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 52589
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name chemical_shift_list_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' . . . 52589 1
2 '3D HNCO' . . . 52589 1
3 '3D HNCA' . . . 52589 1
4 '3D CBCACONH' . . . 52589 1
5 '3D HNCACB' . . . 52589 1
6 '3D HNCACO' . . . 52589 1
7 '3D H(CCO)NH' . . . 52589 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 . . 52589 1
3 $software_3 . . 52589 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 3 3 MET H H 1 8.545 0.020 . 1 . . . . . 1 MET H . 52589 1
2 . 1 . 1 3 3 MET CA C 13 55.395 0.3 . 1 . . . . . 1 MET CA . 52589 1
3 . 1 . 1 3 3 MET CB C 13 32.742 0.3 . 1 . . . . . 1 MET CB . 52589 1
4 . 1 . 1 3 3 MET N N 15 119.811 0.3 . 1 . . . . . 1 MET N . 52589 1
5 . 1 . 1 4 4 GLY H H 1 8.422 0.020 . 1 . . . . . 2 GLY H . 52589 1
6 . 1 . 1 4 4 GLY CA C 13 45.315 0.3 . 1 . . . . . 2 GLY CA . 52589 1
7 . 1 . 1 4 4 GLY N N 15 110.201 0.3 . 1 . . . . . 2 GLY N . 52589 1
8 . 1 . 1 5 5 LYS H H 1 8.222 0.020 . 1 . . . . . 3 LYS H . 52589 1
9 . 1 . 1 5 5 LYS CA C 13 56.513 0.3 . 1 . . . . . 3 LYS CA . 52589 1
10 . 1 . 1 5 5 LYS CB C 13 32.918 0.3 . 1 . . . . . 3 LYS CB . 52589 1
11 . 1 . 1 5 5 LYS N N 15 120.601 0.3 . 1 . . . . . 3 LYS N . 52589 1
12 . 1 . 1 6 6 SER H H 1 8.387 0.020 . 1 . . . . . 4 SER H . 52589 1
13 . 1 . 1 6 6 SER CA C 13 58.278 0.3 . 1 . . . . . 4 SER CA . 52589 1
14 . 1 . 1 6 6 SER CB C 13 63.574 0.3 . 1 . . . . . 4 SER CB . 52589 1
15 . 1 . 1 6 6 SER N N 15 117.010 0.3 . 1 . . . . . 4 SER N . 52589 1
16 . 1 . 1 7 7 LEU H H 1 8.362 0.020 . 1 . . . . . 5 LEU H . 52589 1
17 . 1 . 1 7 7 LEU CA C 13 55.100 0.3 . 1 . . . . . 5 LEU CA . 52589 1
18 . 1 . 1 7 7 LEU CB C 13 42.135 0.3 . 1 . . . . . 5 LEU CB . 52589 1
19 . 1 . 1 7 7 LEU N N 15 124.204 0.3 . 1 . . . . . 5 LEU N . 52589 1
20 . 1 . 1 8 8 SER H H 1 8.222 0.020 . 1 . . . . . 6 SER H . 52589 1
21 . 1 . 1 8 8 SER CA C 13 58.453 0.3 . 1 . . . . . 6 SER CA . 52589 1
22 . 1 . 1 8 8 SER CB C 13 63.633 0.3 . 1 . . . . . 6 SER CB . 52589 1
23 . 1 . 1 8 8 SER N N 15 115.786 0.3 . 1 . . . . . 6 SER N . 52589 1
24 . 1 . 1 9 9 HIS H H 1 8.317 0.020 . 1 . . . . . 7 HIS H . 52589 1
25 . 1 . 1 9 9 HIS CA C 13 55.627 0.3 . 1 . . . . . 7 HIS CA . 52589 1
26 . 1 . 1 9 9 HIS N N 15 120.464 0.3 . 1 . . . . . 7 HIS N . 52589 1
27 . 1 . 1 10 10 LEU H H 1 8.118 0.020 . 1 . . . . . 8 LEU H . 52589 1
28 . 1 . 1 10 10 LEU CA C 13 52.983 0.3 . 1 . . . . . 8 LEU CA . 52589 1
29 . 1 . 1 10 10 LEU CB C 13 41.509 0.3 . 1 . . . . . 8 LEU CB . 52589 1
30 . 1 . 1 10 10 LEU N N 15 124.443 0.3 . 1 . . . . . 8 LEU N . 52589 1
31 . 1 . 1 12 12 LEU H H 1 8.305 0.020 . 1 . . . . . 10 LEU H . 52589 1
32 . 1 . 1 12 12 LEU CA C 13 55.362 0.3 . 1 . . . . . 10 LEU CA . 52589 1
33 . 1 . 1 12 12 LEU CB C 13 42.274 0.3 . 1 . . . . . 10 LEU CB . 52589 1
34 . 1 . 1 12 12 LEU N N 15 122.086 0.3 . 1 . . . . . 10 LEU N . 52589 1
35 . 1 . 1 13 13 HIS H H 1 8.346 0.020 . 1 . . . . . 11 HIS H . 52589 1
36 . 1 . 1 13 13 HIS CA C 13 55.636 0.3 . 1 . . . . . 11 HIS CA . 52589 1
37 . 1 . 1 13 13 HIS CB C 13 29.945 0.3 . 1 . . . . . 11 HIS CB . 52589 1
38 . 1 . 1 13 13 HIS N N 15 119.046 0.3 . 1 . . . . . 11 HIS N . 52589 1
39 . 1 . 1 14 14 SER H H 1 8.306 0.020 . 1 . . . . . 12 SER H . 52589 1
40 . 1 . 1 14 14 SER CA C 13 58.162 0.3 . 1 . . . . . 12 SER CA . 52589 1
41 . 1 . 1 14 14 SER CB C 13 63.926 0.3 . 1 . . . . . 12 SER CB . 52589 1
42 . 1 . 1 14 14 SER N N 15 117.096 0.3 . 1 . . . . . 12 SER N . 52589 1
43 . 1 . 1 15 15 SER H H 1 8.502 0.020 . 1 . . . . . 13 SER H . 52589 1
44 . 1 . 1 15 15 SER CA C 13 58.341 0.3 . 1 . . . . . 13 SER CA . 52589 1
45 . 1 . 1 15 15 SER CB C 13 63.844 0.3 . 1 . . . . . 13 SER CB . 52589 1
46 . 1 . 1 15 15 SER N N 15 118.230 0.3 . 1 . . . . . 13 SER N . 52589 1
47 . 1 . 1 16 16 LYS H H 1 8.382 0.020 . 1 . . . . . 14 LYS H . 52589 1
48 . 1 . 1 16 16 LYS CA C 13 56.643 0.3 . 1 . . . . . 14 LYS CA . 52589 1
49 . 1 . 1 16 16 LYS CB C 13 32.720 0.3 . 1 . . . . . 14 LYS CB . 52589 1
50 . 1 . 1 16 16 LYS N N 15 122.944 0.3 . 1 . . . . . 14 LYS N . 52589 1
51 . 1 . 1 17 17 GLU H H 1 8.406 0.020 . 1 . . . . . 15 GLU H . 52589 1
52 . 1 . 1 17 17 GLU CA C 13 56.748 0.3 . 1 . . . . . 15 GLU CA . 52589 1
53 . 1 . 1 17 17 GLU CB C 13 29.918 0.3 . 1 . . . . . 15 GLU CB . 52589 1
54 . 1 . 1 17 17 GLU N N 15 121.134 0.3 . 1 . . . . . 15 GLU N . 52589 1
55 . 1 . 1 18 18 ASP H H 1 8.212 0.020 . 1 . . . . . 16 ASP H . 52589 1
56 . 1 . 1 18 18 ASP CA C 13 54.218 0.3 . 1 . . . . . 16 ASP CA . 52589 1
57 . 1 . 1 18 18 ASP CB C 13 41.038 0.3 . 1 . . . . . 16 ASP CB . 52589 1
58 . 1 . 1 18 18 ASP N N 15 120.926 0.3 . 1 . . . . . 16 ASP N . 52589 1
59 . 1 . 1 19 19 ALA H H 1 8.054 0.020 . 1 . . . . . 17 ALA H . 52589 1
60 . 1 . 1 19 19 ALA CA C 13 52.469 0.3 . 1 . . . . . 17 ALA CA . 52589 1
61 . 1 . 1 19 19 ALA CB C 13 19.150 0.3 . 1 . . . . . 17 ALA CB . 52589 1
62 . 1 . 1 19 19 ALA N N 15 123.537 0.3 . 1 . . . . . 17 ALA N . 52589 1
63 . 1 . 1 20 20 TYR H H 1 8.169 0.020 . 1 . . . . . 18 TYR H . 52589 1
64 . 1 . 1 20 20 TYR CA C 13 57.879 0.3 . 1 . . . . . 18 TYR CA . 52589 1
65 . 1 . 1 20 20 TYR CB C 13 38.567 0.3 . 1 . . . . . 18 TYR CB . 52589 1
66 . 1 . 1 20 20 TYR N N 15 119.480 0.3 . 1 . . . . . 18 TYR N . 52589 1
67 . 1 . 1 21 21 ASP H H 1 8.214 0.020 . 1 . . . . . 19 ASP H . 52589 1
68 . 1 . 1 21 21 ASP CA C 13 54.213 0.3 . 1 . . . . . 19 ASP CA . 52589 1
69 . 1 . 1 21 21 ASP CB C 13 41.055 0.3 . 1 . . . . . 19 ASP CB . 52589 1
70 . 1 . 1 21 21 ASP N N 15 122.573 0.3 . 1 . . . . . 19 ASP N . 52589 1
71 . 1 . 1 22 22 GLY H H 1 7.788 0.020 . 1 . . . . . 20 GLY H . 52589 1
72 . 1 . 1 22 22 GLY CA C 13 45.451 0.3 . 1 . . . . . 20 GLY CA . 52589 1
73 . 1 . 1 22 22 GLY N N 15 108.580 0.3 . 1 . . . . . 20 GLY N . 52589 1
74 . 1 . 1 23 23 VAL H H 1 8.006 0.020 . 1 . . . . . 21 VAL H . 52589 1
75 . 1 . 1 23 23 VAL CA C 13 62.750 0.3 . 1 . . . . . 21 VAL CA . 52589 1
76 . 1 . 1 23 23 VAL CB C 13 32.565 0.3 . 1 . . . . . 21 VAL CB . 52589 1
77 . 1 . 1 23 23 VAL N N 15 119.596 0.3 . 1 . . . . . 21 VAL N . 52589 1
78 . 1 . 1 24 24 THR H H 1 8.341 0.020 . 1 . . . . . 22 THR H . 52589 1
79 . 1 . 1 24 24 THR CA C 13 62.008 0.3 . 1 . . . . . 22 THR CA . 52589 1
80 . 1 . 1 24 24 THR CB C 13 69.693 0.3 . 1 . . . . . 22 THR CB . 52589 1
81 . 1 . 1 24 24 THR N N 15 117.747 0.3 . 1 . . . . . 22 THR N . 52589 1
82 . 1 . 1 25 25 SER H H 1 8.341 0.020 . 1 . . . . . 23 SER H . 52589 1
83 . 1 . 1 25 25 SER CA C 13 58.850 0.3 . 1 . . . . . 23 SER CA . 52589 1
84 . 1 . 1 25 25 SER CB C 13 63.640 0.3 . 1 . . . . . 23 SER CB . 52589 1
85 . 1 . 1 25 25 SER N N 15 117.842 0.3 . 1 . . . . . 23 SER N . 52589 1
86 . 1 . 1 26 26 GLU H H 1 8.510 0.020 . 1 . . . . . 24 GLU H . 52589 1
87 . 1 . 1 26 26 GLU CA C 13 57.570 0.3 . 1 . . . . . 24 GLU CA . 52589 1
88 . 1 . 1 26 26 GLU CB C 13 29.788 0.3 . 1 . . . . . 24 GLU CB . 52589 1
89 . 1 . 1 26 26 GLU N N 15 122.524 0.3 . 1 . . . . . 24 GLU N . 52589 1
90 . 1 . 1 27 27 ASN H H 1 8.338 0.020 . 1 . . . . . 25 ASN H . 52589 1
91 . 1 . 1 27 27 ASN CA C 13 53.794 0.3 . 1 . . . . . 25 ASN CA . 52589 1
92 . 1 . 1 27 27 ASN CB C 13 38.431 0.3 . 1 . . . . . 25 ASN CB . 52589 1
93 . 1 . 1 27 27 ASN N N 15 118.290 0.3 . 1 . . . . . 25 ASN N . 52589 1
94 . 1 . 1 28 28 MET H H 1 8.138 0.020 . 1 . . . . . 26 MET H . 52589 1
95 . 1 . 1 28 28 MET CA C 13 56.223 0.3 . 1 . . . . . 26 MET CA . 52589 1
96 . 1 . 1 28 28 MET CB C 13 30.447 0.3 . 1 . . . . . 26 MET CB . 52589 1
97 . 1 . 1 28 28 MET N N 15 120.018 0.3 . 1 . . . . . 26 MET N . 52589 1
98 . 1 . 1 29 29 ARG H H 1 8.216 0.020 . 1 . . . . . 27 ARG H . 52589 1
99 . 1 . 1 29 29 ARG CA C 13 56.513 0.3 . 1 . . . . . 27 ARG CA . 52589 1
100 . 1 . 1 29 29 ARG CB C 13 30.212 0.3 . 1 . . . . . 27 ARG CB . 52589 1
101 . 1 . 1 29 29 ARG N N 15 120.926 0.3 . 1 . . . . . 27 ARG N . 52589 1
102 . 1 . 1 30 30 ASN H H 1 8.340 0.020 . 1 . . . . . 28 ASN H . 52589 1
103 . 1 . 1 30 30 ASN CA C 13 53.495 0.3 . 1 . . . . . 28 ASN CA . 52589 1
104 . 1 . 1 30 30 ASN CB C 13 38.710 0.3 . 1 . . . . . 28 ASN CB . 52589 1
105 . 1 . 1 30 30 ASN N N 15 118.800 0.3 . 1 . . . . . 28 ASN N . 52589 1
106 . 1 . 1 31 31 GLY H H 1 8.295 0.020 . 1 . . . . . 29 GLY H . 52589 1
107 . 1 . 1 31 31 GLY CA C 13 45.536 0.3 . 1 . . . . . 29 GLY CA . 52589 1
108 . 1 . 1 31 31 GLY N N 15 108.754 0.3 . 1 . . . . . 29 GLY N . 52589 1
109 . 1 . 1 32 32 LEU H H 1 8.024 0.020 . 1 . . . . . 30 LEU H . 52589 1
110 . 1 . 1 32 32 LEU CA C 13 55.163 0.3 . 1 . . . . . 30 LEU CA . 52589 1
111 . 1 . 1 32 32 LEU CB C 13 42.238 0.3 . 1 . . . . . 30 LEU CB . 52589 1
112 . 1 . 1 32 32 LEU N N 15 121.345 0.3 . 1 . . . . . 30 LEU N . 52589 1
113 . 1 . 1 33 33 VAL H H 1 8.078 0.020 . 1 . . . . . 31 VAL H . 52589 1
114 . 1 . 1 33 33 VAL CA C 13 62.317 0.3 . 1 . . . . . 31 VAL CA . 52589 1
115 . 1 . 1 33 33 VAL CB C 13 32.742 0.3 . 1 . . . . . 31 VAL CB . 52589 1
116 . 1 . 1 33 33 VAL N N 15 120.379 0.3 . 1 . . . . . 31 VAL N . 52589 1
117 . 1 . 1 34 34 ASN H H 1 8.522 0.020 . 1 . . . . . 32 ASN H . 52589 1
118 . 1 . 1 34 34 ASN CA C 13 53.286 0.3 . 1 . . . . . 32 ASN CA . 52589 1
119 . 1 . 1 34 34 ASN CB C 13 38.842 0.3 . 1 . . . . . 32 ASN CB . 52589 1
120 . 1 . 1 34 34 ASN N N 15 122.615 0.3 . 1 . . . . . 32 ASN N . 52589 1
121 . 1 . 1 35 35 SER H H 1 8.308 0.020 . 1 . . . . . 33 SER H . 52589 1
122 . 1 . 1 35 35 SER CA C 13 58.607 0.3 . 1 . . . . . 33 SER CA . 52589 1
123 . 1 . 1 35 35 SER CB C 13 63.664 0.3 . 1 . . . . . 33 SER CB . 52589 1
124 . 1 . 1 35 35 SER N N 15 116.484 0.3 . 1 . . . . . 33 SER N . 52589 1
125 . 1 . 1 36 36 GLU H H 1 8.407 0.020 . 1 . . . . . 34 GLU H . 52589 1
126 . 1 . 1 36 36 GLU CA C 13 56.489 0.3 . 1 . . . . . 34 GLU CA . 52589 1
127 . 1 . 1 36 36 GLU CB C 13 30.096 0.3 . 1 . . . . . 34 GLU CB . 52589 1
128 . 1 . 1 36 36 GLU N N 15 122.485 0.3 . 1 . . . . . 34 GLU N . 52589 1
129 . 1 . 1 37 37 VAL H H 1 8.023 0.020 . 1 . . . . . 35 VAL H . 52589 1
130 . 1 . 1 37 37 VAL CA C 13 62.339 0.3 . 1 . . . . . 35 VAL CA . 52589 1
131 . 1 . 1 37 37 VAL CB C 13 32.624 0.3 . 1 . . . . . 35 VAL CB . 52589 1
132 . 1 . 1 37 37 VAL N N 15 120.719 0.3 . 1 . . . . . 35 VAL N . 52589 1
133 . 1 . 1 38 38 HIS H H 1 8.542 0.020 . 1 . . . . . 36 HIS H . 52589 1
134 . 1 . 1 38 38 HIS CA C 13 55.219 0.3 . 1 . . . . . 36 HIS CA . 52589 1
135 . 1 . 1 38 38 HIS CB C 13 29.623 0.3 . 1 . . . . . 36 HIS CB . 52589 1
136 . 1 . 1 38 38 HIS N N 15 122.973 0.3 . 1 . . . . . 36 HIS N . 52589 1
137 . 1 . 1 39 39 ASN H H 1 8.488 0.020 . 1 . . . . . 37 ASN H . 52589 1
138 . 1 . 1 39 39 ASN CA C 13 53.218 0.3 . 1 . . . . . 37 ASN CA . 52589 1
139 . 1 . 1 39 39 ASN CB C 13 39.038 0.3 . 1 . . . . . 37 ASN CB . 52589 1
140 . 1 . 1 39 39 ASN N N 15 121.056 0.3 . 1 . . . . . 37 ASN N . 52589 1
141 . 1 . 1 40 40 GLU H H 1 8.698 0.020 . 1 . . . . . 38 GLU H . 52589 1
142 . 1 . 1 40 40 GLU CA C 13 56.798 0.3 . 1 . . . . . 38 GLU CA . 52589 1
143 . 1 . 1 40 40 GLU CB C 13 29.890 0.3 . 1 . . . . . 38 GLU CB . 52589 1
144 . 1 . 1 40 40 GLU N N 15 121.804 0.3 . 1 . . . . . 38 GLU N . 52589 1
145 . 1 . 1 41 41 ASP H H 1 8.325 0.020 . 1 . . . . . 39 ASP H . 52589 1
146 . 1 . 1 41 41 ASP CA C 13 54.545 0.3 . 1 . . . . . 39 ASP CA . 52589 1
147 . 1 . 1 41 41 ASP CB C 13 41.038 0.3 . 1 . . . . . 39 ASP CB . 52589 1
148 . 1 . 1 41 41 ASP N N 15 120.767 0.3 . 1 . . . . . 39 ASP N . 52589 1
149 . 1 . 1 42 42 GLY H H 1 8.372 0.020 . 1 . . . . . 40 GLY H . 52589 1
150 . 1 . 1 42 42 GLY CA C 13 45.569 0.3 . 1 . . . . . 40 GLY CA . 52589 1
151 . 1 . 1 42 42 GLY N N 15 109.180 0.3 . 1 . . . . . 40 GLY N . 52589 1
152 . 1 . 1 43 43 ARG H H 1 8.128 0.020 . 1 . . . . . 41 ARG H . 52589 1
153 . 1 . 1 43 43 ARG CA C 13 56.219 0.3 . 1 . . . . . 41 ARG CA . 52589 1
154 . 1 . 1 43 43 ARG CB C 13 30.388 0.3 . 1 . . . . . 41 ARG CB . 52589 1
155 . 1 . 1 43 43 ARG N N 15 120.127 0.3 . 1 . . . . . 41 ARG N . 52589 1
156 . 1 . 1 44 44 ASN H H 1 8.494 0.020 . 1 . . . . . 42 ASN H . 52589 1
157 . 1 . 1 44 44 ASN CA C 13 53.351 0.3 . 1 . . . . . 42 ASN CA . 52589 1
158 . 1 . 1 44 44 ASN CB C 13 38.842 0.3 . 1 . . . . . 42 ASN CB . 52589 1
159 . 1 . 1 44 44 ASN N N 15 119.274 0.3 . 1 . . . . . 42 ASN N . 52589 1
160 . 1 . 1 45 45 GLY H H 1 8.344 0.020 . 1 . . . . . 43 GLY H . 52589 1
161 . 1 . 1 45 45 GLY CA C 13 45.426 0.3 . 1 . . . . . 43 GLY CA . 52589 1
162 . 1 . 1 45 45 GLY N N 15 109.075 0.3 . 1 . . . . . 43 GLY N . 52589 1
163 . 1 . 1 46 46 ASP H H 1 8.217 0.020 . 1 . . . . . 44 ASP H . 52589 1
164 . 1 . 1 46 46 ASP CA C 13 54.141 0.3 . 1 . . . . . 44 ASP CA . 52589 1
165 . 1 . 1 46 46 ASP CB C 13 41.085 0.3 . 1 . . . . . 44 ASP CB . 52589 1
166 . 1 . 1 46 46 ASP N N 15 120.680 0.3 . 1 . . . . . 44 ASP N . 52589 1
167 . 1 . 1 47 47 VAL H H 1 8.120 0.020 . 1 . . . . . 45 VAL H . 52589 1
168 . 1 . 1 47 47 VAL CA C 13 62.273 0.3 . 1 . . . . . 45 VAL CA . 52589 1
169 . 1 . 1 47 47 VAL CB C 13 32.448 0.3 . 1 . . . . . 45 VAL CB . 52589 1
170 . 1 . 1 47 47 VAL N N 15 119.855 0.3 . 1 . . . . . 45 VAL N . 52589 1
171 . 1 . 1 48 48 SER H H 1 8.377 0.020 . 1 . . . . . 46 SER H . 52589 1
172 . 1 . 1 48 48 SER CA C 13 58.643 0.3 . 1 . . . . . 46 SER CA . 52589 1
173 . 1 . 1 48 48 SER CB C 13 63.566 0.3 . 1 . . . . . 46 SER CB . 52589 1
174 . 1 . 1 48 48 SER N N 15 118.764 0.3 . 1 . . . . . 46 SER N . 52589 1
175 . 1 . 1 49 49 GLN H H 1 8.203 0.020 . 1 . . . . . 47 GLN H . 52589 1
176 . 1 . 1 49 49 GLN CA C 13 55.737 0.3 . 1 . . . . . 47 GLN CA . 52589 1
177 . 1 . 1 49 49 GLN CB C 13 29.447 0.3 . 1 . . . . . 47 GLN CB . 52589 1
178 . 1 . 1 49 49 GLN N N 15 121.514 0.3 . 1 . . . . . 47 GLN N . 52589 1
179 . 1 . 1 50 50 PHE H H 1 8.116 0.020 . 1 . . . . . 48 PHE H . 52589 1
180 . 1 . 1 50 50 PHE CA C 13 55.560 0.3 . 1 . . . . . 48 PHE CA . 52589 1
181 . 1 . 1 50 50 PHE CB C 13 38.979 0.3 . 1 . . . . . 48 PHE CB . 52589 1
182 . 1 . 1 50 50 PHE N N 15 121.168 0.3 . 1 . . . . . 48 PHE N . 52589 1
183 . 1 . 1 52 52 TYR H H 1 8.051 0.020 . 1 . . . . . 50 TYR H . 52589 1
184 . 1 . 1 52 52 TYR CA C 13 57.989 0.3 . 1 . . . . . 50 TYR CA . 52589 1
185 . 1 . 1 52 52 TYR CB C 13 38.567 0.3 . 1 . . . . . 50 TYR CB . 52589 1
186 . 1 . 1 52 52 TYR N N 15 120.283 0.3 . 1 . . . . . 50 TYR N . 52589 1
187 . 1 . 1 53 53 VAL H H 1 7.892 0.020 . 1 . . . . . 51 VAL H . 52589 1
188 . 1 . 1 53 53 VAL CA C 13 61.867 0.3 . 1 . . . . . 51 VAL CA . 52589 1
189 . 1 . 1 53 53 VAL CB C 13 33.036 0.3 . 1 . . . . . 51 VAL CB . 52589 1
190 . 1 . 1 53 53 VAL N N 15 122.673 0.3 . 1 . . . . . 51 VAL N . 52589 1
191 . 1 . 1 54 54 GLU H H 1 8.335 0.020 . 1 . . . . . 52 GLU H . 52589 1
192 . 1 . 1 54 54 GLU CA C 13 56.438 0.3 . 1 . . . . . 52 GLU CA . 52589 1
193 . 1 . 1 54 54 GLU CB C 13 30.302 0.3 . 1 . . . . . 52 GLU CB . 52589 1
194 . 1 . 1 54 54 GLU N N 15 124.300 0.3 . 1 . . . . . 52 GLU N . 52589 1
195 . 1 . 1 55 55 PHE H H 1 8.346 0.020 . 1 . . . . . 53 PHE H . 52589 1
196 . 1 . 1 55 55 PHE CA C 13 57.857 0.3 . 1 . . . . . 53 PHE CA . 52589 1
197 . 1 . 1 55 55 PHE CB C 13 39.450 0.3 . 1 . . . . . 53 PHE CB . 52589 1
198 . 1 . 1 55 55 PHE N N 15 121.696 0.3 . 1 . . . . . 53 PHE N . 52589 1
199 . 1 . 1 56 56 THR H H 1 8.204 0.020 . 1 . . . . . 54 THR H . 52589 1
200 . 1 . 1 56 56 THR CA C 13 61.867 0.3 . 1 . . . . . 54 THR CA . 52589 1
201 . 1 . 1 56 56 THR CB C 13 69.752 0.3 . 1 . . . . . 54 THR CB . 52589 1
202 . 1 . 1 56 56 THR N N 15 115.252 0.3 . 1 . . . . . 54 THR N . 52589 1
203 . 1 . 1 57 57 GLY H H 1 7.979 0.020 . 1 . . . . . 55 GLY H . 52589 1
204 . 1 . 1 57 57 GLY CA C 13 45.451 0.3 . 1 . . . . . 55 GLY CA . 52589 1
205 . 1 . 1 57 57 GLY N N 15 110.396 0.3 . 1 . . . . . 55 GLY N . 52589 1
206 . 1 . 1 58 58 ARG H H 1 8.152 0.020 . 1 . . . . . 56 ARG H . 52589 1
207 . 1 . 1 58 58 ARG CA C 13 56.206 0.3 . 1 . . . . . 56 ARG CA . 52589 1
208 . 1 . 1 58 58 ARG CB C 13 30.627 0.3 . 1 . . . . . 56 ARG CB . 52589 1
209 . 1 . 1 58 58 ARG N N 15 120.127 0.3 . 1 . . . . . 56 ARG N . 52589 1
210 . 1 . 1 59 59 ASP H H 1 8.451 0.020 . 1 . . . . . 57 ASP H . 52589 1
211 . 1 . 1 59 59 ASP CA C 13 54.160 0.3 . 1 . . . . . 57 ASP CA . 52589 1
212 . 1 . 1 59 59 ASP CB C 13 40.979 0.3 . 1 . . . . . 57 ASP CB . 52589 1
213 . 1 . 1 59 59 ASP N N 15 120.175 0.3 . 1 . . . . . 57 ASP N . 52589 1
214 . 1 . 1 60 60 SER H H 1 8.044 0.020 . 1 . . . . . 58 SER H . 52589 1
215 . 1 . 1 60 60 SER CA C 13 57.548 0.3 . 1 . . . . . 58 SER CA . 52589 1
216 . 1 . 1 60 60 SER CB C 13 66.222 0.3 . 1 . . . . . 58 SER CB . 52589 1
217 . 1 . 1 60 60 SER N N 15 115.431 0.3 . 1 . . . . . 58 SER N . 52589 1
218 . 1 . 1 61 61 VAL H H 1 9.020 0.020 . 1 . . . . . 59 VAL H . 52589 1
219 . 1 . 1 61 61 VAL CA C 13 59.292 0.3 . 1 . . . . . 59 VAL CA . 52589 1
220 . 1 . 1 61 61 VAL CB C 13 35.566 0.3 . 1 . . . . . 59 VAL CB . 52589 1
221 . 1 . 1 61 61 VAL N N 15 115.582 0.3 . 1 . . . . . 59 VAL N . 52589 1
222 . 1 . 1 62 62 THR H H 1 8.244 0.020 . 1 . . . . . 60 THR H . 52589 1
223 . 1 . 1 62 62 THR CA C 13 64.339 0.3 . 1 . . . . . 60 THR CA . 52589 1
224 . 1 . 1 62 62 THR CB C 13 69.046 0.3 . 1 . . . . . 60 THR CB . 52589 1
225 . 1 . 1 62 62 THR N N 15 118.802 0.3 . 1 . . . . . 60 THR N . 52589 1
226 . 1 . 1 63 63 CYS H H 1 8.102 0.020 . 1 . . . . . 61 CYS H . 52589 1
227 . 1 . 1 63 63 CYS CA C 13 56.984 0.3 . 1 . . . . . 61 CYS CA . 52589 1
228 . 1 . 1 63 63 CYS CB C 13 31.565 0.3 . 1 . . . . . 61 CYS CB . 52589 1
229 . 1 . 1 63 63 CYS N N 15 129.914 0.3 . 1 . . . . . 61 CYS N . 52589 1
230 . 1 . 1 65 65 THR H H 1 8.833 0.020 . 1 . . . . . 63 THR H . 52589 1
231 . 1 . 1 65 65 THR CA C 13 65.698 0.3 . 1 . . . . . 63 THR CA . 52589 1
232 . 1 . 1 65 65 THR CB C 13 68.785 0.3 . 1 . . . . . 63 THR CB . 52589 1
233 . 1 . 1 65 65 THR N N 15 121.435 0.3 . 1 . . . . . 63 THR N . 52589 1
234 . 1 . 1 66 66 CYS H H 1 7.704 0.020 . 1 . . . . . 64 CYS H . 52589 1
235 . 1 . 1 66 66 CYS CA C 13 57.525 0.3 . 1 . . . . . 64 CYS CA . 52589 1
236 . 1 . 1 66 66 CYS CB C 13 32.271 0.3 . 1 . . . . . 64 CYS CB . 52589 1
237 . 1 . 1 66 66 CYS N N 15 116.641 0.3 . 1 . . . . . 64 CYS N . 52589 1
238 . 1 . 1 67 67 GLN H H 1 7.877 0.020 . 1 . . . . . 65 GLN H . 52589 1
239 . 1 . 1 67 67 GLN CA C 13 57.305 0.3 . 1 . . . . . 65 GLN CA . 52589 1
240 . 1 . 1 67 67 GLN CB C 13 25.858 0.3 . 1 . . . . . 65 GLN CB . 52589 1
241 . 1 . 1 67 67 GLN N N 15 119.330 0.3 . 1 . . . . . 65 GLN N . 52589 1
242 . 1 . 1 68 68 GLY H H 1 8.329 0.020 . 1 . . . . . 66 GLY H . 52589 1
243 . 1 . 1 68 68 GLY CA C 13 45.470 0.3 . 1 . . . . . 66 GLY CA . 52589 1
244 . 1 . 1 68 68 GLY N N 15 106.133 0.3 . 1 . . . . . 66 GLY N . 52589 1
245 . 1 . 1 69 69 THR H H 1 7.718 0.020 . 1 . . . . . 67 THR H . 52589 1
246 . 1 . 1 69 69 THR CA C 13 63.162 0.3 . 1 . . . . . 67 THR CA . 52589 1
247 . 1 . 1 69 69 THR CB C 13 70.399 0.3 . 1 . . . . . 67 THR CB . 52589 1
248 . 1 . 1 69 69 THR N N 15 111.443 0.3 . 1 . . . . . 67 THR N . 52589 1
249 . 1 . 1 70 70 GLY H H 1 9.846 0.020 . 1 . . . . . 68 GLY H . 52589 1
250 . 1 . 1 70 70 GLY CA C 13 45.385 0.3 . 1 . . . . . 68 GLY CA . 52589 1
251 . 1 . 1 70 70 GLY N N 15 114.052 0.3 . 1 . . . . . 68 GLY N . 52589 1
252 . 1 . 1 71 71 ARG H H 1 7.988 0.020 . 1 . . . . . 69 ARG H . 52589 1
253 . 1 . 1 71 71 ARG CA C 13 54.080 0.3 . 1 . . . . . 69 ARG CA . 52589 1
254 . 1 . 1 71 71 ARG CB C 13 34.208 0.3 . 1 . . . . . 69 ARG CB . 52589 1
255 . 1 . 1 71 71 ARG N N 15 120.435 0.3 . 1 . . . . . 69 ARG N . 52589 1
256 . 1 . 1 72 72 ILE H H 1 8.723 0.020 . 1 . . . . . 70 ILE H . 52589 1
257 . 1 . 1 72 72 ILE CA C 13 58.043 0.3 . 1 . . . . . 70 ILE CA . 52589 1
258 . 1 . 1 72 72 ILE CB C 13 39.508 0.3 . 1 . . . . . 70 ILE CB . 52589 1
259 . 1 . 1 72 72 ILE N N 15 113.735 0.3 . 1 . . . . . 70 ILE N . 52589 1
260 . 1 . 1 75 75 GLY H H 1 8.879 0.020 . 1 . . . . . 73 GLY H . 52589 1
261 . 1 . 1 75 75 GLY CA C 13 45.426 0.3 . 1 . . . . . 73 GLY CA . 52589 1
262 . 1 . 1 75 75 GLY N N 15 111.553 0.3 . 1 . . . . . 73 GLY N . 52589 1
263 . 1 . 1 76 76 GLN H H 1 8.239 0.020 . 1 . . . . . 74 GLN H . 52589 1
264 . 1 . 1 76 76 GLN CA C 13 55.866 0.3 . 1 . . . . . 74 GLN CA . 52589 1
265 . 1 . 1 76 76 GLN CB C 13 29.329 0.3 . 1 . . . . . 74 GLN CB . 52589 1
266 . 1 . 1 76 76 GLN N N 15 119.780 0.3 . 1 . . . . . 74 GLN N . 52589 1
267 . 1 . 1 77 77 GLU H H 1 8.925 0.020 . 1 . . . . . 75 GLU H . 52589 1
268 . 1 . 1 77 77 GLU CA C 13 58.043 0.3 . 1 . . . . . 75 GLU CA . 52589 1
269 . 1 . 1 77 77 GLU CB C 13 29.329 0.3 . 1 . . . . . 75 GLU CB . 52589 1
270 . 1 . 1 77 77 GLU N N 15 121.708 0.3 . 1 . . . . . 75 GLU N . 52589 1
271 . 1 . 1 78 78 ASN H H 1 8.364 0.020 . 1 . . . . . 76 ASN H . 52589 1
272 . 1 . 1 78 78 ASN CA C 13 53.600 0.3 . 1 . . . . . 76 ASN CA . 52589 1
273 . 1 . 1 78 78 ASN CB C 13 38.530 0.3 . 1 . . . . . 76 ASN CB . 52589 1
274 . 1 . 1 78 78 ASN N N 15 118.204 0.3 . 1 . . . . . 76 ASN N . 52589 1
275 . 1 . 1 79 79 GLN H H 1 8.148 0.020 . 1 . . . . . 77 GLN H . 52589 1
276 . 1 . 1 79 79 GLN CA C 13 56.121 0.3 . 1 . . . . . 77 GLN CA . 52589 1
277 . 1 . 1 79 79 GLN CB C 13 29.225 0.3 . 1 . . . . . 77 GLN CB . 52589 1
278 . 1 . 1 79 79 GLN N N 15 119.637 0.3 . 1 . . . . . 77 GLN N . 52589 1
279 . 1 . 1 80 80 LEU H H 1 8.096 0.020 . 1 . . . . . 78 LEU H . 52589 1
280 . 1 . 1 80 80 LEU CA C 13 55.291 0.3 . 1 . . . . . 78 LEU CA . 52589 1
281 . 1 . 1 80 80 LEU CB C 13 42.193 0.3 . 1 . . . . . 78 LEU CB . 52589 1
282 . 1 . 1 80 80 LEU N N 15 121.925 0.3 . 1 . . . . . 78 LEU N . 52589 1
283 . 1 . 1 81 81 VAL H H 1 7.947 0.020 . 1 . . . . . 79 VAL H . 52589 1
284 . 1 . 1 81 81 VAL CA C 13 62.279 0.3 . 1 . . . . . 79 VAL CA . 52589 1
285 . 1 . 1 81 81 VAL CB C 13 32.742 0.3 . 1 . . . . . 79 VAL CB . 52589 1
286 . 1 . 1 81 81 VAL N N 15 119.749 0.3 . 1 . . . . . 79 VAL N . 52589 1
287 . 1 . 1 82 82 ALA H H 1 8.168 0.020 . 1 . . . . . 80 ALA H . 52589 1
288 . 1 . 1 82 82 ALA CA C 13 52.065 0.3 . 1 . . . . . 80 ALA CA . 52589 1
289 . 1 . 1 82 82 ALA CB C 13 19.292 0.3 . 1 . . . . . 80 ALA CB . 52589 1
290 . 1 . 1 82 82 ALA N N 15 126.208 0.3 . 1 . . . . . 80 ALA N . 52589 1
291 . 1 . 1 83 83 LEU H H 1 8.060 0.020 . 1 . . . . . 81 LEU H . 52589 1
292 . 1 . 1 83 83 LEU CA C 13 54.960 0.3 . 1 . . . . . 81 LEU CA . 52589 1
293 . 1 . 1 83 83 LEU CB C 13 42.253 0.3 . 1 . . . . . 81 LEU CB . 52589 1
294 . 1 . 1 83 83 LEU N N 15 120.867 0.3 . 1 . . . . . 81 LEU N . 52589 1
295 . 1 . 1 84 84 ILE H H 1 8.031 0.020 . 1 . . . . . 82 ILE H . 52589 1
296 . 1 . 1 84 84 ILE CA C 13 58.403 0.3 . 1 . . . . . 82 ILE CA . 52589 1
297 . 1 . 1 84 84 ILE CB C 13 38.470 0.3 . 1 . . . . . 82 ILE CB . 52589 1
298 . 1 . 1 84 84 ILE N N 15 123.035 0.3 . 1 . . . . . 82 ILE N . 52589 1
299 . 1 . 1 87 87 SER H H 1 8.069 0.020 . 1 . . . . . 85 SER H . 52589 1
300 . 1 . 1 87 87 SER CA C 13 58.337 0.3 . 1 . . . . . 85 SER CA . 52589 1
301 . 1 . 1 87 87 SER CB C 13 63.750 0.3 . 1 . . . . . 85 SER CB . 52589 1
302 . 1 . 1 87 87 SER N N 15 116.451 0.3 . 1 . . . . . 85 SER N . 52589 1
303 . 1 . 1 88 88 ASP H H 1 8.229 0.020 . 1 . . . . . 86 ASP H . 52589 1
304 . 1 . 1 88 88 ASP CA C 13 54.412 0.3 . 1 . . . . . 86 ASP CA . 52589 1
305 . 1 . 1 88 88 ASP CB C 13 41.055 0.3 . 1 . . . . . 86 ASP CB . 52589 1
306 . 1 . 1 88 88 ASP N N 15 122.508 0.3 . 1 . . . . . 86 ASP N . 52589 1
307 . 1 . 1 89 89 GLN H H 1 8.338 0.020 . 1 . . . . . 87 GLN H . 52589 1
308 . 1 . 1 89 89 GLN CA C 13 56.709 0.3 . 1 . . . . . 87 GLN CA . 52589 1
309 . 1 . 1 89 89 GLN CB C 13 28.800 0.3 . 1 . . . . . 87 GLN CB . 52589 1
310 . 1 . 1 89 89 GLN N N 15 121.030 0.3 . 1 . . . . . 87 GLN N . 52589 1
311 . 1 . 1 90 90 ARG H H 1 8.270 0.020 . 1 . . . . . 88 ARG H . 52589 1
312 . 1 . 1 90 90 ARG CA C 13 56.753 0.3 . 1 . . . . . 88 ARG CA . 52589 1
313 . 1 . 1 90 90 ARG CB C 13 30.330 0.3 . 1 . . . . . 88 ARG CB . 52589 1
314 . 1 . 1 90 90 ARG N N 15 120.045 0.3 . 1 . . . . . 88 ARG N . 52589 1
315 . 1 . 1 91 91 LEU H H 1 7.891 0.020 . 1 . . . . . 89 LEU H . 52589 1
316 . 1 . 1 91 91 LEU CA C 13 55.207 0.3 . 1 . . . . . 89 LEU CA . 52589 1
317 . 1 . 1 91 91 LEU CB C 13 42.274 0.3 . 1 . . . . . 89 LEU CB . 52589 1
318 . 1 . 1 91 91 LEU N N 15 121.155 0.3 . 1 . . . . . 89 LEU N . 52589 1
319 . 1 . 1 92 92 ARG H H 1 7.947 0.020 . 1 . . . . . 90 ARG H . 52589 1
320 . 1 . 1 92 92 ARG CA C 13 53.248 0.3 . 1 . . . . . 90 ARG CA . 52589 1
321 . 1 . 1 92 92 ARG CB C 13 31.588 0.3 . 1 . . . . . 90 ARG CB . 52589 1
322 . 1 . 1 92 92 ARG N N 15 120.433 0.3 . 1 . . . . . 90 ARG N . 52589 1
323 . 1 . 1 94 94 ARG H H 1 8.470 0.020 . 1 . . . . . 92 ARG H . 52589 1
324 . 1 . 1 94 94 ARG CA C 13 55.925 0.3 . 1 . . . . . 92 ARG CA . 52589 1
325 . 1 . 1 94 94 ARG CB C 13 30.859 0.3 . 1 . . . . . 92 ARG CB . 52589 1
326 . 1 . 1 94 94 ARG N N 15 121.670 0.3 . 1 . . . . . 92 ARG N . 52589 1
327 . 1 . 1 95 95 ARG H H 1 8.491 0.020 . 1 . . . . . 93 ARG H . 52589 1
328 . 1 . 1 95 95 ARG CA C 13 55.923 0.3 . 1 . . . . . 93 ARG CA . 52589 1
329 . 1 . 1 95 95 ARG CB C 13 30.919 0.3 . 1 . . . . . 93 ARG CB . 52589 1
330 . 1 . 1 95 95 ARG N N 15 122.739 0.3 . 1 . . . . . 93 ARG N . 52589 1
331 . 1 . 1 96 96 THR H H 1 8.279 0.020 . 1 . . . . . 94 THR H . 52589 1
332 . 1 . 1 96 96 THR CA C 13 61.685 0.3 . 1 . . . . . 94 THR CA . 52589 1
333 . 1 . 1 96 96 THR CB C 13 69.866 0.3 . 1 . . . . . 94 THR CB . 52589 1
334 . 1 . 1 96 96 THR N N 15 115.727 0.3 . 1 . . . . . 94 THR N . 52589 1
335 . 1 . 1 97 97 LYS H H 1 7.964 0.020 . 1 . . . . . 95 LYS H . 52589 1
336 . 1 . 1 97 97 LYS CA C 13 57.925 0.3 . 1 . . . . . 95 LYS CA . 52589 1
337 . 1 . 1 97 97 LYS CB C 13 33.566 0.3 . 1 . . . . . 95 LYS CB . 52589 1
338 . 1 . 1 97 97 LYS N N 15 127.934 0.3 . 1 . . . . . 95 LYS N . 52589 1
stop_
save_