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 51018
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_shift_phospho
_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
2 '3D HNCO' . . . 51018 1
3 '3D HNCACB' . . . 51018 1
5 '3D HNCA' . . . 51018 1
6 '3D HN(CA)CO' . . . 51018 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 . . 51018 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 2 2 SER H H 1 8.15712 0.01 . 1 . . . . . 614 SER H . 51018 1
2 . 1 . 1 2 2 SER C C 13 177.4283 0.1 . 1 . . . . . 614 SER C . 51018 1
3 . 1 . 1 2 2 SER CA C 13 59.9698 0.1 . 1 . . . . . 614 SER CA . 51018 1
4 . 1 . 1 2 2 SER CB C 13 69.6825 0.1 . 1 . . . . . 614 SER CB . 51018 1
5 . 1 . 1 2 2 SER N N 15 118.56808 0.1 . 1 . . . . . 614 SER N . 51018 1
6 . 1 . 1 4 4 MET H H 1 8.36527 0.01 . 1 . . . . . 616 MET H . 51018 1
7 . 1 . 1 4 4 MET C C 13 173.9703 0.1 . 1 . . . . . 616 MET C . 51018 1
8 . 1 . 1 4 4 MET CA C 13 55.4607 0.1 . 1 . . . . . 616 MET CA . 51018 1
9 . 1 . 1 4 4 MET CB C 13 32.7348 0.1 . 1 . . . . . 616 MET CB . 51018 1
10 . 1 . 1 4 4 MET N N 15 120.48475 0.1 . 1 . . . . . 616 MET N . 51018 1
11 . 1 . 1 5 5 ILE H H 1 8.12128 0.01 . 1 . . . . . 617 ILE H . 51018 1
12 . 1 . 1 5 5 ILE C C 13 175.6728 0.1 . 1 . . . . . 617 ILE C . 51018 1
13 . 1 . 1 5 5 ILE CA C 13 60.4517 0.1 . 1 . . . . . 617 ILE CA . 51018 1
14 . 1 . 1 5 5 ILE CB C 13 38.5547 0.1 . 1 . . . . . 617 ILE CB . 51018 1
15 . 1 . 1 5 5 ILE N N 15 123.03259 0.1 . 1 . . . . . 617 ILE N . 51018 1
16 . 1 . 1 6 6 LYS H H 1 8.40736 0.01 . 1 . . . . . 618 LYS H . 51018 1
17 . 1 . 1 6 6 LYS C C 13 175.8274 0.1 . 1 . . . . . 618 LYS C . 51018 1
18 . 1 . 1 6 6 LYS CA C 13 54.0105 0.1 . 1 . . . . . 618 LYS CA . 51018 1
19 . 1 . 1 6 6 LYS CB C 13 32.6823 0.1 . 1 . . . . . 618 LYS CB . 51018 1
20 . 1 . 1 6 6 LYS N N 15 127.38706 0.1 . 1 . . . . . 618 LYS N . 51018 1
21 . 1 . 1 8 8 LYS H H 1 8.47005 0.01 . 1 . . . . . 620 LYS H . 51018 1
22 . 1 . 1 8 8 LYS C C 13 174.7183 0.1 . 1 . . . . . 620 LYS C . 51018 1
23 . 1 . 1 8 8 LYS CA C 13 56.5008 0.1 . 1 . . . . . 620 LYS CA . 51018 1
24 . 1 . 1 8 8 LYS CB C 13 33.083 0.1 . 1 . . . . . 620 LYS CB . 51018 1
25 . 1 . 1 8 8 LYS N N 15 121.80919 0.1 . 1 . . . . . 620 LYS N . 51018 1
26 . 1 . 1 9 9 GLY H H 1 8.41559 0.01 . 1 . . . . . 621 GLY H . 51018 1
27 . 1 . 1 9 9 GLY C C 13 174.3493 0.1 . 1 . . . . . 621 GLY C . 51018 1
28 . 1 . 1 9 9 GLY CA C 13 45.2871 0.1 . 1 . . . . . 621 GLY CA . 51018 1
29 . 1 . 1 9 9 GLY N N 15 110.06808 0.1 . 1 . . . . . 621 GLY N . 51018 1
30 . 1 . 1 10 10 ASP H H 1 8.25619 0.01 . 1 . . . . . 622 ASP H . 51018 1
31 . 1 . 1 10 10 ASP C C 13 177.8188 0.1 . 1 . . . . . 622 ASP C . 51018 1
32 . 1 . 1 10 10 ASP CA C 13 54.4979 0.1 . 1 . . . . . 622 ASP CA . 51018 1
33 . 1 . 1 10 10 ASP CB C 13 41.2367 0.1 . 1 . . . . . 622 ASP CB . 51018 1
34 . 1 . 1 10 10 ASP N N 15 120.47025 0.1 . 1 . . . . . 622 ASP N . 51018 1
35 . 1 . 1 11 11 LYS H H 1 8.29056 0.01 . 1 . . . . . 623 LYS H . 51018 1
36 . 1 . 1 11 11 LYS C C 13 173.7935 0.1 . 1 . . . . . 623 LYS C . 51018 1
37 . 1 . 1 11 11 LYS CA C 13 56.4797 0.1 . 1 . . . . . 623 LYS CA . 51018 1
38 . 1 . 1 11 11 LYS CB C 13 30.1106 0.1 . 1 . . . . . 623 LYS CB . 51018 1
39 . 1 . 1 11 11 LYS N N 15 121.36458 0.1 . 1 . . . . . 623 LYS N . 51018 1
40 . 1 . 1 12 12 GLN H H 1 8.34467 0.01 . 1 . . . . . 624 GLN H . 51018 1
41 . 1 . 1 12 12 GLN C C 13 175.2536 0.1 . 1 . . . . . 624 GLN C . 51018 1
42 . 1 . 1 12 12 GLN CA C 13 56.4238 0.1 . 1 . . . . . 624 GLN CA . 51018 1
43 . 1 . 1 12 12 GLN CB C 13 30.4127 0.1 . 1 . . . . . 624 GLN CB . 51018 1
44 . 1 . 1 12 12 GLN N N 15 122.31757 0.1 . 1 . . . . . 624 GLN N . 51018 1
45 . 1 . 1 15 15 TYR H H 1 8.2037 0.01 . 1 . . . . . 627 TYR H . 51018 1
46 . 1 . 1 15 15 TYR C C 13 175.6387 0.1 . 1 . . . . . 627 TYR C . 51018 1
47 . 1 . 1 15 15 TYR CA C 13 57.6051 0.1 . 1 . . . . . 627 TYR CA . 51018 1
48 . 1 . 1 15 15 TYR CB C 13 38.752 0.1 . 1 . . . . . 627 TYR CB . 51018 1
49 . 1 . 1 15 15 TYR N N 15 120.8433 0.1 . 1 . . . . . 627 TYR N . 51018 1
50 . 1 . 1 16 16 LEU H H 1 8.1216 0.01 . 1 . . . . . 628 LEU H . 51018 1
51 . 1 . 1 16 16 LEU C C 13 175.9201 0.1 . 1 . . . . . 628 LEU C . 51018 1
52 . 1 . 1 16 16 LEU CA C 13 54.9631 0.1 . 1 . . . . . 628 LEU CA . 51018 1
53 . 1 . 1 16 16 LEU CB C 13 42.7524 0.1 . 1 . . . . . 628 LEU CB . 51018 1
54 . 1 . 1 16 16 LEU N N 15 123.0375 0.1 . 1 . . . . . 628 LEU N . 51018 1
55 . 1 . 1 17 17 ASP H H 1 8.20482 0.01 . 1 . . . . . 629 ASP H . 51018 1
56 . 1 . 1 17 17 ASP C C 13 174.4302 0.1 . 1 . . . . . 629 ASP C . 51018 1
57 . 1 . 1 17 17 ASP CA C 13 54.4383 0.1 . 1 . . . . . 629 ASP CA . 51018 1
58 . 1 . 1 17 17 ASP CB C 13 40.8241 0.1 . 1 . . . . . 629 ASP CB . 51018 1
59 . 1 . 1 17 17 ASP N N 15 120.83438 0.1 . 1 . . . . . 629 ASP N . 51018 1
60 . 1 . 1 18 18 LEU H H 1 8.14456 0.01 . 1 . . . . . 630 LEU H . 51018 1
61 . 1 . 1 18 18 LEU C C 13 175.137 0.1 . 1 . . . . . 630 LEU C . 51018 1
62 . 1 . 1 18 18 LEU CA C 13 55.0238 0.1 . 1 . . . . . 630 LEU CA . 51018 1
63 . 1 . 1 18 18 LEU CB C 13 42.6704 0.1 . 1 . . . . . 630 LEU CB . 51018 1
64 . 1 . 1 18 18 LEU N N 15 122.93132 0.1 . 1 . . . . . 630 LEU N . 51018 1
65 . 1 . 1 19 19 ASP H H 1 8.34206 0.01 . 1 . . . . . 631 ASP H . 51018 1
66 . 1 . 1 19 19 ASP C C 13 175.0426 0.1 . 1 . . . . . 631 ASP C . 51018 1
67 . 1 . 1 19 19 ASP CA C 13 54.0467 0.1 . 1 . . . . . 631 ASP CA . 51018 1
68 . 1 . 1 19 19 ASP CB C 13 40.7817 0.1 . 1 . . . . . 631 ASP CB . 51018 1
69 . 1 . 1 19 19 ASP N N 15 121.3947 0.1 . 1 . . . . . 631 ASP N . 51018 1
70 . 1 . 1 20 20 LEU H H 1 8.10832 0.01 . 1 . . . . . 632 LEU H . 51018 1
71 . 1 . 1 20 20 LEU C C 13 175.5389 0.1 . 1 . . . . . 632 LEU C . 51018 1
72 . 1 . 1 20 20 LEU CA C 13 55.5562 0.1 . 1 . . . . . 632 LEU CA . 51018 1
73 . 1 . 1 20 20 LEU CB C 13 42.2518 0.1 . 1 . . . . . 632 LEU CB . 51018 1
74 . 1 . 1 20 20 LEU N N 15 122.6857 0.1 . 1 . . . . . 632 LEU N . 51018 1
75 . 1 . 1 21 21 ASP H H 1 8.3454 0.01 . 1 . . . . . 633 ASP H . 51018 1
76 . 1 . 1 21 21 ASP C C 13 173.9326 0.1 . 1 . . . . . 633 ASP C . 51018 1
77 . 1 . 1 21 21 ASP CA C 13 54.6269 0.1 . 1 . . . . . 633 ASP CA . 51018 1
78 . 1 . 1 21 21 ASP CB C 13 41.2265 0.1 . 1 . . . . . 633 ASP CB . 51018 1
79 . 1 . 1 21 21 ASP N N 15 120.28266 0.1 . 1 . . . . . 633 ASP N . 51018 1
80 . 1 . 1 22 22 SER H H 1 8.20278 0.01 . 1 . . . . . 634 SER H . 51018 1
81 . 1 . 1 22 22 SER C C 13 174.8778 0.1 . 1 . . . . . 634 SER C . 51018 1
82 . 1 . 1 22 22 SER CA C 13 59.1689 0.1 . 1 . . . . . 634 SER CA . 51018 1
83 . 1 . 1 22 22 SER CB C 13 63.5867 0.1 . 1 . . . . . 634 SER CB . 51018 1
84 . 1 . 1 22 22 SER N N 15 116.49699 0.1 . 1 . . . . . 634 SER N . 51018 1
85 . 1 . 1 23 23 GLY H H 1 8.48528 0.01 . 1 . . . . . 635 GLY H . 51018 1
86 . 1 . 1 23 23 GLY C C 13 176.0466 0.1 . 1 . . . . . 635 GLY C . 51018 1
87 . 1 . 1 23 23 GLY CA C 13 45.4955 0.1 . 1 . . . . . 635 GLY CA . 51018 1
88 . 1 . 1 23 23 GLY N N 15 110.70036 0.1 . 1 . . . . . 635 GLY N . 51018 1
89 . 1 . 1 24 24 LYS H H 1 7.96603 0.01 . 1 . . . . . 636 LYS H . 51018 1
90 . 1 . 1 24 24 LYS C C 13 177.1996 0.1 . 1 . . . . . 636 LYS C . 51018 1
91 . 1 . 1 24 24 LYS CA C 13 56.3999 0.1 . 1 . . . . . 636 LYS CA . 51018 1
92 . 1 . 1 24 24 LYS CB C 13 33.0682 0.1 . 1 . . . . . 636 LYS CB . 51018 1
93 . 1 . 1 24 24 LYS N N 15 120.23188 0.1 . 1 . . . . . 636 LYS N . 51018 1
94 . 1 . 1 31 31 GLN H H 1 8.43007 0.01 . 1 . . . . . 643 GLN H . 51018 1
95 . 1 . 1 31 31 GLN C C 13 175.2385 0.1 . 1 . . . . . 643 GLN C . 51018 1
96 . 1 . 1 31 31 GLN CA C 13 55.874 0.1 . 1 . . . . . 643 GLN CA . 51018 1
97 . 1 . 1 31 31 GLN CB C 13 29.6113 0.1 . 1 . . . . . 643 GLN CB . 51018 1
98 . 1 . 1 31 31 GLN N N 15 123.9686 0.1 . 1 . . . . . 643 GLN N . 51018 1
99 . 1 . 1 32 32 LYS H H 1 8.5113 0.01 . 1 . . . . . 644 LYS H . 51018 1
100 . 1 . 1 32 32 LYS C C 13 175.7508 0.1 . 1 . . . . . 644 LYS C . 51018 1
101 . 1 . 1 32 32 LYS CA C 13 56.2657 0.1 . 1 . . . . . 644 LYS CA . 51018 1
102 . 1 . 1 32 32 LYS CB C 13 33.0171 0.1 . 1 . . . . . 644 LYS CB . 51018 1
103 . 1 . 1 32 32 LYS N N 15 123.46117 0.1 . 1 . . . . . 644 LYS N . 51018 1
104 . 1 . 1 33 33 SER H H 1 8.48196 0.01 . 1 . . . . . 645 SER H . 51018 1
105 . 1 . 1 33 33 SER C C 13 174.9819 0.1 . 1 . . . . . 645 SER C . 51018 1
106 . 1 . 1 33 33 SER CA C 13 58.4451 0.1 . 1 . . . . . 645 SER CA . 51018 1
107 . 1 . 1 33 33 SER CB C 13 63.9659 0.1 . 1 . . . . . 645 SER CB . 51018 1
108 . 1 . 1 33 33 SER N N 15 117.60958 0.1 . 1 . . . . . 645 SER N . 51018 1
109 . 1 . 1 34 34 SER H H 1 8.43815 0.01 . 1 . . . . . 646 SER H . 51018 1
110 . 1 . 1 34 34 SER C C 13 177.0345 0.1 . 1 . . . . . 646 SER C . 51018 1
111 . 1 . 1 34 34 SER CA C 13 58.5697 0.1 . 1 . . . . . 646 SER CA . 51018 1
112 . 1 . 1 34 34 SER CB C 13 63.6655 0.1 . 1 . . . . . 646 SER CB . 51018 1
113 . 1 . 1 34 34 SER N N 15 118.19719 0.1 . 1 . . . . . 646 SER N . 51018 1
114 . 1 . 1 35 35 GLY H H 1 8.47282 0.01 . 1 . . . . . 647 GLY H . 51018 1
115 . 1 . 1 35 35 GLY C C 13 176.5586 0.1 . 1 . . . . . 647 GLY C . 51018 1
116 . 1 . 1 35 35 GLY CA C 13 45.3112 0.1 . 1 . . . . . 647 GLY CA . 51018 1
117 . 1 . 1 35 35 GLY N N 15 110.84003 0.1 . 1 . . . . . 647 GLY N . 51018 1
118 . 1 . 1 36 36 SER H H 1 8.34117 0.01 . 1 . . . . . 648 SER H . 51018 1
119 . 1 . 1 36 36 SER C C 13 176.8299 0.1 . 1 . . . . . 648 SER C . 51018 1
120 . 1 . 1 36 36 SER CA C 13 58.5148 0.1 . 1 . . . . . 648 SER CA . 51018 1
121 . 1 . 1 36 36 SER CB C 13 64.0615 0.1 . 1 . . . . . 648 SER CB . 51018 1
122 . 1 . 1 36 36 SER N N 15 115.7973 0.1 . 1 . . . . . 648 SER N . 51018 1
123 . 1 . 1 37 37 GLY H H 1 8.5352 0.01 . 1 . . . . . 649 GLY H . 51018 1
124 . 1 . 1 37 37 GLY C C 13 176.4214 0.1 . 1 . . . . . 649 GLY C . 51018 1
125 . 1 . 1 37 37 GLY CA C 13 45.3658 0.1 . 1 . . . . . 649 GLY CA . 51018 1
126 . 1 . 1 37 37 GLY N N 15 111.2479 0.1 . 1 . . . . . 649 GLY N . 51018 1
127 . 1 . 1 38 38 SER H H 1 8.23286 0.01 . 1 . . . . . 650 SER H . 51018 1
128 . 1 . 1 38 38 SER C C 13 177.4157 0.1 . 1 . . . . . 650 SER C . 51018 1
129 . 1 . 1 38 38 SER CA C 13 58.1869 0.1 . 1 . . . . . 650 SER CA . 51018 1
130 . 1 . 1 38 38 SER CB C 13 64.0286 0.1 . 1 . . . . . 650 SER CB . 51018 1
131 . 1 . 1 38 38 SER N N 15 115.68624 0.1 . 1 . . . . . 650 SER N . 51018 1
132 . 1 . 1 39 39 SER H H 1 8.27281 0.01 . 1 . . . . . 651 SER H . 51018 1
133 . 1 . 1 39 39 SER C C 13 177.4312 0.1 . 1 . . . . . 651 SER C . 51018 1
134 . 1 . 1 39 39 SER CA C 13 56.4494 0.1 . 1 . . . . . 651 SER CA . 51018 1
135 . 1 . 1 39 39 SER CB C 13 63.4279 0.1 . 1 . . . . . 651 SER CB . 51018 1
136 . 1 . 1 39 39 SER N N 15 118.7247 0.1 . 1 . . . . . 651 SER N . 51018 1
137 . 1 . 1 40 40 VAL H H 1 8.16758 0.01 . 1 . . . . . 652 VAL H . 51018 1
138 . 1 . 1 40 40 VAL C C 13 177.3006 0.1 . 1 . . . . . 652 VAL C . 51018 1
139 . 1 . 1 40 40 VAL CA C 13 62.2188 0.1 . 1 . . . . . 652 VAL CA . 51018 1
140 . 1 . 1 40 40 VAL CB C 13 32.8239 0.1 . 1 . . . . . 652 VAL CB . 51018 1
141 . 1 . 1 40 40 VAL N N 15 122.14497 0.1 . 1 . . . . . 652 VAL N . 51018 1
142 . 1 . 1 41 41 ALA H H 1 8.30757 0.01 . 1 . . . . . 653 ALA H . 51018 1
143 . 1 . 1 41 41 ALA C C 13 175.6007 0.1 . 1 . . . . . 653 ALA C . 51018 1
144 . 1 . 1 41 41 ALA CA C 13 52.6614 0.1 . 1 . . . . . 653 ALA CA . 51018 1
145 . 1 . 1 41 41 ALA CB C 13 19.0902 0.1 . 1 . . . . . 653 ALA CB . 51018 1
146 . 1 . 1 41 41 ALA N N 15 127.19781 0.1 . 1 . . . . . 653 ALA N . 51018 1
147 . 1 . 1 42 42 ASP H H 1 8.19265 0.01 . 1 . . . . . 654 ASP H . 51018 1
148 . 1 . 1 42 42 ASP C C 13 174.1839 0.1 . 1 . . . . . 654 ASP C . 51018 1
149 . 1 . 1 42 42 ASP CA C 13 54.444 0.1 . 1 . . . . . 654 ASP CA . 51018 1
150 . 1 . 1 42 42 ASP CB C 13 41.2007 0.1 . 1 . . . . . 654 ASP CB . 51018 1
151 . 1 . 1 42 42 ASP N N 15 119.69432 0.1 . 1 . . . . . 654 ASP N . 51018 1
152 . 1 . 1 43 43 GLU H H 1 8.23521 0.01 . 1 . . . . . 655 GLU H . 51018 1
153 . 1 . 1 43 43 GLU C C 13 175.3586 0.1 . 1 . . . . . 655 GLU C . 51018 1
154 . 1 . 1 43 43 GLU CA C 13 54.4119 0.1 . 1 . . . . . 655 GLU CA . 51018 1
155 . 1 . 1 43 43 GLU CB C 13 32.947 0.1 . 1 . . . . . 655 GLU CB . 51018 1
156 . 1 . 1 43 43 GLU N N 15 121.03432 0.1 . 1 . . . . . 655 GLU N . 51018 1
157 . 1 . 1 44 44 ARG H H 1 8.45908 0.01 . 1 . . . . . 656 ARG H . 51018 1
158 . 1 . 1 44 44 ARG C C 13 175.1505 0.1 . 1 . . . . . 656 ARG C . 51018 1
159 . 1 . 1 44 44 ARG CA C 13 55.9334 0.1 . 1 . . . . . 656 ARG CA . 51018 1
160 . 1 . 1 44 44 ARG CB C 13 29.0791 0.1 . 1 . . . . . 656 ARG CB . 51018 1
161 . 1 . 1 44 44 ARG N N 15 122.33366 0.1 . 1 . . . . . 656 ARG N . 51018 1
162 . 1 . 1 45 45 VAL H H 1 8.09209 0.01 . 1 . . . . . 657 VAL H . 51018 1
163 . 1 . 1 45 45 VAL C C 13 175.5694 0.1 . 1 . . . . . 657 VAL C . 51018 1
164 . 1 . 1 45 45 VAL CA C 13 62.5424 0.1 . 1 . . . . . 657 VAL CA . 51018 1
165 . 1 . 1 45 45 VAL CB C 13 32.6461 0.1 . 1 . . . . . 657 VAL CB . 51018 1
166 . 1 . 1 45 45 VAL N N 15 120.82227 0.1 . 1 . . . . . 657 VAL N . 51018 1
167 . 1 . 1 46 46 ASP H H 1 8.36399 0.01 . 1 . . . . . 658 ASP H . 51018 1
168 . 1 . 1 46 46 ASP C C 13 175.7244 0.1 . 1 . . . . . 658 ASP C . 51018 1
169 . 1 . 1 46 46 ASP CA C 13 54.3747 0.1 . 1 . . . . . 658 ASP CA . 51018 1
170 . 1 . 1 46 46 ASP CB C 13 40.8967 0.1 . 1 . . . . . 658 ASP CB . 51018 1
171 . 1 . 1 46 46 ASP N N 15 123.47758 0.1 . 1 . . . . . 658 ASP N . 51018 1
172 . 1 . 1 47 47 TYR H H 1 8.00066 0.01 . 1 . . . . . 659 TYR H . 51018 1
173 . 1 . 1 47 47 TYR C C 13 176.0541 0.1 . 1 . . . . . 659 TYR C . 51018 1
174 . 1 . 1 47 47 TYR CA C 13 57.9848 0.1 . 1 . . . . . 659 TYR CA . 51018 1
175 . 1 . 1 47 47 TYR CB C 13 39.1718 0.1 . 1 . . . . . 659 TYR CB . 51018 1
176 . 1 . 1 47 47 TYR N N 15 120.4522 0.1 . 1 . . . . . 659 TYR N . 51018 1
177 . 1 . 1 48 48 VAL H H 1 8.01925 0.01 . 1 . . . . . 660 VAL H . 51018 1
178 . 1 . 1 48 48 VAL C C 13 176.2705 0.1 . 1 . . . . . 660 VAL C . 51018 1
179 . 1 . 1 48 48 VAL CA C 13 62.4283 0.1 . 1 . . . . . 660 VAL CA . 51018 1
180 . 1 . 1 48 48 VAL CB C 13 32.8933 0.1 . 1 . . . . . 660 VAL CB . 51018 1
181 . 1 . 1 48 48 VAL N N 15 122.89294 0.1 . 1 . . . . . 660 VAL N . 51018 1
182 . 1 . 1 49 49 VAL H H 1 8.19959 0.01 . 1 . . . . . 661 VAL H . 51018 1
183 . 1 . 1 49 49 VAL C C 13 176.0335 0.1 . 1 . . . . . 661 VAL C . 51018 1
184 . 1 . 1 49 49 VAL CA C 13 62.5924 0.1 . 1 . . . . . 661 VAL CA . 51018 1
185 . 1 . 1 49 49 VAL CB C 13 32.566 0.1 . 1 . . . . . 661 VAL CB . 51018 1
186 . 1 . 1 49 49 VAL N N 15 125.23151 0.1 . 1 . . . . . 661 VAL N . 51018 1
187 . 1 . 1 50 50 VAL H H 1 8.28168 0.01 . 1 . . . . . 662 VAL H . 51018 1
188 . 1 . 1 50 50 VAL C C 13 175.271 0.1 . 1 . . . . . 662 VAL C . 51018 1
189 . 1 . 1 50 50 VAL CA C 13 62.5933 0.1 . 1 . . . . . 662 VAL CA . 51018 1
190 . 1 . 1 50 50 VAL CB C 13 32.5829 0.1 . 1 . . . . . 662 VAL CB . 51018 1
191 . 1 . 1 50 50 VAL N N 15 124.9533 0.1 . 1 . . . . . 662 VAL N . 51018 1
192 . 1 . 1 51 51 ASP H H 1 8.40815 0.01 . 1 . . . . . 663 ASP H . 51018 1
193 . 1 . 1 51 51 ASP C C 13 175.6419 0.1 . 1 . . . . . 663 ASP C . 51018 1
194 . 1 . 1 51 51 ASP CA C 13 54.4348 0.1 . 1 . . . . . 663 ASP CA . 51018 1
195 . 1 . 1 51 51 ASP CB C 13 41.097 0.1 . 1 . . . . . 663 ASP CB . 51018 1
196 . 1 . 1 51 51 ASP N N 15 124.02474 0.1 . 1 . . . . . 663 ASP N . 51018 1
197 . 1 . 1 52 52 GLN H H 1 8.44822 0.01 . 1 . . . . . 664 GLN H . 51018 1
198 . 1 . 1 52 52 GLN C C 13 175.2786 0.1 . 1 . . . . . 664 GLN C . 51018 1
199 . 1 . 1 52 52 GLN CA C 13 56.0141 0.1 . 1 . . . . . 664 GLN CA . 51018 1
200 . 1 . 1 52 52 GLN CB C 13 29.1796 0.1 . 1 . . . . . 664 GLN CB . 51018 1
201 . 1 . 1 52 52 GLN N N 15 121.18884 0.1 . 1 . . . . . 664 GLN N . 51018 1
202 . 1 . 1 53 53 GLN H H 1 8.41253 0.01 . 1 . . . . . 665 GLN H . 51018 1
203 . 1 . 1 53 53 GLN C C 13 175.0186 0.1 . 1 . . . . . 665 GLN C . 51018 1
204 . 1 . 1 53 53 GLN CA C 13 56.9226 0.1 . 1 . . . . . 665 GLN CA . 51018 1
205 . 1 . 1 53 53 GLN CB C 13 28.9982 0.1 . 1 . . . . . 665 GLN CB . 51018 1
206 . 1 . 1 53 53 GLN N N 15 119.90818 0.1 . 1 . . . . . 665 GLN N . 51018 1
207 . 1 . 1 54 54 LYS H H 1 8.20028 0.01 . 1 . . . . . 666 LYS H . 51018 1
208 . 1 . 1 54 54 LYS C C 13 174.7423 0.1 . 1 . . . . . 666 LYS C . 51018 1
209 . 1 . 1 54 54 LYS CA C 13 57.0563 0.1 . 1 . . . . . 666 LYS CA . 51018 1
210 . 1 . 1 54 54 LYS CB C 13 32.9042 0.1 . 1 . . . . . 666 LYS CB . 51018 1
211 . 1 . 1 54 54 LYS N N 15 121.48672 0.1 . 1 . . . . . 666 LYS N . 51018 1
212 . 1 . 1 55 55 THR H H 1 8.04568 0.01 . 1 . . . . . 667 THR H . 51018 1
213 . 1 . 1 55 55 THR C C 13 174.387 0.1 . 1 . . . . . 667 THR C . 51018 1
214 . 1 . 1 55 55 THR CA C 13 62.9755 0.1 . 1 . . . . . 667 THR CA . 51018 1
215 . 1 . 1 55 55 THR CB C 13 69.6405 0.1 . 1 . . . . . 667 THR CB . 51018 1
216 . 1 . 1 55 55 THR N N 15 115.05697 0.1 . 1 . . . . . 667 THR N . 51018 1
217 . 1 . 1 56 56 LEU H H 1 8.14781 0.01 . 1 . . . . . 668 LEU H . 51018 1
218 . 1 . 1 56 56 LEU C C 13 176.7342 0.1 . 1 . . . . . 668 LEU C . 51018 1
219 . 1 . 1 56 56 LEU CA C 13 55.5674 0.1 . 1 . . . . . 668 LEU CA . 51018 1
220 . 1 . 1 56 56 LEU CB C 13 42.2279 0.1 . 1 . . . . . 668 LEU CB . 51018 1
221 . 1 . 1 56 56 LEU N N 15 124.30299 0.1 . 1 . . . . . 668 LEU N . 51018 1
222 . 1 . 1 57 57 ALA H H 1 8.13642 0.01 . 1 . . . . . 669 ALA H . 51018 1
223 . 1 . 1 57 57 ALA C C 13 174.2406 0.1 . 1 . . . . . 669 ALA C . 51018 1
224 . 1 . 1 57 57 ALA CA C 13 52.7053 0.1 . 1 . . . . . 669 ALA CA . 51018 1
225 . 1 . 1 57 57 ALA CB C 13 18.82 0.1 . 1 . . . . . 669 ALA CB . 51018 1
226 . 1 . 1 57 57 ALA N N 15 124.20921 0.1 . 1 . . . . . 669 ALA N . 51018 1
227 . 1 . 1 58 58 LEU H H 1 8.02915 0.01 . 1 . . . . . 670 LEU H . 51018 1
228 . 1 . 1 58 58 LEU C C 13 173.7019 0.1 . 1 . . . . . 670 LEU C . 51018 1
229 . 1 . 1 58 58 LEU CA C 13 55.4006 0.1 . 1 . . . . . 670 LEU CA . 51018 1
230 . 1 . 1 58 58 LEU CB C 13 42.2467 0.1 . 1 . . . . . 670 LEU CB . 51018 1
231 . 1 . 1 58 58 LEU N N 15 120.94559 0.1 . 1 . . . . . 670 LEU N . 51018 1
232 . 1 . 1 59 59 LYS H H 1 8.21432 0.01 . 1 . . . . . 671 LYS H . 51018 1
233 . 1 . 1 59 59 LYS C C 13 173.9171 0.1 . 1 . . . . . 671 LYS C . 51018 1
234 . 1 . 1 59 59 LYS CA C 13 56.5926 0.1 . 1 . . . . . 671 LYS CA . 51018 1
235 . 1 . 1 59 59 LYS CB C 13 32.9261 0.1 . 1 . . . . . 671 LYS CB . 51018 1
236 . 1 . 1 59 59 LYS N N 15 121.70362 0.1 . 1 . . . . . 671 LYS N . 51018 1
237 . 1 . 1 60 60 SER H H 1 8.30536 0.01 . 1 . . . . . 672 SER H . 51018 1
238 . 1 . 1 60 60 SER C C 13 174.9522 0.1 . 1 . . . . . 672 SER C . 51018 1
239 . 1 . 1 60 60 SER CA C 13 58.4734 0.1 . 1 . . . . . 672 SER CA . 51018 1
240 . 1 . 1 60 60 SER CB C 13 63.7634 0.1 . 1 . . . . . 672 SER CB . 51018 1
241 . 1 . 1 60 60 SER N N 15 116.31097 0.1 . 1 . . . . . 672 SER N . 51018 1
242 . 1 . 1 61 61 THR H H 1 8.14908 0.01 . 1 . . . . . 673 THR H . 51018 1
243 . 1 . 1 61 61 THR C C 13 176.6181 0.1 . 1 . . . . . 673 THR C . 51018 1
244 . 1 . 1 61 61 THR CA C 13 62.0833 0.1 . 1 . . . . . 673 THR CA . 51018 1
245 . 1 . 1 61 61 THR CB C 13 69.6437 0.1 . 1 . . . . . 673 THR CB . 51018 1
246 . 1 . 1 61 61 THR N N 15 115.83436 0.1 . 1 . . . . . 673 THR N . 51018 1
247 . 1 . 1 62 62 ARG H H 1 8.23858 0.01 . 1 . . . . . 674 ARG H . 51018 1
248 . 1 . 1 62 62 ARG C C 13 175.5187 0.1 . 1 . . . . . 674 ARG C . 51018 1
249 . 1 . 1 62 62 ARG CA C 13 56.4267 0.1 . 1 . . . . . 674 ARG CA . 51018 1
250 . 1 . 1 62 62 ARG CB C 13 30.7053 0.1 . 1 . . . . . 674 ARG CB . 51018 1
251 . 1 . 1 62 62 ARG N N 15 122.70598 0.1 . 1 . . . . . 674 ARG N . 51018 1
252 . 1 . 1 63 63 GLU H H 1 8.4301 0.01 . 1 . . . . . 675 GLU H . 51018 1
253 . 1 . 1 63 63 GLU C C 13 175.1973 0.1 . 1 . . . . . 675 GLU C . 51018 1
254 . 1 . 1 63 63 GLU CA C 13 56.5179 0.1 . 1 . . . . . 675 GLU CA . 51018 1
255 . 1 . 1 63 63 GLU CB C 13 30.547 0.1 . 1 . . . . . 675 GLU CB . 51018 1
256 . 1 . 1 63 63 GLU N N 15 121.50247 0.1 . 1 . . . . . 675 GLU N . 51018 1
257 . 1 . 1 64 64 ALA H H 1 8.38412 0.01 . 1 . . . . . 676 ALA H . 51018 1
258 . 1 . 1 64 64 ALA C C 13 175.4668 0.1 . 1 . . . . . 676 ALA C . 51018 1
259 . 1 . 1 64 64 ALA CA C 13 52.5042 0.1 . 1 . . . . . 676 ALA CA . 51018 1
260 . 1 . 1 64 64 ALA CB C 13 18.9512 0.1 . 1 . . . . . 676 ALA CB . 51018 1
261 . 1 . 1 64 64 ALA N N 15 124.41304 0.1 . 1 . . . . . 676 ALA N . 51018 1
262 . 1 . 1 65 65 TRP H H 1 8.07208 0.01 . 1 . . . . . 677 TRP H . 51018 1
263 . 1 . 1 65 65 TRP C C 13 174.9703 0.1 . 1 . . . . . 677 TRP C . 51018 1
264 . 1 . 1 65 65 TRP CA C 13 57.4147 0.1 . 1 . . . . . 677 TRP CA . 51018 1
265 . 1 . 1 65 65 TRP CB C 13 29.51 0.1 . 1 . . . . . 677 TRP CB . 51018 1
266 . 1 . 1 65 65 TRP N N 15 120.20857 0.1 . 1 . . . . . 677 TRP N . 51018 1
267 . 1 . 1 66 66 THR H H 1 7.87689 0.01 . 1 . . . . . 678 THR H . 51018 1
268 . 1 . 1 66 66 THR C C 13 175.0266 0.1 . 1 . . . . . 678 THR C . 51018 1
269 . 1 . 1 66 66 THR CA C 13 61.5584 0.1 . 1 . . . . . 678 THR CA . 51018 1
270 . 1 . 1 66 66 THR CB C 13 70.1599 0.1 . 1 . . . . . 678 THR CB . 51018 1
271 . 1 . 1 66 66 THR N N 15 115.59335 0.1 . 1 . . . . . 678 THR N . 51018 1
272 . 1 . 1 67 67 ASP H H 1 8.13233 0.01 . 1 . . . . . 679 ASP H . 51018 1
273 . 1 . 1 67 67 ASP C C 13 177.7789 0.1 . 1 . . . . . 679 ASP C . 51018 1
274 . 1 . 1 67 67 ASP CA C 13 54.3886 0.1 . 1 . . . . . 679 ASP CA . 51018 1
275 . 1 . 1 67 67 ASP CB C 13 41.0955 0.1 . 1 . . . . . 679 ASP CB . 51018 1
276 . 1 . 1 67 67 ASP N N 15 122.14804 0.1 . 1 . . . . . 679 ASP N . 51018 1
277 . 1 . 1 68 68 GLY H H 1 8.30826 0.01 . 1 . . . . . 680 GLY H . 51018 1
278 . 1 . 1 68 68 GLY C C 13 174.8387 0.1 . 1 . . . . . 680 GLY C . 51018 1
279 . 1 . 1 68 68 GLY CA C 13 45.4931 0.1 . 1 . . . . . 680 GLY CA . 51018 1
280 . 1 . 1 68 68 GLY N N 15 109.1945 0.1 . 1 . . . . . 680 GLY N . 51018 1
281 . 1 . 1 69 69 ARG H H 1 8.0392 0.01 . 1 . . . . . 681 ARG H . 51018 1
282 . 1 . 1 69 69 ARG C C 13 177.0813 0.1 . 1 . . . . . 681 ARG C . 51018 1
283 . 1 . 1 69 69 ARG CA C 13 56.3805 0.1 . 1 . . . . . 681 ARG CA . 51018 1
284 . 1 . 1 69 69 ARG CB C 13 30.5571 0.1 . 1 . . . . . 681 ARG CB . 51018 1
285 . 1 . 1 69 69 ARG N N 15 120.27837 0.1 . 1 . . . . . 681 ARG N . 51018 1
286 . 1 . 1 70 70 GLN H H 1 8.44802 0.01 . 1 . . . . . 682 GLN H . 51018 1
287 . 1 . 1 70 70 GLN C C 13 174.8944 0.1 . 1 . . . . . 682 GLN C . 51018 1
288 . 1 . 1 70 70 GLN CA C 13 55.7815 0.1 . 1 . . . . . 682 GLN CA . 51018 1
289 . 1 . 1 70 70 GLN CB C 13 29.2602 0.1 . 1 . . . . . 682 GLN CB . 51018 1
290 . 1 . 1 70 70 GLN N N 15 121.32705 0.1 . 1 . . . . . 682 GLN N . 51018 1
291 . 1 . 1 71 71 SER H H 1 8.38616 0.01 . 1 . . . . . 683 SER H . 51018 1
292 . 1 . 1 71 71 SER C C 13 175.562 0.1 . 1 . . . . . 683 SER C . 51018 1
293 . 1 . 1 71 71 SER CA C 13 58.354 0.1 . 1 . . . . . 683 SER CA . 51018 1
294 . 1 . 1 71 71 SER CB C 13 63.7862 0.1 . 1 . . . . . 683 SER CB . 51018 1
295 . 1 . 1 71 71 SER N N 15 117.28033 0.1 . 1 . . . . . 683 SER N . 51018 1
296 . 1 . 1 72 72 THR H H 1 8.23429 0.01 . 1 . . . . . 684 THR H . 51018 1
297 . 1 . 1 72 72 THR C C 13 176.5098 0.1 . 1 . . . . . 684 THR C . 51018 1
298 . 1 . 1 72 72 THR CA C 13 61.9967 0.1 . 1 . . . . . 684 THR CA . 51018 1
299 . 1 . 1 72 72 THR CB C 13 69.6531 0.1 . 1 . . . . . 684 THR CB . 51018 1
300 . 1 . 1 72 72 THR N N 15 115.52396 0.1 . 1 . . . . . 684 THR N . 51018 1
301 . 1 . 1 73 73 GLU H H 1 8.41147 0.01 . 1 . . . . . 685 GLU H . 51018 1
302 . 1 . 1 73 73 GLU C C 13 176.8063 0.1 . 1 . . . . . 685 GLU C . 51018 1
303 . 1 . 1 73 73 GLU CA C 13 56.736 0.1 . 1 . . . . . 685 GLU CA . 51018 1
304 . 1 . 1 73 73 GLU CB C 13 30.0673 0.1 . 1 . . . . . 685 GLU CB . 51018 1
305 . 1 . 1 73 73 GLU N N 15 122.92389 0.1 . 1 . . . . . 685 GLU N . 51018 1
306 . 1 . 1 74 74 SER H H 1 8.29304 0.01 . 1 . . . . . 686 SER H . 51018 1
307 . 1 . 1 74 74 SER C C 13 174.9224 0.1 . 1 . . . . . 686 SER C . 51018 1
308 . 1 . 1 74 74 SER CA C 13 58.4881 0.1 . 1 . . . . . 686 SER CA . 51018 1
309 . 1 . 1 74 74 SER CB C 13 63.7675 0.1 . 1 . . . . . 686 SER CB . 51018 1
310 . 1 . 1 74 74 SER N N 15 116.50143 0.1 . 1 . . . . . 686 SER N . 51018 1
311 . 1 . 1 75 75 GLU H H 1 8.38506 0.01 . 1 . . . . . 687 GLU H . 51018 1
312 . 1 . 1 75 75 GLU C C 13 177.2494 0.1 . 1 . . . . . 687 GLU C . 51018 1
313 . 1 . 1 75 75 GLU CA C 13 56.4875 0.1 . 1 . . . . . 687 GLU CA . 51018 1
314 . 1 . 1 75 75 GLU CB C 13 30.4469 0.1 . 1 . . . . . 687 GLU CB . 51018 1
315 . 1 . 1 75 75 GLU N N 15 122.73526 0.1 . 1 . . . . . 687 GLU N . 51018 1
316 . 1 . 1 76 76 THR H H 1 8.2673 0.01 . 1 . . . . . 688 THR H . 51018 1
317 . 1 . 1 76 76 THR C C 13 175.2943 0.1 . 1 . . . . . 688 THR C . 51018 1
318 . 1 . 1 76 76 THR CA C 13 59.9975 0.1 . 1 . . . . . 688 THR CA . 51018 1
319 . 1 . 1 76 76 THR CB C 13 69.6858 0.1 . 1 . . . . . 688 THR CB . 51018 1
320 . 1 . 1 76 76 THR N N 15 118.12168 0.1 . 1 . . . . . 688 THR N . 51018 1
321 . 1 . 1 78 78 ALA H H 1 8.20703 0.01 . 1 . . . . . 690 ALA H . 51018 1
322 . 1 . 1 78 78 ALA C C 13 174.9618 0.1 . 1 . . . . . 690 ALA C . 51018 1
323 . 1 . 1 78 78 ALA CA C 13 52.4154 0.1 . 1 . . . . . 690 ALA CA . 51018 1
324 . 1 . 1 78 78 ALA CB C 13 18.9295 0.1 . 1 . . . . . 690 ALA CB . 51018 1
325 . 1 . 1 78 78 ALA N N 15 124.38466 0.1 . 1 . . . . . 690 ALA N . 51018 1
326 . 1 . 1 80 80 SER H H 1 8.31915 0.01 . 1 . . . . . 692 SER H . 51018 1
327 . 1 . 1 80 80 SER C C 13 175.0431 0.1 . 1 . . . . . 692 SER C . 51018 1
328 . 1 . 1 80 80 SER CA C 13 58.1667 0.1 . 1 . . . . . 692 SER CA . 51018 1
329 . 1 . 1 80 80 SER CB C 13 63.795 0.1 . 1 . . . . . 692 SER CB . 51018 1
330 . 1 . 1 80 80 SER N N 15 117.44558 0.1 . 1 . . . . . 692 SER N . 51018 1
331 . 1 . 1 81 81 VAL H H 1 8.16834 0.01 . 1 . . . . . 693 VAL H . 51018 1
332 . 1 . 1 81 81 VAL C C 13 177.0847 0.1 . 1 . . . . . 693 VAL C . 51018 1
333 . 1 . 1 81 81 VAL CA C 13 62.3538 0.1 . 1 . . . . . 693 VAL CA . 51018 1
334 . 1 . 1 81 81 VAL CB C 13 33.0973 0.1 . 1 . . . . . 693 VAL CB . 51018 1
335 . 1 . 1 81 81 VAL N N 15 121.39615 0.1 . 1 . . . . . 693 VAL N . 51018 1
336 . 1 . 1 82 82 LYS H H 1 7.92672 0.01 . 1 . . . . . 694 LYS H . 51018 1
337 . 1 . 1 82 82 LYS C C 13 176.3838 0.1 . 1 . . . . . 694 LYS C . 51018 1
338 . 1 . 1 82 82 LYS CA C 13 57.7463 0.1 . 1 . . . . . 694 LYS CA . 51018 1
339 . 1 . 1 82 82 LYS CB C 13 33.6803 0.1 . 1 . . . . . 694 LYS CB . 51018 1
340 . 1 . 1 82 82 LYS N N 15 129.65454 0.1 . 1 . . . . . 694 LYS N . 51018 1
stop_
save_