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 51009
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Flutemetamol-bound 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' . . . 51009 1
2 '2D 13C-detected CORD' . . . 51009 1
3 '3D NCACX' . . . 51009 1
4 '3D NCOCX' . . . 51009 1
5 '3D CONCA' . . . 51009 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 . . 51009 1
2 $software_2 . . 51009 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 13 172.377 0.077 . . . . . . . 1 ASP C . 51009 1
2 . 1 . 1 1 1 ASP CA C 13 54.497 0.132 . . . . . . . 1 ASP CA . 51009 1
3 . 1 . 1 1 1 ASP CB C 13 41.949 0.136 . . . . . . . 1 ASP CB . 51009 1
4 . 1 . 1 1 1 ASP N N 15 38.060 0.163 . . . . . . . 1 ASP N . 51009 1
5 . 1 . 1 2 2 ALA C C 13 175.503 0.089 . . . . . . . 2 ALA C . 51009 1
6 . 1 . 1 2 2 ALA CA C 13 50.778 0.077 . . . . . . . 2 ALA CA . 51009 1
7 . 1 . 1 2 2 ALA CB C 13 23.351 0.265 . . . . . . . 2 ALA CB . 51009 1
8 . 1 . 1 2 2 ALA N N 15 121.009 0.074 . . . . . . . 2 ALA N . 51009 1
9 . 1 . 1 3 3 GLU CA C 13 54.735 0.058 . . . . . . . 3 GLU CA . 51009 1
10 . 1 . 1 3 3 GLU CB C 13 33.899 0.037 . . . . . . . 3 GLU CB . 51009 1
11 . 1 . 1 3 3 GLU CG C 13 36.075 0.339 . . . . . . . 3 GLU CG . 51009 1
12 . 1 . 1 3 3 GLU CD C 13 182.804 0.000 . . . . . . . 3 GLU CD . 51009 1
13 . 1 . 1 3 3 GLU N N 15 121.530 0.303 . . . . . . . 3 GLU N . 51009 1
14 . 1 . 1 5 5 ARG CG C 13 27.545 0.024 . . . . . . . 5 ARG CG . 51009 1
15 . 1 . 1 5 5 ARG CD C 13 43.760 0.053 . . . . . . . 5 ARG CD . 51009 1
16 . 1 . 1 5 5 ARG NE N 15 85.393 0.039 . . . . . . . 5 ARG NE . 51009 1
17 . 1 . 1 8 8 SER C C 13 173.600 0.236 . . . . . . . 8 SER C . 51009 1
18 . 1 . 1 8 8 SER CA C 13 56.142 0.145 . . . . . . . 8 SER CA . 51009 1
19 . 1 . 1 8 8 SER CB C 13 66.120 0.048 . . . . . . . 8 SER CB . 51009 1
20 . 1 . 1 8 8 SER N N 15 114.694 0.330 . . . . . . . 8 SER N . 51009 1
21 . 1 . 1 9 9 GLY C C 13 171.603 0.114 . . . . . . . 9 GLY C . 51009 1
22 . 1 . 1 9 9 GLY CA C 13 45.028 0.117 . . . . . . . 9 GLY CA . 51009 1
23 . 1 . 1 9 9 GLY N N 15 109.075 0.165 . . . . . . . 9 GLY N . 51009 1
24 . 1 . 1 10 10 TYR C C 13 175.400 0.217 . . . . . . . 10 TYR C . 51009 1
25 . 1 . 1 10 10 TYR CA C 13 57.003 0.171 . . . . . . . 10 TYR CA . 51009 1
26 . 1 . 1 10 10 TYR CB C 13 42.537 0.094 . . . . . . . 10 TYR CB . 51009 1
27 . 1 . 1 10 10 TYR CE1 C 13 118.166 0.004 . . . . . . . 10 TYR CE . 51009 1
28 . 1 . 1 10 10 TYR CE2 C 13 118.166 0.004 . . . . . . . 10 TYR CE . 51009 1
29 . 1 . 1 10 10 TYR N N 15 121.361 0.223 . . . . . . . 10 TYR N . 51009 1
30 . 1 . 1 11 11 GLU C C 13 174.940 0.086 . . . . . . . 11 GLU C . 51009 1
31 . 1 . 1 11 11 GLU CA C 13 54.957 0.183 . . . . . . . 11 GLU CA . 51009 1
32 . 1 . 1 11 11 GLU CB C 13 33.397 0.157 . . . . . . . 11 GLU CB . 51009 1
33 . 1 . 1 11 11 GLU CG C 13 37.422 0.043 . . . . . . . 11 GLU CG . 51009 1
34 . 1 . 1 11 11 GLU CD C 13 181.153 0.031 . . . . . . . 11 GLU CD . 51009 1
35 . 1 . 1 11 11 GLU N N 15 126.001 0.195 . . . . . . . 11 GLU N . 51009 1
36 . 1 . 1 12 12 VAL C C 13 175.265 0.119 . . . . . . . 12 VAL C . 51009 1
37 . 1 . 1 12 12 VAL CA C 13 60.554 0.064 . . . . . . . 12 VAL CA . 51009 1
38 . 1 . 1 12 12 VAL CB C 13 35.278 0.302 . . . . . . . 12 VAL CB . 51009 1
39 . 1 . 1 12 12 VAL CG1 C 13 20.801 0.056 . . . . . . . 12 VAL CG1 . 51009 1
40 . 1 . 1 12 12 VAL N N 15 126.774 0.185 . . . . . . . 12 VAL N . 51009 1
41 . 1 . 1 13 13 HIS C C 13 173.754 0.058 . . . . . . . 13 HIS C . 51009 1
42 . 1 . 1 13 13 HIS CA C 13 53.427 0.135 . . . . . . . 13 HIS CA . 51009 1
43 . 1 . 1 13 13 HIS CB C 13 31.951 0.086 . . . . . . . 13 HIS CB . 51009 1
44 . 1 . 1 13 13 HIS CG C 13 135.746 0.050 . . . . . . . 13 HIS CG . 51009 1
45 . 1 . 1 13 13 HIS CD2 C 13 117.772 0.159 . . . . . . . 13 HIS CD2 . 51009 1
46 . 1 . 1 13 13 HIS CE1 C 13 137.735 0.135 . . . . . . . 13 HIS CE1 . 51009 1
47 . 1 . 1 13 13 HIS N N 15 122.658 0.186 . . . . . . . 13 HIS N . 51009 1
48 . 1 . 1 14 14 HIS C C 13 174.372 0.099 . . . . . . . 14 HIS C . 51009 1
49 . 1 . 1 14 14 HIS CA C 13 60.532 0.077 . . . . . . . 14 HIS CA . 51009 1
50 . 1 . 1 14 14 HIS CB C 13 23.766 0.086 . . . . . . . 14 HIS CB . 51009 1
51 . 1 . 1 14 14 HIS CG C 13 135.007 0.112 . . . . . . . 14 HIS CG . 51009 1
52 . 1 . 1 14 14 HIS CD2 C 13 118.501 0.000 . . . . . . . 14 HIS CD2 . 51009 1
53 . 1 . 1 14 14 HIS CE1 C 13 136.170 0.112 . . . . . . . 14 HIS CE1 . 51009 1
54 . 1 . 1 14 14 HIS N N 15 111.826 0.262 . . . . . . . 14 HIS N . 51009 1
55 . 1 . 1 15 15 GLN C C 13 176.379 0.216 . . . . . . . 15 GLN C . 51009 1
56 . 1 . 1 15 15 GLN CA C 13 56.097 0.086 . . . . . . . 15 GLN CA . 51009 1
57 . 1 . 1 15 15 GLN CB C 13 32.576 0.061 . . . . . . . 15 GLN CB . 51009 1
58 . 1 . 1 15 15 GLN CG C 13 35.062 0.089 . . . . . . . 15 GLN CG . 51009 1
59 . 1 . 1 15 15 GLN CD C 13 176.553 0.064 . . . . . . . 15 GLN CD . 51009 1
60 . 1 . 1 15 15 GLN N N 15 119.745 0.188 . . . . . . . 15 GLN N . 51009 1
61 . 1 . 1 15 15 GLN NE2 N 15 112.298 0.070 . . . . . . . 15 GLN NE . 51009 1
62 . 1 . 1 16 16 LYS C C 13 172.540 0.132 . . . . . . . 16 LYS C . 51009 1
63 . 1 . 1 16 16 LYS CA C 13 54.523 0.085 . . . . . . . 16 LYS CA . 51009 1
64 . 1 . 1 16 16 LYS CB C 13 37.305 0.252 . . . . . . . 16 LYS CB . 51009 1
65 . 1 . 1 16 16 LYS CG C 13 24.274 0.000 . . . . . . . 16 LYS CG . 51009 1
66 . 1 . 1 16 16 LYS N N 15 116.927 0.839 . . . . . . . 16 LYS N . 51009 1
67 . 1 . 1 17 17 LEU C C 13 175.002 0.050 . . . . . . . 17 LEU C . 51009 1
68 . 1 . 1 17 17 LEU CA C 13 54.382 0.078 . . . . . . . 17 LEU CA . 51009 1
69 . 1 . 1 17 17 LEU CB C 13 45.649 0.080 . . . . . . . 17 LEU CB . 51009 1
70 . 1 . 1 17 17 LEU CG C 13 29.372 0.055 . . . . . . . 17 LEU CG . 51009 1
71 . 1 . 1 17 17 LEU CD1 C 13 27.649 0.105 . . . . . . . 17 LEU CD1 . 51009 1
72 . 1 . 1 17 17 LEU CD2 C 13 23.938 0.073 . . . . . . . 17 LEU CD2 . 51009 1
73 . 1 . 1 17 17 LEU N N 15 128.249 0.194 . . . . . . . 17 LEU N . 51009 1
74 . 1 . 1 18 18 VAL C C 13 172.864 0.117 . . . . . . . 18 VAL C . 51009 1
75 . 1 . 1 18 18 VAL CA C 13 60.355 0.062 . . . . . . . 18 VAL CA . 51009 1
76 . 1 . 1 18 18 VAL CB C 13 36.912 0.199 . . . . . . . 18 VAL CB . 51009 1
77 . 1 . 1 18 18 VAL CG1 C 13 20.476 0.090 . . . . . . . 18 VAL CG1 . 51009 1
78 . 1 . 1 18 18 VAL CG2 C 13 20.983 0.087 . . . . . . . 18 VAL CG2 . 51009 1
79 . 1 . 1 18 18 VAL N N 15 125.715 0.095 . . . . . . . 18 VAL N . 51009 1
80 . 1 . 1 19 19 PHE C C 13 172.438 0.057 . . . . . . . 19 PHE C . 51009 1
81 . 1 . 1 19 19 PHE CA C 13 56.104 0.075 . . . . . . . 19 PHE CA . 51009 1
82 . 1 . 1 19 19 PHE CB C 13 42.766 0.081 . . . . . . . 19 PHE CB . 51009 1
83 . 1 . 1 19 19 PHE N N 15 129.879 0.120 . . . . . . . 19 PHE N . 51009 1
84 . 1 . 1 20 20 PHE C C 13 171.779 0.184 . . . . . . . 20 PHE C . 51009 1
85 . 1 . 1 20 20 PHE CA C 13 56.656 0.149 . . . . . . . 20 PHE CA . 51009 1
86 . 1 . 1 20 20 PHE CB C 13 43.270 0.287 . . . . . . . 20 PHE CB . 51009 1
87 . 1 . 1 20 20 PHE N N 15 132.591 0.225 . . . . . . . 20 PHE N . 51009 1
88 . 1 . 1 21 21 ALA C C 13 173.990 0.020 . . . . . . . 21 ALA C . 51009 1
89 . 1 . 1 21 21 ALA CA C 13 49.727 0.111 . . . . . . . 21 ALA CA . 51009 1
90 . 1 . 1 21 21 ALA CB C 13 20.841 0.029 . . . . . . . 21 ALA CB . 51009 1
91 . 1 . 1 21 21 ALA N N 15 131.506 0.219 . . . . . . . 21 ALA N . 51009 1
92 . 1 . 1 22 22 GLU C C 13 175.491 0.122 . . . . . . . 22 GLU C . 51009 1
93 . 1 . 1 22 22 GLU CA C 13 53.216 0.101 . . . . . . . 22 GLU CA . 51009 1
94 . 1 . 1 22 22 GLU CB C 13 33.799 0.393 . . . . . . . 22 GLU CB . 51009 1
95 . 1 . 1 22 22 GLU CG C 13 36.305 0.378 . . . . . . . 22 GLU CG . 51009 1
96 . 1 . 1 22 22 GLU CD C 13 181.760 0.127 . . . . . . . 22 GLU CD . 51009 1
97 . 1 . 1 22 22 GLU N N 15 122.747 0.155 . . . . . . . 22 GLU N . 51009 1
98 . 1 . 1 23 23 ASP C C 13 174.992 0.053 . . . . . . . 23 ASP C . 51009 1
99 . 1 . 1 23 23 ASP CA C 13 54.444 0.069 . . . . . . . 23 ASP CA . 51009 1
100 . 1 . 1 23 23 ASP CB C 13 37.450 0.031 . . . . . . . 23 ASP CB . 51009 1
101 . 1 . 1 23 23 ASP CG C 13 180.291 0.068 . . . . . . . 23 ASP CG . 51009 1
102 . 1 . 1 23 23 ASP N N 15 126.627 0.115 . . . . . . . 23 ASP N . 51009 1
103 . 1 . 1 24 24 VAL C C 13 176.463 0.107 . . . . . . . 24 VAL C . 51009 1
104 . 1 . 1 24 24 VAL CA C 13 58.175 0.073 . . . . . . . 24 VAL CA . 51009 1
105 . 1 . 1 24 24 VAL CB C 13 35.969 0.084 . . . . . . . 24 VAL CB . 51009 1
106 . 1 . 1 24 24 VAL CG1 C 13 23.319 0.015 . . . . . . . 24 VAL CG1 . 51009 1
107 . 1 . 1 24 24 VAL CG2 C 13 22.233 0.069 . . . . . . . 24 VAL CG2 . 51009 1
108 . 1 . 1 24 24 VAL N N 15 118.882 0.177 . . . . . . . 24 VAL N . 51009 1
109 . 1 . 1 25 25 GLY C C 13 174.430 0.058 . . . . . . . 25 GLY C . 51009 1
110 . 1 . 1 25 25 GLY CA C 13 48.991 0.084 . . . . . . . 25 GLY CA . 51009 1
111 . 1 . 1 25 25 GLY N N 15 117.492 0.117 . . . . . . . 25 GLY N . 51009 1
112 . 1 . 1 26 26 SER C C 13 172.436 0.069 . . . . . . . 26 SER C . 51009 1
113 . 1 . 1 26 26 SER CA C 13 56.409 0.075 . . . . . . . 26 SER CA . 51009 1
114 . 1 . 1 26 26 SER CB C 13 64.947 0.079 . . . . . . . 26 SER CB . 51009 1
115 . 1 . 1 26 26 SER N N 15 116.103 0.134 . . . . . . . 26 SER N . 51009 1
116 . 1 . 1 27 27 ASN C C 13 173.763 0.167 . . . . . . . 27 ASN C . 51009 1
117 . 1 . 1 27 27 ASN CA C 13 52.987 0.050 . . . . . . . 27 ASN CA . 51009 1
118 . 1 . 1 27 27 ASN CB C 13 44.131 0.070 . . . . . . . 27 ASN CB . 51009 1
119 . 1 . 1 27 27 ASN CG C 13 174.106 0.021 . . . . . . . 27 ASN CG . 51009 1
120 . 1 . 1 27 27 ASN N N 15 124.048 0.116 . . . . . . . 27 ASN N . 51009 1
121 . 1 . 1 27 27 ASN ND2 N 15 108.755 0.072 . . . . . . . 27 ASN ND . 51009 1
122 . 1 . 1 28 28 LYS C C 13 174.110 0.083 . . . . . . . 28 LYS C . 51009 1
123 . 1 . 1 28 28 LYS CA C 13 55.505 0.051 . . . . . . . 28 LYS CA . 51009 1
124 . 1 . 1 28 28 LYS CB C 13 35.195 0.073 . . . . . . . 28 LYS CB . 51009 1
125 . 1 . 1 28 28 LYS CG C 13 26.661 0.051 . . . . . . . 28 LYS CG . 51009 1
126 . 1 . 1 28 28 LYS CD C 13 30.548 0.045 . . . . . . . 28 LYS CD . 51009 1
127 . 1 . 1 28 28 LYS CE C 13 41.904 0.095 . . . . . . . 28 LYS CE . 51009 1
128 . 1 . 1 28 28 LYS N N 15 130.736 0.123 . . . . . . . 28 LYS N . 51009 1
129 . 1 . 1 28 28 LYS NZ N 15 34.160 0.098 . . . . . . . 28 LYS NZ . 51009 1
130 . 1 . 1 29 29 GLY C C 13 170.650 0.073 . . . . . . . 29 GLY C . 51009 1
131 . 1 . 1 29 29 GLY CA C 13 45.040 0.047 . . . . . . . 29 GLY CA . 51009 1
132 . 1 . 1 29 29 GLY N N 15 112.811 0.167 . . . . . . . 29 GLY N . 51009 1
133 . 1 . 1 30 30 ALA C C 13 174.313 0.132 . . . . . . . 30 ALA C . 51009 1
134 . 1 . 1 30 30 ALA CA C 13 50.017 0.077 . . . . . . . 30 ALA CA . 51009 1
135 . 1 . 1 30 30 ALA CB C 13 21.304 0.043 . . . . . . . 30 ALA CB . 51009 1
136 . 1 . 1 30 30 ALA N N 15 127.346 0.185 . . . . . . . 30 ALA N . 51009 1
137 . 1 . 1 31 31 ILE C C 13 173.340 0.101 . . . . . . . 31 ILE C . 51009 1
138 . 1 . 1 31 31 ILE CA C 13 60.330 0.053 . . . . . . . 31 ILE CA . 51009 1
139 . 1 . 1 31 31 ILE CB C 13 40.406 0.070 . . . . . . . 31 ILE CB . 51009 1
140 . 1 . 1 31 31 ILE CG1 C 13 27.687 0.102 . . . . . . . 31 ILE CG1 . 51009 1
141 . 1 . 1 31 31 ILE CG2 C 13 18.647 0.033 . . . . . . . 31 ILE CG2 . 51009 1
142 . 1 . 1 31 31 ILE CD1 C 13 15.165 0.051 . . . . . . . 31 ILE CD . 51009 1
143 . 1 . 1 31 31 ILE N N 15 125.245 0.108 . . . . . . . 31 ILE N . 51009 1
144 . 1 . 1 32 32 ILE C C 13 176.389 0.051 . . . . . . . 32 ILE C . 51009 1
145 . 1 . 1 32 32 ILE CA C 13 57.758 0.080 . . . . . . . 32 ILE CA . 51009 1
146 . 1 . 1 32 32 ILE CB C 13 41.823 0.068 . . . . . . . 32 ILE CB . 51009 1
147 . 1 . 1 32 32 ILE CG1 C 13 26.934 0.094 . . . . . . . 32 ILE CG1 . 51009 1
148 . 1 . 1 32 32 ILE CG2 C 13 17.660 0.025 . . . . . . . 32 ILE CG2 . 51009 1
149 . 1 . 1 32 32 ILE CD1 C 13 15.068 0.032 . . . . . . . 32 ILE CD . 51009 1
150 . 1 . 1 32 32 ILE N N 15 126.669 0.077 . . . . . . . 32 ILE N . 51009 1
151 . 1 . 1 33 33 GLY C C 13 172.972 0.064 . . . . . . . 33 GLY C . 51009 1
152 . 1 . 1 33 33 GLY CA C 13 49.627 0.060 . . . . . . . 33 GLY CA . 51009 1
153 . 1 . 1 33 33 GLY N N 15 115.201 0.125 . . . . . . . 33 GLY N . 51009 1
154 . 1 . 1 34 34 LEU C C 13 173.606 0.064 . . . . . . . 34 LEU C . 51009 1
155 . 1 . 1 34 34 LEU CA C 13 54.437 0.070 . . . . . . . 34 LEU CA . 51009 1
156 . 1 . 1 34 34 LEU CB C 13 48.060 0.065 . . . . . . . 34 LEU CB . 51009 1
157 . 1 . 1 34 34 LEU CG C 13 29.074 0.088 . . . . . . . 34 LEU CG . 51009 1
158 . 1 . 1 34 34 LEU CD1 C 13 27.198 0.051 . . . . . . . 34 LEU CD1 . 51009 1
159 . 1 . 1 34 34 LEU CD2 C 13 24.267 0.060 . . . . . . . 34 LEU CD2 . 51009 1
160 . 1 . 1 34 34 LEU N N 15 123.172 0.193 . . . . . . . 34 LEU N . 51009 1
161 . 1 . 1 35 35 MET C C 13 174.984 0.045 . . . . . . . 35 MET C . 51009 1
162 . 1 . 1 35 35 MET CA C 13 52.963 0.077 . . . . . . . 35 MET CA . 51009 1
163 . 1 . 1 35 35 MET CB C 13 37.543 0.044 . . . . . . . 35 MET CB . 51009 1
164 . 1 . 1 35 35 MET CG C 13 31.719 0.080 . . . . . . . 35 MET CG . 51009 1
165 . 1 . 1 35 35 MET CE C 13 17.876 0.024 . . . . . . . 35 MET CE . 51009 1
166 . 1 . 1 35 35 MET N N 15 126.290 0.111 . . . . . . . 35 MET N . 51009 1
167 . 1 . 1 36 36 VAL C C 13 175.597 0.053 . . . . . . . 36 VAL C . 51009 1
168 . 1 . 1 36 36 VAL CA C 13 67.720 0.050 . . . . . . . 36 VAL CA . 51009 1
169 . 1 . 1 36 36 VAL CB C 13 28.801 0.073 . . . . . . . 36 VAL CB . 51009 1
170 . 1 . 1 36 36 VAL CG1 C 13 24.018 0.031 . . . . . . . 36 VAL CG1 . 51009 1
171 . 1 . 1 36 36 VAL CG2 C 13 22.633 0.039 . . . . . . . 36 VAL CG2 . 51009 1
172 . 1 . 1 36 36 VAL N N 15 127.970 0.116 . . . . . . . 36 VAL N . 51009 1
173 . 1 . 1 37 37 GLY C C 13 172.326 0.063 . . . . . . . 37 GLY C . 51009 1
174 . 1 . 1 37 37 GLY CA C 13 44.611 0.089 . . . . . . . 37 GLY CA . 51009 1
175 . 1 . 1 37 37 GLY N N 15 106.036 0.128 . . . . . . . 37 GLY N . 51009 1
176 . 1 . 1 38 38 GLY C C 13 170.608 0.030 . . . . . . . 38 GLY C . 51009 1
177 . 1 . 1 38 38 GLY CA C 13 46.900 0.092 . . . . . . . 38 GLY CA . 51009 1
178 . 1 . 1 38 38 GLY N N 15 106.700 0.224 . . . . . . . 38 GLY N . 51009 1
179 . 1 . 1 39 39 VAL C C 13 173.071 0.027 . . . . . . . 39 VAL C . 51009 1
180 . 1 . 1 39 39 VAL CA C 13 60.930 0.084 . . . . . . . 39 VAL CA . 51009 1
181 . 1 . 1 39 39 VAL CB C 13 35.507 0.106 . . . . . . . 39 VAL CB . 51009 1
182 . 1 . 1 39 39 VAL CG1 C 13 22.442 0.044 . . . . . . . 39 VAL CG1 . 51009 1
183 . 1 . 1 39 39 VAL CG2 C 13 21.566 0.057 . . . . . . . 39 VAL CG2 . 51009 1
184 . 1 . 1 39 39 VAL N N 15 118.977 0.166 . . . . . . . 39 VAL N . 51009 1
185 . 1 . 1 40 40 VAL C C 13 180.791 0.070 . . . . . . . 40 VAL C . 51009 1
186 . 1 . 1 40 40 VAL CA C 13 61.481 0.049 . . . . . . . 40 VAL CA . 51009 1
187 . 1 . 1 40 40 VAL CB C 13 34.682 0.039 . . . . . . . 40 VAL CB . 51009 1
188 . 1 . 1 40 40 VAL CG1 C 13 22.082 0.044 . . . . . . . 40 VAL CG1 . 51009 1
189 . 1 . 1 40 40 VAL N N 15 129.851 0.078 . . . . . . . 40 VAL N . 51009 1
stop_
save_