###################################
# 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_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 5227
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 '1H-15N HSQC' 1 $sample_1 . 5227 1
2 '1H-13C CT-HSQC' 1 $sample_1 . 5227 1
3 CBCA(CO)NH 1 $sample_1 . 5227 1
4 HNCACB 1 $sample_1 . 5227 1
5 HNCO 1 $sample_1 . 5227 1
6 HN(CA)CO 1 $sample_1 . 5227 1
7 HBHACONH 1 $sample_1 . 5227 1
8 HCCHTOCSY 1 $sample_1 . 5227 1
9 'CH3-filtered (1H13C13C) HCCHTOCSY' 1 $sample_1 . 5227 1
10 'CCC TOCSY NNH' 1 $sample_1 . 5227 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 4.033 0.019 . 2 . . . . . . . . 5227 1
2 . 1 1 1 1 GLY HA3 H 1 3.983 0.019 . 2 . . . . . . . . 5227 1
3 . 1 1 1 1 GLY CA C 13 43.59 0.042 . 1 . . . . . . . . 5227 1
4 . 1 1 2 2 SER HA H 1 4.510 0.030 . 2 . . . . . . . . 5227 1
5 . 1 1 2 2 SER HB2 H 1 4.121 0.032 . 2 . . . . . . . . 5227 1
6 . 1 1 2 2 SER HB3 H 1 3.986 0.032 . 2 . . . . . . . . 5227 1
7 . 1 1 2 2 SER C C 13 175.71 0.100 . 1 . . . . . . . . 5227 1
8 . 1 1 2 2 SER CA C 13 59.13 0.040 . 1 . . . . . . . . 5227 1
9 . 1 1 2 2 SER CB C 13 63.56 0.040 . 1 . . . . . . . . 5227 1
10 . 1 1 3 3 ALA H H 1 8.923 0.060 . 1 . . . . . . . . 5227 1
11 . 1 1 3 3 ALA HA H 1 4.176 0.033 . 1 . . . . . . . . 5227 1
12 . 1 1 3 3 ALA HB1 H 1 1.516 0.028 . 1 . . . . . . . . 5227 1
13 . 1 1 3 3 ALA HB2 H 1 1.516 0.028 . 1 . . . . . . . . 5227 1
14 . 1 1 3 3 ALA HB3 H 1 1.516 0.028 . 1 . . . . . . . . 5227 1
15 . 1 1 3 3 ALA C C 13 179.32 0.100 . 1 . . . . . . . . 5227 1
16 . 1 1 3 3 ALA CA C 13 55.17 0.042 . 1 . . . . . . . . 5227 1
17 . 1 1 3 3 ALA CB C 13 19.15 0.042 . 1 . . . . . . . . 5227 1
18 . 1 1 3 3 ALA N N 15 125.27 0.125 . 1 . . . . . . . . 5227 1
19 . 1 1 4 4 ARG H H 1 8.412 0.060 . 1 . . . . . . . . 5227 1
20 . 1 1 4 4 ARG HA H 1 4.232 0.033 . 1 . . . . . . . . 5227 1
21 . 1 1 4 4 ARG HB2 H 1 2.029 0.030 . 2 . . . . . . . . 5227 1
22 . 1 1 4 4 ARG HB3 H 1 1.932 0.030 . 2 . . . . . . . . 5227 1
23 . 1 1 4 4 ARG HG2 H 1 1.771 0.032 . 2 . . . . . . . . 5227 1
24 . 1 1 4 4 ARG HG3 H 1 1.642 0.030 . 2 . . . . . . . . 5227 1
25 . 1 1 4 4 ARG HD2 H 1 3.271 0.031 . 1 . . . . . . . . 5227 1
26 . 1 1 4 4 ARG HE H 1 7.472 0.060 . 1 . . . . . . . . 5227 1
27 . 1 1 4 4 ARG C C 13 178.29 0.100 . 1 . . . . . . . . 5227 1
28 . 1 1 4 4 ARG CA C 13 60.23 0.043 . 1 . . . . . . . . 5227 1
29 . 1 1 4 4 ARG CB C 13 29.77 0.042 . 1 . . . . . . . . 5227 1
30 . 1 1 4 4 ARG CG C 13 28.05 0.041 . 1 . . . . . . . . 5227 1
31 . 1 1 4 4 ARG CD C 13 43.20 0.042 . 1 . . . . . . . . 5227 1
32 . 1 1 4 4 ARG CZ C 13 159.53 0.100 . 1 . . . . . . . . 5227 1
33 . 1 1 4 4 ARG N N 15 118.45 0.125 . 1 . . . . . . . . 5227 1
34 . 1 1 4 4 ARG NE N 15 97.79 0.125 . 1 . . . . . . . . 5227 1
35 . 1 1 5 5 ARG H H 1 7.957 0.060 . 1 . . . . . . . . 5227 1
36 . 1 1 5 5 ARG HA H 1 4.252 0.032 . 1 . . . . . . . . 5227 1
37 . 1 1 5 5 ARG HB2 H 1 2.043 0.024 . 2 . . . . . . . . 5227 1
38 . 1 1 5 5 ARG HB3 H 1 2.021 0.027 . 2 . . . . . . . . 5227 1
39 . 1 1 5 5 ARG HG2 H 1 1.803 0.031 . 1 . . . . . . . . 5227 1
40 . 1 1 5 5 ARG HD2 H 1 3.330 0.031 . 1 . . . . . . . . 5227 1
41 . 1 1 5 5 ARG HE H 1 7.811 0.060 . 1 . . . . . . . . 5227 1
42 . 1 1 5 5 ARG C C 13 178.94 0.100 . 1 . . . . . . . . 5227 1
43 . 1 1 5 5 ARG CA C 13 58.72 0.043 . 1 . . . . . . . . 5227 1
44 . 1 1 5 5 ARG CB C 13 29.59 0.048 . 1 . . . . . . . . 5227 1
45 . 1 1 5 5 ARG CG C 13 27.54 0.040 . 1 . . . . . . . . 5227 1
46 . 1 1 5 5 ARG CD C 13 43.01 0.042 . 1 . . . . . . . . 5227 1
47 . 1 1 5 5 ARG CZ C 13 159.86 0.100 . 1 . . . . . . . . 5227 1
48 . 1 1 5 5 ARG N N 15 118.42 0.125 . 1 . . . . . . . . 5227 1
49 . 1 1 5 5 ARG NE N 15 98.00 0.125 . 1 . . . . . . . . 5227 1
50 . 1 1 6 6 LYS H H 1 7.862 0.060 . 1 . . . . . . . . 5227 1
51 . 1 1 6 6 LYS HA H 1 4.083 0.026 . 1 . . . . . . . . 5227 1
52 . 1 1 6 6 LYS HB2 H 1 2.000 0.031 . 2 . . . . . . . . 5227 1
53 . 1 1 6 6 LYS HB3 H 1 1.759 0.028 . 2 . . . . . . . . 5227 1
54 . 1 1 6 6 LYS HG2 H 1 1.666 0.032 . 2 . . . . . . . . 5227 1
55 . 1 1 6 6 LYS HG3 H 1 1.449 0.031 . 2 . . . . . . . . 5227 1
56 . 1 1 6 6 LYS HD2 H 1 1.671 0.032 . 2 . . . . . . . . 5227 1
57 . 1 1 6 6 LYS HD3 H 1 1.572 0.030 . 2 . . . . . . . . 5227 1
58 . 1 1 6 6 LYS HE2 H 1 2.899 0.030 . 2 . . . . . . . . 5227 1
59 . 1 1 6 6 LYS C C 13 180.38 0.100 . 1 . . . . . . . . 5227 1
60 . 1 1 6 6 LYS CA C 13 60.17 0.043 . 1 . . . . . . . . 5227 1
61 . 1 1 6 6 LYS CB C 13 33.10 0.036 . 1 . . . . . . . . 5227 1
62 . 1 1 6 6 LYS CG C 13 26.07 0.041 . 1 . . . . . . . . 5227 1
63 . 1 1 6 6 LYS CD C 13 29.49 0.040 . 1 . . . . . . . . 5227 1
64 . 1 1 6 6 LYS CE C 13 42.15 0.041 . 1 . . . . . . . . 5227 1
65 . 1 1 6 6 LYS N N 15 119.09 0.125 . 1 . . . . . . . . 5227 1
66 . 1 1 7 7 TRP H H 1 8.190 0.060 . 1 . . . . . . . . 5227 1
67 . 1 1 7 7 TRP HA H 1 4.147 0.031 . 1 . . . . . . . . 5227 1
68 . 1 1 7 7 TRP HB2 H 1 3.574 0.032 . 2 . . . . . . . . 5227 1
69 . 1 1 7 7 TRP HB3 H 1 2.998 0.032 . 2 . . . . . . . . 5227 1
70 . 1 1 7 7 TRP HE1 H 1 10.304 0.080 . 1 . . . . . . . . 5227 1
71 . 1 1 7 7 TRP C C 13 178.57 0.100 . 1 . . . . . . . . 5227 1
72 . 1 1 7 7 TRP CA C 13 61.25 0.044 . 1 . . . . . . . . 5227 1
73 . 1 1 7 7 TRP CB C 13 30.06 0.067 . 1 . . . . . . . . 5227 1
74 . 1 1 7 7 TRP N N 15 121.22 0.125 . 1 . . . . . . . . 5227 1
75 . 1 1 7 7 TRP NE1 N 15 128.00 0.125 . 1 . . . . . . . . 5227 1
76 . 1 1 8 8 GLN H H 1 8.26 0.060 . 1 . . . . . . . . 5227 1
77 . 1 1 8 8 GLN HA H 1 3.848 0.030 . 1 . . . . . . . . 5227 1
78 . 1 1 8 8 GLN HB2 H 1 2.155 0.029 . 2 . . . . . . . . 5227 1
79 . 1 1 8 8 GLN HB3 H 1 1.830 0.024 . 2 . . . . . . . . 5227 1
80 . 1 1 8 8 GLN HG2 H 1 2.559 0.033 . 2 . . . . . . . . 5227 1
81 . 1 1 8 8 GLN HG3 H 1 2.416 0.032 . 2 . . . . . . . . 5227 1
82 . 1 1 8 8 GLN HE21 H 1 7.214 0.060 . 2 . . . . . . . . 5227 1
83 . 1 1 8 8 GLN HE22 H 1 6.724 0.060 . 2 . . . . . . . . 5227 1
84 . 1 1 8 8 GLN C C 13 177.26 0.100 . 1 . . . . . . . . 5227 1
85 . 1 1 8 8 GLN CA C 13 59.05 0.043 . 1 . . . . . . . . 5227 1
86 . 1 1 8 8 GLN CB C 13 28.13 0.041 . 1 . . . . . . . . 5227 1
87 . 1 1 8 8 GLN CG C 13 34.31 0.041 . 1 . . . . . . . . 5227 1
88 . 1 1 8 8 GLN N N 15 117.00 0.125 . 1 . . . . . . . . 5227 1
89 . 1 1 8 8 GLN NE2 N 15 110.62 0.125 . 1 . . . . . . . . 5227 1
90 . 1 1 9 9 LYS H H 1 8.495 0.060 . 1 . . . . . . . . 5227 1
91 . 1 1 9 9 LYS HA H 1 4.129 0.026 . 1 . . . . . . . . 5227 1
92 . 1 1 9 9 LYS HB2 H 1 2.035 0.029 . 2 . . . . . . . . 5227 1
93 . 1 1 9 9 LYS HB3 H 1 1.991 0.018 . 2 . . . . . . . . 5227 1
94 . 1 1 9 9 LYS HG2 H 1 1.557 0.029 . 2 . . . . . . . . 5227 1
95 . 1 1 9 9 LYS HG3 H 1 1.399 0.029 . 2 . . . . . . . . 5227 1
96 . 1 1 9 9 LYS HD2 H 1 1.733 0.032 . 2 . . . . . . . . 5227 1
97 . 1 1 9 9 LYS HE2 H 1 2.858 0.031 . 2 . . . . . . . . 5227 1
98 . 1 1 9 9 LYS HE3 H 1 2.802 0.030 . 2 . . . . . . . . 5227 1
99 . 1 1 9 9 LYS C C 13 177.73 0.100 . 1 . . . . . . . . 5227 1
100 . 1 1 9 9 LYS CA C 13 60.17 0.043 . 1 . . . . . . . . 5227 1
101 . 1 1 9 9 LYS CB C 13 32.87 0.041 . 1 . . . . . . . . 5227 1
102 . 1 1 9 9 LYS CG C 13 24.67 0.040 . 1 . . . . . . . . 5227 1
103 . 1 1 9 9 LYS CD C 13 30.42 0.041 . 1 . . . . . . . . 5227 1
104 . 1 1 9 9 LYS CE C 13 41.92 0.041 . 1 . . . . . . . . 5227 1
105 . 1 1 9 9 LYS N N 15 118.50 0.125 . 1 . . . . . . . . 5227 1
106 . 1 1 10 10 THR H H 1 7.495 0.060 . 1 . . . . . . . . 5227 1
107 . 1 1 10 10 THR HA H 1 3.872 0.031 . 1 . . . . . . . . 5227 1
108 . 1 1 10 10 THR HB H 1 4.208 0.028 . 1 . . . . . . . . 5227 1
109 . 1 1 10 10 THR HG21 H 1 1.285 0.026 . 1 . . . . . . . . 5227 1
110 . 1 1 10 10 THR HG22 H 1 1.285 0.026 . 1 . . . . . . . . 5227 1
111 . 1 1 10 10 THR HG23 H 1 1.285 0.026 . 1 . . . . . . . . 5227 1
112 . 1 1 10 10 THR C C 13 176.92 0.100 . 1 . . . . . . . . 5227 1
113 . 1 1 10 10 THR CA C 13 66.97 0.041 . 1 . . . . . . . . 5227 1
114 . 1 1 10 10 THR CB C 13 68.64 0.040 . 1 . . . . . . . . 5227 1
115 . 1 1 10 10 THR CG2 C 13 22.34 0.039 . 1 . . . . . . . . 5227 1
116 . 1 1 10 10 THR N N 15 113.10 0.125 . 1 . . . . . . . . 5227 1
117 . 1 1 11 11 GLY H H 1 8.992 0.060 . 1 . . . . . . . . 5227 1
118 . 1 1 11 11 GLY HA2 H 1 4.182 0.032 . 2 . . . . . . . . 5227 1
119 . 1 1 11 11 GLY HA3 H 1 3.918 0.018 . 2 . . . . . . . . 5227 1
120 . 1 1 11 11 GLY C C 13 176.38 0.100 . 1 . . . . . . . . 5227 1
121 . 1 1 11 11 GLY CA C 13 48.10 0.044 . 1 . . . . . . . . 5227 1
122 . 1 1 11 11 GLY N N 15 110.24 0.125 . 1 . . . . . . . . 5227 1
123 . 1 1 12 12 HIS H H 1 8.947 0.060 . 1 . . . . . . . . 5227 1
124 . 1 1 12 12 HIS HA H 1 4.838 0.077 . 1 . . . . . . . . 5227 1
125 . 1 1 12 12 HIS HB2 H 1 3.655 0.030 . 2 . . . . . . . . 5227 1
126 . 1 1 12 12 HIS HB3 H 1 3.127 0.030 . 2 . . . . . . . . 5227 1
127 . 1 1 12 12 HIS C C 13 178.48 0.100 . 1 . . . . . . . . 5227 1
128 . 1 1 12 12 HIS CA C 13 58.74 0.071 . 1 . . . . . . . . 5227 1
129 . 1 1 12 12 HIS CB C 13 31.12 0.049 . 1 . . . . . . . . 5227 1
130 . 1 1 12 12 HIS N N 15 119.74 0.125 . 1 . . . . . . . . 5227 1
131 . 1 1 13 13 ALA H H 1 8.018 0.060 . 1 . . . . . . . . 5227 1
132 . 1 1 13 13 ALA HA H 1 4.554 0.031 . 1 . . . . . . . . 5227 1
133 . 1 1 13 13 ALA HB1 H 1 1.745 0.029 . 1 . . . . . . . . 5227 1
134 . 1 1 13 13 ALA HB2 H 1 1.745 0.029 . 1 . . . . . . . . 5227 1
135 . 1 1 13 13 ALA HB3 H 1 1.745 0.029 . 1 . . . . . . . . 5227 1
136 . 1 1 13 13 ALA C C 13 178.85 0.100 . 1 . . . . . . . . 5227 1
137 . 1 1 13 13 ALA CA C 13 56.25 0.043 . 1 . . . . . . . . 5227 1
138 . 1 1 13 13 ALA CB C 13 19.08 0.042 . 1 . . . . . . . . 5227 1
139 . 1 1 13 13 ALA N N 15 121.09 0.125 . 1 . . . . . . . . 5227 1
140 . 1 1 14 14 VAL H H 1 8.436 0.060 . 1 . . . . . . . . 5227 1
141 . 1 1 14 14 VAL HA H 1 3.754 0.032 . 1 . . . . . . . . 5227 1
142 . 1 1 14 14 VAL HB H 1 2.468 0.033 . 1 . . . . . . . . 5227 1
143 . 1 1 14 14 VAL HG11 H 1 1.232 0.028 . 2 . . . . . . . . 5227 1
144 . 1 1 14 14 VAL HG12 H 1 1.232 0.028 . 2 . . . . . . . . 5227 1
145 . 1 1 14 14 VAL HG13 H 1 1.232 0.028 . 2 . . . . . . . . 5227 1
146 . 1 1 14 14 VAL HG21 H 1 1.109 0.027 . 2 . . . . . . . . 5227 1
147 . 1 1 14 14 VAL HG22 H 1 1.109 0.027 . 2 . . . . . . . . 5227 1
148 . 1 1 14 14 VAL HG23 H 1 1.109 0.027 . 2 . . . . . . . . 5227 1
149 . 1 1 14 14 VAL C C 13 179.78 0.100 . 1 . . . . . . . . 5227 1
150 . 1 1 14 14 VAL CA C 13 67.362 0.041 . 1 . . . . . . . . 5227 1
151 . 1 1 14 14 VAL CB C 13 32.168 0.039 . 1 . . . . . . . . 5227 1
152 . 1 1 14 14 VAL CG1 C 13 22.843 0.041 . 2 . . . . . . . . 5227 1
153 . 1 1 14 14 VAL CG2 C 13 23.191 0.041 . 2 . . . . . . . . 5227 1
154 . 1 1 14 14 VAL N N 15 116.25 0.125 . 1 . . . . . . . . 5227 1
155 . 1 1 15 15 ARG H H 1 8.972 0.060 . 1 . . . . . . . . 5227 1
156 . 1 1 15 15 ARG HA H 1 4.431 0.033 . 1 . . . . . . . . 5227 1
157 . 1 1 15 15 ARG HB2 H 1 2.155 0.030 . 2 . . . . . . . . 5227 1
158 . 1 1 15 15 ARG HB3 H 1 1.967 0.026 . 2 . . . . . . . . 5227 1
159 . 1 1 15 15 ARG HG2 H 1 2.281 0.032 . 2 . . . . . . . . 5227 1
160 . 1 1 15 15 ARG HG3 H 1 1.557 0.034 . 2 . . . . . . . . 5227 1
161 . 1 1 15 15 ARG HD2 H 1 3.344 0.028 . 2 . . . . . . . . 5227 1
162 . 1 1 15 15 ARG HD3 H 1 3.233 0.031 . 2 . . . . . . . . 5227 1
163 . 1 1 15 15 ARG HE H 1 8.031 0.060 . 1 . . . . . . . . 5227 1
164 . 1 1 15 15 ARG C C 13 178.99 0.100 . 1 . . . . . . . . 5227 1
165 . 1 1 15 15 ARG CA C 13 59.63 0.043 . 1 . . . . . . . . 5227 1
166 . 1 1 15 15 ARG CB C 13 30.38 0.042 . 1 . . . . . . . . 5227 1
167 . 1 1 15 15 ARG CG C 13 29.22 0.041 . 1 . . . . . . . . 5227 1
168 . 1 1 15 15 ARG CD C 13 43.63 0.039 . 1 . . . . . . . . 5227 1
169 . 1 1 15 15 ARG CZ C 13 160.42 0.100 . 1 . . . . . . . . 5227 1
170 . 1 1 15 15 ARG N N 15 120.83 0.125 . 1 . . . . . . . . 5227 1
171 . 1 1 15 15 ARG NE N 15 96.867 0.125 . 1 . . . . . . . . 5227 1
172 . 1 1 16 16 ALA H H 1 8.666 0.060 . 1 . . . . . . . . 5227 1
173 . 1 1 16 16 ALA HA H 1 3.986 0.032 . 1 . . . . . . . . 5227 1
174 . 1 1 16 16 ALA HB1 H 1 1.748 0.030 . 1 . . . . . . . . 5227 1
175 . 1 1 16 16 ALA HB2 H 1 1.748 0.030 . 1 . . . . . . . . 5227 1
176 . 1 1 16 16 ALA HB3 H 1 1.748 0.030 . 1 . . . . . . . . 5227 1
177 . 1 1 16 16 ALA C C 13 179.32 0.100 . 1 . . . . . . . . 5227 1
178 . 1 1 16 16 ALA CA C 13 55.98 0.041 . 1 . . . . . . . . 5227 1
179 . 1 1 16 16 ALA CB C 13 18.77 0.042 . 1 . . . . . . . . 5227 1
180 . 1 1 16 16 ALA N N 15 122.65 0.125 . 1 . . . . . . . . 5227 1
181 . 1 1 17 17 ILE H H 1 7.714 0.060 . 1 . . . . . . . . 5227 1
182 . 1 1 17 17 ILE HA H 1 3.716 0.033 . 1 . . . . . . . . 5227 1
183 . 1 1 17 17 ILE HB H 1 2.263 0.032 . 1 . . . . . . . . 5227 1
184 . 1 1 17 17 ILE HG12 H 1 2.055 0.030 . 2 . . . . . . . . 5227 1
185 . 1 1 17 17 ILE HG13 H 1 1.422 0.032 . 2 . . . . . . . . 5227 1
186 . 1 1 17 17 ILE HG21 H 1 1.030 0.026 . 1 . . . . . . . . 5227 1
187 . 1 1 17 17 ILE HG22 H 1 1.030 0.026 . 1 . . . . . . . . 5227 1
188 . 1 1 17 17 ILE HG23 H 1 1.030 0.026 . 1 . . . . . . . . 5227 1
189 . 1 1 17 17 ILE HD11 H 1 0.933 0.029 . 1 . . . . . . . . 5227 1
190 . 1 1 17 17 ILE HD12 H 1 0.933 0.029 . 1 . . . . . . . . 5227 1
191 . 1 1 17 17 ILE HD13 H 1 0.933 0.029 . 1 . . . . . . . . 5227 1
192 . 1 1 17 17 ILE C C 13 179.13 0.100 . 1 . . . . . . . . 5227 1
193 . 1 1 17 17 ILE CA C 13 65.11 0.041 . 1 . . . . . . . . 5227 1
194 . 1 1 17 17 ILE CB C 13 37.61 0.039 . 1 . . . . . . . . 5227 1
195 . 1 1 17 17 ILE CG1 C 13 28.94 0.041 . 1 . . . . . . . . 5227 1
196 . 1 1 17 17 ILE CG2 C 13 17.56 0.041 . 1 . . . . . . . . 5227 1
197 . 1 1 17 17 ILE CD1 C 13 13.76 0.041 . 1 . . . . . . . . 5227 1
198 . 1 1 17 17 ILE N N 15 115.41 0.125 . 1 . . . . . . . . 5227 1
199 . 1 1 18 18 GLY H H 1 7.835 0.060 . 1 . . . . . . . . 5227 1
200 . 1 1 18 18 GLY HA2 H 1 4.110 0.028 . 2 . . . . . . . . 5227 1
201 . 1 1 18 18 GLY HA3 H 1 4.015 0.031 . 2 . . . . . . . . 5227 1
202 . 1 1 18 18 GLY C C 13 176.29 0.100 . 1 . . . . . . . . 5227 1
203 . 1 1 18 18 GLY CA C 13 47.23 0.045 . 1 . . . . . . . . 5227 1
204 . 1 1 18 18 GLY N N 15 108.24 0.125 . 1 . . . . . . . . 5227 1
205 . 1 1 19 19 ARG H H 1 8.300 0.060 . 1 . . . . . . . . 5227 1
206 . 1 1 19 19 ARG HA H 1 4.305 0.030 . 1 . . . . . . . . 5227 1
207 . 1 1 19 19 ARG HB2 H 1 2.002 0.033 . 2 . . . . . . . . 5227 1
208 . 1 1 19 19 ARG HB3 H 1 1.759 0.033 . 2 . . . . . . . . 5227 1
209 . 1 1 19 19 ARG HG2 H 1 2.020 0.033 . 2 . . . . . . . . 5227 1
210 . 1 1 19 19 ARG HG3 H 1 1.625 0.033 . 2 . . . . . . . . 5227 1
211 . 1 1 19 19 ARG HD2 H 1 3.078 0.033 . 2 . . . . . . . . 5227 1
212 . 1 1 19 19 ARG HD3 H 1 2.984 0.033 . 2 . . . . . . . . 5227 1
213 . 1 1 19 19 ARG HE H 1 9.102 0.060 . 1 . . . . . . . . 5227 1
214 . 1 1 19 19 ARG C C 13 178.10 0.100 . 1 . . . . . . . . 5227 1
215 . 1 1 19 19 ARG CA C 13 58.97 0.045 . 1 . . . . . . . . 5227 1
216 . 1 1 19 19 ARG CB C 13 30.56 0.046 . 1 . . . . . . . . 5227 1
217 . 1 1 19 19 ARG CG C 13 28.98 0.043 . 1 . . . . . . . . 5227 1
218 . 1 1 19 19 ARG CD C 13 44.21 0.043 . 1 . . . . . . . . 5227 1
219 . 1 1 19 19 ARG CZ C 13 159.43 0.100 . 1 . . . . . . . . 5227 1
220 . 1 1 19 19 ARG N N 15 121.49 0.125 . 1 . . . . . . . . 5227 1
221 . 1 1 19 19 ARG NE N 15 85.98 0.125 . 1 . . . . . . . . 5227 1
222 . 1 1 20 20 LEU H H 1 7.884 0.060 . 1 . . . . . . . . 5227 1
223 . 1 1 20 20 LEU HA H 1 4.247 0.032 . 1 . . . . . . . . 5227 1
224 . 1 1 20 20 LEU HB2 H 1 1.906 0.029 . 2 . . . . . . . . 5227 1
225 . 1 1 20 20 LEU HB3 H 1 1.493 0.030 . 2 . . . . . . . . 5227 1
226 . 1 1 20 20 LEU HG H 1 1.841 0.028 . 1 . . . . . . . . 5227 1
227 . 1 1 20 20 LEU HD11 H 1 0.807 0.027 . 2 . . . . . . . . 5227 1
228 . 1 1 20 20 LEU HD12 H 1 0.807 0.027 . 2 . . . . . . . . 5227 1
229 . 1 1 20 20 LEU HD13 H 1 0.807 0.027 . 2 . . . . . . . . 5227 1
230 . 1 1 20 20 LEU HD21 H 1 0.696 0.028 . 2 . . . . . . . . 5227 1
231 . 1 1 20 20 LEU HD22 H 1 0.696 0.028 . 2 . . . . . . . . 5227 1
232 . 1 1 20 20 LEU HD23 H 1 0.696 0.028 . 2 . . . . . . . . 5227 1
233 . 1 1 20 20 LEU C C 13 176.66 0.100 . 1 . . . . . . . . 5227 1
234 . 1 1 20 20 LEU CA C 13 56.07 0.043 . 1 . . . . . . . . 5227 1
235 . 1 1 20 20 LEU CB C 13 44.13 0.042 . 1 . . . . . . . . 5227 1
236 . 1 1 20 20 LEU CG C 13 26.88 0.040 . 1 . . . . . . . . 5227 1
237 . 1 1 20 20 LEU CD1 C 13 24.71 0.041 . 2 . . . . . . . . 5227 1
238 . 1 1 20 20 LEU CD2 C 13 26.03 0.040 . 2 . . . . . . . . 5227 1
239 . 1 1 20 20 LEU N N 15 119.90 0.125 . 1 . . . . . . . . 5227 1
240 . 1 1 21 21 SER H H 1 7.557 0.060 . 1 . . . . . . . . 5227 1
241 . 1 1 21 21 SER HA H 1 4.383 0.029 . 1 . . . . . . . . 5227 1
242 . 1 1 21 21 SER HB2 H 1 4.045 0.032 . 2 . . . . . . . . 5227 1
243 . 1 1 21 21 SER HB3 H 1 3.902 0.032 . 2 . . . . . . . . 5227 1
244 . 1 1 21 21 SER C C 13 178.88 0.100 . 1 . . . . . . . . 5227 1
245 . 1 1 21 21 SER CA C 13 59.85 0.042 . 1 . . . . . . . . 5227 1
246 . 1 1 21 21 SER CB C 13 65.72 0.041 . 1 . . . . . . . . 5227 1
247 . 1 1 21 21 SER N N 15 117.68 0.125 . 1 . . . . . . . . 5227 1
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