###################################
# 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
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 19112
_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' 1 $sample isotropic 19112 1
2 '2D DQF-COSY' 1 $sample isotropic 19112 1
3 '2D 1H-1H NOESY' 1 $sample isotropic 19112 1
4 '2D 1H-1H TOCSY' 1 $sample isotropic 19112 1
6 '2D 1H-13C HSQC' 1 $sample isotropic 19112 1
7 '2D 1H-13C HMBC' 1 $sample isotropic 19112 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 3 3 ALA H H 1 8.384 0.001 . 1 . 51 . . 3 ALA H . 19112 1
2 . 1 1 3 3 ALA HA H 1 4.248 0.008 . 1 . 98 . . 3 ALA HA . 19112 1
3 . 1 1 3 3 ALA HB1 H 1 1.291 0.014 . 1 . 99 . . 3 ALA HB1 . 19112 1
4 . 1 1 3 3 ALA HB2 H 1 1.291 0.014 . 1 . 99 . . 3 ALA HB2 . 19112 1
5 . 1 1 3 3 ALA HB3 H 1 1.291 0.014 . 1 . 99 . . 3 ALA HB3 . 19112 1
6 . 1 1 3 3 ALA CA C 13 53.394 0.061 . 1 . 100 . . 3 ALA CA . 19112 1
7 . 1 1 3 3 ALA CB C 13 19.780 0.097 . 1 . 101 . . 3 ALA CB . 19112 1
8 . 1 1 3 3 ALA N N 15 124.155 . . 1 . 52 . . 3 ALA N . 19112 1
9 . 1 1 4 4 TYR H H 1 8.274 0.001 . 1 . 45 . . 4 TYR H . 19112 1
10 . 1 1 4 4 TYR HA H 1 4.480 0.009 . 1 . 83 . . 4 TYR HA . 19112 1
11 . 1 1 4 4 TYR HB3 H 1 2.994 0.01 . 1 . 157 . . 4 TYR HB3 . 19112 1
12 . 1 1 4 4 TYR HD1 H 1 7.104 0.008 . 3 . 161 . . 4 TYR HD1 . 19112 1
13 . 1 1 4 4 TYR HD2 H 1 7.104 0.008 . 3 . 161 . . 4 TYR HD2 . 19112 1
14 . 1 1 4 4 TYR HE1 H 1 6.819 0.012 . 3 . 159 . . 4 TYR HE1 . 19112 1
15 . 1 1 4 4 TYR HE2 H 1 6.819 0.012 . 3 . 159 . . 4 TYR HE2 . 19112 1
16 . 1 1 4 4 TYR CA C 13 58.820 . . 1 . 192 . . 4 TYR CA . 19112 1
17 . 1 1 4 4 TYR CB C 13 39.281 0.064 . 1 . 193 . . 4 TYR CB . 19112 1
18 . 1 1 4 4 TYR CG C 13 131.466 0.099 . 1 . 158 . . 4 TYR CG . 19112 1
19 . 1 1 4 4 TYR CD1 C 13 133.875 0.14 . 3 . 162 . . 4 TYR CD1 . 19112 1
20 . 1 1 4 4 TYR CD2 C 13 133.875 0.14 . 3 . 162 . . 4 TYR CD2 . 19112 1
21 . 1 1 4 4 TYR CE1 C 13 118.922 0.151 . 3 . 160 . . 4 TYR CE1 . 19112 1
22 . 1 1 4 4 TYR CE2 C 13 118.922 0.151 . 3 . 160 . . 4 TYR CE2 . 19112 1
23 . 1 1 4 4 TYR N N 15 119.694 . . 1 . 46 . . 4 TYR N . 19112 1
24 . 1 1 6 6 ALA H H 1 8.234 0.004 . 1 . 56 . . 6 ALA H . 19112 1
25 . 1 1 6 6 ALA HA H 1 4.246 0.003 . 1 . 109 . . 6 ALA HA . 19112 1
26 . 1 1 6 6 ALA HB1 H 1 1.398 0.007 . 1 . 107 . . 6 ALA HB1 . 19112 1
27 . 1 1 6 6 ALA HB2 H 1 1.398 0.007 . 1 . 107 . . 6 ALA HB2 . 19112 1
28 . 1 1 6 6 ALA HB3 H 1 1.398 0.007 . 1 . 107 . . 6 ALA HB3 . 19112 1
29 . 1 1 6 6 ALA CA C 13 53.641 0.014 . 1 . 108 . . 6 ALA CA . 19112 1
30 . 1 1 6 6 ALA N N 15 124.996 . . 1 . 57 . . 6 ALA N . 19112 1
31 . 1 1 7 7 GLY H H 1 8.380 0.001 . 1 . 1 . . 7 GLY H . 19112 1
32 . 1 1 7 7 GLY HA3 H 1 3.963 0.003 . 1 . 68 . . 7 GLY HA3 . 19112 1
33 . 1 1 7 7 GLY CA C 13 46.057 . . 1 . 199 . . 7 GLY CA . 19112 1
34 . 1 1 7 7 GLY N N 15 107.905 . . 1 . 2 . . 7 GLY N . 19112 1
35 . 1 1 8 8 GLY H H 1 8.239 0.004 . 1 . 64 . . 8 GLY H . 19112 1
36 . 1 1 8 8 GLY HA3 H 1 3.953 0.002 . 1 . 85 . . 8 GLY HA3 . 19112 1
37 . 1 1 8 8 GLY CA C 13 45.873 . . 1 . 198 . . 8 GLY CA . 19112 1
38 . 1 1 8 8 GLY N N 15 108.691 . . 1 . 65 . . 8 GLY N . 19112 1
39 . 1 1 9 9 GLY H H 1 8.307 0.001 . 1 . 27 . . 9 GLY H . 19112 1
40 . 1 1 9 9 GLY HA3 H 1 3.876 0.001 . 1 . 78 . . 9 GLY HA3 . 19112 1
41 . 1 1 9 9 GLY CA C 13 45.816 . . 1 . 112 . . 9 GLY CA . 19112 1
42 . 1 1 9 9 GLY N N 15 108.495 . . 1 . 28 . . 9 GLY N . 19112 1
43 . 1 1 10 10 HIS H H 1 8.436 0.004 . 1 . 19 . . 10 HIS H . 19112 1
44 . 1 1 10 10 HIS HA H 1 4.702 0.003 . 1 . 76 . . 10 HIS HA . 19112 1
45 . 1 1 10 10 HIS HB2 H 1 3.123 0.009 . 2 . 141 . . 10 HIS HB2 . 19112 1
46 . 1 1 10 10 HIS HB3 H 1 3.253 0.012 . 2 . 140 . . 10 HIS HB3 . 19112 1
47 . 1 1 10 10 HIS HD2 H 1 7.214 0.006 . 1 . 168 . . 10 HIS HD2 . 19112 1
48 . 1 1 10 10 HIS HE1 H 1 8.432 0.006 . 1 . 169 . . 10 HIS HE1 . 19112 1
49 . 1 1 10 10 HIS CA C 13 56.156 0.067 . 1 . 143 . . 10 HIS CA . 19112 1
50 . 1 1 10 10 HIS CB C 13 29.800 0.004 . 1 . 142 . . 10 HIS CB . 19112 1
51 . 1 1 10 10 HIS CG C 13 132.655 0.025 . 1 . 171 . . 10 HIS CG . 19112 1
52 . 1 1 10 10 HIS CD2 C 13 120.735 0.06 . 1 . 167 . . 10 HIS CD2 . 19112 1
53 . 1 1 10 10 HIS CE1 C 13 137.315 0.081 . 1 . 170 . . 10 HIS CE1 . 19112 1
54 . 1 1 10 10 HIS N N 15 118.373 . . 1 . 20 . . 10 HIS N . 19112 1
55 . 1 1 11 11 ASN H H 1 8.651 0.002 . 1 . 9 . . 11 ASN H . 19112 1
56 . 1 1 11 11 ASN HA H 1 4.702 0.002 . 1 . 72 . . 11 ASN HA . 19112 1
57 . 1 1 11 11 ASN HB2 H 1 2.759 0.011 . 2 . 145 . . 11 ASN HB2 . 19112 1
58 . 1 1 11 11 ASN HB3 H 1 2.866 0.009 . 2 . 144 . . 11 ASN HB3 . 19112 1
59 . 1 1 11 11 ASN CA C 13 54.145 0.017 . 1 . 195 . . 11 ASN CA . 19112 1
60 . 1 1 11 11 ASN CB C 13 39.498 0.036 . 1 . 194 . . 11 ASN CB . 19112 1
61 . 1 1 11 11 ASN N N 15 120.196 . . 1 . 10 . . 11 ASN N . 19112 1
62 . 1 1 12 12 GLY H H 1 8.449 0.003 . 1 . 5 . . 12 GLY H . 19112 1
63 . 1 1 12 12 GLY HA3 H 1 3.919 0.001 . 1 . 70 . . 12 GLY HA3 . 19112 1
64 . 1 1 12 12 GLY CA C 13 45.988 . . 1 . 197 . . 12 GLY CA . 19112 1
65 . 1 1 12 12 GLY N N 15 109.375 . . 1 . 6 . . 12 GLY N . 19112 1
66 . 1 1 13 13 VAL H H 1 7.858 0.003 . 1 . 43 . . 13 VAL H . 19112 1
67 . 1 1 13 13 VAL HA H 1 4.049 0.002 . 1 . 82 . . 13 VAL HA . 19112 1
68 . 1 1 13 13 VAL HB H 1 1.965 0.007 . 1 . 114 . . 13 VAL HB . 19112 1
69 . 1 1 13 13 VAL HG21 H 1 0.809 0.009 . 1 . 115 . . 13 VAL HG21 . 19112 1
70 . 1 1 13 13 VAL HG22 H 1 0.809 0.009 . 1 . 115 . . 13 VAL HG22 . 19112 1
71 . 1 1 13 13 VAL HG23 H 1 0.809 0.009 . 1 . 115 . . 13 VAL HG23 . 19112 1
72 . 1 1 13 13 VAL CA C 13 63.080 0.048 . 1 . 117 . . 13 VAL CA . 19112 1
73 . 1 1 13 13 VAL CB C 13 33.256 . . 1 . 118 . . 13 VAL CB . 19112 1
74 . 1 1 13 13 VAL CG2 C 13 21.586 0.028 . 1 . 116 . . 13 VAL CG2 . 19112 1
75 . 1 1 13 13 VAL N N 15 119.458 . . 1 . 44 . . 13 VAL N . 19112 1
76 . 1 1 14 14 PHE H H 1 8.406 0.002 . 1 . 66 . . 14 PHE H . 19112 1
77 . 1 1 14 14 PHE HA H 1 4.679 0.002 . 1 . 88 . . 14 PHE HA . 19112 1
78 . 1 1 14 14 PHE HB2 H 1 2.970 0.006 . 2 . 173 . . 14 PHE HB2 . 19112 1
79 . 1 1 14 14 PHE HB3 H 1 3.159 0.01 . 2 . 172 . . 14 PHE HB3 . 19112 1
80 . 1 1 14 14 PHE HD1 H 1 7.247 0.028 . 3 . 176 . . 14 PHE HD1 . 19112 1
81 . 1 1 14 14 PHE HD2 H 1 7.247 0.028 . 3 . 176 . . 14 PHE HD2 . 19112 1
82 . 1 1 14 14 PHE HE1 H 1 7.280 0.026 . 3 . 179 . . 14 PHE HE1 . 19112 1
83 . 1 1 14 14 PHE HE2 H 1 7.280 0.026 . 3 . 179 . . 14 PHE HE2 . 19112 1
84 . 1 1 14 14 PHE HZ H 1 7.265 . . 1 . 182 . . 14 PHE HZ . 19112 1
85 . 1 1 14 14 PHE CA C 13 58.112 . . 1 . 251 . . 14 PHE CA . 19112 1
86 . 1 1 14 14 PHE CB C 13 40.304 0.016 . 1 . 174 . . 14 PHE CB . 19112 1
87 . 1 1 14 14 PHE CG C 13 139.889 0.016 . 1 . 175 . . 14 PHE CG . 19112 1
88 . 1 1 14 14 PHE CD1 C 13 132.450 . . 3 . 177 . . 14 PHE CD1 . 19112 1
89 . 1 1 14 14 PHE CD2 C 13 132.450 . . 3 . 177 . . 14 PHE CD2 . 19112 1
90 . 1 1 14 14 PHE CE1 C 13 131.936 . . 3 . 180 . . 14 PHE CE1 . 19112 1
91 . 1 1 14 14 PHE CE2 C 13 131.936 . . 3 . 180 . . 14 PHE CE2 . 19112 1
92 . 1 1 14 14 PHE CZ C 13 130.508 0.198 . 1 . 181 . . 14 PHE CZ . 19112 1
93 . 1 1 14 14 PHE N N 15 123.887 . . 1 . 67 . . 14 PHE N . 19112 1
94 . 1 1 15 15 ASP H H 1 8.233 0.002 . 1 . 15 . . 15 ASP H . 19112 1
95 . 1 1 15 15 ASP HA H 1 4.646 0.003 . 1 . 74 . . 15 ASP HA . 19112 1
96 . 1 1 15 15 ASP HB2 H 1 2.716 0.041 . 2 . 201 . . 15 ASP HB2 . 19112 1
97 . 1 1 15 15 ASP HB3 H 1 2.636 0.025 . 2 . 202 . . 15 ASP HB3 . 19112 1
98 . 1 1 15 15 ASP CA C 13 54.762 0.088 . 1 . 196 . . 15 ASP CA . 19112 1
99 . 1 1 15 15 ASP N N 15 122.855 . . 1 . 16 . . 15 ASP N . 19112 1
100 . 1 1 16 16 GLY H H 1 7.784 0.002 . 1 . 35 . . 16 GLY H . 19112 1
101 . 1 1 16 16 GLY HA2 H 1 4.051 0.003 . 2 . 92 . . 16 GLY HA2 . 19112 1
102 . 1 1 16 16 GLY HA3 H 1 3.998 0.005 . 2 . 80 . . 16 GLY HA3 . 19112 1
103 . 1 1 16 16 GLY CA C 13 45.536 . . 1 . 200 . . 16 GLY CA . 19112 1
104 . 1 1 16 16 GLY N N 15 108.966 . . 1 . 36 . . 16 GLY N . 19112 1
105 . 1 1 17 17 PRO HA H 1 4.456 0.01 . 1 . 208 . . 17 PRO HA . 19112 1
106 . 1 1 17 17 PRO HB2 H 1 2.296 0.005 . 2 . 209 . . 17 PRO HB2 . 19112 1
107 . 1 1 17 17 PRO HB3 H 1 1.929 0.008 . 2 . 238 . . 17 PRO HB3 . 19112 1
108 . 1 1 17 17 PRO HG2 H 1 2.026 0.003 . 2 . 207 . . 17 PRO HG2 . 19112 1
109 . 1 1 17 17 PRO HG3 H 1 2.304 0.001 . 2 . 212 . . 17 PRO HG3 . 19112 1
110 . 1 1 17 17 PRO HD2 H 1 3.633 0.005 . 2 . 206 . . 17 PRO HD2 . 19112 1
111 . 1 1 17 17 PRO HD3 H 1 3.813 0.004 . 2 . 205 . . 17 PRO HD3 . 19112 1
112 . 1 1 17 17 PRO CA C 13 64.187 . . 1 . 213 . . 17 PRO CA . 19112 1
113 . 1 1 17 17 PRO CB C 13 32.840 0.024 . 1 . 239 . . 17 PRO CB . 19112 1
114 . 1 1 17 17 PRO CG C 13 28.038 2.404 . 1 . 211 . . 17 PRO CG . 19112 1
115 . 1 1 17 17 PRO CD C 13 51.199 0.016 . 1 . 210 . . 17 PRO CD . 19112 1
116 . 1 1 18 18 SER H H 1 8.382 0.002 . 1 . 13 . . 18 SER H . 19112 1
117 . 1 1 18 18 SER HA H 1 4.412 0.002 . 1 . 73 . . 18 SER HA . 19112 1
118 . 1 1 18 18 SER HB3 H 1 3.851 0.012 . 1 . 91 . . 18 SER HB3 . 19112 1
119 . 1 1 18 18 SER CA C 13 59.038 0.015 . 1 . 191 . . 18 SER CA . 19112 1
120 . 1 1 18 18 SER CB C 13 64.260 . . 1 . 190 . . 18 SER CB . 19112 1
121 . 1 1 18 18 SER N N 15 115.746 . . 1 . 14 . . 18 SER N . 19112 1
122 . 1 1 19 19 LEU H H 1 8.252 0.001 . 1 . 31 . . 19 LEU H . 19112 1
123 . 1 1 19 19 LEU HA H 1 4.359 0.004 . 1 . 79 . . 19 LEU HA . 19112 1
124 . 1 1 19 19 LEU HB3 H 1 1.594 0.006 . 1 . 154 . . 19 LEU HB3 . 19112 1
125 . 1 1 19 19 LEU HG H 1 1.598 0.005 . 1 . 129 . . 19 LEU HG . 19112 1
126 . 1 1 19 19 LEU HD11 H 1 0.903 0.007 . 2 . 163 . . 19 LEU HD11 . 19112 1
127 . 1 1 19 19 LEU HD12 H 1 0.903 0.007 . 2 . 163 . . 19 LEU HD12 . 19112 1
128 . 1 1 19 19 LEU HD13 H 1 0.903 0.007 . 2 . 163 . . 19 LEU HD13 . 19112 1
129 . 1 1 19 19 LEU HD21 H 1 0.852 0.007 . 2 . 164 . . 19 LEU HD21 . 19112 1
130 . 1 1 19 19 LEU HD22 H 1 0.852 0.007 . 2 . 164 . . 19 LEU HD22 . 19112 1
131 . 1 1 19 19 LEU HD23 H 1 0.852 0.007 . 2 . 164 . . 19 LEU HD23 . 19112 1
132 . 1 1 19 19 LEU CA C 13 60.211 . . 1 . 153 . . 19 LEU CA . 19112 1
133 . 1 1 19 19 LEU CB C 13 43.092 0.062 . 1 . 155 . . 19 LEU CB . 19112 1
134 . 1 1 19 19 LEU CG C 13 27.643 . . 1 . 130 . . 19 LEU CG . 19112 1
135 . 1 1 19 19 LEU CD1 C 13 25.514 . . 2 . 165 . . 19 LEU CD1 . 19112 1
136 . 1 1 19 19 LEU CD2 C 13 24.220 . . 2 . 166 . . 19 LEU CD2 . 19112 1
137 . 1 1 19 19 LEU N N 15 124.652 . . 1 . 32 . . 19 LEU N . 19112 1
138 . 1 1 20 20 VAL H H 1 8.112 0.006 . 1 . 17 . . 20 VAL H . 19112 1
139 . 1 1 20 20 VAL HA H 1 4.087 0.007 . 1 . 75 . . 20 VAL HA . 19112 1
140 . 1 1 20 20 VAL HB H 1 2.033 0.008 . 1 . 121 . . 20 VAL HB . 19112 1
141 . 1 1 20 20 VAL HG21 H 1 0.918 0.01 . 1 . 119 . . 20 VAL HG21 . 19112 1
142 . 1 1 20 20 VAL HG22 H 1 0.918 0.01 . 1 . 119 . . 20 VAL HG22 . 19112 1
143 . 1 1 20 20 VAL HG23 H 1 0.918 0.01 . 1 . 119 . . 20 VAL HG23 . 19112 1
144 . 1 1 20 20 VAL CA C 13 62.878 0.037 . 1 . 151 . . 20 VAL CA . 19112 1
145 . 1 1 20 20 VAL CB C 13 33.329 0.093 . 1 . 152 . . 20 VAL CB . 19112 1
146 . 1 1 20 20 VAL CG2 C 13 21.819 0.092 . 1 . 120 . . 20 VAL CG2 . 19112 1
147 . 1 1 20 20 VAL N N 15 121.738 . . 1 . 18 . . 20 VAL N . 19112 1
148 . 1 1 21 21 ARG H H 1 8.396 0.002 . 1 . 11 . . 21 ARG H . 19112 1
149 . 1 1 21 21 ARG HA H 1 4.408 0.014 . 1 . 133 . . 21 ARG HA . 19112 1
150 . 1 1 21 21 ARG HB2 H 1 1.751 0.004 . 2 . 136 . . 21 ARG HB2 . 19112 1
151 . 1 1 21 21 ARG HB3 H 1 1.854 0.005 . 2 . 135 . . 21 ARG HB3 . 19112 1
152 . 1 1 21 21 ARG HG3 H 1 1.622 0.005 . 1 . 137 . . 21 ARG HG3 . 19112 1
153 . 1 1 21 21 ARG HD2 H 1 3.190 0.009 . 1 . 138 . . 21 ARG HD2 . 19112 1
154 . 1 1 21 21 ARG HE H 1 7.325 0.004 . 1 . 146 . . 21 ARG HE . 19112 1
155 . 1 1 21 21 ARG C C 13 175.286 . . 1 . 150 . . 21 ARG C . 19112 1
156 . 1 1 21 21 ARG CA C 13 56.388 . . 1 . 134 . . 21 ARG CA . 19112 1
157 . 1 1 21 21 ARG CB C 13 31.830 0.121 . 1 . 148 . . 21 ARG CB . 19112 1
158 . 1 1 21 21 ARG CG C 13 27.675 0.013 . 1 . 149 . . 21 ARG CG . 19112 1
159 . 1 1 21 21 ARG CD C 13 43.900 . . 1 . 147 . . 21 ARG CD . 19112 1
160 . 1 1 21 21 ARG N N 15 125.856 . . 1 . 12 . . 21 ARG N . 19112 1
161 . 1 1 22 22 TPO H H 1 8.743 0.001 . 1 . 7 . . 22 THR H . 19112 1
162 . 1 1 22 22 TPO HA H 1 4.604 0.001 . 1 . 71 . . 22 THR HA . 19112 1
163 . 1 1 22 22 TPO HB H 1 4.476 0.003 . 1 . 102 . . 22 THR HB . 19112 1
164 . 1 1 22 22 TPO HG21 H 1 1.339 0.007 . 1 . 104 . . 22 THR HG21 . 19112 1
165 . 1 1 22 22 TPO HG22 H 1 1.339 0.007 . 1 . 104 . . 22 THR HG22 . 19112 1
166 . 1 1 22 22 TPO HG23 H 1 1.339 0.007 . 1 . 104 . . 22 THR HG23 . 19112 1
167 . 1 1 22 22 TPO CA C 13 60.572 . . 1 . 250 . . 22 THR CA . 19112 1
168 . 1 1 22 22 TPO CB C 13 73.766 . . 1 . 103 . . 22 THR CB . 19112 1
169 . 1 1 22 22 TPO CG2 C 13 21.244 . . 1 . 105 . . 22 THR CG2 . 19112 1
170 . 1 1 22 22 TPO N N 15 119.675 . . 1 . 8 . . 22 THR N . 19112 1
171 . 1 1 23 23 PRO HA H 1 4.658 0.005 . 1 . 220 . . 23 PRO HA . 19112 1
172 . 1 1 23 23 PRO HB2 H 1 1.856 0.002 . 2 . 225 . . 23 PRO HB2 . 19112 1
173 . 1 1 23 23 PRO HB3 H 1 2.376 0.003 . 2 . 216 . . 23 PRO HB3 . 19112 1
174 . 1 1 23 23 PRO HG2 H 1 1.998 0.005 . 2 . 222 . . 23 PRO HG2 . 19112 1
175 . 1 1 23 23 PRO HG3 H 1 2.083 0.005 . 2 . 218 . . 23 PRO HG3 . 19112 1
176 . 1 1 23 23 PRO HD2 H 1 3.715 0.003 . 2 . 215 . . 23 PRO HD2 . 19112 1
177 . 1 1 23 23 PRO HD3 H 1 3.945 0.003 . 2 . 214 . . 23 PRO HD3 . 19112 1
178 . 1 1 23 23 PRO CA C 13 62.347 . . 1 . 221 . . 23 PRO CA . 19112 1
179 . 1 1 23 23 PRO CB C 13 31.583 0.002 . 1 . 219 . . 23 PRO CB . 19112 1
180 . 1 1 23 23 PRO CG C 13 28.197 . . 1 . 240 . . 23 PRO CG . 19112 1
181 . 1 1 23 23 PRO CD C 13 51.796 0.022 . 1 . 217 . . 23 PRO CD . 19112 1
182 . 1 1 25 25 LYS H H 1 8.492 0.002 . 1 . 3 . . 25 LYS H . 19112 1
183 . 1 1 25 25 LYS HA H 1 4.327 0.004 . 1 . 69 . . 25 LYS HA . 19112 1
184 . 1 1 25 25 LYS HB2 H 1 1.828 0.003 . 2 . 183 . . 25 LYS HB2 . 19112 1
185 . 1 1 25 25 LYS HB3 H 1 1.758 0.005 . 2 . 184 . . 25 LYS HB3 . 19112 1
186 . 1 1 25 25 LYS HG3 H 1 1.484 0.006 . 1 . 187 . . 25 LYS HG3 . 19112 1
187 . 1 1 25 25 LYS HD3 H 1 1.701 0.01 . 1 . 186 . . 25 LYS HD3 . 19112 1
188 . 1 1 25 25 LYS HE3 H 1 3.017 0.004 . 1 . 223 . . 25 LYS HE3 . 19112 1
189 . 1 1 25 25 LYS CA C 13 56.646 . . 1 . 189 . . 25 LYS CA . 19112 1
190 . 1 1 25 25 LYS CB C 13 33.924 0.014 . 1 . 185 . . 25 LYS CB . 19112 1
191 . 1 1 25 25 LYS CG C 13 25.270 0.015 . 1 . 188 . . 25 LYS CG . 19112 1
192 . 1 1 25 25 LYS CD C 13 29.606 . . 1 . 224 . . 25 LYS CD . 19112 1
193 . 1 1 25 25 LYS CE C 13 42.772 . . 1 . 242 . . 25 LYS CE . 19112 1
194 . 1 1 25 25 LYS N N 15 122.431 . . 1 . 4 . . 25 LYS N . 19112 1
195 . 1 1 26 26 SEP H H 1 8.679 0.001 . 1 . 53 . . 26 SER H . 19112 1
196 . 1 1 26 26 SEP HA H 1 4.833 0.009 . 1 . 84 . . 26 SER HA . 19112 1
197 . 1 1 26 26 SEP HB3 H 1 4.070 0.005 . 1 . 90 . . 26 SER HB3 . 19112 1
198 . 1 1 26 26 SEP CB C 13 66.117 . . 1 . 125 . . 26 SER CB . 19112 1
199 . 1 1 26 26 SEP N N 15 118.769 . . 1 . 54 . . 26 SER N . 19112 1
stop_
save_