Content for NMR-STAR saveframe, "assigned_chemical_shifts_1_A2JD"
save_assigned_chemical_shifts_1_A2JD
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1_A2JD
_Assigned_chem_shift_list.Entry_ID 50168
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name A2JD
_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 2.66
_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 CBCA(CO)NH' . . . 50168 1
2 '3D HNCACB' . . . 50168 1
3 '3D HCACO' . . . 50168 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 2 2 ALA H H 1 8.222 0.024 . 1 . . . . . 2 ALA H . 50168 1
2 . 1 . 1 2 2 ALA C C 13 176.801 0.000 . 1 . . . . . 2 ALA C . 50168 1
3 . 1 . 1 2 2 ALA CA C 13 50.713 0.006 . 1 . . . . . 2 ALA CA . 50168 1
4 . 1 . 1 2 2 ALA CB C 13 17.509 0.000 . 1 . . . . . 2 ALA CB . 50168 1
5 . 1 . 1 2 2 ALA N N 15 125.338 1.025 . 1 . . . . . 2 ALA N . 50168 1
6 . 1 . 1 3 3 ASN H H 1 8.158 0.025 . 1 . . . . . 3 ASN H . 50168 1
7 . 1 . 1 3 3 ASN C C 13 174.665 0.000 . 1 . . . . . 3 ASN C . 50168 1
8 . 1 . 1 3 3 ASN CA C 13 51.173 0.075 . 1 . . . . . 3 ASN CA . 50168 1
9 . 1 . 1 3 3 ASN CB C 13 37.385 0.000 . 1 . . . . . 3 ASN CB . 50168 1
10 . 1 . 1 3 3 ASN N N 15 118.73 1.185 . 1 . . . . . 3 ASN N . 50168 1
11 . 1 . 1 4 4 VAL H H 1 7.707 0.020 . 1 . . . . . 4 VAL H . 50168 1
12 . 1 . 1 4 4 VAL C C 13 175.490 0.000 . 1 . . . . . 4 VAL C . 50168 1
13 . 1 . 1 4 4 VAL CA C 13 58.761 0.036 . 1 . . . . . 4 VAL CA . 50168 1
14 . 1 . 1 4 4 VAL CB C 13 31.275 0.000 . 1 . . . . . 4 VAL CB . 50168 1
15 . 1 . 1 4 4 VAL N N 15 116.053 0.924 . 1 . . . . . 4 VAL N . 50168 1
16 . 1 . 1 5 5 ALA H H 1 8.198 0.019 . 1 . . . . . 5 ALA H . 50168 1
17 . 1 . 1 5 5 ALA C C 13 178.093 0.000 . 1 . . . . . 5 ALA C . 50168 1
18 . 1 . 1 5 5 ALA CA C 13 52.878 0.012 . 1 . . . . . 5 ALA CA . 50168 1
19 . 1 . 1 5 5 ALA CB C 13 16.745 0.000 . 1 . . . . . 5 ALA CB . 50168 1
20 . 1 . 1 5 5 ALA N N 15 126.984 0.990 . 1 . . . . . 5 ALA N . 50168 1
21 . 1 . 1 6 6 ASP H H 1 8.979 0.022 . 1 . . . . . 6 ASP H . 50168 1
22 . 1 . 1 6 6 ASP C C 13 176.014 0.000 . 1 . . . . . 6 ASP C . 50168 1
23 . 1 . 1 6 6 ASP CA C 13 51.911 0.039 . 1 . . . . . 6 ASP CA . 50168 1
24 . 1 . 1 6 6 ASP CB C 13 42.410 0.000 . 1 . . . . . 6 ASP CB . 50168 1
25 . 1 . 1 6 6 ASP N N 15 118.601 1.119 . 1 . . . . . 6 ASP N . 50168 1
26 . 1 . 1 7 7 THR H H 1 8.528 0.026 . 1 . . . . . 7 THR H . 50168 1
27 . 1 . 1 7 7 THR C C 13 176.062 0.000 . 1 . . . . . 7 THR C . 50168 1
28 . 1 . 1 7 7 THR CA C 13 61.317 0.098 . 1 . . . . . 7 THR CA . 50168 1
29 . 1 . 1 7 7 THR CB C 13 67.026 0.000 . 1 . . . . . 7 THR CB . 50168 1
30 . 1 . 1 7 7 THR N N 15 114.411 1.232 . 1 . . . . . 7 THR N . 50168 1
31 . 1 . 1 8 8 LYS H H 1 8.351 0.020 . 1 . . . . . 8 LYS H . 50168 1
32 . 1 . 1 8 8 LYS C C 13 178.316 0.000 . 1 . . . . . 8 LYS C . 50168 1
33 . 1 . 1 8 8 LYS CA C 13 59.637 0.055 . 1 . . . . . 8 LYS CA . 50168 1
34 . 1 . 1 8 8 LYS CB C 13 31.108 0.000 . 1 . . . . . 8 LYS CB . 50168 1
35 . 1 . 1 8 8 LYS N N 15 124.902 1.065 . 1 . . . . . 8 LYS N . 50168 1
36 . 1 . 1 9 9 LEU H H 1 8.239 0.019 . 1 . . . . . 9 LEU H . 50168 1
37 . 1 . 1 9 9 LEU C C 13 177.787 0.000 . 1 . . . . . 9 LEU C . 50168 1
38 . 1 . 1 9 9 LEU CA C 13 56.518 0.000 . 1 . . . . . 9 LEU CA . 50168 1
39 . 1 . 1 9 9 LEU CB C 13 38.538 0.000 . 1 . . . . . 9 LEU CB . 50168 1
40 . 1 . 1 9 9 LEU N N 15 114.184 1.025 . 1 . . . . . 9 LEU N . 50168 1
41 . 1 . 1 10 10 TYR H H 1 6.676 0.011 . 1 . . . . . 10 TYR H . 50168 1
42 . 1 . 1 10 10 TYR C C 13 178.180 0.000 . 1 . . . . . 10 TYR C . 50168 1
43 . 1 . 1 10 10 TYR CA C 13 60.355 0.000 . 1 . . . . . 10 TYR CA . 50168 1
44 . 1 . 1 10 10 TYR CB C 13 34.821 0.000 . 1 . . . . . 10 TYR CB . 50168 1
45 . 1 . 1 10 10 TYR N N 15 115.909 0.092 . 1 . . . . . 10 TYR N . 50168 1
46 . 1 . 1 11 11 ASP H H 1 8.628 0.022 . 1 . . . . . 11 ASP H . 50168 1
47 . 1 . 1 11 11 ASP C C 13 180.189 0.000 . 1 . . . . . 11 ASP C . 50168 1
48 . 1 . 1 11 11 ASP CA C 13 55.536 0.032 . 1 . . . . . 11 ASP CA . 50168 1
49 . 1 . 1 11 11 ASP CB C 13 38.139 0.000 . 1 . . . . . 11 ASP CB . 50168 1
50 . 1 . 1 11 11 ASP N N 15 120.414 1.133 . 1 . . . . . 11 ASP N . 50168 1
51 . 1 . 1 12 12 ILE H H 1 8.011 0.026 . 1 . . . . . 12 ILE H . 50168 1
52 . 1 . 1 12 12 ILE C C 13 177.011 0.000 . 1 . . . . . 12 ILE C . 50168 1
53 . 1 . 1 12 12 ILE CA C 13 63.089 0.000 . 1 . . . . . 12 ILE CA . 50168 1
54 . 1 . 1 12 12 ILE CB C 13 36.190 0.000 . 1 . . . . . 12 ILE CB . 50168 1
55 . 1 . 1 12 12 ILE N N 15 121.928 1.120 . 1 . . . . . 12 ILE N . 50168 1
56 . 1 . 1 13 13 LEU H H 1 6.682 0.018 . 1 . . . . . 13 LEU H . 50168 1
57 . 1 . 1 13 13 LEU C C 13 175.703 0.000 . 1 . . . . . 13 LEU C . 50168 1
58 . 1 . 1 13 13 LEU CA C 13 53.086 0.000 . 1 . . . . . 13 LEU CA . 50168 1
59 . 1 . 1 13 13 LEU CB C 13 41.290 0.000 . 1 . . . . . 13 LEU CB . 50168 1
60 . 1 . 1 13 13 LEU N N 15 116.559 1.082 . 1 . . . . . 13 LEU N . 50168 1
61 . 1 . 1 14 14 GLY H H 1 7.909 0.020 . 1 . . . . . 14 GLY H . 50168 1
62 . 1 . 1 14 14 GLY C C 13 175.175 0.000 . 1 . . . . . 14 GLY C . 50168 1
63 . 1 . 1 14 14 GLY CA C 13 44.822 0.019 . 1 . . . . . 14 GLY CA . 50168 1
64 . 1 . 1 14 14 GLY N N 15 108.543 1.082 . 1 . . . . . 14 GLY N . 50168 1
65 . 1 . 1 15 15 VAL H H 1 7.626 0.018 . 1 . . . . . 15 VAL H . 50168 1
66 . 1 . 1 15 15 VAL C C 13 172.392 0.000 . 1 . . . . . 15 VAL C . 50168 1
67 . 1 . 1 15 15 VAL CA C 13 55.198 0.000 . 1 . . . . . 15 VAL CA . 50168 1
68 . 1 . 1 15 15 VAL CB C 13 31.149 0.000 . 1 . . . . . 15 VAL CB . 50168 1
69 . 1 . 1 15 15 VAL N N 15 112.053 0.966 . 1 . . . . . 15 VAL N . 50168 1
70 . 1 . 1 18 18 GLY H H 1 7.217 0.029 . 1 . . . . . 18 GLY H . 50168 1
71 . 1 . 1 18 18 GLY C C 13 174.378 0.000 . 1 . . . . . 18 GLY C . 50168 1
72 . 1 . 1 18 18 GLY CA C 13 42.840 0.025 . 1 . . . . . 18 GLY CA . 50168 1
73 . 1 . 1 18 18 GLY N N 15 105.544 1.214 . 1 . . . . . 18 GLY N . 50168 1
74 . 1 . 1 19 19 ALA H H 1 7.335 0.023 . 1 . . . . . 19 ALA H . 50168 1
75 . 1 . 1 19 19 ALA C C 13 177.373 0.000 . 1 . . . . . 19 ALA C . 50168 1
76 . 1 . 1 19 19 ALA CA C 13 50.975 0.004 . 1 . . . . . 19 ALA CA . 50168 1
77 . 1 . 1 19 19 ALA CB C 13 17.702 0.000 . 1 . . . . . 19 ALA CB . 50168 1
78 . 1 . 1 19 19 ALA N N 15 122.628 0.950 . 1 . . . . . 19 ALA N . 50168 1
79 . 1 . 1 20 20 SER H H 1 8.833 0.029 . 1 . . . . . 20 SER H . 50168 1
80 . 1 . 1 20 20 SER C C 13 174.735 0.000 . 1 . . . . . 20 SER C . 50168 1
81 . 1 . 1 20 20 SER CA C 13 55.444 0.035 . 1 . . . . . 20 SER CA . 50168 1
82 . 1 . 1 20 20 SER CB C 13 63.913 0.000 . 1 . . . . . 20 SER CB . 50168 1
83 . 1 . 1 20 20 SER N N 15 118.806 0.912 . 1 . . . . . 20 SER N . 50168 1
84 . 1 . 1 21 21 GLU H H 1 9.027 0.002 . 1 . . . . . 21 GLU H . 50168 1
85 . 1 . 1 21 21 GLU C C 13 179.053 0.000 . 1 . . . . . 21 GLU C . 50168 1
86 . 1 . 1 21 21 GLU CA C 13 58.926 0.000 . 1 . . . . . 21 GLU CA . 50168 1
87 . 1 . 1 21 21 GLU CB C 13 27.708 0.000 . 1 . . . . . 21 GLU CB . 50168 1
88 . 1 . 1 21 21 GLU N N 15 121.02 0.030 . 1 . . . . . 21 GLU N . 50168 1
89 . 1 . 1 22 22 ASN C C 13 177.955 0.000 . 1 . . . . . 22 ASN C . 50168 1
90 . 1 . 1 22 22 ASN CA C 13 54.813 0.000 . 1 . . . . . 22 ASN CA . 50168 1
91 . 1 . 1 22 22 ASN CB C 13 36.729 0.000 . 1 . . . . . 22 ASN CB . 50168 1
92 . 1 . 1 23 23 GLU H H 1 7.778 0.000 . 1 . . . . . 23 GLU H . 50168 1
93 . 1 . 1 23 23 GLU C C 13 179.945 0.000 . 1 . . . . . 23 GLU C . 50168 1
94 . 1 . 1 23 23 GLU CB C 13 28.048 0.000 . 1 . . . . . 23 GLU CB . 50168 1
95 . 1 . 1 23 23 GLU N N 15 121.722 0.888 . 1 . . . . . 23 GLU N . 50168 1
96 . 1 . 1 24 24 LEU H H 1 8.318 0.027 . 1 . . . . . 24 LEU H . 50168 1
97 . 1 . 1 24 24 LEU C C 13 177.927 0.000 . 1 . . . . . 24 LEU C . 50168 1
98 . 1 . 1 24 24 LEU CA C 13 57.020 0.000 . 1 . . . . . 24 LEU CA . 50168 1
99 . 1 . 1 24 24 LEU CB C 13 40.937 0.000 . 1 . . . . . 24 LEU CB . 50168 1
100 . 1 . 1 24 24 LEU N N 15 120.847 1.143 . 1 . . . . . 24 LEU N . 50168 1
101 . 1 . 1 25 25 LYS H H 1 7.944 0.000 . 1 . . . . . 25 LYS H . 50168 1
102 . 1 . 1 25 25 LYS C C 13 178.492 0.000 . 1 . . . . . 25 LYS C . 50168 1
103 . 1 . 1 25 25 LYS N N 15 118.879 0.018 . 1 . . . . . 25 LYS N . 50168 1
104 . 1 . 1 26 26 LYS H H 1 7.93 0.034 . 1 . . . . . 26 LYS H . 50168 1
105 . 1 . 1 26 26 LYS C C 13 179.217 0.000 . 1 . . . . . 26 LYS C . 50168 1
106 . 1 . 1 26 26 LYS CA C 13 58.234 0.000 . 1 . . . . . 26 LYS CA . 50168 1
107 . 1 . 1 26 26 LYS CB C 13 30.979 0.000 . 1 . . . . . 26 LYS CB . 50168 1
108 . 1 . 1 26 26 LYS N N 15 119.165 0.727 . 1 . . . . . 26 LYS N . 50168 1
109 . 1 . 1 27 27 ALA H H 1 7.744 0.019 . 1 . . . . . 27 ALA H . 50168 1
110 . 1 . 1 27 27 ALA C C 13 179.750 0.000 . 1 . . . . . 27 ALA C . 50168 1
111 . 1 . 1 27 27 ALA CA C 13 53.484 0.013 . 1 . . . . . 27 ALA CA . 50168 1
112 . 1 . 1 27 27 ALA CB C 13 17.239 0.019 . 1 . . . . . 27 ALA CB . 50168 1
113 . 1 . 1 27 27 ALA N N 15 122.681 1.245 . 1 . . . . . 27 ALA N . 50168 1
114 . 1 . 1 28 28 TYR H H 1 8.263 0.023 . 1 . . . . . 28 TYR H . 50168 1
115 . 1 . 1 28 28 TYR C C 13 176.243 0.000 . 1 . . . . . 28 TYR C . 50168 1
116 . 1 . 1 28 28 TYR CA C 13 59.939 0.049 . 1 . . . . . 28 TYR CA . 50168 1
117 . 1 . 1 28 28 TYR CB C 13 37.265 0.000 . 1 . . . . . 28 TYR CB . 50168 1
118 . 1 . 1 28 28 TYR N N 15 117.989 0.982 . 1 . . . . . 28 TYR N . 50168 1
119 . 1 . 1 29 29 ARG H H 1 8.232 0.019 . 1 . . . . . 29 ARG H . 50168 1
120 . 1 . 1 29 29 ARG C C 13 179.157 0.000 . 1 . . . . . 29 ARG C . 50168 1
121 . 1 . 1 29 29 ARG CA C 13 57.778 0.032 . 1 . . . . . 29 ARG CA . 50168 1
122 . 1 . 1 29 29 ARG CB C 13 28.020 0.025 . 1 . . . . . 29 ARG CB . 50168 1
123 . 1 . 1 29 29 ARG N N 15 117.382 0.852 . 1 . . . . . 29 ARG N . 50168 1
124 . 1 . 1 30 30 LYS H H 1 7.414 0.018 . 1 . . . . . 30 LYS H . 50168 1
125 . 1 . 1 30 30 LYS C C 13 179.149 0.000 . 1 . . . . . 30 LYS C . 50168 1
126 . 1 . 1 30 30 LYS CA C 13 57.859 0.000 . 1 . . . . . 30 LYS CA . 50168 1
127 . 1 . 1 30 30 LYS CB C 13 31.070 0.000 . 1 . . . . . 30 LYS CB . 50168 1
128 . 1 . 1 30 30 LYS N N 15 119.347 0.784 . 1 . . . . . 30 LYS N . 50168 1
129 . 1 . 1 31 31 LEU H H 1 7.824 0.018 . 1 . . . . . 31 LEU H . 50168 1
130 . 1 . 1 31 31 LEU C C 13 178.870 0.000 . 1 . . . . . 31 LEU C . 50168 1
131 . 1 . 1 31 31 LEU CA C 13 55.970 0.030 . 1 . . . . . 31 LEU CA . 50168 1
132 . 1 . 1 31 31 LEU CB C 13 40.888 0.000 . 1 . . . . . 31 LEU CB . 50168 1
133 . 1 . 1 31 31 LEU N N 15 120.811 0.971 . 1 . . . . . 31 LEU N . 50168 1
134 . 1 . 1 32 32 ALA H H 1 8.929 0.025 . 1 . . . . . 32 ALA H . 50168 1
135 . 1 . 1 32 32 ALA C C 13 179.376 0.000 . 1 . . . . . 32 ALA C . 50168 1
136 . 1 . 1 32 32 ALA CA C 13 53.402 0.008 . 1 . . . . . 32 ALA CA . 50168 1
137 . 1 . 1 32 32 ALA CB C 13 15.313 0.000 . 1 . . . . . 32 ALA CB . 50168 1
138 . 1 . 1 32 32 ALA N N 15 122.442 0.943 . 1 . . . . . 32 ALA N . 50168 1
139 . 1 . 1 33 33 LYS H H 1 6.987 0.003 . 1 . . . . . 33 LYS H . 50168 1
140 . 1 . 1 33 33 LYS C C 13 177.957 0.000 . 1 . . . . . 33 LYS C . 50168 1
141 . 1 . 1 33 33 LYS CA C 13 57.178 0.000 . 1 . . . . . 33 LYS CA . 50168 1
142 . 1 . 1 33 33 LYS CB C 13 30.716 0.000 . 1 . . . . . 33 LYS CB . 50168 1
143 . 1 . 1 33 33 LYS N N 15 115.667 0.079 . 1 . . . . . 33 LYS N . 50168 1
144 . 1 . 1 34 34 GLU H H 1 7.138 0.018 . 1 . . . . . 34 GLU H . 50168 1
145 . 1 . 1 34 34 GLU C C 13 177.846 0.000 . 1 . . . . . 34 GLU C . 50168 1
146 . 1 . 1 34 34 GLU CA C 13 56.235 0.029 . 1 . . . . . 34 GLU CA . 50168 1
147 . 1 . 1 34 34 GLU CB C 13 28.486 0.000 . 1 . . . . . 34 GLU CB . 50168 1
148 . 1 . 1 34 34 GLU N N 15 117.461 0.927 . 1 . . . . . 34 GLU N . 50168 1
149 . 1 . 1 35 35 TYR H H 1 7.866 0.022 . 1 . . . . . 35 TYR H . 50168 1
150 . 1 . 1 35 35 TYR C C 13 173.323 0.000 . 1 . . . . . 35 TYR C . 50168 1
151 . 1 . 1 35 35 TYR CA C 13 55.538 0.084 . 1 . . . . . 35 TYR CA . 50168 1
152 . 1 . 1 35 35 TYR CB C 13 36.939 0.000 . 1 . . . . . 35 TYR CB . 50168 1
153 . 1 . 1 35 35 TYR N N 15 114.675 0.794 . 1 . . . . . 35 TYR N . 50168 1
154 . 1 . 1 36 36 HIS H H 1 7.199 0.026 . 1 . . . . . 36 HIS H . 50168 1
155 . 1 . 1 36 36 HIS C C 13 175.402 0.000 . 1 . . . . . 36 HIS C . 50168 1
156 . 1 . 1 36 36 HIS CA C 13 55.057 0.000 . 1 . . . . . 36 HIS CA . 50168 1
157 . 1 . 1 36 36 HIS CB C 13 29.639 0.000 . 1 . . . . . 36 HIS CB . 50168 1
158 . 1 . 1 36 36 HIS N N 15 122.229 0.686 . 1 . . . . . 36 HIS N . 50168 1
159 . 1 . 1 37 37 PRO CA C 13 63.060 0.000 . 1 . . . . . 37 PRO CA . 50168 1
160 . 1 . 1 37 37 PRO CB C 13 30.283 0.000 . 1 . . . . . 37 PRO CB . 50168 1
161 . 1 . 1 38 38 ASP H H 1 10.221 0.022 . 1 . . . . . 38 ASP H . 50168 1
162 . 1 . 1 38 38 ASP C C 13 177.361 0.000 . 1 . . . . . 38 ASP C . 50168 1
163 . 1 . 1 38 38 ASP CA C 13 54.635 0.000 . 1 . . . . . 38 ASP CA . 50168 1
164 . 1 . 1 38 38 ASP CB C 13 38.672 0.000 . 1 . . . . . 38 ASP CB . 50168 1
165 . 1 . 1 38 38 ASP N N 15 120.547 0.000 . 1 . . . . . 38 ASP N . 50168 1
166 . 1 . 1 39 39 LYS H H 1 7.778 0.024 . 1 . . . . . 39 LYS H . 50168 1
167 . 1 . 1 39 39 LYS C C 13 176.196 0.000 . 1 . . . . . 39 LYS C . 50168 1
168 . 1 . 1 39 39 LYS CA C 13 54.286 0.009 . 1 . . . . . 39 LYS CA . 50168 1
169 . 1 . 1 39 39 LYS CB C 13 32.059 0.031 . 1 . . . . . 39 LYS CB . 50168 1
170 . 1 . 1 39 39 LYS N N 15 118.227 1.116 . 1 . . . . . 39 LYS N . 50168 1
171 . 1 . 1 40 40 ASN H H 1 7.897 0.000 . 1 . . . . . 40 ASN H . 50168 1
172 . 1 . 1 40 40 ASN CA C 13 48.398 0.003 . 1 . . . . . 40 ASN CA . 50168 1
173 . 1 . 1 40 40 ASN CB C 13 37.620 0.000 . 1 . . . . . 40 ASN CB . 50168 1
174 . 1 . 1 40 40 ASN N N 15 116.805 0.000 . 1 . . . . . 40 ASN N . 50168 1
175 . 1 . 1 41 41 PRO C C 13 177.532 0.000 . 1 . . . . . 41 PRO C . 50168 1
176 . 1 . 1 42 42 ASN H H 1 8.210 0.017 . 1 . . . . . 42 ASN H . 50168 1
177 . 1 . 1 42 42 ASN C C 13 175.380 0.000 . 1 . . . . . 42 ASN C . 50168 1
178 . 1 . 1 42 42 ASN CA C 13 51.971 0.055 . 1 . . . . . 42 ASN CA . 50168 1
179 . 1 . 1 42 42 ASN CB C 13 37.107 0.000 . 1 . . . . . 42 ASN CB . 50168 1
180 . 1 . 1 42 42 ASN N N 15 116.177 0.978 . 1 . . . . . 42 ASN N . 50168 1
181 . 1 . 1 43 43 ALA H H 1 7.48 0.014 . 1 . . . . . 43 ALA H . 50168 1
182 . 1 . 1 43 43 ALA C C 13 177.613 0.000 . 1 . . . . . 43 ALA C . 50168 1
183 . 1 . 1 43 43 ALA CA C 13 50.668 0.004 . 1 . . . . . 43 ALA CA . 50168 1
184 . 1 . 1 43 43 ALA CB C 13 18.004 0.000 . 1 . . . . . 43 ALA CB . 50168 1
185 . 1 . 1 43 43 ALA N N 15 123.388 0.099 . 1 . . . . . 43 ALA N . 50168 1
186 . 1 . 1 44 44 GLY H H 1 8.183 0.021 . 1 . . . . . 44 GLY H . 50168 1
187 . 1 . 1 44 44 GLY C C 13 176.266 0.000 . 1 . . . . . 44 GLY C . 50168 1
188 . 1 . 1 44 44 GLY CA C 13 46.114 0.008 . 1 . . . . . 44 GLY CA . 50168 1
189 . 1 . 1 44 44 GLY N N 15 108.109 1.074 . 1 . . . . . 44 GLY N . 50168 1
190 . 1 . 1 45 45 ASP C C 13 178.304 0.000 . 1 . . . . . 45 ASP C . 50168 1
191 . 1 . 1 45 45 ASP CA C 13 54.874 0.000 . 1 . . . . . 45 ASP CA . 50168 1
192 . 1 . 1 45 45 ASP CB C 13 38.183 0.000 . 1 . . . . . 45 ASP CB . 50168 1
193 . 1 . 1 46 46 LYS H H 1 7.696 0.032 . 1 . . . . . 46 LYS H . 50168 1
194 . 1 . 1 46 46 LYS C C 13 178.895 0.000 . 1 . . . . . 46 LYS C . 50168 1
195 . 1 . 1 46 46 LYS CA C 13 56.951 0.034 . 1 . . . . . 46 LYS CA . 50168 1
196 . 1 . 1 46 46 LYS CB C 13 29.938 0.040 . 1 . . . . . 46 LYS CB . 50168 1
197 . 1 . 1 46 46 LYS N N 15 122.364 0.782 . 1 . . . . . 46 LYS N . 50168 1
198 . 1 . 1 47 47 PHE H H 1 8.714 0.022 . 1 . . . . . 47 PHE H . 50168 1
199 . 1 . 1 47 47 PHE C C 13 178.043 0.000 . 1 . . . . . 47 PHE C . 50168 1
200 . 1 . 1 47 47 PHE CA C 13 60.117 0.043 . 1 . . . . . 47 PHE CA . 50168 1
201 . 1 . 1 47 47 PHE CB C 13 36.838 0.000 . 1 . . . . . 47 PHE CB . 50168 1
202 . 1 . 1 47 47 PHE N N 15 119.356 1.064 . 1 . . . . . 47 PHE N . 50168 1
203 . 1 . 1 48 48 LYS H H 1 7.973 0.016 . 1 . . . . . 48 LYS H . 50168 1
204 . 1 . 1 48 48 LYS C C 13 179.102 0.000 . 1 . . . . . 48 LYS C . 50168 1
205 . 1 . 1 48 48 LYS CA C 13 58.448 0.000 . 1 . . . . . 48 LYS CA . 50168 1
206 . 1 . 1 48 48 LYS CB C 13 30.460 0.000 . 1 . . . . . 48 LYS CB . 50168 1
207 . 1 . 1 48 48 LYS N N 15 121.281 1.157 . 1 . . . . . 48 LYS N . 50168 1
208 . 1 . 1 49 49 GLU H H 1 7.479 0.019 . 1 . . . . . 49 GLU H . 50168 1
209 . 1 . 1 49 49 GLU C C 13 178.996 0.000 . 1 . . . . . 49 GLU C . 50168 1
210 . 1 . 1 49 49 GLU CA C 13 57.534 0.000 . 1 . . . . . 49 GLU CA . 50168 1
211 . 1 . 1 49 49 GLU CB C 13 28.140 0.000 . 1 . . . . . 49 GLU CB . 50168 1
212 . 1 . 1 49 49 GLU N N 15 120.324 0.054 . 1 . . . . . 49 GLU N . 50168 1
213 . 1 . 1 50 50 ILE H H 1 7.875 0.007 . 1 . . . . . 50 ILE H . 50168 1
214 . 1 . 1 50 50 ILE C C 13 177.290 0.000 . 1 . . . . . 50 ILE C . 50168 1
215 . 1 . 1 50 50 ILE CA C 13 63.568 0.000 . 1 . . . . . 50 ILE CA . 50168 1
216 . 1 . 1 50 50 ILE CB C 13 36.852 0.000 . 1 . . . . . 50 ILE CB . 50168 1
217 . 1 . 1 50 50 ILE N N 15 118.988 0.029 . 1 . . . . . 50 ILE N . 50168 1
218 . 1 . 1 51 51 SER H H 1 8.011 0.000 . 1 . . . . . 51 SER H . 50168 1
219 . 1 . 1 51 51 SER CA C 13 60.841 0.000 . 1 . . . . . 51 SER CA . 50168 1
220 . 1 . 1 51 51 SER N N 15 115.91 1.113 . 1 . . . . . 51 SER N . 50168 1
221 . 1 . 1 52 52 PHE H H 1 7.860 0.016 . 1 . . . . . 52 PHE H . 50168 1
222 . 1 . 1 52 52 PHE C C 13 175.908 0.000 . 1 . . . . . 52 PHE C . 50168 1
223 . 1 . 1 52 52 PHE CA C 13 59.319 0.030 . 1 . . . . . 52 PHE CA . 50168 1
224 . 1 . 1 52 52 PHE N N 15 123.754 1.250 . 1 . . . . . 52 PHE N . 50168 1
225 . 1 . 1 53 53 ALA H H 1 7.835 0.018 . 1 . . . . . 53 ALA H . 50168 1
226 . 1 . 1 53 53 ALA C C 13 178.542 0.000 . 1 . . . . . 53 ALA C . 50168 1
227 . 1 . 1 53 53 ALA CA C 13 53.598 0.000 . 1 . . . . . 53 ALA CA . 50168 1
228 . 1 . 1 53 53 ALA CB C 13 17.009 0.000 . 1 . . . . . 53 ALA CB . 50168 1
229 . 1 . 1 53 53 ALA N N 15 119.538 1.021 . 1 . . . . . 53 ALA N . 50168 1
230 . 1 . 1 54 54 TYR H H 1 8.059 0.025 . 1 . . . . . 54 TYR H . 50168 1
231 . 1 . 1 54 54 TYR C C 13 177.450 0.000 . 1 . . . . . 54 TYR C . 50168 1
232 . 1 . 1 54 54 TYR CA C 13 60.258 0.031 . 1 . . . . . 54 TYR CA . 50168 1
233 . 1 . 1 54 54 TYR CB C 13 37.483 0.000 . 1 . . . . . 54 TYR CB . 50168 1
234 . 1 . 1 54 54 TYR N N 15 115.274 0.970 . 1 . . . . . 54 TYR N . 50168 1
235 . 1 . 1 55 55 GLU H H 1 8.224 0.023 . 1 . . . . . 55 GLU H . 50168 1
236 . 1 . 1 55 55 GLU C C 13 177.946 0.000 . 1 . . . . . 55 GLU C . 50168 1
237 . 1 . 1 55 55 GLU CA C 13 57.940 0.000 . 1 . . . . . 55 GLU CA . 50168 1
238 . 1 . 1 55 55 GLU CB C 13 27.098 0.000 . 1 . . . . . 55 GLU CB . 50168 1
239 . 1 . 1 55 55 GLU N N 15 123.463 1.388 . 1 . . . . . 55 GLU N . 50168 1
240 . 1 . 1 56 56 VAL H H 1 7.172 0.025 . 1 . . . . . 56 VAL H . 50168 1
241 . 1 . 1 56 56 VAL C C 13 176.296 0.000 . 1 . . . . . 56 VAL C . 50168 1
242 . 1 . 1 56 56 VAL CA C 13 64.304 0.097 . 1 . . . . . 56 VAL CA . 50168 1
243 . 1 . 1 56 56 VAL CB C 13 30.250 0.000 . 1 . . . . . 56 VAL CB . 50168 1
244 . 1 . 1 56 56 VAL N N 15 116.947 1.039 . 1 . . . . . 56 VAL N . 50168 1
245 . 1 . 1 57 57 LEU H H 1 7.495 0.635 . 1 . . . . . 57 LEU H . 50168 1
246 . 1 . 1 57 57 LEU C C 13 177.134 0.000 . 1 . . . . . 57 LEU C . 50168 1
247 . 1 . 1 57 57 LEU CA C 13 55.064 0.057 . 1 . . . . . 57 LEU CA . 50168 1
248 . 1 . 1 57 57 LEU CB C 13 40.469 0.000 . 1 . . . . . 57 LEU CB . 50168 1
249 . 1 . 1 57 57 LEU N N 15 112.240 0.635 . 1 . . . . . 57 LEU N . 50168 1
250 . 1 . 1 58 58 SER H H 1 7.705 0.023 . 1 . . . . . 58 SER H . 50168 1
251 . 1 . 1 58 58 SER C C 13 172.956 0.000 . 1 . . . . . 58 SER C . 50168 1
252 . 1 . 1 58 58 SER CA C 13 57.372 0.049 . 1 . . . . . 58 SER CA . 50168 1
253 . 1 . 1 58 58 SER CB C 13 61.569 0.000 . 1 . . . . . 58 SER CB . 50168 1
254 . 1 . 1 58 58 SER N N 15 109.708 1.171 . 1 . . . . . 58 SER N . 50168 1
255 . 1 . 1 59 59 ASN H H 1 6.930 0.020 . 1 . . . . . 59 ASN H . 50168 1
256 . 1 . 1 59 59 ASN C C 13 172.661 0.000 . 1 . . . . . 59 ASN C . 50168 1
257 . 1 . 1 59 59 ASN CA C 13 48.120 0.014 . 1 . . . . . 59 ASN CA . 50168 1
258 . 1 . 1 59 59 ASN CB C 13 38.165 0.000 . 1 . . . . . 59 ASN CB . 50168 1
259 . 1 . 1 59 59 ASN N N 15 124.94 1.026 . 1 . . . . . 59 ASN N . 50168 1
260 . 1 . 1 60 60 PRO C C 13 179.015 0.000 . 1 . . . . . 60 PRO C . 50168 1
261 . 1 . 1 60 60 PRO CA C 13 64.039 0.000 . 1 . . . . . 60 PRO CA . 50168 1
262 . 1 . 1 60 60 PRO CB C 13 30.503 0.000 . 1 . . . . . 60 PRO CB . 50168 1
263 . 1 . 1 61 61 GLU H H 1 7.736 0.022 . 1 . . . . . 61 GLU H . 50168 1
264 . 1 . 1 61 61 GLU C C 13 179.293 0.000 . 1 . . . . . 61 GLU C . 50168 1
265 . 1 . 1 61 61 GLU CA C 13 57.910 0.005 . 1 . . . . . 61 GLU CA . 50168 1
266 . 1 . 1 61 61 GLU CB C 13 28.115 0.000 . 1 . . . . . 61 GLU CB . 50168 1
267 . 1 . 1 61 61 GLU N N 15 117.330 0.855 . 1 . . . . . 61 GLU N . 50168 1
268 . 1 . 1 62 62 LYS H H 1 7.536 0.032 . 1 . . . . . 62 LYS H . 50168 1
269 . 1 . 1 62 62 LYS C C 13 178.332 0.000 . 1 . . . . . 62 LYS C . 50168 1
270 . 1 . 1 62 62 LYS CA C 13 57.455 0.000 . 1 . . . . . 62 LYS CA . 50168 1
271 . 1 . 1 62 62 LYS CB C 13 31.044 0.000 . 1 . . . . . 62 LYS CB . 50168 1
272 . 1 . 1 62 62 LYS N N 15 120.548 1.015 . 1 . . . . . 62 LYS N . 50168 1
273 . 1 . 1 63 63 ARG H H 1 9.103 0.019 . 1 . . . . . 63 ARG H . 50168 1
274 . 1 . 1 63 63 ARG C C 13 177.466 0.000 . 1 . . . . . 63 ARG C . 50168 1
275 . 1 . 1 63 63 ARG CA C 13 58.759 0.045 . 1 . . . . . 63 ARG CA . 50168 1
276 . 1 . 1 63 63 ARG CB C 13 28.045 0.000 . 1 . . . . . 63 ARG CB . 50168 1
277 . 1 . 1 63 63 ARG N N 15 122.277 1.090 . 1 . . . . . 63 ARG N . 50168 1
278 . 1 . 1 64 64 GLU H H 1 7.483 0.000 . 1 . . . . . 64 GLU H . 50168 1
279 . 1 . 1 64 64 GLU C C 13 178.883 0.000 . 1 . . . . . 64 GLU C . 50168 1
280 . 1 . 1 64 64 GLU CA C 13 58.035 0.000 . 1 . . . . . 64 GLU CA . 50168 1
281 . 1 . 1 64 64 GLU CB C 13 27.680 0.000 . 1 . . . . . 64 GLU CB . 50168 1
282 . 1 . 1 64 64 GLU N N 15 117.543 0.000 . 1 . . . . . 64 GLU N . 50168 1
283 . 1 . 1 65 65 LEU H H 1 7.090 0.020 . 1 . . . . . 65 LEU H . 50168 1
284 . 1 . 1 65 65 LEU C C 13 179.172 0.000 . 1 . . . . . 65 LEU C . 50168 1
285 . 1 . 1 65 65 LEU CA C 13 56.314 0.000 . 1 . . . . . 65 LEU CA . 50168 1
286 . 1 . 1 65 65 LEU CB C 13 40.903 0.000 . 1 . . . . . 65 LEU CB . 50168 1
287 . 1 . 1 65 65 LEU N N 15 118.821 1.106 . 1 . . . . . 65 LEU N . 50168 1
288 . 1 . 1 66 66 TYR H H 1 8.615 0.023 . 1 . . . . . 66 TYR H . 50168 1
289 . 1 . 1 66 66 TYR C C 13 179.614 0.000 . 1 . . . . . 66 TYR C . 50168 1
290 . 1 . 1 66 66 TYR CA C 13 59.057 0.030 . 1 . . . . . 66 TYR CA . 50168 1
291 . 1 . 1 66 66 TYR CB C 13 36.857 0.000 . 1 . . . . . 66 TYR CB . 50168 1
292 . 1 . 1 66 66 TYR N N 15 121.389 1.167 . 1 . . . . . 66 TYR N . 50168 1
293 . 1 . 1 67 67 ASP H H 1 9.417 0.020 . 1 . . . . . 67 ASP H . 50168 1
294 . 1 . 1 67 67 ASP C C 13 178.185 0.000 . 1 . . . . . 67 ASP C . 50168 1
295 . 1 . 1 67 67 ASP CA C 13 55.432 0.029 . 1 . . . . . 67 ASP CA . 50168 1
296 . 1 . 1 67 67 ASP CB C 13 38.369 0.000 . 1 . . . . . 67 ASP CB . 50168 1
297 . 1 . 1 67 67 ASP N N 15 125.172 1.172 . 1 . . . . . 67 ASP N . 50168 1
298 . 1 . 1 68 68 ARG H H 1 7.453 0.021 . 1 . . . . . 68 ARG H . 50168 1
299 . 1 . 1 68 68 ARG C C 13 178.065 0.000 . 1 . . . . . 68 ARG C . 50168 1
300 . 1 . 1 68 68 ARG CA C 13 56.699 0.037 . 1 . . . . . 68 ARG CA . 50168 1
301 . 1 . 1 68 68 ARG CB C 13 29.609 0.000 . 1 . . . . . 68 ARG CB . 50168 1
302 . 1 . 1 68 68 ARG N N 15 116.544 0.829 . 1 . . . . . 68 ARG N . 50168 1
303 . 1 . 1 69 69 TYR H H 1 8.139 0.022 . 1 . . . . . 69 TYR H . 50168 1
304 . 1 . 1 69 69 TYR C C 13 176.805 0.000 . 1 . . . . . 69 TYR C . 50168 1
305 . 1 . 1 69 69 TYR CA C 13 55.710 0.040 . 1 . . . . . 69 TYR CA . 50168 1
306 . 1 . 1 69 69 TYR CB C 13 38.902 0.000 . 1 . . . . . 69 TYR CB . 50168 1
307 . 1 . 1 69 69 TYR N N 15 114.678 0.940 . 1 . . . . . 69 TYR N . 50168 1
308 . 1 . 1 70 70 GLY H H 1 8.729 0.020 . 1 . . . . . 70 GLY H . 50168 1
309 . 1 . 1 70 70 GLY C C 13 175.104 0.000 . 1 . . . . . 70 GLY C . 50168 1
310 . 1 . 1 70 70 GLY CA C 13 43.171 0.014 . 1 . . . . . 70 GLY CA . 50168 1
311 . 1 . 1 70 70 GLY N N 15 112.84 1.093 . 1 . . . . . 70 GLY N . 50168 1
312 . 1 . 1 71 71 GLU H H 1 9.290 0.025 . 1 . . . . . 71 GLU H . 50168 1
313 . 1 . 1 71 71 GLU C C 13 178.924 0.000 . 1 . . . . . 71 GLU C . 50168 1
314 . 1 . 1 71 71 GLU CA C 13 58.495 0.051 . 1 . . . . . 71 GLU CA . 50168 1
315 . 1 . 1 71 71 GLU CB C 13 28.302 0.000 . 1 . . . . . 71 GLU CB . 50168 1
316 . 1 . 1 71 71 GLU N N 15 123.129 1.163 . 1 . . . . . 71 GLU N . 50168 1
317 . 1 . 1 72 72 GLN H H 1 8.534 0.021 . 1 . . . . . 72 GLN H . 50168 1
318 . 1 . 1 72 72 GLN C C 13 177.618 0.000 . 1 . . . . . 72 GLN C . 50168 1
319 . 1 . 1 72 72 GLN CA C 13 56.539 0.029 . 1 . . . . . 72 GLN CA . 50168 1
320 . 1 . 1 72 72 GLN CB C 13 26.434 0.000 . 1 . . . . . 72 GLN CB . 50168 1
321 . 1 . 1 72 72 GLN N N 15 118.62 1.054 . 1 . . . . . 72 GLN N . 50168 1
322 . 1 . 1 73 73 GLY H H 1 7.935 0.002 . 1 . . . . . 73 GLY H . 50168 1
323 . 1 . 1 73 73 GLY C C 13 173.661 0.000 . 1 . . . . . 73 GLY C . 50168 1
324 . 1 . 1 73 73 GLY CA C 13 44.128 0.024 . 1 . . . . . 73 GLY CA . 50168 1
325 . 1 . 1 73 73 GLY N N 15 106.634 0.030 . 1 . . . . . 73 GLY N . 50168 1
326 . 1 . 1 74 74 LEU H H 1 7.420 0.001 . 1 . . . . . 74 LEU H . 50168 1
327 . 1 . 1 74 74 LEU C C 13 177.072 0.000 . 1 . . . . . 74 LEU C . 50168 1
328 . 1 . 1 74 74 LEU CA C 13 53.122 0.060 . 1 . . . . . 74 LEU CA . 50168 1
329 . 1 . 1 74 74 LEU CB C 13 40.285 0.000 . 1 . . . . . 74 LEU CB . 50168 1
330 . 1 . 1 74 74 LEU N N 15 118.660 0.188 . 1 . . . . . 74 LEU N . 50168 1
331 . 1 . 1 75 75 ARG H H 1 7.532 0.027 . 1 . . . . . 75 ARG H . 50168 1
332 . 1 . 1 75 75 ARG C C 13 176.041 0.000 . 1 . . . . . 75 ARG C . 50168 1
333 . 1 . 1 75 75 ARG CA C 13 54.583 0.000 . 1 . . . . . 75 ARG CA . 50168 1
334 . 1 . 1 75 75 ARG CB C 13 29.303 0.000 . 1 . . . . . 75 ARG CB . 50168 1
335 . 1 . 1 75 75 ARG N N 15 119.935 0.695 . 1 . . . . . 75 ARG N . 50168 1
336 . 1 . 1 76 76 GLU H H 1 8.226 0.018 . 1 . . . . . 76 GLU H . 50168 1
337 . 1 . 1 76 76 GLU C C 13 175.848 0.000 . 1 . . . . . 76 GLU C . 50168 1
338 . 1 . 1 76 76 GLU N N 15 122.545 0.677 . 1 . . . . . 76 GLU N . 50168 1
339 . 1 . 1 77 77 GLY H H 1 7.873 0.018 . 1 . . . . . 77 GLY H . 50168 1
340 . 1 . 1 77 77 GLY C C 13 178.897 0.000 . 1 . . . . . 77 GLY C . 50168 1
341 . 1 . 1 77 77 GLY CA C 13 44.543 0.000 . 1 . . . . . 77 GLY CA . 50168 1
342 . 1 . 1 77 77 GLY N N 15 116.638 0.635 . 1 . . . . . 77 GLY N . 50168 1
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