 ASP CB C 13 42.84 0.1 . . . . . . . 55 ASP CB . 52448 1
306 . 1 . 1 55 55 ASP N N 15 128.52 0.1 . . . . . . . 55 ASP N . 52448 1
307 . 1 . 1 56 56 ASP H H 1 8.36 0.001 . . . . . . . 56 ASP HN . 52448 1
308 . 1 . 1 56 56 ASP C C 13 177.91 0.1 . . . . . . . 56 ASP C . 52448 1
309 . 1 . 1 56 56 ASP CA C 13 56.25 0.1 . . . . . . . 56 ASP CA . 52448 1
310 . 1 . 1 56 56 ASP CB C 13 41.78 0.1 . . . . . . . 56 ASP CB . 52448 1
311 . 1 . 1 56 56 ASP N N 15 124.72 0.1 . . . . . . . 56 ASP N . 52448 1
312 . 1 . 1 57 57 ALA H H 1 8.16 0.001 . . . . . . . 57 ALA HN . 52448 1
313 . 1 . 1 57 57 ALA HA H 1 3.94 0.001 . . . . . . . 57 ALA HA . 52448 1
314 . 1 . 1 57 57 ALA C C 13 179.82 0.1 . . . . . . . 57 ALA C . 52448 1
315 . 1 . 1 57 57 ALA CA C 13 55.00 0.1 . . . . . . . 57 ALA CA . 52448 1
316 . 1 . 1 57 57 ALA CB C 13 18.15 0.1 . . . . . . . 57 ALA CB . 52448 1
317 . 1 . 1 57 57 ALA N N 15 119.91 0.1 . . . . . . . 57 ALA N . 52448 1
318 . 1 . 1 58 58 THR H H 1 6.84 0.001 . . . . . . . 58 THR HN . 52448 1
319 . 1 . 1 58 58 THR HA H 1 4.24 0.001 . . . . . . . 58 THR HA . 52448 1
320 . 1 . 1 58 58 THR C C 13 175.08 0.1 . . . . . . . 58 THR C . 52448 1
321 . 1 . 1 58 58 THR CA C 13 60.28 0.1 . . . . . . . 58 THR CA . 52448 1
322 . 1 . 1 58 58 THR CB C 13 70.03 0.1 . . . . . . . 58 THR CB . 52448 1
323 . 1 . 1 58 58 THR N N 15 103.27 0.1 . . . . . . . 58 THR N . 52448 1
324 . 1 . 1 59 59 LYS H H 1 7.71 0.001 . . . . . . . 59 LYS HN . 52448 1
325 . 1 . 1 59 59 LYS HA H 1 4.11 0.001 . . . . . . . 59 LYS HA . 52448 1
326 . 1 . 1 59 59 LYS C C 13 174.91 0.1 . . . . . . . 59 LYS C . 52448 1
327 . 1 . 1 59 59 LYS CA C 13 56.60 0.1 . . . . . . . 59 LYS CA . 52448 1
328 . 1 . 1 59 59 LYS CB C 13 29.50 0.1 . . . . . . . 59 LYS CB . 52448 1
329 . 1 . 1 59 59 LYS N N 15 122.97 0.1 . . . . . . . 59 LYS N . 52448 1
330 . 1 . 1 60 60 THR H H 1 7.29 0.001 . . . . . . . 60 THR HN . 52448 1
331 . 1 . 1 60 60 THR HA H 1 5.39 0.001 . . . . . . . 60 THR HA . 52448 1
332 . 1 . 1 60 60 THR C C 13 174.77 0.1 . . . . . . . 60 THR C . 52448 1
333 . 1 . 1 60 60 THR CA C 13 62.39 0.1 . . . . . . . 60 THR CA . 52448 1
334 . 1 . 1 60 60 THR CB C 13 71.85 0.1 . . . . . . . 60 THR CB . 52448 1
335 . 1 . 1 60 60 THR N N 15 111.25 0.1 . . . . . . . 60 THR N . 52448 1
336 . 1 . 1 61 61 PHE H H 1 10.31 0.001 . . . . . . . 61 PHE HN . 52448 1
337 . 1 . 1 61 61 PHE HA H 1 5.57 0.001 . . . . . . . 61 PHE HA . 52448 1
338 . 1 . 1 61 61 PHE C C 13 174.36 0.1 . . . . . . . 61 PHE C . 52448 1
339 . 1 . 1 61 61 PHE CA C 13 57.44 0.1 . . . . . . . 61 PHE CA . 52448 1
340 . 1 . 1 61 61 PHE CB C 13 42.65 0.1 . . . . . . . 61 PHE CB . 52448 1
341 . 1 . 1 61 61 PHE N N 15 131.17 0.1 . . . . . . . 61 PHE N . 52448 1
342 . 1 . 1 62 62 THR H H 1 8.97 0.001 . . . . . . . 62 THR HN . 52448 1
343 . 1 . 1 62 62 THR HA H 1 5.15 0.001 . . . . . . . 62 THR HA . 52448 1
344 . 1 . 1 62 62 THR C C 13 172.65 0.1 . . . . . . . 62 THR C . 52448 1
345 . 1 . 1 62 62 THR CA C 13 61.37 0.1 . . . . . . . 62 THR CA . 52448 1
346 . 1 . 1 62 62 THR CB C 13 70.65 0.1 . . . . . . . 62 THR CB . 52448 1
347 . 1 . 1 62 62 THR N N 15 117.29 0.1 . . . . . . . 62 THR N . 52448 1
348 . 1 . 1 63 63 VAL H H 1 8.18 0.001 . . . . . . . 63 VAL HN . 52448 1
349 . 1 . 1 63 63 VAL HA H 1 4.38 0.001 . . . . . . . 63 VAL HA . 52448 1
350 . 1 . 1 63 63 VAL C C 13 173.04 0.1 . . . . . . . 63 VAL C . 52448 1
351 . 1 . 1 63 63 VAL CA C 13 58.20 0.1 . . . . . . . 63 VAL CA . 52448 1
352 . 1 . 1 63 63 VAL CB C 13 32.28 0.1 . . . . . . . 63 VAL CB . 52448 1
353 . 1 . 1 63 63 VAL N N 15 123.80 0.1 . . . . . . . 63 VAL N . 52448 1
354 . 1 . 1 64 64 THR H H 1 8.26 0.001 . . . . . . . 64 THR HN . 52448 1
355 . 1 . 1 64 64 THR HA H 1 4.58 0.001 . . . . . . . 64 THR HA . 52448 1
356 . 1 . 1 64 64 THR C C 13 174.05 0.1 . . . . . . . 64 THR C . 52448 1
357 . 1 . 1 64 64 THR CA C 13 61.27 0.1 . . . . . . . 64 THR CA . 52448 1
358 . 1 . 1 64 64 THR CB C 13 70.61 0.1 . . . . . . . 64 THR CB . 52448 1
359 . 1 . 1 64 64 THR N N 15 124.19 0.1 . . . . . . . 64 THR N . 52448 1
360 . 1 . 1 65 65 GLU H H 1 7.74 0.001 . . . . . . . 65 GLU HN . 52448 1
361 . 1 . 1 65 65 GLU HA H 1 4.15 0.001 . . . . . . . 65 GLU HA . 52448 1
stop_
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