###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30521
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '1D 1H' . . . 30521 1
2 '2D TOCSY' . . . 30521 1
3 '2D NOESY' . . . 30521 1
4 '2D 1H-15N HSQC' . . . 30521 1
5 '2D 1H-13C HSQC' . . . 30521 1
6 'E. COSY' . . . 30521 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 TYR HA H 1 4.398 0.002 . . . . . . A 1 TYR HA . 30521 1
2 . 1 1 1 1 TYR HB2 H 1 3.250 0.003 . . . . . . A 1 TYR HB2 . 30521 1
3 . 1 1 1 1 TYR HB3 H 1 3.292 0.001 . . . . . . A 1 TYR HB3 . 30521 1
4 . 1 1 1 1 TYR HD1 H 1 7.253 0.003 . . . . . . A 1 TYR HD1 . 30521 1
5 . 1 1 1 1 TYR HD2 H 1 7.253 0.003 . . . . . . A 1 TYR HD2 . 30521 1
6 . 1 1 1 1 TYR HE1 H 1 7.017 0.003 . . . . . . A 1 TYR HE1 . 30521 1
7 . 1 1 1 1 TYR HE2 H 1 7.017 0.003 . . . . . . A 1 TYR HE2 . 30521 1
8 . 1 1 1 1 TYR CA C 13 56.975 0.000 . . . . . . A 1 TYR CA . 30521 1
9 . 1 1 1 1 TYR CB C 13 38.611 0.000 . . . . . . A 1 TYR CB . 30521 1
10 . 1 1 2 2 CYS H H 1 8.176 0.005 . . . . . . A 2 CYS H . 30521 1
11 . 1 1 2 2 CYS HA H 1 5.104 0.002 . . . . . . A 2 CYS HA . 30521 1
12 . 1 1 2 2 CYS HB2 H 1 2.962 0.001 . . . . . . A 2 CYS HB2 . 30521 1
13 . 1 1 2 2 CYS HB3 H 1 3.206 0.001 . . . . . . A 2 CYS HB3 . 30521 1
14 . 1 1 2 2 CYS CA C 13 53.896 0.000 . . . . . . A 2 CYS CA . 30521 1
15 . 1 1 2 2 CYS CB C 13 43.300 0.000 . . . . . . A 2 CYS CB . 30521 1
16 . 1 1 2 2 CYS N N 15 117.718 0.000 . . . . . . A 2 CYS N . 30521 1
17 . 1 1 3 3 GLN H H 1 9.208 0.002 . . . . . . A 3 GLN H . 30521 1
18 . 1 1 3 3 GLN HA H 1 4.521 0.004 . . . . . . A 3 GLN HA . 30521 1
19 . 1 1 3 3 GLN HB2 H 1 2.197 0.003 . . . . . . A 3 GLN HB2 . 30521 1
20 . 1 1 3 3 GLN HB3 H 1 2.361 0.003 . . . . . . A 3 GLN HB3 . 30521 1
21 . 1 1 3 3 GLN HG2 H 1 2.778 0.004 . . . . . . A 3 GLN HG2 . 30521 1
22 . 1 1 3 3 GLN HG3 H 1 2.089 0.001 . . . . . . A 3 GLN HG3 . 30521 1
23 . 1 1 3 3 GLN HE21 H 1 8.818 0.002 . . . . . . A 3 GLN HE21 . 30521 1
24 . 1 1 3 3 GLN HE22 H 1 7.286 0.003 . . . . . . A 3 GLN HE22 . 30521 1
25 . 1 1 3 3 GLN CA C 13 55.525 0.000 . . . . . . A 3 GLN CA . 30521 1
26 . 1 1 3 3 GLN CB C 13 31.871 0.000 . . . . . . A 3 GLN CB . 30521 1
27 . 1 1 3 3 GLN CG C 13 34.348 0.000 . . . . . . A 3 GLN CG . 30521 1
28 . 1 1 3 3 GLN N N 15 117.649 0.000 . . . . . . A 3 GLN N . 30521 1
29 . 1 1 4 4 LYS H H 1 5.270 0.002 . . . . . . A 4 LYS H . 30521 1
30 . 1 1 4 4 LYS HA H 1 3.716 0.005 . . . . . . A 4 LYS HA . 30521 1
31 . 1 1 4 4 LYS HB2 H 1 1.443 0.003 . . . . . . A 4 LYS HB2 . 30521 1
32 . 1 1 4 4 LYS HB3 H 1 -0.442 0.002 . . . . . . A 4 LYS HB3 . 30521 1
33 . 1 1 4 4 LYS HG2 H 1 0.412 0.003 . . . . . . A 4 LYS HG2 . 30521 1
34 . 1 1 4 4 LYS HG3 H 1 0.693 0.003 . . . . . . A 4 LYS HG3 . 30521 1
35 . 1 1 4 4 LYS HE2 H 1 2.834 0.000 . . . . . . A 4 LYS HE2 . 30521 1
36 . 1 1 4 4 LYS HE3 H 1 2.834 0.000 . . . . . . A 4 LYS HE3 . 30521 1
37 . 1 1 4 4 LYS CA C 13 55.411 0.000 . . . . . . A 4 LYS CA . 30521 1
38 . 1 1 4 4 LYS CB C 13 32.914 0.000 . . . . . . A 4 LYS CB . 30521 1
39 . 1 1 4 4 LYS CG C 13 25.611 0.000 . . . . . . A 4 LYS CG . 30521 1
40 . 1 1 4 4 LYS CE C 13 41.836 0.000 . . . . . . A 4 LYS CE . 30521 1
41 . 1 1 5 5 TRP H H 1 7.942 0.003 . . . . . . A 5 TRP H . 30521 1
42 . 1 1 5 5 TRP HA H 1 4.344 0.003 . . . . . . A 5 TRP HA . 30521 1
43 . 1 1 5 5 TRP HB2 H 1 3.129 0.007 . . . . . . A 5 TRP HB2 . 30521 1
44 . 1 1 5 5 TRP HB3 H 1 3.129 0.007 . . . . . . A 5 TRP HB3 . 30521 1
45 . 1 1 5 5 TRP HD1 H 1 7.483 0.003 . . . . . . A 5 TRP HD1 . 30521 1
46 . 1 1 5 5 TRP HE1 H 1 10.776 0.001 . . . . . . A 5 TRP HE1 . 30521 1
47 . 1 1 5 5 TRP HE3 H 1 7.590 0.000 . . . . . . A 5 TRP HE3 . 30521 1
48 . 1 1 5 5 TRP HZ2 H 1 7.556 0.004 . . . . . . A 5 TRP HZ2 . 30521 1
49 . 1 1 5 5 TRP HZ3 H 1 7.179 0.003 . . . . . . A 5 TRP HZ3 . 30521 1
50 . 1 1 5 5 TRP HH2 H 1 7.286 0.001 . . . . . . A 5 TRP HH2 . 30521 1
51 . 1 1 5 5 TRP CA C 13 59.436 0.000 . . . . . . A 5 TRP CA . 30521 1
52 . 1 1 5 5 TRP CB C 13 28.687 0.000 . . . . . . A 5 TRP CB . 30521 1
53 . 1 1 5 5 TRP N N 15 118.815 0.000 . . . . . . A 5 TRP N . 30521 1
54 . 1 1 6 6 MET H H 1 9.159 0.001 . . . . . . A 6 MET H . 30521 1
55 . 1 1 6 6 MET HA H 1 3.942 0.002 . . . . . . A 6 MET HA . 30521 1
56 . 1 1 6 6 MET HB2 H 1 0.619 0.004 . . . . . . A 6 MET HB2 . 30521 1
57 . 1 1 6 6 MET HB3 H 1 1.392 0.004 . . . . . . A 6 MET HB3 . 30521 1
58 . 1 1 6 6 MET HG2 H 1 1.771 0.004 . . . . . . A 6 MET HG2 . 30521 1
59 . 1 1 6 6 MET HG3 H 1 1.977 0.004 . . . . . . A 6 MET HG3 . 30521 1
60 . 1 1 6 6 MET CA C 13 56.810 0.000 . . . . . . A 6 MET CA . 30521 1
61 . 1 1 6 6 MET CB C 13 30.708 0.000 . . . . . . A 6 MET CB . 30521 1
62 . 1 1 6 6 MET CG C 13 27.416 0.000 . . . . . . A 6 MET CG . 30521 1
63 . 1 1 6 6 MET N N 15 118.218 0.000 . . . . . . A 6 MET N . 30521 1
64 . 1 1 7 7 TRP H H 1 8.689 0.004 . . . . . . A 7 TRP H . 30521 1
65 . 1 1 7 7 TRP HA H 1 5.074 0.002 . . . . . . A 7 TRP HA . 30521 1
66 . 1 1 7 7 TRP HB2 H 1 3.474 0.003 . . . . . . A 7 TRP HB2 . 30521 1
67 . 1 1 7 7 TRP HB3 H 1 3.635 0.005 . . . . . . A 7 TRP HB3 . 30521 1
68 . 1 1 7 7 TRP HD1 H 1 7.131 0.003 . . . . . . A 7 TRP HD1 . 30521 1
69 . 1 1 7 7 TRP HE1 H 1 10.258 0.001 . . . . . . A 7 TRP HE1 . 30521 1
70 . 1 1 7 7 TRP HE3 H 1 7.764 0.001 . . . . . . A 7 TRP HE3 . 30521 1
71 . 1 1 7 7 TRP HZ2 H 1 7.635 0.003 . . . . . . A 7 TRP HZ2 . 30521 1
72 . 1 1 7 7 TRP HZ3 H 1 7.370 0.000 . . . . . . A 7 TRP HZ3 . 30521 1
73 . 1 1 7 7 TRP HH2 H 1 7.369 0.000 . . . . . . A 7 TRP HH2 . 30521 1
74 . 1 1 7 7 TRP CA C 13 56.042 0.000 . . . . . . A 7 TRP CA . 30521 1
75 . 1 1 7 7 TRP CB C 13 29.800 0.000 . . . . . . A 7 TRP CB . 30521 1
76 . 1 1 7 7 TRP N N 15 122.122 0.000 . . . . . . A 7 TRP N . 30521 1
77 . 1 1 8 8 THR H H 1 8.556 0.003 . . . . . . A 8 THR H . 30521 1
78 . 1 1 8 8 THR HA H 1 4.579 0.004 . . . . . . A 8 THR HA . 30521 1
79 . 1 1 8 8 THR HB H 1 4.318 0.002 . . . . . . A 8 THR HB . 30521 1
80 . 1 1 8 8 THR HG21 H 1 1.316 0.001 . . . . . . A 8 THR HG21 . 30521 1
81 . 1 1 8 8 THR HG22 H 1 1.316 0.001 . . . . . . A 8 THR HG22 . 30521 1
82 . 1 1 8 8 THR HG23 H 1 1.316 0.001 . . . . . . A 8 THR HG23 . 30521 1
83 . 1 1 8 8 THR CA C 13 62.952 0.000 . . . . . . A 8 THR CA . 30521 1
84 . 1 1 8 8 THR CB C 13 69.951 0.000 . . . . . . A 8 THR CB . 30521 1
85 . 1 1 8 8 THR CG2 C 13 22.095 0.000 . . . . . . A 8 THR CG2 . 30521 1
86 . 1 1 8 8 THR N N 15 112.824 0.000 . . . . . . A 8 THR N . 30521 1
87 . 1 1 9 9 CYS H H 1 7.853 0.004 . . . . . . A 9 CYS H . 30521 1
88 . 1 1 9 9 CYS HA H 1 5.203 0.003 . . . . . . A 9 CYS HA . 30521 1
89 . 1 1 9 9 CYS HB2 H 1 3.342 0.005 . . . . . . A 9 CYS HB2 . 30521 1
90 . 1 1 9 9 CYS HB3 H 1 3.441 0.004 . . . . . . A 9 CYS HB3 . 30521 1
91 . 1 1 9 9 CYS CA C 13 53.819 0.000 . . . . . . A 9 CYS CA . 30521 1
92 . 1 1 9 9 CYS CB C 13 48.347 0.000 . . . . . . A 9 CYS CB . 30521 1
93 . 1 1 9 9 CYS N N 15 116.212 0.000 . . . . . . A 9 CYS N . 30521 1
94 . 1 1 10 10 ASP H H 1 8.763 0.002 . . . . . . A 10 ASP H . 30521 1
95 . 1 1 10 10 ASP HA H 1 4.445 0.002 . . . . . . A 10 ASP HA . 30521 1
96 . 1 1 10 10 ASP HB2 H 1 3.234 0.004 . . . . . . A 10 ASP HB2 . 30521 1
97 . 1 1 10 10 ASP HB3 H 1 3.234 0.004 . . . . . . A 10 ASP HB3 . 30521 1
98 . 1 1 10 10 ASP CA C 13 53.979 0.000 . . . . . . A 10 ASP CA . 30521 1
99 . 1 1 10 10 ASP CB C 13 39.765 0.000 . . . . . . A 10 ASP CB . 30521 1
100 . 1 1 10 10 ASP N N 15 118.625 0.000 . . . . . . A 10 ASP N . 30521 1
101 . 1 1 11 11 SER H H 1 8.457 0.002 . . . . . . A 11 SER H . 30521 1
102 . 1 1 11 11 SER HA H 1 4.127 0.005 . . . . . . A 11 SER HA . 30521 1
103 . 1 1 11 11 SER HB2 H 1 3.947 0.003 . . . . . . A 11 SER HB2 . 30521 1
104 . 1 1 11 11 SER HB3 H 1 3.947 0.003 . . . . . . A 11 SER HB3 . 30521 1
105 . 1 1 11 11 SER CA C 13 61.794 0.000 . . . . . . A 11 SER CA . 30521 1
106 . 1 1 11 11 SER CB C 13 62.759 0.000 . . . . . . A 11 SER CB . 30521 1
107 . 1 1 11 11 SER N N 15 112.498 0.000 . . . . . . A 11 SER N . 30521 1
108 . 1 1 12 12 GLU H H 1 8.209 0.004 . . . . . . A 12 GLU H . 30521 1
109 . 1 1 12 12 GLU HA H 1 4.493 0.001 . . . . . . A 12 GLU HA . 30521 1
110 . 1 1 12 12 GLU HB2 H 1 2.065 0.002 . . . . . . A 12 GLU HB2 . 30521 1
111 . 1 1 12 12 GLU HB3 H 1 2.173 0.003 . . . . . . A 12 GLU HB3 . 30521 1
112 . 1 1 12 12 GLU HG2 H 1 2.434 0.003 . . . . . . A 12 GLU HG2 . 30521 1
113 . 1 1 12 12 GLU HG3 H 1 2.434 0.003 . . . . . . A 12 GLU HG3 . 30521 1
114 . 1 1 12 12 GLU CA C 13 56.684 0.000 . . . . . . A 12 GLU CA . 30521 1
115 . 1 1 12 12 GLU CB C 13 29.601 0.000 . . . . . . A 12 GLU CB . 30521 1
116 . 1 1 12 12 GLU CG C 13 33.516 0.000 . . . . . . A 12 GLU CG . 30521 1
117 . 1 1 12 12 GLU N N 15 118.069 0.000 . . . . . . A 12 GLU N . 30521 1
118 . 1 1 13 13 ARG H H 1 8.191 0.003 . . . . . . A 13 ARG H . 30521 1
119 . 1 1 13 13 ARG HA H 1 4.561 0.003 . . . . . . A 13 ARG HA . 30521 1
120 . 1 1 13 13 ARG HB2 H 1 1.446 0.004 . . . . . . A 13 ARG HB2 . 30521 1
121 . 1 1 13 13 ARG HB3 H 1 1.819 0.004 . . . . . . A 13 ARG HB3 . 30521 1
122 . 1 1 13 13 ARG HG2 H 1 1.635 0.003 . . . . . . A 13 ARG HG2 . 30521 1
123 . 1 1 13 13 ARG HG3 H 1 1.635 0.003 . . . . . . A 13 ARG HG3 . 30521 1
124 . 1 1 13 13 ARG HD2 H 1 3.088 0.001 . . . . . . A 13 ARG HD2 . 30521 1
125 . 1 1 13 13 ARG HD3 H 1 3.227 0.003 . . . . . . A 13 ARG HD3 . 30521 1
126 . 1 1 13 13 ARG HE H 1 7.048 0.003 . . . . . . A 13 ARG HE . 30521 1
127 . 1 1 13 13 ARG CA C 13 54.845 0.000 . . . . . . A 13 ARG CA . 30521 1
128 . 1 1 13 13 ARG CB C 13 29.531 0.000 . . . . . . A 13 ARG CB . 30521 1
129 . 1 1 13 13 ARG CG C 13 26.902 0.000 . . . . . . A 13 ARG CG . 30521 1
130 . 1 1 13 13 ARG CD C 13 43.751 0.000 . . . . . . A 13 ARG CD . 30521 1
131 . 1 1 13 13 ARG N N 15 124.627 0.000 . . . . . . A 13 ARG N . 30521 1
132 . 1 1 14 14 LYS H H 1 8.001 0.004 . . . . . . A 14 LYS H . 30521 1
133 . 1 1 14 14 LYS HA H 1 4.419 0.003 . . . . . . A 14 LYS HA . 30521 1
134 . 1 1 14 14 LYS HB2 H 1 1.764 0.001 . . . . . . A 14 LYS HB2 . 30521 1
135 . 1 1 14 14 LYS HB3 H 1 1.937 0.003 . . . . . . A 14 LYS HB3 . 30521 1
136 . 1 1 14 14 LYS HG2 H 1 1.474 0.002 . . . . . . A 14 LYS HG2 . 30521 1
137 . 1 1 14 14 LYS HG3 H 1 1.474 0.002 . . . . . . A 14 LYS HG3 . 30521 1
138 . 1 1 14 14 LYS HE2 H 1 3.092 0.000 . . . . . . A 14 LYS HE2 . 30521 1
139 . 1 1 14 14 LYS HE3 H 1 3.092 0.000 . . . . . . A 14 LYS HE3 . 30521 1
140 . 1 1 14 14 LYS CA C 13 55.989 0.000 . . . . . . A 14 LYS CA . 30521 1
141 . 1 1 14 14 LYS CB C 13 33.848 0.000 . . . . . . A 14 LYS CB . 30521 1
142 . 1 1 14 14 LYS CG C 13 25.213 0.000 . . . . . . A 14 LYS CG . 30521 1
143 . 1 1 14 14 LYS CE C 13 42.082 0.000 . . . . . . A 14 LYS CE . 30521 1
144 . 1 1 14 14 LYS N N 15 121.262 0.000 . . . . . . A 14 LYS N . 30521 1
145 . 1 1 15 15 CYS H H 1 9.199 0.003 . . . . . . A 15 CYS H . 30521 1
146 . 1 1 15 15 CYS HA H 1 4.936 0.004 . . . . . . A 15 CYS HA . 30521 1
147 . 1 1 15 15 CYS HB2 H 1 2.535 0.003 . . . . . . A 15 CYS HB2 . 30521 1
148 . 1 1 15 15 CYS HB3 H 1 3.011 0.004 . . . . . . A 15 CYS HB3 . 30521 1
149 . 1 1 15 15 CYS CA C 13 55.903 0.000 . . . . . . A 15 CYS CA . 30521 1
150 . 1 1 15 15 CYS CB C 13 40.719 0.000 . . . . . . A 15 CYS CB . 30521 1
151 . 1 1 15 15 CYS N N 15 119.628 0.000 . . . . . . A 15 CYS N . 30521 1
152 . 1 1 16 16 CYS H H 1 9.119 0.003 . . . . . . A 16 CYS H . 30521 1
153 . 1 1 16 16 CYS HA H 1 4.539 0.002 . . . . . . A 16 CYS HA . 30521 1
154 . 1 1 16 16 CYS HB2 H 1 2.387 0.002 . . . . . . A 16 CYS HB2 . 30521 1
155 . 1 1 16 16 CYS HB3 H 1 3.362 0.004 . . . . . . A 16 CYS HB3 . 30521 1
156 . 1 1 16 16 CYS CA C 13 54.218 0.000 . . . . . . A 16 CYS CA . 30521 1
157 . 1 1 16 16 CYS CB C 13 40.030 0.000 . . . . . . A 16 CYS CB . 30521 1
158 . 1 1 16 16 CYS N N 15 121.227 0.000 . . . . . . A 16 CYS N . 30521 1
159 . 1 1 17 17 LYS H H 1 8.143 0.004 . . . . . . A 17 LYS H . 30521 1
160 . 1 1 17 17 LYS HA H 1 4.063 0.001 . . . . . . A 17 LYS HA . 30521 1
161 . 1 1 17 17 LYS HB2 H 1 1.735 0.003 . . . . . . A 17 LYS HB2 . 30521 1
162 . 1 1 17 17 LYS HB3 H 1 1.835 0.004 . . . . . . A 17 LYS HB3 . 30521 1
163 . 1 1 17 17 LYS HG2 H 1 1.409 0.004 . . . . . . A 17 LYS HG2 . 30521 1
164 . 1 1 17 17 LYS HG3 H 1 1.481 0.005 . . . . . . A 17 LYS HG3 . 30521 1
165 . 1 1 17 17 LYS HE2 H 1 2.988 0.003 . . . . . . A 17 LYS HE2 . 30521 1
166 . 1 1 17 17 LYS HE3 H 1 2.988 0.003 . . . . . . A 17 LYS HE3 . 30521 1
167 . 1 1 17 17 LYS HZ1 H 1 7.541 0.001 . . . . . . A 17 LYS HZ1 . 30521 1
168 . 1 1 17 17 LYS HZ2 H 1 7.541 0.001 . . . . . . A 17 LYS HZ2 . 30521 1
169 . 1 1 17 17 LYS HZ3 H 1 7.541 0.001 . . . . . . A 17 LYS HZ3 . 30521 1
170 . 1 1 17 17 LYS CA C 13 58.232 0.000 . . . . . . A 17 LYS CA . 30521 1
171 . 1 1 17 17 LYS CB C 13 32.719 0.000 . . . . . . A 17 LYS CB . 30521 1
172 . 1 1 17 17 LYS CG C 13 24.676 0.000 . . . . . . A 17 LYS CG . 30521 1
173 . 1 1 17 17 LYS CE C 13 41.839 0.000 . . . . . . A 17 LYS CE . 30521 1
174 . 1 1 17 17 LYS N N 15 119.010 0.000 . . . . . . A 17 LYS N . 30521 1
175 . 1 1 18 18 GLY H H 1 8.890 0.002 . . . . . . A 18 GLY H . 30521 1
176 . 1 1 18 18 GLY HA2 H 1 4.321 0.002 . . . . . . A 18 GLY HA2 . 30521 1
177 . 1 1 18 18 GLY HA3 H 1 3.670 0.003 . . . . . . A 18 GLY HA3 . 30521 1
178 . 1 1 18 18 GLY CA C 13 44.712 0.000 . . . . . . A 18 GLY CA . 30521 1
179 . 1 1 18 18 GLY N N 15 112.011 0.000 . . . . . . A 18 GLY N . 30521 1
180 . 1 1 19 19 MET H H 1 7.524 0.003 . . . . . . A 19 MET H . 30521 1
181 . 1 1 19 19 MET HA H 1 5.105 0.004 . . . . . . A 19 MET HA . 30521 1
182 . 1 1 19 19 MET HB2 H 1 1.933 0.004 . . . . . . A 19 MET HB2 . 30521 1
183 . 1 1 19 19 MET HB3 H 1 2.158 0.006 . . . . . . A 19 MET HB3 . 30521 1
184 . 1 1 19 19 MET HG2 H 1 2.359 0.003 . . . . . . A 19 MET HG2 . 30521 1
185 . 1 1 19 19 MET HG3 H 1 2.167 0.006 . . . . . . A 19 MET HG3 . 30521 1
186 . 1 1 19 19 MET CA C 13 54.511 0.000 . . . . . . A 19 MET CA . 30521 1
187 . 1 1 19 19 MET CB C 13 37.752 0.000 . . . . . . A 19 MET CB . 30521 1
188 . 1 1 19 19 MET CG C 13 33.141 0.000 . . . . . . A 19 MET CG . 30521 1
189 . 1 1 19 19 MET N N 15 118.063 0.000 . . . . . . A 19 MET N . 30521 1
190 . 1 1 20 20 VAL H H 1 9.100 0.002 . . . . . . A 20 VAL H . 30521 1
191 . 1 1 20 20 VAL HA H 1 4.498 0.001 . . . . . . A 20 VAL HA . 30521 1
192 . 1 1 20 20 VAL HB H 1 1.929 0.002 . . . . . . A 20 VAL HB . 30521 1
193 . 1 1 20 20 VAL HG21 H 1 0.840 0.006 . . . . . . A 20 VAL HG21 . 30521 1
194 . 1 1 20 20 VAL HG22 H 1 0.840 0.006 . . . . . . A 20 VAL HG22 . 30521 1
195 . 1 1 20 20 VAL HG23 H 1 0.840 0.006 . . . . . . A 20 VAL HG23 . 30521 1
196 . 1 1 20 20 VAL CA C 13 59.322 0.000 . . . . . . A 20 VAL CA . 30521 1
197 . 1 1 20 20 VAL CB C 13 35.095 0.000 . . . . . . A 20 VAL CB . 30521 1
198 . 1 1 20 20 VAL CG2 C 13 24.929 0.000 . . . . . . A 20 VAL CG2 . 30521 1
199 . 1 1 20 20 VAL N N 15 116.809 0.000 . . . . . . A 20 VAL N . 30521 1
200 . 1 1 21 21 CYS H H 1 8.947 0.002 . . . . . . A 21 CYS H . 30521 1
201 . 1 1 21 21 CYS HA H 1 4.818 0.004 . . . . . . A 21 CYS HA . 30521 1
202 . 1 1 21 21 CYS HB2 H 1 2.845 0.008 . . . . . . A 21 CYS HB2 . 30521 1
203 . 1 1 21 21 CYS HB3 H 1 3.341 0.002 . . . . . . A 21 CYS HB3 . 30521 1
204 . 1 1 21 21 CYS CA C 13 55.357 0.000 . . . . . . A 21 CYS CA . 30521 1
205 . 1 1 21 21 CYS CB C 13 39.988 0.000 . . . . . . A 21 CYS CB . 30521 1
206 . 1 1 21 21 CYS N N 15 122.745 0.000 . . . . . . A 21 CYS N . 30521 1
207 . 1 1 22 22 ARG H H 1 8.248 0.003 . . . . . . A 22 ARG H . 30521 1
208 . 1 1 22 22 ARG HA H 1 4.520 0.002 . . . . . . A 22 ARG HA . 30521 1
209 . 1 1 22 22 ARG HB2 H 1 1.585 0.005 . . . . . . A 22 ARG HB2 . 30521 1
210 . 1 1 22 22 ARG HB3 H 1 1.727 0.005 . . . . . . A 22 ARG HB3 . 30521 1
211 . 1 1 22 22 ARG HG2 H 1 1.471 0.003 . . . . . . A 22 ARG HG2 . 30521 1
212 . 1 1 22 22 ARG HG3 H 1 1.471 0.003 . . . . . . A 22 ARG HG3 . 30521 1
213 . 1 1 22 22 ARG HD2 H 1 3.126 0.003 . . . . . . A 22 ARG HD2 . 30521 1
214 . 1 1 22 22 ARG HD3 H 1 3.268 0.002 . . . . . . A 22 ARG HD3 . 30521 1
215 . 1 1 22 22 ARG HE H 1 7.247 0.003 . . . . . . A 22 ARG HE . 30521 1
216 . 1 1 22 22 ARG CA C 13 54.815 0.000 . . . . . . A 22 ARG CA . 30521 1
217 . 1 1 22 22 ARG CB C 13 30.086 0.000 . . . . . . A 22 ARG CB . 30521 1
218 . 1 1 22 22 ARG CG C 13 26.878 0.000 . . . . . . A 22 ARG CG . 30521 1
219 . 1 1 22 22 ARG CD C 13 43.173 0.000 . . . . . . A 22 ARG CD . 30521 1
220 . 1 1 22 22 ARG N N 15 119.040 0.000 . . . . . . A 22 ARG N . 30521 1
221 . 1 1 23 23 LEU H H 1 8.144 0.003 . . . . . . A 23 LEU H . 30521 1
222 . 1 1 23 23 LEU HA H 1 3.732 0.002 . . . . . . A 23 LEU HA . 30521 1
223 . 1 1 23 23 LEU HB2 H 1 1.044 0.003 . . . . . . A 23 LEU HB2 . 30521 1
224 . 1 1 23 23 LEU HB3 H 1 2.174 0.005 . . . . . . A 23 LEU HB3 . 30521 1
225 . 1 1 23 23 LEU HG H 1 1.406 0.005 . . . . . . A 23 LEU HG . 30521 1
226 . 1 1 23 23 LEU HD11 H 1 0.843 0.002 . . . . . . A 23 LEU HD11 . 30521 1
227 . 1 1 23 23 LEU HD12 H 1 0.843 0.002 . . . . . . A 23 LEU HD12 . 30521 1
228 . 1 1 23 23 LEU HD13 H 1 0.843 0.002 . . . . . . A 23 LEU HD13 . 30521 1
229 . 1 1 23 23 LEU HD21 H 1 0.804 0.003 . . . . . . A 23 LEU HD21 . 30521 1
230 . 1 1 23 23 LEU HD22 H 1 0.804 0.003 . . . . . . A 23 LEU HD22 . 30521 1
231 . 1 1 23 23 LEU HD23 H 1 0.804 0.003 . . . . . . A 23 LEU HD23 . 30521 1
232 . 1 1 23 23 LEU CA C 13 61.608 0.000 . . . . . . A 23 LEU CA . 30521 1
233 . 1 1 23 23 LEU CB C 13 40.264 0.000 . . . . . . A 23 LEU CB . 30521 1
234 . 1 1 23 23 LEU CG C 13 27.573 0.000 . . . . . . A 23 LEU CG . 30521 1
235 . 1 1 23 23 LEU CD1 C 13 24.964 0.000 . . . . . . A 23 LEU CD1 . 30521 1
236 . 1 1 23 23 LEU CD2 C 13 22.817 0.000 . . . . . . A 23 LEU CD2 . 30521 1
237 . 1 1 23 23 LEU N N 15 124.099 0.000 . . . . . . A 23 LEU N . 30521 1
238 . 1 1 24 24 TRP H H 1 8.130 0.005 . . . . . . A 24 TRP H . 30521 1
239 . 1 1 24 24 TRP HA H 1 5.327 0.004 . . . . . . A 24 TRP HA . 30521 1
240 . 1 1 24 24 TRP HB2 H 1 3.016 0.004 . . . . . . A 24 TRP HB2 . 30521 1
241 . 1 1 24 24 TRP HB3 H 1 2.714 0.003 . . . . . . A 24 TRP HB3 . 30521 1
242 . 1 1 24 24 TRP HD1 H 1 7.065 0.002 . . . . . . A 24 TRP HD1 . 30521 1
243 . 1 1 24 24 TRP HE1 H 1 10.258 0.000 . . . . . . A 24 TRP HE1 . 30521 1
244 . 1 1 24 24 TRP HE3 H 1 7.520 0.003 . . . . . . A 24 TRP HE3 . 30521 1
245 . 1 1 24 24 TRP HZ2 H 1 7.462 0.005 . . . . . . A 24 TRP HZ2 . 30521 1
246 . 1 1 24 24 TRP HZ3 H 1 7.179 0.002 . . . . . . A 24 TRP HZ3 . 30521 1
247 . 1 1 24 24 TRP HH2 H 1 7.236 0.000 . . . . . . A 24 TRP HH2 . 30521 1
248 . 1 1 24 24 TRP CA C 13 56.524 0.000 . . . . . . A 24 TRP CA . 30521 1
249 . 1 1 24 24 TRP CB C 13 32.323 0.000 . . . . . . A 24 TRP CB . 30521 1
250 . 1 1 24 24 TRP N N 15 116.531 0.000 . . . . . . A 24 TRP N . 30521 1
251 . 1 1 25 25 CYS H H 1 8.673 0.001 . . . . . . A 25 CYS H . 30521 1
252 . 1 1 25 25 CYS HA H 1 4.909 0.005 . . . . . . A 25 CYS HA . 30521 1
253 . 1 1 25 25 CYS HB2 H 1 3.175 0.004 . . . . . . A 25 CYS HB2 . 30521 1
254 . 1 1 25 25 CYS HB3 H 1 3.391 0.003 . . . . . . A 25 CYS HB3 . 30521 1
255 . 1 1 25 25 CYS CA C 13 56.594 0.000 . . . . . . A 25 CYS CA . 30521 1
256 . 1 1 25 25 CYS CB C 13 40.165 0.000 . . . . . . A 25 CYS CB . 30521 1
257 . 1 1 25 25 CYS N N 15 118.788 0.000 . . . . . . A 25 CYS N . 30521 1
258 . 1 1 26 26 LYS H H 1 9.326 0.002 . . . . . . A 26 LYS H . 30521 1
259 . 1 1 26 26 LYS HA H 1 4.984 0.003 . . . . . . A 26 LYS HA . 30521 1
260 . 1 1 26 26 LYS HB2 H 1 2.056 0.002 . . . . . . A 26 LYS HB2 . 30521 1
261 . 1 1 26 26 LYS HB3 H 1 1.732 0.004 . . . . . . A 26 LYS HB3 . 30521 1
262 . 1 1 26 26 LYS HG2 H 1 1.595 0.001 . . . . . . A 26 LYS HG2 . 30521 1
263 . 1 1 26 26 LYS HG3 H 1 1.481 0.003 . . . . . . A 26 LYS HG3 . 30521 1
264 . 1 1 26 26 LYS HE2 H 1 2.827 0.002 . . . . . . A 26 LYS HE2 . 30521 1
265 . 1 1 26 26 LYS HE3 H 1 2.827 0.002 . . . . . . A 26 LYS HE3 . 30521 1
266 . 1 1 26 26 LYS HZ1 H 1 7.622 0.002 . . . . . . A 26 LYS HZ1 . 30521 1
267 . 1 1 26 26 LYS HZ2 H 1 7.622 0.002 . . . . . . A 26 LYS HZ2 . 30521 1
268 . 1 1 26 26 LYS HZ3 H 1 7.622 0.002 . . . . . . A 26 LYS HZ3 . 30521 1
269 . 1 1 26 26 LYS CA C 13 55.108 0.000 . . . . . . A 26 LYS CA . 30521 1
270 . 1 1 26 26 LYS CB C 13 35.898 0.000 . . . . . . A 26 LYS CB . 30521 1
271 . 1 1 26 26 LYS CG C 13 25.165 0.000 . . . . . . A 26 LYS CG . 30521 1
272 . 1 1 26 26 LYS CE C 13 41.828 0.000 . . . . . . A 26 LYS CE . 30521 1
273 . 1 1 26 26 LYS N N 15 124.995 0.000 . . . . . . A 26 LYS N . 30521 1
274 . 1 1 27 27 LYS H H 1 8.536 0.003 . . . . . . A 27 LYS H . 30521 1
275 . 1 1 27 27 LYS HA H 1 4.316 0.002 . . . . . . A 27 LYS HA . 30521 1
276 . 1 1 27 27 LYS HB2 H 1 1.622 0.002 . . . . . . A 27 LYS HB2 . 30521 1
277 . 1 1 27 27 LYS HB3 H 1 1.761 0.004 . . . . . . A 27 LYS HB3 . 30521 1
278 . 1 1 27 27 LYS HG2 H 1 1.151 0.002 . . . . . . A 27 LYS HG2 . 30521 1
279 . 1 1 27 27 LYS HG3 H 1 1.203 0.002 . . . . . . A 27 LYS HG3 . 30521 1
280 . 1 1 27 27 LYS HE2 H 1 2.003 0.014 . . . . . . A 27 LYS HE2 . 30521 1
281 . 1 1 27 27 LYS HE3 H 1 2.334 0.007 . . . . . . A 27 LYS HE3 . 30521 1
282 . 1 1 27 27 LYS HZ1 H 1 7.072 0.003 . . . . . . A 27 LYS HZ1 . 30521 1
283 . 1 1 27 27 LYS HZ2 H 1 7.072 0.003 . . . . . . A 27 LYS HZ2 . 30521 1
284 . 1 1 27 27 LYS HZ3 H 1 7.072 0.003 . . . . . . A 27 LYS HZ3 . 30521 1
285 . 1 1 27 27 LYS CA C 13 57.328 0.000 . . . . . . A 27 LYS CA . 30521 1
286 . 1 1 27 27 LYS CB C 13 33.339 0.000 . . . . . . A 27 LYS CB . 30521 1
287 . 1 1 27 27 LYS CG C 13 25.717 0.000 . . . . . . A 27 LYS CG . 30521 1
288 . 1 1 27 27 LYS CE C 13 41.335 0.000 . . . . . . A 27 LYS CE . 30521 1
289 . 1 1 27 27 LYS N N 15 119.872 0.000 . . . . . . A 27 LYS N . 30521 1
290 . 1 1 28 28 LYS H H 1 8.102 0.004 . . . . . . A 28 LYS H . 30521 1
291 . 1 1 28 28 LYS HA H 1 4.126 0.004 . . . . . . A 28 LYS HA . 30521 1
292 . 1 1 28 28 LYS HB2 H 1 1.480 0.002 . . . . . . A 28 LYS HB2 . 30521 1
293 . 1 1 28 28 LYS HB3 H 1 1.667 0.003 . . . . . . A 28 LYS HB3 . 30521 1
294 . 1 1 28 28 LYS HG2 H 1 1.121 0.003 . . . . . . A 28 LYS HG2 . 30521 1
295 . 1 1 28 28 LYS HG3 H 1 1.121 0.003 . . . . . . A 28 LYS HG3 . 30521 1
296 . 1 1 28 28 LYS HE2 H 1 2.724 0.006 . . . . . . A 28 LYS HE2 . 30521 1
297 . 1 1 28 28 LYS HE3 H 1 2.724 0.006 . . . . . . A 28 LYS HE3 . 30521 1
298 . 1 1 28 28 LYS HZ1 H 1 7.435 0.003 . . . . . . A 28 LYS HZ1 . 30521 1
299 . 1 1 28 28 LYS HZ2 H 1 7.435 0.003 . . . . . . A 28 LYS HZ2 . 30521 1
300 . 1 1 28 28 LYS HZ3 H 1 7.435 0.003 . . . . . . A 28 LYS HZ3 . 30521 1
301 . 1 1 28 28 LYS CA C 13 56.269 0.000 . . . . . . A 28 LYS CA . 30521 1
302 . 1 1 28 28 LYS CB C 13 33.517 0.000 . . . . . . A 28 LYS CB . 30521 1
303 . 1 1 28 28 LYS CG C 13 24.789 0.000 . . . . . . A 28 LYS CG . 30521 1
304 . 1 1 28 28 LYS CE C 13 41.641 0.000 . . . . . . A 28 LYS CE . 30521 1
305 . 1 1 28 28 LYS N N 15 122.046 0.000 . . . . . . A 28 LYS N . 30521 1
306 . 1 1 29 29 LEU H H 1 8.148 0.006 . . . . . . A 29 LEU H . 30521 1
307 . 1 1 29 29 LEU HA H 1 4.277 0.002 . . . . . . A 29 LEU HA . 30521 1
308 . 1 1 29 29 LEU HB2 H 1 1.478 0.004 . . . . . . A 29 LEU HB2 . 30521 1
309 . 1 1 29 29 LEU HB3 H 1 1.478 0.004 . . . . . . A 29 LEU HB3 . 30521 1
310 . 1 1 29 29 LEU HD11 H 1 0.884 0.001 . . . . . . A 29 LEU HD11 . 30521 1
311 . 1 1 29 29 LEU HD12 H 1 0.884 0.001 . . . . . . A 29 LEU HD12 . 30521 1
312 . 1 1 29 29 LEU HD13 H 1 0.884 0.001 . . . . . . A 29 LEU HD13 . 30521 1
313 . 1 1 29 29 LEU HD21 H 1 0.794 0.001 . . . . . . A 29 LEU HD21 . 30521 1
314 . 1 1 29 29 LEU HD22 H 1 0.794 0.001 . . . . . . A 29 LEU HD22 . 30521 1
315 . 1 1 29 29 LEU HD23 H 1 0.794 0.001 . . . . . . A 29 LEU HD23 . 30521 1
316 . 1 1 29 29 LEU CA C 13 55.170 0.000 . . . . . . A 29 LEU CA . 30521 1
317 . 1 1 29 29 LEU CB C 13 42.436 0.000 . . . . . . A 29 LEU CB . 30521 1
318 . 1 1 29 29 LEU CD1 C 13 24.916 0.000 . . . . . . A 29 LEU CD1 . 30521 1
319 . 1 1 29 29 LEU CD2 C 13 23.307 0.000 . . . . . . A 29 LEU CD2 . 30521 1
320 . 1 1 29 29 LEU N N 15 124.785 0.000 . . . . . . A 29 LEU N . 30521 1
321 . 1 1 30 30 TRP H H 1 7.569 0.007 . . . . . . A 30 TRP H . 30521 1
322 . 1 1 30 30 TRP HA H 1 4.548 0.009 . . . . . . A 30 TRP HA . 30521 1
323 . 1 1 30 30 TRP HB2 H 1 3.237 0.002 . . . . . . A 30 TRP HB2 . 30521 1
324 . 1 1 30 30 TRP HB3 H 1 3.367 0.003 . . . . . . A 30 TRP HB3 . 30521 1
325 . 1 1 30 30 TRP HD1 H 1 7.212 0.004 . . . . . . A 30 TRP HD1 . 30521 1
326 . 1 1 30 30 TRP HE1 H 1 10.130 0.002 . . . . . . A 30 TRP HE1 . 30521 1
327 . 1 1 30 30 TRP HE3 H 1 7.664 0.005 . . . . . . A 30 TRP HE3 . 30521 1
328 . 1 1 30 30 TRP HZ2 H 1 7.492 0.002 . . . . . . A 30 TRP HZ2 . 30521 1
329 . 1 1 30 30 TRP HZ3 H 1 7.177 0.000 . . . . . . A 30 TRP HZ3 . 30521 1
330 . 1 1 30 30 TRP HH2 H 1 7.235 0.000 . . . . . . A 30 TRP HH2 . 30521 1
331 . 1 1 30 30 TRP CA C 13 57.680 0.000 . . . . . . A 30 TRP CA . 30521 1
332 . 1 1 30 30 TRP CB C 13 29.788 0.000 . . . . . . A 30 TRP CB . 30521 1
333 . 1 1 30 30 TRP N N 15 123.911 0.000 . . . . . . A 30 TRP N . 30521 1
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