Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50127
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 '3D HNCO' . . . 50127 1
2 '3D HNCA' . . . 50127 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
2 $software_2 . . 50127 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 19 19 GLY H H 1 8.1868 . . . . . . . . 58 G HN . 50127 1
2 . 1 . 1 19 19 GLY N N 15 110.396 . . . . . . . . 58 G N . 50127 1
3 . 1 . 1 20 20 LEU H H 1 8.037 . . . . . . . . 59 L HN . 50127 1
4 . 1 . 1 20 20 LEU N N 15 121.613 . . . . . . . . 59 L N . 50127 1
5 . 1 . 1 22 22 ARG C C 13 176.257 . . . . . . . . 61 R C . 50127 1
6 . 1 . 1 22 22 ARG CA C 13 55.986 . . . . . . . . 61 R CA . 50127 1
7 . 1 . 1 23 23 GLY H H 1 8.314 . . . . . . . . 62 G HN . 50127 1
8 . 1 . 1 23 23 GLY CA C 13 44.614 . . . . . . . . 62 G CA . 50127 1
9 . 1 . 1 23 23 GLY N N 15 110.663 . . . . . . . . 62 G N . 50127 1
10 . 1 . 1 24 24 PRO C C 13 177.298 . . . . . . . . 63 P C . 50127 1
11 . 1 . 1 24 24 PRO CA C 13 63.371 . . . . . . . . 63 P CA . 50127 1
12 . 1 . 1 25 25 SER H H 1 8.497 . . . . . . . . 64 S HN . 50127 1
13 . 1 . 1 25 25 SER C C 13 175.054 . . . . . . . . 64 S C . 50127 1
14 . 1 . 1 25 25 SER CA C 13 58.486 . . . . . . . . 64 S CA . 50127 1
15 . 1 . 1 25 25 SER N N 15 116.419 . . . . . . . . 64 S N . 50127 1
16 . 1 . 1 26 26 THR H H 1 8.205 . . . . . . . . 65 T HN . 50127 1
17 . 1 . 1 26 26 THR C C 13 174.582 . . . . . . . . 65 T C . 50127 1
18 . 1 . 1 26 26 THR CB C 13 69.560 . . . . . . . . 65 T CB . 50127 1
19 . 1 . 1 26 26 THR N N 15 116.006 . . . . . . . . 65 T N . 50127 1
20 . 1 . 1 27 27 GLU H H 1 8.358 . . . . . . . . 66 E HN . 50127 1
21 . 1 . 1 27 27 GLU C C 13 176.777 . . . . . . . . 66 E C . 50127 1
22 . 1 . 1 27 27 GLU CB C 13 30.264 . . . . . . . . 66 E CB . 50127 1
23 . 1 . 1 27 27 GLU N N 15 123.424 . . . . . . . . 66 E N . 50127 1
24 . 1 . 1 28 28 GLY H H 1 8.408 . . . . . . . . 67 G HN . 50127 1
25 . 1 . 1 28 28 GLY C C 13 173.782 . . . . . . . . 67 G C . 50127 1
26 . 1 . 1 28 28 GLY CA C 13 45.309 . . . . . . . . 67 G CA . 50127 1
27 . 1 . 1 28 28 GLY N N 15 110.525 . . . . . . . . 67 G N . 50127 1
28 . 1 . 1 29 29 VAL H H 1 7.919 . . . . . . . . 68 V HN . 50127 1
29 . 1 . 1 29 29 VAL CA C 13 59.899 . . . . . . . . 68 V CA . 50127 1
30 . 1 . 1 29 29 VAL N N 15 120.649 . . . . . . . . 68 V N . 50127 1
31 . 1 . 1 30 30 PRO C C 13 177.295 . . . . . . . . 69 P C . 50127 1
32 . 1 . 1 30 30 PRO CA C 13 63.434 . . . . . . . . 69 P CA . 50127 1
33 . 1 . 1 30 30 PRO CB C 13 32.135 . . . . . . . . 69 P CB . 50127 1
34 . 1 . 1 31 31 GLU H H 1 8.681 . . . . . . . . 70 E HN . 50127 1
35 . 1 . 1 31 31 GLU C C 13 177.052 . . . . . . . . 70 E C . 50127 1
36 . 1 . 1 31 31 GLU CA C 13 57.903 . . . . . . . . 70 E CA . 50127 1
37 . 1 . 1 31 31 GLU CB C 13 29.956 . . . . . . . . 70 E CB . 50127 1
38 . 1 . 1 31 31 GLU N N 15 122.001 . . . . . . . . 70 E N . 50127 1
39 . 1 . 1 32 32 SER H H 1 8.255 . . . . . . . . 71 S HN . 50127 1
40 . 1 . 1 32 32 SER C C 13 174.791 . . . . . . . . 71 S C . 50127 1
41 . 1 . 1 32 32 SER CA C 13 58.899 . . . . . . . . 71 S CA . 50127 1
42 . 1 . 1 32 32 SER CB C 13 63.574 . . . . . . . . 71 S CB . 50127 1
43 . 1 . 1 32 32 SER N N 15 115.412 . . . . . . . . 71 S N . 50127 1
44 . 1 . 1 33 33 MET H H 1 8.201 . . . . . . . . 72 M HN . 50127 1
45 . 1 . 1 33 33 MET C C 13 176.136 . . . . . . . . 72 M C . 50127 1
46 . 1 . 1 33 33 MET CA C 13 55.667 . . . . . . . . 72 M CA . 50127 1
47 . 1 . 1 33 33 MET N N 15 122.073 . . . . . . . . 72 M N . 50127 1
48 . 1 . 1 34 34 ARG H H 1 8.074 . . . . . . . . 73 R HN . 50127 1
49 . 1 . 1 34 34 ARG C C 13 176.509 . . . . . . . . 73 R C . 50127 1
50 . 1 . 1 34 34 ARG CA C 13 56.775 . . . . . . . . 73 R CA . 50127 1
51 . 1 . 1 34 34 ARG CB C 13 30.810 . . . . . . . . 73 R CB . 50127 1
52 . 1 . 1 34 34 ARG N N 15 122.069 . . . . . . . . 73 R N . 50127 1
53 . 1 . 1 35 35 GLU H H 1 8.473 . . . . . . . . 74 E HN . 50127 1
54 . 1 . 1 35 35 GLU C C 13 176.680 . . . . . . . . 74 E C . 50127 1
55 . 1 . 1 35 35 GLU CA C 13 57.079 . . . . . . . . 74 E CA . 50127 1
56 . 1 . 1 35 35 GLU CB C 13 30.016 . . . . . . . . 74 E CB . 50127 1
57 . 1 . 1 35 35 GLU N N 15 122.190 . . . . . . . . 74 E N . 50127 1
58 . 1 . 1 36 36 GLU H H 1 8.436 . . . . . . . . 75 E HN . 50127 1
59 . 1 . 1 36 36 GLU C C 13 176.384 . . . . . . . . 75 E C . 50127 1
60 . 1 . 1 36 36 GLU CA C 13 57.065 . . . . . . . . 75 E CA . 50127 1
61 . 1 . 1 36 36 GLU CB C 13 29.991 . . . . . . . . 75 E CB . 50127 1
62 . 1 . 1 36 36 GLU N N 15 121.541 . . . . . . . . 75 E N . 50127 1
63 . 1 . 1 37 37 TYR H H 1 8.105 . . . . . . . . 76 Y HN . 50127 1
64 . 1 . 1 37 37 TYR C C 13 175.884 . . . . . . . . 76 Y C . 50127 1
65 . 1 . 1 37 37 TYR CA C 13 58.115 . . . . . . . . 76 Y CA . 50127 1
66 . 1 . 1 37 37 TYR CB C 13 38.661 . . . . . . . . 76 Y CB . 50127 1
67 . 1 . 1 37 37 TYR N N 15 121.094 . . . . . . . . 76 Y N . 50127 1
68 . 1 . 1 38 38 GLN H H 1 8.180 . . . . . . . . 77 Q HN . 50127 1
69 . 1 . 1 38 38 GLN C C 13 175.837 . . . . . . . . 77 Q C . 50127 1
70 . 1 . 1 38 38 GLN CA C 13 56.064 . . . . . . . . 77 Q CA . 50127 1
71 . 1 . 1 38 38 GLN CB C 13 29.364 . . . . . . . . 77 Q CB . 50127 1
72 . 1 . 1 38 38 GLN N N 15 122.252 . . . . . . . . 77 Q N . 50127 1
73 . 1 . 1 39 39 GLN H H 1 8.294 . . . . . . . . 78 Q HN . 50127 1
74 . 1 . 1 39 39 GLN C C 13 176.227 . . . . . . . . 78 Q C . 50127 1
75 . 1 . 1 39 39 GLN CA C 13 56.297 . . . . . . . . 78 Q CA . 50127 1
76 . 1 . 1 39 39 GLN CB C 13 29.519 . . . . . . . . 78 Q CB . 50127 1
77 . 1 . 1 39 39 GLN N N 15 121.702 . . . . . . . . 78 Q N . 50127 1
78 . 1 . 1 40 40 GLU H H 1 8.460 . . . . . . . . 79 E HN . 50127 1
79 . 1 . 1 40 40 GLU C C 13 176.590 . . . . . . . . 79 E C . 50127 1
80 . 1 . 1 40 40 GLU CA C 13 56.900 . . . . . . . . 79 E CA . 50127 1
81 . 1 . 1 40 40 GLU CB C 13 30.120 . . . . . . . . 79 E CB . 50127 1
82 . 1 . 1 40 40 GLU N N 15 122.297 . . . . . . . . 79 E N . 50127 1
83 . 1 . 1 41 41 GLN H H 1 8.376 . . . . . . . . 80 Q HN . 50127 1
84 . 1 . 1 41 41 GLN C C 13 176.054 . . . . . . . . 80 Q C . 50127 1
85 . 1 . 1 41 41 GLN CA C 13 56.071 . . . . . . . . 80 Q CA . 50127 1
86 . 1 . 1 41 41 GLN CB C 13 29.504 . . . . . . . . 80 Q CB . 50127 1
87 . 1 . 1 41 41 GLN N N 15 121.555 . . . . . . . . 80 Q N . 50127 1
88 . 1 . 1 42 42 GLN H H 1 8.415 . . . . . . . . 81 Q HN . 50127 1
89 . 1 . 1 42 42 GLN C C 13 175.995 . . . . . . . . 81 Q C . 50127 1
90 . 1 . 1 42 42 GLN CA C 13 56.104 . . . . . . . . 81 Q CA . 50127 1
91 . 1 . 1 42 42 GLN CB C 13 29.569 . . . . . . . . 81 Q CB . 50127 1
92 . 1 . 1 42 42 GLN N N 15 122.057 . . . . . . . . 81 Q N . 50127 1
93 . 1 . 1 43 43 SER H H 1 8.353 . . . . . . . . 82 S HN . 50127 1
94 . 1 . 1 43 43 SER C C 13 174.127 . . . . . . . . 82 S C . 50127 1
95 . 1 . 1 43 43 SER CA C 13 58.350 . . . . . . . . 82 S CA . 50127 1
96 . 1 . 1 43 43 SER CB C 13 63.952 . . . . . . . . 82 S CB . 50127 1
97 . 1 . 1 43 43 SER N N 15 117.554 . . . . . . . . 82 S N . 50127 1
98 . 1 . 1 44 44 ALA H H 1 8.335 . . . . . . . . 83 A HN . 50127 1
99 . 1 . 1 44 44 ALA C C 13 177.490 . . . . . . . . 83 A C . 50127 1
100 . 1 . 1 44 44 ALA CA C 13 52.588 . . . . . . . . 83 A CA . 50127 1
101 . 1 . 1 44 44 ALA CB C 13 19.395 . . . . . . . . 83 A CB . 50127 1
102 . 1 . 1 44 44 ALA N N 15 126.702 . . . . . . . . 83 A N . 50127 1
103 . 1 . 1 45 45 VAL H H 1 8.006 . . . . . . . . 84 V HN . 50127 1
104 . 1 . 1 45 45 VAL C C 13 175.720 . . . . . . . . 84 V C . 50127 1
105 . 1 . 1 45 45 VAL CA C 13 62.142 . . . . . . . . 84 V CA . 50127 1
106 . 1 . 1 45 45 VAL CB C 13 32.962 . . . . . . . . 84 V CB . 50127 1
107 . 1 . 1 45 45 VAL N N 15 118.672 . . . . . . . . 84 V N . 50127 1
108 . 1 . 1 46 46 ASP H H 1 8.359 . . . . . . . . 85 D HN . 50127 1
109 . 1 . 1 46 46 ASP C C 13 176.049 . . . . . . . . 85 D C . 50127 1
110 . 1 . 1 46 46 ASP CA C 13 54.254 . . . . . . . . 85 D CA . 50127 1
111 . 1 . 1 46 46 ASP CB C 13 41.086 . . . . . . . . 85 D CB . 50127 1
112 . 1 . 1 46 46 ASP N N 15 124.243 . . . . . . . . 85 D N . 50127 1
113 . 1 . 1 47 47 VAL H H 1 8.038 . . . . . . . . 86 V HN . 50127 1
114 . 1 . 1 47 47 VAL C C 13 175.786 . . . . . . . . 86 V C . 50127 1
115 . 1 . 1 47 47 VAL CA C 13 62.235 . . . . . . . . 86 V CA . 50127 1
116 . 1 . 1 47 47 VAL CB C 13 32.984 . . . . . . . . 86 V CB . 50127 1
117 . 1 . 1 47 47 VAL N N 15 120.054 . . . . . . . . 86 V N . 50127 1
118 . 1 . 1 48 48 ASP H H 1 8.391 . . . . . . . . 87 D HN . 50127 1
119 . 1 . 1 48 48 ASP C C 13 175.962 . . . . . . . . 87 D C . 50127 1
120 . 1 . 1 48 48 ASP CA C 13 54.282 . . . . . . . . 87 D CA . 50127 1
121 . 1 . 1 48 48 ASP CB C 13 41.229 . . . . . . . . 87 D CB . 50127 1
122 . 1 . 1 48 48 ASP N N 15 124.056 . . . . . . . . 87 D N . 50127 1
123 . 1 . 1 49 49 ASP H H 1 8.268 . . . . . . . . 88 D HN . 50127 1
124 . 1 . 1 49 49 ASP C C 13 177.047 . . . . . . . . 88 D C . 50127 1
125 . 1 . 1 49 49 ASP CA C 13 54.455 . . . . . . . . 88 D CA . 50127 1
126 . 1 . 1 49 49 ASP CB C 13 40.972 . . . . . . . . 88 D CB . 50127 1
127 . 1 . 1 49 49 ASP N N 15 122.101 . . . . . . . . 88 D N . 50127 1
128 . 1 . 1 50 50 GLY H H 1 8.451 . . . . . . . . 89 G HN . 50127 1
129 . 1 . 1 50 50 GLY C C 13 174.441 . . . . . . . . 89 G C . 50127 1
130 . 1 . 1 50 50 GLY CA C 13 45.796 . . . . . . . . 89 G CA . 50127 1
131 . 1 . 1 50 50 GLY N N 15 109.293 . . . . . . . . 89 G N . 50127 1
132 . 1 . 1 51 51 HIS H H 1 8.195 . . . . . . . . 90 H HN . 50127 1
133 . 1 . 1 51 51 HIS C C 13 174.091 . . . . . . . . 90 H C . 50127 1
134 . 1 . 1 51 51 HIS CA C 13 55.683 . . . . . . . . 90 H CA . 50127 1
135 . 1 . 1 51 51 HIS CB C 13 28.629 . . . . . . . . 90 H CB . 50127 1
136 . 1 . 1 51 51 HIS N N 15 118.387 . . . . . . . . 90 H N . 50127 1
137 . 1 . 1 52 52 PHE H H 1 8.305 . . . . . . . . 91 F HN . 50127 1
138 . 1 . 1 52 52 PHE C C 13 175.395 . . . . . . . . 91 F C . 50127 1
139 . 1 . 1 52 52 PHE CA C 13 57.871 . . . . . . . . 91 F CA . 50127 1
140 . 1 . 1 52 52 PHE CB C 13 39.577 . . . . . . . . 91 F CB . 50127 1
141 . 1 . 1 52 52 PHE N N 15 121.855 . . . . . . . . 91 F N . 50127 1
142 . 1 . 1 53 53 VAL H H 1 7.996 . . . . . . . . 92 V HN . 50127 1
143 . 1 . 1 53 53 VAL C C 13 175.094 . . . . . . . . 92 V C . 50127 1
144 . 1 . 1 53 53 VAL CA C 13 62.030 . . . . . . . . 92 V CA . 50127 1
145 . 1 . 1 53 53 VAL CB C 13 33.177 . . . . . . . . 92 V CB . 50127 1
146 . 1 . 1 53 53 VAL N N 15 122.474 . . . . . . . . 92 V N . 50127 1
147 . 1 . 1 54 54 ASN H H 1 8.435 . . . . . . . . 93 N HN . 50127 1
148 . 1 . 1 54 54 ASN C C 13 174.919 . . . . . . . . 93 N C . 50127 1
149 . 1 . 1 54 54 ASN CA C 13 53.160 . . . . . . . . 93 N CA . 50127 1
150 . 1 . 1 54 54 ASN CB C 13 39.044 . . . . . . . . 93 N CB . 50127 1
151 . 1 . 1 54 54 ASN N N 15 123.307 . . . . . . . . 93 N N . 50127 1
152 . 1 . 1 55 55 ILE H H 1 8.092 . . . . . . . . 94 I HN . 50127 1
153 . 1 . 1 55 55 ILE C C 13 175.854 . . . . . . . . 94 I C . 50127 1
154 . 1 . 1 55 55 ILE CA C 13 61.293 . . . . . . . . 94 I CA . 50127 1
155 . 1 . 1 55 55 ILE CB C 13 38.944 . . . . . . . . 94 I CB . 50127 1
156 . 1 . 1 55 55 ILE N N 15 122.016 . . . . . . . . 94 I N . 50127 1
157 . 1 . 1 56 56 GLU H H 1 8.412 . . . . . . . . 95 E HN . 50127 1
158 . 1 . 1 56 56 GLU C C 13 176.013 . . . . . . . . 95 E C . 50127 1
159 . 1 . 1 56 56 GLU CA C 13 56.375 . . . . . . . . 95 E CA . 50127 1
160 . 1 . 1 56 56 GLU CB C 13 30.012 . . . . . . . . 95 E CB . 50127 1
161 . 1 . 1 56 56 GLU N N 15 124.919 . . . . . . . . 95 E N . 50127 1
162 . 1 . 1 57 57 LEU H H 1 8.203 . . . . . . . . 96 L HN . 50127 1
163 . 1 . 1 57 57 LEU C C 13 176.325 . . . . . . . . 96 L C . 50127 1
164 . 1 . 1 57 57 LEU CA C 13 55.169 . . . . . . . . 96 L CA . 50127 1
165 . 1 . 1 57 57 LEU CB C 13 42.607 . . . . . . . . 96 L CB . 50127 1
166 . 1 . 1 57 57 LEU N N 15 124.283 . . . . . . . . 96 L N . 50127 1
167 . 1 . 1 58 58 GLU H H 1 7.881 . . . . . . . . 97 E HN . 50127 1
168 . 1 . 1 58 58 GLU CA C 13 57.845 . . . . . . . . 97 E CA . 50127 1
169 . 1 . 1 58 58 GLU N N 15 126.733 . . . . . . . . 97 E N . 50127 1
stop_
save_