###################################
# 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_apoA77V
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_apoA77V
_Assigned_chem_shift_list.Entry_ID 17013
_Assigned_chem_shift_list.ID 1
_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' . . . 17013 1
2 '3D HNCA' . . . 17013 1
3 '3D HNCACB' . . . 17013 1
4 '3D CBCA(CO)NH' . . . 17013 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.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 GLN H H 1 8.29 0.01 . 1 . . . . 3 Gln HN . 17013 1
2 . 1 1 3 3 GLN CA C 13 56.19 0.24 . 1 . . . . 3 Gln CA . 17013 1
3 . 1 1 3 3 GLN CB C 13 29.77 0.32 . 1 . . . . 3 Gln CB . 17013 1
4 . 1 1 3 3 GLN N N 15 119.88 0.01 . 1 . . . . 3 Gln N . 17013 1
5 . 1 1 4 4 GLN H H 1 8.45 0.01 . 1 . . . . 4 Gln HN . 17013 1
6 . 1 1 4 4 GLN CA C 13 56.14 0.01 . 1 . . . . 4 Gln CA . 17013 1
7 . 1 1 4 4 GLN CB C 13 29.80 0.01 . 1 . . . . 4 Gln CB . 17013 1
8 . 1 1 4 4 GLN N N 15 122.08 0.01 . 1 . . . . 4 Gln N . 17013 1
9 . 1 1 5 5 SER H H 1 8.33 0.01 . 1 . . . . 5 Ser HN . 17013 1
10 . 1 1 5 5 SER N N 15 118.48 0.01 . 1 . . . . 5 Ser N . 17013 1
11 . 1 1 6 6 PRO CA C 13 63.67 0.11 . 1 . . . . 6 Pro CA . 17013 1
12 . 1 1 6 6 PRO CB C 13 31.87 0.06 . 1 . . . . 6 Pro CB . 17013 1
13 . 1 1 7 7 TYR H H 1 7.94 0.01 . 1 . . . . 7 Tyr HN . 17013 1
14 . 1 1 7 7 TYR CA C 13 57.93 0.01 . 1 . . . . 7 Tyr CA . 17013 1
15 . 1 1 7 7 TYR CB C 13 38.71 0.07 . 1 . . . . 7 Tyr CB . 17013 1
16 . 1 1 7 7 TYR N N 15 118.98 0.01 . 1 . . . . 7 Tyr N . 17013 1
17 . 1 1 8 8 SER H H 1 7.92 0.01 . 1 . . . . 8 Ser HN . 17013 1
18 . 1 1 8 8 SER CA C 13 58.42 0.10 . 1 . . . . 8 Ser CA . 17013 1
19 . 1 1 8 8 SER CB C 13 63.96 0.04 . 1 . . . . 8 Ser CB . 17013 1
20 . 1 1 8 8 SER N N 15 117.18 0.01 . 1 . . . . 8 Ser N . 17013 1
21 . 1 1 9 9 ALA H H 1 8.32 0.01 . 1 . . . . 9 Ala HN . 17013 1
22 . 1 1 9 9 ALA CA C 13 53.81 0.11 . 1 . . . . 9 Ala CA . 17013 1
23 . 1 1 9 9 ALA CB C 13 18.67 0.13 . 1 . . . . 9 Ala CB . 17013 1
24 . 1 1 9 9 ALA N N 15 126.28 0.01 . 1 . . . . 9 Ala N . 17013 1
25 . 1 1 10 10 ALA H H 1 8.09 0.01 . 1 . . . . 10 Ala HN . 17013 1
26 . 1 1 10 10 ALA CA C 13 53.95 0.20 . 1 . . . . 10 Ala CA . 17013 1
27 . 1 1 10 10 ALA CB C 13 18.86 0.17 . 1 . . . . 10 Ala CB . 17013 1
28 . 1 1 10 10 ALA N N 15 121.68 0.07 . 1 . . . . 10 Ala N . 17013 1
29 . 1 1 11 11 MET H H 1 7.99 0.01 . 1 . . . . 11 Met HN . 17013 1
30 . 1 1 11 11 MET CA C 13 56.79 0.11 . 1 . . . . 11 Met CA . 17013 1
31 . 1 1 11 11 MET CB C 13 32.54 0.16 . 1 . . . . 11 Met CB . 17013 1
32 . 1 1 11 11 MET N N 15 118.38 0.01 . 1 . . . . 11 Met N . 17013 1
33 . 1 1 12 12 ALA H H 1 8.12 0.01 . 1 . . . . 12 Ala HN . 17013 1
34 . 1 1 12 12 ALA CA C 13 54.48 0.06 . 1 . . . . 12 Ala CA . 17013 1
35 . 1 1 12 12 ALA CB C 13 18.78 0.05 . 1 . . . . 12 Ala CB . 17013 1
36 . 1 1 12 12 ALA N N 15 123.18 0.01 . 1 . . . . 12 Ala N . 17013 1
37 . 1 1 13 13 GLU H H 1 8.20 0.01 . 1 . . . . 13 Glu HN . 17013 1
38 . 1 1 13 13 GLU CA C 13 58.57 0.22 . 1 . . . . 13 Glu CA . 17013 1
39 . 1 1 13 13 GLU CB C 13 29.46 0.19 . 1 . . . . 13 Glu CB . 17013 1
40 . 1 1 13 13 GLU N N 15 119.38 0.04 . 1 . . . . 13 Glu N . 17013 1
41 . 1 1 14 14 GLN H H 1 8.17 0.01 . 1 . . . . 14 Gln HN . 17013 1
42 . 1 1 14 14 GLN CA C 13 58.61 0.10 . 1 . . . . 14 Gln CA . 17013 1
43 . 1 1 14 14 GLN CB C 13 28.62 0.15 . 1 . . . . 14 Gln CB . 17013 1
44 . 1 1 14 14 GLN N N 15 120.58 0.01 . 1 . . . . 14 Gln N . 17013 1
45 . 1 1 15 15 ARG H H 1 8.31 0.01 . 1 . . . . 15 Arg HN . 17013 1
46 . 1 1 15 15 ARG CA C 13 58.43 0.01 . 1 . . . . 15 Arg CA . 17013 1
47 . 1 1 15 15 ARG CB C 13 30.38 0.01 . 1 . . . . 15 Arg CB . 17013 1
48 . 1 1 15 15 ARG N N 15 118.18 0.01 . 1 . . . . 15 Arg N . 17013 1
49 . 1 1 16 16 HIS CA C 13 55.86 0.08 . 1 . . . . 16 His CA . 17013 1
50 . 1 1 16 16 HIS CB C 13 29.45 0.01 . 1 . . . . 16 His CB . 17013 1
51 . 1 1 17 17 GLN H H 1 8.36 0.01 . 1 . . . . 17 Gln HN . 17013 1
52 . 1 1 17 17 GLN CA C 13 59.01 0.20 . 1 . . . . 17 Gln CA . 17013 1
53 . 1 1 17 17 GLN CB C 13 28.82 0.75 . 1 . . . . 17 Gln CB . 17013 1
54 . 1 1 17 17 GLN N N 15 118.28 0.01 . 1 . . . . 17 Gln N . 17013 1
55 . 1 1 18 18 GLU H H 1 8.44 0.01 . 1 . . . . 18 Glu HN . 17013 1
56 . 1 1 18 18 GLU CA C 13 59.64 0.08 . 1 . . . . 18 Glu CA . 17013 1
57 . 1 1 18 18 GLU CB C 13 28.76 0.07 . 1 . . . . 18 Glu CB . 17013 1
58 . 1 1 18 18 GLU N N 15 120.18 0.01 . 1 . . . . 18 Glu N . 17013 1
59 . 1 1 19 19 TRP H H 1 8.13 0.01 . 1 . . . . 19 Trp HN . 17013 1
60 . 1 1 19 19 TRP CA C 13 59.58 0.20 . 1 . . . . 19 Trp CA . 17013 1
61 . 1 1 19 19 TRP CB C 13 29.21 0.04 . 1 . . . . 19 Trp CB . 17013 1
62 . 1 1 19 19 TRP N N 15 122.38 0.01 . 1 . . . . 19 Trp N . 17013 1
63 . 1 1 20 20 LEU H H 1 8.03 0.01 . 1 . . . . 20 Leu HN . 17013 1
64 . 1 1 20 20 LEU CA C 13 57.92 0.05 . 1 . . . . 20 Leu CA . 17013 1
65 . 1 1 20 20 LEU CB C 13 41.40 0.81 . 1 . . . . 20 Leu CB . 17013 1
66 . 1 1 20 20 LEU N N 15 117.78 0.01 . 1 . . . . 20 Leu N . 17013 1
67 . 1 1 21 21 ARG H H 1 7.97 0.01 . 1 . . . . 21 Arg HN . 17013 1
68 . 1 1 21 21 ARG CA C 13 59.53 0.09 . 1 . . . . 21 Arg CA . 17013 1
69 . 1 1 21 21 ARG CB C 13 30.44 1.00 . 1 . . . . 21 Arg CB . 17013 1
70 . 1 1 21 21 ARG N N 15 119.38 0.01 . 1 . . . . 21 Arg N . 17013 1
71 . 1 1 22 22 PHE H H 1 7.88 0.01 . 1 . . . . 22 Phe HN . 17013 1
72 . 1 1 22 22 PHE CA C 13 62.02 0.01 . 1 . . . . 22 Phe CA . 17013 1
73 . 1 1 22 22 PHE CB C 13 37.54 0.01 . 1 . . . . 22 Phe CB . 17013 1
74 . 1 1 22 22 PHE N N 15 120.48 0.01 . 1 . . . . 22 Phe N . 17013 1
75 . 1 1 23 23 VAL H H 1 7.82 0.01 . 1 . . . . 23 Val HN . 17013 1
76 . 1 1 23 23 VAL CA C 13 66.87 0.16 . 1 . . . . 23 Val CA . 17013 1
77 . 1 1 23 23 VAL CB C 13 31.08 0.01 . 1 . . . . 23 Val CB . 17013 1
78 . 1 1 23 23 VAL N N 15 119.18 0.01 . 1 . . . . 23 Val N . 17013 1
79 . 1 1 24 24 ASP H H 1 8.05 0.01 . 1 . . . . 24 Asp HN . 17013 1
80 . 1 1 24 24 ASP CA C 13 57.31 0.17 . 1 . . . . 24 Asp CA . 17013 1
81 . 1 1 24 24 ASP CB C 13 41.49 0.16 . 1 . . . . 24 Asp CB . 17013 1
82 . 1 1 24 24 ASP N N 15 121.28 0.01 . 1 . . . . 24 Asp N . 17013 1
83 . 1 1 25 25 LEU H H 1 8.22 0.01 . 1 . . . . 25 Leu HN . 17013 1
84 . 1 1 25 25 LEU CA C 13 57.83 0.19 . 1 . . . . 25 Leu CA . 17013 1
85 . 1 1 25 25 LEU CB C 13 41.94 0.54 . 1 . . . . 25 Leu CB . 17013 1
86 . 1 1 25 25 LEU N N 15 123.98 0.01 . 1 . . . . 25 Leu N . 17013 1
87 . 1 1 26 26 LEU H H 1 8.23 0.01 . 1 . . . . 26 Leu HN . 17013 1
88 . 1 1 26 26 LEU CA C 13 57.41 0.24 . 1 . . . . 26 Leu CA . 17013 1
89 . 1 1 26 26 LEU CB C 13 41.30 1.20 . 1 . . . . 26 Leu CB . 17013 1
90 . 1 1 26 26 LEU N N 15 119.18 0.01 . 1 . . . . 26 Leu N . 17013 1
91 . 1 1 27 27 LYS H H 1 7.51 0.01 . 1 . . . . 27 Lys HN . 17013 1
92 . 1 1 27 27 LYS CA C 13 59.78 0.12 . 1 . . . . 27 Lys CA . 17013 1
93 . 1 1 27 27 LYS CB C 13 32.12 0.20 . 1 . . . . 27 Lys CB . 17013 1
94 . 1 1 27 27 LYS N N 15 120.58 0.03 . 1 . . . . 27 Lys N . 17013 1
95 . 1 1 28 28 ASN H H 1 7.75 0.01 . 1 . . . . 28 Asn HN . 17013 1
96 . 1 1 28 28 ASN CA C 13 55.88 0.06 . 1 . . . . 28 Asn CA . 17013 1
97 . 1 1 28 28 ASN CB C 13 38.97 0.14 . 1 . . . . 28 Asn CB . 17013 1
98 . 1 1 28 28 ASN N N 15 116.68 0.01 . 1 . . . . 28 Asn N . 17013 1
99 . 1 1 29 29 ALA H H 1 8.95 0.01 . 1 . . . . 29 Ala HN . 17013 1
100 . 1 1 29 29 ALA CA C 13 55.84 0.23 . 1 . . . . 29 Ala CA . 17013 1
101 . 1 1 29 29 ALA CB C 13 17.66 0.09 . 1 . . . . 29 Ala CB . 17013 1
102 . 1 1 29 29 ALA N N 15 126.18 0.01 . 1 . . . . 29 Ala N . 17013 1
103 . 1 1 30 30 TYR H H 1 8.44 0.01 . 1 . . . . 30 Tyr HN . 17013 1
104 . 1 1 30 30 TYR CA C 13 61.84 0.10 . 1 . . . . 30 Tyr CA . 17013 1
105 . 1 1 30 30 TYR CB C 13 38.06 0.18 . 1 . . . . 30 Tyr CB . 17013 1
106 . 1 1 30 30 TYR N N 15 119.28 0.01 . 1 . . . . 30 Tyr N . 17013 1
107 . 1 1 31 31 GLN H H 1 7.44 0.01 . 1 . . . . 31 Gln HN . 17013 1
108 . 1 1 31 31 GLN CA C 13 58.07 0.05 . 1 . . . . 31 Gln CA . 17013 1
109 . 1 1 31 31 GLN CB C 13 28.41 0.16 . 1 . . . . 31 Gln CB . 17013 1
110 . 1 1 31 31 GLN N N 15 117.18 0.01 . 1 . . . . 31 Gln N . 17013 1
111 . 1 1 32 32 ASN H H 1 7.36 0.01 . 1 . . . . 32 Asn HN . 17013 1
112 . 1 1 32 32 ASN CA C 13 53.16 0.13 . 1 . . . . 32 Asn CA . 17013 1
113 . 1 1 32 32 ASN CB C 13 40.35 0.12 . 1 . . . . 32 Asn CB . 17013 1
114 . 1 1 32 32 ASN N N 15 115.48 0.01 . 1 . . . . 32 Asn N . 17013 1
115 . 1 1 33 33 ASP H H 1 7.93 0.01 . 1 . . . . 33 Asp HN . 17013 1
116 . 1 1 33 33 ASP CA C 13 56.22 0.15 . 1 . . . . 33 Asp CA . 17013 1
117 . 1 1 33 33 ASP CB C 13 39.93 0.08 . 1 . . . . 33 Asp CB . 17013 1
118 . 1 1 33 33 ASP N N 15 117.28 0.01 . 1 . . . . 33 Asp N . 17013 1
119 . 1 1 34 34 LEU H H 1 8.31 0.01 . 1 . . . . 34 Leu HN . 17013 1
120 . 1 1 34 34 LEU CA C 13 53.59 0.25 . 1 . . . . 34 Leu CA . 17013 1
121 . 1 1 34 34 LEU CB C 13 43.40 0.18 . 1 . . . . 34 Leu CB . 17013 1
122 . 1 1 34 34 LEU N N 15 117.78 0.01 . 1 . . . . 34 Leu N . 17013 1
123 . 1 1 35 35 HIS H H 1 9.03 0.01 . 1 . . . . 35 His HN . 17013 1
124 . 1 1 35 35 HIS CA C 13 59.48 0.10 . 1 . . . . 35 His CA . 17013 1
125 . 1 1 35 35 HIS CB C 13 28.62 0.18 . 1 . . . . 35 His CB . 17013 1
126 . 1 1 35 35 HIS N N 15 120.78 0.01 . 1 . . . . 35 His N . 17013 1
127 . 1 1 36 36 LEU H H 1 7.40 0.01 . 1 . . . . 36 Leu HN . 17013 1
128 . 1 1 36 36 LEU CA C 13 59.85 0.01 . 1 . . . . 36 Leu CA . 17013 1
129 . 1 1 36 36 LEU CB C 13 37.81 0.01 . 1 . . . . 36 Leu CB . 17013 1
130 . 1 1 36 36 LEU N N 15 119.48 0.01 . 1 . . . . 36 Leu N . 17013 1
131 . 1 1 37 37 PRO CA C 13 65.37 0.06 . 1 . . . . 37 Pro CA . 17013 1
132 . 1 1 37 37 PRO CB C 13 30.60 0.08 . 1 . . . . 37 Pro CB . 17013 1
133 . 1 1 38 38 LEU H H 1 7.89 0.01 . 1 . . . . 38 Leu HN . 17013 1
134 . 1 1 38 38 LEU CA C 13 58.68 0.20 . 1 . . . . 38 Leu CA . 17013 1
135 . 1 1 38 38 LEU CB C 13 41.41 0.12 . 1 . . . . 38 Leu CB . 17013 1
136 . 1 1 38 38 LEU N N 15 119.08 0.01 . 1 . . . . 38 Leu N . 17013 1
137 . 1 1 39 39 LEU H H 1 8.91 0.01 . 1 . . . . 39 Leu HN . 17013 1
138 . 1 1 39 39 LEU CA C 13 58.73 0.15 . 1 . . . . 39 Leu CA . 17013 1
139 . 1 1 39 39 LEU CB C 13 41.62 0.11 . 1 . . . . 39 Leu CB . 17013 1
140 . 1 1 39 39 LEU N N 15 120.68 0.01 . 1 . . . . 39 Leu N . 17013 1
141 . 1 1 40 40 ASN H H 1 8.22 0.01 . 1 . . . . 40 Asn HN . 17013 1
142 . 1 1 40 40 ASN CA C 13 54.84 0.15 . 1 . . . . 40 Asn CA . 17013 1
143 . 1 1 40 40 ASN CB C 13 37.99 0.06 . 1 . . . . 40 Asn CB . 17013 1
144 . 1 1 40 40 ASN N N 15 116.98 0.01 . 1 . . . . 40 Asn N . 17013 1
145 . 1 1 41 41 LEU H H 1 7.57 0.01 . 1 . . . . 41 Leu HN . 17013 1
146 . 1 1 41 41 LEU CA C 13 57.10 0.08 . 1 . . . . 41 Leu CA . 17013 1
147 . 1 1 41 41 LEU CB C 13 42.82 0.17 . 1 . . . . 41 Leu CB . 17013 1
148 . 1 1 41 41 LEU N N 15 119.48 0.01 . 1 . . . . 41 Leu N . 17013 1
149 . 1 1 42 42 MET H H 1 8.08 0.01 . 1 . . . . 42 Met HN . 17013 1
150 . 1 1 42 42 MET CA C 13 55.88 0.06 . 1 . . . . 42 Met CA . 17013 1
151 . 1 1 42 42 MET CB C 13 33.18 0.10 . 1 . . . . 42 Met CB . 17013 1
152 . 1 1 42 42 MET N N 15 113.88 0.01 . 1 . . . . 42 Met N . 17013 1
153 . 1 1 43 43 LEU H H 1 7.88 0.01 . 1 . . . . 43 Leu HN . 17013 1
154 . 1 1 43 43 LEU CA C 13 53.69 0.01 . 1 . . . . 43 Leu CA . 17013 1
155 . 1 1 43 43 LEU CB C 13 44.95 0.01 . 1 . . . . 43 Leu CB . 17013 1
156 . 1 1 43 43 LEU N N 15 117.88 0.01 . 1 . . . . 43 Leu N . 17013 1
157 . 1 1 45 45 PRO CA C 13 66.42 0.17 . 1 . . . . 45 Pro CA . 17013 1
158 . 1 1 45 45 PRO CB C 13 31.43 0.02 . 1 . . . . 45 Pro CB . 17013 1
159 . 1 1 46 46 ASP H H 1 8.09 0.01 . 1 . . . . 46 Asp HN . 17013 1
160 . 1 1 46 46 ASP CA C 13 56.75 0.07 . 1 . . . . 46 Asp CA . 17013 1
161 . 1 1 46 46 ASP CB C 13 40.29 0.12 . 1 . . . . 46 Asp CB . 17013 1
162 . 1 1 46 46 ASP N N 15 114.58 0.01 . 1 . . . . 46 Asp N . 17013 1
163 . 1 1 47 47 GLU H H 1 7.54 0.01 . 1 . . . . 47 Glu HN . 17013 1
164 . 1 1 47 47 GLU CA C 13 59.02 0.01 . 1 . . . . 47 Glu CA . 17013 1
165 . 1 1 47 47 GLU CB C 13 30.14 0.01 . 1 . . . . 47 Glu CB . 17013 1
166 . 1 1 47 47 GLU N N 15 122.68 0.01 . 1 . . . . 47 Glu N . 17013 1
167 . 1 1 48 48 ARG H H 1 7.85 0.01 . 1 . . . . 48 Arg HN . 17013 1
168 . 1 1 48 48 ARG CA C 13 60.20 0.06 . 1 . . . . 48 Arg CA . 17013 1
169 . 1 1 48 48 ARG CB C 13 30.31 0.10 . 1 . . . . 48 Arg CB . 17013 1
170 . 1 1 48 48 ARG N N 15 118.18 0.01 . 1 . . . . 48 Arg N . 17013 1
171 . 1 1 49 49 GLU H H 1 7.77 0.01 . 1 . . . . 49 Glu HN . 17013 1
172 . 1 1 49 49 GLU CA C 13 59.38 0.15 . 1 . . . . 49 Glu CA . 17013 1
173 . 1 1 49 49 GLU CB C 13 29.45 0.12 . 1 . . . . 49 Glu CB . 17013 1
174 . 1 1 49 49 GLU N N 15 117.68 0.01 . 1 . . . . 49 Glu N . 17013 1
175 . 1 1 50 50 ALA H H 1 7.93 0.01 . 1 . . . . 50 Ala HN . 17013 1
176 . 1 1 50 50 ALA CA C 13 55.34 0.10 . 1 . . . . 50 Ala CA . 17013 1
177 . 1 1 50 50 ALA CB C 13 17.77 0.11 . 1 . . . . 50 Ala CB . 17013 1
178 . 1 1 50 50 ALA N N 15 121.98 0.01 . 1 . . . . 50 Ala N . 17013 1
179 . 1 1 51 51 LEU H H 1 8.09 0.01 . 1 . . . . 51 Leu HN . 17013 1
180 . 1 1 51 51 LEU CA C 13 58.73 0.01 . 1 . . . . 51 Leu CA . 17013 1
181 . 1 1 51 51 LEU CB C 13 45.35 7.64 . 1 . . . . 51 Leu CB . 17013 1
182 . 1 1 51 51 LEU N N 15 119.28 0.01 . 1 . . . . 51 Leu N . 17013 1
183 . 1 1 52 52 GLY H H 1 8.24 0.01 . 1 . . . . 52 Gly HN . 17013 1
184 . 1 1 52 52 GLY CA C 13 47.54 0.01 . 1 . . . . 52 Gly CA . 17013 1
185 . 1 1 52 52 GLY N N 15 104.98 0.01 . 1 . . . . 52 Gly N . 17013 1
186 . 1 1 54 54 ARG H H 1 8.60 0.01 . 1 . . . . 54 Arg HN . 17013 1
187 . 1 1 54 54 ARG CA C 13 60.59 0.08 . 1 . . . . 54 Arg CA . 17013 1
188 . 1 1 54 54 ARG CB C 13 30.58 0.01 . 1 . . . . 54 Arg CB . 17013 1
189 . 1 1 54 54 ARG N N 15 121.38 0.01 . 1 . . . . 54 Arg N . 17013 1
190 . 1 1 55 55 VAL H H 1 7.89 0.01 . 1 . . . . 55 Val HN . 17013 1
191 . 1 1 55 55 VAL CA C 13 67.19 0.03 . 1 . . . . 55 Val CA . 17013 1
192 . 1 1 55 55 VAL CB C 13 31.24 0.02 . 1 . . . . 55 Val CB . 17013 1
193 . 1 1 55 55 VAL N N 15 119.08 0.01 . 1 . . . . 55 Val N . 17013 1
194 . 1 1 56 56 ARG H H 1 7.24 0.01 . 1 . . . . 56 Arg HN . 17013 1
195 . 1 1 56 56 ARG CA C 13 58.37 0.06 . 1 . . . . 56 Arg CA . 17013 1
196 . 1 1 56 56 ARG CB C 13 28.78 0.17 . 1 . . . . 56 Arg CB . 17013 1
197 . 1 1 56 56 ARG N N 15 119.38 0.01 . 1 . . . . 56 Arg N . 17013 1
198 . 1 1 57 57 ILE H H 1 8.20 0.01 . 1 . . . . 57 Ile HN . 17013 1
199 . 1 1 57 57 ILE CA C 13 66.42 0.01 . 1 . . . . 57 Ile CA . 17013 1
200 . 1 1 57 57 ILE CB C 13 37.84 0.01 . 1 . . . . 57 Ile CB . 17013 1
201 . 1 1 57 57 ILE N N 15 117.98 0.01 . 1 . . . . 57 Ile N . 17013 1
202 . 1 1 58 58 VAL H H 1 7.98 0.01 . 1 . . . . 58 Val HN . 17013 1
203 . 1 1 58 58 VAL N N 15 118.18 0.01 . 1 . . . . 58 Val N . 17013 1
204 . 1 1 59 59 GLU CA C 13 60.25 0.04 . 1 . . . . 59 Glu CA . 17013 1
205 . 1 1 59 59 GLU CB C 13 29.69 0.04 . 1 . . . . 59 Glu CB . 17013 1
206 . 1 1 60 60 GLU H H 1 8.32 0.01 . 1 . . . . 60 Glu HN . 17013 1
207 . 1 1 60 60 GLU CA C 13 57.67 0.14 . 1 . . . . 60 Glu CA . 17013 1
208 . 1 1 60 60 GLU CB C 13 29.10 0.08 . 1 . . . . 60 Glu CB . 17013 1
209 . 1 1 60 60 GLU N N 15 114.88 0.01 . 1 . . . . 60 Glu N . 17013 1
210 . 1 1 61 61 LEU H H 1 8.93 0.01 . 1 . . . . 61 Leu HN . 17013 1
211 . 1 1 61 61 LEU CA C 13 57.93 0.04 . 1 . . . . 61 Leu CA . 17013 1
212 . 1 1 61 61 LEU CB C 13 42.10 0.48 . 1 . . . . 61 Leu CB . 17013 1
213 . 1 1 61 61 LEU N N 15 124.28 0.01 . 1 . . . . 61 Leu N . 17013 1
214 . 1 1 62 62 LEU H H 1 8.27 0.01 . 1 . . . . 62 Leu HN . 17013 1
215 . 1 1 62 62 LEU CA C 13 57.46 0.52 . 1 . . . . 62 Leu CA . 17013 1
216 . 1 1 62 62 LEU CB C 13 42.50 0.16 . 1 . . . . 62 Leu CB . 17013 1
217 . 1 1 62 62 LEU N N 15 119.58 0.01 . 1 . . . . 62 Leu N . 17013 1
218 . 1 1 63 63 ARG H H 1 8.32 0.01 . 1 . . . . 63 Arg HN . 17013 1
219 . 1 1 63 63 ARG CA C 13 59.48 0.01 . 1 . . . . 63 Arg CA . 17013 1
220 . 1 1 63 63 ARG CB C 13 30.80 0.01 . 1 . . . . 63 Arg CB . 17013 1
221 . 1 1 63 63 ARG N N 15 119.38 0.01 . 1 . . . . 63 Arg N . 17013 1
222 . 1 1 64 64 GLY H H 1 7.62 0.01 . 1 . . . . 64 Gly HN . 17013 1
223 . 1 1 64 64 GLY N N 15 102.48 0.01 . 1 . . . . 64 Gly N . 17013 1
224 . 1 1 65 65 GLU H H 1 8.57 0.01 . 1 . . . . 65 Glu HN . 17013 1
225 . 1 1 65 65 GLU CA C 13 57.32 0.01 . 1 . . . . 65 Glu CA . 17013 1
226 . 1 1 65 65 GLU CB C 13 31.24 0.07 . 1 . . . . 65 Glu CB . 17013 1
227 . 1 1 65 65 GLU N N 15 121.38 0.01 . 1 . . . . 65 Glu N . 17013 1
228 . 1 1 66 66 MET H H 1 8.61 0.01 . 1 . . . . 66 Met HN . 17013 1
229 . 1 1 66 66 MET CA C 13 55.82 0.13 . 1 . . . . 66 Met CA . 17013 1
230 . 1 1 66 66 MET CB C 13 35.41 0.13 . 1 . . . . 66 Met CB . 17013 1
231 . 1 1 66 66 MET N N 15 118.98 0.01 . 1 . . . . 66 Met N . 17013 1
232 . 1 1 67 67 SER H H 1 8.78 0.01 . 1 . . . . 67 Ser HN . 17013 1
233 . 1 1 67 67 SER CA C 13 57.39 0.09 . 1 . . . . 67 Ser CA . 17013 1
234 . 1 1 67 67 SER CB C 13 65.06 0.11 . 1 . . . . 67 Ser CB . 17013 1
235 . 1 1 67 67 SER N N 15 118.58 0.01 . 1 . . . . 67 Ser N . 17013 1
236 . 1 1 68 68 GLN H H 1 8.84 0.01 . 1 . . . . 68 Gln HN . 17013 1
237 . 1 1 68 68 GLN CA C 13 60.67 0.13 . 1 . . . . 68 Gln CA . 17013 1
238 . 1 1 68 68 GLN CB C 13 28.38 0.16 . 1 . . . . 68 Gln CB . 17013 1
239 . 1 1 68 68 GLN N N 15 120.28 0.01 . 1 . . . . 68 Gln N . 17013 1
240 . 1 1 69 69 ARG H H 1 8.16 0.01 . 1 . . . . 69 Arg HN . 17013 1
241 . 1 1 69 69 ARG CA C 13 59.26 0.16 . 1 . . . . 69 Arg CA . 17013 1
242 . 1 1 69 69 ARG CB C 13 30.11 0.18 . 1 . . . . 69 Arg CB . 17013 1
243 . 1 1 69 69 ARG N N 15 117.68 0.01 . 1 . . . . 69 Arg N . 17013 1
244 . 1 1 70 70 GLU H H 1 7.64 0.01 . 1 . . . . 70 Glu HN . 17013 1
245 . 1 1 70 70 GLU CA C 13 59.16 0.18 . 1 . . . . 70 Glu CA . 17013 1
246 . 1 1 70 70 GLU CB C 13 30.01 0.09 . 1 . . . . 70 Glu CB . 17013 1
247 . 1 1 70 70 GLU N N 15 119.38 0.01 . 1 . . . . 70 Glu N . 17013 1
248 . 1 1 71 71 LEU H H 1 8.40 0.01 . 1 . . . . 71 Leu HN . 17013 1
249 . 1 1 71 71 LEU CA C 13 58.04 0.01 . 1 . . . . 71 Leu CA . 17013 1
250 . 1 1 71 71 LEU CB C 13 42.60 0.01 . 1 . . . . 71 Leu CB . 17013 1
251 . 1 1 71 71 LEU N N 15 121.28 0.01 . 1 . . . . 71 Leu N . 17013 1
252 . 1 1 72 72 LYS CA C 13 59.51 0.07 . 1 . . . . 72 Lys CA . 17013 1
253 . 1 1 72 72 LYS CB C 13 31.80 0.18 . 1 . . . . 72 Lys CB . 17013 1
254 . 1 1 73 73 ASN H H 1 7.71 0.01 . 1 . . . . 73 Asn HN . 17013 1
255 . 1 1 73 73 ASN CA C 13 55.62 0.01 . 1 . . . . 73 Asn CA . 17013 1
256 . 1 1 73 73 ASN CB C 13 38.76 0.01 . 1 . . . . 73 Asn CB . 17013 1
257 . 1 1 73 73 ASN N N 15 117.28 0.01 . 1 . . . . 73 Asn N . 17013 1
258 . 1 1 74 74 GLU H H 1 8.49 0.01 . 1 . . . . 74 Glu HN . 17013 1
259 . 1 1 74 74 GLU N N 15 119.88 0.01 . 1 . . . . 74 Glu N . 17013 1
260 . 1 1 75 75 LEU H H 1 8.01 0.01 . 1 . . . . 75 Leu HN . 17013 1
261 . 1 1 75 75 LEU CA C 13 54.92 0.09 . 1 . . . . 75 Leu CA . 17013 1
262 . 1 1 75 75 LEU CB C 13 43.19 0.01 . 1 . . . . 75 Leu CB . 17013 1
263 . 1 1 75 75 LEU N N 15 114.28 0.01 . 1 . . . . 75 Leu N . 17013 1
264 . 1 1 76 76 GLY H H 1 7.92 0.01 . 1 . . . . 76 Gly HN . 17013 1
265 . 1 1 76 76 GLY CA C 13 46.88 0.13 . 1 . . . . 76 Gly CA . 17013 1
266 . 1 1 76 76 GLY N N 15 108.58 0.01 . 1 . . . . 76 Gly N . 17013 1
267 . 1 1 77 77 VAL H H 1 7.06 0.01 . 1 . . . . 77 Val HN . 17013 1
268 . 1 1 77 77 VAL CA C 13 58.72 0.13 . 1 . . . . 77 Val CA . 17013 1
269 . 1 1 77 77 VAL CB C 13 31.49 2.24 . 1 . . . . 77 Val CB . 17013 1
270 . 1 1 77 77 VAL N N 15 110.48 0.01 . 1 . . . . 77 Val N . 17013 1
271 . 1 1 78 78 GLY H H 1 8.24 0.01 . 1 . . . . 78 Gly HN . 17013 1
272 . 1 1 78 78 GLY CA C 13 44.90 0.01 . 1 . . . . 78 Gly CA . 17013 1
273 . 1 1 78 78 GLY N N 15 106.68 0.01 . 1 . . . . 78 Gly N . 17013 1
274 . 1 1 84 84 ARG CA C 13 59.70 0.01 . 1 . . . . 84 Arg CA . 17013 1
275 . 1 1 84 84 ARG CB C 13 29.49 0.01 . 1 . . . . 84 Arg CB . 17013 1
276 . 1 1 85 85 GLY H H 1 7.87 0.01 . 1 . . . . 85 Gly HN . 17013 1
277 . 1 1 85 85 GLY CA C 13 47.17 0.13 . 1 . . . . 85 Gly CA . 17013 1
278 . 1 1 85 85 GLY N N 15 107.88 0.01 . 1 . . . . 85 Gly N . 17013 1
279 . 1 1 86 86 SER H H 1 8.51 0.01 . 1 . . . . 86 Ser HN . 17013 1
280 . 1 1 86 86 SER CA C 13 61.51 0.01 . 1 . . . . 86 Ser CA . 17013 1
281 . 1 1 86 86 SER CB C 13 63.07 0.01 . 1 . . . . 86 Ser CB . 17013 1
282 . 1 1 86 86 SER N N 15 116.68 0.01 . 1 . . . . 86 Ser N . 17013 1
283 . 1 1 89 89 LEU CA C 13 57.93 0.06 . 1 . . . . 89 Leu CA . 17013 1
284 . 1 1 89 89 LEU CB C 13 42.24 0.21 . 1 . . . . 89 Leu CB . 17013 1
285 . 1 1 90 90 LYS H H 1 7.89 0.01 . 1 . . . . 90 Lys HN . 17013 1
286 . 1 1 90 90 LYS CA C 13 59.16 0.13 . 1 . . . . 90 Lys CA . 17013 1
287 . 1 1 90 90 LYS CB C 13 32.42 0.18 . 1 . . . . 90 Lys CB . 17013 1
288 . 1 1 90 90 LYS N N 15 118.38 0.01 . 1 . . . . 90 Lys N . 17013 1
289 . 1 1 91 91 ALA H H 1 7.20 0.01 . 1 . . . . 91 Ala HN . 17013 1
290 . 1 1 91 91 ALA CA C 13 51.79 0.21 . 1 . . . . 91 Ala CA . 17013 1
291 . 1 1 91 91 ALA CB C 13 19.44 0.10 . 1 . . . . 91 Ala CB . 17013 1
292 . 1 1 91 91 ALA N N 15 118.38 0.01 . 1 . . . . 91 Ala N . 17013 1
293 . 1 1 92 92 ALA H H 1 7.35 0.01 . 1 . . . . 92 Ala HN . 17013 1
294 . 1 1 92 92 ALA CA C 13 50.57 0.01 . 1 . . . . 92 Ala CA . 17013 1
295 . 1 1 92 92 ALA CB C 13 17.78 0.01 . 1 . . . . 92 Ala CB . 17013 1
296 . 1 1 92 92 ALA N N 15 123.18 0.01 . 1 . . . . 92 Ala N . 17013 1
297 . 1 1 93 93 PRO CA C 13 62.57 0.16 . 1 . . . . 93 Pro CA . 17013 1
298 . 1 1 93 93 PRO CB C 13 31.94 0.01 . 1 . . . . 93 Pro CB . 17013 1
299 . 1 1 94 94 VAL H H 1 8.81 0.01 . 1 . . . . 94 Val HN . 17013 1
300 . 1 1 94 94 VAL CA C 13 66.41 0.13 . 1 . . . . 94 Val CA . 17013 1
301 . 1 1 94 94 VAL CB C 13 31.82 0.34 . 1 . . . . 94 Val CB . 17013 1
302 . 1 1 94 94 VAL N N 15 125.08 0.01 . 1 . . . . 94 Val N . 17013 1
303 . 1 1 95 95 GLU H H 1 9.66 0.01 . 1 . . . . 95 Glu HN . 17013 1
304 . 1 1 95 95 GLU CA C 13 59.94 0.05 . 1 . . . . 95 Glu CA . 17013 1
305 . 1 1 95 95 GLU CB C 13 28.56 0.20 . 1 . . . . 95 Glu CB . 17013 1
306 . 1 1 95 95 GLU N N 15 118.98 0.01 . 1 . . . . 95 Glu N . 17013 1
307 . 1 1 96 96 LEU H H 1 7.28 0.01 . 1 . . . . 96 Leu HN . 17013 1
308 . 1 1 96 96 LEU CA C 13 57.41 0.25 . 1 . . . . 96 Leu CA . 17013 1
309 . 1 1 96 96 LEU CB C 13 42.04 0.16 . 1 . . . . 96 Leu CB . 17013 1
310 . 1 1 96 96 LEU N N 15 117.28 0.01 . 1 . . . . 96 Leu N . 17013 1
311 . 1 1 97 97 ARG H H 1 7.89 0.01 . 1 . . . . 97 Arg HN . 17013 1
312 . 1 1 97 97 ARG CA C 13 61.24 0.07 . 1 . . . . 97 Arg CA . 17013 1
313 . 1 1 97 97 ARG CB C 13 29.98 0.18 . 1 . . . . 97 Arg CB . 17013 1
314 . 1 1 97 97 ARG N N 15 119.48 0.01 . 1 . . . . 97 Arg N . 17013 1
315 . 1 1 98 98 GLN H H 1 8.72 0.01 . 1 . . . . 98 Gln HN . 17013 1
316 . 1 1 98 98 GLN CA C 13 59.08 0.13 . 1 . . . . 98 Gln CA . 17013 1
317 . 1 1 98 98 GLN CB C 13 28.52 0.11 . 1 . . . . 98 Gln CB . 17013 1
318 . 1 1 98 98 GLN N N 15 116.08 0.01 . 1 . . . . 98 Gln N . 17013 1
319 . 1 1 99 99 TRP H H 1 7.51 0.01 . 1 . . . . 99 Trp HN . 17013 1
320 . 1 1 99 99 TRP CA C 13 61.68 0.09 . 1 . . . . 99 Trp CA . 17013 1
321 . 1 1 99 99 TRP CB C 13 28.41 0.03 . 1 . . . . 99 Trp CB . 17013 1
322 . 1 1 99 99 TRP N N 15 121.38 0.01 . 1 . . . . 99 Trp N . 17013 1
323 . 1 1 100 100 LEU H H 1 8.84 0.01 . 1 . . . . 100 Leu HN . 17013 1
324 . 1 1 100 100 LEU CA C 13 57.67 0.06 . 1 . . . . 100 Leu CA . 17013 1
325 . 1 1 100 100 LEU CB C 13 42.66 0.09 . 1 . . . . 100 Leu CB . 17013 1
326 . 1 1 100 100 LEU N N 15 117.38 0.01 . 1 . . . . 100 Leu N . 17013 1
327 . 1 1 101 101 GLU H H 1 8.02 0.01 . 1 . . . . 101 Glu HN . 17013 1
328 . 1 1 101 101 GLU CA C 13 60.15 0.07 . 1 . . . . 101 Glu CA . 17013 1
329 . 1 1 101 101 GLU CB C 13 29.42 0.13 . 1 . . . . 101 Glu CB . 17013 1
330 . 1 1 101 101 GLU N N 15 117.38 0.01 . 1 . . . . 101 Glu N . 17013 1
331 . 1 1 102 102 GLU H H 1 7.44 0.01 . 1 . . . . 102 Glu HN . 17013 1
332 . 1 1 102 102 GLU CA C 13 59.16 0.15 . 1 . . . . 102 Glu CA . 17013 1
333 . 1 1 102 102 GLU CB C 13 29.65 0.25 . 1 . . . . 102 Glu CB . 17013 1
334 . 1 1 102 102 GLU N N 15 118.18 0.01 . 1 . . . . 102 Glu N . 17013 1
335 . 1 1 103 103 VAL H H 1 7.96 0.01 . 1 . . . . 103 Val HN . 17013 1
336 . 1 1 103 103 VAL CA C 13 64.31 0.15 . 1 . . . . 103 Val CA . 17013 1
337 . 1 1 103 103 VAL CB C 13 32.09 0.05 . 1 . . . . 103 Val CB . 17013 1
338 . 1 1 103 103 VAL N N 15 113.28 0.01 . 1 . . . . 103 Val N . 17013 1
339 . 1 1 104 104 LEU H H 1 8.36 0.01 . 1 . . . . 104 Leu HN . 17013 1
340 . 1 1 104 104 LEU CA C 13 52.61 5.98 . 1 . . . . 104 Leu CA . 17013 1
341 . 1 1 104 104 LEU CB C 13 42.65 0.01 . 1 . . . . 104 Leu CB . 17013 1
342 . 1 1 104 104 LEU N N 15 117.38 0.01 . 1 . . . . 104 Leu N . 17013 1
343 . 1 1 105 105 LEU H H 1 7.08 0.01 . 1 . . . . 105 Leu HN . 17013 1
344 . 1 1 105 105 LEU CA C 13 55.00 0.11 . 1 . . . . 105 Leu CA . 17013 1
345 . 1 1 105 105 LEU CB C 13 41.19 0.10 . 1 . . . . 105 Leu CB . 17013 1
346 . 1 1 105 105 LEU N N 15 115.28 0.01 . 1 . . . . 105 Leu N . 17013 1
347 . 1 1 106 106 LYS H H 1 7.22 0.01 . 1 . . . . 106 Lys HN . 17013 1
348 . 1 1 106 106 LYS CA C 13 56.53 0.08 . 1 . . . . 106 Lys CA . 17013 1
349 . 1 1 106 106 LYS CB C 13 32.68 0.14 . 1 . . . . 106 Lys CB . 17013 1
350 . 1 1 106 106 LYS N N 15 119.18 0.01 . 1 . . . . 106 Lys N . 17013 1
351 . 1 1 107 107 SER H H 1 8.10 0.01 . 1 . . . . 107 Ser HN . 17013 1
352 . 1 1 107 107 SER CA C 13 58.13 0.05 . 1 . . . . 107 Ser CA . 17013 1
353 . 1 1 107 107 SER CB C 13 64.41 0.16 . 1 . . . . 107 Ser CB . 17013 1
354 . 1 1 107 107 SER N N 15 117.18 0.01 . 1 . . . . 107 Ser N . 17013 1
355 . 1 1 108 108 ASP H H 1 7.94 0.01 . 1 . . . . 108 Asp HN . 17013 1
356 . 1 1 108 108 ASP CA C 13 55.84 0.01 . 1 . . . . 108 Asp CA . 17013 1
357 . 1 1 108 108 ASP CB C 13 42.40 0.01 . 1 . . . . 108 Asp CB . 17013 1
358 . 1 1 108 108 ASP N N 15 127.78 0.01 . 1 . . . . 108 Asp N . 17013 1
stop_
save_