Content for NMR-STAR saveframe, assigned_chemical_shifts_2
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52693
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name Helix_KFL_Pyk2
_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
6 '2D 1H-15N HSQC' . . . 52693 2
7 '3D HNCO' . . . 52693 2
8 '3D HN(CA)CO' . . . 52693 2
9 '3D HNCACB' . . . 52693 2
10 '3D HN(CO)CACB' . . . 52693 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 52693 2
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 . 2 . 2 3 3 ARG C C 13 177.208 . . 1 . . 192 . . 3 ARG C . 52693 2
2 . 2 . 2 3 3 ARG CA C 13 57.277 . . 1 . . 193 . . 3 ARG CA . 52693 2
3 . 2 . 2 3 3 ARG CB C 13 30.514 . . 1 . . 194 . . 3 ARG CB . 52693 2
4 . 2 . 2 4 4 GLU H H 1 8.495 0.002 . 1 . . 63 . . 4 GLU H . 52693 2
5 . 2 . 2 4 4 GLU HA H 1 4.187 . . 1 . . 191 . . 4 GLU HA . 52693 2
6 . 2 . 2 4 4 GLU C C 13 177.656 0.002 . 1 . . 159 . . 4 GLU C . 52693 2
7 . 2 . 2 4 4 GLU CA C 13 57.996 0.021 . 1 . . 157 . . 4 GLU CA . 52693 2
8 . 2 . 2 4 4 GLU CB C 13 29.832 0.03 . 1 . . 158 . . 4 GLU CB . 52693 2
9 . 2 . 2 4 4 GLU N N 15 121.198 0.066 . 1 . . 64 . . 4 GLU N . 52693 2
10 . 2 . 2 5 5 GLU H H 1 8.344 0.003 . 1 . . 39 . . 5 GLU H . 52693 2
11 . 2 . 2 5 5 GLU HA H 1 4.171 0.006 . 1 . . 190 . . 5 GLU HA . 52693 2
12 . 2 . 2 5 5 GLU C C 13 177.480 . . 1 . . 132 . . 5 GLU C . 52693 2
13 . 2 . 2 5 5 GLU CA C 13 57.822 0.066 . 1 . . 188 . . 5 GLU CA . 52693 2
14 . 2 . 2 5 5 GLU CB C 13 30.087 0.044 . 1 . . 189 . . 5 GLU CB . 52693 2
15 . 2 . 2 5 5 GLU N N 15 121.424 0.006 . 1 . . 40 . . 5 GLU N . 52693 2
16 . 2 . 2 6 6 ALA H H 1 8.255 0.003 . 1 . . 53 . . 6 ALA H . 52693 2
17 . 2 . 2 6 6 ALA HA H 1 4.211 0.003 . 1 . . 166 . . 6 ALA HA . 52693 2
18 . 2 . 2 6 6 ALA C C 13 179.039 0.016 . 1 . . 195 . . 6 ALA C . 52693 2
19 . 2 . 2 6 6 ALA CA C 13 53.839 0.034 . 1 . . 148 . . 6 ALA CA . 52693 2
20 . 2 . 2 6 6 ALA CB C 13 18.626 0.01 . 1 . . 149 . . 6 ALA CB . 52693 2
21 . 2 . 2 6 6 ALA N N 15 123.416 0.033 . 1 . . 54 . . 6 ALA N . 52693 2
22 . 2 . 2 7 7 GLN H H 1 8.219 0.002 . 1 . . 45 . . 7 GLN H . 52693 2
23 . 2 . 2 7 7 GLN HA H 1 4.150 . . 1 . . 196 . . 7 GLN HA . 52693 2
24 . 2 . 2 7 7 GLN C C 13 177.186 0.001 . 1 . . 141 . . 7 GLN C . 52693 2
25 . 2 . 2 7 7 GLN CA C 13 57.324 0.035 . 1 . . 139 . . 7 GLN CA . 52693 2
26 . 2 . 2 7 7 GLN CB C 13 28.901 0.028 . 1 . . 140 . . 7 GLN CB . 52693 2
27 . 2 . 2 7 7 GLN N N 15 118.943 0.004 . 1 . . 46 . . 7 GLN N . 52693 2
28 . 2 . 2 8 8 GLN H H 1 8.230 0.005 . 1 . . 21 . . 8 GLN H . 52693 2
29 . 2 . 2 8 8 GLN HA H 1 4.177 . . 1 . . 197 . . 8 GLN HA . 52693 2
30 . 2 . 2 8 8 GLN C C 13 177.668 0.001 . 1 . . 198 . . 8 GLN C . 52693 2
31 . 2 . 2 8 8 GLN CA C 13 57.395 0.083 . 1 . . 115 . . 8 GLN CA . 52693 2
32 . 2 . 2 8 8 GLN CB C 13 28.844 0.018 . 1 . . 116 . . 8 GLN CB . 52693 2
33 . 2 . 2 8 8 GLN N N 15 120.184 0.019 . 1 . . 22 . . 8 GLN N . 52693 2
34 . 2 . 2 9 9 LEU H H 1 8.158 0.003 . 1 . . 25 . . 9 LEU H . 52693 2
35 . 2 . 2 9 9 LEU HA H 1 4.239 0.019 . 1 . . 120 . . 9 LEU HA . 52693 2
36 . 2 . 2 9 9 LEU C C 13 178.358 0.0 . 1 . . 119 . . 9 LEU C . 52693 2
37 . 2 . 2 9 9 LEU CA C 13 56.583 0.008 . 1 . . 118 . . 9 LEU CA . 52693 2
38 . 2 . 2 9 9 LEU CB C 13 40.932 0.014 . 1 . . 117 . . 9 LEU CB . 52693 2
39 . 2 . 2 9 9 LEU N N 15 122.149 0.015 . 1 . . 26 . . 9 LEU N . 52693 2
40 . 2 . 2 10 10 TRP H H 1 8.085 0.002 . 1 . . 29 . . 10 TRP H . 52693 2
41 . 2 . 2 10 10 TRP HA H 1 4.611 . . 1 . . 199 . . 10 TRP HA . 52693 2
42 . 2 . 2 10 10 TRP C C 13 177.611 0.006 . 1 . . 200 . . 10 TRP C . 52693 2
43 . 2 . 2 10 10 TRP CA C 13 58.675 0.027 . 1 . . 121 . . 10 TRP CA . 52693 2
44 . 2 . 2 10 10 TRP CB C 13 29.276 0.011 . 1 . . 122 . . 10 TRP CB . 52693 2
45 . 2 . 2 10 10 TRP N N 15 121.054 0.034 . 1 . . 30 . . 10 TRP N . 52693 2
46 . 2 . 2 11 11 GLU H H 1 8.259 0.004 . 1 . . 59 . . 11 GLU H . 52693 2
47 . 2 . 2 11 11 GLU HA H 1 3.978 . . 1 . . 201 . . 11 GLU HA . 52693 2
48 . 2 . 2 11 11 GLU C C 13 177.754 0.026 . 1 . . 156 . . 11 GLU C . 52693 2
49 . 2 . 2 11 11 GLU CA C 13 58.105 0.039 . 1 . . 154 . . 11 GLU CA . 52693 2
50 . 2 . 2 11 11 GLU CB C 13 29.708 0.016 . 1 . . 155 . . 11 GLU CB . 52693 2
51 . 2 . 2 11 11 GLU N N 15 120.469 0.027 . 1 . . 60 . . 11 GLU N . 52693 2
52 . 2 . 2 12 12 ALA H H 1 8.042 0.004 . 1 . . 11 . . 12 ALA H . 52693 2
53 . 2 . 2 12 12 ALA HA H 1 4.129 . . 1 . . 102 . . 12 ALA HA . 52693 2
54 . 2 . 2 12 12 ALA C C 13 179.756 0.005 . 1 . . 98 . . 12 ALA C . 52693 2
55 . 2 . 2 12 12 ALA CA C 13 54.269 0.025 . 1 . . 96 . . 12 ALA CA . 52693 2
56 . 2 . 2 12 12 ALA CB C 13 18.564 0.043 . 1 . . 97 . . 12 ALA CB . 52693 2
57 . 2 . 2 12 12 ALA N N 15 122.482 0.046 . 1 . . 12 . . 12 ALA N . 52693 2
58 . 2 . 2 13 13 GLU H H 1 8.213 0.004 . 1 . . 71 . . 13 GLU H . 52693 2
59 . 2 . 2 13 13 GLU HA H 1 4.101 . . 1 . . 167 . . 13 GLU HA . 52693 2
60 . 2 . 2 13 13 GLU C C 13 178.037 0.005 . 1 . . 101 . . 13 GLU C . 52693 2
61 . 2 . 2 13 13 GLU CA C 13 58.146 0.052 . 1 . . 99 . . 13 GLU CA . 52693 2
62 . 2 . 2 13 13 GLU CB C 13 29.695 0.013 . 1 . . 100 . . 13 GLU CB . 52693 2
63 . 2 . 2 13 13 GLU N N 15 119.205 0.032 . 1 . . 72 . . 13 GLU N . 52693 2
64 . 2 . 2 14 14 LYS H H 1 7.953 0.005 . 1 . . 33 . . 14 LYS H . 52693 2
65 . 2 . 2 14 14 LYS HA H 1 4.000 . . 1 . . 202 . . 14 LYS HA . 52693 2
66 . 2 . 2 14 14 LYS C C 13 178.467 0.01 . 1 . . 125 . . 14 LYS C . 52693 2
67 . 2 . 2 14 14 LYS CA C 13 58.446 0.059 . 1 . . 123 . . 14 LYS CA . 52693 2
68 . 2 . 2 14 14 LYS CB C 13 32.167 0.084 . 1 . . 124 . . 14 LYS CB . 52693 2
69 . 2 . 2 14 14 LYS N N 15 120.507 0.018 . 1 . . 34 . . 14 LYS N . 52693 2
70 . 2 . 2 15 15 VAL H H 1 7.803 0.004 . 1 . . 41 . . 15 VAL H . 52693 2
71 . 2 . 2 15 15 VAL HA H 1 3.788 . . 1 . . 203 . . 15 VAL HA . 52693 2
72 . 2 . 2 15 15 VAL C C 13 177.547 . . 1 . . 135 . . 15 VAL C . 52693 2
73 . 2 . 2 15 15 VAL CA C 13 64.810 0.034 . 1 . . 133 . . 15 VAL CA . 52693 2
74 . 2 . 2 15 15 VAL CB C 13 32.293 0.003 . 1 . . 134 . . 15 VAL CB . 52693 2
75 . 2 . 2 15 15 VAL N N 15 119.513 0.006 . 1 . . 42 . . 15 VAL N . 52693 2
76 . 2 . 2 16 16 LYS H H 1 7.898 0.008 . 1 . . 69 . . 16 LYS H . 52693 2
77 . 2 . 2 16 16 LYS HA H 1 4.150 . . 1 . . 204 . . 16 LYS HA . 52693 2
78 . 2 . 2 16 16 LYS C C 13 178.042 . . 1 . . 165 . . 16 LYS C . 52693 2
79 . 2 . 2 16 16 LYS CA C 13 58.206 0.021 . 1 . . 163 . . 16 LYS CA . 52693 2
80 . 2 . 2 16 16 LYS CB C 13 32.536 . . 1 . . 164 . . 16 LYS CB . 52693 2
81 . 2 . 2 16 16 LYS N N 15 121.930 0.029 . 1 . . 70 . . 16 LYS N . 52693 2
82 . 2 . 2 17 17 MET H H 1 8.167 0.002 . 1 . . 9 . . 17 MET H . 52693 2
83 . 2 . 2 17 17 MET HA H 1 4.330 . . 1 . . 205 . . 17 MET HA . 52693 2
84 . 2 . 2 17 17 MET C C 13 177.346 0.013 . 1 . . 95 . . 17 MET C . 52693 2
85 . 2 . 2 17 17 MET CA C 13 56.689 0.005 . 1 . . 93 . . 17 MET CA . 52693 2
86 . 2 . 2 17 17 MET CB C 13 32.562 . . 1 . . 94 . . 17 MET CB . 52693 2
87 . 2 . 2 17 17 MET N N 15 118.734 0.036 . 1 . . 10 . . 17 MET N . 52693 2
88 . 2 . 2 18 18 ARG H H 1 8.058 0.003 . 1 . . 61 . . 18 ARG H . 52693 2
89 . 2 . 2 18 18 ARG CA C 13 57.662 . . 1 . . 223 . . 18 ARG CA . 52693 2
90 . 2 . 2 18 18 ARG CB C 13 32.362 . . 1 . . 224 . . 18 ARG CB . 52693 2
91 . 2 . 2 18 18 ARG N N 15 120.758 0.009 . 1 . . 62 . . 18 ARG N . 52693 2
92 . 2 . 2 19 19 GLN H H 1 8.156 0.004 . 1 . . 209 . . 19 GLN H . 52693 2
93 . 2 . 2 19 19 GLN HA H 1 4.250 0.008 . 1 . . 212 . . 19 GLN HA . 52693 2
94 . 2 . 2 19 19 GLN C C 13 177.191 . . 1 . . 214 . . 19 GLN C . 52693 2
95 . 2 . 2 19 19 GLN CA C 13 57.258 0.035 . 1 . . 213 . . 19 GLN CA . 52693 2
96 . 2 . 2 19 19 GLN CB C 13 29.020 0.002 . 1 . . 211 . . 19 GLN CB . 52693 2
97 . 2 . 2 19 19 GLN N N 15 119.731 0.002 . 1 . . 210 . . 19 GLN N . 52693 2
98 . 2 . 2 20 20 ILE H H 1 8.017 0.004 . 1 . . 49 . . 20 ILE H . 52693 2
99 . 2 . 2 20 20 ILE HA H 1 3.976 0.003 . 1 . . 215 . . 20 ILE HA . 52693 2
100 . 2 . 2 20 20 ILE C C 13 177.226 0.001 . 1 . . 147 . . 20 ILE C . 52693 2
101 . 2 . 2 20 20 ILE CA C 13 62.622 0.04 . 1 . . 146 . . 20 ILE CA . 52693 2
102 . 2 . 2 20 20 ILE CB C 13 38.297 0.034 . 1 . . 145 . . 20 ILE CB . 52693 2
103 . 2 . 2 20 20 ILE N N 15 121.336 0.016 . 1 . . 50 . . 20 ILE N . 52693 2
104 . 2 . 2 21 21 LEU H H 1 8.172 0.004 . 1 . . 35 . . 21 LEU H . 52693 2
105 . 2 . 2 21 21 LEU C C 13 178.094 . . 1 . . 128 . . 21 LEU C . 52693 2
106 . 2 . 2 21 21 LEU CA C 13 56.103 0.013 . 1 . . 126 . . 21 LEU CA . 52693 2
107 . 2 . 2 21 21 LEU CB C 13 41.252 0.003 . 1 . . 127 . . 21 LEU CB . 52693 2
108 . 2 . 2 21 21 LEU N N 15 123.991 0.02 . 1 . . 36 . . 21 LEU N . 52693 2
109 . 2 . 2 22 22 ASP H H 1 8.326 0.005 . 1 . . 65 . . 22 ASP H . 52693 2
110 . 2 . 2 22 22 ASP HA H 1 4.522 . . 1 . . 216 . . 22 ASP HA . 52693 2
111 . 2 . 2 22 22 ASP C C 13 177.227 0.007 . 1 . . 162 . . 22 ASP C . 52693 2
112 . 2 . 2 22 22 ASP CA C 13 55.339 0.023 . 1 . . 160 . . 22 ASP CA . 52693 2
113 . 2 . 2 22 22 ASP CB C 13 41.152 . . 1 . . 161 . . 22 ASP CB . 52693 2
114 . 2 . 2 22 22 ASP N N 15 120.617 0.013 . 1 . . 66 . . 22 ASP N . 52693 2
115 . 2 . 2 23 23 LYS H H 1 8.073 0.003 . 1 . . 206 . . 23 LYS H . 52693 2
116 . 2 . 2 23 23 LYS HA H 1 4.195 0.004 . 1 . . 219 . . 23 LYS HA . 52693 2
117 . 2 . 2 23 23 LYS C C 13 177.514 0.016 . 1 . . 208 . . 23 LYS C . 52693 2
118 . 2 . 2 23 23 LYS CA C 13 57.575 0.048 . 1 . . 217 . . 23 LYS CA . 52693 2
119 . 2 . 2 23 23 LYS CB C 13 32.307 0.007 . 1 . . 218 . . 23 LYS CB . 52693 2
120 . 2 . 2 23 23 LYS N N 15 120.500 0.005 . 1 . . 207 . . 23 LYS N . 52693 2
121 . 2 . 2 24 24 GLN H H 1 8.235 0.004 . 1 . . 51 . . 24 GLN H . 52693 2
122 . 2 . 2 24 24 GLN C C 13 176.818 . . 1 . . 173 . . 24 GLN C . 52693 2
123 . 2 . 2 24 24 GLN CA C 13 56.838 0.004 . 1 . . 174 . . 24 GLN CA . 52693 2
124 . 2 . 2 24 24 GLN CB C 13 28.977 . . 1 . . 175 . . 24 GLN CB . 52693 2
125 . 2 . 2 24 24 GLN N N 15 119.520 0.016 . 1 . . 52 . . 24 GLN N . 52693 2
126 . 2 . 2 28 28 MET H H 1 8.338 0.001 . 1 . . 31 . . 28 MET H . 52693 2
127 . 2 . 2 28 28 MET C C 13 176.406 . . 1 . . 221 . . 28 MET C . 52693 2
128 . 2 . 2 28 28 MET CA C 13 55.881 0.017 . 1 . . 222 . . 28 MET CA . 52693 2
129 . 2 . 2 28 28 MET CB C 13 32.867 . . 1 . . 220 . . 28 MET CB . 52693 2
130 . 2 . 2 28 28 MET N N 15 121.356 0.008 . 1 . . 32 . . 28 MET N . 52693 2
131 . 2 . 2 29 29 VAL H H 1 8.064 0.005 . 1 . . 55 . . 29 VAL H . 52693 2
132 . 2 . 2 29 29 VAL HA H 1 4.064 0.004 . 1 . . 176 . . 29 VAL HA . 52693 2
133 . 2 . 2 29 29 VAL C C 13 176.409 0.018 . 1 . . 172 . . 29 VAL C . 52693 2
134 . 2 . 2 29 29 VAL CA C 13 62.734 0.025 . 1 . . 150 . . 29 VAL CA . 52693 2
135 . 2 . 2 29 29 VAL CB C 13 32.736 0.069 . 1 . . 151 . . 29 VAL CB . 52693 2
136 . 2 . 2 29 29 VAL N N 15 120.556 0.006 . 1 . . 56 . . 29 VAL N . 52693 2
137 . 2 . 2 30 30 GLU H H 1 8.437 0.003 . 1 . . 13 . . 30 GLU H . 52693 2
138 . 2 . 2 30 30 GLU HA H 1 4.193 0.006 . 1 . . 187 . . 30 GLU HA . 52693 2
139 . 2 . 2 30 30 GLU C C 13 176.288 0.003 . 1 . . 105 . . 30 GLU C . 52693 2
140 . 2 . 2 30 30 GLU CA C 13 57.057 0.04 . 1 . . 103 . . 30 GLU CA . 52693 2
141 . 2 . 2 30 30 GLU CB C 13 30.322 0.04 . 1 . . 104 . . 30 GLU CB . 52693 2
142 . 2 . 2 30 30 GLU N N 15 123.731 0.003 . 1 . . 14 . . 30 GLU N . 52693 2
143 . 2 . 2 31 31 ASP H H 1 8.275 0.003 . 1 . . 37 . . 31 ASP H . 52693 2
144 . 2 . 2 31 31 ASP HA H 1 4.523 0.001 . 1 . . 186 . . 31 ASP HA . 52693 2
145 . 2 . 2 31 31 ASP C C 13 176.323 0.005 . 1 . . 131 . . 31 ASP C . 52693 2
146 . 2 . 2 31 31 ASP CA C 13 54.522 0.018 . 1 . . 129 . . 31 ASP CA . 52693 2
147 . 2 . 2 31 31 ASP CB C 13 41.191 0.066 . 1 . . 130 . . 31 ASP CB . 52693 2
148 . 2 . 2 31 31 ASP N N 15 120.917 0.013 . 1 . . 38 . . 31 ASP N . 52693 2
149 . 2 . 2 32 32 TYR H H 1 8.042 0.003 . 1 . . 57 . . 32 TYR H . 52693 2
150 . 2 . 2 32 32 TYR HA H 1 4.299 0.0 . 1 . . 185 . . 32 TYR HA . 52693 2
151 . 2 . 2 32 32 TYR C C 13 176.364 0.005 . 1 . . 171 . . 32 TYR C . 52693 2
152 . 2 . 2 32 32 TYR CA C 13 58.421 0.041 . 1 . . 152 . . 32 TYR CA . 52693 2
153 . 2 . 2 32 32 TYR CB C 13 38.108 0.035 . 1 . . 153 . . 32 TYR CB . 52693 2
154 . 2 . 2 32 32 TYR N N 15 120.344 0.006 . 1 . . 58 . . 32 TYR N . 52693 2
155 . 2 . 2 33 33 GLN H H 1 8.178 0.005 . 1 . . 1 . . 33 GLN H . 52693 2
156 . 2 . 2 33 33 GLN HA H 1 4.090 0.003 . 1 . . 184 . . 33 GLN HA . 52693 2
157 . 2 . 2 33 33 GLN C C 13 176.019 0.008 . 1 . . 85 . . 33 GLN C . 52693 2
158 . 2 . 2 33 33 GLN CA C 13 56.810 0.027 . 1 . . 83 . . 33 GLN CA . 52693 2
159 . 2 . 2 33 33 GLN CB C 13 28.881 0.02 . 1 . . 84 . . 33 GLN CB . 52693 2
160 . 2 . 2 33 33 GLN N N 15 121.206 0.03 . 1 . . 2 . . 33 GLN N . 52693 2
161 . 2 . 2 34 34 TRP H H 1 7.808 0.003 . 1 . . 43 . . 34 TRP H . 52693 2
162 . 2 . 2 34 34 TRP HA H 1 4.583 0.001 . 1 . . 183 . . 34 TRP HA . 52693 2
163 . 2 . 2 34 34 TRP C C 13 176.340 0.006 . 1 . . 136 . . 34 TRP C . 52693 2
164 . 2 . 2 34 34 TRP CA C 13 57.565 0.022 . 1 . . 138 . . 34 TRP CA . 52693 2
165 . 2 . 2 34 34 TRP CB C 13 29.063 0.072 . 1 . . 137 . . 34 TRP CB . 52693 2
166 . 2 . 2 34 34 TRP N N 15 120.378 0.013 . 1 . . 44 . . 34 TRP N . 52693 2
167 . 2 . 2 35 35 LEU H H 1 7.800 0.003 . 1 . . 19 . . 35 LEU H . 52693 2
168 . 2 . 2 35 35 LEU HA H 1 4.209 0.019 . 1 . . 181 . . 35 LEU HA . 52693 2
169 . 2 . 2 35 35 LEU C C 13 177.227 . . 1 . . 114 . . 35 LEU C . 52693 2
170 . 2 . 2 35 35 LEU CA C 13 55.329 0.043 . 1 . . 113 . . 35 LEU CA . 52693 2
171 . 2 . 2 35 35 LEU CB C 13 41.443 0.007 . 1 . . 112 . . 35 LEU CB . 52693 2
172 . 2 . 2 35 35 LEU N N 15 122.539 0.005 . 1 . . 20 . . 35 LEU N . 52693 2
173 . 2 . 2 36 36 ARG H H 1 8.073 0.004 . 1 . . 15 . . 36 ARG H . 52693 2
174 . 2 . 2 36 36 ARG HA H 1 4.228 0.001 . 1 . . 182 . . 36 ARG HA . 52693 2
175 . 2 . 2 36 36 ARG C C 13 176.447 0.015 . 1 . . 108 . . 36 ARG C . 52693 2
176 . 2 . 2 36 36 ARG CA C 13 56.129 0.039 . 1 . . 106 . . 36 ARG CA . 52693 2
177 . 2 . 2 36 36 ARG CB C 13 30.287 0.0 . 1 . . 107 . . 36 ARG CB . 52693 2
178 . 2 . 2 36 36 ARG N N 15 121.234 0.014 . 1 . . 16 . . 36 ARG N . 52693 2
179 . 2 . 2 37 37 GLN H H 1 8.360 0.005 . 1 . . 17 . . 37 GLN H . 52693 2
180 . 2 . 2 37 37 GLN HA H 1 4.278 0.005 . 1 . . 180 . . 37 GLN HA . 52693 2
181 . 2 . 2 37 37 GLN C C 13 176.103 0.006 . 1 . . 111 . . 37 GLN C . 52693 2
182 . 2 . 2 37 37 GLN CA C 13 56.109 0.046 . 1 . . 109 . . 37 GLN CA . 52693 2
183 . 2 . 2 37 37 GLN CB C 13 29.419 0.02 . 1 . . 110 . . 37 GLN CB . 52693 2
184 . 2 . 2 37 37 GLN N N 15 121.661 0.007 . 1 . . 18 . . 37 GLN N . 52693 2
185 . 2 . 2 38 38 GLU H H 1 8.521 0.004 . 1 . . 5 . . 38 GLU H . 52693 2
186 . 2 . 2 38 38 GLU HA H 1 4.255 0.013 . 1 . . 179 . . 38 GLU HA . 52693 2
187 . 2 . 2 38 38 GLU C C 13 176.541 0.006 . 1 . . 88 . . 38 GLU C . 52693 2
188 . 2 . 2 38 38 GLU CA C 13 56.717 0.044 . 1 . . 86 . . 38 GLU CA . 52693 2
189 . 2 . 2 38 38 GLU CB C 13 30.286 0.055 . 1 . . 87 . . 38 GLU CB . 52693 2
190 . 2 . 2 38 38 GLU N N 15 121.973 0.01 . 1 . . 6 . . 38 GLU N . 52693 2
191 . 2 . 2 39 39 GLU H H 1 8.433 0.003 . 1 . . 47 . . 39 GLU H . 52693 2
192 . 2 . 2 39 39 GLU HA H 1 4.271 0.014 . 1 . . 178 . . 39 GLU HA . 52693 2
193 . 2 . 2 39 39 GLU C C 13 176.361 0.009 . 1 . . 144 . . 39 GLU C . 52693 2
194 . 2 . 2 39 39 GLU CA C 13 56.567 0.055 . 1 . . 143 . . 39 GLU CA . 52693 2
195 . 2 . 2 39 39 GLU CB C 13 30.358 0.085 . 1 . . 142 . . 39 GLU CB . 52693 2
196 . 2 . 2 39 39 GLU N N 15 122.322 0.025 . 1 . . 48 . . 39 GLU N . 52693 2
197 . 2 . 2 40 40 LYS H H 1 8.320 0.004 . 1 . . 7 . . 40 LYS H . 52693 2
198 . 2 . 2 40 40 LYS HA H 1 4.349 0.002 . 1 . . 92 . . 40 LYS HA . 52693 2
199 . 2 . 2 40 40 LYS C C 13 176.405 0.005 . 1 . . 91 . . 40 LYS C . 52693 2
200 . 2 . 2 40 40 LYS CA C 13 56.129 0.031 . 1 . . 90 . . 40 LYS CA . 52693 2
201 . 2 . 2 40 40 LYS CB C 13 33.243 0.023 . 1 . . 89 . . 40 LYS CB . 52693 2
202 . 2 . 2 40 40 LYS N N 15 122.754 0.016 . 1 . . 8 . . 40 LYS N . 52693 2
203 . 2 . 2 41 41 SER H H 1 8.425 0.005 . 1 . . 3 . . 41 SER H . 52693 2
204 . 2 . 2 41 41 SER HA H 1 4.444 0.001 . 1 . . 177 . . 41 SER HA . 52693 2
205 . 2 . 2 41 41 SER C C 13 174.558 0.018 . 1 . . 170 . . 41 SER C . 52693 2
206 . 2 . 2 41 41 SER CA C 13 58.232 0.032 . 1 . . 168 . . 41 SER CA . 52693 2
207 . 2 . 2 41 41 SER CB C 13 63.820 0.048 . 1 . . 169 . . 41 SER CB . 52693 2
208 . 2 . 2 41 41 SER N N 15 117.799 0.024 . 1 . . 4 . . 41 SER N . 52693 2
209 . 2 . 2 42 42 LEU H H 1 8.450 0.007 . 1 . . 73 . . 42 LEU H . 52693 2
210 . 2 . 2 42 42 LEU HA H 1 4.401 0.005 . 1 . . 82 . . 42 LEU HA . 52693 2
211 . 2 . 2 42 42 LEU C C 13 176.412 0.011 . 1 . . 77 . . 42 LEU C . 52693 2
212 . 2 . 2 42 42 LEU CA C 13 55.051 0.019 . 1 . . 80 . . 42 LEU CA . 52693 2
213 . 2 . 2 42 42 LEU CB C 13 41.385 . . 1 . . 81 . . 42 LEU CB . 52693 2
214 . 2 . 2 42 42 LEU N N 15 125.068 0.029 . 1 . . 74 . . 42 LEU N . 52693 2
215 . 2 . 2 43 43 ASP H H 1 7.907 0.004 . 1 . . 23 . . 43 ASP H . 52693 2
216 . 2 . 2 43 43 ASP HA H 1 4.355 0.002 . 1 . . 79 . . 43 ASP HA . 52693 2
217 . 2 . 2 43 43 ASP C C 13 173.963 . . 1 . . 78 . . 43 ASP C . 52693 2
218 . 2 . 2 43 43 ASP CA C 13 55.925 0.011 . 1 . . 75 . . 43 ASP CA . 52693 2
219 . 2 . 2 43 43 ASP CB C 13 42.365 . . 1 . . 76 . . 43 ASP CB . 52693 2
220 . 2 . 2 43 43 ASP N N 15 126.120 0.02 . 1 . . 24 . . 43 ASP N . 52693 2
stop_
save_