###################################
# 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 31030
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 '2D 1H-1H COSY' . . . 31030 1
2 '2D 1H-1H TOCSY' . . . 31030 1
3 '2D 1H-1H NOESY' . . . 31030 1
4 '2D 1H-1H NOESY' . . . 31030 1
5 '2D 1H-13C HSQC aliphatic' . . . 31030 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 BVK H1 H 1 8.237 0.003 . 1 . . 150 . A 1 BVK H1 . 31030 1
2 . 1 . 1 1 1 BVK H2 H 1 8.237 0.003 . 1 . . 150 . A 1 BVK H2 . 31030 1
3 . 1 . 1 1 1 BVK H3 H 1 8.237 0.003 . 1 . . 150 . A 1 BVK H3 . 31030 1
4 . 1 . 1 1 1 BVK H4 H 1 7.348 0.006 . 1 . . 159 . A 1 BVK H4 . 31030 1
5 . 1 . 1 1 1 BVK H5 H 1 7.383 0.006 . 1 . . 161 . A 1 BVK H5 . 31030 1
6 . 1 . 1 1 1 BVK H6 H 1 7.383 0.006 . 1 . . 161 . A 1 BVK H6 . 31030 1
7 . 1 . 1 1 1 BVK H7 H 1 7.348 0.006 . 1 . . 159 . A 1 BVK H7 . 31030 1
8 . 1 . 1 1 1 BVK H8 H 1 3.188 0.005 . 2 . . 147 . A 1 BVK H8 . 31030 1
9 . 1 . 1 1 1 BVK H9 H 1 2.887 0.006 . 2 . . 149 . A 1 BVK H9 . 31030 1
10 . 1 . 1 1 1 BVK H11 H 1 3.691 0.01 . 1 . . 175 . A 1 BVK H11 . 31030 1
11 . 1 . 1 1 1 BVK C2 C 13 132.616 . . 1 . . 160 . A 1 BVK C2 . 31030 1
12 . 1 . 1 1 1 BVK C3 C 13 131.901 . . 1 . . 162 . A 1 BVK C3 . 31030 1
13 . 1 . 1 1 1 BVK C5 C 13 131.901 . . 1 . . 162 . A 1 BVK C5 . 31030 1
14 . 1 . 1 1 1 BVK C6 C 13 132.616 . . 1 . . 160 . A 1 BVK C6 . 31030 1
15 . 1 . 1 1 1 BVK CA C 13 44.265 0.031 . 1 . . 174 . A 1 BVK CA . 31030 1
16 . 1 . 1 2 2 SER H H 1 8.455 0.005 . 1 . . 50 . A 2 SER H . 31030 1
17 . 1 . 1 2 2 SER HA H 1 4.464 0.017 . 1 . . 48 . A 2 SER HA . 31030 1
18 . 1 . 1 2 2 SER HB2 H 1 3.906 0.024 . 2 . . 47 . A 2 SER HB2 . 31030 1
19 . 1 . 1 2 2 SER HB3 H 1 3.955 0.017 . 2 . . 45 . A 2 SER HB3 . 31030 1
20 . 1 . 1 2 2 SER CA C 13 58.501 . . 1 . . 49 . A 2 SER CA . 31030 1
21 . 1 . 1 2 2 SER CB C 13 63.958 0.006 . 1 . . 46 . A 2 SER CB . 31030 1
22 . 1 . 1 3 3 LEU H H 1 7.773 0.009 . 1 . . 37 . A 3 LEU H . 31030 1
23 . 1 . 1 3 3 LEU HA H 1 3.792 0.013 . 1 . . 43 . A 3 LEU HA . 31030 1
24 . 1 . 1 3 3 LEU HB2 H 1 1.564 0.017 . 2 . . 200 . A 3 LEU HB2 . 31030 1
25 . 1 . 1 3 3 LEU HB3 H 1 1.168 0.001 . 2 . . 298 . A 3 LEU HB2 . 31030 1
26 . 1 . 1 3 3 LEU HG H 1 1.814 0.003 . 1 . . 39 . A 3 LEU HG . 31030 1
27 . 1 . 1 3 3 LEU HD11 H 1 0.834 0.005 . 2 . . 33 . A 3 LEU HD11 . 31030 1
28 . 1 . 1 3 3 LEU HD12 H 1 0.834 0.005 . 2 . . 33 . A 3 LEU HD12 . 31030 1
29 . 1 . 1 3 3 LEU HD13 H 1 0.834 0.005 . 2 . . 33 . A 3 LEU HD13 . 31030 1
30 . 1 . 1 3 3 LEU HD21 H 1 0.834 0.007 . 2 . . 35 . A 3 LEU HD21 . 31030 1
31 . 1 . 1 3 3 LEU HD22 H 1 0.834 0.007 . 2 . . 35 . A 3 LEU HD22 . 31030 1
32 . 1 . 1 3 3 LEU HD23 H 1 0.834 0.007 . 2 . . 35 . A 3 LEU HD23 . 31030 1
33 . 1 . 1 3 3 LEU CA C 13 64.519 . . 1 . . 44 . A 3 LEU CA . 31030 1
34 . 1 . 1 3 3 LEU CB C 13 41.909 0.03 . 1 . . 201 . A 3 LEU CB . 31030 1
35 . 1 . 1 3 3 LEU CG C 13 29.293 . . 1 . . 194 . A 3 LEU CG . 31030 1
36 . 1 . 1 3 3 LEU CD1 C 13 22.234 . . 2 . . 34 . A 3 LEU CD1 . 31030 1
37 . 1 . 1 3 3 LEU CD2 C 13 17.530 . . 2 . . 36 . A 3 LEU CD2 . 31030 1
38 . 1 . 1 4 4 GLU H H 1 8.291 0.004 . 1 . . 116 . A 4 GLU H . 31030 1
39 . 1 . 1 4 4 GLU HA H 1 3.879 0.009 . 1 . . 114 . A 4 GLU HA . 31030 1
40 . 1 . 1 4 4 GLU HB2 H 1 1.619 0.004 . 2 . . 119 . A 4 GLU HB2 . 31030 1
41 . 1 . 1 4 4 GLU HB3 H 1 1.619 0.004 . 2 . . 117 . A 4 GLU HB3 . 31030 1
42 . 1 . 1 4 4 GLU HG2 H 1 2.153 0.005 . 1 . . 113 . A 4 GLU HG2 . 31030 1
43 . 1 . 1 4 4 GLU HG3 H 1 2.153 0.005 . 1 . . 111 . A 4 GLU HG3 . 31030 1
44 . 1 . 1 4 4 GLU CA C 13 59.544 . . 1 . . 115 . A 4 GLU CA . 31030 1
45 . 1 . 1 4 4 GLU CB C 13 29.248 . . 1 . . 118 . A 4 GLU CB . 31030 1
46 . 1 . 1 4 4 GLU CG C 13 37.079 . . 1 . . 112 . A 4 GLU CG . 31030 1
47 . 1 . 1 5 5 GLN H H 1 7.387 0.004 . 1 . . 100 . A 5 GLN H . 31030 1
48 . 1 . 1 5 5 GLN HA H 1 4.073 0.01 . 1 . . 98 . A 5 GLN HA . 31030 1
49 . 1 . 1 5 5 GLN HB2 H 1 1.337 0.005 . 2 . . 106 . A 5 GLN HB2 . 31030 1
50 . 1 . 1 5 5 GLN HB3 H 1 1.495 0.02 . 2 . . 105 . A 5 GLN HB3 . 31030 1
51 . 1 . 1 5 5 GLN HG2 H 1 1.855 0.012 . 2 . . 103 . A 5 GLN HG2 . 31030 1
52 . 1 . 1 5 5 GLN HG3 H 1 1.902 0.013 . 2 . . 101 . A 5 GLN HG3 . 31030 1
53 . 1 . 1 5 5 GLN HE21 H 1 7.483 0.016 . 1 . . 256 . A 5 GLN HE21 . 31030 1
54 . 1 . 1 5 5 GLN HE22 H 1 6.835 0.011 . 1 . . 257 . A 5 GLN HE22 . 31030 1
55 . 1 . 1 5 5 GLN CA C 13 58.694 . . 1 . . 99 . A 5 GLN CA . 31030 1
56 . 1 . 1 5 5 GLN CB C 13 24.923 0.021 . 1 . . 104 . A 5 GLN CB . 31030 1
57 . 1 . 1 5 5 GLN CG C 13 32.788 0.003 . 1 . . 102 . A 5 GLN CG . 31030 1
58 . 1 . 1 6 6 GLU H H 1 8.101 0.007 . 1 . . 89 . A 6 GLU H . 31030 1
59 . 1 . 1 6 6 GLU HA H 1 4.203 0.012 . 1 . . 96 . A 6 GLU HA . 31030 1
60 . 1 . 1 6 6 GLU HB2 H 1 1.983 0.013 . 1 . . 95 . A 6 GLU HB2 . 31030 1
61 . 1 . 1 6 6 GLU HB3 H 1 1.983 0.013 . 1 . . 93 . A 6 GLU HB3 . 31030 1
62 . 1 . 1 6 6 GLU HG2 H 1 2.310 0.011 . 2 . . 92 . A 6 GLU HG2 . 31030 1
63 . 1 . 1 6 6 GLU HG3 H 1 2.310 0.011 . 2 . . 90 . A 6 GLU HG3 . 31030 1
64 . 1 . 1 6 6 GLU CA C 13 57.107 . . 1 . . 97 . A 6 GLU CA . 31030 1
65 . 1 . 1 6 6 GLU CB C 13 29.325 . . 1 . . 94 . A 6 GLU CB . 31030 1
66 . 1 . 1 6 6 GLU CG C 13 34.171 . . 1 . . 91 . A 6 GLU CG . 31030 1
67 . 1 . 1 7 7 TRP H H 1 8.279 0.006 . 1 . . 57 . A 7 TRP H . 31030 1
68 . 1 . 1 7 7 TRP HA H 1 4.472 0.009 . 1 . . 65 . A 7 TRP HA . 31030 1
69 . 1 . 1 7 7 TRP HB2 H 1 3.247 0.006 . 2 . . 62 . A 7 TRP HB2 . 31030 1
70 . 1 . 1 7 7 TRP HB3 H 1 3.362 0.01 . 2 . . 60 . A 7 TRP HB3 . 31030 1
71 . 1 . 1 7 7 TRP HD1 H 1 7.188 0.005 . 1 . . 59 . A 7 TRP HD1 . 31030 1
72 . 1 . 1 7 7 TRP HE1 H 1 9.967 0.001 . 1 . . 58 . A 7 TRP HE1 . 31030 1
73 . 1 . 1 7 7 TRP HE3 H 1 7.130 0.006 . 1 . . 87 . A 7 TRP HE3 . 31030 1
74 . 1 . 1 7 7 TRP HZ2 H 1 7.417 0.006 . 1 . . 80 . A 7 TRP HZ2 . 31030 1
75 . 1 . 1 7 7 TRP HZ3 H 1 7.614 0.01 . 1 . . 82 . A 7 TRP HZ3 . 31030 1
76 . 1 . 1 7 7 TRP HH2 H 1 7.135 0.003 . 1 . . 81 . A 7 TRP HH2 . 31030 1
77 . 1 . 1 7 7 TRP CA C 13 59.279 . . 1 . . 64 . A 7 TRP CA . 31030 1
78 . 1 . 1 7 7 TRP CB C 13 29.283 0.041 . 1 . . 61 . A 7 TRP CB . 31030 1
79 . 1 . 1 7 7 TRP CD1 C 13 126.987 . . 1 . . 86 . A 7 TRP CD1 . 31030 1
80 . 1 . 1 7 7 TRP CE3 C 13 124.386 . . 1 . . 88 . A 7 TRP CE3 . 31030 1
81 . 1 . 1 7 7 TRP CZ2 C 13 114.521 . . 1 . . 84 . A 7 TRP CZ2 . 31030 1
82 . 1 . 1 7 7 TRP CZ3 C 13 121.267 . . 1 . . 83 . A 7 TRP CZ3 . 31030 1
83 . 1 . 1 7 7 TRP CH2 C 13 121.916 . . 1 . . 85 . A 7 TRP CH2 . 31030 1
84 . 1 . 1 8 8 AIB H H 1 8.099 0.004 . 1 . . 254 . A 8 AIB H . 31030 1
85 . 1 . 1 8 8 AIB CB1 C 13 28.287 . . 1 . . 154 . A 8 AIB CB1 . 31030 1
86 . 1 . 1 8 8 AIB CB2 C 13 25.648 . . 1 . . 152 . A 8 AIB CB2 . 31030 1
87 . 1 . 1 8 8 AIB HB11 H 1 1.433 0.008 . 2 . . 153 . A 8 AIB HB11 . 31030 1
88 . 1 . 1 8 8 AIB HB21 H 1 1.337 0.005 . 2 . . 151 . A 8 AIB HB21 . 31030 1
89 . 1 . 1 9 9 LYS H H 1 8.377 0.009 . 1 . . 218 . A 9 LYS H . 31030 1
90 . 1 . 1 9 9 LYS HA H 1 4.110 0.014 . 1 . . 184 . A 9 LYS HA . 31030 1
91 . 1 . 1 9 9 LYS HB2 H 1 1.796 0.013 . 1 . . 229 . A 9 LYS HB2 . 31030 1
92 . 1 . 1 9 9 LYS HB3 H 1 1.796 0.013 . 1 . . 227 . A 9 LYS HB3 . 31030 1
93 . 1 . 1 9 9 LYS HG2 H 1 2.238 0.002 . 2 . . 189 . A 9 LYS HG2 . 31030 1
94 . 1 . 1 9 9 LYS HG3 H 1 2.231 0.004 . 2 . . 187 . A 9 LYS HG3 . 31030 1
95 . 1 . 1 9 9 LYS HD2 H 1 1.912 0.005 . 2 . . 192 . A 9 LYS HD2 . 31030 1
96 . 1 . 1 9 9 LYS HD3 H 1 2.238 0.001 . 2 . . 190 . A 9 LYS HD3 . 31030 1
97 . 1 . 1 9 9 LYS HE2 H 1 2.972 . . 1 . . 226 . A 9 LYS HE2 . 31030 1
98 . 1 . 1 9 9 LYS HE3 H 1 2.972 . . 1 . . 224 . A 9 LYS HE3 . 31030 1
99 . 1 . 1 9 9 LYS CA C 13 58.298 . . 1 . . 185 . A 9 LYS CA . 31030 1
100 . 1 . 1 9 9 LYS CB C 13 33.193 . . 1 . . 228 . A 9 LYS CB . 31030 1
101 . 1 . 1 9 9 LYS CG C 13 36.458 . . 1 . . 188 . A 9 LYS CG . 31030 1
102 . 1 . 1 9 9 LYS CD C 13 29.565 0.012 . 1 . . 191 . A 9 LYS CD . 31030 1
103 . 1 . 1 9 9 LYS CE C 13 42.157 . . 1 . . 225 . A 9 LYS CE . 31030 1
104 . 1 . 1 10 10 ILE H H 1 8.381 0.004 . 1 . . 12 . A 10 ILE H . 31030 1
105 . 1 . 1 10 10 ILE HA H 1 3.787 0.003 . 1 . . 10 . A 10 ILE HA . 31030 1
106 . 1 . 1 10 10 ILE HB H 1 1.738 0.003 . 1 . . 8 . A 10 ILE HB . 31030 1
107 . 1 . 1 10 10 ILE HG12 H 1 1.168 0.003 . 2 . . 199 . A 10 ILE HG12 . 31030 1
108 . 1 . 1 10 10 ILE HG13 H 1 1.557 0.004 . 2 . . 197 . A 10 ILE HG13 . 31030 1
109 . 1 . 1 10 10 ILE HG21 H 1 0.263 0.005 . 1 . . 3 . A 10 ILE HG21 . 31030 1
110 . 1 . 1 10 10 ILE HG22 H 1 0.263 0.005 . 1 . . 3 . A 10 ILE HG22 . 31030 1
111 . 1 . 1 10 10 ILE HG23 H 1 0.263 0.005 . 1 . . 3 . A 10 ILE HG23 . 31030 1
112 . 1 . 1 10 10 ILE HD11 H 1 0.838 0.004 . 1 . . 1 . A 10 ILE HD11 . 31030 1
113 . 1 . 1 10 10 ILE HD12 H 1 0.838 0.004 . 1 . . 1 . A 10 ILE HD12 . 31030 1
114 . 1 . 1 10 10 ILE HD13 H 1 0.838 0.004 . 1 . . 1 . A 10 ILE HD13 . 31030 1
115 . 1 . 1 10 10 ILE CA C 13 63.737 . . 1 . . 11 . A 10 ILE CA . 31030 1
116 . 1 . 1 10 10 ILE CB C 13 32.130 . . 1 . . 9 . A 10 ILE CB . 31030 1
117 . 1 . 1 10 10 ILE CG1 C 13 28.338 0.005 . 1 . . 198 . A 10 ILE CG1 . 31030 1
118 . 1 . 1 10 10 ILE CG2 C 13 20.485 . . 1 . . 4 . A 10 ILE CG2 . 31030 1
119 . 1 . 1 10 10 ILE CD1 C 13 13.023 . . 1 . . 2 . A 10 ILE CD1 . 31030 1
120 . 1 . 1 11 11 GLU H H 1 8.727 0.003 . 1 . . 22 . A 11 GLU H . 31030 1
121 . 1 . 1 11 11 GLU HA H 1 3.943 0.006 . 1 . . 14 . A 11 GLU HA . 31030 1
122 . 1 . 1 11 11 GLU HB2 H 1 1.996 0.013 . 1 . . 18 . A 11 GLU HB2 . 31030 1
123 . 1 . 1 11 11 GLU HB3 H 1 1.996 0.013 . 1 . . 16 . A 11 GLU HB3 . 31030 1
124 . 1 . 1 11 11 GLU HG2 H 1 2.191 0.019 . 2 . . 21 . A 11 GLU HG2 . 31030 1
125 . 1 . 1 11 11 GLU HG3 H 1 2.341 0.008 . 2 . . 19 . A 11 GLU HG3 . 31030 1
126 . 1 . 1 11 11 GLU CA C 13 59.449 . . 1 . . 15 . A 11 GLU CA . 31030 1
127 . 1 . 1 11 11 GLU CB C 13 29.758 . . 1 . . 17 . A 11 GLU CB . 31030 1
128 . 1 . 1 11 11 GLU CG C 13 36.578 0.001 . 1 . . 20 . A 11 GLU CG . 31030 1
129 . 1 . 1 12 12 CYS H H 1 7.572 0.007 . 1 . . 72 . A 12 CYS H . 31030 1
130 . 1 . 1 12 12 CYS HA H 1 4.435 0.007 . 1 . . 70 . A 12 CYS HA . 31030 1
131 . 1 . 1 12 12 CYS HB2 H 1 3.372 0.003 . 2 . . 69 . A 12 CYS HB2 . 31030 1
132 . 1 . 1 12 12 CYS HB3 H 1 2.956 0.005 . 2 . . 67 . A 12 CYS HB3 . 31030 1
133 . 1 . 1 12 12 CYS CA C 13 57.054 . . 1 . . 71 . A 12 CYS CA . 31030 1
134 . 1 . 1 12 12 CYS CB C 13 39.310 0.012 . 1 . . 68 . A 12 CYS CB . 31030 1
135 . 1 . 1 13 13 GLU H H 1 8.287 0.007 . 1 . . 230 . A 13 GLU H . 31030 1
136 . 1 . 1 13 13 GLU HA H 1 4.208 0.008 . 1 . . 232 . A 13 GLU HA . 31030 1
137 . 1 . 1 13 13 GLU HB2 H 1 2.043 0.01 . 1 . . 238 . A 13 GLU HB2 . 31030 1
138 . 1 . 1 13 13 GLU HB3 H 1 2.043 0.01 . 1 . . 236 . A 13 GLU HB3 . 31030 1
139 . 1 . 1 13 13 GLU HG2 H 1 2.235 0.003 . 1 . . 235 . A 13 GLU HG2 . 31030 1
140 . 1 . 1 13 13 GLU HG3 H 1 2.235 0.003 . 1 . . 233 . A 13 GLU HG3 . 31030 1
141 . 1 . 1 13 13 GLU CA C 13 57.866 . . 1 . . 231 . A 13 GLU CA . 31030 1
142 . 1 . 1 13 13 GLU CB C 13 29.804 . . 1 . . 237 . A 13 GLU CB . 31030 1
143 . 1 . 1 13 13 GLU CG C 13 36.458 . . 1 . . 234 . A 13 GLU CG . 31030 1
144 . 1 . 1 14 14 VAL H H 1 8.451 0.004 . 1 . . 31 . A 14 VAL H . 31030 1
145 . 1 . 1 14 14 VAL HA H 1 4.225 0.006 . 1 . . 29 . A 14 VAL HA . 31030 1
146 . 1 . 1 14 14 VAL HB H 1 1.578 0.011 . 1 . . 27 . A 14 VAL HB . 31030 1
147 . 1 . 1 14 14 VAL HG11 H 1 0.887 0.003 . 2 . . 23 . A 14 VAL HG11 . 31030 1
148 . 1 . 1 14 14 VAL HG12 H 1 0.887 0.003 . 2 . . 23 . A 14 VAL HG12 . 31030 1
149 . 1 . 1 14 14 VAL HG13 H 1 0.887 0.003 . 2 . . 23 . A 14 VAL HG13 . 31030 1
150 . 1 . 1 14 14 VAL HG21 H 1 0.821 0.011 . 2 . . 25 . A 14 VAL HG21 . 31030 1
151 . 1 . 1 14 14 VAL HG22 H 1 0.821 0.011 . 2 . . 25 . A 14 VAL HG22 . 31030 1
152 . 1 . 1 14 14 VAL HG23 H 1 0.821 0.011 . 2 . . 25 . A 14 VAL HG23 . 31030 1
153 . 1 . 1 14 14 VAL CA C 13 56.444 . . 1 . . 30 . A 14 VAL CA . 31030 1
154 . 1 . 1 14 14 VAL CB C 13 27.039 . . 1 . . 28 . A 14 VAL CB . 31030 1
155 . 1 . 1 14 14 VAL CG1 C 13 24.921 . . 2 . . 24 . A 14 VAL CG1 . 31030 1
156 . 1 . 1 14 14 VAL CG2 C 13 23.511 . . 2 . . 26 . A 14 VAL CG2 . 31030 1
157 . 1 . 1 15 15 TYR H H 1 7.108 0.018 . 1 . . 183 . A 15 TYR H . 31030 1
158 . 1 . 1 15 15 TYR HA H 1 4.625 0.012 . 1 . . 180 . A 15 TYR HA . 31030 1
159 . 1 . 1 15 15 TYR HB2 H 1 3.100 0.002 . 2 . . 179 . A 15 TYR HB2 . 31030 1
160 . 1 . 1 15 15 TYR HB3 H 1 3.333 0.004 . 2 . . 177 . A 15 TYR HB3 . 31030 1
161 . 1 . 1 15 15 TYR HD1 H 1 7.127 0.004 . 1 . . 155 . A 15 TYR HD1 . 31030 1
162 . 1 . 1 15 15 TYR HD2 H 1 7.127 0.004 . 1 . . 155 . A 15 TYR HD2 . 31030 1
163 . 1 . 1 15 15 TYR HE1 H 1 6.822 0.002 . 1 . . 157 . A 15 TYR HE1 . 31030 1
164 . 1 . 1 15 15 TYR HE2 H 1 6.822 0.002 . 1 . . 157 . A 15 TYR HE2 . 31030 1
165 . 1 . 1 15 15 TYR CA C 13 58.563 . . 1 . . 181 . A 15 TYR CA . 31030 1
166 . 1 . 1 15 15 TYR CB C 13 38.648 0.013 . 1 . . 178 . A 15 TYR CB . 31030 1
167 . 1 . 1 15 15 TYR CD1 C 13 133.037 . . 1 . . 156 . A 15 TYR CD1 . 31030 1
168 . 1 . 1 15 15 TYR CD2 C 13 133.037 . . 1 . . 156 . A 15 TYR CD2 . 31030 1
169 . 1 . 1 15 15 TYR CE1 C 13 118.452 . . 1 . . 158 . A 15 TYR CE1 . 31030 1
170 . 1 . 1 15 15 TYR CE2 C 13 118.452 . . 1 . . 158 . A 15 TYR CE2 . 31030 1
171 . 1 . 1 16 16 GLY H H 1 7.585 0.01 . 1 . . 55 . A 16 GLY H . 31030 1
172 . 1 . 1 16 16 GLY HA2 H 1 3.968 0.017 . 2 . . 54 . A 16 GLY HA2 . 31030 1
173 . 1 . 1 16 16 GLY HA3 H 1 4.034 0.013 . 2 . . 52 . A 16 GLY HA3 . 31030 1
174 . 1 . 1 16 16 GLY CA C 13 46.635 0.007 . 1 . . 53 . A 16 GLY CA . 31030 1
175 . 1 . 1 17 17 LYS H H 1 8.081 0.008 . 1 . . 120 . A 17 LYS H . 31030 1
176 . 1 . 1 17 17 LYS HA H 1 4.509 0.014 . 1 . . 122 . A 17 LYS HA . 31030 1
177 . 1 . 1 17 17 LYS HB2 H 1 1.766 0.018 . 2 . . 109 . A 17 LYS HB2 . 31030 1
178 . 1 . 1 17 17 LYS HB3 H 1 1.618 0.007 . 2 . . 107 . A 17 LYS HB3 . 31030 1
179 . 1 . 1 17 17 LYS HG2 H 1 1.281 0.008 . 2 . . 132 . A 17 LYS HG2 . 31030 1
180 . 1 . 1 17 17 LYS HG3 H 1 1.343 0.007 . 2 . . 130 . A 17 LYS HG3 . 31030 1
181 . 1 . 1 17 17 LYS HD2 H 1 1.619 0.004 . 2 . . 128 . A 17 LYS HD2 . 31030 1
182 . 1 . 1 17 17 LYS HD3 H 1 1.620 0.004 . 2 . . 127 . A 17 LYS HD3 . 31030 1
183 . 1 . 1 17 17 LYS HE2 H 1 2.950 0.005 . 1 . . 126 . A 17 LYS HE2 . 31030 1
184 . 1 . 1 17 17 LYS HE3 H 1 2.950 0.005 . 1 . . 125 . A 17 LYS HE3 . 31030 1
185 . 1 . 1 17 17 LYS CA C 13 55.289 . . 1 . . 123 . A 17 LYS CA . 31030 1
186 . 1 . 1 17 17 LYS CB C 13 31.958 0.01 . 1 . . 108 . A 17 LYS CB . 31030 1
187 . 1 . 1 17 17 LYS CG C 13 24.441 0.026 . 1 . . 131 . A 17 LYS CG . 31030 1
188 . 1 . 1 17 17 LYS CD C 13 29.248 . . 1 . . 129 . A 17 LYS CD . 31030 1
189 . 1 . 1 17 17 LYS CE C 13 42.125 . . 1 . . 124 . A 17 LYS CE . 31030 1
190 . 1 . 1 18 18 CYS H H 1 7.089 0.004 . 1 . . 79 . A 18 CYS H . 31030 1
191 . 1 . 1 18 18 CYS HA H 1 4.628 0.01 . 1 . . 73 . A 18 CYS HA . 31030 1
192 . 1 . 1 18 18 CYS HB2 H 1 3.104 0.006 . 2 . . 77 . A 18 CYS HB2 . 31030 1
193 . 1 . 1 18 18 CYS HB3 H 1 3.336 0.009 . 2 . . 75 . A 18 CYS HB3 . 31030 1
194 . 1 . 1 18 18 CYS CA C 13 58.486 . . 1 . . 74 . A 18 CYS CA . 31030 1
195 . 1 . 1 18 18 CYS CB C 13 38.608 0.009 . 1 . . 76 . A 18 CYS CB . 31030 1
196 . 1 . 1 19 19 PRO HA H 1 4.383 0.003 . 1 . . 133 . A 19 PRO HA . 31030 1
197 . 1 . 1 19 19 PRO HB2 H 1 2.285 0.013 . 2 . . 138 . A 19 PRO HB2 . 31030 1
198 . 1 . 1 19 19 PRO HB3 H 1 1.858 0.01 . 2 . . 140 . A 19 PRO HB3 . 31030 1
199 . 1 . 1 19 19 PRO HG2 H 1 2.009 0.005 . 1 . . 163 . A 19 PRO HG2 . 31030 1
200 . 1 . 1 19 19 PRO HG3 H 1 2.009 0.005 . 1 . . 165 . A 19 PRO HG3 . 31030 1
201 . 1 . 1 19 19 PRO HD2 H 1 3.782 0.005 . 2 . . 135 . A 19 PRO HD2 . 31030 1
202 . 1 . 1 19 19 PRO HD3 H 1 3.617 0.012 . 2 . . 137 . A 19 PRO HD3 . 31030 1
203 . 1 . 1 19 19 PRO CA C 13 62.879 . . 1 . . 134 . A 19 PRO CA . 31030 1
204 . 1 . 1 19 19 PRO CB C 13 32.092 0.026 . 1 . . 139 . A 19 PRO CB . 31030 1
205 . 1 . 1 19 19 PRO CG C 13 27.390 . . 1 . . 164 . A 19 PRO CG . 31030 1
206 . 1 . 1 19 19 PRO CD C 13 50.504 0.017 . 1 . . 136 . A 19 PRO CD . 31030 1
207 . 1 . 1 20 20 PRO HA H 1 4.687 0.002 . 1 . . 166 . A 20 PRO HA . 31030 1
208 . 1 . 1 20 20 PRO HB2 H 1 1.877 0.005 . 2 . . 141 . A 20 PRO HB2 . 31030 1
209 . 1 . 1 20 20 PRO HB3 H 1 2.334 0.009 . 2 . . 143 . A 20 PRO HB3 . 31030 1
210 . 1 . 1 20 20 PRO HG2 H 1 2.058 . . 1 . . 172 . A 20 PRO HG2 . 31030 1
211 . 1 . 1 20 20 PRO HG3 H 1 2.058 . . 1 . . 173 . A 20 PRO HG3 . 31030 1
212 . 1 . 1 20 20 PRO HD2 H 1 3.777 0.001 . 2 . . 168 . A 20 PRO HD2 . 31030 1
213 . 1 . 1 20 20 PRO HD3 H 1 3.674 0.005 . 2 . . 170 . A 20 PRO HD3 . 31030 1
214 . 1 . 1 20 20 PRO CA C 13 61.601 . . 1 . . 167 . A 20 PRO CA . 31030 1
215 . 1 . 1 20 20 PRO CB C 13 30.836 0.016 . 1 . . 142 . A 20 PRO CB . 31030 1
216 . 1 . 1 20 20 PRO CG C 13 29.804 . . 1 . . 171 . A 20 PRO CG . 31030 1
217 . 1 . 1 20 20 PRO CD C 13 50.520 0.002 . 1 . . 169 . A 20 PRO CD . 31030 1
218 . 1 . 1 21 21 LYS H H 1 8.383 0.008 . 1 . . 203 . A 21 LYS H . 31030 1
219 . 1 . 1 21 21 LYS HA H 1 4.243 0.008 . 1 . . 204 . A 21 LYS HA . 31030 1
220 . 1 . 1 21 21 LYS HB2 H 1 1.741 0.01 . 1 . . 214 . A 21 LYS HB2 . 31030 1
221 . 1 . 1 21 21 LYS HB3 H 1 1.741 0.01 . 1 . . 212 . A 21 LYS HB3 . 31030 1
222 . 1 . 1 21 21 LYS HG2 H 1 1.431 0.0 . 1 . . 211 . A 21 LYS HG2 . 31030 1
223 . 1 . 1 21 21 LYS HG3 H 1 1.431 0.0 . 1 . . 209 . A 21 LYS HG3 . 31030 1
224 . 1 . 1 21 21 LYS HD2 H 1 1.661 . . 1 . . 217 . A 21 LYS HD2 . 31030 1
225 . 1 . 1 21 21 LYS HD3 H 1 1.661 . . 1 . . 215 . A 21 LYS HD3 . 31030 1
226 . 1 . 1 21 21 LYS HE2 H 1 2.972 . . 1 . . 208 . A 21 LYS HE2 . 31030 1
227 . 1 . 1 21 21 LYS HE3 H 1 2.972 . . 1 . . 206 . A 21 LYS HE3 . 31030 1
228 . 1 . 1 21 21 LYS CA C 13 56.223 . . 1 . . 205 . A 21 LYS CA . 31030 1
229 . 1 . 1 21 21 LYS CB C 13 33.153 . . 1 . . 213 . A 21 LYS CB . 31030 1
230 . 1 . 1 21 21 LYS CG C 13 24.783 . . 1 . . 210 . A 21 LYS CG . 31030 1
231 . 1 . 1 21 21 LYS CD C 13 29.215 . . 1 . . 216 . A 21 LYS CD . 31030 1
232 . 1 . 1 21 21 LYS CE C 13 42.157 . . 1 . . 207 . A 21 LYS CE . 31030 1
233 . 1 . 1 22 22 LYN H H 1 8.353 . . 1 . . 253 . A 23 LYN H . 31030 1
234 . 1 . 1 22 22 LYN CA C 13 56.136 . . 1 . . 252 . A 23 LYN CA . 31030 1
235 . 1 . 1 22 22 LYN CB C 13 33.193 . . 1 . . 243 . A 23 LYN CB . 31030 1
236 . 1 . 1 22 22 LYN CD C 13 29.215 . . 1 . . 246 . A 23 LYN CD . 31030 1
237 . 1 . 1 22 22 LYN CE C 13 42.157 . . 1 . . 250 . A 23 LYN CE . 31030 1
238 . 1 . 1 22 22 LYN CG C 13 24.783 . . 1 . . 240 . A 23 LYN CG . 31030 1
239 . 1 . 1 22 22 LYN HA H 1 4.254 0.004 . 1 . . 251 . A 23 LYN HA . 31030 1
240 . 1 . 1 22 22 LYN HB2 H 1 1.789 0.007 . 1 . . 242 . A 23 LYN HB2 . 31030 1
241 . 1 . 1 22 22 LYN HB3 H 1 1.789 0.007 . 1 . . 244 . A 23 LYN HB3 . 31030 1
242 . 1 . 1 22 22 LYN HD2 H 1 1.661 . . 1 . . 245 . A 23 LYN HD2 . 31030 1
243 . 1 . 1 22 22 LYN HD3 H 1 1.661 . . 1 . . 247 . A 23 LYN HD3 . 31030 1
244 . 1 . 1 22 22 LYN HE2 H 1 2.972 . . 1 . . 248 . A 23 LYN HE2 . 31030 1
245 . 1 . 1 22 22 LYN HE3 H 1 2.972 . . 1 . . 249 . A 23 LYN HE3 . 31030 1
246 . 1 . 1 22 22 LYN HG2 H 1 1.430 . . 1 . . 239 . A 23 LYN HG2 . 31030 1
247 . 1 . 1 22 22 LYN HG3 H 1 1.430 . . 1 . . 241 . A 23 LYN HG3 . 31030 1
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