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 51788
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Tsa1_Native_ss_CS
_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 hNH' . . . 51788 1
2 '3D hCONH' . . . 51788 1
3 '3D hCOcaNH' . . . 51788 1
4 '3D hCANH' . . . 51788 1
5 '3D hCAcoNH' . . . 51788 1
6 '3D hNcocaNH' . . . 51788 1
7 '3D hcaCBcaNH' . . . 51788 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 . . 51788 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 5 5 VAL H H 1 8.866977542 0.006744563674 . . . . . . . 5 VAL H . 51788 1
2 . 1 . 1 5 5 VAL C C 13 174.6372923 0 . . . . . . . 5 VAL C . 51788 1
3 . 1 . 1 5 5 VAL CA C 13 64.95093063 0 . . . . . . . 5 VAL CA . 51788 1
4 . 1 . 1 5 5 VAL CB C 13 30.62415808 0 . . . . . . . 5 VAL CB . 51788 1
5 . 1 . 1 5 5 VAL N N 15 124.1079808 0.08280930228 . . . . . . . 5 VAL N . 51788 1
6 . 1 . 1 6 6 GLN H H 1 8.990375767 0.01396822349 . . . . . . . 6 GLN H . 51788 1
7 . 1 . 1 6 6 GLN C C 13 173.9773147 0 . . . . . . . 6 GLN C . 51788 1
8 . 1 . 1 6 6 GLN CA C 13 59.29933155 0 . . . . . . . 6 GLN CA . 51788 1
9 . 1 . 1 6 6 GLN CB C 13 27.00108366 0 . . . . . . . 6 GLN CB . 51788 1
10 . 1 . 1 6 6 GLN N N 15 114.9509754 0.1540471599 . . . . . . . 6 GLN N . 51788 1
11 . 1 . 1 7 7 LYS H H 1 7.807661961 0.005324692866 . . . . . . . 7 LYS H . 51788 1
12 . 1 . 1 7 7 LYS C C 13 175.3995457 0 . . . . . . . 7 LYS C . 51788 1
13 . 1 . 1 7 7 LYS CA C 13 54.36138035 0 . . . . . . . 7 LYS CA . 51788 1
14 . 1 . 1 7 7 LYS CB C 13 34.42054297 0 . . . . . . . 7 LYS CB . 51788 1
15 . 1 . 1 7 7 LYS N N 15 118.0465859 0.09107666011 . . . . . . . 7 LYS N . 51788 1
16 . 1 . 1 8 8 GLN H H 1 8.519409527 0.01512576244 . . . . . . . 8 GLN H . 51788 1
17 . 1 . 1 8 8 GLN C C 13 176.2898362 0 . . . . . . . 8 GLN C . 51788 1
18 . 1 . 1 8 8 GLN CA C 13 56.73683696 0 . . . . . . . 8 GLN CA . 51788 1
19 . 1 . 1 8 8 GLN CB C 13 28.7026479 0 . . . . . . . 8 GLN CB . 51788 1
20 . 1 . 1 8 8 GLN N N 15 120.2646338 0.1053716527 . . . . . . . 8 GLN N . 51788 1
21 . 1 . 1 9 9 ALA H H 1 9.421692231 0.01401279049 . . . . . . . 9 ALA H . 51788 1
22 . 1 . 1 9 9 ALA C C 13 174.7520197 0 . . . . . . . 9 ALA C . 51788 1
23 . 1 . 1 9 9 ALA CA C 13 50.91059566 0 . . . . . . . 9 ALA CA . 51788 1
24 . 1 . 1 9 9 ALA CB C 13 17.8095158 0 . . . . . . . 9 ALA CB . 51788 1
25 . 1 . 1 9 9 ALA N N 15 130.7772713 0.02353416913 . . . . . . . 9 ALA N . 51788 1
26 . 1 . 1 11 11 THR H H 1 8.124564393 0.01076752035 . . . . . . . 11 THR H . 51788 1
27 . 1 . 1 11 11 THR C C 13 172.9918464 0 . . . . . . . 11 THR C . 51788 1
28 . 1 . 1 11 11 THR CA C 13 62.50468814 0 . . . . . . . 11 THR CA . 51788 1
29 . 1 . 1 11 11 THR CB C 13 69.9334213 0 . . . . . . . 11 THR CB . 51788 1
30 . 1 . 1 11 11 THR N N 15 117.0258353 0.0555959412 . . . . . . . 11 THR N . 51788 1
31 . 1 . 1 12 12 PHE H H 1 6.932522779 0.01097543439 . . . . . . . 12 PHE H . 51788 1
32 . 1 . 1 12 12 PHE C C 13 172.7004074 0 . . . . . . . 12 PHE C . 51788 1
33 . 1 . 1 12 12 PHE CA C 13 56.27547294 0.02411192622 . . . . . . . 12 PHE CA . 51788 1
34 . 1 . 1 12 12 PHE CB C 13 42.29109756 0 . . . . . . . 12 PHE CB . 51788 1
35 . 1 . 1 12 12 PHE N N 15 113.9158954 0.07249762587 . . . . . . . 12 PHE N . 51788 1
36 . 1 . 1 13 13 LYS H H 1 8.678352218 0.01070980631 . . . . . . . 13 LYS H . 51788 1
37 . 1 . 1 13 13 LYS C C 13 174.5617723 0 . . . . . . . 13 LYS C . 51788 1
38 . 1 . 1 13 13 LYS CA C 13 57.35244535 0 . . . . . . . 13 LYS CA . 51788 1
39 . 1 . 1 13 13 LYS CB C 13 33.74040515 0 . . . . . . . 13 LYS CB . 51788 1
40 . 1 . 1 13 13 LYS N N 15 121.6212807 0.04688057945 . . . . . . . 13 LYS N . 51788 1
41 . 1 . 1 14 14 LYS H H 1 8.8414573 0.01462606883 . . . . . . . 14 LYS H . 51788 1
42 . 1 . 1 14 14 LYS C C 13 174.5707741 0 . . . . . . . 14 LYS C . 51788 1
43 . 1 . 1 14 14 LYS CA C 13 52.77387934 0 . . . . . . . 14 LYS CA . 51788 1
44 . 1 . 1 14 14 LYS CB C 13 37.2390481 0 . . . . . . . 14 LYS CB . 51788 1
45 . 1 . 1 14 14 LYS N N 15 123.6998855 0.03531132634 . . . . . . . 14 LYS N . 51788 1
46 . 1 . 1 15 15 THR H H 1 9.000552579 0.0101826017 . . . . . . . 15 THR H . 51788 1
47 . 1 . 1 15 15 THR C C 13 170.8890392 0 . . . . . . . 15 THR C . 51788 1
48 . 1 . 1 15 15 THR CA C 13 64.78460205 0 . . . . . . . 15 THR CA . 51788 1
49 . 1 . 1 15 15 THR CB C 13 68.76431305 0 . . . . . . . 15 THR CB . 51788 1
50 . 1 . 1 15 15 THR N N 15 120.5545635 0.0365485782 . . . . . . . 15 THR N . 51788 1
51 . 1 . 1 16 16 ALA H H 1 9.004428088 0.009537620739 . . . . . . . 16 ALA H . 51788 1
52 . 1 . 1 16 16 ALA C C 13 175.2134669 0 . . . . . . . 16 ALA C . 51788 1
53 . 1 . 1 16 16 ALA CA C 13 49.43890412 0 . . . . . . . 16 ALA CA . 51788 1
54 . 1 . 1 16 16 ALA CB C 13 24.63707154 0 . . . . . . . 16 ALA CB . 51788 1
55 . 1 . 1 16 16 ALA N N 15 127.4584853 0.03751983088 . . . . . . . 16 ALA N . 51788 1
56 . 1 . 1 17 17 VAL H H 1 8.93433674 0.01176623378 . . . . . . . 17 VAL H . 51788 1
57 . 1 . 1 17 17 VAL C C 13 176.003325 0 . . . . . . . 17 VAL C . 51788 1
58 . 1 . 1 17 17 VAL CA C 13 62.66108456 0 . . . . . . . 17 VAL CA . 51788 1
59 . 1 . 1 17 17 VAL CB C 13 32.22120721 0 . . . . . . . 17 VAL CB . 51788 1
60 . 1 . 1 17 17 VAL N N 15 119.5910833 0.03821452142 . . . . . . . 17 VAL N . 51788 1
61 . 1 . 1 18 18 VAL H H 1 9.196153001 0.01162849781 . . . . . . . 18 VAL H . 51788 1
62 . 1 . 1 18 18 VAL C C 13 174.3679962 0 . . . . . . . 18 VAL C . 51788 1
63 . 1 . 1 18 18 VAL CA C 13 61.96281772 0 . . . . . . . 18 VAL CA . 51788 1
64 . 1 . 1 18 18 VAL CB C 13 34.31512741 0 . . . . . . . 18 VAL CB . 51788 1
65 . 1 . 1 18 18 VAL N N 15 130.0032824 0.05045441965 . . . . . . . 18 VAL N . 51788 1
66 . 1 . 1 19 19 ASP H H 1 9.316399901 0.01263587413 . . . . . . . 19 ASP H . 51788 1
67 . 1 . 1 19 19 ASP C C 13 175.4273596 0 . . . . . . . 19 ASP C . 51788 1
68 . 1 . 1 19 19 ASP CA C 13 55.84061052 0 . . . . . . . 19 ASP CA . 51788 1
69 . 1 . 1 19 19 ASP CB C 13 39.97910938 0 . . . . . . . 19 ASP CB . 51788 1
70 . 1 . 1 19 19 ASP N N 15 127.1598903 0.08603918504 . . . . . . . 19 ASP N . 51788 1
71 . 1 . 1 20 20 GLY H H 1 7.746360927 0.01449427682 . . . . . . . 20 GLY H . 51788 1
72 . 1 . 1 20 20 GLY C C 13 171.8784461 0 . . . . . . . 20 GLY C . 51788 1
73 . 1 . 1 20 20 GLY CA C 13 46.25505869 0.01483565772 . . . . . . . 20 GLY CA . 51788 1
74 . 1 . 1 20 20 GLY N N 15 100.9500031 0.04714374893 . . . . . . . 20 GLY N . 51788 1
75 . 1 . 1 21 21 VAL H H 1 7.523338729 0.01025067645 . . . . . . . 21 VAL H . 51788 1
76 . 1 . 1 21 21 VAL C C 13 173.052133 0 . . . . . . . 21 VAL C . 51788 1
77 . 1 . 1 21 21 VAL CA C 13 59.51194168 0 . . . . . . . 21 VAL CA . 51788 1
78 . 1 . 1 21 21 VAL CB C 13 35.45488001 0 . . . . . . . 21 VAL CB . 51788 1
79 . 1 . 1 21 21 VAL N N 15 114.684973 0.07225115911 . . . . . . . 21 VAL N . 51788 1
80 . 1 . 1 22 22 PHE H H 1 7.820634423 0.01201743575 . . . . . . . 22 PHE H . 51788 1
81 . 1 . 1 22 22 PHE C C 13 175.3851644 0 . . . . . . . 22 PHE C . 51788 1
82 . 1 . 1 22 22 PHE CA C 13 54.40814571 0 . . . . . . . 22 PHE CA . 51788 1
83 . 1 . 1 22 22 PHE CB C 13 38.76955185 0 . . . . . . . 22 PHE CB . 51788 1
84 . 1 . 1 22 22 PHE N N 15 117.7950877 0.1064877012 . . . . . . . 22 PHE N . 51788 1
85 . 1 . 1 23 23 ASP H H 1 9.437592448 0.01414091417 . . . . . . . 23 ASP H . 51788 1
86 . 1 . 1 23 23 ASP C C 13 173.6867379 0 . . . . . . . 23 ASP C . 51788 1
87 . 1 . 1 23 23 ASP CA C 13 53.11033536 0 . . . . . . . 23 ASP CA . 51788 1
88 . 1 . 1 23 23 ASP CB C 13 45.28250293 0 . . . . . . . 23 ASP CB . 51788 1
89 . 1 . 1 23 23 ASP N N 15 123.6261217 0.0585818447 . . . . . . . 23 ASP N . 51788 1
90 . 1 . 1 24 24 GLU H H 1 8.738208101 0.01120373309 . . . . . . . 24 GLU H . 51788 1
91 . 1 . 1 24 24 GLU C C 13 175.1321948 0 . . . . . . . 24 GLU C . 51788 1
92 . 1 . 1 24 24 GLU CA C 13 56.29125855 0 . . . . . . . 24 GLU CA . 51788 1
93 . 1 . 1 24 24 GLU CB C 13 31.78146344 0 . . . . . . . 24 GLU CB . 51788 1
94 . 1 . 1 24 24 GLU N N 15 122.6455287 0.06673805447 . . . . . . . 24 GLU N . 51788 1
95 . 1 . 1 25 25 VAL H H 1 9.156701323 0.01171328385 . . . . . . . 25 VAL H . 51788 1
96 . 1 . 1 25 25 VAL C C 13 172.3119321 0 . . . . . . . 25 VAL C . 51788 1
97 . 1 . 1 25 25 VAL CA C 13 61.87920072 0 . . . . . . . 25 VAL CA . 51788 1
98 . 1 . 1 25 25 VAL CB C 13 34.80815184 0 . . . . . . . 25 VAL CB . 51788 1
99 . 1 . 1 25 25 VAL N N 15 123.323599 0.1157865728 . . . . . . . 25 VAL N . 51788 1
100 . 1 . 1 26 26 SER H H 1 7.084906241 0.006373609079 . . . . . . . 26 SER H . 51788 1
101 . 1 . 1 26 26 SER C C 13 173.5022342 0 . . . . . . . 26 SER C . 51788 1
102 . 1 . 1 26 26 SER CA C 13 55.94169918 0 . . . . . . . 26 SER CA . 51788 1
103 . 1 . 1 26 26 SER CB C 13 66.31972536 0 . . . . . . . 26 SER CB . 51788 1
104 . 1 . 1 26 26 SER N N 15 116.6104776 0.1196183209 . . . . . . . 26 SER N . 51788 1
105 . 1 . 1 27 27 LEU H H 1 7.39048344 0.03173341563 . . . . . . . 27 LEU H . 51788 1
106 . 1 . 1 27 27 LEU C C 13 178.3420005 0 . . . . . . . 27 LEU C . 51788 1
107 . 1 . 1 27 27 LEU CA C 13 58.31707485 0 . . . . . . . 27 LEU CA . 51788 1
108 . 1 . 1 27 27 LEU CB C 13 39.62681597 0 . . . . . . . 27 LEU CB . 51788 1
109 . 1 . 1 27 27 LEU N N 15 121.8130521 0.04928817984 . . . . . . . 27 LEU N . 51788 1
110 . 1 . 1 28 28 ASP H H 1 7.88432281 0.02187841676 . . . . . . . 28 ASP H . 51788 1
111 . 1 . 1 28 28 ASP C C 13 176.3109821 0 . . . . . . . 28 ASP C . 51788 1
112 . 1 . 1 28 28 ASP CA C 13 56.44098501 0 . . . . . . . 28 ASP CA . 51788 1
113 . 1 . 1 28 28 ASP CB C 13 40.43386801 0 . . . . . . . 28 ASP CB . 51788 1
114 . 1 . 1 28 28 ASP N N 15 115.5391504 0.0431396997 . . . . . . . 28 ASP N . 51788 1
115 . 1 . 1 29 29 LYS H H 1 7.114194445 0.01294874042 . . . . . . . 29 LYS H . 51788 1
116 . 1 . 1 29 29 LYS C C 13 176.1444973 0 . . . . . . . 29 LYS C . 51788 1
117 . 1 . 1 29 29 LYS CA C 13 58.18688768 0 . . . . . . . 29 LYS CA . 51788 1
118 . 1 . 1 29 29 LYS CB C 13 32.11260579 0 . . . . . . . 29 LYS CB . 51788 1
119 . 1 . 1 29 29 LYS N N 15 119.4605629 0.09285130863 . . . . . . . 29 LYS N . 51788 1
120 . 1 . 1 30 30 TYR H H 1 7.228188706 0.01685994602 . . . . . . . 30 TYR H . 51788 1
121 . 1 . 1 30 30 TYR C C 13 173.4250611 0 . . . . . . . 30 TYR C . 51788 1
122 . 1 . 1 30 30 TYR CA C 13 56.355909 0 . . . . . . . 30 TYR CA . 51788 1
123 . 1 . 1 30 30 TYR CB C 13 38.27332008 0 . . . . . . . 30 TYR CB . 51788 1
124 . 1 . 1 30 30 TYR N N 15 116.1073455 0.0006894451921 . . . . . . . 30 TYR N . 51788 1
125 . 1 . 1 31 31 LYS H H 1 6.81462634 0.01304520982 . . . . . . . 31 LYS H . 51788 1
126 . 1 . 1 31 31 LYS C C 13 177.2672968 0 . . . . . . . 31 LYS C . 51788 1
127 . 1 . 1 31 31 LYS CA C 13 58.51824771 0 . . . . . . . 31 LYS CA . 51788 1
128 . 1 . 1 31 31 LYS CB C 13 31.82967938 0 . . . . . . . 31 LYS CB . 51788 1
129 . 1 . 1 31 31 LYS N N 15 120.3243425 0.03715048899 . . . . . . . 31 LYS N . 51788 1
130 . 1 . 1 32 32 GLY H H 1 8.921228614 0.01247527912 . . . . . . . 32 GLY H . 51788 1
131 . 1 . 1 32 32 GLY C C 13 172.6813811 0 . . . . . . . 32 GLY C . 51788 1
132 . 1 . 1 32 32 GLY CA C 13 45.75509938 0 . . . . . . . 32 GLY CA . 51788 1
133 . 1 . 1 32 32 GLY N N 15 112.7011523 0.0748539813 . . . . . . . 32 GLY N . 51788 1
134 . 1 . 1 33 33 LYS H H 1 8.268408075 0.007495325747 . . . . . . . 33 LYS H . 51788 1
135 . 1 . 1 33 33 LYS C C 13 175.5734885 0 . . . . . . . 33 LYS C . 51788 1
136 . 1 . 1 33 33 LYS CA C 13 55.1091395 0 . . . . . . . 33 LYS CA . 51788 1
137 . 1 . 1 33 33 LYS CB C 13 33.90010576 0 . . . . . . . 33 LYS CB . 51788 1
138 . 1 . 1 33 33 LYS N N 15 120.6400695 0.06233140074 . . . . . . . 33 LYS N . 51788 1
139 . 1 . 1 34 34 TYR H H 1 8.164410719 0.009313078164 . . . . . . . 34 TYR H . 51788 1
140 . 1 . 1 34 34 TYR C C 13 174.760558 0 . . . . . . . 34 TYR C . 51788 1
141 . 1 . 1 34 34 TYR CA C 13 59.80408742 0 . . . . . . . 34 TYR CA . 51788 1
142 . 1 . 1 34 34 TYR CB C 13 41.21439987 0 . . . . . . . 34 TYR CB . 51788 1
143 . 1 . 1 34 34 TYR N N 15 117.3412193 0.05378629051 . . . . . . . 34 TYR N . 51788 1
144 . 1 . 1 35 35 VAL H H 1 7.755642958 0.01242550394 . . . . . . . 35 VAL H . 51788 1
145 . 1 . 1 35 35 VAL C C 13 175.8369779 0 . . . . . . . 35 VAL C . 51788 1
146 . 1 . 1 35 35 VAL CA C 13 62.80179229 0 . . . . . . . 35 VAL CA . 51788 1
147 . 1 . 1 35 35 VAL CB C 13 32.20959096 0 . . . . . . . 35 VAL CB . 51788 1
148 . 1 . 1 35 35 VAL N N 15 123.3569793 0.02368426961 . . . . . . . 35 VAL N . 51788 1
149 . 1 . 1 57 57 GLU H H 1 9.043396473 0.001166018218 . . . . . . . 57 GLU H . 51788 1
150 . 1 . 1 57 57 GLU CA C 13 59.05395325 0 . . . . . . . 57 GLU CA . 51788 1
151 . 1 . 1 57 57 GLU CB C 13 29.47959877 0 . . . . . . . 57 GLU CB . 51788 1
152 . 1 . 1 57 57 GLU N N 15 119.3579782 0.005268681802 . . . . . . . 57 GLU N . 51788 1
153 . 1 . 1 58 58 ALA H H 1 7.330968989 0.01500117688 . . . . . . . 58 ALA H . 51788 1
154 . 1 . 1 58 58 ALA C C 13 176.9502918 0 . . . . . . . 58 ALA C . 51788 1
155 . 1 . 1 58 58 ALA CA C 13 52.15351074 0 . . . . . . . 58 ALA CA . 51788 1
156 . 1 . 1 58 58 ALA CB C 13 20.01824015 0 . . . . . . . 58 ALA CB . 51788 1
157 . 1 . 1 58 58 ALA N N 15 119.6699602 0.06900285197 . . . . . . . 58 ALA N . 51788 1
158 . 1 . 1 59 59 ALA H H 1 7.670885458 0.01428316159 . . . . . . . 59 ALA H . 51788 1
159 . 1 . 1 59 59 ALA C C 13 179.1159411 0 . . . . . . . 59 ALA C . 51788 1
160 . 1 . 1 59 59 ALA CA C 13 57.82828247 0 . . . . . . . 59 ALA CA . 51788 1
161 . 1 . 1 59 59 ALA CB C 13 18.7570841 0 . . . . . . . 59 ALA CB . 51788 1
162 . 1 . 1 59 59 ALA N N 15 124.396886 0.06709383555 . . . . . . . 59 ALA N . 51788 1
163 . 1 . 1 60 60 LYS H H 1 8.654417783 0.01066775118 . . . . . . . 60 LYS H . 51788 1
164 . 1 . 1 60 60 LYS C C 13 177.9052057 0 . . . . . . . 60 LYS C . 51788 1
165 . 1 . 1 60 60 LYS CA C 13 59.0790816 0 . . . . . . . 60 LYS CA . 51788 1
166 . 1 . 1 60 60 LYS CB C 13 31.56351563 0 . . . . . . . 60 LYS CB . 51788 1
167 . 1 . 1 60 60 LYS N N 15 116.4906839 0.1026785449 . . . . . . . 60 LYS N . 51788 1
168 . 1 . 1 61 61 LYS H H 1 7.620572336 0.01570351037 . . . . . . . 61 LYS H . 51788 1
169 . 1 . 1 61 61 LYS C C 13 179.3147157 0 . . . . . . . 61 LYS C . 51788 1
170 . 1 . 1 61 61 LYS CA C 13 59.33892022 0 . . . . . . . 61 LYS CA . 51788 1
171 . 1 . 1 61 61 LYS CB C 13 31.50136619 0 . . . . . . . 61 LYS CB . 51788 1
172 . 1 . 1 61 61 LYS N N 15 119.7109844 0.0891661513 . . . . . . . 61 LYS N . 51788 1
173 . 1 . 1 63 63 GLU H H 1 8.589335028 0.006094711959 . . . . . . . 63 GLU H . 51788 1
174 . 1 . 1 63 63 GLU CA C 13 60.2958272 0 . . . . . . . 63 GLU CA . 51788 1
175 . 1 . 1 63 63 GLU CB C 13 29.51881613 0 . . . . . . . 63 GLU CB . 51788 1
176 . 1 . 1 63 63 GLU N N 15 122.3186545 0.03734081661 . . . . . . . 63 GLU N . 51788 1
177 . 1 . 1 64 64 GLU H H 1 8.354095353 0.02177986811 . . . . . . . 64 GLU H . 51788 1
178 . 1 . 1 64 64 GLU C C 13 176.9519578 0 . . . . . . . 64 GLU C . 51788 1
179 . 1 . 1 64 64 GLU CA C 13 59.32420171 0 . . . . . . . 64 GLU CA . 51788 1
180 . 1 . 1 64 64 GLU CB C 13 29.44214259 0 . . . . . . . 64 GLU CB . 51788 1
181 . 1 . 1 64 64 GLU N N 15 120.3619054 0.03314877496 . . . . . . . 64 GLU N . 51788 1
182 . 1 . 1 65 65 GLN H H 1 7.294692023 0.010023762 . . . . . . . 65 GLN H . 51788 1
183 . 1 . 1 65 65 GLN C C 13 174.6472072 0 . . . . . . . 65 GLN C . 51788 1
184 . 1 . 1 65 65 GLN CA C 13 55.24580994 0 . . . . . . . 65 GLN CA . 51788 1
185 . 1 . 1 65 65 GLN CB C 13 29.14752308 0 . . . . . . . 65 GLN CB . 51788 1
186 . 1 . 1 65 65 GLN N N 15 116.2614989 0.0749060428 . . . . . . . 65 GLN N . 51788 1
187 . 1 . 1 66 66 GLY H H 1 7.912552165 0.00965028796 . . . . . . . 66 GLY H . 51788 1
188 . 1 . 1 66 66 GLY C C 13 173.0730006 0 . . . . . . . 66 GLY C . 51788 1
189 . 1 . 1 66 66 GLY CA C 13 46.95947132 0 . . . . . . . 66 GLY CA . 51788 1
190 . 1 . 1 66 66 GLY N N 15 106.0317818 0.060839696 . . . . . . . 66 GLY N . 51788 1
191 . 1 . 1 67 67 ALA H H 1 8.348675236 0.0147712197 . . . . . . . 67 ALA H . 51788 1
192 . 1 . 1 67 67 ALA C C 13 174.3541167 0 . . . . . . . 67 ALA C . 51788 1
193 . 1 . 1 67 67 ALA CA C 13 49.70852379 0 . . . . . . . 67 ALA CA . 51788 1
194 . 1 . 1 67 67 ALA CB C 13 23.32440663 0 . . . . . . . 67 ALA CB . 51788 1
195 . 1 . 1 67 67 ALA N N 15 120.9436023 0.08733238001 . . . . . . . 67 ALA N . 51788 1
196 . 1 . 1 68 68 GLN H H 1 8.773513745 0.006855930323 . . . . . . . 68 GLN H . 51788 1
197 . 1 . 1 68 68 GLN C C 13 172.8216245 0.007072519973 . . . . . . . 68 GLN C . 51788 1
198 . 1 . 1 68 68 GLN CA C 13 53.68317741 0.0172553175 . . . . . . . 68 GLN CA . 51788 1
199 . 1 . 1 68 68 GLN CB C 13 31.69312328 0 . . . . . . . 68 GLN CB . 51788 1
200 . 1 . 1 68 68 GLN N N 15 121.1473702 0.0521478749 . . . . . . . 68 GLN N . 51788 1
201 . 1 . 1 69 69 VAL H H 1 8.443761694 0.01507691025 . . . . . . . 69 VAL H . 51788 1
202 . 1 . 1 69 69 VAL C C 13 173.593541 0 . . . . . . . 69 VAL C . 51788 1
203 . 1 . 1 69 69 VAL CA C 13 61.18803779 0 . . . . . . . 69 VAL CA . 51788 1
204 . 1 . 1 69 69 VAL CB C 13 31.29498844 0 . . . . . . . 69 VAL CB . 51788 1
205 . 1 . 1 69 69 VAL N N 15 127.976954 0.06766709114 . . . . . . . 69 VAL N . 51788 1
206 . 1 . 1 72 72 ALA H H 1 7.495625748 0.01001397114 . . . . . . . 72 ALA H . 51788 1
207 . 1 . 1 72 72 ALA C C 13 174.3343794 0 . . . . . . . 72 ALA C . 51788 1
208 . 1 . 1 72 72 ALA CA C 13 52.80656669 0 . . . . . . . 72 ALA CA . 51788 1
209 . 1 . 1 72 72 ALA CB C 13 23.4835508 0 . . . . . . . 72 ALA CB . 51788 1
210 . 1 . 1 72 72 ALA N N 15 124.6597752 0.0590548016 . . . . . . . 72 ALA N . 51788 1
211 . 1 . 1 73 73 SER H H 1 8.083947006 0.01254313513 . . . . . . . 73 SER H . 51788 1
212 . 1 . 1 73 73 SER C C 13 171.8964228 0 . . . . . . . 73 SER C . 51788 1
213 . 1 . 1 73 73 SER CA C 13 56.90875093 0 . . . . . . . 73 SER CA . 51788 1
214 . 1 . 1 73 73 SER CB C 13 66.24347094 0 . . . . . . . 73 SER CB . 51788 1
215 . 1 . 1 73 73 SER N N 15 114.04692 0.0433623875 . . . . . . . 73 SER N . 51788 1
216 . 1 . 1 74 74 THR H H 1 7.92886189 0.01653876446 . . . . . . . 74 THR H . 51788 1
217 . 1 . 1 74 74 THR C C 13 171.8281447 0 . . . . . . . 74 THR C . 51788 1
218 . 1 . 1 74 74 THR CA C 13 62.50633953 0 . . . . . . . 74 THR CA . 51788 1
219 . 1 . 1 74 74 THR CB C 13 70.17794593 0 . . . . . . . 74 THR CB . 51788 1
220 . 1 . 1 74 74 THR N N 15 107.640612 0.1432781177 . . . . . . . 74 THR N . 51788 1
221 . 1 . 1 75 75 ASP H H 1 7.543951084 0.01432214101 . . . . . . . 75 ASP H . 51788 1
222 . 1 . 1 75 75 ASP C C 13 172.3309426 0 . . . . . . . 75 ASP C . 51788 1
223 . 1 . 1 75 75 ASP CA C 13 55.49699175 0 . . . . . . . 75 ASP CA . 51788 1
224 . 1 . 1 75 75 ASP CB C 13 44.95864827 0 . . . . . . . 75 ASP CB . 51788 1
225 . 1 . 1 75 75 ASP N N 15 118.656943 0.09805393628 . . . . . . . 75 ASP N . 51788 1
226 . 1 . 1 76 76 SER H H 1 8.265118755 0.01317454427 . . . . . . . 76 SER H . 51788 1
227 . 1 . 1 76 76 SER C C 13 174.4323643 0 . . . . . . . 76 SER C . 51788 1
228 . 1 . 1 76 76 SER CA C 13 58.46306232 0 . . . . . . . 76 SER CA . 51788 1
229 . 1 . 1 76 76 SER CB C 13 65.63289188 0 . . . . . . . 76 SER CB . 51788 1
230 . 1 . 1 76 76 SER N N 15 109.7634892 0.03827101605 . . . . . . . 76 SER N . 51788 1
231 . 1 . 1 77 77 GLU C C 13 175.8199745 0 . . . . . . . 77 GLU C . 51788 1
232 . 1 . 1 77 77 GLU CA C 13 59.14910942 0 . . . . . . . 77 GLU CA . 51788 1
233 . 1 . 1 77 77 GLU N N 15 120.8789675 0.03399511465 . . . . . . . 77 GLU N . 51788 1
234 . 1 . 1 80 80 LEU H H 1 7.584406791 0.01315097222 . . . . . . . 80 LEU H . 51788 1
235 . 1 . 1 80 80 LEU C C 13 178.1929243 0 . . . . . . . 80 LEU C . 51788 1
236 . 1 . 1 80 80 LEU CA C 13 55.51151425 0 . . . . . . . 80 LEU CA . 51788 1
237 . 1 . 1 80 80 LEU CB C 13 41.6651262 0 . . . . . . . 80 LEU CB . 51788 1
238 . 1 . 1 80 80 LEU N N 15 118.4280842 0.01064350279 . . . . . . . 80 LEU N . 51788 1
239 . 1 . 1 81 81 LEU H H 1 8.166474589 0.01117616887 . . . . . . . 81 LEU H . 51788 1
240 . 1 . 1 81 81 LEU C C 13 178.4114323 0 . . . . . . . 81 LEU C . 51788 1
241 . 1 . 1 81 81 LEU CA C 13 58.34593057 0.01861688352 . . . . . . . 81 LEU CA . 51788 1
242 . 1 . 1 81 81 LEU CB C 13 41.54508676 0 . . . . . . . 81 LEU CB . 51788 1
243 . 1 . 1 81 81 LEU N N 15 118.1380484 0.02679177613 . . . . . . . 81 LEU N . 51788 1
244 . 1 . 1 82 82 ALA H H 1 7.577028536 0.01220822248 . . . . . . . 82 ALA H . 51788 1
245 . 1 . 1 82 82 ALA C C 13 178.4277123 0 . . . . . . . 82 ALA C . 51788 1
246 . 1 . 1 82 82 ALA CA C 13 55.85334474 0 . . . . . . . 82 ALA CA . 51788 1
247 . 1 . 1 82 82 ALA CB C 13 16.9152914 0 . . . . . . . 82 ALA CB . 51788 1
248 . 1 . 1 82 82 ALA N N 15 121.1323865 0.03835473444 . . . . . . . 82 ALA N . 51788 1
249 . 1 . 1 86 86 ILE H H 1 7.365687517 0.02559686788 . . . . . . . 86 ILE H . 51788 1
250 . 1 . 1 86 86 ILE C C 13 172.4601329 0 . . . . . . . 86 ILE C . 51788 1
251 . 1 . 1 86 86 ILE CA C 13 58.75914301 0 . . . . . . . 86 ILE CA . 51788 1
252 . 1 . 1 86 86 ILE CB C 13 39.53496495 0 . . . . . . . 86 ILE CB . 51788 1
253 . 1 . 1 86 86 ILE N N 15 125.0097189 0.05768011074 . . . . . . . 86 ILE N . 51788 1
254 . 1 . 1 88 88 ARG H H 1 8.854797668 0.008746619788 . . . . . . . 88 ARG H . 51788 1
255 . 1 . 1 88 88 ARG C C 13 180.247848 0 . . . . . . . 88 ARG C . 51788 1
256 . 1 . 1 88 88 ARG CA C 13 59.24166193 0 . . . . . . . 88 ARG CA . 51788 1
257 . 1 . 1 88 88 ARG CB C 13 29.50170965 0 . . . . . . . 88 ARG CB . 51788 1
258 . 1 . 1 88 88 ARG N N 15 124.8837492 0.03834006717 . . . . . . . 88 ARG N . 51788 1
259 . 1 . 1 89 89 LYS H H 1 8.63660662 0.01365330285 . . . . . . . 89 LYS H . 51788 1
260 . 1 . 1 89 89 LYS C C 13 175.949189 0 . . . . . . . 89 LYS C . 51788 1
261 . 1 . 1 89 89 LYS CA C 13 58.79285849 0 . . . . . . . 89 LYS CA . 51788 1
262 . 1 . 1 89 89 LYS CB C 13 31.76619394 0 . . . . . . . 89 LYS CB . 51788 1
263 . 1 . 1 89 89 LYS N N 15 116.9142755 0.05969978911 . . . . . . . 89 LYS N . 51788 1
264 . 1 . 1 90 90 GLU H H 1 7.222454601 0.009930568259 . . . . . . . 90 GLU H . 51788 1
265 . 1 . 1 90 90 GLU C C 13 174.6343302 0 . . . . . . . 90 GLU C . 51788 1
266 . 1 . 1 90 90 GLU CA C 13 55.45474044 0 . . . . . . . 90 GLU CA . 51788 1
267 . 1 . 1 90 90 GLU CB C 13 29.64216848 0 . . . . . . . 90 GLU CB . 51788 1
268 . 1 . 1 90 90 GLU N N 15 116.3000935 0.0002474559744 . . . . . . . 90 GLU N . 51788 1
269 . 1 . 1 91 91 GLY H H 1 7.81362552 0.007671638132 . . . . . . . 91 GLY H . 51788 1
270 . 1 . 1 91 91 GLY C C 13 174.1825528 0 . . . . . . . 91 GLY C . 51788 1
271 . 1 . 1 91 91 GLY CA C 13 45.76476983 0 . . . . . . . 91 GLY CA . 51788 1
272 . 1 . 1 91 91 GLY N N 15 106.0151192 0.04154053362 . . . . . . . 91 GLY N . 51788 1
273 . 1 . 1 92 92 GLY H H 1 7.691965815 0.00737238092 . . . . . . . 92 GLY H . 51788 1
274 . 1 . 1 92 92 GLY C C 13 171.0135534 0 . . . . . . . 92 GLY C . 51788 1
275 . 1 . 1 92 92 GLY CA C 13 43.81438821 0.000025137 . . . . . . . 92 GLY CA . 51788 1
276 . 1 . 1 92 92 GLY N N 15 108.8730383 0.005863286181 . . . . . . . 92 GLY N . 51788 1
277 . 1 . 1 100 100 LEU H H 1 7.656508959 0.01157531266 . . . . . . . 100 LEU H . 51788 1
278 . 1 . 1 100 100 LEU C C 13 173.6735171 0 . . . . . . . 100 LEU C . 51788 1
279 . 1 . 1 100 100 LEU CA C 13 53.50270303 0 . . . . . . . 100 LEU CA . 51788 1
280 . 1 . 1 100 100 LEU CB C 13 44.22252394 0 . . . . . . . 100 LEU CB . 51788 1
281 . 1 . 1 100 100 LEU N N 15 122.2706978 0.1127342224 . . . . . . . 100 LEU N . 51788 1
282 . 1 . 1 101 101 LEU H H 1 9.465881581 0.01534488735 . . . . . . . 101 LEU H . 51788 1
283 . 1 . 1 101 101 LEU C C 13 173.5974279 0 . . . . . . . 101 LEU C . 51788 1
284 . 1 . 1 101 101 LEU CA C 13 56.77108608 0 . . . . . . . 101 LEU CA . 51788 1
285 . 1 . 1 101 101 LEU CB C 13 41.83888909 0 . . . . . . . 101 LEU CB . 51788 1
286 . 1 . 1 101 101 LEU N N 15 124.8873737 0.08206918668 . . . . . . . 101 LEU N . 51788 1
287 . 1 . 1 102 102 ALA H H 1 8.273329479 0.01239160537 . . . . . . . 102 ALA H . 51788 1
288 . 1 . 1 102 102 ALA C C 13 176.2443207 0 . . . . . . . 102 ALA C . 51788 1
289 . 1 . 1 102 102 ALA CA C 13 51.43308967 0 . . . . . . . 102 ALA CA . 51788 1
290 . 1 . 1 102 102 ALA CB C 13 20.00702267 0 . . . . . . . 102 ALA CB . 51788 1
291 . 1 . 1 102 102 ALA N N 15 123.1027152 0.06962524688 . . . . . . . 102 ALA N . 51788 1
292 . 1 . 1 103 103 ASP H H 1 9.527076021 0.01158983515 . . . . . . . 103 ASP H . 51788 1
293 . 1 . 1 103 103 ASP C C 13 176.5146967 0 . . . . . . . 103 ASP C . 51788 1
294 . 1 . 1 103 103 ASP CA C 13 52.85392369 0 . . . . . . . 103 ASP CA . 51788 1
295 . 1 . 1 103 103 ASP CB C 13 41.63805497 0 . . . . . . . 103 ASP CB . 51788 1
296 . 1 . 1 103 103 ASP N N 15 127.6664774 0.1277235172 . . . . . . . 103 ASP N . 51788 1
297 . 1 . 1 104 104 THR H H 1 7.647512819 0.007801092673 . . . . . . . 104 THR H . 51788 1
298 . 1 . 1 104 104 THR C C 13 175.4019243 0 . . . . . . . 104 THR C . 51788 1
299 . 1 . 1 104 104 THR CA C 13 65.27811989 0 . . . . . . . 104 THR CA . 51788 1
300 . 1 . 1 104 104 THR CB C 13 68.68352377 0 . . . . . . . 104 THR CB . 51788 1
301 . 1 . 1 104 104 THR N N 15 116.4001221 0.0490555855 . . . . . . . 104 THR N . 51788 1
302 . 1 . 1 105 105 ASN H H 1 8.097865503 0.01952106945 . . . . . . . 105 ASN H . 51788 1
303 . 1 . 1 105 105 ASN C C 13 175.4492195 0 . . . . . . . 105 ASN C . 51788 1
304 . 1 . 1 105 105 ASN CA C 13 52.28254399 0 . . . . . . . 105 ASN CA . 51788 1
305 . 1 . 1 105 105 ASN CB C 13 37.65499668 0 . . . . . . . 105 ASN CB . 51788 1
306 . 1 . 1 105 105 ASN N N 15 112.8253581 0.06452139826 . . . . . . . 105 ASN N . 51788 1
307 . 1 . 1 106 106 HIS H H 1 7.792753586 0.01450018887 . . . . . . . 106 HIS H . 51788 1
308 . 1 . 1 106 106 HIS C C 13 173.8021938 0 . . . . . . . 106 HIS C . 51788 1
309 . 1 . 1 106 106 HIS CA C 13 56.5333364 0 . . . . . . . 106 HIS CA . 51788 1
310 . 1 . 1 106 106 HIS CB C 13 28.22108131 0 . . . . . . . 106 HIS CB . 51788 1
311 . 1 . 1 106 106 HIS N N 15 112.2235908 0.03326818971 . . . . . . . 106 HIS N . 51788 1
312 . 1 . 1 107 107 SER H H 1 8.605681556 0.02055014181 . . . . . . . 107 SER H . 51788 1
313 . 1 . 1 107 107 SER C C 13 174.8657828 0 . . . . . . . 107 SER C . 51788 1
314 . 1 . 1 107 107 SER CA C 13 62.78729835 0 . . . . . . . 107 SER CA . 51788 1
315 . 1 . 1 107 107 SER N N 15 117.8194523 0.04099227904 . . . . . . . 107 SER N . 51788 1
316 . 1 . 1 108 108 LEU H H 1 9.678552868 0.01333639539 . . . . . . . 108 LEU H . 51788 1
317 . 1 . 1 108 108 LEU C C 13 178.3194227 0 . . . . . . . 108 LEU C . 51788 1
318 . 1 . 1 108 108 LEU CA C 13 58.52482706 0 . . . . . . . 108 LEU CA . 51788 1
319 . 1 . 1 108 108 LEU CB C 13 42.9955753 0 . . . . . . . 108 LEU CB . 51788 1
320 . 1 . 1 108 108 LEU N N 15 128.7920738 0.02991681882 . . . . . . . 108 LEU N . 51788 1
321 . 1 . 1 109 109 SER H H 1 9.930625663 0.01419989454 . . . . . . . 109 SER H . 51788 1
322 . 1 . 1 109 109 SER C C 13 176.0627011 0 . . . . . . . 109 SER C . 51788 1
323 . 1 . 1 109 109 SER CA C 13 62.18994309 0 . . . . . . . 109 SER CA . 51788 1
324 . 1 . 1 109 109 SER CB C 13 63.48685181 0 . . . . . . . 109 SER CB . 51788 1
325 . 1 . 1 109 109 SER N N 15 117.3345847 0.08839979306 . . . . . . . 109 SER N . 51788 1
326 . 1 . 1 110 110 ARG H H 1 8.341592227 0.01728451211 . . . . . . . 110 ARG H . 51788 1
327 . 1 . 1 110 110 ARG C C 13 179.4079014 0 . . . . . . . 110 ARG C . 51788 1
328 . 1 . 1 110 110 ARG CA C 13 60.28703297 0 . . . . . . . 110 ARG CA . 51788 1
329 . 1 . 1 110 110 ARG CB C 13 29.94464652 0 . . . . . . . 110 ARG CB . 51788 1
330 . 1 . 1 110 110 ARG N N 15 122.2423955 0.09028213445 . . . . . . . 110 ARG N . 51788 1
331 . 1 . 1 111 111 ASP H H 1 8.622827579 0.002335224082 . . . . . . . 111 ASP H . 51788 1
332 . 1 . 1 111 111 ASP C C 13 176.7656483 0 . . . . . . . 111 ASP C . 51788 1
333 . 1 . 1 111 111 ASP CA C 13 57.79320379 0 . . . . . . . 111 ASP CA . 51788 1
334 . 1 . 1 111 111 ASP CB C 13 39.93807766 0 . . . . . . . 111 ASP CB . 51788 1
335 . 1 . 1 111 111 ASP N N 15 122.3824194 0 . . . . . . . 111 ASP N . 51788 1
336 . 1 . 1 112 112 TYR H H 1 8.200104611 0.01125308006 . . . . . . . 112 TYR H . 51788 1
337 . 1 . 1 112 112 TYR C C 13 174.4146282 0 . . . . . . . 112 TYR C . 51788 1
338 . 1 . 1 112 112 TYR CA C 13 60.19424871 0 . . . . . . . 112 TYR CA . 51788 1
339 . 1 . 1 112 112 TYR CB C 13 36.42973163 0 . . . . . . . 112 TYR CB . 51788 1
340 . 1 . 1 112 112 TYR N N 15 115.3035669 0.09690470187 . . . . . . . 112 TYR N . 51788 1
341 . 1 . 1 113 113 GLY H H 1 7.593323319 0.006823504646 . . . . . . . 113 GLY H . 51788 1
342 . 1 . 1 113 113 GLY C C 13 174.1645791 0 . . . . . . . 113 GLY C . 51788 1
343 . 1 . 1 113 113 GLY CA C 13 46.98551837 0 . . . . . . . 113 GLY CA . 51788 1
344 . 1 . 1 113 113 GLY N N 15 106.8918669 0.1450066826 . . . . . . . 113 GLY N . 51788 1
345 . 1 . 1 114 114 VAL H H 1 7.67580296 0.009706660596 . . . . . . . 114 VAL H . 51788 1
346 . 1 . 1 114 114 VAL C C 13 174.1801352 0 . . . . . . . 114 VAL C . 51788 1
347 . 1 . 1 114 114 VAL CA C 13 59.82148479 0.1063482656 . . . . . . . 114 VAL CA . 51788 1
348 . 1 . 1 114 114 VAL CB C 13 32.19152483 0 . . . . . . . 114 VAL CB . 51788 1
349 . 1 . 1 115 115 LEU H H 1 6.813278939 0.01246256308 . . . . . . . 115 LEU H . 51788 1
350 . 1 . 1 115 115 LEU C C 13 175.08402 0 . . . . . . . 115 LEU C . 51788 1
351 . 1 . 1 115 115 LEU CA C 13 55.89881399 0 . . . . . . . 115 LEU CA . 51788 1
352 . 1 . 1 115 115 LEU CB C 13 41.41453274 0 . . . . . . . 115 LEU CB . 51788 1
353 . 1 . 1 115 115 LEU N N 15 122.7167066 0.06385966604 . . . . . . . 115 LEU N . 51788 1
354 . 1 . 1 116 116 ILE H H 1 8.845358143 0.01114434265 . . . . . . . 116 ILE H . 51788 1
355 . 1 . 1 116 116 ILE C C 13 176.4906685 0 . . . . . . . 116 ILE C . 51788 1
356 . 1 . 1 116 116 ILE CA C 13 60.51609842 0 . . . . . . . 116 ILE CA . 51788 1
357 . 1 . 1 116 116 ILE CB C 13 36.60941391 0 . . . . . . . 116 ILE CB . 51788 1
358 . 1 . 1 116 116 ILE N N 15 128.8685233 0.05125193936 . . . . . . . 116 ILE N . 51788 1
359 . 1 . 1 117 117 GLU H H 1 9.069329891 0.01251976427 . . . . . . . 117 GLU H . 51788 1
360 . 1 . 1 117 117 GLU C C 13 177.7397733 0 . . . . . . . 117 GLU C . 51788 1
361 . 1 . 1 117 117 GLU CA C 13 61.01308014 0 . . . . . . . 117 GLU CA . 51788 1
362 . 1 . 1 117 117 GLU CB C 13 29.17090879 0 . . . . . . . 117 GLU CB . 51788 1
363 . 1 . 1 117 117 GLU N N 15 131.3128545 0.03547258159 . . . . . . . 117 GLU N . 51788 1
364 . 1 . 1 118 118 GLU H H 1 9.52137135 0.01672226207 . . . . . . . 118 GLU H . 51788 1
365 . 1 . 1 118 118 GLU C C 13 176.2044508 0 . . . . . . . 118 GLU C . 51788 1
366 . 1 . 1 118 118 GLU CA C 13 59.40234206 0 . . . . . . . 118 GLU CA . 51788 1
367 . 1 . 1 118 118 GLU CB C 13 29.15312347 0 . . . . . . . 118 GLU CB . 51788 1
368 . 1 . 1 118 118 GLU N N 15 115.1276466 0.03369438589 . . . . . . . 118 GLU N . 51788 1
369 . 1 . 1 119 119 GLU H H 1 7.147401921 0.01564265845 . . . . . . . 119 GLU H . 51788 1
370 . 1 . 1 119 119 GLU C C 13 176.0275194 0 . . . . . . . 119 GLU C . 51788 1
371 . 1 . 1 119 119 GLU CA C 13 56.48871629 0 . . . . . . . 119 GLU CA . 51788 1
372 . 1 . 1 119 119 GLU CB C 13 32.83403274 0 . . . . . . . 119 GLU CB . 51788 1
373 . 1 . 1 119 119 GLU N N 15 113.8587998 0.05515407192 . . . . . . . 119 GLU N . 51788 1
374 . 1 . 1 120 120 GLY H H 1 8.267470641 0.01348318355 . . . . . . . 120 GLY H . 51788 1
375 . 1 . 1 120 120 GLY C C 13 170.9048851 0 . . . . . . . 120 GLY C . 51788 1
376 . 1 . 1 120 120 GLY CA C 13 46.64581646 0 . . . . . . . 120 GLY CA . 51788 1
377 . 1 . 1 120 120 GLY N N 15 106.7111652 0.07796465641 . . . . . . . 120 GLY N . 51788 1
378 . 1 . 1 121 121 VAL H H 1 6.411374813 0.02176751763 . . . . . . . 121 VAL H . 51788 1
379 . 1 . 1 121 121 VAL C C 13 171.7590519 0 . . . . . . . 121 VAL C . 51788 1
380 . 1 . 1 121 121 VAL CA C 13 59.38172186 0 . . . . . . . 121 VAL CA . 51788 1
381 . 1 . 1 121 121 VAL CB C 13 35.52242589 0 . . . . . . . 121 VAL CB . 51788 1
382 . 1 . 1 121 121 VAL N N 15 110.2888931 0.09022490862 . . . . . . . 121 VAL N . 51788 1
383 . 1 . 1 122 122 ALA H H 1 8.612415343 0.02589238572 . . . . . . . 122 ALA H . 51788 1
384 . 1 . 1 122 122 ALA C C 13 178.6195949 0 . . . . . . . 122 ALA C . 51788 1
385 . 1 . 1 122 122 ALA CA C 13 51.29181364 0 . . . . . . . 122 ALA CA . 51788 1
386 . 1 . 1 122 122 ALA CB C 13 19.81248302 0 . . . . . . . 122 ALA CB . 51788 1
387 . 1 . 1 122 122 ALA N N 15 125.5536394 0.1243980867 . . . . . . . 122 ALA N . 51788 1
388 . 1 . 1 132 132 LYS H H 1 7.784303288 0.01174235287 . . . . . . . 132 LYS H . 51788 1
389 . 1 . 1 132 132 LYS C C 13 176.0262354 0 . . . . . . . 132 LYS C . 51788 1
390 . 1 . 1 132 132 LYS CA C 13 56.07951291 0 . . . . . . . 132 LYS CA . 51788 1
391 . 1 . 1 132 132 LYS CB C 13 31.84457734 0 . . . . . . . 132 LYS CB . 51788 1
392 . 1 . 1 132 132 LYS N N 15 115.0827695 0.07538918806 . . . . . . . 132 LYS N . 51788 1
393 . 1 . 1 133 133 GLY H H 1 8.595503944 0.009041522837 . . . . . . . 133 GLY H . 51788 1
394 . 1 . 1 133 133 GLY C C 13 171.9795728 0 . . . . . . . 133 GLY C . 51788 1
395 . 1 . 1 133 133 GLY CA C 13 45.61763362 0.0259626609 . . . . . . . 133 GLY CA . 51788 1
396 . 1 . 1 133 133 GLY N N 15 109.0286817 0.05482941316 . . . . . . . 133 GLY N . 51788 1
397 . 1 . 1 134 134 VAL H H 1 8.189224638 0.007039981191 . . . . . . . 134 VAL H . 51788 1
398 . 1 . 1 134 134 VAL C C 13 175.8085697 0 . . . . . . . 134 VAL C . 51788 1
399 . 1 . 1 134 134 VAL CA C 13 62.82455701 0 . . . . . . . 134 VAL CA . 51788 1
400 . 1 . 1 134 134 VAL CB C 13 32.34072102 0 . . . . . . . 134 VAL CB . 51788 1
401 . 1 . 1 134 134 VAL N N 15 123.3250081 0.1040065107 . . . . . . . 134 VAL N . 51788 1
402 . 1 . 1 135 135 ILE H H 1 8.124726283 0.01591142525 . . . . . . . 135 ILE H . 51788 1
403 . 1 . 1 135 135 ILE C C 13 174.9118732 0 . . . . . . . 135 ILE C . 51788 1
404 . 1 . 1 135 135 ILE CA C 13 63.09113909 0 . . . . . . . 135 ILE CA . 51788 1
405 . 1 . 1 135 135 ILE CB C 13 35.93125192 0 . . . . . . . 135 ILE CB . 51788 1
406 . 1 . 1 135 135 ILE N N 15 125.1178513 0.07810284748 . . . . . . . 135 ILE N . 51788 1
407 . 1 . 1 163 163 ASP H H 1 8.535331105 0.0148470548 . . . . . . . 163 ASP H . 51788 1
408 . 1 . 1 163 163 ASP C C 13 177.8701555 0 . . . . . . . 163 ASP C . 51788 1
409 . 1 . 1 163 163 ASP CA C 13 57.52070425 0 . . . . . . . 163 ASP CA . 51788 1
410 . 1 . 1 163 163 ASP CB C 13 40.17995879 0 . . . . . . . 163 ASP CB . 51788 1
411 . 1 . 1 163 163 ASP N N 15 124.0038642 0.05978092646 . . . . . . . 163 ASP N . 51788 1
412 . 1 . 1 167 167 THR H H 1 7.076152743 0.009686013737 . . . . . . . 167 THR H . 51788 1
413 . 1 . 1 167 167 THR C C 13 173.1299575 0 . . . . . . . 167 THR C . 51788 1
414 . 1 . 1 167 167 THR CA C 13 61.48463301 0 . . . . . . . 167 THR CA . 51788 1
415 . 1 . 1 167 167 THR CB C 13 72.18685722 0 . . . . . . . 167 THR CB . 51788 1
416 . 1 . 1 167 167 THR N N 15 108.5363666 0.08250064323 . . . . . . . 167 THR N . 51788 1
417 . 1 . 1 171 171 CYS H H 1 7.417105388 0.012225052 . . . . . . . 171 CYS H . 51788 1
418 . 1 . 1 171 171 CYS CA C 13 62.36937179 0 . . . . . . . 171 CYS CA . 51788 1
419 . 1 . 1 171 171 CYS CB C 13 41.99267006 0 . . . . . . . 171 CYS CB . 51788 1
420 . 1 . 1 171 171 CYS N N 15 120.348285 0.00104967705 . . . . . . . 171 CYS N . 51788 1
stop_
save_