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 52338
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Abeta40_polymorph_2
_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 DARR' . . . 52338 1
2 '2D PDSD' . . . 52338 1
3 '2D NCA' . . . 52338 1
4 '3D NCACX' . . . 52338 1
5 '3D NCOCX' . . . 52338 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 . . 52338 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 5 5 ARG CA C 13 53.132 0.077 . 1 . . . . . 5 ARG CA . 52338 1
2 . 1 . 1 5 5 ARG CB C 13 31.714 0.101 . 1 . . . . . 5 ARG CB . 52338 1
3 . 1 . 1 5 5 ARG CG C 13 26.182 0.101 . 1 . . . . . 5 ARG CG . 52338 1
4 . 1 . 1 5 5 ARG CD C 13 42.157 0.095 . 1 . . . . . 5 ARG CD . 52338 1
5 . 1 . 1 5 5 ARG CZ C 13 158.127 0.000 . 1 . . . . . 5 ARG CZ . 52338 1
6 . 1 . 1 5 5 ARG N N 15 124.238 0.000 . 1 . . . . . 5 ARG N . 52338 1
7 . 1 . 1 7 7 ASP C C 13 174.592 0.090 . 1 . . . . . 7 ASP C . 52338 1
8 . 1 . 1 7 7 ASP CA C 13 51.951 0.101 . 1 . . . . . 7 ASP CA . 52338 1
9 . 1 . 1 7 7 ASP CB C 13 42.075 0.091 . 1 . . . . . 7 ASP CB . 52338 1
10 . 1 . 1 7 7 ASP CG C 13 179.206 0.091 . 1 . . . . . 7 ASP CG . 52338 1
11 . 1 . 1 8 8 SER C C 13 172.091 0.082 . 1 . . . . . 8 SER C . 52338 1
12 . 1 . 1 8 8 SER CA C 13 55.500 0.114 . 1 . . . . . 8 SER CA . 52338 1
13 . 1 . 1 8 8 SER CB C 13 65.685 0.078 . 1 . . . . . 8 SER CB . 52338 1
14 . 1 . 1 8 8 SER N N 15 117.310 0.000 . 1 . . . . . 8 SER N . 52338 1
15 . 1 . 1 15 15 GLN C C 13 170.204 0.090 . 1 . . . . . 15 GLN C . 52338 1
16 . 1 . 1 15 15 GLN CA C 13 53.094 0.095 . 1 . . . . . 15 GLN CA . 52338 1
17 . 1 . 1 15 15 GLN CB C 13 31.983 0.077 . 1 . . . . . 15 GLN CB . 52338 1
18 . 1 . 1 15 15 GLN CG C 13 34.891 0.107 . 1 . . . . . 15 GLN CG . 52338 1
19 . 1 . 1 15 15 GLN CD C 13 180.811 0.069 . 1 . . . . . 15 GLN CD . 52338 1
20 . 1 . 1 18 18 VAL C C 13 172.385 0.074 . 1 . . . . . 18 VAL C . 52338 1
21 . 1 . 1 18 18 VAL CA C 13 58.872 0.065 . 1 . . . . . 18 VAL CA . 52338 1
22 . 1 . 1 18 18 VAL CB C 13 34.426 0.125 . 1 . . . . . 18 VAL CB . 52338 1
23 . 1 . 1 18 18 VAL CG1 C 13 20.917 0.082 . 2 . . . . . 18 VAL CG1 . 52338 1
24 . 1 . 1 18 18 VAL CG2 C 13 19.281 0.092 . 2 . . . . . 18 VAL CG2 . 52338 1
25 . 1 . 1 18 18 VAL N N 15 119.750 0.000 . 1 . . . . . 18 VAL N . 52338 1
26 . 1 . 1 19 19 PHE C C 13 170.633 0.087 . 1 . . . . . 19 PHE C . 52338 1
27 . 1 . 1 19 19 PHE CA C 13 55.070 0.094 . 1 . . . . . 19 PHE CA . 52338 1
28 . 1 . 1 19 19 PHE CB C 13 42.295 0.083 . 1 . . . . . 19 PHE CB . 52338 1
29 . 1 . 1 19 19 PHE N N 15 127.309 0.000 . 1 . . . . . 19 PHE N . 52338 1
30 . 1 . 1 20 20 PHE C C 13 171.528 0.105 . 1 . . . . . 20 PHE C . 52338 1
31 . 1 . 1 20 20 PHE CA C 13 53.314 0.125 . 1 . . . . . 20 PHE CA . 52338 1
32 . 1 . 1 20 20 PHE CB C 13 40.958 0.094 . 1 . . . . . 20 PHE CB . 52338 1
33 . 1 . 1 20 20 PHE N N 15 128.010 0.000 . 1 . . . . . 20 PHE N . 52338 1
34 . 1 . 1 21 21 ALA C C 13 173.765 0.051 . 1 . . . . . 21 ALA C . 52338 1
35 . 1 . 1 21 21 ALA CA C 13 47.940 0.099 . 1 . . . . . 21 ALA CA . 52338 1
36 . 1 . 1 21 21 ALA CB C 13 19.437 0.096 . 1 . . . . . 21 ALA CB . 52338 1
37 . 1 . 1 21 21 ALA N N 15 126.720 0.000 . 1 . . . . . 21 ALA N . 52338 1
38 . 1 . 1 22 22 GLU C C 13 173.039 0.098 . 1 . . . . . 22 GLU C . 52338 1
39 . 1 . 1 22 22 GLU CA C 13 54.363 0.087 . 1 . . . . . 22 GLU CA . 52338 1
40 . 1 . 1 22 22 GLU CB C 13 30.401 0.098 . 1 . . . . . 22 GLU CB . 52338 1
41 . 1 . 1 22 22 GLU CG C 13 34.783 0.095 . 1 . . . . . 22 GLU CG . 52338 1
42 . 1 . 1 22 22 GLU CD C 13 181.377 0.085 . 1 . . . . . 22 GLU CD . 52338 1
43 . 1 . 1 22 22 GLU N N 15 125.529 0.000 . 1 . . . . . 22 GLU N . 52338 1
44 . 1 . 1 23 23 ASP C C 13 173.455 0.087 . 1 . . . . . 23 ASP C . 52338 1
45 . 1 . 1 23 23 ASP CA C 13 55.234 0.073 . 1 . . . . . 23 ASP CA . 52338 1
46 . 1 . 1 23 23 ASP CB C 13 37.879 0.053 . 1 . . . . . 23 ASP CB . 52338 1
47 . 1 . 1 23 23 ASP CG C 13 182.765 0.064 . 1 . . . . . 23 ASP CG . 52338 1
48 . 1 . 1 23 23 ASP N N 15 122.655 0.009 . 1 . . . . . 23 ASP N . 52338 1
49 . 1 . 1 24 24 VAL C C 13 173.160 0.115 . 1 . . . . . 24 VAL C . 52338 1
50 . 1 . 1 24 24 VAL CA C 13 58.956 0.093 . 1 . . . . . 24 VAL CA . 52338 1
51 . 1 . 1 24 24 VAL CB C 13 31.435 0.106 . 1 . . . . . 24 VAL CB . 52338 1
52 . 1 . 1 24 24 VAL CG1 C 13 21.383 0.082 . 2 . . . . . 24 VAL CG1 . 52338 1
53 . 1 . 1 24 24 VAL CG2 C 13 18.636 0.102 . 2 . . . . . 24 VAL CG2 . 52338 1
54 . 1 . 1 24 24 VAL N N 15 126.582 0.000 . 1 . . . . . 24 VAL N . 52338 1
55 . 1 . 1 25 25 GLY C C 13 170.437 0.107 . 1 . . . . . 25 GLY C . 52338 1
56 . 1 . 1 25 25 GLY CA C 13 44.736 0.100 . 1 . . . . . 25 GLY CA . 52338 1
57 . 1 . 1 25 25 GLY N N 15 111.003 0.000 . 1 . . . . . 25 GLY N . 52338 1
58 . 1 . 1 26 26 SER C C 13 172.618 0.121 . 1 . . . . . 26 SER C . 52338 1
59 . 1 . 1 26 26 SER CA C 13 54.232 0.084 . 1 . . . . . 26 SER CA . 52338 1
60 . 1 . 1 26 26 SER CB C 13 64.103 0.068 . 1 . . . . . 26 SER CB . 52338 1
61 . 1 . 1 26 26 SER N N 15 108.264 0.000 . 1 . . . . . 26 SER N . 52338 1
62 . 1 . 1 27 27 ASN C C 13 172.661 0.113 . 1 . . . . . 27 ASN C . 52338 1
63 . 1 . 1 27 27 ASN CA C 13 51.293 0.098 . 1 . . . . . 27 ASN CA . 52338 1
64 . 1 . 1 27 27 ASN CB C 13 37.276 0.085 . 1 . . . . . 27 ASN CB . 52338 1
65 . 1 . 1 27 27 ASN CG C 13 174.977 0.076 . 1 . . . . . 27 ASN CG . 52338 1
66 . 1 . 1 27 27 ASN N N 15 113.620 0.000 . 1 . . . . . 27 ASN N . 52338 1
67 . 1 . 1 28 28 LYS C C 13 173.417 0.081 . 1 . . . . . 28 LYS C . 52338 1
68 . 1 . 1 28 28 LYS CA C 13 54.357 0.093 . 1 . . . . . 28 LYS CA . 52338 1
69 . 1 . 1 28 28 LYS CB C 13 28.607 0.069 . 1 . . . . . 28 LYS CB . 52338 1
70 . 1 . 1 28 28 LYS CG C 13 24.672 0.078 . 1 . . . . . 28 LYS CG . 52338 1
71 . 1 . 1 28 28 LYS CE C 13 40.871 0.114 . 1 . . . . . 28 LYS CE . 52338 1
72 . 1 . 1 28 28 LYS N N 15 124.610 0.000 . 1 . . . . . 28 LYS N . 52338 1
73 . 1 . 1 29 29 GLY C C 13 171.672 0.100 . 1 . . . . . 29 GLY C . 52338 1
74 . 1 . 1 29 29 GLY CA C 13 47.222 0.102 . 1 . . . . . 29 GLY CA . 52338 1
75 . 1 . 1 29 29 GLY N N 15 114.000 0.000 . 1 . . . . . 29 GLY N . 52338 1
76 . 1 . 1 30 30 ALA C C 13 173.612 0.113 . 1 . . . . . 30 ALA C . 52338 1
77 . 1 . 1 30 30 ALA CA C 13 48.584 0.111 . 1 . . . . . 30 ALA CA . 52338 1
78 . 1 . 1 30 30 ALA CB C 13 21.065 0.089 . 1 . . . . . 30 ALA CB . 52338 1
79 . 1 . 1 30 30 ALA N N 15 119.124 0.000 . 1 . . . . . 30 ALA N . 52338 1
80 . 1 . 1 31 31 ILE C C 13 172.793 0.092 . 1 . . . . . 31 ILE C . 52338 1
81 . 1 . 1 31 31 ILE CA C 13 59.480 0.093 . 1 . . . . . 31 ILE CA . 52338 1
82 . 1 . 1 31 31 ILE CB C 13 38.454 0.126 . 1 . . . . . 31 ILE CB . 52338 1
83 . 1 . 1 31 31 ILE CG1 C 13 26.709 0.102 . 1 . . . . . 31 ILE CG1 . 52338 1
84 . 1 . 1 31 31 ILE CG2 C 13 17.943 0.088 . 1 . . . . . 31 ILE CG2 . 52338 1
85 . 1 . 1 31 31 ILE CD1 C 13 12.453 0.099 . 1 . . . . . 31 ILE CD1 . 52338 1
86 . 1 . 1 31 31 ILE N N 15 123.533 0.000 . 1 . . . . . 31 ILE N . 52338 1
87 . 1 . 1 32 32 ILE C C 13 174.749 0.092 . 1 . . . . . 32 ILE C . 52338 1
88 . 1 . 1 32 32 ILE CA C 13 56.557 0.108 . 1 . . . . . 32 ILE CA . 52338 1
89 . 1 . 1 32 32 ILE CB C 13 40.991 0.080 . 1 . . . . . 32 ILE CB . 52338 1
90 . 1 . 1 32 32 ILE CG1 C 13 25.691 0.094 . 1 . . . . . 32 ILE CG1 . 52338 1
91 . 1 . 1 32 32 ILE CG2 C 13 16.119 0.099 . 1 . . . . . 32 ILE CG2 . 52338 1
92 . 1 . 1 32 32 ILE CD1 C 13 12.453 0.096 . 1 . . . . . 32 ILE CD1 . 52338 1
93 . 1 . 1 32 32 ILE N N 15 125.070 0.000 . 1 . . . . . 32 ILE N . 52338 1
94 . 1 . 1 33 33 GLY C C 13 170.534 0.096 . 1 . . . . . 33 GLY C . 52338 1
95 . 1 . 1 33 33 GLY CA C 13 47.549 0.083 . 1 . . . . . 33 GLY CA . 52338 1
96 . 1 . 1 33 33 GLY N N 15 114.220 0.000 . 1 . . . . . 33 GLY N . 52338 1
97 . 1 . 1 34 34 LEU C C 13 171.736 0.057 . 1 . . . . . 34 LEU C . 52338 1
98 . 1 . 1 34 34 LEU CA C 13 52.258 0.092 . 1 . . . . . 34 LEU CA . 52338 1
99 . 1 . 1 34 34 LEU CB C 13 44.235 0.085 . 1 . . . . . 34 LEU CB . 52338 1
100 . 1 . 1 34 34 LEU CG C 13 27.032 0.102 . 1 . . . . . 34 LEU CG . 52338 1
101 . 1 . 1 34 34 LEU CD1 C 13 23.923 0.088 . 1 . . . . . 34 LEU CD1 . 52338 1
102 . 1 . 1 34 34 LEU N N 15 122.705 0.000 . 1 . . . . . 34 LEU N . 52338 1
103 . 1 . 1 35 35 MET C C 13 172.205 0.085 . 1 . . . . . 35 MET C . 52338 1
104 . 1 . 1 35 35 MET CA C 13 52.645 0.087 . 1 . . . . . 35 MET CA . 52338 1
105 . 1 . 1 35 35 MET CB C 13 37.258 0.084 . 1 . . . . . 35 MET CB . 52338 1
106 . 1 . 1 35 35 MET CG C 13 29.225 0.103 . 1 . . . . . 35 MET CG . 52338 1
107 . 1 . 1 35 35 MET N N 15 124.346 0.000 . 1 . . . . . 35 MET N . 52338 1
108 . 1 . 1 36 36 VAL C C 13 174.264 0.051 . 1 . . . . . 36 VAL C . 52338 1
109 . 1 . 1 36 36 VAL CA C 13 57.733 0.112 . 1 . . . . . 36 VAL CA . 52338 1
110 . 1 . 1 36 36 VAL CB C 13 33.506 0.083 . 1 . . . . . 36 VAL CB . 52338 1
111 . 1 . 1 36 36 VAL CG1 C 13 18.155 0.096 . 1 . . . . . 36 VAL CG1 . 52338 1
112 . 1 . 1 36 36 VAL N N 15 121.062 0.000 . 1 . . . . . 36 VAL N . 52338 1
113 . 1 . 1 37 37 GLY C C 13 171.077 0.093 . 1 . . . . . 37 GLY C . 52338 1
114 . 1 . 1 37 37 GLY CA C 13 46.824 0.090 . 1 . . . . . 37 GLY CA . 52338 1
115 . 1 . 1 37 37 GLY N N 15 113.461 0.000 . 1 . . . . . 37 GLY N . 52338 1
116 . 1 . 1 38 38 GLY C C 13 169.873 0.062 . 1 . . . . . 38 GLY C . 52338 1
117 . 1 . 1 38 38 GLY CA C 13 42.559 0.090 . 1 . . . . . 38 GLY CA . 52338 1
118 . 1 . 1 38 38 GLY N N 15 106.222 0.000 . 1 . . . . . 38 GLY N . 52338 1
119 . 1 . 1 39 39 VAL C C 13 172.812 0.107 . 1 . . . . . 39 VAL C . 52338 1
120 . 1 . 1 39 39 VAL CA C 13 59.217 0.070 . 1 . . . . . 39 VAL CA . 52338 1
121 . 1 . 1 39 39 VAL CB C 13 33.164 0.062 . 1 . . . . . 39 VAL CB . 52338 1
122 . 1 . 1 39 39 VAL CG1 C 13 20.115 0.105 . 1 . . . . . 39 VAL CG1 . 52338 1
123 . 1 . 1 39 39 VAL N N 15 125.200 0.000 . 1 . . . . . 39 VAL N . 52338 1
124 . 1 . 1 40 40 VAL C C 13 180.034 0.058 . 1 . . . . . 40 VAL C . 52338 1
125 . 1 . 1 40 40 VAL CA C 13 59.735 0.090 . 1 . . . . . 40 VAL CA . 52338 1
126 . 1 . 1 40 40 VAL CB C 13 32.931 0.096 . 1 . . . . . 40 VAL CB . 52338 1
127 . 1 . 1 40 40 VAL CG1 C 13 21.956 0.084 . 2 . . . . . 40 VAL CG1 . 52338 1
128 . 1 . 1 40 40 VAL CG2 C 13 19.285 0.093 . 2 . . . . . 40 VAL CG2 . 52338 1
129 . 1 . 1 40 40 VAL N N 15 126.620 0.000 . 1 . . . . . 40 VAL N . 52338 1
stop_
save_