###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6865
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 $sample_1 isotropic 6865 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 2 2 SER HA H 1 4.363 0.020 . 1 . . . . 2 SER HA . 6865 1
2 . 1 1 2 2 SER HB2 H 1 3.772 0.020 . 2 . . . . 2 SER HB2 . 6865 1
3 . 1 1 2 2 SER HB3 H 1 3.740 0.020 . 2 . . . . 2 SER HB3 . 6865 1
4 . 1 1 2 2 SER CA C 13 57.192 0.200 . 1 . . . . 2 SER CA . 6865 1
5 . 1 1 2 2 SER CB C 13 62.688 0.200 . 1 . . . . 2 SER CB . 6865 1
6 . 1 1 3 3 ALA H H 1 8.503 0.020 . 1 . . . . 3 ALA H . 6865 1
7 . 1 1 3 3 ALA HA H 1 4.226 0.020 . 1 . . . . 3 ALA HA . 6865 1
8 . 1 1 3 3 ALA HB1 H 1 1.191 0.020 . 1 . . . . 3 ALA HB . 6865 1
9 . 1 1 3 3 ALA HB2 H 1 1.191 0.020 . 1 . . . . 3 ALA HB . 6865 1
10 . 1 1 3 3 ALA HB3 H 1 1.191 0.020 . 1 . . . . 3 ALA HB . 6865 1
11 . 1 1 3 3 ALA CA C 13 51.358 0.200 . 1 . . . . 3 ALA CA . 6865 1
12 . 1 1 3 3 ALA CB C 13 17.785 0.200 . 1 . . . . 3 ALA CB . 6865 1
13 . 1 1 3 3 ALA N N 15 126.298 0.200 . 1 . . . . 3 ALA N . 6865 1
14 . 1 1 4 4 SER H H 1 8.295 0.020 . 1 . . . . 4 SER H . 6865 1
15 . 1 1 4 4 SER HA H 1 4.270 0.020 . 1 . . . . 4 SER HA . 6865 1
16 . 1 1 4 4 SER HB2 H 1 3.835 0.020 . 2 . . . . 4 SER HB2 . 6865 1
17 . 1 1 4 4 SER HB3 H 1 3.711 0.020 . 2 . . . . 4 SER HB3 . 6865 1
18 . 1 1 4 4 SER CA C 13 57.380 0.200 . 1 . . . . 4 SER CA . 6865 1
19 . 1 1 4 4 SER CB C 13 62.157 0.200 . 1 . . . . 4 SER CB . 6865 1
20 . 1 1 4 4 SER N N 15 115.631 0.200 . 1 . . . . 4 SER N . 6865 1
21 . 1 1 5 5 CYS N N 15 119.340 0.200 . 1 . . . . 5 CYSS N . 6865 1
22 . 1 1 5 5 CYS H H 1 8.539 0.020 . 1 . . . . 5 CYSS H . 6865 1
23 . 1 1 5 5 CYS CA C 13 54.785 0.200 . 1 . . . . 5 CYSS CA . 6865 1
24 . 1 1 5 5 CYS HA H 1 4.469 0.020 . 1 . . . . 5 CYSS HA . 6865 1
25 . 1 1 5 5 CYS CB C 13 38.737 0.200 . 1 . . . . 5 CYSS CB . 6865 1
26 . 1 1 5 5 CYS HB2 H 1 2.690 0.020 . 2 . . . . 5 CYSS HB2 . 6865 1
27 . 1 1 5 5 CYS HB3 H 1 2.690 0.020 . 2 . . . . 5 CYSS HB3 . 6865 1
28 . 1 1 6 6 GLY H H 1 7.945 0.020 . 1 . . . . 6 GLY H . 6865 1
29 . 1 1 6 6 GLY HA2 H 1 4.211 0.020 . 2 . . . . 6 GLY HA2 . 6865 1
30 . 1 1 6 6 GLY HA3 H 1 3.513 0.020 . 2 . . . . 6 GLY HA3 . 6865 1
31 . 1 1 6 6 GLY CA C 13 42.590 0.200 . 1 . . . . 6 GLY CA . 6865 1
32 . 1 1 6 6 GLY N N 15 108.378 0.200 . 1 . . . . 6 GLY N . 6865 1
33 . 1 1 7 7 VAL H H 1 8.187 0.020 . 1 . . . . 7 VAL H . 6865 1
34 . 1 1 7 7 VAL HA H 1 3.855 0.020 . 1 . . . . 7 VAL HA . 6865 1
35 . 1 1 7 7 VAL HB H 1 1.914 0.020 . 1 . . . . 7 VAL HB . 6865 1
36 . 1 1 7 7 VAL HG11 H 1 0.865 0.020 . 2 . . . . 7 VAL HG1 . 6865 1
37 . 1 1 7 7 VAL HG12 H 1 0.865 0.020 . 2 . . . . 7 VAL HG1 . 6865 1
38 . 1 1 7 7 VAL HG13 H 1 0.865 0.020 . 2 . . . . 7 VAL HG1 . 6865 1
39 . 1 1 7 7 VAL HG21 H 1 0.815 0.020 . 2 . . . . 7 VAL HG2 . 6865 1
40 . 1 1 7 7 VAL HG22 H 1 0.815 0.020 . 2 . . . . 7 VAL HG2 . 6865 1
41 . 1 1 7 7 VAL HG23 H 1 0.815 0.020 . 2 . . . . 7 VAL HG2 . 6865 1
42 . 1 1 7 7 VAL CA C 13 60.462 0.200 . 1 . . . . 7 VAL CA . 6865 1
43 . 1 1 7 7 VAL CB C 13 31.906 0.200 . 1 . . . . 7 VAL CB . 6865 1
44 . 1 1 7 7 VAL CG1 C 13 19.909 0.200 . 1 . . . . 7 VAL CG1 . 6865 1
45 . 1 1 7 7 VAL CG2 C 13 19.053 0.200 . 1 . . . . 7 VAL CG2 . 6865 1
46 . 1 1 7 7 VAL N N 15 119.992 0.200 . 1 . . . . 7 VAL N . 6865 1
47 . 1 1 8 8 TRP H H 1 8.001 0.020 . 1 . . . . 8 TRP H . 6865 1
48 . 1 1 8 8 TRP HA H 1 4.173 0.020 . 1 . . . . 8 TRP HA . 6865 1
49 . 1 1 8 8 TRP HB2 H 1 2.629 0.020 . 2 . . . . 8 TRP HB2 . 6865 1
50 . 1 1 8 8 TRP HB3 H 1 3.017 0.020 . 2 . . . . 8 TRP HB3 . 6865 1
51 . 1 1 8 8 TRP HD1 H 1 7.098 0.020 . 1 . . . . 8 TRP HD1 . 6865 1
52 . 1 1 8 8 TRP HE1 H 1 9.832 0.020 . 1 . . . . 8 TRP HE1 . 6865 1
53 . 1 1 8 8 TRP HE3 H 1 6.831 0.020 . 1 . . . . 8 TRP HE3 . 6865 1
54 . 1 1 8 8 TRP HZ2 H 1 7.096 0.020 . 1 . . . . 8 TRP HZ2 . 6865 1
55 . 1 1 8 8 TRP HZ3 H 1 6.493 0.020 . 1 . . . . 8 TRP HZ3 . 6865 1
56 . 1 1 8 8 TRP HH2 H 1 6.484 0.020 . 1 . . . . 8 TRP HH2 . 6865 1
57 . 1 1 8 8 TRP CA C 13 56.462 0.200 . 1 . . . . 8 TRP CA . 6865 1
58 . 1 1 8 8 TRP CB C 13 29.729 0.200 . 1 . . . . 8 TRP CB . 6865 1
59 . 1 1 8 8 TRP CD1 C 13 126.243 0.200 . 1 . . . . 8 TRP CD1 . 6865 1
60 . 1 1 8 8 TRP CE3 C 13 117.474 0.200 . 1 . . . . 8 TRP CE3 . 6865 1
61 . 1 1 8 8 TRP CZ2 C 13 112.988 0.200 . 1 . . . . 8 TRP CZ2 . 6865 1
62 . 1 1 8 8 TRP CZ3 C 13 120.771 0.200 . 1 . . . . 8 TRP CZ3 . 6865 1
63 . 1 1 8 8 TRP CH2 C 13 122.794 0.200 . 1 . . . . 8 TRP CH2 . 6865 1
64 . 1 1 8 8 TRP N N 15 125.018 0.200 . 1 . . . . 8 TRP N . 6865 1
65 . 1 1 8 8 TRP NE1 N 15 128.801 0.200 . 1 . . . . 8 TRP NE1 . 6865 1
66 . 1 1 9 9 ASP H H 1 8.494 0.020 . 1 . . . . 9 ASP H . 6865 1
67 . 1 1 9 9 ASP HA H 1 4.643 0.020 . 1 . . . . 9 ASP HA . 6865 1
68 . 1 1 9 9 ASP HB2 H 1 2.993 0.020 . 2 . . . . 9 ASP HB2 . 6865 1
69 . 1 1 9 9 ASP HB3 H 1 2.898 0.020 . 2 . . . . 9 ASP HB3 . 6865 1
70 . 1 1 9 9 ASP CA C 13 52.549 0.200 . 1 . . . . 9 ASP CA . 6865 1
71 . 1 1 9 9 ASP CB C 13 39.966 0.200 . 1 . . . . 9 ASP CB . 6865 1
72 . 1 1 9 9 ASP N N 15 121.698 0.200 . 1 . . . . 9 ASP N . 6865 1
73 . 1 1 10 10 GLU H H 1 8.393 0.020 . 1 . . . . 10 GLU H . 6865 1
74 . 1 1 10 10 GLU HA H 1 4.052 0.020 . 1 . . . . 10 GLU HA . 6865 1
75 . 1 1 10 10 GLU HB2 H 1 2.028 0.020 . 2 . . . . 10 GLU HB2 . 6865 1
76 . 1 1 10 10 GLU HB3 H 1 1.863 0.020 . 2 . . . . 10 GLU HB3 . 6865 1
77 . 1 1 10 10 GLU HG2 H 1 2.452 0.020 . 2 . . . . 10 GLU HG2 . 6865 1
78 . 1 1 10 10 GLU HG3 H 1 2.327 0.020 . 2 . . . . 10 GLU HG3 . 6865 1
79 . 1 1 10 10 GLU CA C 13 55.193 0.200 . 1 . . . . 10 GLU CA . 6865 1
80 . 1 1 10 10 GLU CB C 13 29.068 0.200 . 1 . . . . 10 GLU CB . 6865 1
81 . 1 1 10 10 GLU CG C 13 34.873 0.200 . 1 . . . . 10 GLU CG . 6865 1
82 . 1 1 10 10 GLU N N 15 117.440 0.200 . 1 . . . . 10 GLU N . 6865 1
83 . 1 1 11 11 TRP H H 1 8.281 0.020 . 1 . . . . 11 TRP H . 6865 1
84 . 1 1 11 11 TRP HA H 1 4.378 0.020 . 1 . . . . 11 TRP HA . 6865 1
85 . 1 1 11 11 TRP HB2 H 1 2.829 0.020 . 2 . . . . 11 TRP HB2 . 6865 1
86 . 1 1 11 11 TRP HB3 H 1 3.244 0.020 . 2 . . . . 11 TRP HB3 . 6865 1
87 . 1 1 11 11 TRP HD1 H 1 7.191 0.020 . 1 . . . . 11 TRP HD1 . 6865 1
88 . 1 1 11 11 TRP HE1 H 1 9.922 0.020 . 1 . . . . 11 TRP HE1 . 6865 1
89 . 1 1 11 11 TRP HE3 H 1 7.061 0.020 . 1 . . . . 11 TRP HE3 . 6865 1
90 . 1 1 11 11 TRP HZ2 H 1 7.017 0.020 . 1 . . . . 11 TRP HZ2 . 6865 1
91 . 1 1 11 11 TRP HZ3 H 1 6.644 0.020 . 1 . . . . 11 TRP HZ3 . 6865 1
92 . 1 1 11 11 TRP HH2 H 1 6.561 0.020 . 1 . . . . 11 TRP HH2 . 6865 1
93 . 1 1 11 11 TRP CA C 13 57.282 0.200 . 1 . . . . 11 TRP CA . 6865 1
94 . 1 1 11 11 TRP CB C 13 29.921 0.200 . 1 . . . . 11 TRP CB . 6865 1
95 . 1 1 11 11 TRP CD1 C 13 126.841 0.200 . 1 . . . . 11 TRP CD1 . 6865 1
96 . 1 1 11 11 TRP CE3 C 13 118.410 0.200 . 1 . . . . 11 TRP CE3 . 6865 1
97 . 1 1 11 11 TRP CZ2 C 13 113.605 0.200 . 1 . . . . 11 TRP CZ2 . 6865 1
98 . 1 1 11 11 TRP CZ3 C 13 120.551 0.200 . 1 . . . . 11 TRP CZ3 . 6865 1
99 . 1 1 11 11 TRP CH2 C 13 122.683 0.200 . 1 . . . . 11 TRP CH2 . 6865 1
100 . 1 1 11 11 TRP N N 15 121.713 0.200 . 1 . . . . 11 TRP N . 6865 1
101 . 1 1 11 11 TRP NE1 N 15 129.598 0.200 . 1 . . . . 11 TRP NE1 . 6865 1
102 . 1 1 12 12 SER H H 1 9.433 0.020 . 1 . . . . 12 SER H . 6865 1
103 . 1 1 12 12 SER HA H 1 4.731 0.020 . 1 . . . . 12 SER HA . 6865 1
104 . 1 1 12 12 SER HB2 H 1 4.461 0.020 . 2 . . . . 12 SER HB2 . 6865 1
105 . 1 1 12 12 SER HB3 H 1 4.121 0.020 . 2 . . . . 12 SER HB3 . 6865 1
106 . 1 1 12 12 SER CA C 13 56.645 0.200 . 1 . . . . 12 SER CA . 6865 1
107 . 1 1 12 12 SER CB C 13 62.027 0.200 . 1 . . . . 12 SER CB . 6865 1
108 . 1 1 12 12 SER N N 15 119.369 0.200 . 1 . . . . 12 SER N . 6865 1
109 . 1 1 13 13 PRO HA H 1 4.486 0.020 . 1 . . . . 13 PRO HA . 6865 1
110 . 1 1 13 13 PRO HB2 H 1 1.710 0.020 . 2 . . . . 13 PRO HB2 . 6865 1
111 . 1 1 13 13 PRO HB3 H 1 2.320 0.020 . 2 . . . . 13 PRO HB3 . 6865 1
112 . 1 1 13 13 PRO HG2 H 1 1.944 0.020 . 1 . . . . 13 PRO HG2 . 6865 1
113 . 1 1 13 13 PRO HG3 H 1 1.944 0.020 . 1 . . . . 13 PRO HG3 . 6865 1
114 . 1 1 13 13 PRO HD2 H 1 3.617 0.020 . 2 . . . . 13 PRO HD2 . 6865 1
115 . 1 1 13 13 PRO HD3 H 1 3.841 0.020 . 2 . . . . 13 PRO HD3 . 6865 1
116 . 1 1 13 13 PRO CA C 13 61.495 0.200 . 1 . . . . 13 PRO CA . 6865 1
117 . 1 1 13 13 PRO CB C 13 30.773 0.200 . 1 . . . . 13 PRO CB . 6865 1
118 . 1 1 13 13 PRO CG C 13 26.638 0.200 . 1 . . . . 13 PRO CG . 6865 1
119 . 1 1 13 13 PRO CD C 13 49.085 0.200 . 1 . . . . 13 PRO CD . 6865 1
120 . 1 1 14 14 CYS N N 15 123.390 0.200 . 1 . . . . 14 CYSS N . 6865 1
121 . 1 1 14 14 CYS H H 1 9.057 0.020 . 1 . . . . 14 CYSS H . 6865 1
122 . 1 1 14 14 CYS CA C 13 54.734 0.200 . 1 . . . . 14 CYSS CA . 6865 1
123 . 1 1 14 14 CYS HA H 1 4.423 0.020 . 1 . . . . 14 CYSS HA . 6865 1
124 . 1 1 14 14 CYS CB C 13 38.566 0.200 . 1 . . . . 14 CYSS CB . 6865 1
125 . 1 1 14 14 CYS HB2 H 1 3.186 0.020 . 2 . . . . 14 CYSS HB2 . 6865 1
126 . 1 1 14 14 CYS HB3 H 1 2.861 0.020 . 2 . . . . 14 CYSS HB3 . 6865 1
127 . 1 1 15 15 SER H H 1 8.786 0.020 . 1 . . . . 15 SER H . 6865 1
128 . 1 1 15 15 SER HA H 1 4.025 0.020 . 1 . . . . 15 SER HA . 6865 1
129 . 1 1 15 15 SER HB2 H 1 4.111 0.020 . 2 . . . . 15 SER HB2 . 6865 1
130 . 1 1 15 15 SER HB3 H 1 4.047 0.020 . 2 . . . . 15 SER HB3 . 6865 1
131 . 1 1 15 15 SER HG H 1 6.369 0.020 . 1 . . . . 15 SER HG . 6865 1
132 . 1 1 15 15 SER CA C 13 60.025 0.200 . 1 . . . . 15 SER CA . 6865 1
133 . 1 1 15 15 SER CB C 13 61.388 0.200 . 1 . . . . 15 SER CB . 6865 1
134 . 1 1 15 15 SER N N 15 122.637 0.200 . 1 . . . . 15 SER N . 6865 1
135 . 1 1 16 16 VAL H H 1 6.751 0.020 . 1 . . . . 16 VAL H . 6865 1
136 . 1 1 16 16 VAL HA H 1 4.723 0.020 . 1 . . . . 16 VAL HA . 6865 1
137 . 1 1 16 16 VAL HB H 1 2.216 0.020 . 1 . . . . 16 VAL HB . 6865 1
138 . 1 1 16 16 VAL HG11 H 1 0.867 0.020 . 2 . . . . 16 VAL HG1 . 6865 1
139 . 1 1 16 16 VAL HG12 H 1 0.867 0.020 . 2 . . . . 16 VAL HG1 . 6865 1
140 . 1 1 16 16 VAL HG13 H 1 0.867 0.020 . 2 . . . . 16 VAL HG1 . 6865 1
141 . 1 1 16 16 VAL HG21 H 1 0.233 0.020 . 2 . . . . 16 VAL HG2 . 6865 1
142 . 1 1 16 16 VAL HG22 H 1 0.233 0.020 . 2 . . . . 16 VAL HG2 . 6865 1
143 . 1 1 16 16 VAL HG23 H 1 0.233 0.020 . 2 . . . . 16 VAL HG2 . 6865 1
144 . 1 1 16 16 VAL CA C 13 57.400 0.200 . 1 . . . . 16 VAL CA . 6865 1
145 . 1 1 16 16 VAL CB C 13 34.125 0.200 . 1 . . . . 16 VAL CB . 6865 1
146 . 1 1 16 16 VAL CG1 C 13 20.875 0.200 . 1 . . . . 16 VAL CG1 . 6865 1
147 . 1 1 16 16 VAL CG2 C 13 17.183 0.200 . 1 . . . . 16 VAL CG2 . 6865 1
148 . 1 1 16 16 VAL N N 15 112.660 0.200 . 1 . . . . 16 VAL N . 6865 1
149 . 1 1 17 17 THR H H 1 8.474 0.020 . 1 . . . . 17 THR H . 6865 1
150 . 1 1 17 17 THR HA H 1 4.124 0.020 . 1 . . . . 17 THR HA . 6865 1
151 . 1 1 17 17 THR HB H 1 4.211 0.020 . 1 . . . . 17 THR HB . 6865 1
152 . 1 1 17 17 THR HG21 H 1 1.113 0.020 . 1 . . . . 17 THR HG2 . 6865 1
153 . 1 1 17 17 THR HG22 H 1 1.113 0.020 . 1 . . . . 17 THR HG2 . 6865 1
154 . 1 1 17 17 THR HG23 H 1 1.113 0.020 . 1 . . . . 17 THR HG2 . 6865 1
155 . 1 1 17 17 THR CA C 13 60.923 0.200 . 1 . . . . 17 THR CA . 6865 1
156 . 1 1 17 17 THR CB C 13 67.943 0.200 . 1 . . . . 17 THR CB . 6865 1
157 . 1 1 17 17 THR CG2 C 13 20.671 0.200 . 1 . . . . 17 THR CG2 . 6865 1
158 . 1 1 17 17 THR N N 15 109.541 0.200 . 1 . . . . 17 THR N . 6865 1
159 . 1 1 18 18 CYS N N 15 116.067 0.200 . 1 . . . . 18 CYSS N . 6865 1
160 . 1 1 18 18 CYS H H 1 7.353 0.020 . 1 . . . . 18 CYSS H . 6865 1
161 . 1 1 18 18 CYS CA C 13 53.151 0.200 . 1 . . . . 18 CYSS CA . 6865 1
162 . 1 1 18 18 CYS HA H 1 4.832 0.020 . 1 . . . . 18 CYSS HA . 6865 1
163 . 1 1 18 18 CYS CB C 13 42.786 0.200 . 1 . . . . 18 CYSS CB . 6865 1
164 . 1 1 18 18 CYS HB2 H 1 2.992 0.020 . 2 . . . . 18 CYSS HB2 . 6865 1
165 . 1 1 18 18 CYS HB3 H 1 3.053 0.020 . 2 . . . . 18 CYSS HB3 . 6865 1
166 . 1 1 19 19 GLY H H 1 8.499 0.020 . 1 . . . . 19 GLY H . 6865 1
167 . 1 1 19 19 GLY HA2 H 1 4.044 0.020 . 2 . . . . 19 GLY HA2 . 6865 1
168 . 1 1 19 19 GLY HA3 H 1 3.710 0.020 . 2 . . . . 19 GLY HA3 . 6865 1
169 . 1 1 19 19 GLY CA C 13 43.702 0.200 . 1 . . . . 19 GLY CA . 6865 1
170 . 1 1 19 19 GLY N N 15 111.529 0.200 . 1 . . . . 19 GLY N . 6865 1
171 . 1 1 20 20 LYS H H 1 8.191 0.020 . 1 . . . . 20 LYS H . 6865 1
172 . 1 1 20 20 LYS HA H 1 4.708 0.020 . 1 . . . . 20 LYS HA . 6865 1
173 . 1 1 20 20 LYS HB2 H 1 1.745 0.020 . 2 . . . . 20 LYS HB2 . 6865 1
174 . 1 1 20 20 LYS HB3 H 1 1.649 0.020 . 2 . . . . 20 LYS HB3 . 6865 1
175 . 1 1 20 20 LYS HG2 H 1 1.387 0.020 . 2 . . . . 20 LYS HG2 . 6865 1
176 . 1 1 20 20 LYS HG3 H 1 1.216 0.020 . 2 . . . . 20 LYS HG3 . 6865 1
177 . 1 1 20 20 LYS HD2 H 1 1.527 0.020 . 1 . . . . 20 LYS HD2 . 6865 1
178 . 1 1 20 20 LYS HD3 H 1 1.527 0.020 . 1 . . . . 20 LYS HD3 . 6865 1
179 . 1 1 20 20 LYS HE2 H 1 2.816 0.020 . 1 . . . . 20 LYS HE2 . 6865 1
180 . 1 1 20 20 LYS HE3 H 1 2.816 0.020 . 1 . . . . 20 LYS HE3 . 6865 1
181 . 1 1 20 20 LYS CA C 13 55.304 0.200 . 1 . . . . 20 LYS CA . 6865 1
182 . 1 1 20 20 LYS CB C 13 32.965 0.200 . 1 . . . . 20 LYS CB . 6865 1
183 . 1 1 20 20 LYS CG C 13 24.334 0.200 . 1 . . . . 20 LYS CG . 6865 1
184 . 1 1 20 20 LYS CD C 13 28.189 0.200 . 1 . . . . 20 LYS CD . 6865 1
185 . 1 1 20 20 LYS CE C 13 40.886 0.200 . 1 . . . . 20 LYS CE . 6865 1
186 . 1 1 20 20 LYS N N 15 119.087 0.200 . 1 . . . . 20 LYS N . 6865 1
187 . 1 1 21 21 GLY H H 1 8.783 0.020 . 1 . . . . 21 GLY H . 6865 1
188 . 1 1 21 21 GLY HA2 H 1 4.361 0.020 . 2 . . . . 21 GLY HA2 . 6865 1
189 . 1 1 21 21 GLY HA3 H 1 3.752 0.020 . 2 . . . . 21 GLY HA3 . 6865 1
190 . 1 1 21 21 GLY CA C 13 43.889 0.200 . 1 . . . . 21 GLY CA . 6865 1
191 . 1 1 21 21 GLY N N 15 112.501 0.200 . 1 . . . . 21 GLY N . 6865 1
192 . 1 1 22 22 THR H H 1 9.107 0.020 . 1 . . . . 22 THR H . 6865 1
193 . 1 1 22 22 THR HA H 1 5.209 0.020 . 1 . . . . 22 THR HA . 6865 1
194 . 1 1 22 22 THR HB H 1 3.922 0.020 . 1 . . . . 22 THR HB . 6865 1
195 . 1 1 22 22 THR HG21 H 1 0.997 0.020 . 1 . . . . 22 THR HG2 . 6865 1
196 . 1 1 22 22 THR HG22 H 1 0.997 0.020 . 1 . . . . 22 THR HG2 . 6865 1
197 . 1 1 22 22 THR HG23 H 1 0.997 0.020 . 1 . . . . 22 THR HG2 . 6865 1
198 . 1 1 22 22 THR CA C 13 59.595 0.200 . 1 . . . . 22 THR CA . 6865 1
199 . 1 1 22 22 THR CB C 13 71.701 0.200 . 1 . . . . 22 THR CB . 6865 1
200 . 1 1 22 22 THR CG2 C 13 20.397 0.200 . 1 . . . . 22 THR CG2 . 6865 1
201 . 1 1 22 22 THR N N 15 116.052 0.200 . 1 . . . . 22 THR N . 6865 1
202 . 1 1 23 23 ARG H H 1 9.078 0.020 . 1 . . . . 23 ARG H . 6865 1
203 . 1 1 23 23 ARG HA H 1 4.757 0.020 . 1 . . . . 23 ARG HA . 6865 1
204 . 1 1 23 23 ARG HB2 H 1 1.988 0.020 . 2 . . . . 23 ARG HB2 . 6865 1
205 . 1 1 23 23 ARG HB3 H 1 1.641 0.020 . 2 . . . . 23 ARG HB3 . 6865 1
206 . 1 1 23 23 ARG HG2 H 1 0.983 0.020 . 2 . . . . 23 ARG HG2 . 6865 1
207 . 1 1 23 23 ARG HG3 H 1 1.125 0.020 . 2 . . . . 23 ARG HG3 . 6865 1
208 . 1 1 23 23 ARG HD2 H 1 2.574 0.020 . 1 . . . . 23 ARG HD2 . 6865 1
209 . 1 1 23 23 ARG HD3 H 1 2.574 0.020 . 1 . . . . 23 ARG HD3 . 6865 1
210 . 1 1 23 23 ARG HE H 1 5.721 0.020 . 1 . . . . 23 ARG HE . 6865 1
211 . 1 1 23 23 ARG CA C 13 53.309 0.200 . 1 . . . . 23 ARG CA . 6865 1
212 . 1 1 23 23 ARG CB C 13 32.861 0.200 . 1 . . . . 23 ARG CB . 6865 1
213 . 1 1 23 23 ARG CG C 13 23.670 0.200 . 1 . . . . 23 ARG CG . 6865 1
214 . 1 1 23 23 ARG CD C 13 43.100 0.200 . 1 . . . . 23 ARG CD . 6865 1
215 . 1 1 23 23 ARG N N 15 118.656 0.200 . 1 . . . . 23 ARG N . 6865 1
216 . 1 1 23 23 ARG NE N 15 109.440 0.200 . 1 . . . . 23 ARG NE . 6865 1
217 . 1 1 24 24 SER H H 1 8.861 0.020 . 1 . . . . 24 SER H . 6865 1
218 . 1 1 24 24 SER HA H 1 5.975 0.020 . 1 . . . . 24 SER HA . 6865 1
219 . 1 1 24 24 SER HB2 H 1 3.843 0.020 . 2 . . . . 24 SER HB2 . 6865 1
220 . 1 1 24 24 SER HB3 H 1 3.782 0.020 . 2 . . . . 24 SER HB3 . 6865 1
221 . 1 1 24 24 SER CA C 13 56.053 0.200 . 1 . . . . 24 SER CA . 6865 1
222 . 1 1 24 24 SER CB C 13 66.634 0.200 . 1 . . . . 24 SER CB . 6865 1
223 . 1 1 24 24 SER N N 15 113.336 0.200 . 1 . . . . 24 SER N . 6865 1
224 . 1 1 25 25 ARG H H 1 8.602 0.020 . 1 . . . . 25 ARG H . 6865 1
225 . 1 1 25 25 ARG HA H 1 4.630 0.020 . 1 . . . . 25 ARG HA . 6865 1
226 . 1 1 25 25 ARG HB2 H 1 0.619 0.020 . 2 . . . . 25 ARG HB2 . 6865 1
227 . 1 1 25 25 ARG HB3 H 1 0.817 0.020 . 2 . . . . 25 ARG HB3 . 6865 1
228 . 1 1 25 25 ARG HG2 H 1 0.258 0.020 . 2 . . . . 25 ARG HG2 . 6865 1
229 . 1 1 25 25 ARG HG3 H 1 0.168 0.020 . 2 . . . . 25 ARG HG3 . 6865 1
230 . 1 1 25 25 ARG HD2 H 1 1.059 0.020 . 2 . . . . 25 ARG HD2 . 6865 1
231 . 1 1 25 25 ARG HD3 H 1 0.824 0.020 . 2 . . . . 25 ARG HD3 . 6865 1
232 . 1 1 25 25 ARG CA C 13 53.499 0.200 . 1 . . . . 25 ARG CA . 6865 1
233 . 1 1 25 25 ARG CB C 13 32.178 0.200 . 1 . . . . 25 ARG CB . 6865 1
234 . 1 1 25 25 ARG CG C 13 24.003 0.200 . 1 . . . . 25 ARG CG . 6865 1
235 . 1 1 25 25 ARG CD C 13 41.555 0.200 . 1 . . . . 25 ARG CD . 6865 1
236 . 1 1 25 25 ARG N N 15 120.516 0.200 . 1 . . . . 25 ARG N . 6865 1
237 . 1 1 26 26 LYS H H 1 8.133 0.020 . 1 . . . . 26 LYS H . 6865 1
238 . 1 1 26 26 LYS HA H 1 5.617 0.020 . 1 . . . . 26 LYS HA . 6865 1
239 . 1 1 26 26 LYS HB2 H 1 1.929 0.020 . 2 . . . . 26 LYS HB2 . 6865 1
240 . 1 1 26 26 LYS HB3 H 1 1.757 0.020 . 2 . . . . 26 LYS HB3 . 6865 1
241 . 1 1 26 26 LYS HG2 H 1 1.411 0.020 . 2 . . . . 26 LYS HG2 . 6865 1
242 . 1 1 26 26 LYS HG3 H 1 1.364 0.020 . 2 . . . . 26 LYS HG3 . 6865 1
243 . 1 1 26 26 LYS HD2 H 1 1.607 0.020 . 1 . . . . 26 LYS HD2 . 6865 1
244 . 1 1 26 26 LYS HD3 H 1 1.607 0.020 . 1 . . . . 26 LYS HD3 . 6865 1
245 . 1 1 26 26 LYS HE2 H 1 2.887 0.020 . 1 . . . . 26 LYS HE2 . 6865 1
246 . 1 1 26 26 LYS HE3 H 1 2.887 0.020 . 1 . . . . 26 LYS HE3 . 6865 1
247 . 1 1 26 26 LYS CA C 13 53.680 0.200 . 1 . . . . 26 LYS CA . 6865 1
248 . 1 1 26 26 LYS CB C 13 36.151 0.200 . 1 . . . . 26 LYS CB . 6865 1
249 . 1 1 26 26 LYS CG C 13 23.762 0.200 . 1 . . . . 26 LYS CG . 6865 1
250 . 1 1 26 26 LYS CD C 13 28.241 0.200 . 1 . . . . 26 LYS CD . 6865 1
251 . 1 1 26 26 LYS CE C 13 40.913 0.200 . 1 . . . . 26 LYS CE . 6865 1
252 . 1 1 26 26 LYS N N 15 119.978 0.200 . 1 . . . . 26 LYS N . 6865 1
253 . 1 1 27 27 ARG H H 1 8.050 0.020 . 1 . . . . 27 ARG H . 6865 1
254 . 1 1 27 27 ARG HA H 1 4.510 0.020 . 1 . . . . 27 ARG HA . 6865 1
255 . 1 1 27 27 ARG HB2 H 1 1.195 0.020 . 2 . . . . 27 ARG HB2 . 6865 1
256 . 1 1 27 27 ARG HB3 H 1 1.142 0.020 . 2 . . . . 27 ARG HB3 . 6865 1
257 . 1 1 27 27 ARG HG2 H 1 0.766 0.020 . 2 . . . . 27 ARG HG2 . 6865 1
258 . 1 1 27 27 ARG HG3 H 1 0.505 0.020 . 2 . . . . 27 ARG HG3 . 6865 1
259 . 1 1 27 27 ARG HD2 H 1 0.271 0.020 . 2 . . . . 27 ARG HD2 . 6865 1
260 . 1 1 27 27 ARG HD3 H 1 1.780 0.020 . 2 . . . . 27 ARG HD3 . 6865 1
261 . 1 1 27 27 ARG HE H 1 5.952 0.020 . 1 . . . . 27 ARG HE . 6865 1
262 . 1 1 27 27 ARG CA C 13 53.346 0.200 . 1 . . . . 27 ARG CA . 6865 1
263 . 1 1 27 27 ARG CB C 13 32.351 0.200 . 1 . . . . 27 ARG CB . 6865 1
264 . 1 1 27 27 ARG CG C 13 23.120 0.200 . 1 . . . . 27 ARG CG . 6865 1
265 . 1 1 27 27 ARG CD C 13 42.008 0.200 . 1 . . . . 27 ARG CD . 6865 1
266 . 1 1 27 27 ARG N N 15 113.848 0.200 . 1 . . . . 27 ARG N . 6865 1
267 . 1 1 27 27 ARG NE N 15 112.640 0.200 . 1 . . . . 27 ARG NE . 6865 1
268 . 1 1 28 28 GLU H H 1 8.287 0.020 . 1 . . . . 28 GLU H . 6865 1
269 . 1 1 28 28 GLU HA H 1 4.180 0.020 . 1 . . . . 28 GLU HA . 6865 1
270 . 1 1 28 28 GLU HB2 H 1 1.779 0.020 . 2 . . . . 28 GLU HB2 . 6865 1
271 . 1 1 28 28 GLU HB3 H 1 1.723 0.020 . 2 . . . . 28 GLU HB3 . 6865 1
272 . 1 1 28 28 GLU HG2 H 1 2.141 0.020 . 2 . . . . 28 GLU HG2 . 6865 1
273 . 1 1 28 28 GLU HG3 H 1 2.037 0.020 . 2 . . . . 28 GLU HG3 . 6865 1
274 . 1 1 28 28 GLU CA C 13 54.134 0.200 . 1 . . . . 28 GLU CA . 6865 1
275 . 1 1 28 28 GLU CB C 13 28.317 0.200 . 1 . . . . 28 GLU CB . 6865 1
276 . 1 1 28 28 GLU CG C 13 34.853 0.200 . 1 . . . . 28 GLU CG . 6865 1
277 . 1 1 28 28 GLU N N 15 121.213 0.200 . 1 . . . . 28 GLU N . 6865 1
278 . 1 1 29 29 ILE H H 1 8.163 0.020 . 1 . . . . 29 ILE H . 6865 1
279 . 1 1 29 29 ILE HA H 1 4.012 0.020 . 1 . . . . 29 ILE HA . 6865 1
280 . 1 1 29 29 ILE HB H 1 1.564 0.020 . 1 . . . . 29 ILE HB . 6865 1
281 . 1 1 29 29 ILE HG12 H 1 1.319 0.020 . 2 . . . . 29 ILE HG12 . 6865 1
282 . 1 1 29 29 ILE HG13 H 1 0.930 0.020 . 2 . . . . 29 ILE HG13 . 6865 1
283 . 1 1 29 29 ILE HG21 H 1 0.566 0.020 . 1 . . . . 29 ILE HG2 . 6865 1
284 . 1 1 29 29 ILE HG22 H 1 0.566 0.020 . 1 . . . . 29 ILE HG2 . 6865 1
285 . 1 1 29 29 ILE HG23 H 1 0.566 0.020 . 1 . . . . 29 ILE HG2 . 6865 1
286 . 1 1 29 29 ILE HD11 H 1 0.785 0.020 . 1 . . . . 29 ILE HD1 . 6865 1
287 . 1 1 29 29 ILE HD12 H 1 0.785 0.020 . 1 . . . . 29 ILE HD1 . 6865 1
288 . 1 1 29 29 ILE HD13 H 1 0.785 0.020 . 1 . . . . 29 ILE HD1 . 6865 1
289 . 1 1 29 29 ILE CA C 13 60.251 0.200 . 1 . . . . 29 ILE CA . 6865 1
290 . 1 1 29 29 ILE CB C 13 38.236 0.200 . 1 . . . . 29 ILE CB . 6865 1
291 . 1 1 29 29 ILE CG1 C 13 24.994 0.200 . 1 . . . . 29 ILE CG1 . 6865 1
292 . 1 1 29 29 ILE CG2 C 13 18.196 0.200 . 1 . . . . 29 ILE CG2 . 6865 1
293 . 1 1 29 29 ILE CD1 C 13 12.424 0.200 . 1 . . . . 29 ILE CD1 . 6865 1
294 . 1 1 29 29 ILE N N 15 120.177 0.200 . 1 . . . . 29 ILE N . 6865 1
295 . 1 1 30 30 LEU H H 1 8.112 0.020 . 1 . . . . 30 LEU H . 6865 1
296 . 1 1 30 30 LEU HA H 1 4.125 0.020 . 1 . . . . 30 LEU HA . 6865 1
297 . 1 1 30 30 LEU HB2 H 1 1.476 0.020 . 2 . . . . 30 LEU HB2 . 6865 1
298 . 1 1 30 30 LEU HB3 H 1 1.302 0.020 . 2 . . . . 30 LEU HB3 . 6865 1
299 . 1 1 30 30 LEU HG H 1 1.298 0.020 . 1 . . . . 30 LEU HG . 6865 1
300 . 1 1 30 30 LEU HD11 H 1 0.656 0.020 . 2 . . . . 30 LEU HD1 . 6865 1
301 . 1 1 30 30 LEU HD12 H 1 0.656 0.020 . 2 . . . . 30 LEU HD1 . 6865 1
302 . 1 1 30 30 LEU HD13 H 1 0.656 0.020 . 2 . . . . 30 LEU HD1 . 6865 1
303 . 1 1 30 30 LEU HD21 H 1 0.623 0.020 . 2 . . . . 30 LEU HD2 . 6865 1
304 . 1 1 30 30 LEU HD22 H 1 0.623 0.020 . 2 . . . . 30 LEU HD2 . 6865 1
305 . 1 1 30 30 LEU HD23 H 1 0.623 0.020 . 2 . . . . 30 LEU HD2 . 6865 1
306 . 1 1 30 30 LEU CA C 13 54.186 0.200 . 1 . . . . 30 LEU CA . 6865 1
307 . 1 1 30 30 LEU CB C 13 41.454 0.200 . 1 . . . . 30 LEU CB . 6865 1
308 . 1 1 30 30 LEU CG C 13 25.552 0.200 . 1 . . . . 30 LEU CG . 6865 1
309 . 1 1 30 30 LEU CD1 C 13 23.505 0.200 . 1 . . . . 30 LEU CD1 . 6865 1
310 . 1 1 30 30 LEU CD2 C 13 21.090 0.200 . 1 . . . . 30 LEU CD2 . 6865 1
311 . 1 1 30 30 LEU N N 15 122.810 0.200 . 1 . . . . 30 LEU N . 6865 1
312 . 1 1 31 31 HIS H H 1 6.957 0.020 . 1 . . . . 31 HIS H . 6865 1
313 . 1 1 31 31 HIS HA H 1 4.599 0.020 . 1 . . . . 31 HIS HA . 6865 1
314 . 1 1 31 31 HIS HB2 H 1 3.248 0.020 . 2 . . . . 31 HIS HB2 . 6865 1
315 . 1 1 31 31 HIS HB3 H 1 3.028 0.020 . 2 . . . . 31 HIS HB3 . 6865 1
316 . 1 1 31 31 HIS HD2 H 1 7.009 0.020 . 1 . . . . 31 HIS HD2 . 6865 1
317 . 1 1 31 31 HIS HE1 H 1 8.331 0.020 . 1 . . . . 31 HIS HE1 . 6865 1
318 . 1 1 31 31 HIS CA C 13 53.027 0.200 . 1 . . . . 31 HIS CA . 6865 1
319 . 1 1 31 31 HIS CB C 13 29.991 0.200 . 1 . . . . 31 HIS CB . 6865 1
320 . 1 1 31 31 HIS CD2 C 13 119.981 0.200 . 1 . . . . 31 HIS CD2 . 6865 1
321 . 1 1 31 31 HIS CE1 C 13 136.032 0.200 . 1 . . . . 31 HIS CE1 . 6865 1
322 . 1 1 31 31 HIS N N 15 111.379 0.200 . 1 . . . . 31 HIS N . 6865 1
323 . 1 1 32 32 GLU H H 1 8.782 0.020 . 1 . . . . 32 GLU H . 6865 1
324 . 1 1 32 32 GLU HA H 1 4.026 0.020 . 1 . . . . 32 GLU HA . 6865 1
325 . 1 1 32 32 GLU HB2 H 1 1.939 0.020 . 1 . . . . 32 GLU HB2 . 6865 1
326 . 1 1 32 32 GLU HB3 H 1 1.939 0.020 . 1 . . . . 32 GLU HB3 . 6865 1
327 . 1 1 32 32 GLU HG2 H 1 2.222 0.020 . 1 . . . . 32 GLU HG2 . 6865 1
328 . 1 1 32 32 GLU HG3 H 1 2.222 0.020 . 1 . . . . 32 GLU HG3 . 6865 1
329 . 1 1 32 32 GLU CA C 13 56.706 0.200 . 1 . . . . 32 GLU CA . 6865 1
330 . 1 1 32 32 GLU CB C 13 28.391 0.200 . 1 . . . . 32 GLU CB . 6865 1
331 . 1 1 32 32 GLU CG C 13 34.690 0.200 . 1 . . . . 32 GLU CG . 6865 1
332 . 1 1 32 32 GLU N N 15 121.092 0.200 . 1 . . . . 32 GLU N . 6865 1
333 . 1 1 33 33 GLY H H 1 9.053 0.020 . 1 . . . . 33 GLY H . 6865 1
334 . 1 1 33 33 GLY HA2 H 1 4.269 0.020 . 2 . . . . 33 GLY HA2 . 6865 1
335 . 1 1 33 33 GLY HA3 H 1 3.640 0.020 . 2 . . . . 33 GLY HA3 . 6865 1
336 . 1 1 33 33 GLY CA C 13 43.951 0.200 . 1 . . . . 33 GLY CA . 6865 1
337 . 1 1 33 33 GLY N N 15 113.357 0.200 . 1 . . . . 33 GLY N . 6865 1
338 . 1 1 34 34 CYS N N 15 118.657 0.200 . 1 . . . . 34 CYSS N . 6865 1
339 . 1 1 34 34 CYS H H 1 7.254 0.020 . 1 . . . . 34 CYSS H . 6865 1
340 . 1 1 34 34 CYS CA C 13 54.069 0.200 . 1 . . . . 34 CYSS CA . 6865 1
341 . 1 1 34 34 CYS HA H 1 4.679 0.020 . 1 . . . . 34 CYSS HA . 6865 1
342 . 1 1 34 34 CYS CB C 13 39.680 0.200 . 1 . . . . 34 CYSS CB . 6865 1
343 . 1 1 34 34 CYS HB2 H 1 2.827 0.020 . 2 . . . . 34 CYSS HB2 . 6865 1
344 . 1 1 34 34 CYS HB3 H 1 2.724 0.020 . 2 . . . . 34 CYSS HB3 . 6865 1
345 . 1 1 35 35 THR H H 1 8.543 0.020 . 1 . . . . 35 THR H . 6865 1
346 . 1 1 35 35 THR HA H 1 4.286 0.020 . 1 . . . . 35 THR HA . 6865 1
347 . 1 1 35 35 THR HB H 1 4.322 0.020 . 1 . . . . 35 THR HB . 6865 1
348 . 1 1 35 35 THR HG21 H 1 1.393 0.020 . 1 . . . . 35 THR HG2 . 6865 1
349 . 1 1 35 35 THR HG22 H 1 1.393 0.020 . 1 . . . . 35 THR HG2 . 6865 1
350 . 1 1 35 35 THR HG23 H 1 1.393 0.020 . 1 . . . . 35 THR HG2 . 6865 1
351 . 1 1 35 35 THR CA C 13 61.015 0.200 . 1 . . . . 35 THR CA . 6865 1
352 . 1 1 35 35 THR CB C 13 68.696 0.200 . 1 . . . . 35 THR CB . 6865 1
353 . 1 1 35 35 THR CG2 C 13 22.050 0.200 . 1 . . . . 35 THR CG2 . 6865 1
354 . 1 1 35 35 THR N N 15 116.700 0.200 . 1 . . . . 35 THR N . 6865 1
355 . 1 1 36 36 SER H H 1 9.034 0.020 . 1 . . . . 36 SER H . 6865 1
356 . 1 1 36 36 SER HA H 1 4.307 0.020 . 1 . . . . 36 SER HA . 6865 1
357 . 1 1 36 36 SER HB2 H 1 4.258 0.020 . 2 . . . . 36 SER HB2 . 6865 1
358 . 1 1 36 36 SER HB3 H 1 3.615 0.020 . 2 . . . . 36 SER HB3 . 6865 1
359 . 1 1 36 36 SER CA C 13 57.365 0.200 . 1 . . . . 36 SER CA . 6865 1
360 . 1 1 36 36 SER CB C 13 64.128 0.200 . 1 . . . . 36 SER CB . 6865 1
361 . 1 1 36 36 SER N N 15 117.392 0.200 . 1 . . . . 36 SER N . 6865 1
362 . 1 1 37 37 GLU H H 1 7.554 0.020 . 1 . . . . 37 GLU H . 6865 1
363 . 1 1 37 37 GLU HA H 1 5.600 0.020 . 1 . . . . 37 GLU HA . 6865 1
364 . 1 1 37 37 GLU HB2 H 1 2.010 0.020 . 2 . . . . 37 GLU HB2 . 6865 1
365 . 1 1 37 37 GLU HB3 H 1 1.932 0.020 . 2 . . . . 37 GLU HB3 . 6865 1
366 . 1 1 37 37 GLU HG2 H 1 2.194 0.020 . 2 . . . . 37 GLU HG2 . 6865 1
367 . 1 1 37 37 GLU HG3 H 1 2.082 0.020 . 2 . . . . 37 GLU HG3 . 6865 1
368 . 1 1 37 37 GLU CA C 13 54.664 0.200 . 1 . . . . 37 GLU CA . 6865 1
369 . 1 1 37 37 GLU CB C 13 32.455 0.200 . 1 . . . . 37 GLU CB . 6865 1
370 . 1 1 37 37 GLU CG C 13 35.300 0.200 . 1 . . . . 37 GLU CG . 6865 1
371 . 1 1 37 37 GLU N N 15 120.780 0.200 . 1 . . . . 37 GLU N . 6865 1
372 . 1 1 38 38 ILE H H 1 8.444 0.020 . 1 . . . . 38 ILE H . 6865 1
373 . 1 1 38 38 ILE HA H 1 4.435 0.020 . 1 . . . . 38 ILE HA . 6865 1
374 . 1 1 38 38 ILE HB H 1 1.311 0.020 . 1 . . . . 38 ILE HB . 6865 1
375 . 1 1 38 38 ILE HG12 H 1 0.458 0.020 . 2 . . . . 38 ILE HG12 . 6865 1
376 . 1 1 38 38 ILE HG13 H 1 0.954 0.020 . 2 . . . . 38 ILE HG13 . 6865 1
377 . 1 1 38 38 ILE HG21 H 1 0.273 0.020 . 1 . . . . 38 ILE HG2 . 6865 1
378 . 1 1 38 38 ILE HG22 H 1 0.273 0.020 . 1 . . . . 38 ILE HG2 . 6865 1
379 . 1 1 38 38 ILE HG23 H 1 0.273 0.020 . 1 . . . . 38 ILE HG2 . 6865 1
380 . 1 1 38 38 ILE HD11 H 1 0.249 0.020 . 1 . . . . 38 ILE HD1 . 6865 1
381 . 1 1 38 38 ILE HD12 H 1 0.249 0.020 . 1 . . . . 38 ILE HD1 . 6865 1
382 . 1 1 38 38 ILE HD13 H 1 0.249 0.020 . 1 . . . . 38 ILE HD1 . 6865 1
383 . 1 1 38 38 ILE CA C 13 58.958 0.200 . 1 . . . . 38 ILE CA . 6865 1
384 . 1 1 38 38 ILE CB C 13 40.784 0.200 . 1 . . . . 38 ILE CB . 6865 1
385 . 1 1 38 38 ILE CG1 C 13 25.869 0.200 . 1 . . . . 38 ILE CG1 . 6865 1
386 . 1 1 38 38 ILE CG2 C 13 16.210 0.200 . 1 . . . . 38 ILE CG2 . 6865 1
387 . 1 1 38 38 ILE CD1 C 13 12.321 0.200 . 1 . . . . 38 ILE CD1 . 6865 1
388 . 1 1 38 38 ILE N N 15 122.548 0.200 . 1 . . . . 38 ILE N . 6865 1
389 . 1 1 39 39 GLN H H 1 8.279 0.020 . 1 . . . . 39 GLN H . 6865 1
390 . 1 1 39 39 GLN HA H 1 5.574 0.020 . 1 . . . . 39 GLN HA . 6865 1
391 . 1 1 39 39 GLN HB2 H 1 1.930 0.020 . 2 . . . . 39 GLN HB2 . 6865 1
392 . 1 1 39 39 GLN HB3 H 1 1.889 0.020 . 2 . . . . 39 GLN HB3 . 6865 1
393 . 1 1 39 39 GLN HG2 H 1 2.234 0.020 . 1 . . . . 39 GLN HG2 . 6865 1
394 . 1 1 39 39 GLN HG3 H 1 2.234 0.020 . 1 . . . . 39 GLN HG3 . 6865 1
395 . 1 1 39 39 GLN HE21 H 1 7.542 0.020 . 2 . . . . 39 GLN HE21 . 6865 1
396 . 1 1 39 39 GLN HE22 H 1 6.759 0.020 . 2 . . . . 39 GLN HE22 . 6865 1
397 . 1 1 39 39 GLN CA C 13 53.062 0.200 . 1 . . . . 39 GLN CA . 6865 1
398 . 1 1 39 39 GLN CB C 13 31.833 0.200 . 1 . . . . 39 GLN CB . 6865 1
399 . 1 1 39 39 GLN CG C 13 32.717 0.200 . 1 . . . . 39 GLN CG . 6865 1
400 . 1 1 39 39 GLN N N 15 121.821 0.200 . 1 . . . . 39 GLN N . 6865 1
401 . 1 1 39 39 GLN NE2 N 15 111.987 0.200 . 1 . . . . 39 GLN NE2 . 6865 1
402 . 1 1 40 40 GLU H H 1 8.904 0.020 . 1 . . . . 40 GLU H . 6865 1
403 . 1 1 40 40 GLU HA H 1 4.673 0.020 . 1 . . . . 40 GLU HA . 6865 1
404 . 1 1 40 40 GLU HB2 H 1 1.779 0.020 . 2 . . . . 40 GLU HB2 . 6865 1
405 . 1 1 40 40 GLU HB3 H 1 1.680 0.020 . 2 . . . . 40 GLU HB3 . 6865 1
406 . 1 1 40 40 GLU HG2 H 1 1.752 0.020 . 2 . . . . 40 GLU HG2 . 6865 1
407 . 1 1 40 40 GLU HG3 H 1 1.717 0.020 . 2 . . . . 40 GLU HG3 . 6865 1
408 . 1 1 40 40 GLU CA C 13 53.150 0.200 . 1 . . . . 40 GLU CA . 6865 1
409 . 1 1 40 40 GLU CB C 13 32.679 0.200 . 1 . . . . 40 GLU CB . 6865 1
410 . 1 1 40 40 GLU CG C 13 34.205 0.200 . 1 . . . . 40 GLU CG . 6865 1
411 . 1 1 40 40 GLU N N 15 120.021 0.200 . 1 . . . . 40 GLU N . 6865 1
412 . 1 1 41 41 GLN H H 1 8.431 0.020 . 1 . . . . 41 GLN H . 6865 1
413 . 1 1 41 41 GLN HA H 1 4.667 0.020 . 1 . . . . 41 GLN HA . 6865 1
414 . 1 1 41 41 GLN HB2 H 1 1.950 0.020 . 1 . . . . 41 GLN HB2 . 6865 1
415 . 1 1 41 41 GLN HB3 H 1 1.950 0.020 . 1 . . . . 41 GLN HB3 . 6865 1
416 . 1 1 41 41 GLN HG2 H 1 2.367 0.020 . 2 . . . . 41 GLN HG2 . 6865 1
417 . 1 1 41 41 GLN HG3 H 1 2.220 0.020 . 2 . . . . 41 GLN HG3 . 6865 1
418 . 1 1 41 41 GLN HE21 H 1 7.629 0.020 . 2 . . . . 41 GLN HE21 . 6865 1
419 . 1 1 41 41 GLN HE22 H 1 6.895 0.020 . 2 . . . . 41 GLN HE22 . 6865 1
420 . 1 1 41 41 GLN CA C 13 54.886 0.200 . 1 . . . . 41 GLN CA . 6865 1
421 . 1 1 41 41 GLN CB C 13 28.826 0.200 . 1 . . . . 41 GLN CB . 6865 1
422 . 1 1 41 41 GLN CG C 13 33.340 0.200 . 1 . . . . 41 GLN CG . 6865 1
423 . 1 1 41 41 GLN N N 15 119.572 0.200 . 1 . . . . 41 GLN N . 6865 1
424 . 1 1 41 41 GLN NE2 N 15 112.859 0.200 . 1 . . . . 41 GLN NE2 . 6865 1
425 . 1 1 42 42 CYS N N 15 119.057 0.200 . 1 . . . . 42 CYSS N . 6865 1
426 . 1 1 42 42 CYS H H 1 8.329 0.020 . 1 . . . . 42 CYSS H . 6865 1
427 . 1 1 42 42 CYS CA C 13 52.209 0.200 . 1 . . . . 42 CYSS CA . 6865 1
428 . 1 1 42 42 CYS HA H 1 4.663 0.020 . 1 . . . . 42 CYSS HA . 6865 1
429 . 1 1 42 42 CYS CB C 13 44.964 0.200 . 1 . . . . 42 CYSS CB . 6865 1
430 . 1 1 42 42 CYS HB2 H 1 3.147 0.020 . 2 . . . . 42 CYSS HB2 . 6865 1
431 . 1 1 42 42 CYS HB3 H 1 2.713 0.020 . 2 . . . . 42 CYSS HB3 . 6865 1
432 . 1 1 43 43 GLU H H 1 8.610 0.020 . 1 . . . . 43 GLU H . 6865 1
433 . 1 1 43 43 GLU HA H 1 4.701 0.020 . 1 . . . . 43 GLU HA . 6865 1
434 . 1 1 43 43 GLU HB2 H 1 1.699 0.020 . 2 . . . . 43 GLU HB2 . 6865 1
435 . 1 1 43 43 GLU HB3 H 1 1.668 0.020 . 2 . . . . 43 GLU HB3 . 6865 1
436 . 1 1 43 43 GLU HG2 H 1 1.918 0.020 . 2 . . . . 43 GLU HG2 . 6865 1
437 . 1 1 43 43 GLU HG3 H 1 1.816 0.020 . 2 . . . . 43 GLU HG3 . 6865 1
438 . 1 1 43 43 GLU CA C 13 54.435 0.200 . 1 . . . . 43 GLU CA . 6865 1
439 . 1 1 43 43 GLU CB C 13 31.026 0.200 . 1 . . . . 43 GLU CB . 6865 1
440 . 1 1 43 43 GLU CG C 13 34.867 0.200 . 1 . . . . 43 GLU CG . 6865 1
441 . 1 1 43 43 GLU N N 15 121.373 0.200 . 1 . . . . 43 GLU N . 6865 1
442 . 1 1 44 44 GLU H H 1 8.938 0.020 . 1 . . . . 44 GLU H . 6865 1
443 . 1 1 44 44 GLU HA H 1 4.380 0.020 . 1 . . . . 44 GLU HA . 6865 1
444 . 1 1 44 44 GLU HB2 H 1 2.090 0.020 . 2 . . . . 44 GLU HB2 . 6865 1
445 . 1 1 44 44 GLU HB3 H 1 1.367 0.020 . 2 . . . . 44 GLU HB3 . 6865 1
446 . 1 1 44 44 GLU HG2 H 1 2.222 0.020 . 2 . . . . 44 GLU HG2 . 6865 1
447 . 1 1 44 44 GLU HG3 H 1 1.968 0.020 . 2 . . . . 44 GLU HG3 . 6865 1
448 . 1 1 44 44 GLU CA C 13 53.815 0.200 . 1 . . . . 44 GLU CA . 6865 1
449 . 1 1 44 44 GLU CB C 13 30.489 0.200 . 1 . . . . 44 GLU CB . 6865 1
450 . 1 1 44 44 GLU CG C 13 34.517 0.200 . 1 . . . . 44 GLU CG . 6865 1
451 . 1 1 44 44 GLU N N 15 127.128 0.200 . 1 . . . . 44 GLU N . 6865 1
452 . 1 1 45 45 GLU H H 1 8.288 0.020 . 1 . . . . 45 GLU H . 6865 1
453 . 1 1 45 45 GLU HA H 1 4.240 0.020 . 1 . . . . 45 GLU HA . 6865 1
454 . 1 1 45 45 GLU HB2 H 1 2.046 0.020 . 2 . . . . 45 GLU HB2 . 6865 1
455 . 1 1 45 45 GLU HB3 H 1 1.950 0.020 . 2 . . . . 45 GLU HB3 . 6865 1
456 . 1 1 45 45 GLU HG2 H 1 2.260 0.020 . 2 . . . . 45 GLU HG2 . 6865 1
457 . 1 1 45 45 GLU HG3 H 1 2.196 0.020 . 2 . . . . 45 GLU HG3 . 6865 1
458 . 1 1 45 45 GLU CA C 13 54.785 0.200 . 1 . . . . 45 GLU CA . 6865 1
459 . 1 1 45 45 GLU CB C 13 29.583 0.200 . 1 . . . . 45 GLU CB . 6865 1
460 . 1 1 45 45 GLU CG C 13 34.354 0.200 . 1 . . . . 45 GLU CG . 6865 1
461 . 1 1 45 45 GLU N N 15 118.668 0.200 . 1 . . . . 45 GLU N . 6865 1
462 . 1 1 46 46 ARG H H 1 8.550 0.020 . 1 . . . . 46 ARG H . 6865 1
463 . 1 1 46 46 ARG HA H 1 4.107 0.020 . 1 . . . . 46 ARG HA . 6865 1
464 . 1 1 46 46 ARG HB2 H 1 1.745 0.020 . 1 . . . . 46 ARG HB2 . 6865 1
465 . 1 1 46 46 ARG HB3 H 1 1.745 0.020 . 1 . . . . 46 ARG HB3 . 6865 1
466 . 1 1 46 46 ARG HG2 H 1 1.652 0.020 . 2 . . . . 46 ARG HG2 . 6865 1
467 . 1 1 46 46 ARG HG3 H 1 1.601 0.020 . 2 . . . . 46 ARG HG3 . 6865 1
468 . 1 1 46 46 ARG HD2 H 1 3.113 0.020 . 1 . . . . 46 ARG HD2 . 6865 1
469 . 1 1 46 46 ARG HD3 H 1 3.113 0.020 . 1 . . . . 46 ARG HD3 . 6865 1
470 . 1 1 46 46 ARG HE H 1 7.144 0.020 . 1 . . . . 46 ARG HE . 6865 1
471 . 1 1 46 46 ARG CA C 13 55.527 0.200 . 1 . . . . 46 ARG CA . 6865 1
472 . 1 1 46 46 ARG CB C 13 28.904 0.200 . 1 . . . . 46 ARG CB . 6865 1
473 . 1 1 46 46 ARG CG C 13 25.790 0.200 . 1 . . . . 46 ARG CG . 6865 1
474 . 1 1 46 46 ARG CD C 13 42.431 0.200 . 1 . . . . 46 ARG CD . 6865 1
475 . 1 1 46 46 ARG N N 15 122.284 0.200 . 1 . . . . 46 ARG N . 6865 1
476 . 1 1 46 46 ARG NE N 15 111.769 0.200 . 1 . . . . 46 ARG NE . 6865 1
477 . 1 1 47 47 CYS N N 15 122.617 0.200 . 1 . . . . 47 CYSS N . 6865 1
478 . 1 1 47 47 CYS H H 1 8.855 0.020 . 1 . . . . 47 CYSS H . 6865 1
479 . 1 1 47 47 CYS CA C 13 52.195 0.200 . 1 . . . . 47 CYSS CA . 6865 1
480 . 1 1 47 47 CYS HA H 1 4.703 0.020 . 1 . . . . 47 CYSS HA . 6865 1
481 . 1 1 47 47 CYS CB C 13 39.000 0.200 . 1 . . . . 47 CYSS CB . 6865 1
482 . 1 1 47 47 CYS HB2 H 1 3.167 0.020 . 2 . . . . 47 CYSS HB2 . 6865 1
483 . 1 1 47 47 CYS HB3 H 1 2.623 0.020 . 2 . . . . 47 CYSS HB3 . 6865 1
484 . 1 1 48 48 PRO HA H 1 4.612 0.020 . 1 . . . . 48 PRO HA . 6865 1
485 . 1 1 48 48 PRO HB2 H 1 2.257 0.020 . 2 . . . . 48 PRO HB2 . 6865 1
486 . 1 1 48 48 PRO HB3 H 1 1.888 0.020 . 2 . . . . 48 PRO HB3 . 6865 1
487 . 1 1 48 48 PRO HG2 H 1 1.970 0.020 . 1 . . . . 48 PRO HG2 . 6865 1
488 . 1 1 48 48 PRO HG3 H 1 1.970 0.020 . 1 . . . . 48 PRO HG3 . 6865 1
489 . 1 1 48 48 PRO HD2 H 1 3.808 0.020 . 2 . . . . 48 PRO HD2 . 6865 1
490 . 1 1 48 48 PRO HD3 H 1 3.622 0.020 . 2 . . . . 48 PRO HD3 . 6865 1
491 . 1 1 48 48 PRO CA C 13 60.405 0.200 . 1 . . . . 48 PRO CA . 6865 1
492 . 1 1 48 48 PRO CB C 13 29.424 0.200 . 1 . . . . 48 PRO CB . 6865 1
493 . 1 1 48 48 PRO CG C 13 26.245 0.200 . 1 . . . . 48 PRO CG . 6865 1
494 . 1 1 48 48 PRO CD C 13 49.212 0.200 . 1 . . . . 48 PRO CD . 6865 1
495 . 1 1 49 49 PRO HA H 1 4.116 0.020 . 1 . . . . 49 PRO HA . 6865 1
496 . 1 1 49 49 PRO HB2 H 1 2.116 0.020 . 2 . . . . 49 PRO HB2 . 6865 1
497 . 1 1 49 49 PRO HB3 H 1 1.805 0.020 . 2 . . . . 49 PRO HB3 . 6865 1
498 . 1 1 49 49 PRO HG2 H 1 1.894 0.020 . 1 . . . . 49 PRO HG2 . 6865 1
499 . 1 1 49 49 PRO HG3 H 1 1.894 0.020 . 1 . . . . 49 PRO HG3 . 6865 1
500 . 1 1 49 49 PRO HD2 H 1 3.659 0.020 . 2 . . . . 49 PRO HD2 . 6865 1
501 . 1 1 49 49 PRO HD3 H 1 3.540 0.020 . 2 . . . . 49 PRO HD3 . 6865 1
502 . 1 1 49 49 PRO CA C 13 63.435 0.200 . 1 . . . . 49 PRO CA . 6865 1
503 . 1 1 49 49 PRO CB C 13 30.824 0.200 . 1 . . . . 49 PRO CB . 6865 1
504 . 1 1 49 49 PRO CG C 13 26.104 0.200 . 1 . . . . 49 PRO CG . 6865 1
505 . 1 1 49 49 PRO CD C 13 48.977 0.200 . 1 . . . . 49 PRO CD . 6865 1
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