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 51600
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Xiap-BIR2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D BEST TROSY HNCA' . . . 51600 1
2 '3D BEST TROSY HNCACB' . . . 51600 1
3 '3D BEST TROSY HNCOCACB' . . . 51600 1
4 '3D BEST TROSY HNCO' . . . 51600 1
5 '3D BEST TROSY HNCOCA' . . . 51600 1
6 '2D 1H-15N BEST TROSY' . . . 51600 1
7 '3D 15N-separated NOESY' . . . 51600 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 . . 51600 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 4 4 PHE H H 1 8.002440517 0.003309744785 . 1 . . . . . 4 PHE H . 51600 1
2 . 1 . 1 4 4 PHE CA C 13 57.62355838 0 . 1 . . . . . 4 PHE CA . 51600 1
3 . 1 . 1 4 4 PHE CB C 13 39.31641422 0 . 1 . . . . . 4 PHE CB . 51600 1
4 . 1 . 1 4 4 PHE N N 15 120.7111293 0.03691698024 . 1 . . . . . 4 PHE N . 51600 1
5 . 1 . 1 5 5 ALA H H 1 8.069014115 0.002080317784 . 1 . . . . . 5 ALA H . 51600 1
6 . 1 . 1 5 5 ALA CA C 13 52.35133409 0 . 1 . . . . . 5 ALA CA . 51600 1
7 . 1 . 1 5 5 ALA CB C 13 19.34195527 0 . 1 . . . . . 5 ALA CB . 51600 1
8 . 1 . 1 5 5 ALA N N 15 124.94098 0.03074822261 . 1 . . . . . 5 ALA N . 51600 1
9 . 1 . 1 6 6 LEU H H 1 8.108801704 0.002318629725 . 1 . . . . . 6 LEU H . 51600 1
10 . 1 . 1 6 6 LEU CA C 13 55.17579973 0 . 1 . . . . . 6 LEU CA . 51600 1
11 . 1 . 1 6 6 LEU CB C 13 42.32468019 0 . 1 . . . . . 6 LEU CB . 51600 1
12 . 1 . 1 6 6 LEU N N 15 120.8456372 0.2159576868 . 1 . . . . . 6 LEU N . 51600 1
13 . 1 . 1 7 7 ASP H H 1 8.293121775 0.002694551107 . 1 . . . . . 7 ASP H . 51600 1
14 . 1 . 1 7 7 ASP CA C 13 54.16436227 0 . 1 . . . . . 7 ASP CA . 51600 1
15 . 1 . 1 7 7 ASP CB C 13 41.04397981 0 . 1 . . . . . 7 ASP CB . 51600 1
16 . 1 . 1 7 7 ASP N N 15 120.2295698 0.02584256157 . 1 . . . . . 7 ASP N . 51600 1
17 . 1 . 1 8 8 ARG H H 1 8.062961112 0.002760347898 . 1 . . . . . 8 ARG H . 51600 1
18 . 1 . 1 8 8 ARG CA C 13 53.88485236 0 . 1 . . . . . 8 ARG CA . 51600 1
19 . 1 . 1 8 8 ARG CB C 13 30.33732777 0 . 1 . . . . . 8 ARG CB . 51600 1
20 . 1 . 1 8 8 ARG N N 15 121.2384817 0.02062301655 . 1 . . . . . 8 ARG N . 51600 1
21 . 1 . 1 10 10 SER H H 1 8.423468851 0.00255732375 . 1 . . . . . 10 SER H . 51600 1
22 . 1 . 1 10 10 SER CA C 13 58.43585237 0 . 1 . . . . . 10 SER CA . 51600 1
23 . 1 . 1 10 10 SER N N 15 115.7862657 0.01706134253 . 1 . . . . . 10 SER N . 51600 1
24 . 1 . 1 11 11 GLU H H 1 8.376251742 0.003573540879 . 1 . . . . . 11 GLU H . 51600 1
25 . 1 . 1 11 11 GLU CA C 13 56.46728247 0 . 1 . . . . . 11 GLU CA . 51600 1
26 . 1 . 1 11 11 GLU N N 15 123.1550555 0.02809430841 . 1 . . . . . 11 GLU N . 51600 1
27 . 1 . 1 12 12 THR H H 1 8.503605049 0.01771968941 . 1 . . . . . 12 THR H . 51600 1
28 . 1 . 1 12 12 THR CA C 13 61.67141708 0 . 1 . . . . . 12 THR CA . 51600 1
29 . 1 . 1 12 12 THR CB C 13 70.24694189 0 . 1 . . . . . 12 THR CB . 51600 1
30 . 1 . 1 12 12 THR N N 15 115.2423862 0.06904501262 . 1 . . . . . 12 THR N . 51600 1
31 . 1 . 1 14 14 ALA H H 1 8.331829177 0.0004260576031 . 1 . . . . . 14 ALA H . 51600 1
32 . 1 . 1 14 14 ALA CA C 13 54.33127213 0 . 1 . . . . . 14 ALA CA . 51600 1
33 . 1 . 1 14 14 ALA N N 15 122.3438615 0.02343967741 . 1 . . . . . 14 ALA N . 51600 1
34 . 1 . 1 15 15 ASP H H 1 8.21786419 0.009537529281 . 1 . . . . . 15 ASP H . 51600 1
35 . 1 . 1 15 15 ASP CA C 13 56.16802953 0 . 1 . . . . . 15 ASP CA . 51600 1
36 . 1 . 1 15 15 ASP CB C 13 40.69011767 0 . 1 . . . . . 15 ASP CB . 51600 1
37 . 1 . 1 15 15 ASP N N 15 118.9383797 0.03449873258 . 1 . . . . . 15 ASP N . 51600 1
38 . 1 . 1 16 16 TYR H H 1 8.129928525 0.005522614755 . 1 . . . . . 16 TYR H . 51600 1
39 . 1 . 1 16 16 TYR CA C 13 60.13417057 0 . 1 . . . . . 16 TYR CA . 51600 1
40 . 1 . 1 16 16 TYR CB C 13 38.0422864 0 . 1 . . . . . 16 TYR CB . 51600 1
41 . 1 . 1 16 16 TYR N N 15 121.6387841 0.1642591149 . 1 . . . . . 16 TYR N . 51600 1
42 . 1 . 1 17 17 LEU H H 1 8.130494812 0.005009388373 . 1 . . . . . 17 LEU H . 51600 1
43 . 1 . 1 17 17 LEU CA C 13 56.64635228 0 . 1 . . . . . 17 LEU CA . 51600 1
44 . 1 . 1 17 17 LEU CB C 13 41.7018159 0 . 1 . . . . . 17 LEU CB . 51600 1
45 . 1 . 1 17 17 LEU N N 15 121.7509642 0.04944832269 . 1 . . . . . 17 LEU N . 51600 1
46 . 1 . 1 18 18 LEU H H 1 7.771366752 0.01061936876 . 1 . . . . . 18 LEU H . 51600 1
47 . 1 . 1 18 18 LEU CA C 13 55.88548717 0 . 1 . . . . . 18 LEU CA . 51600 1
48 . 1 . 1 18 18 LEU CB C 13 42.089 0 . 1 . . . . . 18 LEU CB . 51600 1
49 . 1 . 1 18 18 LEU N N 15 119.9890981 0.2309638455 . 1 . . . . . 18 LEU N . 51600 1
50 . 1 . 1 20 20 THR H H 1 7.851985492 0.0004642871351 . 1 . . . . . 20 THR H . 51600 1
51 . 1 . 1 20 20 THR CA C 13 62.16243823 0 . 1 . . . . . 20 THR CA . 51600 1
52 . 1 . 1 20 20 THR N N 15 110.194908 0.02371222977 . 1 . . . . . 20 THR N . 51600 1
53 . 1 . 1 21 21 GLY H H 1 8.051451867 0.005158097495 . 1 . . . . . 21 GLY H . 51600 1
54 . 1 . 1 21 21 GLY CA C 13 45.78494559 0 . 1 . . . . . 21 GLY CA . 51600 1
55 . 1 . 1 21 21 GLY N N 15 110.665152 0.03673040692 . 1 . . . . . 21 GLY N . 51600 1
56 . 1 . 1 22 22 GLN H H 1 8.107221116 0.003138834115 . 1 . . . . . 22 GLN H . 51600 1
57 . 1 . 1 22 22 GLN CA C 13 55.73685737 0 . 1 . . . . . 22 GLN CA . 51600 1
58 . 1 . 1 22 22 GLN CB C 13 30.12039805 0 . 1 . . . . . 22 GLN CB . 51600 1
59 . 1 . 1 22 22 GLN N N 15 119.3078166 0.03148971915 . 1 . . . . . 22 GLN N . 51600 1
60 . 1 . 1 23 23 VAL H H 1 8.109502343 0.005552679321 . 1 . . . . . 23 VAL H . 51600 1
61 . 1 . 1 23 23 VAL CA C 13 62.15019135 0 . 1 . . . . . 23 VAL CA . 51600 1
62 . 1 . 1 23 23 VAL CB C 13 32.90282823 0 . 1 . . . . . 23 VAL CB . 51600 1
63 . 1 . 1 23 23 VAL N N 15 120.6434688 0.1043242281 . 1 . . . . . 23 VAL N . 51600 1
64 . 1 . 1 24 24 VAL H H 1 8.220087059 0.002891239363 . 1 . . . . . 24 VAL H . 51600 1
65 . 1 . 1 24 24 VAL CA C 13 62.00214992 0 . 1 . . . . . 24 VAL CA . 51600 1
66 . 1 . 1 24 24 VAL CB C 13 33.03111165 0 . 1 . . . . . 24 VAL CB . 51600 1
67 . 1 . 1 24 24 VAL N N 15 123.6791259 0.0262131166 . 1 . . . . . 24 VAL N . 51600 1
68 . 1 . 1 25 25 ASP H H 1 8.448491113 0.004624983539 . 1 . . . . . 25 ASP H . 51600 1
69 . 1 . 1 25 25 ASP CA C 13 53.93542884 0 . 1 . . . . . 25 ASP CA . 51600 1
70 . 1 . 1 25 25 ASP CB C 13 41.68601231 0 . 1 . . . . . 25 ASP CB . 51600 1
71 . 1 . 1 25 25 ASP N N 15 124.6368254 0.03003701387 . 1 . . . . . 25 ASP N . 51600 1
72 . 1 . 1 26 26 ILE H H 1 8.216751377 0.004576389314 . 1 . . . . . 26 ILE H . 51600 1
73 . 1 . 1 26 26 ILE CA C 13 61.47912243 0 . 1 . . . . . 26 ILE CA . 51600 1
74 . 1 . 1 26 26 ILE CB C 13 38.59966735 0 . 1 . . . . . 26 ILE CB . 51600 1
75 . 1 . 1 26 26 ILE N N 15 121.4233954 0.03234370699 . 1 . . . . . 26 ILE N . 51600 1
76 . 1 . 1 27 27 SER H H 1 8.457023331 0.003760463286 . 1 . . . . . 27 SER H . 51600 1
77 . 1 . 1 27 27 SER CA C 13 59.02310414 0 . 1 . . . . . 27 SER CA . 51600 1
78 . 1 . 1 27 27 SER CB C 13 63.7585276 0 . 1 . . . . . 27 SER CB . 51600 1
79 . 1 . 1 27 27 SER N N 15 119.051762 0.02680085183 . 1 . . . . . 27 SER N . 51600 1
80 . 1 . 1 28 28 ASP H H 1 8.269031766 0.003289799647 . 1 . . . . . 28 ASP H . 51600 1
81 . 1 . 1 28 28 ASP CA C 13 54.59905356 0 . 1 . . . . . 28 ASP CA . 51600 1
82 . 1 . 1 28 28 ASP CB C 13 41.26101512 0 . 1 . . . . . 28 ASP CB . 51600 1
83 . 1 . 1 28 28 ASP N N 15 122.134025 0.03565818241 . 1 . . . . . 28 ASP N . 51600 1
84 . 1 . 1 29 29 THR H H 1 8.016246402 0.002166415313 . 1 . . . . . 29 THR H . 51600 1
85 . 1 . 1 29 29 THR CA C 13 62.21904636 0 . 1 . . . . . 29 THR CA . 51600 1
86 . 1 . 1 29 29 THR CB C 13 69.86972098 0 . 1 . . . . . 29 THR CB . 51600 1
87 . 1 . 1 29 29 THR N N 15 114.0457991 0.03550920949 . 1 . . . . . 29 THR N . 51600 1
88 . 1 . 1 30 30 ILE H H 1 7.782976694 0.001232429759 . 1 . . . . . 30 ILE H . 51600 1
89 . 1 . 1 30 30 ILE CA C 13 60.48190738 0 . 1 . . . . . 30 ILE CA . 51600 1
90 . 1 . 1 30 30 ILE CB C 13 38.56437605 0 . 1 . . . . . 30 ILE CB . 51600 1
91 . 1 . 1 30 30 ILE N N 15 120.9183503 0.01605459056 . 1 . . . . . 30 ILE N . 51600 1
92 . 1 . 1 31 31 TYR H H 1 8.041888835 0.0007932572374 . 1 . . . . . 31 TYR H . 51600 1
93 . 1 . 1 31 31 TYR CA C 13 55.55757733 0 . 1 . . . . . 31 TYR CA . 51600 1
94 . 1 . 1 31 31 TYR N N 15 123.7429469 0.02498506398 . 1 . . . . . 31 TYR N . 51600 1
95 . 1 . 1 36 36 ALA H H 1 7.619693932 0.004593527728 . 1 . . . . . 36 ALA H . 51600 1
96 . 1 . 1 36 36 ALA CA C 13 53.96752355 0 . 1 . . . . . 36 ALA CA . 51600 1
97 . 1 . 1 36 36 ALA CB C 13 17.98684412 0 . 1 . . . . . 36 ALA CB . 51600 1
98 . 1 . 1 36 36 ALA N N 15 119.0762212 0.02466825501 . 1 . . . . . 36 ALA N . 51600 1
99 . 1 . 1 37 37 MET H H 1 7.205100376 0.003377668509 . 1 . . . . . 37 MET H . 51600 1
100 . 1 . 1 37 37 MET CA C 13 52.44832517 0 . 1 . . . . . 37 MET CA . 51600 1
101 . 1 . 1 37 37 MET CB C 13 33.64358865 0 . 1 . . . . . 37 MET CB . 51600 1
102 . 1 . 1 37 37 MET N N 15 116.1266166 0.02556933809 . 1 . . . . . 37 MET N . 51600 1
103 . 1 . 1 38 38 TYR H H 1 7.031408424 0.004312222767 . 1 . . . . . 38 TYR H . 51600 1
104 . 1 . 1 38 38 TYR CA C 13 59.34912585 0 . 1 . . . . . 38 TYR CA . 51600 1
105 . 1 . 1 38 38 TYR CB C 13 39.00525726 0 . 1 . . . . . 38 TYR CB . 51600 1
106 . 1 . 1 38 38 TYR N N 15 119.454523 0.03598149931 . 1 . . . . . 38 TYR N . 51600 1
107 . 1 . 1 39 39 SER H H 1 7.770963505 0.0009686230061 . 1 . . . . . 39 SER H . 51600 1
108 . 1 . 1 39 39 SER CA C 13 55.78358248 0 . 1 . . . . . 39 SER CA . 51600 1
109 . 1 . 1 39 39 SER CB C 13 64.58424055 0 . 1 . . . . . 39 SER CB . 51600 1
110 . 1 . 1 39 39 SER N N 15 113.5865684 0.02539115262 . 1 . . . . . 39 SER N . 51600 1
111 . 1 . 1 40 40 GLU H H 1 9.084771786 0.006408342258 . 1 . . . . . 40 GLU H . 51600 1
112 . 1 . 1 40 40 GLU CA C 13 60.53512023 0 . 1 . . . . . 40 GLU CA . 51600 1
113 . 1 . 1 40 40 GLU N N 15 127.915156 0.0451570329 . 1 . . . . . 40 GLU N . 51600 1
114 . 1 . 1 41 41 GLU H H 1 8.616282393 0.001630249214 . 1 . . . . . 41 GLU H . 51600 1
115 . 1 . 1 41 41 GLU CA C 13 59.81076226 0 . 1 . . . . . 41 GLU CA . 51600 1
116 . 1 . 1 41 41 GLU CB C 13 29.36211673 0 . 1 . . . . . 41 GLU CB . 51600 1
117 . 1 . 1 41 41 GLU N N 15 117.764628 0.02510976744 . 1 . . . . . 41 GLU N . 51600 1
118 . 1 . 1 42 42 ALA H H 1 7.459502264 0.002081587699 . 1 . . . . . 42 ALA H . 51600 1
119 . 1 . 1 42 42 ALA CA C 13 54.96079874 0 . 1 . . . . . 42 ALA CA . 51600 1
120 . 1 . 1 42 42 ALA CB C 13 18.34796396 0 . 1 . . . . . 42 ALA CB . 51600 1
121 . 1 . 1 42 42 ALA N N 15 122.4981005 0.02807209469 . 1 . . . . . 42 ALA N . 51600 1
122 . 1 . 1 43 43 ARG H H 1 7.753291494 0.002674830701 . 1 . . . . . 43 ARG H . 51600 1
123 . 1 . 1 43 43 ARG CA C 13 60.03741066 0 . 1 . . . . . 43 ARG CA . 51600 1
124 . 1 . 1 43 43 ARG CB C 13 30.11569298 0 . 1 . . . . . 43 ARG CB . 51600 1
125 . 1 . 1 43 43 ARG N N 15 116.8784757 0.03159432086 . 1 . . . . . 43 ARG N . 51600 1
126 . 1 . 1 44 44 LEU H H 1 9.073399706 0.002063040656 . 1 . . . . . 44 LEU H . 51600 1
127 . 1 . 1 44 44 LEU CA C 13 58.87477745 0 . 1 . . . . . 44 LEU CA . 51600 1
128 . 1 . 1 44 44 LEU CB C 13 41.7701552 0 . 1 . . . . . 44 LEU CB . 51600 1
129 . 1 . 1 44 44 LEU N N 15 123.6880982 0.02541377801 . 1 . . . . . 44 LEU N . 51600 1
130 . 1 . 1 45 45 LYS H H 1 7.858762921 0.004025716633 . 1 . . . . . 45 LYS H . 51600 1
131 . 1 . 1 45 45 LYS CA C 13 58.77715171 0 . 1 . . . . . 45 LYS CA . 51600 1
132 . 1 . 1 45 45 LYS CB C 13 32.47236037 0 . 1 . . . . . 45 LYS CB . 51600 1
133 . 1 . 1 45 45 LYS N N 15 119.0712682 0.02649818557 . 1 . . . . . 45 LYS N . 51600 1
134 . 1 . 1 46 46 SER H H 1 7.561838657 0.005498262303 . 1 . . . . . 46 SER H . 51600 1
135 . 1 . 1 46 46 SER CA C 13 61.07706872 0 . 1 . . . . . 46 SER CA . 51600 1
136 . 1 . 1 46 46 SER CB C 13 63.47300125 0 . 1 . . . . . 46 SER CB . 51600 1
137 . 1 . 1 46 46 SER N N 15 114.1529219 0.06848075498 . 1 . . . . . 46 SER N . 51600 1
138 . 1 . 1 47 47 PHE H H 1 7.525838688 0.003990392567 . 1 . . . . . 47 PHE H . 51600 1
139 . 1 . 1 47 47 PHE CA C 13 60.25622458 0 . 1 . . . . . 47 PHE CA . 51600 1
140 . 1 . 1 47 47 PHE CB C 13 37.59825513 0 . 1 . . . . . 47 PHE CB . 51600 1
141 . 1 . 1 47 47 PHE N N 15 119.6143634 0.01702693564 . 1 . . . . . 47 PHE N . 51600 1
142 . 1 . 1 48 48 GLN H H 1 7.504573288 0.003884898813 . 1 . . . . . 48 GLN H . 51600 1
143 . 1 . 1 48 48 GLN CA C 13 58.86827713 0 . 1 . . . . . 48 GLN CA . 51600 1
144 . 1 . 1 48 48 GLN CB C 13 28.76978001 0 . 1 . . . . . 48 GLN CB . 51600 1
145 . 1 . 1 48 48 GLN N N 15 123.0180031 0.02800924284 . 1 . . . . . 48 GLN N . 51600 1
146 . 1 . 1 55 55 HIS H H 1 8.007762525 0.002943516038 . 1 . . . . . 55 HIS H . 51600 1
147 . 1 . 1 55 55 HIS CA C 13 57.98528837 0 . 1 . . . . . 55 HIS CA . 51600 1
148 . 1 . 1 55 55 HIS CB C 13 31.55662223 0 . 1 . . . . . 55 HIS CB . 51600 1
149 . 1 . 1 55 55 HIS N N 15 116.7338608 0.03658697387 . 1 . . . . . 55 HIS N . 51600 1
150 . 1 . 1 56 56 LEU H H 1 7.339674258 0.00257366401 . 1 . . . . . 56 LEU H . 51600 1
151 . 1 . 1 56 56 LEU CA C 13 54.39108961 0 . 1 . . . . . 56 LEU CA . 51600 1
152 . 1 . 1 56 56 LEU CB C 13 44.71065954 0 . 1 . . . . . 56 LEU CB . 51600 1
153 . 1 . 1 56 56 LEU N N 15 118.990358 0.02634990684 . 1 . . . . . 56 LEU N . 51600 1
154 . 1 . 1 57 57 THR H H 1 8.331383539 0.001650478879 . 1 . . . . . 57 THR H . 51600 1
155 . 1 . 1 57 57 THR CA C 13 58.56152345 0 . 1 . . . . . 57 THR CA . 51600 1
156 . 1 . 1 57 57 THR CB C 13 70.07536617 0 . 1 . . . . . 57 THR CB . 51600 1
157 . 1 . 1 57 57 THR N N 15 109.4320155 0.03409522021 . 1 . . . . . 57 THR N . 51600 1
158 . 1 . 1 59 59 ARG H H 1 7.900882964 0.001115874682 . 1 . . . . . 59 ARG H . 51600 1
159 . 1 . 1 59 59 ARG CA C 13 59.22462202 0 . 1 . . . . . 59 ARG CA . 51600 1
160 . 1 . 1 59 59 ARG CB C 13 29.44707722 0 . 1 . . . . . 59 ARG CB . 51600 1
161 . 1 . 1 59 59 ARG N N 15 113.3159056 0.03118636426 . 1 . . . . . 59 ARG N . 51600 1
162 . 1 . 1 60 60 GLU H H 1 7.32554191 0.0007767374979 . 1 . . . . . 60 GLU H . 51600 1
163 . 1 . 1 60 60 GLU CA C 13 59.13685819 0 . 1 . . . . . 60 GLU CA . 51600 1
164 . 1 . 1 60 60 GLU CB C 13 28.9490131 0 . 1 . . . . . 60 GLU CB . 51600 1
165 . 1 . 1 60 60 GLU N N 15 119.8169409 0.01843470585 . 1 . . . . . 60 GLU N . 51600 1
166 . 1 . 1 61 61 LEU H H 1 7.387771979 0.002295530343 . 1 . . . . . 61 LEU H . 51600 1
167 . 1 . 1 61 61 LEU CA C 13 58.6194476 0 . 1 . . . . . 61 LEU CA . 51600 1
168 . 1 . 1 61 61 LEU CB C 13 41.94665069 0 . 1 . . . . . 61 LEU CB . 51600 1
169 . 1 . 1 61 61 LEU N N 15 119.8580184 0.02462258169 . 1 . . . . . 61 LEU N . 51600 1
170 . 1 . 1 62 62 ALA H H 1 9.084584943 0.002669127534 . 1 . . . . . 62 ALA H . 51600 1
171 . 1 . 1 62 62 ALA CA C 13 54.8905313 0 . 1 . . . . . 62 ALA CA . 51600 1
172 . 1 . 1 62 62 ALA CB C 13 18.16199133 0 . 1 . . . . . 62 ALA CB . 51600 1
173 . 1 . 1 62 62 ALA N N 15 121.3860801 0.02191395813 . 1 . . . . . 62 ALA N . 51600 1
174 . 1 . 1 63 63 SER H H 1 7.996365594 0.00484609896 . 1 . . . . . 63 SER H . 51600 1
175 . 1 . 1 63 63 SER CA C 13 61.24369058 0 . 1 . . . . . 63 SER CA . 51600 1
176 . 1 . 1 63 63 SER CB C 13 63.08016329 0 . 1 . . . . . 63 SER CB . 51600 1
177 . 1 . 1 63 63 SER N N 15 116.8097732 0.02345117477 . 1 . . . . . 63 SER N . 51600 1
178 . 1 . 1 64 64 ALA H H 1 7.193734082 0.005210916737 . 1 . . . . . 64 ALA H . 51600 1
179 . 1 . 1 64 64 ALA CA C 13 51.43064752 0 . 1 . . . . . 64 ALA CA . 51600 1
180 . 1 . 1 64 64 ALA CB C 13 18.18616626 0 . 1 . . . . . 64 ALA CB . 51600 1
181 . 1 . 1 64 64 ALA N N 15 120.7823818 0.02848132997 . 1 . . . . . 64 ALA N . 51600 1
182 . 1 . 1 65 65 GLY H H 1 7.562288524 0.001328382633 . 1 . . . . . 65 GLY H . 51600 1
183 . 1 . 1 65 65 GLY CA C 13 45.53572895 0 . 1 . . . . . 65 GLY CA . 51600 1
184 . 1 . 1 65 65 GLY N N 15 105.1783842 0.02336153908 . 1 . . . . . 65 GLY N . 51600 1
185 . 1 . 1 66 66 LEU H H 1 7.627259226 0.002599273942 . 1 . . . . . 66 LEU H . 51600 1
186 . 1 . 1 66 66 LEU CA C 13 53.39000408 0 . 1 . . . . . 66 LEU CA . 51600 1
187 . 1 . 1 66 66 LEU CB C 13 42.36120505 0 . 1 . . . . . 66 LEU CB . 51600 1
188 . 1 . 1 66 66 LEU N N 15 118.9172778 0.03345400957 . 1 . . . . . 66 LEU N . 51600 1
189 . 1 . 1 67 67 TYR H H 1 8.9910985 0.001132809217 . 1 . . . . . 67 TYR H . 51600 1
190 . 1 . 1 67 67 TYR CA C 13 54.51482467 0 . 1 . . . . . 67 TYR CA . 51600 1
191 . 1 . 1 67 67 TYR CB C 13 42.26390584 0 . 1 . . . . . 67 TYR CB . 51600 1
192 . 1 . 1 67 67 TYR N N 15 115.9554946 0.02270223811 . 1 . . . . . 67 TYR N . 51600 1
193 . 1 . 1 71 71 ILE H H 1 7.001479936 0.002244415782 . 1 . . . . . 71 ILE H . 51600 1
194 . 1 . 1 71 71 ILE CA C 13 59.21821405 0 . 1 . . . . . 71 ILE CA . 51600 1
195 . 1 . 1 71 71 ILE CB C 13 40.15777368 0 . 1 . . . . . 71 ILE CB . 51600 1
196 . 1 . 1 71 71 ILE N N 15 119.4221534 0.03412592997 . 1 . . . . . 71 ILE N . 51600 1
197 . 1 . 1 72 72 GLY H H 1 8.955499972 0.001053039947 . 1 . . . . . 72 GLY H . 51600 1
198 . 1 . 1 72 72 GLY CA C 13 47.34775672 0 . 1 . . . . . 72 GLY CA . 51600 1
199 . 1 . 1 72 72 GLY N N 15 114.5565576 0.03062077006 . 1 . . . . . 72 GLY N . 51600 1
200 . 1 . 1 73 73 ASP H H 1 8.425108466 0.002986296007 . 1 . . . . . 73 ASP H . 51600 1
201 . 1 . 1 73 73 ASP CA C 13 51.99702238 0 . 1 . . . . . 73 ASP CA . 51600 1
202 . 1 . 1 73 73 ASP CB C 13 41.01706793 0 . 1 . . . . . 73 ASP CB . 51600 1
203 . 1 . 1 73 73 ASP N N 15 127.7643456 0.0209048326 . 1 . . . . . 73 ASP N . 51600 1
204 . 1 . 1 74 74 GLN H H 1 8.742882341 0.002968919818 . 1 . . . . . 74 GLN H . 51600 1
205 . 1 . 1 74 74 GLN CA C 13 56.39813924 0 . 1 . . . . . 74 GLN CA . 51600 1
206 . 1 . 1 74 74 GLN CB C 13 30.61450273 0 . 1 . . . . . 74 GLN CB . 51600 1
207 . 1 . 1 74 74 GLN N N 15 117.7926275 0.02239129943 . 1 . . . . . 74 GLN N . 51600 1
208 . 1 . 1 75 75 VAL H H 1 9.573808449 0.006529850902 . 1 . . . . . 75 VAL H . 51600 1
209 . 1 . 1 75 75 VAL CA C 13 58.37870043 0 . 1 . . . . . 75 VAL CA . 51600 1
210 . 1 . 1 75 75 VAL CB C 13 34.5787762 0 . 1 . . . . . 75 VAL CB . 51600 1
211 . 1 . 1 75 75 VAL N N 15 122.9552567 0.03363597114 . 1 . . . . . 75 VAL N . 51600 1
212 . 1 . 1 76 76 GLN H H 1 8.740672642 0.003606796856 . 1 . . . . . 76 GLN H . 51600 1
213 . 1 . 1 76 76 GLN CA C 13 52.80747085 0 . 1 . . . . . 76 GLN CA . 51600 1
214 . 1 . 1 76 76 GLN CB C 13 32.43224435 0 . 1 . . . . . 76 GLN CB . 51600 1
215 . 1 . 1 76 76 GLN N N 15 120.1819938 0.02462394997 . 1 . . . . . 76 GLN N . 51600 1
216 . 1 . 1 77 77 CYS H H 1 8.224626097 0.0007356230624 . 1 . . . . . 77 CYS H . 51600 1
217 . 1 . 1 77 77 CYS CA C 13 57.93779452 0 . 1 . . . . . 77 CYS CA . 51600 1
218 . 1 . 1 77 77 CYS N N 15 123.9866827 0.02388262826 . 1 . . . . . 77 CYS N . 51600 1
219 . 1 . 1 78 78 PHE H H 1 8.421246037 0.003109544939 . 1 . . . . . 78 PHE H . 51600 1
220 . 1 . 1 78 78 PHE CA C 13 60.33551782 0 . 1 . . . . . 78 PHE CA . 51600 1
221 . 1 . 1 78 78 PHE CB C 13 39.85496774 0 . 1 . . . . . 78 PHE CB . 51600 1
222 . 1 . 1 78 78 PHE N N 15 128.8923358 0.01336396311 . 1 . . . . . 78 PHE N . 51600 1
223 . 1 . 1 79 79 ALA H H 1 9.235412155 0.005779784067 . 1 . . . . . 79 ALA H . 51600 1
224 . 1 . 1 79 79 ALA CA C 13 54.25134949 0 . 1 . . . . . 79 ALA CA . 51600 1
225 . 1 . 1 79 79 ALA CB C 13 20.42217308 0 . 1 . . . . . 79 ALA CB . 51600 1
226 . 1 . 1 79 79 ALA N N 15 129.8711819 0.02757645451 . 1 . . . . . 79 ALA N . 51600 1
227 . 1 . 1 80 80 CYS H H 1 8.840295796 0.003935099555 . 1 . . . . . 80 CYS H . 51600 1
228 . 1 . 1 80 80 CYS CA C 13 58.98432022 0 . 1 . . . . . 80 CYS CA . 51600 1
229 . 1 . 1 80 80 CYS CB C 13 32.38514878 0 . 1 . . . . . 80 CYS CB . 51600 1
230 . 1 . 1 80 80 CYS N N 15 117.8083656 0.02565163759 . 1 . . . . . 80 CYS N . 51600 1
231 . 1 . 1 81 81 GLY H H 1 7.132260357 0.001488416976 . 1 . . . . . 81 GLY H . 51600 1
232 . 1 . 1 81 81 GLY CA C 13 45.7152985 0 . 1 . . . . . 81 GLY CA . 51600 1
233 . 1 . 1 81 81 GLY N N 15 110.1966145 0.03408106386 . 1 . . . . . 81 GLY N . 51600 1
234 . 1 . 1 82 82 GLY H H 1 9.054501273 0.0005590523343 . 1 . . . . . 82 GLY H . 51600 1
235 . 1 . 1 82 82 GLY CA C 13 44.97792988 0 . 1 . . . . . 82 GLY CA . 51600 1
236 . 1 . 1 82 82 GLY N N 15 115.7568119 0.01734685336 . 1 . . . . . 82 GLY N . 51600 1
237 . 1 . 1 83 83 LYS H H 1 7.997341567 0.0006907308479 . 1 . . . . . 83 LYS H . 51600 1
238 . 1 . 1 83 83 LYS CA C 13 54.87438411 0 . 1 . . . . . 83 LYS CA . 51600 1
239 . 1 . 1 83 83 LYS CB C 13 35.5281068 0 . 1 . . . . . 83 LYS CB . 51600 1
240 . 1 . 1 83 83 LYS N N 15 121.4527285 0.02853863468 . 1 . . . . . 83 LYS N . 51600 1
241 . 1 . 1 84 84 LEU H H 1 8.388966237 0.003124071388 . 1 . . . . . 84 LEU H . 51600 1
242 . 1 . 1 84 84 LEU CA C 13 53.97003143 0 . 1 . . . . . 84 LEU CA . 51600 1
243 . 1 . 1 84 84 LEU CB C 13 47.16205222 0 . 1 . . . . . 84 LEU CB . 51600 1
244 . 1 . 1 84 84 LEU N N 15 120.9900715 0.02892478033 . 1 . . . . . 84 LEU N . 51600 1
245 . 1 . 1 85 85 LYS H H 1 8.039867105 0.0005482323507 . 1 . . . . . 85 LYS H . 51600 1
246 . 1 . 1 85 85 LYS CA C 13 54.59120209 0 . 1 . . . . . 85 LYS CA . 51600 1
247 . 1 . 1 85 85 LYS CB C 13 35.89642275 0 . 1 . . . . . 85 LYS CB . 51600 1
248 . 1 . 1 85 85 LYS N N 15 118.3640564 0.03675110473 . 1 . . . . . 85 LYS N . 51600 1
249 . 1 . 1 90 90 GLY H H 1 8.746458108 0.001728867499 . 1 . . . . . 90 GLY H . 51600 1
250 . 1 . 1 90 90 GLY CA C 13 44.98112576 0 . 1 . . . . . 90 GLY CA . 51600 1
251 . 1 . 1 90 90 GLY N N 15 113.4270961 0.05810455118 . 1 . . . . . 90 GLY N . 51600 1
252 . 1 . 1 91 91 ASP H H 1 8.141838106 0.004939333947 . 1 . . . . . 91 ASP H . 51600 1
253 . 1 . 1 91 91 ASP CA C 13 55.33866743 0 . 1 . . . . . 91 ASP CA . 51600 1
254 . 1 . 1 91 91 ASP CB C 13 42.4292959 0 . 1 . . . . . 91 ASP CB . 51600 1
255 . 1 . 1 91 91 ASP N N 15 122.4608919 0.001538430092 . 1 . . . . . 91 ASP N . 51600 1
256 . 1 . 1 92 92 ARG H H 1 8.902851247 0.001562884392 . 1 . . . . . 92 ARG H . 51600 1
257 . 1 . 1 92 92 ARG CA C 13 53.6663676 0 . 1 . . . . . 92 ARG CA . 51600 1
258 . 1 . 1 92 92 ARG CB C 13 32.78436897 0 . 1 . . . . . 92 ARG CB . 51600 1
259 . 1 . 1 92 92 ARG N N 15 117.9021426 0.02542302002 . 1 . . . . . 92 ARG N . 51600 1
260 . 1 . 1 93 93 ALA H H 1 8.531933464 0.005318343618 . 1 . . . . . 93 ALA H . 51600 1
261 . 1 . 1 93 93 ALA CA C 13 55.76894571 0 . 1 . . . . . 93 ALA CA . 51600 1
262 . 1 . 1 93 93 ALA CB C 13 20.4836756 0 . 1 . . . . . 93 ALA CB . 51600 1
263 . 1 . 1 93 93 ALA N N 15 126.3495728 0.02924278153 . 1 . . . . . 93 ALA N . 51600 1
264 . 1 . 1 94 94 TRP H H 1 9.779694384 0.001004945914 . 1 . . . . . 94 TRP H . 51600 1
265 . 1 . 1 94 94 TRP CA C 13 61.16166141 0 . 1 . . . . . 94 TRP CA . 51600 1
266 . 1 . 1 94 94 TRP CB C 13 29.5474192 0 . 1 . . . . . 94 TRP CB . 51600 1
267 . 1 . 1 94 94 TRP N N 15 117.4104425 0.02133039804 . 1 . . . . . 94 TRP N . 51600 1
268 . 1 . 1 95 95 SER H H 1 7.042689911 0.004614290875 . 1 . . . . . 95 SER H . 51600 1
269 . 1 . 1 95 95 SER CA C 13 61.26710878 0 . 1 . . . . . 95 SER CA . 51600 1
270 . 1 . 1 95 95 SER CB C 13 62.65884814 0 . 1 . . . . . 95 SER CB . 51600 1
271 . 1 . 1 95 95 SER N N 15 110.6942485 0.02615853833 . 1 . . . . . 95 SER N . 51600 1
272 . 1 . 1 96 96 GLU H H 1 8.259615252 0.005592689144 . 1 . . . . . 96 GLU H . 51600 1
273 . 1 . 1 96 96 GLU CA C 13 58.50562618 0 . 1 . . . . . 96 GLU CA . 51600 1
274 . 1 . 1 96 96 GLU CB C 13 30.00748307 0 . 1 . . . . . 96 GLU CB . 51600 1
275 . 1 . 1 96 96 GLU N N 15 119.4628985 0.05522441293 . 1 . . . . . 96 GLU N . 51600 1
276 . 1 . 1 97 97 HIS H H 1 8.52040662 0.004196840208 . 1 . . . . . 97 HIS H . 51600 1
277 . 1 . 1 97 97 HIS CA C 13 58.13744587 0 . 1 . . . . . 97 HIS CA . 51600 1
278 . 1 . 1 97 97 HIS CB C 13 29.97919165 0 . 1 . . . . . 97 HIS CB . 51600 1
279 . 1 . 1 97 97 HIS N N 15 120.0289297 0.04770755374 . 1 . . . . . 97 HIS N . 51600 1
280 . 1 . 1 98 98 ARG H H 1 8.1913785 0.00292092533 . 1 . . . . . 98 ARG H . 51600 1
281 . 1 . 1 98 98 ARG CA C 13 58.81481371 0 . 1 . . . . . 98 ARG CA . 51600 1
282 . 1 . 1 98 98 ARG CB C 13 30.1728897 0 . 1 . . . . . 98 ARG CB . 51600 1
283 . 1 . 1 98 98 ARG N N 15 115.5443903 0.02817724508 . 1 . . . . . 98 ARG N . 51600 1
284 . 1 . 1 99 99 ARG H H 1 7.854710031 0.005702073248 . 1 . . . . . 99 ARG H . 51600 1
285 . 1 . 1 99 99 ARG CA C 13 58.74594998 0 . 1 . . . . . 99 ARG CA . 51600 1
286 . 1 . 1 99 99 ARG CB C 13 30.81776834 0 . 1 . . . . . 99 ARG CB . 51600 1
287 . 1 . 1 99 99 ARG N N 15 117.167685 0.02834731498 . 1 . . . . . 99 ARG N . 51600 1
288 . 1 . 1 103 103 ASN H H 1 8.381951837 0.00100049957 . 1 . . . . . 103 ASN H . 51600 1
289 . 1 . 1 103 103 ASN CA C 13 52.10958366 0 . 1 . . . . . 103 ASN CA . 51600 1
290 . 1 . 1 103 103 ASN CB C 13 38.82738665 0 . 1 . . . . . 103 ASN CB . 51600 1
291 . 1 . 1 103 103 ASN N N 15 113.1232754 0.03031645531 . 1 . . . . . 103 ASN N . 51600 1
292 . 1 . 1 104 104 CYS H H 1 7.598042642 0.004022841474 . 1 . . . . . 104 CYS H . 51600 1
293 . 1 . 1 104 104 CYS CA C 13 59.6586567 0 . 1 . . . . . 104 CYS CA . 51600 1
294 . 1 . 1 104 104 CYS CB C 13 30.1729846 0 . 1 . . . . . 104 CYS CB . 51600 1
295 . 1 . 1 104 104 CYS N N 15 124.5929513 0.02560799626 . 1 . . . . . 104 CYS N . 51600 1
296 . 1 . 1 105 105 PHE H H 1 8.762949994 0.001928866144 . 1 . . . . . 105 PHE H . 51600 1
297 . 1 . 1 105 105 PHE CA C 13 60.56237115 0 . 1 . . . . . 105 PHE CA . 51600 1
298 . 1 . 1 105 105 PHE CB C 13 37.97378167 0 . 1 . . . . . 105 PHE CB . 51600 1
299 . 1 . 1 105 105 PHE N N 15 128.2661009 0.01553770648 . 1 . . . . . 105 PHE N . 51600 1
300 . 1 . 1 106 106 PHE H H 1 8.661231038 0.002111117078 . 1 . . . . . 106 PHE H . 51600 1
301 . 1 . 1 106 106 PHE CA C 13 61.26997891 0 . 1 . . . . . 106 PHE CA . 51600 1
302 . 1 . 1 106 106 PHE CB C 13 40.50730774 0 . 1 . . . . . 106 PHE CB . 51600 1
303 . 1 . 1 106 106 PHE N N 15 127.3204845 0.02775718118 . 1 . . . . . 106 PHE N . 51600 1
304 . 1 . 1 107 107 VAL H H 1 7.668038486 0.002836423647 . 1 . . . . . 107 VAL H . 51600 1
305 . 1 . 1 107 107 VAL CA C 13 65.03571897 0 . 1 . . . . . 107 VAL CA . 51600 1
306 . 1 . 1 107 107 VAL CB C 13 31.98077888 0 . 1 . . . . . 107 VAL CB . 51600 1
307 . 1 . 1 107 107 VAL N N 15 122.5552283 0.04402883541 . 1 . . . . . 107 VAL N . 51600 1
308 . 1 . 1 108 108 LEU H H 1 8.205706123 0.001611552054 . 1 . . . . . 108 LEU H . 51600 1
309 . 1 . 1 108 108 LEU CA C 13 56.28494376 0 . 1 . . . . . 108 LEU CA . 51600 1
310 . 1 . 1 108 108 LEU CB C 13 42.63693645 0 . 1 . . . . . 108 LEU CB . 51600 1
311 . 1 . 1 108 108 LEU N N 15 118.0357919 0.0267520985 . 1 . . . . . 108 LEU N . 51600 1
312 . 1 . 1 109 109 GLY H H 1 7.765952617 0.00117164418 . 1 . . . . . 109 GLY H . 51600 1
313 . 1 . 1 109 109 GLY CA C 13 45.98010879 0 . 1 . . . . . 109 GLY CA . 51600 1
314 . 1 . 1 109 109 GLY N N 15 107.064517 0.02078140479 . 1 . . . . . 109 GLY N . 51600 1
315 . 1 . 1 114 114 ILE H H 1 7.893696872 0.003117340452 . 1 . . . . . 114 ILE H . 51600 1
316 . 1 . 1 114 114 ILE CA C 13 60.88551353 0 . 1 . . . . . 114 ILE CA . 51600 1
317 . 1 . 1 114 114 ILE CB C 13 38.84364649 0 . 1 . . . . . 114 ILE CB . 51600 1
318 . 1 . 1 114 114 ILE N N 15 120.1058698 0.02969277259 . 1 . . . . . 114 ILE N . 51600 1
319 . 1 . 1 115 115 ARG H H 1 8.437486603 0.003120593574 . 1 . . . . . 115 ARG H . 51600 1
320 . 1 . 1 115 115 ARG CA C 13 55.88400269 0 . 1 . . . . . 115 ARG CA . 51600 1
321 . 1 . 1 115 115 ARG CB C 13 30.94806191 0 . 1 . . . . . 115 ARG CB . 51600 1
322 . 1 . 1 115 115 ARG N N 15 125.4240469 0.04295003519 . 1 . . . . . 115 ARG N . 51600 1
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