###################################
# 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 16509
_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' . . . 16509 1
2 '3D HNCA' . . . 16509 1
3 '3D HNCACB' . . . 16509 1
4 '3D HN(CO)CA' . . . 16509 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 $SPARKY . . 16509 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 1 1 GLY CA C 13 45.694 0.043 2 1 . . . . 1 G CA . 16509 1
2 . 1 1 2 2 SER H H 1 8.249 0.002 4 1 . . . . 2 S H . 16509 1
3 . 1 1 2 2 SER CA C 13 58.562 0.030 1 1 . . . . 2 S CA . 16509 1
4 . 1 1 2 2 SER N N 15 115.478 0.007 4 1 . . . . 2 S N . 16509 1
5 . 1 1 3 3 ASN CA C 13 53.336 0.013 2 1 . . . . 3 N CA . 16509 1
6 . 1 1 3 3 ASN CB C 13 38.613 0.030 1 1 . . . . 3 N CB . 16509 1
7 . 1 1 4 4 LYS H H 1 8.532 0.001 6 1 . . . . 4 K H . 16509 1
8 . 1 1 4 4 LYS CA C 13 56.616 0.024 3 1 . . . . 4 K CA . 16509 1
9 . 1 1 4 4 LYS CB C 13 33.251 0.013 2 1 . . . . 4 K CB . 16509 1
10 . 1 1 4 4 LYS N N 15 121.602 0.019 6 1 . . . . 4 K N . 16509 1
11 . 1 1 5 5 PHE H H 1 8.823 0.003 6 1 . . . . 5 F H . 16509 1
12 . 1 1 5 5 PHE CA C 13 58.957 0.017 3 1 . . . . 5 F CA . 16509 1
13 . 1 1 5 5 PHE CB C 13 40.621 0.030 1 1 . . . . 5 F CB . 16509 1
14 . 1 1 5 5 PHE N N 15 120.162 0.014 6 1 . . . . 5 F N . 16509 1
15 . 1 1 6 6 CYS H H 1 8.281 0.002 5 1 . . . . 6 C H . 16509 1
16 . 1 1 6 6 CYS CA C 13 52.722 0.019 3 1 . . . . 6 C CA . 16509 1
17 . 1 1 6 6 CYS CB C 13 39.105 0.030 2 1 . . . . 6 C CB . 16509 1
18 . 1 1 6 6 CYS N N 15 117.721 0.020 5 1 . . . . 6 C N . 16509 1
19 . 1 1 7 7 SER H H 1 8.617 0.001 6 1 . . . . 7 S H . 16509 1
20 . 1 1 7 7 SER CA C 13 57.990 0.036 3 1 . . . . 7 S CA . 16509 1
21 . 1 1 7 7 SER CB C 13 64.764 0.099 2 1 . . . . 7 S CB . 16509 1
22 . 1 1 7 7 SER N N 15 117.723 0.025 6 1 . . . . 7 S N . 16509 1
23 . 1 1 8 8 GLU H H 1 8.868 0.002 6 1 . . . . 8 E H . 16509 1
24 . 1 1 8 8 GLU CA C 13 58.905 0.016 3 1 . . . . 8 E CA . 16509 1
25 . 1 1 8 8 GLU CB C 13 29.208 0.030 1 1 . . . . 8 E CB . 16509 1
26 . 1 1 8 8 GLU N N 15 120.350 0.027 6 1 . . . . 8 E N . 16509 1
27 . 1 1 9 9 ALA H H 1 7.873 0.004 5 1 . . . . 9 A H . 16509 1
28 . 1 1 9 9 ALA CA C 13 52.250 0.022 3 1 . . . . 9 A CA . 16509 1
29 . 1 1 9 9 ALA CB C 13 19.013 0.204 2 1 . . . . 9 A CB . 16509 1
30 . 1 1 9 9 ALA N N 15 118.787 0.073 5 1 . . . . 9 A N . 16509 1
31 . 1 1 10 10 GLN H H 1 7.686 0.002 6 1 . . . . 10 Q H . 16509 1
32 . 1 1 10 10 GLN CA C 13 54.846 0.004 3 1 . . . . 10 Q CA . 16509 1
33 . 1 1 10 10 GLN CB C 13 32.606 0.016 2 1 . . . . 10 Q CB . 16509 1
34 . 1 1 10 10 GLN N N 15 117.415 0.023 6 1 . . . . 10 Q N . 16509 1
35 . 1 1 11 11 PHE H H 1 9.197 0.002 6 1 . . . . 11 F H . 16509 1
36 . 1 1 11 11 PHE CA C 13 56.330 0.042 3 1 . . . . 11 F CA . 16509 1
37 . 1 1 11 11 PHE CB C 13 41.545 0.013 2 1 . . . . 11 F CB . 16509 1
38 . 1 1 11 11 PHE N N 15 120.785 0.019 6 1 . . . . 11 F N . 16509 1
39 . 1 1 12 12 GLU H H 1 7.683 0.001 6 1 . . . . 12 E H . 16509 1
40 . 1 1 12 12 GLU CA C 13 54.952 0.010 3 1 . . . . 12 E CA . 16509 1
41 . 1 1 12 12 GLU CB C 13 30.489 0.083 2 1 . . . . 12 E CB . 16509 1
42 . 1 1 12 12 GLU N N 15 127.940 0.013 6 1 . . . . 12 E N . 16509 1
43 . 1 1 13 13 CYS H H 1 8.733 0.002 6 1 . . . . 13 C H . 16509 1
44 . 1 1 13 13 CYS CA C 13 55.949 0.002 3 1 . . . . 13 C CA . 16509 1
45 . 1 1 13 13 CYS CB C 13 42.396 0.157 2 1 . . . . 13 C CB . 16509 1
46 . 1 1 13 13 CYS N N 15 126.018 0.027 6 1 . . . . 13 C N . 16509 1
47 . 1 1 14 14 GLN H H 1 9.133 0.001 6 1 . . . . 14 Q H . 16509 1
48 . 1 1 14 14 GLN CA C 13 59.539 0.037 3 1 . . . . 14 Q CA . 16509 1
49 . 1 1 14 14 GLN CB C 13 27.479 0.040 2 1 . . . . 14 Q CB . 16509 1
50 . 1 1 14 14 GLN N N 15 126.086 0.015 6 1 . . . . 14 Q N . 16509 1
51 . 1 1 15 15 ASN H H 1 7.534 0.002 6 1 . . . . 15 N H . 16509 1
52 . 1 1 15 15 ASN CA C 13 52.476 0.062 4 1 . . . . 15 N CA . 16509 1
53 . 1 1 15 15 ASN CB C 13 36.709 0.058 2 1 . . . . 15 N CB . 16509 1
54 . 1 1 15 15 ASN N N 15 115.084 0.018 6 1 . . . . 15 N N . 16509 1
55 . 1 1 16 16 HIS H H 1 7.817 0.002 8 1 . . . . 16 H H . 16509 1
56 . 1 1 16 16 HIS CA C 13 57.421 0.035 3 1 . . . . 16 H CA . 16509 1
57 . 1 1 16 16 HIS CB C 13 25.604 0.002 2 1 . . . . 16 H CB . 16509 1
58 . 1 1 16 16 HIS N N 15 109.073 0.024 8 1 . . . . 16 H N . 16509 1
59 . 1 1 17 17 ARG H H 1 7.618 0.001 5 1 . . . . 17 R H . 16509 1
60 . 1 1 17 17 ARG CA C 13 57.422 0.011 3 1 . . . . 17 R CA . 16509 1
61 . 1 1 17 17 ARG CB C 13 30.818 0.041 2 1 . . . . 17 R CB . 16509 1
62 . 1 1 17 17 ARG N N 15 118.744 0.016 5 1 . . . . 17 R N . 16509 1
63 . 1 1 18 18 CYS H H 1 8.389 0.002 6 1 . . . . 18 C H . 16509 1
64 . 1 1 18 18 CYS CA C 13 53.124 0.003 3 1 . . . . 18 C CA . 16509 1
65 . 1 1 18 18 CYS CB C 13 40.965 0.042 2 1 . . . . 18 C CB . 16509 1
66 . 1 1 18 18 CYS N N 15 120.395 0.061 6 1 . . . . 18 C N . 16509 1
67 . 1 1 19 19 ILE H H 1 8.943 0.003 6 1 . . . . 19 I H . 16509 1
68 . 1 1 19 19 ILE CA C 13 58.906 0.023 2 1 . . . . 19 I CA . 16509 1
69 . 1 1 19 19 ILE CB C 13 43.920 0.030 1 1 . . . . 19 I CB . 16509 1
70 . 1 1 19 19 ILE N N 15 115.555 0.033 6 1 . . . . 19 I N . 16509 1
71 . 1 1 20 20 SER H H 1 7.438 0.001 4 1 . . . . 20 S H . 16509 1
72 . 1 1 20 20 SER CA C 13 58.226 0.033 3 1 . . . . 20 S CA . 16509 1
73 . 1 1 20 20 SER CB C 13 62.817 0.137 2 1 . . . . 20 S CB . 16509 1
74 . 1 1 20 20 SER N N 15 114.160 0.012 4 1 . . . . 20 S N . 16509 1
75 . 1 1 21 21 LYS H H 1 8.543 0.002 6 1 . . . . 21 K H . 16509 1
76 . 1 1 21 21 LYS CA C 13 59.709 0.019 3 1 . . . . 21 K CA . 16509 1
77 . 1 1 21 21 LYS CB C 13 32.267 0.030 1 1 . . . . 21 K CB . 16509 1
78 . 1 1 21 21 LYS N N 15 125.118 0.012 6 1 . . . . 21 K N . 16509 1
79 . 1 1 22 22 GLN H H 1 8.123 0.003 5 1 . . . . 22 Q H . 16509 1
80 . 1 1 22 22 GLN CA C 13 57.594 0.009 3 1 . . . . 22 Q CA . 16509 1
81 . 1 1 22 22 GLN CB C 13 27.947 0.030 1 1 . . . . 22 Q CB . 16509 1
82 . 1 1 22 22 GLN N N 15 117.110 0.024 5 1 . . . . 22 Q N . 16509 1
83 . 1 1 23 23 TRP H H 1 7.292 0.002 5 1 . . . . 23 W H . 16509 1
84 . 1 1 23 23 TRP HE1 H 1 10.031 0.030 1 1 . . . . 23 W HE1 . 16509 1
85 . 1 1 23 23 TRP CA C 13 53.761 0.014 3 1 . . . . 23 W CA . 16509 1
86 . 1 1 23 23 TRP CB C 13 28.496 0.031 2 1 . . . . 23 W CB . 16509 1
87 . 1 1 23 23 TRP N N 15 116.388 0.018 5 1 . . . . 23 W N . 16509 1
88 . 1 1 23 23 TRP NE1 N 15 126.914 0.030 1 1 . . . . 23 W NE1 . 16509 1
89 . 1 1 24 24 LEU H H 1 7.433 0.001 6 1 . . . . 24 L H . 16509 1
90 . 1 1 24 24 LEU CA C 13 55.927 0.011 3 1 . . . . 24 L CA . 16509 1
91 . 1 1 24 24 LEU CB C 13 42.701 0.028 2 1 . . . . 24 L CB . 16509 1
92 . 1 1 24 24 LEU N N 15 125.322 0.025 6 1 . . . . 24 L N . 16509 1
93 . 1 1 25 25 CYS H H 1 8.742 0.004 6 1 . . . . 25 C H . 16509 1
94 . 1 1 25 25 CYS CA C 13 54.786 0.094 3 1 . . . . 25 C CA . 16509 1
95 . 1 1 25 25 CYS CB C 13 35.589 0.265 2 1 . . . . 25 C CB . 16509 1
96 . 1 1 25 25 CYS N N 15 120.792 0.024 6 1 . . . . 25 C N . 16509 1
97 . 1 1 26 26 ASP H H 1 9.925 0.005 6 1 . . . . 26 D H . 16509 1
98 . 1 1 26 26 ASP CA C 13 52.362 0.035 3 1 . . . . 26 D CA . 16509 1
99 . 1 1 26 26 ASP CB C 13 42.079 0.011 2 1 . . . . 26 D CB . 16509 1
100 . 1 1 26 26 ASP N N 15 121.103 0.023 6 1 . . . . 26 D N . 16509 1
101 . 1 1 27 27 GLY H H 1 9.630 0.005 6 1 . . . . 27 G H . 16509 1
102 . 1 1 27 27 GLY CA C 13 45.617 0.061 5 1 . . . . 27 G CA . 16509 1
103 . 1 1 27 27 GLY N N 15 111.354 0.056 6 1 . . . . 27 G N . 16509 1
104 . 1 1 28 28 SER H H 1 7.473 0.002 6 1 . . . . 28 S H . 16509 1
105 . 1 1 28 28 SER CA C 13 56.222 0.030 1 1 . . . . 28 S CA . 16509 1
106 . 1 1 28 28 SER CB C 13 64.405 0.030 1 1 . . . . 28 S CB . 16509 1
107 . 1 1 28 28 SER N N 15 113.534 0.017 6 1 . . . . 28 S N . 16509 1
108 . 1 1 29 29 ASP H H 1 9.086 0.030 1 1 . . . . 29 D H . 16509 1
109 . 1 1 29 29 ASP CA C 13 53.602 0.004 2 1 . . . . 29 D CA . 16509 1
110 . 1 1 29 29 ASP CB C 13 39.215 0.030 1 1 . . . . 29 D CB . 16509 1
111 . 1 1 29 29 ASP N N 15 129.111 0.030 1 1 . . . . 29 D N . 16509 1
112 . 1 1 30 30 ASP H H 1 10.102 0.003 6 1 . . . . 30 D H . 16509 1
113 . 1 1 30 30 ASP CA C 13 55.970 0.004 3 1 . . . . 30 D CA . 16509 1
114 . 1 1 30 30 ASP CB C 13 43.638 0.030 1 1 . . . . 30 D CB . 16509 1
115 . 1 1 30 30 ASP N N 15 127.559 0.033 6 1 . . . . 30 D N . 16509 1
116 . 1 1 31 31 CYS H H 1 8.860 0.002 5 1 . . . . 31 C H . 16509 1
117 . 1 1 31 31 CYS CA C 13 58.206 0.039 3 1 . . . . 31 C CA . 16509 1
118 . 1 1 31 31 CYS CB C 13 43.225 0.030 2 1 . . . . 31 C CB . 16509 1
119 . 1 1 31 31 CYS N N 15 119.150 0.020 5 1 . . . . 31 C N . 16509 1
120 . 1 1 32 32 GLY H H 1 9.180 0.002 6 1 . . . . 32 G H . 16509 1
121 . 1 1 32 32 GLY CA C 13 45.002 0.027 4 1 . . . . 32 G CA . 16509 1
122 . 1 1 32 32 GLY N N 15 110.490 0.010 6 1 . . . . 32 G N . 16509 1
123 . 1 1 33 33 ASP H H 1 7.162 0.002 5 1 . . . . 33 D H . 16509 1
124 . 1 1 33 33 ASP CA C 13 51.982 0.014 3 1 . . . . 33 D CA . 16509 1
125 . 1 1 33 33 ASP CB C 13 41.868 0.059 2 1 . . . . 33 D CB . 16509 1
126 . 1 1 33 33 ASP N N 15 116.801 0.010 5 1 . . . . 33 D N . 16509 1
127 . 1 1 34 34 GLY H H 1 9.473 0.004 5 1 . . . . 34 G H . 16509 1
128 . 1 1 34 34 GLY CA C 13 45.801 0.068 3 1 . . . . 34 G CA . 16509 1
129 . 1 1 34 34 GLY N N 15 110.408 0.017 5 1 . . . . 34 G N . 16509 1
130 . 1 1 35 35 SER H H 1 9.061 0.003 4 1 . . . . 35 S H . 16509 1
131 . 1 1 35 35 SER CA C 13 63.121 0.068 3 1 . . . . 35 S CA . 16509 1
132 . 1 1 35 35 SER N N 15 116.868 0.060 4 1 . . . . 35 S N . 16509 1
133 . 1 1 36 36 ASP H H 1 10.329 0.004 5 1 . . . . 36 D H . 16509 1
134 . 1 1 36 36 ASP CA C 13 54.374 0.010 2 1 . . . . 36 D CA . 16509 1
135 . 1 1 36 36 ASP CB C 13 40.526 0.169 2 1 . . . . 36 D CB . 16509 1
136 . 1 1 36 36 ASP N N 15 116.243 0.037 5 1 . . . . 36 D N . 16509 1
137 . 1 1 37 37 GLU H H 1 7.596 0.004 5 1 . . . . 37 E H . 16509 1
138 . 1 1 37 37 GLU CA C 13 54.303 0.027 3 1 . . . . 37 E CA . 16509 1
139 . 1 1 37 37 GLU CB C 13 30.423 0.030 1 1 . . . . 37 E CB . 16509 1
140 . 1 1 37 37 GLU N N 15 118.218 0.099 5 1 . . . . 37 E N . 16509 1
141 . 1 1 38 38 ALA H H 1 6.628 0.003 5 1 . . . . 38 A H . 16509 1
142 . 1 1 38 38 ALA CA C 13 51.793 0.014 3 1 . . . . 38 A CA . 16509 1
143 . 1 1 38 38 ALA CB C 13 19.265 0.030 1 1 . . . . 38 A CB . 16509 1
144 . 1 1 38 38 ALA N N 15 122.642 0.019 5 1 . . . . 38 A N . 16509 1
145 . 1 1 39 39 ALA H H 1 7.661 0.003 5 1 . . . . 39 A H . 16509 1
146 . 1 1 39 39 ALA CA C 13 54.736 0.015 3 1 . . . . 39 A CA . 16509 1
147 . 1 1 39 39 ALA CB C 13 18.697 0.018 2 1 . . . . 39 A CB . 16509 1
148 . 1 1 39 39 ALA N N 15 121.824 0.027 5 1 . . . . 39 A N . 16509 1
149 . 1 1 40 40 HIS H H 1 7.837 0.002 6 1 . . . . 40 H H . 16509 1
150 . 1 1 40 40 HIS CA C 13 57.127 0.019 3 1 . . . . 40 H CA . 16509 1
151 . 1 1 40 40 HIS CB C 13 28.805 0.030 1 1 . . . . 40 H CB . 16509 1
152 . 1 1 40 40 HIS N N 15 114.728 0.033 6 1 . . . . 40 H N . 16509 1
153 . 1 1 41 41 CYS H H 1 7.805 0.004 5 1 . . . . 41 C H . 16509 1
154 . 1 1 41 41 CYS CA C 13 54.462 0.030 1 1 . . . . 41 C CA . 16509 1
155 . 1 1 41 41 CYS CB C 13 37.410 0.030 1 1 . . . . 41 C CB . 16509 1
156 . 1 1 41 41 CYS N N 15 117.903 0.031 5 1 . . . . 41 C N . 16509 1
157 . 1 1 42 42 GLU H H 1 8.122 0.030 1 1 . . . . 42 E H . 16509 1
158 . 1 1 42 42 GLU CA C 13 54.451 0.047 2 1 . . . . 42 E CA . 16509 1
159 . 1 1 42 42 GLU N N 15 120.562 0.030 1 1 . . . . 42 E N . 16509 1
160 . 1 1 43 43 GLY H H 1 8.290 0.012 5 1 . . . . 43 G H . 16509 1
161 . 1 1 43 43 GLY CA C 13 45.683 0.027 2 1 . . . . 43 G CA . 16509 1
162 . 1 1 43 43 GLY N N 15 109.129 0.037 5 1 . . . . 43 G N . 16509 1
163 . 1 1 46 46 CYS CA C 13 54.907 0.030 1 1 . . . . 46 C CA . 16509 1
164 . 1 1 46 46 CYS CB C 13 41.465 0.030 1 1 . . . . 46 C CB . 16509 1
165 . 1 1 47 47 GLY H H 1 8.288 0.010 3 1 . . . . 47 G H . 16509 1
166 . 1 1 47 47 GLY N N 15 109.190 0.078 3 1 . . . . 47 G N . 16509 1
167 . 1 1 48 48 PRO CA C 13 64.310 0.072 2 1 . . . . 48 P CA . 16509 1
168 . 1 1 49 49 SER H H 1 8.578 0.009 4 1 . . . . 49 S H . 16509 1
169 . 1 1 49 49 SER CA C 13 58.209 0.030 1 1 . . . . 49 S CA . 16509 1
170 . 1 1 49 49 SER N N 15 113.334 0.040 4 1 . . . . 49 S N . 16509 1
171 . 1 1 54 54 PRO CA C 13 64.178 0.030 1 1 . . . . 54 P CA . 16509 1
172 . 1 1 55 55 GLY H H 1 8.854 0.007 3 1 . . . . 55 G H . 16509 1
173 . 1 1 55 55 GLY CA C 13 45.771 0.030 1 1 . . . . 55 G CA . 16509 1
174 . 1 1 55 55 GLY N N 15 110.903 0.002 3 1 . . . . 55 G N . 16509 1
175 . 1 1 56 56 THR H H 1 7.753 0.030 1 1 . . . . 56 T H . 16509 1
176 . 1 1 56 56 THR N N 15 110.565 0.030 1 1 . . . . 56 T N . 16509 1
177 . 1 1 64 64 TRP HE1 H 1 9.918 0.030 1 1 . . . . 64 W HE1 . 16509 1
178 . 1 1 64 64 TRP NE1 N 15 126.105 0.030 1 1 . . . . 64 W NE1 . 16509 1
179 . 1 1 66 66 CYS CA C 13 54.772 0.030 1 1 . . . . 66 C CA . 16509 1
180 . 1 1 67 67 ASP H H 1 9.689 0.009 4 1 . . . . 67 D H . 16509 1
181 . 1 1 67 67 ASP CA C 13 52.739 0.030 1 1 . . . . 67 D CA . 16509 1
182 . 1 1 67 67 ASP N N 15 121.323 0.079 4 1 . . . . 67 D N . 16509 1
183 . 1 1 71 71 ASP H H 1 10.118 0.030 1 1 . . . . 71 D H . 16509 1
184 . 1 1 71 71 ASP N N 15 129.140 0.030 1 1 . . . . 71 D N . 16509 1
185 . 1 1 73 73 ALA CA C 13 55.643 0.003 2 1 . . . . 73 A CA . 16509 1
186 . 1 1 74 74 ASP H H 1 8.101 0.003 4 1 . . . . 74 D H . 16509 1
187 . 1 1 74 74 ASP CA C 13 52.650 0.009 3 1 . . . . 74 D CA . 16509 1
188 . 1 1 74 74 ASP N N 15 113.485 0.019 4 1 . . . . 74 D N . 16509 1
189 . 1 1 75 75 GLY H H 1 8.289 0.002 4 1 . . . . 75 G H . 16509 1
190 . 1 1 75 75 GLY CA C 13 46.257 0.071 3 1 . . . . 75 G CA . 16509 1
191 . 1 1 75 75 GLY N N 15 105.687 0.028 4 1 . . . . 75 G N . 16509 1
192 . 1 1 76 76 ALA H H 1 8.547 0.006 5 1 . . . . 76 A H . 16509 1
193 . 1 1 76 76 ALA CA C 13 56.077 0.030 1 1 . . . . 76 A CA . 16509 1
194 . 1 1 76 76 ALA CB C 13 19.801 0.030 1 1 . . . . 76 A CB . 16509 1
195 . 1 1 76 76 ALA N N 15 122.911 0.026 5 1 . . . . 76 A N . 16509 1
196 . 1 1 77 77 ASP CA C 13 55.043 0.010 2 1 . . . . 77 D CA . 16509 1
197 . 1 1 77 77 ASP CB C 13 42.102 0.030 1 1 . . . . 77 D CB . 16509 1
198 . 1 1 78 78 GLU H H 1 7.572 0.005 5 1 . . . . 78 E H . 16509 1
199 . 1 1 78 78 GLU CA C 13 54.153 0.022 2 1 . . . . 78 E CA . 16509 1
200 . 1 1 78 78 GLU CB C 13 30.406 0.030 1 1 . . . . 78 E CB . 16509 1
201 . 1 1 78 78 GLU N N 15 115.744 0.041 5 1 . . . . 78 E N . 16509 1
202 . 1 1 79 79 SER H H 1 7.368 0.006 4 1 . . . . 79 S H . 16509 1
203 . 1 1 79 79 SER CA C 13 57.578 0.033 2 1 . . . . 79 S CA . 16509 1
204 . 1 1 79 79 SER CB C 13 67.910 0.030 1 1 . . . . 79 S CB . 16509 1
205 . 1 1 79 79 SER N N 15 116.114 0.030 4 1 . . . . 79 S N . 16509 1
206 . 1 1 80 80 ILE H H 1 8.730 0.001 2 1 . . . . 80 I H . 16509 1
207 . 1 1 80 80 ILE CA C 13 63.898 0.026 3 1 . . . . 80 I CA . 16509 1
208 . 1 1 80 80 ILE N N 15 120.735 0.030 2 1 . . . . 80 I N . 16509 1
209 . 1 1 81 81 ALA H H 1 8.147 0.005 5 1 . . . . 81 A H . 16509 1
210 . 1 1 81 81 ALA CA C 13 54.789 0.013 3 1 . . . . 81 A CA . 16509 1
211 . 1 1 81 81 ALA CB C 13 18.088 0.030 1 1 . . . . 81 A CB . 16509 1
212 . 1 1 81 81 ALA N N 15 124.861 0.016 5 1 . . . . 81 A N . 16509 1
213 . 1 1 82 82 ALA H H 1 7.340 0.009 4 1 . . . . 82 A H . 16509 1
214 . 1 1 82 82 ALA CA C 13 51.749 0.010 3 1 . . . . 82 A CA . 16509 1
215 . 1 1 82 82 ALA CB C 13 19.782 0.030 1 1 . . . . 82 A CB . 16509 1
216 . 1 1 82 82 ALA N N 15 118.745 0.020 4 1 . . . . 82 A N . 16509 1
217 . 1 1 83 83 GLY H H 1 7.890 0.005 6 1 . . . . 83 G H . 16509 1
218 . 1 1 83 83 GLY CA C 13 44.972 0.026 3 1 . . . . 83 G CA . 16509 1
219 . 1 1 83 83 GLY N N 15 104.436 0.083 6 1 . . . . 83 G N . 16509 1
220 . 1 1 84 84 CYS H H 1 7.307 0.005 5 1 . . . . 84 C H . 16509 1
221 . 1 1 84 84 CYS CA C 13 52.676 0.035 4 1 . . . . 84 C CA . 16509 1
222 . 1 1 84 84 CYS CB C 13 33.931 0.007 2 1 . . . . 84 C CB . 16509 1
223 . 1 1 84 84 CYS N N 15 117.719 0.052 5 1 . . . . 84 C N . 16509 1
224 . 1 1 85 85 LEU H H 1 8.150 0.003 6 1 . . . . 85 L H . 16509 1
225 . 1 1 85 85 LEU CA C 13 55.049 0.005 3 1 . . . . 85 L CA . 16509 1
226 . 1 1 85 85 LEU CB C 13 42.718 0.030 1 1 . . . . 85 L CB . 16509 1
227 . 1 1 85 85 LEU N N 15 122.934 0.042 6 1 . . . . 85 L N . 16509 1
228 . 1 1 86 86 TYR H H 1 8.021 0.001 5 1 . . . . 86 Y H . 16509 1
229 . 1 1 86 86 TYR CA C 13 57.386 0.010 2 1 . . . . 86 Y CA . 16509 1
230 . 1 1 86 86 TYR CB C 13 38.780 0.030 1 1 . . . . 86 Y CB . 16509 1
231 . 1 1 86 86 TYR N N 15 119.822 0.023 5 1 . . . . 86 Y N . 16509 1
232 . 1 1 87 87 ASN H H 1 8.302 0.002 4 1 . . . . 87 N H . 16509 1
233 . 1 1 87 87 ASN CA C 13 52.978 0.023 3 1 . . . . 87 N CA . 16509 1
234 . 1 1 87 87 ASN CB C 13 39.148 0.021 2 1 . . . . 87 N CB . 16509 1
235 . 1 1 87 87 ASN N N 15 119.675 0.048 4 1 . . . . 87 N N . 16509 1
236 . 1 1 88 88 SER H H 1 8.143 0.003 6 1 . . . . 88 S H . 16509 1
237 . 1 1 88 88 SER CA C 13 58.447 0.014 3 1 . . . . 88 S CA . 16509 1
238 . 1 1 88 88 SER CB C 13 64.320 0.030 1 1 . . . . 88 S CB . 16509 1
239 . 1 1 88 88 SER N N 15 115.322 0.028 6 1 . . . . 88 S N . 16509 1
240 . 1 1 89 89 THR H H 1 8.023 0.001 5 1 . . . . 89 T H . 16509 1
241 . 1 1 89 89 THR CA C 13 61.741 0.036 3 1 . . . . 89 T CA . 16509 1
242 . 1 1 89 89 THR CB C 13 70.232 0.030 1 1 . . . . 89 T CB . 16509 1
243 . 1 1 89 89 THR N N 15 115.470 0.026 5 1 . . . . 89 T N . 16509 1
244 . 1 1 90 90 CYS H H 1 8.328 0.002 5 1 . . . . 90 C H . 16509 1
245 . 1 1 90 90 CYS CA C 13 53.190 0.024 3 1 . . . . 90 C CA . 16509 1
246 . 1 1 90 90 CYS CB C 13 38.040 0.040 2 1 . . . . 90 C CB . 16509 1
247 . 1 1 90 90 CYS N N 15 120.715 0.012 5 1 . . . . 90 C N . 16509 1
248 . 1 1 91 91 ASP H H 1 9.048 0.006 6 1 . . . . 91 D H . 16509 1
249 . 1 1 91 91 ASP CA C 13 53.706 0.050 3 1 . . . . 91 D CA . 16509 1
250 . 1 1 91 91 ASP CB C 13 42.464 0.030 1 1 . . . . 91 D CB . 16509 1
251 . 1 1 91 91 ASP N N 15 123.271 0.046 6 1 . . . . 91 D N . 16509 1
252 . 1 1 92 92 ASP H H 1 8.362 0.002 5 1 . . . . 92 D H . 16509 1
253 . 1 1 92 92 ASP CA C 13 56.858 0.012 3 1 . . . . 92 D CA . 16509 1
254 . 1 1 92 92 ASP CB C 13 40.733 0.100 2 1 . . . . 92 D CB . 16509 1
255 . 1 1 92 92 ASP N N 15 118.565 0.020 5 1 . . . . 92 D N . 16509 1
256 . 1 1 93 93 ARG H H 1 8.653 0.002 6 1 . . . . 93 R H . 16509 1
257 . 1 1 93 93 ARG CA C 13 56.155 0.017 3 1 . . . . 93 R CA . 16509 1
258 . 1 1 93 93 ARG CB C 13 29.347 0.030 1 1 . . . . 93 R CB . 16509 1
259 . 1 1 93 93 ARG N N 15 116.776 0.067 6 1 . . . . 93 R N . 16509 1
260 . 1 1 94 94 GLU H H 1 7.971 0.002 5 1 . . . . 94 E H . 16509 1
261 . 1 1 94 94 GLU CA C 13 55.288 0.056 3 1 . . . . 94 E CA . 16509 1
262 . 1 1 94 94 GLU CB C 13 33.328 0.001 2 1 . . . . 94 E CB . 16509 1
263 . 1 1 94 94 GLU N N 15 119.830 0.026 5 1 . . . . 94 E N . 16509 1
264 . 1 1 95 95 PHE H H 1 9.539 0.003 6 1 . . . . 95 F H . 16509 1
265 . 1 1 95 95 PHE CA C 13 55.736 0.011 3 1 . . . . 95 F CA . 16509 1
266 . 1 1 95 95 PHE CB C 13 42.722 0.030 1 1 . . . . 95 F CB . 16509 1
267 . 1 1 95 95 PHE N N 15 122.127 0.021 6 1 . . . . 95 F N . 16509 1
268 . 1 1 96 96 MET H H 1 7.641 0.002 5 1 . . . . 96 M H . 16509 1
269 . 1 1 96 96 MET CA C 13 54.600 0.014 3 1 . . . . 96 M CA . 16509 1
270 . 1 1 96 96 MET CB C 13 34.445 0.008 2 1 . . . . 96 M CB . 16509 1
271 . 1 1 96 96 MET N N 15 126.472 0.029 5 1 . . . . 96 M N . 16509 1
272 . 1 1 97 97 CYS H H 1 8.944 0.002 6 1 . . . . 97 C H . 16509 1
273 . 1 1 97 97 CYS CA C 13 55.498 0.009 3 1 . . . . 97 C CA . 16509 1
274 . 1 1 97 97 CYS CB C 13 41.954 0.019 2 1 . . . . 97 C CB . 16509 1
275 . 1 1 97 97 CYS N N 15 126.484 0.025 6 1 . . . . 97 C N . 16509 1
276 . 1 1 98 98 GLN H H 1 9.202 0.005 6 1 . . . . 98 Q H . 16509 1
277 . 1 1 98 98 GLN CA C 13 59.713 0.020 3 1 . . . . 98 Q CA . 16509 1
278 . 1 1 98 98 GLN CB C 13 27.460 0.012 2 1 . . . . 98 Q CB . 16509 1
279 . 1 1 98 98 GLN N N 15 125.254 0.074 6 1 . . . . 98 Q N . 16509 1
280 . 1 1 99 99 ASN H H 1 7.998 0.001 6 1 . . . . 99 N H . 16509 1
281 . 1 1 99 99 ASN CA C 13 52.680 0.012 3 1 . . . . 99 N CA . 16509 1
282 . 1 1 99 99 ASN CB C 13 36.779 0.015 2 1 . . . . 99 N CB . 16509 1
283 . 1 1 99 99 ASN N N 15 116.338 0.030 6 1 . . . . 99 N N . 16509 1
284 . 1 1 100 100 ARG H H 1 8.114 0.002 6 1 . . . . 100 R H . 16509 1
285 . 1 1 100 100 ARG CA C 13 58.791 0.002 3 1 . . . . 100 R CA . 16509 1
286 . 1 1 100 100 ARG CB C 13 26.742 0.113 2 1 . . . . 100 R CB . 16509 1
287 . 1 1 100 100 ARG N N 15 110.438 0.016 6 1 . . . . 100 R N . 16509 1
288 . 1 1 101 101 GLN H H 1 7.313 0.002 6 1 . . . . 101 Q H . 16509 1
289 . 1 1 101 101 GLN CA C 13 56.647 0.007 3 1 . . . . 101 Q CA . 16509 1
290 . 1 1 101 101 GLN CB C 13 29.517 0.102 2 1 . . . . 101 Q CB . 16509 1
291 . 1 1 101 101 GLN N N 15 118.900 0.034 6 1 . . . . 101 Q N . 16509 1
292 . 1 1 102 102 CYS H H 1 8.456 0.001 6 1 . . . . 102 C H . 16509 1
293 . 1 1 102 102 CYS CA C 13 53.933 0.026 3 1 . . . . 102 C CA . 16509 1
294 . 1 1 102 102 CYS CB C 13 42.559 0.030 1 1 . . . . 102 C CB . 16509 1
295 . 1 1 102 102 CYS N N 15 122.040 0.010 6 1 . . . . 102 C N . 16509 1
296 . 1 1 103 103 ILE H H 1 9.061 0.002 5 1 . . . . 103 I H . 16509 1
297 . 1 1 103 103 ILE CA C 13 58.526 0.030 1 1 . . . . 103 I CA . 16509 1
298 . 1 1 103 103 ILE CB C 13 40.526 0.030 1 1 . . . . 103 I CB . 16509 1
299 . 1 1 103 103 ILE N N 15 116.979 0.046 5 1 . . . . 103 I N . 16509 1
300 . 1 1 104 104 PRO CA C 13 63.867 0.045 2 1 . . . . 104 P CA . 16509 1
301 . 1 1 105 105 LYS H H 1 8.408 0.001 5 1 . . . . 105 K H . 16509 1
302 . 1 1 105 105 LYS CA C 13 59.943 0.010 2 1 . . . . 105 K CA . 16509 1
303 . 1 1 105 105 LYS CB C 13 32.152 0.030 1 1 . . . . 105 K CB . 16509 1
304 . 1 1 105 105 LYS N N 15 122.507 0.024 5 1 . . . . 105 K N . 16509 1
305 . 1 1 106 106 HIS H H 1 7.947 0.006 4 1 . . . . 106 H H . 16509 1
306 . 1 1 106 106 HIS CA C 13 57.206 0.017 3 1 . . . . 106 H CA . 16509 1
307 . 1 1 106 106 HIS CB C 13 28.775 0.157 2 1 . . . . 106 H CB . 16509 1
308 . 1 1 106 106 HIS N N 15 113.526 0.023 4 1 . . . . 106 H N . 16509 1
309 . 1 1 107 107 PHE H H 1 7.438 0.003 6 1 . . . . 107 F H . 16509 1
310 . 1 1 107 107 PHE CA C 13 54.364 0.010 2 1 . . . . 107 F CA . 16509 1
311 . 1 1 107 107 PHE CB C 13 36.810 0.030 1 1 . . . . 107 F CB . 16509 1
312 . 1 1 107 107 PHE N N 15 117.499 0.030 6 1 . . . . 107 F N . 16509 1
313 . 1 1 108 108 VAL H H 1 7.622 0.001 4 1 . . . . 108 V H . 16509 1
314 . 1 1 108 108 VAL CA C 13 64.024 0.066 3 1 . . . . 108 V CA . 16509 1
315 . 1 1 108 108 VAL CB C 13 31.444 0.060 2 1 . . . . 108 V CB . 16509 1
316 . 1 1 108 108 VAL N N 15 126.766 0.053 4 1 . . . . 108 V N . 16509 1
317 . 1 1 109 109 CYS H H 1 8.730 0.002 6 1 . . . . 109 C H . 16509 1
318 . 1 1 109 109 CYS CA C 13 55.078 0.019 3 1 . . . . 109 C CA . 16509 1
319 . 1 1 109 109 CYS CB C 13 33.441 0.132 2 1 . . . . 109 C CB . 16509 1
320 . 1 1 109 109 CYS N N 15 123.418 0.021 6 1 . . . . 109 C N . 16509 1
321 . 1 1 110 110 ASP H H 1 10.083 0.001 6 1 . . . . 110 D H . 16509 1
322 . 1 1 110 110 ASP CA C 13 52.650 0.010 3 1 . . . . 110 D CA . 16509 1
323 . 1 1 110 110 ASP CB C 13 41.709 0.067 2 1 . . . . 110 D CB . 16509 1
324 . 1 1 110 110 ASP N N 15 121.802 0.049 6 1 . . . . 110 D N . 16509 1
325 . 1 1 111 111 HIS H H 1 9.041 0.002 6 1 . . . . 111 H H . 16509 1
326 . 1 1 111 111 HIS CA C 13 60.387 0.009 3 1 . . . . 111 H CA . 16509 1
327 . 1 1 111 111 HIS CB C 13 26.885 0.015 2 1 . . . . 111 H CB . 16509 1
328 . 1 1 111 111 HIS N N 15 112.547 0.028 6 1 . . . . 111 H N . 16509 1
329 . 1 1 112 112 ASP H H 1 7.631 0.001 6 1 . . . . 112 D H . 16509 1
330 . 1 1 112 112 ASP CA C 13 53.451 0.003 2 1 . . . . 112 D CA . 16509 1
331 . 1 1 112 112 ASP CB C 13 41.694 0.030 1 1 . . . . 112 D CB . 16509 1
332 . 1 1 112 112 ASP N N 15 119.856 0.020 6 1 . . . . 112 D N . 16509 1
333 . 1 1 113 113 ARG H H 1 9.210 0.010 2 1 . . . . 113 R H . 16509 1
334 . 1 1 113 113 ARG CA C 13 57.273 0.029 2 1 . . . . 113 R CA . 16509 1
335 . 1 1 113 113 ARG CB C 13 28.716 0.030 1 1 . . . . 113 R CB . 16509 1
336 . 1 1 113 113 ARG N N 15 127.213 0.090 2 1 . . . . 113 R N . 16509 1
337 . 1 1 114 114 ASP H H 1 10.126 0.003 6 1 . . . . 114 D H . 16509 1
338 . 1 1 114 114 ASP CA C 13 56.686 0.017 2 1 . . . . 114 D CA . 16509 1
339 . 1 1 114 114 ASP CB C 13 43.947 0.030 1 1 . . . . 114 D CB . 16509 1
340 . 1 1 114 114 ASP N N 15 129.151 0.076 6 1 . . . . 114 D N . 16509 1
341 . 1 1 115 115 CYS H H 1 8.357 0.005 4 1 . . . . 115 C H . 16509 1
342 . 1 1 115 115 CYS CA C 13 55.172 0.050 2 1 . . . . 115 C CA . 16509 1
343 . 1 1 115 115 CYS CB C 13 42.386 0.030 1 1 . . . . 115 C CB . 16509 1
344 . 1 1 115 115 CYS N N 15 118.559 0.011 4 1 . . . . 115 C N . 16509 1
345 . 1 1 116 116 ALA H H 1 9.690 0.002 4 1 . . . . 116 A H . 16509 1
346 . 1 1 116 116 ALA CA C 13 55.259 0.010 3 1 . . . . 116 A CA . 16509 1
347 . 1 1 116 116 ALA CB C 13 18.028 0.030 1 1 . . . . 116 A CB . 16509 1
348 . 1 1 116 116 ALA N N 15 129.232 0.032 4 1 . . . . 116 A N . 16509 1
349 . 1 1 117 117 ASP H H 1 7.885 0.003 5 1 . . . . 117 D H . 16509 1
350 . 1 1 117 117 ASP CA C 13 52.745 0.017 3 1 . . . . 117 D CA . 16509 1
351 . 1 1 117 117 ASP CB C 13 40.949 0.024 3 1 . . . . 117 D CB . 16509 1
352 . 1 1 117 117 ASP N N 15 112.176 0.019 5 1 . . . . 117 D N . 16509 1
353 . 1 1 118 118 GLY H H 1 8.130 0.004 7 1 . . . . 118 G H . 16509 1
354 . 1 1 118 118 GLY CA C 13 46.261 0.058 4 1 . . . . 118 G CA . 16509 1
355 . 1 1 118 118 GLY N N 15 106.761 0.057 7 1 . . . . 118 G N . 16509 1
356 . 1 1 119 119 SER H H 1 8.728 0.002 5 1 . . . . 119 S H . 16509 1
357 . 1 1 119 119 SER CA C 13 61.853 0.015 3 1 . . . . 119 S CA . 16509 1
358 . 1 1 119 119 SER CB C 13 63.205 0.030 1 1 . . . . 119 S CB . 16509 1
359 . 1 1 119 119 SER N N 15 114.779 0.030 5 1 . . . . 119 S N . 16509 1
360 . 1 1 120 120 ASP H H 1 9.836 0.002 5 1 . . . . 120 D H . 16509 1
361 . 1 1 120 120 ASP CA C 13 54.562 0.004 3 1 . . . . 120 D CA . 16509 1
362 . 1 1 120 120 ASP CB C 13 40.502 0.141 2 1 . . . . 120 D CB . 16509 1
363 . 1 1 120 120 ASP N N 15 115.733 0.016 5 1 . . . . 120 D N . 16509 1
364 . 1 1 121 121 GLU H H 1 7.725 0.002 6 1 . . . . 121 E H . 16509 1
365 . 1 1 121 121 GLU CA C 13 53.359 0.007 3 1 . . . . 121 E CA . 16509 1
366 . 1 1 121 121 GLU CB C 13 29.186 0.006 2 1 . . . . 121 E CB . 16509 1
367 . 1 1 121 121 GLU N N 15 119.631 0.029 6 1 . . . . 121 E N . 16509 1
368 . 1 1 122 122 SER H H 1 7.236 0.001 6 1 . . . . 122 S H . 16509 1
369 . 1 1 122 122 SER CA C 13 57.173 0.030 1 1 . . . . 122 S CA . 16509 1
370 . 1 1 122 122 SER CB C 13 64.377 0.030 1 1 . . . . 122 S CB . 16509 1
371 . 1 1 122 122 SER N N 15 117.234 0.016 6 1 . . . . 122 S N . 16509 1
372 . 1 1 123 123 PRO CA C 13 64.612 0.054 2 1 . . . . 123 P CA . 16509 1
373 . 1 1 123 123 PRO CB C 13 31.761 0.030 1 1 . . . . 123 P CB . 16509 1
374 . 1 1 124 124 GLU H H 1 8.003 0.002 6 1 . . . . 124 E H . 16509 1
375 . 1 1 124 124 GLU CA C 13 57.058 0.043 3 1 . . . . 124 E CA . 16509 1
376 . 1 1 124 124 GLU CB C 13 29.139 0.008 2 1 . . . . 124 E CB . 16509 1
377 . 1 1 124 124 GLU N N 15 114.804 0.025 6 1 . . . . 124 E N . 16509 1
378 . 1 1 125 125 CYS H H 1 7.729 0.001 6 1 . . . . 125 C H . 16509 1
379 . 1 1 125 125 CYS CA C 13 56.162 0.019 3 1 . . . . 125 C CA . 16509 1
380 . 1 1 125 125 CYS CB C 13 36.788 0.023 2 1 . . . . 125 C CB . 16509 1
381 . 1 1 125 125 CYS N N 15 117.654 0.024 6 1 . . . . 125 C N . 16509 1
382 . 1 1 126 126 GLU H H 1 8.204 0.002 6 1 . . . . 126 E H . 16509 1
383 . 1 1 126 126 GLU CA C 13 55.290 0.033 3 1 . . . . 126 E CA . 16509 1
384 . 1 1 126 126 GLU CB C 13 29.276 0.083 2 1 . . . . 126 E CB . 16509 1
385 . 1 1 126 126 GLU N N 15 121.919 0.027 6 1 . . . . 126 E N . 16509 1
386 . 1 1 127 127 TYR H H 1 7.956 0.003 6 1 . . . . 127 Y H . 16509 1
387 . 1 1 127 127 TYR CA C 13 55.900 0.030 1 1 . . . . 127 Y CA . 16509 1
388 . 1 1 127 127 TYR CB C 13 37.956 0.030 1 1 . . . . 127 Y CB . 16509 1
389 . 1 1 127 127 TYR N N 15 121.489 0.033 6 1 . . . . 127 Y N . 16509 1
390 . 1 1 128 128 PRO CA C 13 63.695 0.030 1 1 . . . . 128 P CA . 16509 1
391 . 1 1 128 128 PRO CB C 13 32.086 0.030 1 1 . . . . 128 P CB . 16509 1
392 . 1 1 129 129 THR H H 1 7.837 0.002 5 1 . . . . 129 T H . 16509 1
393 . 1 1 129 129 THR CA C 13 63.107 0.030 1 1 . . . . 129 T CA . 16509 1
394 . 1 1 129 129 THR CB C 13 71.257 0.030 1 1 . . . . 129 T CB . 16509 1
395 . 1 1 129 129 THR N N 15 118.814 0.019 5 1 . . . . 129 T N . 16509 1
stop_
save_