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 51381
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Backbone Assignments'
_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 TROSY' . . . 51381 1
2 '3D CBCANH' . . . 51381 1
3 '3D CBCA(CO)NH' . . . 51381 1
4 '3D hNcocaNH' . . . 51381 1
5 '3D HNCO' . . . 51381 1
6 '3D HN(CA)CO' . . . 51381 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 . . 51381 1
3 $software_3 . . 51381 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 8.441805775 0.0012608139 . . . . . . . 1 MET H . 51381 1
2 . 1 . 1 3 3 MET CA C 13 55.53439266 0.0204614349 . . . . . . . 1 MET CA . 51381 1
3 . 1 . 1 3 3 MET CB C 13 32.82187825 0.0389363765 . . . . . . . 1 MET CB . 51381 1
4 . 1 . 1 3 3 MET N N 15 123.4124741 0.0189081215 . . . . . . . 1 MET N . 51381 1
5 . 1 . 1 4 4 VAL H H 1 8.111334144 0.0015483458 . . . . . . . 2 VAL H . 51381 1
6 . 1 . 1 4 4 VAL C C 13 175.7667414 0.0016313898 . . . . . . . 2 VAL C . 51381 1
7 . 1 . 1 4 4 VAL CA C 13 62.33995045 0.0423258059 . . . . . . . 2 VAL CA . 51381 1
8 . 1 . 1 4 4 VAL CB C 13 32.76346374 0.0710333069 . . . . . . . 2 VAL CB . 51381 1
9 . 1 . 1 4 4 VAL N N 15 122.6593737 0.0531155843 . . . . . . . 2 VAL N . 51381 1
10 . 1 . 1 5 5 GLU H H 1 8.417561829 0.001235157 . . . . . . . 3 GLU H . 51381 1
11 . 1 . 1 5 5 GLU C C 13 176.1396583 0.0139816557 . . . . . . . 3 GLU C . 51381 1
12 . 1 . 1 5 5 GLU CA C 13 56.34922881 0.0295947835 . . . . . . . 3 GLU CA . 51381 1
13 . 1 . 1 5 5 GLU CB C 13 30.17847033 0.1012028429 . . . . . . . 3 GLU CB . 51381 1
14 . 1 . 1 5 5 GLU N N 15 125.3737556 0.1166028836 . . . . . . . 3 GLU N . 51381 1
15 . 1 . 1 6 6 LEU H H 1 8.240128781 0.0102915977 . . . . . . . 4 LEU H . 51381 1
16 . 1 . 1 6 6 LEU C C 13 177.3220736 0.0226187894 . . . . . . . 4 LEU C . 51381 1
17 . 1 . 1 6 6 LEU CA C 13 55.24681595 0.0232836085 . . . . . . . 4 LEU CA . 51381 1
18 . 1 . 1 6 6 LEU CB C 13 42.24511092 0.018764024 . . . . . . . 4 LEU CB . 51381 1
19 . 1 . 1 6 6 LEU N N 15 124.4088604 0.0607112554 . . . . . . . 4 LEU N . 51381 1
20 . 1 . 1 7 7 THR H H 1 7.987987616 0.0090294168 . . . . . . . 5 THR H . 51381 1
21 . 1 . 1 7 7 THR C C 13 174.2040389 0.0113110463 . . . . . . . 5 THR C . 51381 1
22 . 1 . 1 7 7 THR CA C 13 61.88146107 0.0032026139 . . . . . . . 5 THR CA . 51381 1
23 . 1 . 1 7 7 THR CB C 13 69.77823526 0.0228461117 . . . . . . . 5 THR CB . 51381 1
24 . 1 . 1 7 7 THR N N 15 115.3450504 0.0629762977 . . . . . . . 5 THR N . 51381 1
25 . 1 . 1 8 8 GLU H H 1 8.221349068 0.0053636198 . . . . . . . 6 GLU H . 51381 1
26 . 1 . 1 8 8 GLU C C 13 175.8655266 0.0313056354 . . . . . . . 6 GLU C . 51381 1
27 . 1 . 1 8 8 GLU CA C 13 56.35602205 0.0957935821 . . . . . . . 6 GLU CA . 51381 1
28 . 1 . 1 8 8 GLU CB C 13 30.54664075 0.1222914905 . . . . . . . 6 GLU CB . 51381 1
29 . 1 . 1 8 8 GLU N N 15 123.922731 0.0328448758 . . . . . . . 6 GLU N . 51381 1
30 . 1 . 1 9 9 ILE H H 1 8.119764905 0.0054758665 . . . . . . . 7 ILE H . 51381 1
31 . 1 . 1 9 9 ILE C C 13 175.9735242 0.030327458 . . . . . . . 7 ILE C . 51381 1
32 . 1 . 1 9 9 ILE CA C 13 60.85587151 0.0771855887 . . . . . . . 7 ILE CA . 51381 1
33 . 1 . 1 9 9 ILE CB C 13 38.34246461 0.0453018914 . . . . . . . 7 ILE CB . 51381 1
34 . 1 . 1 9 9 ILE N N 15 123.8947749 0.0534241455 . . . . . . . 7 ILE N . 51381 1
35 . 1 . 1 10 10 LYS H H 1 8.316100977 0.0037228513 . . . . . . . 8 LYS H . 51381 1
36 . 1 . 1 10 10 LYS C C 13 175.9417527 0.0341882105 . . . . . . . 8 LYS C . 51381 1
37 . 1 . 1 10 10 LYS CA C 13 56.01394766 0.2674042779 . . . . . . . 8 LYS CA . 51381 1
38 . 1 . 1 10 10 LYS CB C 13 33.26984269 0.1086903179 . . . . . . . 8 LYS CB . 51381 1
39 . 1 . 1 10 10 LYS N N 15 127.0830035 0.0342787224 . . . . . . . 8 LYS N . 51381 1
40 . 1 . 1 11 11 ASP H H 1 8.213938917 0.0050534895 . . . . . . . 9 ASP H . 51381 1
41 . 1 . 1 11 11 ASP C C 13 175.8143797 0.0769483041 . . . . . . . 9 ASP C . 51381 1
42 . 1 . 1 11 11 ASP CA C 13 54.14410811 0.2715009292 . . . . . . . 9 ASP CA . 51381 1
43 . 1 . 1 11 11 ASP CB C 13 41.24568839 0.1071854848 . . . . . . . 9 ASP CB . 51381 1
44 . 1 . 1 11 11 ASP N N 15 122.4811709 0.0569736966 . . . . . . . 9 ASP N . 51381 1
45 . 1 . 1 12 12 ASP H H 1 8.205104573 0.0039003437 . . . . . . . 10 ASP H . 51381 1
46 . 1 . 1 12 12 ASP C C 13 175.9613284 0.0557812576 . . . . . . . 10 ASP C . 51381 1
47 . 1 . 1 12 12 ASP CA C 13 54.39492662 0.1333186442 . . . . . . . 10 ASP CA . 51381 1
48 . 1 . 1 12 12 ASP CB C 13 41.10512639 0.016931213 . . . . . . . 10 ASP CB . 51381 1
49 . 1 . 1 12 12 ASP N N 15 121.0165031 0.0583916838 . . . . . . . 10 ASP N . 51381 1
50 . 1 . 1 13 13 VAL H H 1 7.884147308 0.0059517755 . . . . . . . 11 VAL H . 51381 1
51 . 1 . 1 13 13 VAL C C 13 176.1356701 0.0061611229 . . . . . . . 11 VAL C . 51381 1
52 . 1 . 1 13 13 VAL CA C 13 62.07575218 0.171998197 . . . . . . . 11 VAL CA . 51381 1
53 . 1 . 1 13 13 VAL CB C 13 32.69773509 0.0087931668 . . . . . . . 11 VAL CB . 51381 1
54 . 1 . 1 13 13 VAL N N 15 120.8274575 0.088918814 . . . . . . . 11 VAL N . 51381 1
55 . 1 . 1 14 14 VAL H H 1 8.066424834 0.0027891483 . . . . . . . 12 VAL H . 51381 1
56 . 1 . 1 14 14 VAL C C 13 175.8351865 0.0435907421 . . . . . . . 12 VAL C . 51381 1
57 . 1 . 1 14 14 VAL CA C 13 62.18380859 0.1799061191 . . . . . . . 12 VAL CA . 51381 1
58 . 1 . 1 14 14 VAL CB C 13 32.58666494 0.1022769883 . . . . . . . 12 VAL CB . 51381 1
59 . 1 . 1 14 14 VAL N N 15 125.1910137 0.0516436519 . . . . . . . 12 VAL N . 51381 1
60 . 1 . 1 15 15 GLN H H 1 8.346381227 0.0030186432 . . . . . . . 13 GLN H . 51381 1
61 . 1 . 1 15 15 GLN C C 13 175.4816655 0.0177250746 . . . . . . . 13 GLN C . 51381 1
62 . 1 . 1 15 15 GLN CA C 13 55.34135087 0.0032972418 . . . . . . . 13 GLN CA . 51381 1
63 . 1 . 1 15 15 GLN CB C 13 29.43566891 0.1001452337 . . . . . . . 13 GLN CB . 51381 1
64 . 1 . 1 15 15 GLN N N 15 125.5696157 0.0171087536 . . . . . . . 13 GLN N . 51381 1
65 . 1 . 1 16 16 LEU H H 1 8.223084438 0.0039933536 . . . . . . . 14 LEU H . 51381 1
66 . 1 . 1 16 16 LEU C C 13 176.8139744 0.0081007764 . . . . . . . 14 LEU C . 51381 1
67 . 1 . 1 16 16 LEU CA C 13 55.0765227 0.0205513747 . . . . . . . 14 LEU CA . 51381 1
68 . 1 . 1 16 16 LEU CB C 13 42.69511784 0.0590853184 . . . . . . . 14 LEU CB . 51381 1
69 . 1 . 1 16 16 LEU N N 15 125.0790893 0.0345401247 . . . . . . . 14 LEU N . 51381 1
70 . 1 . 1 22 22 SER H H 1 8.075963818 0.0012215513 . . . . . . . 20 SER H . 51381 1
71 . 1 . 1 22 22 SER C C 13 174.5072231 0.0066642595 . . . . . . . 20 SER C . 51381 1
72 . 1 . 1 22 22 SER CA C 13 58.28139368 0.0429512945 . . . . . . . 20 SER CA . 51381 1
73 . 1 . 1 22 22 SER CB C 13 63.73400955 0.0032974408 . . . . . . . 20 SER CB . 51381 1
74 . 1 . 1 22 22 SER N N 15 117.4352187 0.0247216289 . . . . . . . 20 SER N . 51381 1
75 . 1 . 1 23 23 ARG H H 1 8.188963561 0.0011297826 . . . . . . . 21 ARG H . 51381 1
76 . 1 . 1 23 23 ARG C C 13 176.1159835 0.0064514713 . . . . . . . 21 ARG C . 51381 1
77 . 1 . 1 23 23 ARG CA C 13 56.31406078 0.0060794972 . . . . . . . 21 ARG CA . 51381 1
78 . 1 . 1 23 23 ARG CB C 13 30.60293026 0.0351506113 . . . . . . . 21 ARG CB . 51381 1
79 . 1 . 1 23 23 ARG N N 15 123.3413453 0.0299475343 . . . . . . . 21 ARG N . 51381 1
80 . 1 . 1 24 24 ASN H H 1 8.28251508 0.0012760748 . . . . . . . 22 ASN H . 51381 1
81 . 1 . 1 24 24 ASN C C 13 175.1762451 0.0089312772 . . . . . . . 22 ASN C . 51381 1
82 . 1 . 1 24 24 ASN CA C 13 53.57675796 0.1206362947 . . . . . . . 22 ASN CA . 51381 1
83 . 1 . 1 24 24 ASN CB C 13 38.69118755 0.0271687663 . . . . . . . 22 ASN CB . 51381 1
84 . 1 . 1 24 24 ASN N N 15 119.8941169 0.0217181336 . . . . . . . 22 ASN N . 51381 1
85 . 1 . 1 25 25 GLN H H 1 8.165118521 0.0030356126 . . . . . . . 23 GLN H . 51381 1
86 . 1 . 1 25 25 GLN C C 13 175.471384 0.0415299135 . . . . . . . 23 GLN C . 51381 1
87 . 1 . 1 25 25 GLN CA C 13 55.94087657 0.0456926738 . . . . . . . 23 GLN CA . 51381 1
88 . 1 . 1 25 25 GLN CB C 13 29.45140532 0.0201643881 . . . . . . . 23 GLN CB . 51381 1
89 . 1 . 1 25 25 GLN N N 15 121.3512556 0.084733677 . . . . . . . 23 GLN N . 51381 1
90 . 1 . 1 26 26 ALA H H 1 8.126503279 0.0024898108 . . . . . . . 24 ALA H . 51381 1
91 . 1 . 1 26 26 ALA C C 13 177.5354215 0.0009413939 . . . . . . . 24 ALA C . 51381 1
92 . 1 . 1 26 26 ALA CA C 13 52.58823296 0.0127486688 . . . . . . . 24 ALA CA . 51381 1
93 . 1 . 1 26 26 ALA CB C 13 19.02893695 0.0107665267 . . . . . . . 24 ALA CB . 51381 1
94 . 1 . 1 26 26 ALA N N 15 125.4453568 0.0490688401 . . . . . . . 24 ALA N . 51381 1
95 . 1 . 1 27 27 ILE H H 1 7.940068634 0.0027639094 . . . . . . . 25 ILE H . 51381 1
96 . 1 . 1 27 27 ILE C C 13 176.2369278 0.0120134432 . . . . . . . 25 ILE C . 51381 1
97 . 1 . 1 27 27 ILE CA C 13 61.10046329 0.0332400718 . . . . . . . 25 ILE CA . 51381 1
98 . 1 . 1 27 27 ILE CB C 13 38.56880407 0.1135600289 . . . . . . . 25 ILE CB . 51381 1
99 . 1 . 1 27 27 ILE N N 15 120.8561498 0.0344713789 . . . . . . . 25 ILE N . 51381 1
100 . 1 . 1 28 28 VAL H H 1 8.06099963 0.0031267272 . . . . . . . 26 VAL H . 51381 1
101 . 1 . 1 28 28 VAL C C 13 175.9045218 0.0268501886 . . . . . . . 26 VAL C . 51381 1
102 . 1 . 1 28 28 VAL CA C 13 62.35933334 0.0653266955 . . . . . . . 26 VAL CA . 51381 1
103 . 1 . 1 28 28 VAL CB C 13 32.69312967 0.0015145715 . . . . . . . 26 VAL CB . 51381 1
104 . 1 . 1 28 28 VAL N N 15 125.3699532 0.0327392447 . . . . . . . 26 VAL N . 51381 1
105 . 1 . 1 29 29 GLU H H 1 8.337673619 0.002872025 . . . . . . . 27 GLU H . 51381 1
106 . 1 . 1 29 29 GLU C C 13 176.2435807 0.0055598136 . . . . . . . 27 GLU C . 51381 1
107 . 1 . 1 29 29 GLU CA C 13 56.43540379 0.0563259632 . . . . . . . 27 GLU CA . 51381 1
108 . 1 . 1 29 29 GLU CB C 13 30.45703509 0.0403122708 . . . . . . . 27 GLU CB . 51381 1
109 . 1 . 1 29 29 GLU N N 15 125.7154852 0.0391352767 . . . . . . . 27 GLU N . 51381 1
110 . 1 . 1 30 30 GLU H H 1 8.34784273 0.0035225144 . . . . . . . 28 GLU H . 51381 1
111 . 1 . 1 30 30 GLU C C 13 176.4112731 0.0378497395 . . . . . . . 28 GLU C . 51381 1
112 . 1 . 1 30 30 GLU CA C 13 56.63382901 0.0522580202 . . . . . . . 28 GLU CA . 51381 1
113 . 1 . 1 30 30 GLU CB C 13 30.22397895 0.048242261 . . . . . . . 28 GLU CB . 51381 1
114 . 1 . 1 30 30 GLU N N 15 123.7482344 0.0292147665 . . . . . . . 28 GLU N . 51381 1
115 . 1 . 1 31 31 LYS H H 1 8.2613679 0.0027489241 . . . . . . . 29 LYS H . 51381 1
116 . 1 . 1 31 31 LYS C C 13 176.3531839 0.00727485 . . . . . . . 29 LYS C . 51381 1
117 . 1 . 1 31 31 LYS CA C 13 56.21791598 0.0657867303 . . . . . . . 29 LYS CA . 51381 1
118 . 1 . 1 31 31 LYS CB C 13 32.98893857 0.0197441392 . . . . . . . 29 LYS CB . 51381 1
119 . 1 . 1 31 31 LYS N N 15 123.3413665 0.0572144744 . . . . . . . 29 LYS N . 51381 1
120 . 1 . 1 32 32 ALA H H 1 8.24279734 0.0014752037 . . . . . . . 30 ALA H . 51381 1
121 . 1 . 1 32 32 ALA C C 13 177.8320874 0.0152957598 . . . . . . . 30 ALA C . 51381 1
122 . 1 . 1 32 32 ALA CA C 13 52.58213406 0.0368453751 . . . . . . . 30 ALA CA . 51381 1
123 . 1 . 1 32 32 ALA CB C 13 19.16128102 0.0208995288 . . . . . . . 30 ALA CB . 51381 1
124 . 1 . 1 32 32 ALA N N 15 126.0185741 0.0189371653 . . . . . . . 30 ALA N . 51381 1
125 . 1 . 1 33 33 SER H H 1 8.16401064 0.0009812696 . . . . . . . 31 SER H . 51381 1
126 . 1 . 1 33 33 SER C C 13 174.3498467 0.0090989258 . . . . . . . 31 SER C . 51381 1
127 . 1 . 1 33 33 SER CA C 13 58.222894 0.0147034152 . . . . . . . 31 SER CA . 51381 1
128 . 1 . 1 33 33 SER CB C 13 63.80693347 0.020818965 . . . . . . . 31 SER CB . 51381 1
129 . 1 . 1 33 33 SER N N 15 115.7224842 0.022398693 . . . . . . . 31 SER N . 51381 1
130 . 1 . 1 34 34 ALA H H 1 8.223010932 0.0009148374 . . . . . . . 32 ALA H . 51381 1
131 . 1 . 1 34 34 ALA C C 13 177.810221 0.0074111 . . . . . . . 32 ALA C . 51381 1
132 . 1 . 1 34 34 ALA CA C 13 52.5394436 0.0217966748 . . . . . . . 32 ALA CA . 51381 1
133 . 1 . 1 34 34 ALA CB C 13 19.34339274 0.0253244432 . . . . . . . 32 ALA CB . 51381 1
134 . 1 . 1 34 34 ALA N N 15 126.6678212 0.0186830531 . . . . . . . 32 ALA N . 51381 1
135 . 1 . 1 35 35 THR H H 1 8.029086076 0.0009468388 . . . . . . . 33 THR H . 51381 1
136 . 1 . 1 35 35 THR C C 13 174.2469816 0.0043976267 . . . . . . . 33 THR C . 51381 1
137 . 1 . 1 35 35 THR CA C 13 61.67208095 0.0129776576 . . . . . . . 33 THR CA . 51381 1
138 . 1 . 1 35 35 THR CB C 13 69.85739251 0.0208906316 . . . . . . . 33 THR CB . 51381 1
139 . 1 . 1 35 35 THR N N 15 113.4102626 0.0201721321 . . . . . . . 33 THR N . 51381 1
140 . 1 . 1 36 36 ASN H H 1 8.300442739 0.0011424974 . . . . . . . 34 ASN H . 51381 1
141 . 1 . 1 36 36 ASN C C 13 174.7427782 0.0040637364 . . . . . . . 34 ASN C . 51381 1
142 . 1 . 1 36 36 ASN CA C 13 53.20527765 0.0225923784 . . . . . . . 34 ASN CA . 51381 1
143 . 1 . 1 36 36 ASN CB C 13 38.94180828 0.008198109 . . . . . . . 34 ASN CB . 51381 1
144 . 1 . 1 36 36 ASN N N 15 121.3847253 0.0273211742 . . . . . . . 34 ASN N . 51381 1
145 . 1 . 1 37 37 ASN H H 1 8.326300569 0.0022000781 . . . . . . . 35 ASN H . 51381 1
146 . 1 . 1 37 37 ASN C C 13 174.705863 0.0130221069 . . . . . . . 35 ASN C . 51381 1
147 . 1 . 1 37 37 ASN CA C 13 53.24968475 0.0147039879 . . . . . . . 35 ASN CA . 51381 1
148 . 1 . 1 37 37 ASN CB C 13 38.98580518 0.0020614565 . . . . . . . 35 ASN CB . 51381 1
149 . 1 . 1 37 37 ASN N N 15 120.0828541 0.0230712274 . . . . . . . 35 ASN N . 51381 1
150 . 1 . 1 38 38 ASP H H 1 8.212070588 0.0050177442 . . . . . . . 36 ASP H . 51381 1
151 . 1 . 1 38 38 ASP C C 13 175.9129663 0.0565691108 . . . . . . . 36 ASP C . 51381 1
152 . 1 . 1 38 38 ASP CA C 13 54.28970541 0.025981768 . . . . . . . 36 ASP CA . 51381 1
153 . 1 . 1 38 38 ASP CB C 13 40.81179552 0.0094709478 . . . . . . . 36 ASP CB . 51381 1
154 . 1 . 1 38 38 ASP N N 15 121.2226522 0.0429741037 . . . . . . . 36 ASP N . 51381 1
155 . 1 . 1 39 39 VAL H H 1 7.890892311 0.0043415473 . . . . . . . 37 VAL H . 51381 1
156 . 1 . 1 39 39 VAL C C 13 175.9636182 0.0367559334 . . . . . . . 37 VAL C . 51381 1
157 . 1 . 1 39 39 VAL CA C 13 62.37767851 0.0611144053 . . . . . . . 37 VAL CA . 51381 1
158 . 1 . 1 39 39 VAL CB C 13 32.82526331 0.0662560518 . . . . . . . 37 VAL CB . 51381 1
159 . 1 . 1 39 39 VAL N N 15 120.8232721 0.0252709209 . . . . . . . 37 VAL N . 51381 1
160 . 1 . 1 40 40 VAL H H 1 8.130663869 0.0038973081 . . . . . . . 38 VAL H . 51381 1
161 . 1 . 1 40 40 VAL C C 13 175.622899 0.0309729723 . . . . . . . 38 VAL C . 51381 1
162 . 1 . 1 40 40 VAL CA C 13 61.88614241 0.027622846 . . . . . . . 38 VAL CA . 51381 1
163 . 1 . 1 40 40 VAL CB C 13 32.92945011 0.0092915628 . . . . . . . 38 VAL CB . 51381 1
164 . 1 . 1 40 40 VAL N N 15 125.0819128 0.0444708226 . . . . . . . 38 VAL N . 51381 1
165 . 1 . 1 41 41 ASP H H 1 8.294559368 0.003587014 . . . . . . . 39 ASP H . 51381 1
166 . 1 . 1 41 41 ASP C C 13 175.6761601 0.033630315 . . . . . . . 39 ASP C . 51381 1
167 . 1 . 1 41 41 ASP CA C 13 54.19780099 0.0601812115 . . . . . . . 39 ASP CA . 51381 1
168 . 1 . 1 41 41 ASP CB C 13 41.29012623 0.1460821356 . . . . . . . 39 ASP CB . 51381 1
169 . 1 . 1 41 41 ASP N N 15 125.3974463 0.0382857533 . . . . . . . 39 ASP N . 51381 1
170 . 1 . 1 42 42 ASP H H 1 8.199187773 0.0062590624 . . . . . . . 40 ASP H . 51381 1
171 . 1 . 1 42 42 ASP C C 13 176.0010935 0.1718749416 . . . . . . . 40 ASP C . 51381 1
172 . 1 . 1 42 42 ASP CA C 13 54.17271088 0.0239337902 . . . . . . . 40 ASP CA . 51381 1
173 . 1 . 1 42 42 ASP CB C 13 41.51222883 0.1491711705 . . . . . . . 40 ASP CB . 51381 1
174 . 1 . 1 42 42 ASP N N 15 121.9044532 0.0454998359 . . . . . . . 40 ASP N . 51381 1
175 . 1 . 1 43 43 GLU H H 1 8.245764377 0.0095781163 . . . . . . . 41 GLU H . 51381 1
176 . 1 . 1 43 43 GLU C C 13 176.1486437 0.0455911567 . . . . . . . 41 GLU C . 51381 1
177 . 1 . 1 43 43 GLU CA C 13 56.45639876 0.044689188 . . . . . . . 41 GLU CA . 51381 1
178 . 1 . 1 43 43 GLU CB C 13 30.25201472 0.1082278282 . . . . . . . 41 GLU CB . 51381 1
179 . 1 . 1 43 43 GLU N N 15 121.6380532 0.0416070376 . . . . . . . 41 GLU N . 51381 1
180 . 1 . 1 44 44 ASP H H 1 8.257922391 0.002504572 . . . . . . . 42 ASP H . 51381 1
181 . 1 . 1 44 44 ASP C C 13 175.9051617 0.0363722298 . . . . . . . 42 ASP C . 51381 1
182 . 1 . 1 44 44 ASP CA C 13 54.30703514 0.0459288716 . . . . . . . 42 ASP CA . 51381 1
183 . 1 . 1 44 44 ASP CB C 13 41.34301859 0.1149621757 . . . . . . . 42 ASP CB . 51381 1
184 . 1 . 1 44 44 ASP N N 15 122.2896517 0.0645237318 . . . . . . . 42 ASP N . 51381 1
185 . 1 . 1 45 45 ASP H H 1 8.237454758 0.0053321921 . . . . . . . 43 ASP H . 51381 1
186 . 1 . 1 45 45 ASP C C 13 176.4546801 0.0326007382 . . . . . . . 43 ASP C . 51381 1
187 . 1 . 1 45 45 ASP CA C 13 54.03030829 0.0631535871 . . . . . . . 43 ASP CA . 51381 1
188 . 1 . 1 45 45 ASP CB C 13 40.97657524 0.1477666369 . . . . . . . 43 ASP CB . 51381 1
189 . 1 . 1 45 45 ASP N N 15 122.6842077 0.0772831539 . . . . . . . 43 ASP N . 51381 1
190 . 1 . 1 46 46 SER H H 1 8.203190019 0.0034801381 . . . . . . . 44 SER H . 51381 1
191 . 1 . 1 46 46 SER C C 13 174.4950817 0.0104115472 . . . . . . . 44 SER C . 51381 1
192 . 1 . 1 46 46 SER CA C 13 58.90651617 0.0993812058 . . . . . . . 44 SER CA . 51381 1
193 . 1 . 1 46 46 SER CB C 13 63.90939915 0.1270625949 . . . . . . . 44 SER CB . 51381 1
194 . 1 . 1 46 46 SER N N 15 116.964713 0.0320652292 . . . . . . . 44 SER N . 51381 1
195 . 1 . 1 47 47 ASP H H 1 8.310783547 0.0034090283 . . . . . . . 45 ASP H . 51381 1
196 . 1 . 1 47 47 ASP C C 13 176.2784474 0.0545295697 . . . . . . . 45 ASP C . 51381 1
197 . 1 . 1 47 47 ASP CA C 13 54.32023822 0.1060535893 . . . . . . . 45 ASP CA . 51381 1
198 . 1 . 1 47 47 ASP CB C 13 41.11559825 0.0014640447 . . . . . . . 45 ASP CB . 51381 1
199 . 1 . 1 47 47 ASP N N 15 122.987668 0.0752522822 . . . . . . . 45 ASP N . 51381 1
200 . 1 . 1 48 48 SER H H 1 8.065949465 0.0043017916 . . . . . . . 46 SER H . 51381 1
201 . 1 . 1 48 48 SER C C 13 174.1068068 0.0132075339 . . . . . . . 46 SER C . 51381 1
202 . 1 . 1 48 48 SER CA C 13 59.77815442 2.406558765 . . . . . . . 46 SER CA . 51381 1
203 . 1 . 1 48 48 SER CB C 13 63.98642879 0.0664894181 . . . . . . . 46 SER CB . 51381 1
204 . 1 . 1 48 48 SER N N 15 116.4486482 0.040734127 . . . . . . . 46 SER N . 51381 1
205 . 1 . 1 49 49 ASP H H 1 8.185638647 0.0040835948 . . . . . . . 47 ASP H . 51381 1
206 . 1 . 1 49 49 ASP C C 13 175.6501543 0.0876472209 . . . . . . . 47 ASP C . 51381 1
207 . 1 . 1 49 49 ASP CA C 13 54.23355478 0.0260096645 . . . . . . . 47 ASP CA . 51381 1
208 . 1 . 1 49 49 ASP CB C 13 41.01058654 0.1749471149 . . . . . . . 47 ASP CB . 51381 1
209 . 1 . 1 49 49 ASP N N 15 122.9161182 0.0988999219 . . . . . . . 47 ASP N . 51381 1
210 . 1 . 1 50 50 PHE H H 1 7.989193697 0.0420394513 . . . . . . . 48 PHE H . 51381 1
211 . 1 . 1 50 50 PHE C C 13 175.5849684 0.0538237985 . . . . . . . 48 PHE C . 51381 1
212 . 1 . 1 50 50 PHE CA C 13 57.60625879 0.0834931298 . . . . . . . 48 PHE CA . 51381 1
213 . 1 . 1 50 50 PHE CB C 13 39.60065045 0.1272030177 . . . . . . . 48 PHE CB . 51381 1
214 . 1 . 1 50 50 PHE N N 15 120.9922862 0.5779382439 . . . . . . . 48 PHE N . 51381 1
215 . 1 . 1 51 51 GLU H H 1 8.158183067 0.0071163463 . . . . . . . 49 GLU H . 51381 1
216 . 1 . 1 51 51 GLU C C 13 175.6557293 0.0096000851 . . . . . . . 49 GLU C . 51381 1
217 . 1 . 1 51 51 GLU CA C 13 56.16689253 0.0599971353 . . . . . . . 49 GLU CA . 51381 1
218 . 1 . 1 51 51 GLU CB C 13 30.43608981 0.175880254 . . . . . . . 49 GLU CB . 51381 1
219 . 1 . 1 51 51 GLU N N 15 123.3774943 0.0869506352 . . . . . . . 49 GLU N . 51381 1
220 . 1 . 1 52 52 ASP H H 1 8.14162609 0.0023091057 . . . . . . . 50 ASP H . 51381 1
221 . 1 . 1 52 52 ASP C C 13 175.9254106 0.0424613403 . . . . . . . 50 ASP C . 51381 1
222 . 1 . 1 52 52 ASP CA C 13 54.24448279 0.0466122968 . . . . . . . 50 ASP CA . 51381 1
223 . 1 . 1 52 52 ASP CB C 13 41.42846785 0.0786858823 . . . . . . . 50 ASP CB . 51381 1
224 . 1 . 1 52 52 ASP N N 15 122.3680717 0.0862113441 . . . . . . . 50 ASP N . 51381 1
225 . 1 . 1 53 53 GLU H H 1 8.184865653 0.0131457228 . . . . . . . 51 GLU H . 51381 1
226 . 1 . 1 53 53 GLU C C 13 175.966222 0.1313745177 . . . . . . . 51 GLU C . 51381 1
227 . 1 . 1 53 53 GLU CA C 13 56.42069242 0.031592948 . . . . . . . 51 GLU CA . 51381 1
228 . 1 . 1 53 53 GLU CB C 13 30.23088125 0.147249192 . . . . . . . 51 GLU CB . 51381 1
229 . 1 . 1 53 53 GLU N N 15 121.7735967 0.0762630282 . . . . . . . 51 GLU N . 51381 1
230 . 1 . 1 54 54 PHE H H 1 8.135069511 0.0052190232 . . . . . . . 52 PHE H . 51381 1
231 . 1 . 1 54 54 PHE C C 13 175.8474847 0.4686485451 . . . . . . . 52 PHE C . 51381 1
232 . 1 . 1 54 54 PHE CA C 13 57.45713876 0.041382121 . . . . . . . 52 PHE CA . 51381 1
233 . 1 . 1 54 54 PHE CB C 13 39.77387796 0.0694744161 . . . . . . . 52 PHE CB . 51381 1
234 . 1 . 1 54 54 PHE N N 15 121.7399482 0.0745915971 . . . . . . . 52 PHE N . 51381 1
235 . 1 . 1 55 55 ASP H H 1 8.189505326 0.0145689254 . . . . . . . 53 ASP H . 51381 1
236 . 1 . 1 55 55 ASP C C 13 176.1418161 0.1413937588 . . . . . . . 53 ASP C . 51381 1
237 . 1 . 1 55 55 ASP CA C 13 53.85635834 0.0996988017 . . . . . . . 53 ASP CA . 51381 1
238 . 1 . 1 55 55 ASP CB C 13 41.44233619 0.1441440115 . . . . . . . 53 ASP CB . 51381 1
239 . 1 . 1 55 55 ASP N N 15 123.6750233 0.1111629508 . . . . . . . 53 ASP N . 51381 1
240 . 1 . 1 56 56 GLU H H 1 8.384935352 0.0068105875 . . . . . . . 54 GLU H . 51381 1
241 . 1 . 1 56 56 GLU C C 13 176.4845655 0.0081939571 . . . . . . . 54 GLU C . 51381 1
242 . 1 . 1 56 56 GLU CA C 13 57.11770318 0.0495900213 . . . . . . . 54 GLU CA . 51381 1
243 . 1 . 1 56 56 GLU CB C 13 29.78518552 0.0914274006 . . . . . . . 54 GLU CB . 51381 1
244 . 1 . 1 56 56 GLU N N 15 123.088237 0.1190741417 . . . . . . . 54 GLU N . 51381 1
245 . 1 . 1 57 57 ASN H H 1 8.373020163 0.0099224814 . . . . . . . 55 ASN H . 51381 1
246 . 1 . 1 57 57 ASN C C 13 175.5355799 0.0088168281 . . . . . . . 55 ASN C . 51381 1
247 . 1 . 1 57 57 ASN CA C 13 53.85467131 0.0201647103 . . . . . . . 55 ASN CA . 51381 1
248 . 1 . 1 57 57 ASN CB C 13 39.0094928 0.0063720778 . . . . . . . 55 ASN CB . 51381 1
249 . 1 . 1 57 57 ASN N N 15 119.2559649 0.0643768198 . . . . . . . 55 ASN N . 51381 1
250 . 1 . 1 58 58 GLU H H 1 8.136948666 0.0055763878 . . . . . . . 56 GLU H . 51381 1
251 . 1 . 1 58 58 GLU C C 13 176.6991766 0.0033827284 . . . . . . . 56 GLU C . 51381 1
252 . 1 . 1 58 58 GLU CA C 13 57.29403558 0.0463198718 . . . . . . . 56 GLU CA . 51381 1
253 . 1 . 1 58 58 GLU CB C 13 29.98108956 0.0126887653 . . . . . . . 56 GLU CB . 51381 1
254 . 1 . 1 58 58 GLU N N 15 121.3945749 0.0500859922 . . . . . . . 56 GLU N . 51381 1
255 . 1 . 1 59 59 THR H H 1 8.082699704 0.0043144182 . . . . . . . 57 THR H . 51381 1
256 . 1 . 1 59 59 THR C C 13 174.7168632 0.0079650683 . . . . . . . 57 THR C . 51381 1
257 . 1 . 1 59 59 THR CA C 13 62.40458762 0.0281947121 . . . . . . . 57 THR CA . 51381 1
258 . 1 . 1 59 59 THR CB C 13 69.61777503 0.0543288964 . . . . . . . 57 THR CB . 51381 1
259 . 1 . 1 59 59 THR N N 15 115.341279 0.0527036993 . . . . . . . 57 THR N . 51381 1
260 . 1 . 1 60 60 LEU H H 1 8.025037048 0.0101115122 . . . . . . . 58 LEU H . 51381 1
261 . 1 . 1 60 60 LEU C C 13 177.5299674 0.0113814796 . . . . . . . 58 LEU C . 51381 1
262 . 1 . 1 60 60 LEU CA C 13 55.69555795 0.1124154426 . . . . . . . 58 LEU CA . 51381 1
263 . 1 . 1 60 60 LEU CB C 13 42.0383206 0.1212865472 . . . . . . . 58 LEU CB . 51381 1
264 . 1 . 1 60 60 LEU N N 15 124.6063227 0.0714709521 . . . . . . . 58 LEU N . 51381 1
265 . 1 . 1 61 61 LEU H H 1 7.952331611 0.0071837989 . . . . . . . 59 LEU H . 51381 1
266 . 1 . 1 61 61 LEU C C 13 177.4071093 0.013075799 . . . . . . . 59 LEU C . 51381 1
267 . 1 . 1 61 61 LEU CA C 13 55.85001764 0.04185874 . . . . . . . 59 LEU CA . 51381 1
268 . 1 . 1 61 61 LEU CB C 13 42.20803127 0.0003248301 . . . . . . . 59 LEU CB . 51381 1
269 . 1 . 1 61 61 LEU N N 15 122.3273848 0.0402797925 . . . . . . . 59 LEU N . 51381 1
270 . 1 . 1 62 62 ASP H H 1 8.053990428 0.0050232783 . . . . . . . 60 ASP H . 51381 1
271 . 1 . 1 62 62 ASP C C 13 176.3718335 0.0036427228 . . . . . . . 60 ASP C . 51381 1
272 . 1 . 1 62 62 ASP CA C 13 54.80686894 0.0260806569 . . . . . . . 60 ASP CA . 51381 1
273 . 1 . 1 62 62 ASP CB C 13 40.88401772 0.0428675492 . . . . . . . 60 ASP CB . 51381 1
274 . 1 . 1 62 62 ASP N N 15 120.2620425 0.0794712863 . . . . . . . 60 ASP N . 51381 1
275 . 1 . 1 63 63 ARG H H 1 7.884558537 0.0082142971 . . . . . . . 61 ARG H . 51381 1
276 . 1 . 1 63 63 ARG C C 13 176.3562358 0.0137211438 . . . . . . . 61 ARG C . 51381 1
277 . 1 . 1 63 63 ARG CA C 13 56.42132202 0.011643337 . . . . . . . 61 ARG CA . 51381 1
278 . 1 . 1 63 63 ARG CB C 13 30.72076339 0.0091675035 . . . . . . . 61 ARG CB . 51381 1
279 . 1 . 1 63 63 ARG N N 15 120.6804548 0.0472331242 . . . . . . . 61 ARG N . 51381 1
280 . 1 . 1 64 64 ILE H H 1 7.966333985 0.0070456311 . . . . . . . 62 ILE H . 51381 1
281 . 1 . 1 64 64 ILE C C 13 176.7040691 0.0202084757 . . . . . . . 62 ILE C . 51381 1
282 . 1 . 1 64 64 ILE CA C 13 61.64383648 0.033725148 . . . . . . . 62 ILE CA . 51381 1
283 . 1 . 1 64 64 ILE CB C 13 38.2361944 0.0969098176 . . . . . . . 62 ILE CB . 51381 1
284 . 1 . 1 64 64 ILE N N 15 121.9907028 0.0369814648 . . . . . . . 62 ILE N . 51381 1
285 . 1 . 1 65 65 VAL H H 1 8.001811086 0.0046094038 . . . . . . . 63 VAL H . 51381 1
286 . 1 . 1 65 65 VAL C C 13 175.8949652 0.0007286321 . . . . . . . 63 VAL C . 51381 1
287 . 1 . 1 65 65 VAL CA C 13 62.7822252 0.1020261349 . . . . . . . 63 VAL CA . 51381 1
288 . 1 . 1 65 65 VAL CB C 13 32.54024668 0.0963764844 . . . . . . . 63 VAL CB . 51381 1
289 . 1 . 1 65 65 VAL N N 15 124.4663706 0.0543304874 . . . . . . . 63 VAL N . 51381 1
290 . 1 . 1 66 66 ALA H H 1 8.1206615 0.0098825155 . . . . . . . 64 ALA H . 51381 1
291 . 1 . 1 66 66 ALA C C 13 177.6532801 0 . . . . . . . 64 ALA C . 51381 1
292 . 1 . 1 66 66 ALA CA C 13 52.45932106 0.113258417 . . . . . . . 64 ALA CA . 51381 1
293 . 1 . 1 66 66 ALA CB C 13 19.18448828 0.0820772612 . . . . . . . 64 ALA CB . 51381 1
294 . 1 . 1 66 66 ALA N N 15 127.3998272 0.0348237041 . . . . . . . 64 ALA N . 51381 1
295 . 1 . 1 67 67 LEU H H 1 7.973041835 0.0063319373 . . . . . . . 65 LEU H . 51381 1
296 . 1 . 1 67 67 LEU C C 13 177.5493964 0.0230523708 . . . . . . . 65 LEU C . 51381 1
297 . 1 . 1 67 67 LEU CA C 13 55.51723416 0.2062902645 . . . . . . . 65 LEU CA . 51381 1
298 . 1 . 1 67 67 LEU CB C 13 42.19637484 0.0201914962 . . . . . . . 65 LEU CB . 51381 1
299 . 1 . 1 67 67 LEU N N 15 121.755212 0.02081768 . . . . . . . 65 LEU N . 51381 1
300 . 1 . 1 68 68 LYS H H 1 8.013257471 0.0025704781 . . . . . . . 66 LYS H . 51381 1
301 . 1 . 1 68 68 LYS C C 13 176.1168123 0.014501445 . . . . . . . 66 LYS C . 51381 1
302 . 1 . 1 68 68 LYS CA C 13 56.51128316 0.0784356566 . . . . . . . 66 LYS CA . 51381 1
303 . 1 . 1 68 68 LYS CB C 13 32.93101789 0.0120431742 . . . . . . . 66 LYS CB . 51381 1
304 . 1 . 1 68 68 LYS N N 15 121.1519762 0.0612471939 . . . . . . . 66 LYS N . 51381 1
305 . 1 . 1 69 69 ASP H H 1 8.079016151 0.0085077596 . . . . . . . 67 ASP H . 51381 1
306 . 1 . 1 69 69 ASP C C 13 175.7717622 0.0064307212 . . . . . . . 67 ASP C . 51381 1
307 . 1 . 1 69 69 ASP CA C 13 54.39389773 0.1090797131 . . . . . . . 67 ASP CA . 51381 1
308 . 1 . 1 69 69 ASP CB C 13 41.11918201 0.0064099081 . . . . . . . 67 ASP CB . 51381 1
309 . 1 . 1 69 69 ASP N N 15 121.0448966 0.1111057781 . . . . . . . 67 ASP N . 51381 1
310 . 1 . 1 70 70 ILE H H 1 7.834302472 0.0031911204 . . . . . . . 68 ILE H . 51381 1
311 . 1 . 1 70 70 ILE C C 13 176.0164205 0.0085738503 . . . . . . . 68 ILE C . 51381 1
312 . 1 . 1 70 70 ILE CA C 13 60.99653557 0.0945136305 . . . . . . . 68 ILE CA . 51381 1
313 . 1 . 1 70 70 ILE CB C 13 38.73252701 0.1126120604 . . . . . . . 68 ILE CB . 51381 1
314 . 1 . 1 70 70 ILE N N 15 121.017985 0.0595715302 . . . . . . . 68 ILE N . 51381 1
315 . 1 . 1 71 71 VAL H H 1 8.094165492 0.00305687 . . . . . . . 69 VAL H . 51381 1
316 . 1 . 1 71 71 VAL C C 13 173.8967514 0.0063544481 . . . . . . . 69 VAL C . 51381 1
317 . 1 . 1 71 71 VAL CA C 13 59.71987259 0.0333378265 . . . . . . . 69 VAL CA . 51381 1
318 . 1 . 1 71 71 VAL CB C 13 32.63004863 0.0157252982 . . . . . . . 69 VAL CB . 51381 1
319 . 1 . 1 71 71 VAL N N 15 127.0439372 0.0321524536 . . . . . . . 69 VAL N . 51381 1
320 . 1 . 1 78 78 GLU H H 1 7.750995079 0.0026206806 . . . . . . . 76 GLU H . 51381 1
321 . 1 . 1 78 78 GLU C C 13 180.8263018 0.0088122483 . . . . . . . 76 GLU C . 51381 1
322 . 1 . 1 78 78 GLU CA C 13 57.80848539 0.0214770114 . . . . . . . 76 GLU CA . 51381 1
323 . 1 . 1 78 78 GLU CB C 13 31.28524278 0.0054728002 . . . . . . . 76 GLU CB . 51381 1
324 . 1 . 1 78 78 GLU N N 15 126.9210615 0.0468467011 . . . . . . . 76 GLU N . 51381 1
stop_
save_