Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
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 51008
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Apo Ab40 in vitro major conformation'
_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 13C-detected NCA' . . . 51008 1
2 '2D 13C-detected CORD' . . . 51008 1
3 '3D NCACX' . . . 51008 1
4 '3D NCOCX' . . . 51008 1
5 '3D CONCA' . . . 51008 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 51008 1
2 $software_2 . . 51008 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 ASP C C 13 172.521 0.000 . . . . . . . 1 ASP C . 51008 1
2 . 1 . 1 1 1 ASP CA C 13 54.519 0.116 . . . . . . . 1 ASP CA . 51008 1
3 . 1 . 1 1 1 ASP CB C 13 41.813 0.000 . . . . . . . 1 ASP CB . 51008 1
4 . 1 . 1 1 1 ASP N N 15 38.020 0.323 . . . . . . . 1 ASP N . 51008 1
5 . 1 . 1 2 2 ALA CA C 13 50.854 0.017 . . . . . . . 2 ALA CA . 51008 1
6 . 1 . 1 2 2 ALA CB C 13 23.486 0.131 . . . . . . . 2 ALA CB . 51008 1
7 . 1 . 1 2 2 ALA N N 15 121.404 0.165 . . . . . . . 2 ALA N . 51008 1
8 . 1 . 1 5 5 ARG CD C 13 43.730 0.142 . . . . . . . 5 ARG CD . 51008 1
9 . 1 . 1 5 5 ARG NE N 15 85.390 0.088 . . . . . . . 5 ARG NE . 51008 1
10 . 1 . 1 8 8 SER C C 13 172.952 0.126 . . . . . . . 8 SER C . 51008 1
11 . 1 . 1 8 8 SER CA C 13 55.904 0.168 . . . . . . . 8 SER CA . 51008 1
12 . 1 . 1 8 8 SER CB C 13 65.839 0.023 . . . . . . . 8 SER CB . 51008 1
13 . 1 . 1 8 8 SER N N 15 115.189 0.258 . . . . . . . 8 SER N . 51008 1
14 . 1 . 1 9 9 GLY C C 13 171.603 0.099 . . . . . . . 9 GLY C . 51008 1
15 . 1 . 1 9 9 GLY CA C 13 44.951 0.036 . . . . . . . 9 GLY CA . 51008 1
16 . 1 . 1 9 9 GLY N N 15 109.232 0.061 . . . . . . . 9 GLY N . 51008 1
17 . 1 . 1 10 10 TYR C C 13 175.290 0.062 . . . . . . . 10 TYR C . 51008 1
18 . 1 . 1 10 10 TYR CA C 13 56.958 0.162 . . . . . . . 10 TYR CA . 51008 1
19 . 1 . 1 10 10 TYR CB C 13 42.567 0.062 . . . . . . . 10 TYR CB . 51008 1
20 . 1 . 1 10 10 TYR CE1 C 13 118.256 0.095 . . . . . . . 10 TYR CE . 51008 1
21 . 1 . 1 10 10 TYR CE2 C 13 118.256 0.095 . . . . . . . 10 TYR CE . 51008 1
22 . 1 . 1 10 10 TYR N N 15 121.340 0.171 . . . . . . . 10 TYR N . 51008 1
23 . 1 . 1 11 11 GLU C C 13 175.062 0.134 . . . . . . . 11 GLU C . 51008 1
24 . 1 . 1 11 11 GLU CA C 13 55.019 0.169 . . . . . . . 11 GLU CA . 51008 1
25 . 1 . 1 11 11 GLU CB C 13 33.346 0.048 . . . . . . . 11 GLU CB . 51008 1
26 . 1 . 1 11 11 GLU CG C 13 37.430 0.048 . . . . . . . 11 GLU CG . 51008 1
27 . 1 . 1 11 11 GLU CD C 13 181.153 0.031 . . . . . . . 11 GLU CD . 51008 1
28 . 1 . 1 11 11 GLU N N 15 126.198 0.193 . . . . . . . 11 GLU N . 51008 1
29 . 1 . 1 12 12 VAL C C 13 175.252 0.111 . . . . . . . 12 VAL C . 51008 1
30 . 1 . 1 12 12 VAL CA C 13 60.557 0.070 . . . . . . . 12 VAL CA . 51008 1
31 . 1 . 1 12 12 VAL CB C 13 35.221 0.032 . . . . . . . 12 VAL CB . 51008 1
32 . 1 . 1 12 12 VAL CG1 C 13 20.801 0.085 . . . . . . . 12 VAL CG1 . 51008 1
33 . 1 . 1 12 12 VAL N N 15 127.168 0.204 . . . . . . . 12 VAL N . 51008 1
34 . 1 . 1 13 13 HIS C C 13 173.726 0.020 . . . . . . . 13 HIS C . 51008 1
35 . 1 . 1 13 13 HIS CA C 13 53.512 0.084 . . . . . . . 13 HIS CA . 51008 1
36 . 1 . 1 13 13 HIS CB C 13 31.807 0.032 . . . . . . . 13 HIS CB . 51008 1
37 . 1 . 1 13 13 HIS CG C 13 135.492 0.095 . . . . . . . 13 HIS CG . 51008 1
38 . 1 . 1 13 13 HIS CD2 C 13 117.622 0.054 . . . . . . . 13 HIS CD2 . 51008 1
39 . 1 . 1 13 13 HIS CE1 C 13 137.397 0.263 . . . . . . . 13 HIS CE1 . 51008 1
40 . 1 . 1 13 13 HIS N N 15 122.961 0.230 . . . . . . . 13 HIS N . 51008 1
41 . 1 . 1 14 14 HIS C C 13 174.416 0.107 . . . . . . . 14 HIS C . 51008 1
42 . 1 . 1 14 14 HIS CA C 13 60.583 0.119 . . . . . . . 14 HIS CA . 51008 1
43 . 1 . 1 14 14 HIS CB C 13 23.715 0.069 . . . . . . . 14 HIS CB . 51008 1
44 . 1 . 1 14 14 HIS CG C 13 134.887 0.048 . . . . . . . 14 HIS CG . 51008 1
45 . 1 . 1 14 14 HIS CD2 C 13 119.139 0.122 . . . . . . . 14 HIS CD2 . 51008 1
46 . 1 . 1 14 14 HIS CE1 C 13 135.863 0.000 . . . . . . . 14 HIS CE1 . 51008 1
47 . 1 . 1 14 14 HIS N N 15 111.945 0.146 . . . . . . . 14 HIS N . 51008 1
48 . 1 . 1 15 15 GLN C C 13 176.470 0.180 . . . . . . . 15 GLN C . 51008 1
49 . 1 . 1 15 15 GLN CA C 13 56.092 0.091 . . . . . . . 15 GLN CA . 51008 1
50 . 1 . 1 15 15 GLN CB C 13 32.472 0.156 . . . . . . . 15 GLN CB . 51008 1
51 . 1 . 1 15 15 GLN CG C 13 35.038 0.090 . . . . . . . 15 GLN CG . 51008 1
52 . 1 . 1 15 15 GLN CD C 13 176.605 0.053 . . . . . . . 15 GLN CD . 51008 1
53 . 1 . 1 15 15 GLN N N 15 119.811 0.153 . . . . . . . 15 GLN N . 51008 1
54 . 1 . 1 15 15 GLN NE2 N 15 112.298 0.070 . . . . . . . 15 GLN NE . 51008 1
55 . 1 . 1 16 16 LYS C C 13 172.754 0.113 . . . . . . . 16 LYS C . 51008 1
56 . 1 . 1 16 16 LYS CA C 13 54.415 0.161 . . . . . . . 16 LYS CA . 51008 1
57 . 1 . 1 16 16 LYS CB C 13 37.464 0.053 . . . . . . . 16 LYS CB . 51008 1
58 . 1 . 1 16 16 LYS CG C 13 24.372 0.021 . . . . . . . 16 LYS CG . 51008 1
59 . 1 . 1 16 16 LYS N N 15 116.937 0.193 . . . . . . . 16 LYS N . 51008 1
60 . 1 . 1 17 17 LEU C C 13 175.055 0.097 . . . . . . . 17 LEU C . 51008 1
61 . 1 . 1 17 17 LEU CA C 13 54.445 0.108 . . . . . . . 17 LEU CA . 51008 1
62 . 1 . 1 17 17 LEU CB C 13 45.660 0.107 . . . . . . . 17 LEU CB . 51008 1
63 . 1 . 1 17 17 LEU CG C 13 29.363 0.050 . . . . . . . 17 LEU CG . 51008 1
64 . 1 . 1 17 17 LEU CD1 C 13 27.697 0.153 . . . . . . . 17 LEU CD1 . 51008 1
65 . 1 . 1 17 17 LEU CD2 C 13 24.097 0.034 . . . . . . . 17 LEU CD2 . 51008 1
66 . 1 . 1 17 17 LEU N N 15 128.457 0.209 . . . . . . . 17 LEU N . 51008 1
67 . 1 . 1 18 18 VAL C C 13 172.949 0.052 . . . . . . . 18 VAL C . 51008 1
68 . 1 . 1 18 18 VAL CA C 13 60.374 0.031 . . . . . . . 18 VAL CA . 51008 1
69 . 1 . 1 18 18 VAL CB C 13 36.930 0.155 . . . . . . . 18 VAL CB . 51008 1
70 . 1 . 1 18 18 VAL CG1 C 13 20.438 0.035 . . . . . . . 18 VAL CG1 . 51008 1
71 . 1 . 1 18 18 VAL CG2 C 13 20.951 0.056 . . . . . . . 18 VAL CG2 . 51008 1
72 . 1 . 1 18 18 VAL N N 15 125.628 0.167 . . . . . . . 18 VAL N . 51008 1
73 . 1 . 1 19 19 PHE C C 13 172.386 0.064 . . . . . . . 19 PHE C . 51008 1
74 . 1 . 1 19 19 PHE CA C 13 56.153 0.072 . . . . . . . 19 PHE CA . 51008 1
75 . 1 . 1 19 19 PHE CB C 13 42.814 0.082 . . . . . . . 19 PHE CB . 51008 1
76 . 1 . 1 19 19 PHE N N 15 129.972 0.304 . . . . . . . 19 PHE N . 51008 1
77 . 1 . 1 20 20 PHE C C 13 171.870 0.126 . . . . . . . 20 PHE C . 51008 1
78 . 1 . 1 20 20 PHE CA C 13 56.668 0.185 . . . . . . . 20 PHE CA . 51008 1
79 . 1 . 1 20 20 PHE CB C 13 43.785 0.056 . . . . . . . 20 PHE CB . 51008 1
80 . 1 . 1 20 20 PHE N N 15 133.031 0.158 . . . . . . . 20 PHE N . 51008 1
81 . 1 . 1 21 21 ALA C C 13 174.001 0.026 . . . . . . . 21 ALA C . 51008 1
82 . 1 . 1 21 21 ALA CA C 13 49.712 0.094 . . . . . . . 21 ALA CA . 51008 1
83 . 1 . 1 21 21 ALA CB C 13 20.790 0.052 . . . . . . . 21 ALA CB . 51008 1
84 . 1 . 1 21 21 ALA N N 15 131.386 0.247 . . . . . . . 21 ALA N . 51008 1
85 . 1 . 1 22 22 GLU C C 13 175.665 0.144 . . . . . . . 22 GLU C . 51008 1
86 . 1 . 1 22 22 GLU CA C 13 53.241 0.079 . . . . . . . 22 GLU CA . 51008 1
87 . 1 . 1 22 22 GLU CB C 13 33.748 0.011 . . . . . . . 22 GLU CB . 51008 1
88 . 1 . 1 22 22 GLU CG C 13 36.326 0.215 . . . . . . . 22 GLU CG . 51008 1
89 . 1 . 1 22 22 GLU N N 15 122.922 0.099 . . . . . . . 22 GLU N . 51008 1
90 . 1 . 1 23 23 ASP C C 13 175.087 0.094 . . . . . . . 23 ASP C . 51008 1
91 . 1 . 1 23 23 ASP CA C 13 54.406 0.055 . . . . . . . 23 ASP CA . 51008 1
92 . 1 . 1 23 23 ASP CB C 13 37.374 0.137 . . . . . . . 23 ASP CB . 51008 1
93 . 1 . 1 23 23 ASP CG C 13 180.213 0.016 . . . . . . . 23 ASP CG . 51008 1
94 . 1 . 1 23 23 ASP N N 15 126.885 0.061 . . . . . . . 23 ASP N . 51008 1
95 . 1 . 1 24 24 VAL C C 13 176.551 0.059 . . . . . . . 24 VAL C . 51008 1
96 . 1 . 1 24 24 VAL CA C 13 58.215 0.085 . . . . . . . 24 VAL CA . 51008 1
97 . 1 . 1 24 24 VAL CB C 13 35.905 0.045 . . . . . . . 24 VAL CB . 51008 1
98 . 1 . 1 24 24 VAL CG1 C 13 23.281 0.069 . . . . . . . 24 VAL CG1 . 51008 1
99 . 1 . 1 24 24 VAL CG2 C 13 22.122 0.092 . . . . . . . 24 VAL CG2 . 51008 1
100 . 1 . 1 24 24 VAL N N 15 118.858 0.150 . . . . . . . 24 VAL N . 51008 1
101 . 1 . 1 25 25 GLY C C 13 174.563 0.078 . . . . . . . 25 GLY C . 51008 1
102 . 1 . 1 25 25 GLY CA C 13 48.940 0.102 . . . . . . . 25 GLY CA . 51008 1
103 . 1 . 1 25 25 GLY N N 15 117.846 0.188 . . . . . . . 25 GLY N . 51008 1
104 . 1 . 1 26 26 SER C C 13 172.399 0.075 . . . . . . . 26 SER C . 51008 1
105 . 1 . 1 26 26 SER CA C 13 56.387 0.082 . . . . . . . 26 SER CA . 51008 1
106 . 1 . 1 26 26 SER CB C 13 64.951 0.087 . . . . . . . 26 SER CB . 51008 1
107 . 1 . 1 26 26 SER N N 15 116.264 0.183 . . . . . . . 26 SER N . 51008 1
108 . 1 . 1 27 27 ASN C C 13 173.788 0.149 . . . . . . . 27 ASN C . 51008 1
109 . 1 . 1 27 27 ASN CA C 13 52.998 0.071 . . . . . . . 27 ASN CA . 51008 1
110 . 1 . 1 27 27 ASN CB C 13 44.156 0.072 . . . . . . . 27 ASN CB . 51008 1
111 . 1 . 1 27 27 ASN CG C 13 174.183 0.007 . . . . . . . 27 ASN CG . 51008 1
112 . 1 . 1 27 27 ASN N N 15 124.085 0.110 . . . . . . . 27 ASN N . 51008 1
113 . 1 . 1 27 27 ASN ND2 N 15 108.669 0.059 . . . . . . . 27 ASN ND . 51008 1
114 . 1 . 1 28 28 LYS C C 13 174.152 0.087 . . . . . . . 28 LYS C . 51008 1
115 . 1 . 1 28 28 LYS CA C 13 55.513 0.068 . . . . . . . 28 LYS CA . 51008 1
116 . 1 . 1 28 28 LYS CB C 13 35.173 0.079 . . . . . . . 28 LYS CB . 51008 1
117 . 1 . 1 28 28 LYS CG C 13 26.643 0.034 . . . . . . . 28 LYS CG . 51008 1
118 . 1 . 1 28 28 LYS CD C 13 30.491 0.098 . . . . . . . 28 LYS CD . 51008 1
119 . 1 . 1 28 28 LYS CE C 13 41.909 0.068 . . . . . . . 28 LYS CE . 51008 1
120 . 1 . 1 28 28 LYS N N 15 130.855 0.095 . . . . . . . 28 LYS N . 51008 1
121 . 1 . 1 28 28 LYS NZ N 15 34.300 0.147 . . . . . . . 28 LYS NZ . 51008 1
122 . 1 . 1 29 29 GLY C C 13 170.690 0.054 . . . . . . . 29 GLY C . 51008 1
123 . 1 . 1 29 29 GLY CA C 13 44.981 0.101 . . . . . . . 29 GLY CA . 51008 1
124 . 1 . 1 29 29 GLY N N 15 112.629 0.211 . . . . . . . 29 GLY N . 51008 1
125 . 1 . 1 30 30 ALA C C 13 174.339 0.167 . . . . . . . 30 ALA C . 51008 1
126 . 1 . 1 30 30 ALA CA C 13 50.073 0.104 . . . . . . . 30 ALA CA . 51008 1
127 . 1 . 1 30 30 ALA CB C 13 21.377 0.087 . . . . . . . 30 ALA CB . 51008 1
128 . 1 . 1 30 30 ALA N N 15 127.446 0.174 . . . . . . . 30 ALA N . 51008 1
129 . 1 . 1 31 31 ILE C C 13 173.396 0.091 . . . . . . . 31 ILE C . 51008 1
130 . 1 . 1 31 31 ILE CA C 13 60.342 0.072 . . . . . . . 31 ILE CA . 51008 1
131 . 1 . 1 31 31 ILE CB C 13 40.415 0.050 . . . . . . . 31 ILE CB . 51008 1
132 . 1 . 1 31 31 ILE CG1 C 13 27.647 0.097 . . . . . . . 31 ILE CG1 . 51008 1
133 . 1 . 1 31 31 ILE CG2 C 13 18.616 0.049 . . . . . . . 31 ILE CG2 . 51008 1
134 . 1 . 1 31 31 ILE CD1 C 13 15.136 0.021 . . . . . . . 31 ILE CD . 51008 1
135 . 1 . 1 31 31 ILE N N 15 125.239 0.093 . . . . . . . 31 ILE N . 51008 1
136 . 1 . 1 32 32 ILE C C 13 176.423 0.063 . . . . . . . 32 ILE C . 51008 1
137 . 1 . 1 32 32 ILE CA C 13 57.747 0.102 . . . . . . . 32 ILE CA . 51008 1
138 . 1 . 1 32 32 ILE CB C 13 41.820 0.072 . . . . . . . 32 ILE CB . 51008 1
139 . 1 . 1 32 32 ILE CG1 C 13 26.981 0.057 . . . . . . . 32 ILE CG1 . 51008 1
140 . 1 . 1 32 32 ILE CG2 C 13 17.672 0.013 . . . . . . . 32 ILE CG2 . 51008 1
141 . 1 . 1 32 32 ILE CD1 C 13 15.024 0.066 . . . . . . . 32 ILE CD . 51008 1
142 . 1 . 1 32 32 ILE N N 15 126.689 0.130 . . . . . . . 32 ILE N . 51008 1
143 . 1 . 1 33 33 GLY C C 13 173.008 0.063 . . . . . . . 33 GLY C . 51008 1
144 . 1 . 1 33 33 GLY CA C 13 49.620 0.065 . . . . . . . 33 GLY CA . 51008 1
145 . 1 . 1 33 33 GLY N N 15 115.298 0.139 . . . . . . . 33 GLY N . 51008 1
146 . 1 . 1 34 34 LEU C C 13 173.581 0.056 . . . . . . . 34 LEU C . 51008 1
147 . 1 . 1 34 34 LEU CA C 13 54.424 0.091 . . . . . . . 34 LEU CA . 51008 1
148 . 1 . 1 34 34 LEU CB C 13 48.049 0.074 . . . . . . . 34 LEU CB . 51008 1
149 . 1 . 1 34 34 LEU CG C 13 29.055 0.112 . . . . . . . 34 LEU CG . 51008 1
150 . 1 . 1 34 34 LEU CD1 C 13 27.189 0.050 . . . . . . . 34 LEU CD1 . 51008 1
151 . 1 . 1 34 34 LEU CD2 C 13 24.258 0.078 . . . . . . . 34 LEU CD2 . 51008 1
152 . 1 . 1 34 34 LEU N N 15 123.257 0.187 . . . . . . . 34 LEU N . 51008 1
153 . 1 . 1 35 35 MET C C 13 175.030 0.043 . . . . . . . 35 MET C . 51008 1
154 . 1 . 1 35 35 MET CA C 13 52.963 0.127 . . . . . . . 35 MET CA . 51008 1
155 . 1 . 1 35 35 MET CB C 13 37.514 0.066 . . . . . . . 35 MET CB . 51008 1
156 . 1 . 1 35 35 MET CG C 13 31.677 0.108 . . . . . . . 35 MET CG . 51008 1
157 . 1 . 1 35 35 MET CE C 13 17.883 0.009 . . . . . . . 35 MET CE . 51008 1
158 . 1 . 1 35 35 MET N N 15 126.463 0.158 . . . . . . . 35 MET N . 51008 1
159 . 1 . 1 36 36 VAL C C 13 175.671 0.100 . . . . . . . 36 VAL C . 51008 1
160 . 1 . 1 36 36 VAL CA C 13 67.703 0.066 . . . . . . . 36 VAL CA . 51008 1
161 . 1 . 1 36 36 VAL CB C 13 28.766 0.062 . . . . . . . 36 VAL CB . 51008 1
162 . 1 . 1 36 36 VAL CG1 C 13 24.048 0.036 . . . . . . . 36 VAL CG1 . 51008 1
163 . 1 . 1 36 36 VAL CG2 C 13 22.562 0.063 . . . . . . . 36 VAL CG2 . 51008 1
164 . 1 . 1 36 36 VAL N N 15 128.000 0.153 . . . . . . . 36 VAL N . 51008 1
165 . 1 . 1 37 37 GLY C C 13 172.311 0.059 . . . . . . . 37 GLY C . 51008 1
166 . 1 . 1 37 37 GLY CA C 13 44.591 0.096 . . . . . . . 37 GLY CA . 51008 1
167 . 1 . 1 37 37 GLY N N 15 106.071 0.115 . . . . . . . 37 GLY N . 51008 1
168 . 1 . 1 38 38 GLY C C 13 170.601 0.043 . . . . . . . 38 GLY C . 51008 1
169 . 1 . 1 38 38 GLY CA C 13 46.849 0.123 . . . . . . . 38 GLY CA . 51008 1
170 . 1 . 1 38 38 GLY N N 15 106.799 0.249 . . . . . . . 38 GLY N . 51008 1
171 . 1 . 1 39 39 VAL C C 13 173.104 0.048 . . . . . . . 39 VAL C . 51008 1
172 . 1 . 1 39 39 VAL CA C 13 60.952 0.069 . . . . . . . 39 VAL CA . 51008 1
173 . 1 . 1 39 39 VAL CB C 13 35.598 0.228 . . . . . . . 39 VAL CB . 51008 1
174 . 1 . 1 39 39 VAL CG1 C 13 22.394 0.048 . . . . . . . 39 VAL CG1 . 51008 1
175 . 1 . 1 39 39 VAL CG2 C 13 21.522 0.094 . . . . . . . 39 VAL CG2 . 51008 1
176 . 1 . 1 39 39 VAL N N 15 119.091 0.150 . . . . . . . 39 VAL N . 51008 1
177 . 1 . 1 40 40 VAL C C 13 180.757 0.038 . . . . . . . 40 VAL C . 51008 1
178 . 1 . 1 40 40 VAL CA C 13 61.468 0.055 . . . . . . . 40 VAL CA . 51008 1
179 . 1 . 1 40 40 VAL CB C 13 34.645 0.053 . . . . . . . 40 VAL CB . 51008 1
180 . 1 . 1 40 40 VAL CG1 C 13 22.057 0.035 . . . . . . . 40 VAL CG1 . 51008 1
181 . 1 . 1 40 40 VAL N N 15 129.887 0.196 . . . . . . . 40 VAL N . 51008 1
stop_
save_