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 51597
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name (P3-7)3_278K
_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' . . . 51597 1
2 '3D HN(CA)CO' . . . 51597 1
3 '3D HN(CO)CA' . . . 51597 1
4 '3D HNCA' . . . 51597 1
5 '3D HN(CO)CACB' . . . 51597 1
6 '2D CACO' . . . 51597 1
7 '2D CON' . . . 51597 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 . . 51597 1
2 $software_2 . . 51597 1
3 $software_3 . . 51597 1
4 $software_4 . . 51597 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 4 4 GLY H H 1 8.740 0.002 . 1 . . . . . 4 GLY H . 51597 1
2 . 1 . 1 4 4 GLY HA2 H 1 4.011 0.000 . 2 . . . . . 4 GLY HA2 . 51597 1
3 . 1 . 1 4 4 GLY HA3 H 1 3.946 0.000 . 2 . . . . . 4 GLY HA3 . 51597 1
4 . 1 . 1 4 4 GLY C C 13 174.182 0.001 . 1 . . . . . 4 GLY C . 51597 1
5 . 1 . 1 4 4 GLY CA C 13 45.129 0.001 . 1 . . . . . 4 GLY CA . 51597 1
6 . 1 . 1 4 4 GLY N N 15 109.994 0.047 . 1 . . . . . 4 GLY N . 51597 1
7 . 1 . 1 5 5 ALA H H 1 8.352 0.003 . 1 . . . . . 5 ALA H . 51597 1
8 . 1 . 1 5 5 ALA HA H 1 4.310 0.000 . 1 . . . . . 5 ALA HA . 51597 1
9 . 1 . 1 5 5 ALA HB1 H 1 1.430 0.000 . 1 . . . . . 5 ALA HB1 . 51597 1
10 . 1 . 1 5 5 ALA HB2 H 1 1.430 0.000 . 1 . . . . . 5 ALA HB2 . 51597 1
11 . 1 . 1 5 5 ALA HB3 H 1 1.430 0.000 . 1 . . . . . 5 ALA HB3 . 51597 1
12 . 1 . 1 5 5 ALA C C 13 178.617 0.008 . 1 . . . . . 5 ALA C . 51597 1
13 . 1 . 1 5 5 ALA CA C 13 53.133 0.004 . 1 . . . . . 5 ALA CA . 51597 1
14 . 1 . 1 5 5 ALA N N 15 124.229 0.050 . 1 . . . . . 5 ALA N . 51597 1
15 . 1 . 1 6 6 SER H H 1 8.618 0.003 . 1 . . . . . 6 SER H . 51597 1
16 . 1 . 1 6 6 SER HA H 1 4.403 0.000 . 1 . . . . . 6 SER HA . 51597 1
17 . 1 . 1 6 6 SER HB2 H 1 4.084 0.004 . 2 . . . . . 6 SER HB2 . 51597 1
18 . 1 . 1 6 6 SER HB3 H 1 3.965 0.001 . 2 . . . . . 6 SER HB3 . 51597 1
19 . 1 . 1 6 6 SER C C 13 175.466 0.000 . 1 . . . . . 6 SER C . 51597 1
20 . 1 . 1 6 6 SER CA C 13 58.884 0.002 . 1 . . . . . 6 SER CA . 51597 1
21 . 1 . 1 6 6 SER CB C 13 63.616 0.002 . 1 . . . . . 6 SER CB . 51597 1
22 . 1 . 1 6 6 SER N N 15 118.653 4.316 . 1 . . . . . 6 SER N . 51597 1
23 . 1 . 1 7 7 LEU H H 1 8.487 0.001 . 1 . . . . . 7 LEU H . 51597 1
24 . 1 . 1 7 7 LEU HA H 1 4.249 0.000 . 1 . . . . . 7 LEU HA . 51597 1
25 . 1 . 1 7 7 LEU HB2 H 1 1.683 0.001 . 1 . . . . . 7 LEU HB2 . 51597 1
26 . 1 . 1 7 7 LEU C C 13 178.739 0.005 . 1 . . . . . 7 LEU C . 51597 1
27 . 1 . 1 7 7 LEU CA C 13 57.396 0.021 . 1 . . . . . 7 LEU CA . 51597 1
28 . 1 . 1 7 7 LEU CB C 13 41.503 0.000 . 1 . . . . . 7 LEU CB . 51597 1
29 . 1 . 1 7 7 LEU N N 15 124.741 0.050 . 1 . . . . . 7 LEU N . 51597 1
30 . 1 . 1 8 8 ALA H H 1 8.366 0.002 . 1 . . . . . 8 ALA H . 51597 1
31 . 1 . 1 8 8 ALA HA H 1 4.188 0.000 . 1 . . . . . 8 ALA HA . 51597 1
32 . 1 . 1 8 8 ALA HB1 H 1 1.438 0.003 . 1 . . . . . 8 ALA HB1 . 51597 1
33 . 1 . 1 8 8 ALA HB2 H 1 1.438 0.003 . 1 . . . . . 8 ALA HB2 . 51597 1
34 . 1 . 1 8 8 ALA HB3 H 1 1.438 0.003 . 1 . . . . . 8 ALA HB3 . 51597 1
35 . 1 . 1 8 8 ALA C C 13 180.515 0.002 . 1 . . . . . 8 ALA C . 51597 1
36 . 1 . 1 8 8 ALA CA C 13 54.770 0.017 . 1 . . . . . 8 ALA CA . 51597 1
37 . 1 . 1 8 8 ALA CB C 13 18.113 0.000 . 1 . . . . . 8 ALA CB . 51597 1
38 . 1 . 1 8 8 ALA N N 15 121.792 0.042 . 1 . . . . . 8 ALA N . 51597 1
39 . 1 . 1 9 9 ALA H H 1 8.150 0.001 . 1 . . . . . 9 ALA H . 51597 1
40 . 1 . 1 9 9 ALA HA H 1 4.216 0.000 . 1 . . . . . 9 ALA HA . 51597 1
41 . 1 . 1 9 9 ALA HB1 H 1 1.519 0.000 . 1 . . . . . 9 ALA HB1 . 51597 1
42 . 1 . 1 9 9 ALA HB2 H 1 1.519 0.000 . 1 . . . . . 9 ALA HB2 . 51597 1
43 . 1 . 1 9 9 ALA HB3 H 1 1.519 0.000 . 1 . . . . . 9 ALA HB3 . 51597 1
44 . 1 . 1 9 9 ALA C C 13 180.706 0.004 . 1 . . . . . 9 ALA C . 51597 1
45 . 1 . 1 9 9 ALA CA C 13 54.741 0.014 . 1 . . . . . 9 ALA CA . 51597 1
46 . 1 . 1 9 9 ALA N N 15 122.210 0.047 . 1 . . . . . 9 ALA N . 51597 1
47 . 1 . 1 10 10 LEU H H 1 8.137 0.001 . 1 . . . . . 10 LEU H . 51597 1
48 . 1 . 1 10 10 LEU HA H 1 4.210 0.000 . 1 . . . . . 10 LEU HA . 51597 1
49 . 1 . 1 10 10 LEU HB2 H 1 1.838 0.000 . 2 . . . . . 10 LEU HB2 . 51597 1
50 . 1 . 1 10 10 LEU HB3 H 1 1.736 0.000 . 2 . . . . . 10 LEU HB3 . 51597 1
51 . 1 . 1 10 10 LEU HD11 H 1 0.922 0.000 . 1 . . . . . 10 LEU HD11 . 51597 1
52 . 1 . 1 10 10 LEU HD12 H 1 0.922 0.000 . 1 . . . . . 10 LEU HD12 . 51597 1
53 . 1 . 1 10 10 LEU HD13 H 1 0.922 0.000 . 1 . . . . . 10 LEU HD13 . 51597 1
54 . 1 . 1 10 10 LEU C C 13 179.604 0.003 . 1 . . . . . 10 LEU C . 51597 1
55 . 1 . 1 10 10 LEU CA C 13 57.788 0.024 . 1 . . . . . 10 LEU CA . 51597 1
56 . 1 . 1 10 10 LEU CB C 13 41.638 0.000 . 1 . . . . . 10 LEU CB . 51597 1
57 . 1 . 1 10 10 LEU CD1 C 13 24.680 0.000 . 1 . . . . . 10 LEU CD1 . 51597 1
58 . 1 . 1 10 10 LEU N N 15 121.538 0.032 . 1 . . . . . 10 LEU N . 51597 1
59 . 1 . 1 11 11 GLN H H 1 8.527 0.001 . 1 . . . . . 11 GLN H . 51597 1
60 . 1 . 1 11 11 GLN HA H 1 4.113 0.000 . 1 . . . . . 11 GLN HA . 51597 1
61 . 1 . 1 11 11 GLN HB2 H 1 2.223 0.000 . 2 . . . . . 11 GLN HB2 . 51597 1
62 . 1 . 1 11 11 GLN HB3 H 1 2.078 0.000 . 2 . . . . . 11 GLN HB3 . 51597 1
63 . 1 . 1 11 11 GLN HG2 H 1 2.594 0.000 . 2 . . . . . 11 GLN HG2 . 51597 1
64 . 1 . 1 11 11 GLN HG3 H 1 2.432 0.000 . 2 . . . . . 11 GLN HG3 . 51597 1
65 . 1 . 1 11 11 GLN HE21 H 1 7.608 0.000 . 1 . . . . . 11 GLN HE21 . 51597 1
66 . 1 . 1 11 11 GLN C C 13 179.201 0.011 . 1 . . . . . 11 GLN C . 51597 1
67 . 1 . 1 11 11 GLN CA C 13 58.827 0.030 . 1 . . . . . 11 GLN CA . 51597 1
68 . 1 . 1 11 11 GLN CB C 13 28.058 0.002 . 1 . . . . . 11 GLN CB . 51597 1
69 . 1 . 1 11 11 GLN CG C 13 34.154 0.000 . 1 . . . . . 11 GLN CG . 51597 1
70 . 1 . 1 11 11 GLN N N 15 119.516 0.038 . 1 . . . . . 11 GLN N . 51597 1
71 . 1 . 1 11 11 GLN NE2 N 15 111.684 0.000 . 1 . . . . . 11 GLN NE2 . 51597 1
72 . 1 . 1 12 12 ALA H H 1 8.143 0.002 . 1 . . . . . 12 ALA H . 51597 1
73 . 1 . 1 12 12 ALA HA H 1 4.250 0.000 . 1 . . . . . 12 ALA HA . 51597 1
74 . 1 . 1 12 12 ALA HB1 H 1 1.525 0.000 . 1 . . . . . 12 ALA HB1 . 51597 1
75 . 1 . 1 12 12 ALA HB2 H 1 1.525 0.000 . 1 . . . . . 12 ALA HB2 . 51597 1
76 . 1 . 1 12 12 ALA HB3 H 1 1.525 0.000 . 1 . . . . . 12 ALA HB3 . 51597 1
77 . 1 . 1 12 12 ALA C C 13 180.530 0.003 . 1 . . . . . 12 ALA C . 51597 1
78 . 1 . 1 12 12 ALA CA C 13 54.919 0.006 . 1 . . . . . 12 ALA CA . 51597 1
79 . 1 . 1 12 12 ALA N N 15 123.048 0.035 . 1 . . . . . 12 ALA N . 51597 1
80 . 1 . 1 13 13 LEU H H 1 7.968 0.001 . 1 . . . . . 13 LEU H . 51597 1
81 . 1 . 1 13 13 LEU HA H 1 4.268 0.000 . 1 . . . . . 13 LEU HA . 51597 1
82 . 1 . 1 13 13 LEU HB2 H 1 1.881 0.000 . 2 . . . . . 13 LEU HB2 . 51597 1
83 . 1 . 1 13 13 LEU HB3 H 1 1.802 0.000 . 2 . . . . . 13 LEU HB3 . 51597 1
84 . 1 . 1 13 13 LEU HG H 1 1.666 0.000 . 1 . . . . . 13 LEU HG . 51597 1
85 . 1 . 1 13 13 LEU HD11 H 1 0.951 0.000 . 1 . . . . . 13 LEU HD11 . 51597 1
86 . 1 . 1 13 13 LEU HD12 H 1 0.951 0.000 . 1 . . . . . 13 LEU HD12 . 51597 1
87 . 1 . 1 13 13 LEU HD13 H 1 0.951 0.000 . 1 . . . . . 13 LEU HD13 . 51597 1
88 . 1 . 1 13 13 LEU C C 13 179.295 0.012 . 1 . . . . . 13 LEU C . 51597 1
89 . 1 . 1 13 13 LEU CA C 13 57.876 0.028 . 1 . . . . . 13 LEU CA . 51597 1
90 . 1 . 1 13 13 LEU CB C 13 41.861 0.000 . 1 . . . . . 13 LEU CB . 51597 1
91 . 1 . 1 13 13 LEU CG C 13 26.931 0.000 . 1 . . . . . 13 LEU CG . 51597 1
92 . 1 . 1 13 13 LEU CD1 C 13 24.642 0.000 . 1 . . . . . 13 LEU CD1 . 51597 1
93 . 1 . 1 13 13 LEU N N 15 121.560 0.035 . 1 . . . . . 13 LEU N . 51597 1
94 . 1 . 1 14 14 GLN H H 1 8.368 0.002 . 1 . . . . . 14 GLN H . 51597 1
95 . 1 . 1 14 14 GLN HA H 1 4.107 0.000 . 1 . . . . . 14 GLN HA . 51597 1
96 . 1 . 1 14 14 GLN HB2 H 1 2.231 0.000 . 2 . . . . . 14 GLN HB2 . 51597 1
97 . 1 . 1 14 14 GLN HB3 H 1 2.107 0.000 . 2 . . . . . 14 GLN HB3 . 51597 1
98 . 1 . 1 14 14 GLN HG2 H 1 2.440 0.000 . 2 . . . . . 14 GLN HG2 . 51597 1
99 . 1 . 1 14 14 GLN HG3 H 1 2.614 0.000 . 2 . . . . . 14 GLN HG3 . 51597 1
100 . 1 . 1 14 14 GLN HE21 H 1 7.593 0.000 . 1 . . . . . 14 GLN HE21 . 51597 1
101 . 1 . 1 14 14 GLN C C 13 179.262 0.005 . 1 . . . . . 14 GLN C . 51597 1
102 . 1 . 1 14 14 GLN CA C 13 58.840 0.011 . 1 . . . . . 14 GLN CA . 51597 1
103 . 1 . 1 14 14 GLN CB C 13 28.035 0.000 . 1 . . . . . 14 GLN CB . 51597 1
104 . 1 . 1 14 14 GLN CG C 13 34.177 0.000 . 1 . . . . . 14 GLN CG . 51597 1
105 . 1 . 1 14 14 GLN N N 15 119.281 0.030 . 1 . . . . . 14 GLN N . 51597 1
106 . 1 . 1 14 14 GLN NE2 N 15 111.389 0.000 . 1 . . . . . 14 GLN NE2 . 51597 1
107 . 1 . 1 15 15 ALA H H 1 8.154 0.001 . 1 . . . . . 15 ALA H . 51597 1
108 . 1 . 1 15 15 ALA HA H 1 4.250 0.000 . 1 . . . . . 15 ALA HA . 51597 1
109 . 1 . 1 15 15 ALA HB1 H 1 1.535 0.001 . 1 . . . . . 15 ALA HB1 . 51597 1
110 . 1 . 1 15 15 ALA HB2 H 1 1.535 0.001 . 1 . . . . . 15 ALA HB2 . 51597 1
111 . 1 . 1 15 15 ALA HB3 H 1 1.535 0.001 . 1 . . . . . 15 ALA HB3 . 51597 1
112 . 1 . 1 15 15 ALA C C 13 180.517 0.002 . 1 . . . . . 15 ALA C . 51597 1
113 . 1 . 1 15 15 ALA CA C 13 54.926 0.002 . 1 . . . . . 15 ALA CA . 51597 1
114 . 1 . 1 15 15 ALA CB C 13 17.806 0.000 . 1 . . . . . 15 ALA CB . 51597 1
115 . 1 . 1 15 15 ALA N N 15 122.858 0.041 . 1 . . . . . 15 ALA N . 51597 1
116 . 1 . 1 16 16 LEU H H 1 7.965 0.001 . 1 . . . . . 16 LEU H . 51597 1
117 . 1 . 1 16 16 LEU HA H 1 4.269 0.000 . 1 . . . . . 16 LEU HA . 51597 1
118 . 1 . 1 16 16 LEU HB2 H 1 1.899 0.000 . 2 . . . . . 16 LEU HB2 . 51597 1
119 . 1 . 1 16 16 LEU HB3 H 1 1.796 0.000 . 2 . . . . . 16 LEU HB3 . 51597 1
120 . 1 . 1 16 16 LEU HG H 1 1.656 0.000 . 1 . . . . . 16 LEU HG . 51597 1
121 . 1 . 1 16 16 LEU HD11 H 1 0.951 0.000 . 1 . . . . . 16 LEU HD11 . 51597 1
122 . 1 . 1 16 16 LEU HD12 H 1 0.951 0.000 . 1 . . . . . 16 LEU HD12 . 51597 1
123 . 1 . 1 16 16 LEU HD13 H 1 0.951 0.000 . 1 . . . . . 16 LEU HD13 . 51597 1
124 . 1 . 1 16 16 LEU C C 13 179.424 0.005 . 1 . . . . . 16 LEU C . 51597 1
125 . 1 . 1 16 16 LEU CA C 13 57.917 0.016 . 1 . . . . . 16 LEU CA . 51597 1
126 . 1 . 1 16 16 LEU CB C 13 41.835 0.000 . 1 . . . . . 16 LEU CB . 51597 1
127 . 1 . 1 16 16 LEU CG C 13 26.959 0.000 . 1 . . . . . 16 LEU CG . 51597 1
128 . 1 . 1 16 16 LEU CD1 C 13 24.660 0.000 . 1 . . . . . 16 LEU CD1 . 51597 1
129 . 1 . 1 16 16 LEU N N 15 121.687 0.023 . 1 . . . . . 16 LEU N . 51597 1
130 . 1 . 1 17 17 GLN H H 1 8.472 0.002 . 1 . . . . . 17 GLN H . 51597 1
131 . 1 . 1 17 17 GLN HA H 1 4.098 0.000 . 1 . . . . . 17 GLN HA . 51597 1
132 . 1 . 1 17 17 GLN HB2 H 1 2.247 0.000 . 2 . . . . . 17 GLN HB2 . 51597 1
133 . 1 . 1 17 17 GLN HB3 H 1 2.085 0.000 . 2 . . . . . 17 GLN HB3 . 51597 1
134 . 1 . 1 17 17 GLN HG2 H 1 2.634 0.000 . 2 . . . . . 17 GLN HG2 . 51597 1
135 . 1 . 1 17 17 GLN HG3 H 1 2.439 0.000 . 2 . . . . . 17 GLN HG3 . 51597 1
136 . 1 . 1 17 17 GLN HE21 H 1 7.590 0.000 . 1 . . . . . 17 GLN HE21 . 51597 1
137 . 1 . 1 17 17 GLN C C 13 179.325 0.009 . 1 . . . . . 17 GLN C . 51597 1
138 . 1 . 1 17 17 GLN CA C 13 58.875 0.032 . 1 . . . . . 17 GLN CA . 51597 1
139 . 1 . 1 17 17 GLN CB C 13 28.050 0.000 . 1 . . . . . 17 GLN CB . 51597 1
140 . 1 . 1 17 17 GLN CG C 13 34.188 0.000 . 1 . . . . . 17 GLN CG . 51597 1
141 . 1 . 1 17 17 GLN N N 15 119.161 0.035 . 1 . . . . . 17 GLN N . 51597 1
142 . 1 . 1 17 17 GLN NE2 N 15 111.276 0.000 . 1 . . . . . 17 GLN NE2 . 51597 1
143 . 1 . 1 18 18 ALA H H 1 8.154 0.001 . 1 . . . . . 18 ALA H . 51597 1
144 . 1 . 1 18 18 ALA HA H 1 4.250 0.000 . 1 . . . . . 18 ALA HA . 51597 1
145 . 1 . 1 18 18 ALA HB1 H 1 1.535 0.000 . 1 . . . . . 18 ALA HB1 . 51597 1
146 . 1 . 1 18 18 ALA HB2 H 1 1.535 0.000 . 1 . . . . . 18 ALA HB2 . 51597 1
147 . 1 . 1 18 18 ALA HB3 H 1 1.535 0.000 . 1 . . . . . 18 ALA HB3 . 51597 1
148 . 1 . 1 18 18 ALA C C 13 180.465 0.000 . 1 . . . . . 18 ALA C . 51597 1
149 . 1 . 1 18 18 ALA CA C 13 54.871 0.013 . 1 . . . . . 18 ALA CA . 51597 1
150 . 1 . 1 18 18 ALA CB C 13 17.805 0.000 . 1 . . . . . 18 ALA CB . 51597 1
151 . 1 . 1 18 18 ALA N N 15 122.910 0.047 . 1 . . . . . 18 ALA N . 51597 1
152 . 1 . 1 19 19 LEU H H 1 7.925 0.001 . 1 . . . . . 19 LEU H . 51597 1
153 . 1 . 1 19 19 LEU HA H 1 4.246 0.000 . 1 . . . . . 19 LEU HA . 51597 1
154 . 1 . 1 19 19 LEU HB2 H 1 1.874 0.000 . 1 . . . . . 19 LEU HB2 . 51597 1
155 . 1 . 1 19 19 LEU HD11 H 1 0.973 0.000 . 1 . . . . . 19 LEU HD11 . 51597 1
156 . 1 . 1 19 19 LEU HD12 H 1 0.973 0.000 . 1 . . . . . 19 LEU HD12 . 51597 1
157 . 1 . 1 19 19 LEU HD13 H 1 0.973 0.000 . 1 . . . . . 19 LEU HD13 . 51597 1
158 . 1 . 1 19 19 LEU C C 13 179.538 0.005 . 1 . . . . . 19 LEU C . 51597 1
159 . 1 . 1 19 19 LEU CA C 13 57.857 0.045 . 1 . . . . . 19 LEU CA . 51597 1
160 . 1 . 1 19 19 LEU CB C 13 41.859 0.000 . 1 . . . . . 19 LEU CB . 51597 1
161 . 1 . 1 19 19 LEU CD1 C 13 24.184 0.000 . 1 . . . . . 19 LEU CD1 . 51597 1
162 . 1 . 1 19 19 LEU N N 15 121.436 0.061 . 1 . . . . . 19 LEU N . 51597 1
163 . 1 . 1 20 20 GLN H H 1 8.473 0.001 . 1 . . . . . 20 GLN H . 51597 1
164 . 1 . 1 20 20 GLN HA H 1 4.098 0.000 . 1 . . . . . 20 GLN HA . 51597 1
165 . 1 . 1 20 20 GLN HB2 H 1 2.085 0.000 . 2 . . . . . 20 GLN HB2 . 51597 1
166 . 1 . 1 20 20 GLN HB3 H 1 2.250 0.000 . 2 . . . . . 20 GLN HB3 . 51597 1
167 . 1 . 1 20 20 GLN HG2 H 1 2.445 0.000 . 2 . . . . . 20 GLN HG2 . 51597 1
168 . 1 . 1 20 20 GLN HG3 H 1 2.634 0.000 . 2 . . . . . 20 GLN HG3 . 51597 1
169 . 1 . 1 20 20 GLN HE21 H 1 7.591 0.000 . 1 . . . . . 20 GLN HE21 . 51597 1
170 . 1 . 1 20 20 GLN C C 13 179.113 0.013 . 1 . . . . . 20 GLN C . 51597 1
171 . 1 . 1 20 20 GLN CA C 13 58.715 0.023 . 1 . . . . . 20 GLN CA . 51597 1
172 . 1 . 1 20 20 GLN CB C 13 28.012 0.000 . 1 . . . . . 20 GLN CB . 51597 1
173 . 1 . 1 20 20 GLN CG C 13 34.209 0.000 . 1 . . . . . 20 GLN CG . 51597 1
174 . 1 . 1 20 20 GLN N N 15 119.170 0.037 . 1 . . . . . 20 GLN N . 51597 1
175 . 1 . 1 20 20 GLN NE2 N 15 111.275 0.000 . 1 . . . . . 20 GLN NE2 . 51597 1
176 . 1 . 1 21 21 ALA H H 1 8.117 0.002 . 1 . . . . . 21 ALA H . 51597 1
177 . 1 . 1 21 21 ALA HA H 1 4.262 0.000 . 1 . . . . . 21 ALA HA . 51597 1
178 . 1 . 1 21 21 ALA HB1 H 1 1.526 0.000 . 1 . . . . . 21 ALA HB1 . 51597 1
179 . 1 . 1 21 21 ALA HB2 H 1 1.526 0.000 . 1 . . . . . 21 ALA HB2 . 51597 1
180 . 1 . 1 21 21 ALA HB3 H 1 1.526 0.000 . 1 . . . . . 21 ALA HB3 . 51597 1
181 . 1 . 1 21 21 ALA C C 13 180.455 0.003 . 1 . . . . . 21 ALA C . 51597 1
182 . 1 . 1 21 21 ALA CA C 13 54.794 0.024 . 1 . . . . . 21 ALA CA . 51597 1
183 . 1 . 1 21 21 ALA CB C 13 18.314 0.000 . 1 . . . . . 21 ALA CB . 51597 1
184 . 1 . 1 21 21 ALA N N 15 122.707 0.041 . 1 . . . . . 21 ALA N . 51597 1
185 . 1 . 1 22 22 LEU H H 1 7.912 0.001 . 1 . . . . . 22 LEU H . 51597 1
186 . 1 . 1 22 22 LEU HA H 1 4.236 0.000 . 1 . . . . . 22 LEU HA . 51597 1
187 . 1 . 1 22 22 LEU HB2 H 1 1.742 0.000 . 2 . . . . . 22 LEU HB2 . 51597 1
188 . 1 . 1 22 22 LEU HB3 H 1 1.842 0.001 . 2 . . . . . 22 LEU HB3 . 51597 1
189 . 1 . 1 22 22 LEU HD11 H 1 0.950 0.003 . 1 . . . . . 22 LEU HD11 . 51597 1
190 . 1 . 1 22 22 LEU HD12 H 1 0.950 0.003 . 1 . . . . . 22 LEU HD12 . 51597 1
191 . 1 . 1 22 22 LEU HD13 H 1 0.950 0.003 . 1 . . . . . 22 LEU HD13 . 51597 1
192 . 1 . 1 22 22 LEU C C 13 179.472 0.003 . 1 . . . . . 22 LEU C . 51597 1
193 . 1 . 1 22 22 LEU CA C 13 57.693 0.038 . 1 . . . . . 22 LEU CA . 51597 1
194 . 1 . 1 22 22 LEU CB C 13 41.651 0.000 . 1 . . . . . 22 LEU CB . 51597 1
195 . 1 . 1 22 22 LEU CD1 C 13 24.657 0.000 . 1 . . . . . 22 LEU CD1 . 51597 1
196 . 1 . 1 22 22 LEU N N 15 121.516 0.045 . 1 . . . . . 22 LEU N . 51597 1
197 . 1 . 1 23 23 GLN H H 1 8.338 0.001 . 1 . . . . . 23 GLN H . 51597 1
198 . 1 . 1 23 23 GLN HA H 1 4.098 0.000 . 1 . . . . . 23 GLN HA . 51597 1
199 . 1 . 1 23 23 GLN HB2 H 1 2.103 0.000 . 2 . . . . . 23 GLN HB2 . 51597 1
200 . 1 . 1 23 23 GLN HB3 H 1 2.196 0.000 . 2 . . . . . 23 GLN HB3 . 51597 1
201 . 1 . 1 23 23 GLN HG2 H 1 2.421 0.000 . 2 . . . . . 23 GLN HG2 . 51597 1
202 . 1 . 1 23 23 GLN HG3 H 1 2.594 0.000 . 2 . . . . . 23 GLN HG3 . 51597 1
203 . 1 . 1 23 23 GLN HE21 H 1 7.581 0.000 . 1 . . . . . 23 GLN HE21 . 51597 1
204 . 1 . 1 23 23 GLN C C 13 178.777 0.006 . 1 . . . . . 23 GLN C . 51597 1
205 . 1 . 1 23 23 GLN CA C 13 58.261 0.002 . 1 . . . . . 23 GLN CA . 51597 1
206 . 1 . 1 23 23 GLN CB C 13 28.161 0.000 . 1 . . . . . 23 GLN CB . 51597 1
207 . 1 . 1 23 23 GLN CG C 13 34.179 0.000 . 1 . . . . . 23 GLN CG . 51597 1
208 . 1 . 1 23 23 GLN N N 15 119.042 0.040 . 1 . . . . . 23 GLN N . 51597 1
209 . 1 . 1 23 23 GLN NE2 N 15 111.509 0.000 . 1 . . . . . 23 GLN NE2 . 51597 1
210 . 1 . 1 24 24 ALA H H 1 8.200 0.001 . 1 . . . . . 24 ALA H . 51597 1
211 . 1 . 1 24 24 ALA HA H 1 4.230 0.000 . 1 . . . . . 24 ALA HA . 51597 1
212 . 1 . 1 24 24 ALA HB1 H 1 1.503 0.000 . 1 . . . . . 24 ALA HB1 . 51597 1
213 . 1 . 1 24 24 ALA HB2 H 1 1.503 0.000 . 1 . . . . . 24 ALA HB2 . 51597 1
214 . 1 . 1 24 24 ALA HB3 H 1 1.503 0.000 . 1 . . . . . 24 ALA HB3 . 51597 1
215 . 1 . 1 24 24 ALA C C 13 179.688 0.002 . 1 . . . . . 24 ALA C . 51597 1
216 . 1 . 1 24 24 ALA CA C 13 54.316 0.010 . 1 . . . . . 24 ALA CA . 51597 1
217 . 1 . 1 24 24 ALA CB C 13 18.093 0.000 . 1 . . . . . 24 ALA CB . 51597 1
218 . 1 . 1 24 24 ALA N N 15 122.767 0.040 . 1 . . . . . 24 ALA N . 51597 1
219 . 1 . 1 25 25 ALA H H 1 7.952 0.001 . 1 . . . . . 25 ALA H . 51597 1
220 . 1 . 1 25 25 ALA HA H 1 4.250 0.000 . 1 . . . . . 25 ALA HA . 51597 1
221 . 1 . 1 25 25 ALA HB1 H 1 1.529 0.000 . 1 . . . . . 25 ALA HB1 . 51597 1
222 . 1 . 1 25 25 ALA HB2 H 1 1.529 0.000 . 1 . . . . . 25 ALA HB2 . 51597 1
223 . 1 . 1 25 25 ALA HB3 H 1 1.529 0.000 . 1 . . . . . 25 ALA HB3 . 51597 1
224 . 1 . 1 25 25 ALA C C 13 179.748 0.007 . 1 . . . . . 25 ALA C . 51597 1
225 . 1 . 1 25 25 ALA CA C 13 54.095 0.051 . 1 . . . . . 25 ALA CA . 51597 1
226 . 1 . 1 25 25 ALA CB C 13 17.801 0.000 . 1 . . . . . 25 ALA CB . 51597 1
227 . 1 . 1 25 25 ALA N N 15 121.547 0.041 . 1 . . . . . 25 ALA N . 51597 1
228 . 1 . 1 26 26 GLN H H 1 8.100 0.002 . 1 . . . . . 26 GLN H . 51597 1
229 . 1 . 1 26 26 GLN HA H 1 4.161 0.002 . 1 . . . . . 26 GLN HA . 51597 1
230 . 1 . 1 26 26 GLN HB2 H 1 2.136 0.003 . 1 . . . . . 26 GLN HB2 . 51597 1
231 . 1 . 1 26 26 GLN HG2 H 1 2.450 0.000 . 2 . . . . . 26 GLN HG2 . 51597 1
232 . 1 . 1 26 26 GLN HG3 H 1 2.540 0.002 . 2 . . . . . 26 GLN HG3 . 51597 1
233 . 1 . 1 26 26 GLN HE21 H 1 7.595 0.000 . 1 . . . . . 26 GLN HE21 . 51597 1
234 . 1 . 1 26 26 GLN C C 13 177.320 0.006 . 1 . . . . . 26 GLN C . 51597 1
235 . 1 . 1 26 26 GLN CA C 13 57.172 0.048 . 1 . . . . . 26 GLN CA . 51597 1
236 . 1 . 1 26 26 GLN CB C 13 28.728 0.000 . 1 . . . . . 26 GLN CB . 51597 1
237 . 1 . 1 26 26 GLN CG C 13 33.889 0.000 . 1 . . . . . 26 GLN CG . 51597 1
238 . 1 . 1 26 26 GLN N N 15 117.857 0.038 . 1 . . . . . 26 GLN N . 51597 1
239 . 1 . 1 26 26 GLN NE2 N 15 112.362 0.000 . 1 . . . . . 26 GLN NE2 . 51597 1
240 . 1 . 1 27 27 ALA H H 1 7.979 0.001 . 1 . . . . . 27 ALA H . 51597 1
241 . 1 . 1 27 27 ALA HA H 1 4.246 0.000 . 1 . . . . . 27 ALA HA . 51597 1
242 . 1 . 1 27 27 ALA HB1 H 1 1.466 0.001 . 1 . . . . . 27 ALA HB1 . 51597 1
243 . 1 . 1 27 27 ALA HB2 H 1 1.466 0.001 . 1 . . . . . 27 ALA HB2 . 51597 1
244 . 1 . 1 27 27 ALA HB3 H 1 1.466 0.001 . 1 . . . . . 27 ALA HB3 . 51597 1
245 . 1 . 1 27 27 ALA C C 13 178.028 0.010 . 1 . . . . . 27 ALA C . 51597 1
246 . 1 . 1 27 27 ALA CA C 13 53.244 0.014 . 1 . . . . . 27 ALA CA . 51597 1
247 . 1 . 1 27 27 ALA CB C 13 18.697 0.000 . 1 . . . . . 27 ALA CB . 51597 1
248 . 1 . 1 27 27 ALA N N 15 122.807 0.039 . 1 . . . . . 27 ALA N . 51597 1
249 . 1 . 1 28 28 ALA H H 1 7.852 0.001 . 1 . . . . . 28 ALA H . 51597 1
250 . 1 . 1 28 28 ALA HA H 1 4.253 0.000 . 1 . . . . . 28 ALA HA . 51597 1
251 . 1 . 1 28 28 ALA HB1 H 1 1.434 0.000 . 1 . . . . . 28 ALA HB1 . 51597 1
252 . 1 . 1 28 28 ALA HB2 H 1 1.434 0.000 . 1 . . . . . 28 ALA HB2 . 51597 1
253 . 1 . 1 28 28 ALA HB3 H 1 1.434 0.000 . 1 . . . . . 28 ALA HB3 . 51597 1
254 . 1 . 1 28 28 ALA C C 13 177.749 0.004 . 1 . . . . . 28 ALA C . 51597 1
255 . 1 . 1 28 28 ALA CA C 13 52.570 0.031 . 1 . . . . . 28 ALA CA . 51597 1
256 . 1 . 1 28 28 ALA N N 15 121.267 0.041 . 1 . . . . . 28 ALA N . 51597 1
257 . 1 . 1 29 29 LYS H H 1 7.952 0.001 . 1 . . . . . 29 LYS H . 51597 1
258 . 1 . 1 29 29 LYS HA H 1 4.195 0.002 . 1 . . . . . 29 LYS HA . 51597 1
259 . 1 . 1 29 29 LYS HB2 H 1 1.664 0.000 . 2 . . . . . 29 LYS HB2 . 51597 1
260 . 1 . 1 29 29 LYS HB3 H 1 1.751 0.000 . 2 . . . . . 29 LYS HB3 . 51597 1
261 . 1 . 1 29 29 LYS HG2 H 1 1.339 0.001 . 2 . . . . . 29 LYS HG2 . 51597 1
262 . 1 . 1 29 29 LYS HG3 H 1 1.423 0.001 . 2 . . . . . 29 LYS HG3 . 51597 1
263 . 1 . 1 29 29 LYS HE2 H 1 2.934 0.003 . 1 . . . . . 29 LYS HE2 . 51597 1
264 . 1 . 1 29 29 LYS C C 13 176.137 0.010 . 1 . . . . . 29 LYS C . 51597 1
265 . 1 . 1 29 29 LYS CA C 13 56.412 0.029 . 1 . . . . . 29 LYS CA . 51597 1
266 . 1 . 1 29 29 LYS CB C 13 33.139 0.000 . 1 . . . . . 29 LYS CB . 51597 1
267 . 1 . 1 29 29 LYS CG C 13 24.744 0.001 . 1 . . . . . 29 LYS CG . 51597 1
268 . 1 . 1 29 29 LYS CE C 13 42.125 0.000 . 1 . . . . . 29 LYS CE . 51597 1
269 . 1 . 1 29 29 LYS N N 15 120.283 0.034 . 1 . . . . . 29 LYS N . 51597 1
270 . 1 . 1 30 30 LYS H H 1 8.271 0.001 . 1 . . . . . 30 LYS H . 51597 1
271 . 1 . 1 30 30 LYS HA H 1 4.295 0.002 . 1 . . . . . 30 LYS HA . 51597 1
272 . 1 . 1 30 30 LYS HB2 H 1 1.790 0.000 . 2 . . . . . 30 LYS HB2 . 51597 1
273 . 1 . 1 30 30 LYS HB3 H 1 1.681 0.000 . 2 . . . . . 30 LYS HB3 . 51597 1
274 . 1 . 1 30 30 LYS HG2 H 1 1.431 0.000 . 2 . . . . . 30 LYS HG2 . 51597 1
275 . 1 . 1 30 30 LYS HG3 H 1 1.357 0.000 . 2 . . . . . 30 LYS HG3 . 51597 1
276 . 1 . 1 30 30 LYS HE2 H 1 2.986 0.000 . 1 . . . . . 30 LYS HE2 . 51597 1
277 . 1 . 1 30 30 LYS C C 13 175.233 0.006 . 1 . . . . . 30 LYS C . 51597 1
278 . 1 . 1 30 30 LYS CA C 13 56.064 0.020 . 1 . . . . . 30 LYS CA . 51597 1
279 . 1 . 1 30 30 LYS CG C 13 24.751 0.000 . 1 . . . . . 30 LYS CG . 51597 1
280 . 1 . 1 30 30 LYS CE C 13 42.113 0.000 . 1 . . . . . 30 LYS CE . 51597 1
281 . 1 . 1 30 30 LYS N N 15 123.215 0.032 . 1 . . . . . 30 LYS N . 51597 1
282 . 1 . 1 31 31 TYR H H 1 7.837 0.001 . 1 . . . . . 31 TYR H . 51597 1
283 . 1 . 1 31 31 TYR HA H 1 4.380 0.000 . 1 . . . . . 31 TYR HA . 51597 1
284 . 1 . 1 31 31 TYR HB2 H 1 3.098 0.000 . 2 . . . . . 31 TYR HB2 . 51597 1
285 . 1 . 1 31 31 TYR HB3 H 1 2.864 0.003 . 2 . . . . . 31 TYR HB3 . 51597 1
286 . 1 . 1 31 31 TYR C C 13 180.492 0.006 . 1 . . . . . 31 TYR C . 51597 1
287 . 1 . 1 31 31 TYR CA C 13 59.124 0.022 . 1 . . . . . 31 TYR CA . 51597 1
288 . 1 . 1 31 31 TYR CB C 13 39.528 0.004 . 1 . . . . . 31 TYR CB . 51597 1
289 . 1 . 1 31 31 TYR N N 15 126.210 0.034 . 1 . . . . . 31 TYR N . 51597 1
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