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 36013
_Assigned_chem_shift_list.ID 1
_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 1H-15N HSQC' 1 $sample_1 isotropic 36013 1
2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 36013 1
3 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 36013 1
4 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36013 1
5 '3D HNCO' 1 $sample_1 isotropic 36013 1
6 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36013 1
7 '3D C(CO)NH' 1 $sample_1 isotropic 36013 1
8 '3D H(CCO)NH' 1 $sample_1 isotropic 36013 1
9 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36013 1
10 '3D 1H-13C NOESY' 2 $sample_2 isotropic 36013 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
3 $software_3 . . 36013 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 TYR HA H 1 4.2540 0.0000 . 1 . . . A 392 TYR HA . 36013 1
2 . 1 1 1 1 TYR HB2 H 1 3.1390 0.0000 . 2 . . . A 392 TYR HB2 . 36013 1
3 . 1 1 1 1 TYR HB3 H 1 3.1050 0.0000 . 2 . . . A 392 TYR HB3 . 36013 1
4 . 1 1 1 1 TYR HD1 H 1 7.1310 0.0000 . 3 . . . A 392 TYR HD1 . 36013 1
5 . 1 1 1 1 TYR HE1 H 1 6.8380 0.0000 . 3 . . . A 392 TYR HE1 . 36013 1
6 . 1 1 1 1 TYR CA C 13 57.0430 0.0000 . 1 . . . A 392 TYR CA . 36013 1
7 . 1 1 1 1 TYR CB C 13 38.7060 0.0000 . 1 . . . A 392 TYR CB . 36013 1
8 . 1 1 1 1 TYR CD1 C 13 134.0560 0.0000 . 3 . . . A 392 TYR CD1 . 36013 1
9 . 1 1 1 1 TYR CE1 C 13 118.7760 0.0000 . 3 . . . A 392 TYR CE1 . 36013 1
10 . 1 1 2 2 VAL HA H 1 4.0560 0.0000 . 1 . . . A 393 VAL HA . 36013 1
11 . 1 1 2 2 VAL HB H 1 2.0280 0.0000 . 1 . . . A 393 VAL HB . 36013 1
12 . 1 1 2 2 VAL HG11 H 1 0.9420 0.0000 . 2 . . . A 393 VAL HG11 . 36013 1
13 . 1 1 2 2 VAL HG12 H 1 0.9420 0.0000 . 2 . . . A 393 VAL HG12 . 36013 1
14 . 1 1 2 2 VAL HG13 H 1 0.9420 0.0000 . 2 . . . A 393 VAL HG13 . 36013 1
15 . 1 1 2 2 VAL HG21 H 1 0.9200 0.0000 . 2 . . . A 393 VAL HG21 . 36013 1
16 . 1 1 2 2 VAL HG22 H 1 0.9200 0.0000 . 2 . . . A 393 VAL HG22 . 36013 1
17 . 1 1 2 2 VAL HG23 H 1 0.9200 0.0000 . 2 . . . A 393 VAL HG23 . 36013 1
18 . 1 1 2 2 VAL C C 13 175.7640 0.0000 . 1 . . . A 393 VAL C . 36013 1
19 . 1 1 2 2 VAL CA C 13 63.1550 0.0000 . 1 . . . A 393 VAL CA . 36013 1
20 . 1 1 2 2 VAL CB C 13 32.5940 0.0000 . 1 . . . A 393 VAL CB . 36013 1
21 . 1 1 2 2 VAL CG1 C 13 23.0110 0.0000 . 2 . . . A 393 VAL CG1 . 36013 1
22 . 1 1 2 2 VAL CG2 C 13 23.0110 0.0000 . 2 . . . A 393 VAL CG2 . 36013 1
23 . 1 1 3 3 GLY H H 1 8.3820 0.0000 . 1 . . . A 394 GLY H . 36013 1
24 . 1 1 3 3 GLY HA2 H 1 4.0700 0.0000 . 2 . . . A 394 GLY HA2 . 36013 1
25 . 1 1 3 3 GLY HA3 H 1 3.9240 0.0000 . 2 . . . A 394 GLY HA3 . 36013 1
26 . 1 1 3 3 GLY C C 13 174.2290 0.0000 . 1 . . . A 394 GLY C . 36013 1
27 . 1 1 3 3 GLY CA C 13 44.8180 0.0000 . 1 . . . A 394 GLY CA . 36013 1
28 . 1 1 3 3 GLY N N 15 114.6530 0.0000 . 1 . . . A 394 GLY N . 36013 1
29 . 1 1 4 4 GLU H H 1 8.1640 0.0000 . 1 . . . A 395 GLU H . 36013 1
30 . 1 1 4 4 GLU HA H 1 4.2200 0.0000 . 1 . . . A 395 GLU HA . 36013 1
31 . 1 1 4 4 GLU HB2 H 1 1.9710 0.0000 . 2 . . . A 395 GLU HB2 . 36013 1
32 . 1 1 4 4 GLU HB3 H 1 1.7490 0.0000 . 2 . . . A 395 GLU HB3 . 36013 1
33 . 1 1 4 4 GLU HG2 H 1 2.1950 0.0000 . 2 . . . A 395 GLU HG2 . 36013 1
34 . 1 1 4 4 GLU C C 13 176.3520 0.0000 . 1 . . . A 395 GLU C . 36013 1
35 . 1 1 4 4 GLU CA C 13 57.0430 0.0000 . 1 . . . A 395 GLU CA . 36013 1
36 . 1 1 4 4 GLU CB C 13 30.1490 0.0000 . 1 . . . A 395 GLU CB . 36013 1
37 . 1 1 4 4 GLU CG C 13 36.2610 0.0000 . 1 . . . A 395 GLU CG . 36013 1
38 . 1 1 4 4 GLU N N 15 121.6780 0.0000 . 1 . . . A 395 GLU N . 36013 1
39 . 1 1 5 5 ASP H H 1 8.3680 0.0000 . 1 . . . A 396 ASP H . 36013 1
40 . 1 1 5 5 ASP HA H 1 4.5940 0.0000 . 1 . . . A 396 ASP HA . 36013 1
41 . 1 1 5 5 ASP HB2 H 1 2.6870 0.0000 . 2 . . . A 396 ASP HB2 . 36013 1
42 . 1 1 5 5 ASP HB3 H 1 2.5970 0.0000 . 2 . . . A 396 ASP HB3 . 36013 1
43 . 1 1 5 5 ASP C C 13 175.7780 0.0000 . 1 . . . A 396 ASP C . 36013 1
44 . 1 1 5 5 ASP CA C 13 54.5980 0.0000 . 1 . . . A 396 ASP CA . 36013 1
45 . 1 1 5 5 ASP CB C 13 41.1510 0.0000 . 1 . . . A 396 ASP CB . 36013 1
46 . 1 1 5 5 ASP N N 15 121.2040 0.0000 . 1 . . . A 396 ASP N . 36013 1
47 . 1 1 6 6 ASP H H 1 8.1130 0.0000 . 1 . . . A 397 ASP H . 36013 1
48 . 1 1 6 6 ASP HA H 1 4.5550 0.0000 . 1 . . . A 397 ASP HA . 36013 1
49 . 1 1 6 6 ASP HB2 H 1 2.6330 0.0000 . 2 . . . A 397 ASP HB2 . 36013 1
50 . 1 1 6 6 ASP C C 13 176.1280 0.0000 . 1 . . . A 397 ASP C . 36013 1
51 . 1 1 6 6 ASP CA C 13 54.5980 0.0000 . 1 . . . A 397 ASP CA . 36013 1
52 . 1 1 6 6 ASP CB C 13 41.1510 0.0000 . 1 . . . A 397 ASP CB . 36013 1
53 . 1 1 6 6 ASP N N 15 121.3490 0.0000 . 1 . . . A 397 ASP N . 36013 1
54 . 1 1 7 7 GLU H H 1 8.2340 0.0000 . 1 . . . A 398 GLU H . 36013 1
55 . 1 1 7 7 GLU HA H 1 4.2500 0.0000 . 1 . . . A 398 GLU HA . 36013 1
56 . 1 1 7 7 GLU HB2 H 1 2.0440 0.0000 . 2 . . . A 398 GLU HB2 . 36013 1
57 . 1 1 7 7 GLU HB3 H 1 1.9150 0.0000 . 2 . . . A 398 GLU HB3 . 36013 1
58 . 1 1 7 7 GLU HG2 H 1 2.2470 0.0000 . 2 . . . A 398 GLU HG2 . 36013 1
59 . 1 1 7 7 GLU C C 13 176.4390 0.0000 . 1 . . . A 398 GLU C . 36013 1
60 . 1 1 7 7 GLU CA C 13 56.5470 0.0000 . 1 . . . A 398 GLU CA . 36013 1
61 . 1 1 7 7 GLU CB C 13 30.1490 0.0000 . 1 . . . A 398 GLU CB . 36013 1
62 . 1 1 7 7 GLU CG C 13 36.2610 0.0000 . 1 . . . A 398 GLU CG . 36013 1
63 . 1 1 7 7 GLU N N 15 121.8650 0.0000 . 1 . . . A 398 GLU N . 36013 1
64 . 1 1 8 8 GLU H H 1 8.3520 0.0000 . 1 . . . A 399 GLU H . 36013 1
65 . 1 1 8 8 GLU HA H 1 4.2700 0.0000 . 1 . . . A 399 GLU HA . 36013 1
66 . 1 1 8 8 GLU HB2 H 1 2.0440 0.0000 . 2 . . . A 399 GLU HB2 . 36013 1
67 . 1 1 8 8 GLU HB3 H 1 1.9150 0.0000 . 2 . . . A 399 GLU HB3 . 36013 1
68 . 1 1 8 8 GLU HG2 H 1 2.2370 0.0000 . 2 . . . A 399 GLU HG2 . 36013 1
69 . 1 1 8 8 GLU C C 13 176.0860 0.0000 . 1 . . . A 399 GLU C . 36013 1
70 . 1 1 8 8 GLU CA C 13 56.4310 0.0000 . 1 . . . A 399 GLU CA . 36013 1
71 . 1 1 8 8 GLU CB C 13 30.1490 0.0000 . 1 . . . A 399 GLU CB . 36013 1
72 . 1 1 8 8 GLU CG C 13 36.2610 0.0000 . 1 . . . A 399 GLU CG . 36013 1
73 . 1 1 8 8 GLU N N 15 122.8760 0.0000 . 1 . . . A 399 GLU N . 36013 1
74 . 1 1 9 9 ASP H H 1 8.3200 0.0000 . 1 . . . A 400 ASP H . 36013 1
75 . 1 1 9 9 ASP HA H 1 4.5900 0.0000 . 1 . . . A 400 ASP HA . 36013 1
76 . 1 1 9 9 ASP HB2 H 1 2.6780 0.0000 . 2 . . . A 400 ASP HB2 . 36013 1
77 . 1 1 9 9 ASP HB3 H 1 2.6050 0.0000 . 2 . . . A 400 ASP HB3 . 36013 1
78 . 1 1 9 9 ASP C C 13 175.8380 0.0000 . 1 . . . A 400 ASP C . 36013 1
79 . 1 1 9 9 ASP CA C 13 54.5980 0.0000 . 1 . . . A 400 ASP CA . 36013 1
80 . 1 1 9 9 ASP CB C 13 41.1510 0.0000 . 1 . . . A 400 ASP CB . 36013 1
81 . 1 1 9 9 ASP N N 15 122.9340 0.0000 . 1 . . . A 400 ASP N . 36013 1
82 . 1 1 10 10 ASP H H 1 8.2700 0.0000 . 1 . . . A 401 ASP H . 36013 1
83 . 1 1 10 10 ASP HA H 1 4.5960 0.0000 . 1 . . . A 401 ASP HA . 36013 1
84 . 1 1 10 10 ASP HB2 H 1 2.6320 0.0000 . 2 . . . A 401 ASP HB2 . 36013 1
85 . 1 1 10 10 ASP HB3 H 1 2.5740 0.0000 . 2 . . . A 401 ASP HB3 . 36013 1
86 . 1 1 10 10 ASP C C 13 175.8070 0.0000 . 1 . . . A 401 ASP C . 36013 1
87 . 1 1 10 10 ASP CA C 13 53.9870 0.0000 . 1 . . . A 401 ASP CA . 36013 1
88 . 1 1 10 10 ASP CB C 13 41.1510 0.0000 . 1 . . . A 401 ASP CB . 36013 1
89 . 1 1 10 10 ASP N N 15 122.3750 0.0000 . 1 . . . A 401 ASP N . 36013 1
90 . 1 1 11 11 ASP H H 1 8.1100 0.0000 . 1 . . . A 402 ASP H . 36013 1
91 . 1 1 11 11 ASP HA H 1 4.5390 0.0000 . 1 . . . A 402 ASP HA . 36013 1
92 . 1 1 11 11 ASP HB2 H 1 2.5010 0.0000 . 2 . . . A 402 ASP HB2 . 36013 1
93 . 1 1 11 11 ASP HB3 H 1 2.4570 0.0000 . 2 . . . A 402 ASP HB3 . 36013 1
94 . 1 1 11 11 ASP C C 13 175.5630 0.0000 . 1 . . . A 402 ASP C . 36013 1
95 . 1 1 11 11 ASP CA C 13 54.5980 0.0000 . 1 . . . A 402 ASP CA . 36013 1
96 . 1 1 11 11 ASP CB C 13 41.1510 0.0000 . 1 . . . A 402 ASP CB . 36013 1
97 . 1 1 11 11 ASP N N 15 121.8270 0.0000 . 1 . . . A 402 ASP N . 36013 1
98 . 1 1 12 12 PHE H H 1 8.1740 0.0000 . 1 . . . A 403 PHE H . 36013 1
99 . 1 1 12 12 PHE HA H 1 4.4050 0.0000 . 1 . . . A 403 PHE HA . 36013 1
100 . 1 1 12 12 PHE HB2 H 1 3.0020 0.0000 . 1 . . . A 403 PHE HB2 . 36013 1
101 . 1 1 12 12 PHE HB3 H 1 2.8650 0.0000 . 1 . . . A 403 PHE HB3 . 36013 1
102 . 1 1 12 12 PHE HD1 H 1 7.0200 0.0000 . 3 . . . A 403 PHE HD1 . 36013 1
103 . 1 1 12 12 PHE HE1 H 1 7.0500 0.0000 . 3 . . . A 403 PHE HE1 . 36013 1
104 . 1 1 12 12 PHE HZ H 1 6.9390 0.0000 . 1 . . . A 403 PHE HZ . 36013 1
105 . 1 1 12 12 PHE C C 13 175.0210 0.0000 . 1 . . . A 403 PHE C . 36013 1
106 . 1 1 12 12 PHE CA C 13 57.6540 0.0000 . 1 . . . A 403 PHE CA . 36013 1
107 . 1 1 12 12 PHE CB C 13 39.9290 0.0000 . 1 . . . A 403 PHE CB . 36013 1
108 . 1 1 12 12 PHE CD1 C 13 132.2230 0.0000 . 3 . . . A 403 PHE CD1 . 36013 1
109 . 1 1 12 12 PHE CE1 C 13 131.0000 0.0000 . 3 . . . A 403 PHE CE1 . 36013 1
110 . 1 1 12 12 PHE CZ C 13 129.1660 0.0000 . 1 . . . A 403 PHE CZ . 36013 1
111 . 1 1 12 12 PHE N N 15 121.1080 0.0000 . 1 . . . A 403 PHE N . 36013 1
112 . 1 1 13 13 ASN H H 1 8.2760 0.0000 . 1 . . . A 404 ASN H . 36013 1
113 . 1 1 13 13 ASN HA H 1 4.6650 0.0000 . 1 . . . A 404 ASN HA . 36013 1
114 . 1 1 13 13 ASN HB2 H 1 2.7690 0.0000 . 2 . . . A 404 ASN HB2 . 36013 1
115 . 1 1 13 13 ASN HB3 H 1 2.6810 0.0000 . 2 . . . A 404 ASN HB3 . 36013 1
116 . 1 1 13 13 ASN HD21 H 1 7.5360 0.0000 . 2 . . . A 404 ASN HD21 . 36013 1
117 . 1 1 13 13 ASN HD22 H 1 6.8800 0.0000 . 2 . . . A 404 ASN HD22 . 36013 1
118 . 1 1 13 13 ASN C C 13 174.8860 0.0000 . 1 . . . A 404 ASN C . 36013 1
119 . 1 1 13 13 ASN CA C 13 52.7640 0.0000 . 1 . . . A 404 ASN CA . 36013 1
120 . 1 1 13 13 ASN CB C 13 39.3170 0.0000 . 1 . . . A 404 ASN CB . 36013 1
121 . 1 1 13 13 ASN N N 15 122.4760 0.0000 . 1 . . . A 404 ASN N . 36013 1
122 . 1 1 13 13 ASN ND2 N 15 113.9670 0.0000 . 1 . . . A 404 ASN ND2 . 36013 1
123 . 1 1 14 14 GLU H H 1 8.4570 0.0000 . 1 . . . A 405 GLU H . 36013 1
124 . 1 1 14 14 GLU HA H 1 4.2350 0.0000 . 1 . . . A 405 GLU HA . 36013 1
125 . 1 1 14 14 GLU HB2 H 1 2.0440 0.0000 . 2 . . . A 405 GLU HB2 . 36013 1
126 . 1 1 14 14 GLU HB3 H 1 1.9150 0.0000 . 2 . . . A 405 GLU HB3 . 36013 1
127 . 1 1 14 14 GLU HG2 H 1 2.2570 0.0000 . 2 . . . A 405 GLU HG2 . 36013 1
128 . 1 1 14 14 GLU C C 13 175.9690 0.0000 . 1 . . . A 405 GLU C . 36013 1
129 . 1 1 14 14 GLU CA C 13 56.4310 0.0000 . 1 . . . A 405 GLU CA . 36013 1
130 . 1 1 14 14 GLU CB C 13 30.1490 0.0000 . 1 . . . A 405 GLU CB . 36013 1
131 . 1 1 14 14 GLU CG C 13 36.2610 0.0000 . 1 . . . A 405 GLU CG . 36013 1
132 . 1 1 14 14 GLU N N 15 123.3490 0.0000 . 1 . . . A 405 GLU N . 36013 1
133 . 1 1 15 15 ASN H H 1 8.4570 0.0000 . 1 . . . A 406 ASN H . 36013 1
134 . 1 1 15 15 ASN HA H 1 4.7080 0.0000 . 1 . . . A 406 ASN HA . 36013 1
135 . 1 1 15 15 ASN HB2 H 1 2.8260 0.0000 . 2 . . . A 406 ASN HB2 . 36013 1
136 . 1 1 15 15 ASN HB3 H 1 2.7180 0.0000 . 2 . . . A 406 ASN HB3 . 36013 1
137 . 1 1 15 15 ASN HD21 H 1 7.5580 0.0000 . 2 . . . A 406 ASN HD21 . 36013 1
138 . 1 1 15 15 ASN HD22 H 1 6.9150 0.0000 . 2 . . . A 406 ASN HD22 . 36013 1
139 . 1 1 15 15 ASN C C 13 174.8300 0.0000 . 1 . . . A 406 ASN C . 36013 1
140 . 1 1 15 15 ASN CA C 13 53.3750 0.0000 . 1 . . . A 406 ASN CA . 36013 1
141 . 1 1 15 15 ASN CB C 13 39.3170 0.0000 . 1 . . . A 406 ASN CB . 36013 1
142 . 1 1 15 15 ASN N N 15 120.9120 0.0000 . 1 . . . A 406 ASN N . 36013 1
143 . 1 1 15 15 ASN ND2 N 15 114.3150 0.0000 . 1 . . . A 406 ASN ND2 . 36013 1
144 . 1 1 16 16 ASP H H 1 8.3520 0.0000 . 1 . . . A 407 ASP H . 36013 1
145 . 1 1 16 16 ASP HA H 1 4.5810 0.0000 . 1 . . . A 407 ASP HA . 36013 1
146 . 1 1 16 16 ASP HB2 H 1 2.6370 0.0000 . 2 . . . A 407 ASP HB2 . 36013 1
147 . 1 1 16 16 ASP C C 13 176.1780 0.0000 . 1 . . . A 407 ASP C . 36013 1
148 . 1 1 16 16 ASP CA C 13 54.5980 0.0000 . 1 . . . A 407 ASP CA . 36013 1
149 . 1 1 16 16 ASP CB C 13 41.1510 0.0000 . 1 . . . A 407 ASP CB . 36013 1
150 . 1 1 16 16 ASP N N 15 122.7820 0.0000 . 1 . . . A 407 ASP N . 36013 1
151 . 1 1 17 17 GLU H H 1 8.2640 0.0000 . 1 . . . A 408 GLU H . 36013 1
152 . 1 1 17 17 GLU HA H 1 4.2780 0.0000 . 1 . . . A 408 GLU HA . 36013 1
153 . 1 1 17 17 GLU HB2 H 1 2.0780 0.0000 . 2 . . . A 408 GLU HB2 . 36013 1
154 . 1 1 17 17 GLU HB3 H 1 1.9390 0.0000 . 2 . . . A 408 GLU HB3 . 36013 1
155 . 1 1 17 17 GLU HG2 H 1 2.2670 0.0000 . 2 . . . A 408 GLU HG2 . 36013 1
156 . 1 1 17 17 GLU C C 13 176.1130 0.0000 . 1 . . . A 408 GLU C . 36013 1
157 . 1 1 17 17 GLU CA C 13 56.5720 0.0000 . 1 . . . A 408 GLU CA . 36013 1
158 . 1 1 17 17 GLU CB C 13 30.1490 0.0000 . 1 . . . A 408 GLU CB . 36013 1
159 . 1 1 17 17 GLU CG C 13 36.2610 0.0000 . 1 . . . A 408 GLU CG . 36013 1
160 . 1 1 17 17 GLU N N 15 121.5760 0.0000 . 1 . . . A 408 GLU N . 36013 1
161 . 1 1 18 18 ASP H H 1 8.2750 0.0000 . 1 . . . A 409 ASP H . 36013 1
162 . 1 1 18 18 ASP HA H 1 4.6350 0.0000 . 1 . . . A 409 ASP HA . 36013 1
163 . 1 1 18 18 ASP HB2 H 1 2.7400 0.0000 . 2 . . . A 409 ASP HB2 . 36013 1
164 . 1 1 18 18 ASP HB3 H 1 2.5560 0.0000 . 2 . . . A 409 ASP HB3 . 36013 1
165 . 1 1 18 18 ASP C C 13 175.0910 0.0000 . 1 . . . A 409 ASP C . 36013 1
166 . 1 1 18 18 ASP CA C 13 54.5980 0.0000 . 1 . . . A 409 ASP CA . 36013 1
167 . 1 1 18 18 ASP CB C 13 41.1510 0.0000 . 1 . . . A 409 ASP CB . 36013 1
168 . 1 1 18 18 ASP N N 15 122.6270 0.0000 . 1 . . . A 409 ASP N . 36013 1
169 . 1 1 19 19 ASP H H 1 7.8670 0.0000 . 1 . . . A 410 ASP H . 36013 1
170 . 1 1 19 19 ASP HA H 1 4.3570 0.0000 . 1 . . . A 410 ASP HA . 36013 1
171 . 1 1 19 19 ASP HB2 H 1 2.6330 0.0000 . 2 . . . A 410 ASP HB2 . 36013 1
172 . 1 1 19 19 ASP HB3 H 1 2.5570 0.0000 . 2 . . . A 410 ASP HB3 . 36013 1
173 . 1 1 19 19 ASP C C 13 180.8960 0.0000 . 1 . . . A 410 ASP C . 36013 1
174 . 1 1 19 19 ASP CA C 13 55.8200 0.0000 . 1 . . . A 410 ASP CA . 36013 1
175 . 1 1 19 19 ASP CB C 13 42.3740 0.0000 . 1 . . . A 410 ASP CB . 36013 1
176 . 1 1 19 19 ASP N N 15 126.9770 0.0000 . 1 . . . A 410 ASP N . 36013 1
stop_
save_