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 52977
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name ChemicalShifts
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 52977 1
2 '3D 1H-15N NOESY' . . . 52977 1
3 '3D 1H-15N TOCSY' . . . 52977 1
4 '2D 1H-13C HSQC' . . . 52977 1
5 '3D 1H-13C NOESY' . . . 52977 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 . . 52977 1
2 $software_2 . . 52977 1
3 $software_3 . . 52977 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 3 3 CYS H H 1 7.859 0.005 . 1 . . 33 . . 3 CYS H . 52977 1
2 . 1 . 1 3 3 CYS HA H 1 5.019 0.004 . 1 . . 159 . . 3 CYS HA . 52977 1
3 . 1 . 1 3 3 CYS HB2 H 1 3.158 0.009 . 2 . . 157 . . 3 CYS HB2 . 52977 1
4 . 1 . 1 3 3 CYS HB3 H 1 2.858 0.003 . 2 . . 158 . . 3 CYS HB3 . 52977 1
5 . 1 . 1 3 3 CYS CA C 13 53.724 . . 1 . . 205 . . 3 CYS CA . 52977 1
6 . 1 . 1 3 3 CYS CB C 13 43.369 0.064 . 1 . . 206 . . 3 CYS CB . 52977 1
7 . 1 . 1 3 3 CYS N N 15 116.869 0.043 . 1 . . 34 . . 3 CYS N . 52977 1
8 . 1 . 1 4 4 GLN H H 1 9.158 0.003 . 1 . . 24 . . 4 GLN H . 52977 1
9 . 1 . 1 4 4 GLN HA H 1 4.496 0.008 . 1 . . 152 . . 4 GLN HA . 52977 1
10 . 1 . 1 4 4 GLN HB2 H 1 2.161 0.012 . 2 . . 153 . . 4 GLN HB2 . 52977 1
11 . 1 . 1 4 4 GLN HB3 H 1 2.327 0.009 . 2 . . 162 . . 4 GLN HB3 . 52977 1
12 . 1 . 1 4 4 GLN HG2 H 1 2.046 0.004 . 2 . . 154 . . 4 GLN HG2 . 52977 1
13 . 1 . 1 4 4 GLN HG3 H 1 2.757 0.001 . 2 . . 163 . . 4 GLN HG3 . 52977 1
14 . 1 . 1 4 4 GLN HE21 H 1 7.226 0.004 . 1 . . 22 . . 4 GLN HE21 . 52977 1
15 . 1 . 1 4 4 GLN HE22 H 1 8.763 0.003 . 1 . . 30 . . 4 GLN HE22 . 52977 1
16 . 1 . 1 4 4 GLN CA C 13 55.576 . . 1 . . 207 . . 4 GLN CA . 52977 1
17 . 1 . 1 4 4 GLN CB C 13 31.523 0.001 . 1 . . 209 . . 4 GLN CB . 52977 1
18 . 1 . 1 4 4 GLN CG C 13 34.241 0.001 . 1 . . 208 . . 4 GLN CG . 52977 1
19 . 1 . 1 4 4 GLN N N 15 117.946 0.06 . 1 . . 25 . . 4 GLN N . 52977 1
20 . 1 . 1 4 4 GLN NE2 N 15 113.119 0.047 . 1 . . 23 . . 4 GLN NE2 . 52977 1
21 . 1 . 1 5 5 LYS HA H 1 3.672 0.003 . 1 . . 290 . . 5 LYS HA . 52977 1
22 . 1 . 1 5 5 LYS CA C 13 54.999 . . 1 . . 291 . . 5 LYS CA . 52977 1
23 . 1 . 1 6 6 TRP H H 1 7.986 0.004 . 1 . . 37 . . 6 TRP H . 52977 1
24 . 1 . 1 6 6 TRP HA H 1 4.105 0.002 . 1 . . 151 . . 6 TRP HA . 52977 1
25 . 1 . 1 6 6 TRP HB2 H 1 3.153 0.014 . 2 . . 160 . . 6 TRP HB2 . 52977 1
26 . 1 . 1 6 6 TRP HB3 H 1 3.045 0.006 . 2 . . 161 . . 6 TRP HB3 . 52977 1
27 . 1 . 1 6 6 TRP HD1 H 1 7.524 0.006 . 1 . . 175 . . 6 TRP HD1 . 52977 1
28 . 1 . 1 6 6 TRP HE1 H 1 11.389 0.003 . 1 . . 173 . . 6 TRP HE1 . 52977 1
29 . 1 . 1 6 6 TRP HE3 H 1 7.529 0.003 . 1 . . 167 . . 6 TRP HE3 . 52977 1
30 . 1 . 1 6 6 TRP CA C 13 59.179 . . 1 . . 198 . . 6 TRP CA . 52977 1
31 . 1 . 1 6 6 TRP CB C 13 28.277 0.011 . 1 . . 197 . . 6 TRP CB . 52977 1
32 . 1 . 1 6 6 TRP N N 15 118.981 0.04 . 1 . . 38 . . 6 TRP N . 52977 1
33 . 1 . 1 6 6 TRP NE1 N 15 132.488 0.053 . 1 . . 174 . . 6 TRP NE1 . 52977 1
34 . 1 . 1 7 7 MET H H 1 9.377 0.007 . 1 . . 14 . . 7 MET H . 52977 1
35 . 1 . 1 7 7 MET HA H 1 3.913 0.002 . 1 . . 115 . . 7 MET HA . 52977 1
36 . 1 . 1 7 7 MET HB2 H 1 1.343 0.005 . 2 . . 211 . . 7 MET HB2 . 52977 1
37 . 1 . 1 7 7 MET HB3 H 1 0.591 0.007 . 2 . . 212 . . 7 MET HB3 . 52977 1
38 . 1 . 1 7 7 MET HG2 H 1 1.752 0.003 . 2 . . 213 . . 7 MET HG2 . 52977 1
39 . 1 . 1 7 7 MET HG3 H 1 1.987 0.004 . 2 . . 214 . . 7 MET HG3 . 52977 1
40 . 1 . 1 7 7 MET HE1 H 1 0.806 . . 1 . . 223 . . 7 MET HE1 . 52977 1
41 . 1 . 1 7 7 MET HE2 H 1 0.806 . . 1 . . 223 . . 7 MET HE2 . 52977 1
42 . 1 . 1 7 7 MET HE3 H 1 0.806 . . 1 . . 223 . . 7 MET HE3 . 52977 1
43 . 1 . 1 7 7 MET CA C 13 56.697 . . 1 . . 210 . . 7 MET CA . 52977 1
44 . 1 . 1 7 7 MET CB C 13 30.681 0.01 . 1 . . 215 . . 7 MET CB . 52977 1
45 . 1 . 1 7 7 MET CG C 13 27.387 0.009 . 1 . . 216 . . 7 MET CG . 52977 1
46 . 1 . 1 7 7 MET N N 15 117.965 0.069 . 1 . . 15 . . 7 MET N . 52977 1
47 . 1 . 1 8 8 TRP H H 1 8.744 0.006 . 1 . . 3 . . 8 TRP H . 52977 1
48 . 1 . 1 8 8 TRP HA H 1 5.048 0.01 . 1 . . 101 . . 8 TRP HA . 52977 1
49 . 1 . 1 8 8 TRP HB2 H 1 3.614 0.008 . 2 . . 102 . . 8 TRP HB2 . 52977 1
50 . 1 . 1 8 8 TRP HB3 H 1 3.465 0.009 . 2 . . 103 . . 8 TRP HB3 . 52977 1
51 . 1 . 1 8 8 TRP HD1 H 1 7.088 0.019 . 1 . . 165 . . 8 TRP HD1 . 52977 1
52 . 1 . 1 8 8 TRP HE1 H 1 10.234 0.005 . 1 . . 168 . . 8 TRP HE1 . 52977 1
53 . 1 . 1 8 8 TRP HE3 H 1 7.743 0.017 . 1 . . 280 . . 8 TRP HE3 . 52977 1
54 . 1 . 1 8 8 TRP HZ3 H 1 7.745 . . 1 . . 281 . . 8 TRP HZ3 . 52977 1
55 . 1 . 1 8 8 TRP HH2 H 1 7.625 . . 1 . . 172 . . 8 TRP HH2 . 52977 1
56 . 1 . 1 8 8 TRP CA C 13 55.872 . . 1 . . 195 . . 8 TRP CA . 52977 1
57 . 1 . 1 8 8 TRP CB C 13 29.612 0.01 . 1 . . 196 . . 8 TRP CB . 52977 1
58 . 1 . 1 8 8 TRP N N 15 122.382 0.056 . 1 . . 4 . . 8 TRP N . 52977 1
59 . 1 . 1 8 8 TRP NE1 N 15 129.248 0.064 . 1 . . 164 . . 8 TRP NE1 . 52977 1
60 . 1 . 1 9 9 THR H H 1 8.547 0.001 . 1 . . 26 . . 9 THR H . 52977 1
61 . 1 . 1 9 9 THR HA H 1 4.513 0.002 . 1 . . 58 . . 9 THR HA . 52977 1
62 . 1 . 1 9 9 THR HB H 1 4.296 0.003 . 1 . . 59 . . 9 THR HB . 52977 1
63 . 1 . 1 9 9 THR HG21 H 1 1.281 0.002 . 1 . . 61 . . 9 THR HG21 . 52977 1
64 . 1 . 1 9 9 THR HG22 H 1 1.281 0.002 . 1 . . 61 . . 9 THR HG22 . 52977 1
65 . 1 . 1 9 9 THR HG23 H 1 1.281 0.002 . 1 . . 61 . . 9 THR HG23 . 52977 1
66 . 1 . 1 9 9 THR CA C 13 62.968 0.002 . 1 . . 182 . . 9 THR CA . 52977 1
67 . 1 . 1 9 9 THR CB C 13 69.920 . . 1 . . 183 . . 9 THR CB . 52977 1
68 . 1 . 1 9 9 THR CG2 C 13 22.139 . . 1 . . 184 . . 9 THR CG2 . 52977 1
69 . 1 . 1 9 9 THR N N 15 113.103 0.067 . 1 . . 27 . . 9 THR N . 52977 1
70 . 1 . 1 10 10 CYS H H 1 7.829 0.01 . 1 . . 35 . . 10 CYS H . 52977 1
71 . 1 . 1 10 10 CYS HA H 1 5.212 0.01 . 1 . . 147 . . 10 CYS HA . 52977 1
72 . 1 . 1 10 10 CYS HB2 H 1 3.371 0.02 . 2 . . 299 . . 10 CYS HB2 . 52977 1
73 . 1 . 1 10 10 CYS HB3 H 1 3.374 0.02 . 2 . . 300 . . 10 CYS HB3 . 52977 1
74 . 1 . 1 10 10 CYS CA C 13 53.779 . . 1 . . 217 . . 10 CYS CA . 52977 1
75 . 1 . 1 10 10 CYS CB C 13 40.516 . . 1 . . 301 . . 10 CYS CB . 52977 1
76 . 1 . 1 10 10 CYS N N 15 115.956 0.056 . 1 . . 36 . . 10 CYS N . 52977 1
77 . 1 . 1 11 11 ASP H H 1 8.666 0.002 . 1 . . 16 . . 11 ASP H . 52977 1
78 . 1 . 1 11 11 ASP HA H 1 4.395 0.005 . 1 . . 131 . . 11 ASP HA . 52977 1
79 . 1 . 1 11 11 ASP HB2 H 1 3.145 0.006 . 1 . . 132 . . 11 ASP HB2 . 52977 1
80 . 1 . 1 11 11 ASP HB3 H 1 3.145 0.006 . 1 . . 133 . . 11 ASP HB3 . 52977 1
81 . 1 . 1 11 11 ASP CA C 13 54.156 . . 1 . . 218 . . 11 ASP CA . 52977 1
82 . 1 . 1 11 11 ASP CB C 13 40.098 . . 1 . . 219 . . 11 ASP CB . 52977 1
83 . 1 . 1 11 11 ASP N N 15 119.118 0.07 . 1 . . 17 . . 11 ASP N . 52977 1
84 . 1 . 1 12 12 GLU H H 1 8.615 0.005 . 1 . . 39 . . 12 GLU H . 52977 1
85 . 1 . 1 12 12 GLU HA H 1 4.000 0.002 . 1 . . 126 . . 12 GLU HA . 52977 1
86 . 1 . 1 12 12 GLU HB2 H 1 2.058 0.009 . 1 . . 129 . . 12 GLU HB2 . 52977 1
87 . 1 . 1 12 12 GLU HB3 H 1 2.058 0.009 . 1 . . 130 . . 12 GLU HB3 . 52977 1
88 . 1 . 1 12 12 GLU HG2 H 1 2.345 0.003 . 1 . . 127 . . 12 GLU HG2 . 52977 1
89 . 1 . 1 12 12 GLU HG3 H 1 2.345 0.003 . 1 . . 128 . . 12 GLU HG3 . 52977 1
90 . 1 . 1 12 12 GLU CA C 13 59.451 . . 1 . . 220 . . 12 GLU CA . 52977 1
91 . 1 . 1 12 12 GLU CB C 13 29.329 . . 1 . . 221 . . 12 GLU CB . 52977 1
92 . 1 . 1 12 12 GLU CG C 13 36.525 . . 1 . . 222 . . 12 GLU CG . 52977 1
93 . 1 . 1 12 12 GLU N N 15 116.327 0.056 . 1 . . 40 . . 12 GLU N . 52977 1
94 . 1 . 1 13 13 GLU H H 1 8.247 0.003 . 1 . . 48 . . 13 GLU H . 52977 1
95 . 1 . 1 13 13 GLU HA H 1 4.376 0.002 . 1 . . 144 . . 13 GLU HA . 52977 1
96 . 1 . 1 13 13 GLU HB2 H 1 1.616 0.008 . 2 . . 294 . . 13 GLU HB2 . 52977 1
97 . 1 . 1 13 13 GLU HB3 H 1 1.831 0.011 . 2 . . 295 . . 13 GLU HB3 . 52977 1
98 . 1 . 1 13 13 GLU HG2 H 1 2.222 0.009 . 2 . . 145 . . 13 GLU HG2 . 52977 1
99 . 1 . 1 13 13 GLU HG3 H 1 2.016 0.017 . 2 . . 146 . . 13 GLU HG3 . 52977 1
100 . 1 . 1 13 13 GLU CA C 13 55.868 . . 1 . . 232 . . 13 GLU CA . 52977 1
101 . 1 . 1 13 13 GLU CB C 13 33.260 0.004 . 1 . . 296 . . 13 GLU CB . 52977 1
102 . 1 . 1 13 13 GLU CG C 13 36.768 0.069 . 1 . . 241 . . 13 GLU CG . 52977 1
103 . 1 . 1 13 13 GLU N N 15 116.563 0.063 . 1 . . 49 . . 13 GLU N . 52977 1
104 . 1 . 1 14 14 ARG H H 1 8.277 0.005 . 1 . . 20 . . 14 ARG H . 52977 1
105 . 1 . 1 14 14 ARG HA H 1 4.511 0.005 . 1 . . 236 . . 14 ARG HA . 52977 1
106 . 1 . 1 14 14 ARG HB2 H 1 1.823 0.013 . 2 . . 98 . . 14 ARG HB2 . 52977 1
107 . 1 . 1 14 14 ARG HB3 H 1 1.625 0.009 . 2 . . 99 . . 14 ARG HB3 . 52977 1
108 . 1 . 1 14 14 ARG HG2 H 1 1.422 0.01 . 2 . . 100 . . 14 ARG HG2 . 52977 1
109 . 1 . 1 14 14 ARG HG3 H 1 1.424 0.011 . 2 . . 268 . . 14 ARG HG3 . 52977 1
110 . 1 . 1 14 14 ARG HD2 H 1 3.232 0.016 . 2 . . 96 . . 14 ARG HD2 . 52977 1
111 . 1 . 1 14 14 ARG HD3 H 1 3.070 0.015 . 2 . . 97 . . 14 ARG HD3 . 52977 1
112 . 1 . 1 14 14 ARG CA C 13 54.593 . . 1 . . 237 . . 14 ARG CA . 52977 1
113 . 1 . 1 14 14 ARG CB C 13 33.260 0.004 . 1 . . 243 . . 14 ARG CB . 52977 1
114 . 1 . 1 14 14 ARG CG C 13 26.946 . . 1 . . 242 . . 14 ARG CG . 52977 1
115 . 1 . 1 14 14 ARG CD C 13 43.688 0.039 . 1 . . 244 . . 14 ARG CD . 52977 1
116 . 1 . 1 14 14 ARG N N 15 124.512 0.074 . 1 . . 21 . . 14 ARG N . 52977 1
117 . 1 . 1 15 15 LYS H H 1 7.852 0.005 . 1 . . 28 . . 15 LYS H . 52977 1
118 . 1 . 1 15 15 LYS HA H 1 4.373 0.004 . 1 . . 245 . . 15 LYS HA . 52977 1
119 . 1 . 1 15 15 LYS HB2 H 1 1.762 0.01 . 2 . . 124 . . 15 LYS HB2 . 52977 1
120 . 1 . 1 15 15 LYS HB3 H 1 1.921 0.007 . 2 . . 125 . . 15 LYS HB3 . 52977 1
121 . 1 . 1 15 15 LYS HG2 H 1 1.461 0.011 . 2 . . 123 . . 15 LYS HG2 . 52977 1
122 . 1 . 1 15 15 LYS HG3 H 1 1.631 0.008 . 2 . . 292 . . 15 LYS HG3 . 52977 1
123 . 1 . 1 15 15 LYS HE2 H 1 3.100 0.005 . 1 . . 121 . . 15 LYS HE2 . 52977 1
124 . 1 . 1 15 15 LYS HE3 H 1 3.100 0.005 . 1 . . 122 . . 15 LYS HE3 . 52977 1
125 . 1 . 1 15 15 LYS CA C 13 55.868 . . 1 . . 246 . . 15 LYS CA . 52977 1
126 . 1 . 1 15 15 LYS CB C 13 33.723 0.001 . 1 . . 247 . . 15 LYS CB . 52977 1
127 . 1 . 1 15 15 LYS CG C 13 26.901 0.044 . 1 . . 293 . . 15 LYS CG . 52977 1
128 . 1 . 1 15 15 LYS CE C 13 42.066 . . 1 . . 248 . . 15 LYS CE . 52977 1
129 . 1 . 1 15 15 LYS N N 15 121.063 0.075 . 1 . . 29 . . 15 LYS N . 52977 1
130 . 1 . 1 16 16 CYS H H 1 9.170 0.001 . 1 . . 1 . . 16 CYS H . 52977 1
131 . 1 . 1 16 16 CYS HA H 1 4.996 0.004 . 1 . . 116 . . 16 CYS HA . 52977 1
132 . 1 . 1 16 16 CYS HB2 H 1 3.181 0.007 . 2 . . 117 . . 16 CYS HB2 . 52977 1
133 . 1 . 1 16 16 CYS HB3 H 1 2.526 0.005 . 2 . . 118 . . 16 CYS HB3 . 52977 1
134 . 1 . 1 16 16 CYS CA C 13 55.597 . . 1 . . 230 . . 16 CYS CA . 52977 1
135 . 1 . 1 16 16 CYS CB C 13 41.115 0.067 . 1 . . 224 . . 16 CYS CB . 52977 1
136 . 1 . 1 16 16 CYS N N 15 119.296 0.072 . 1 . . 2 . . 16 CYS N . 52977 1
137 . 1 . 1 17 17 CYS H H 1 9.121 0.001 . 1 . . 18 . . 17 CYS H . 52977 1
138 . 1 . 1 17 17 CYS HA H 1 4.522 0.003 . 1 . . 119 . . 17 CYS HA . 52977 1
139 . 1 . 1 17 17 CYS HB2 H 1 2.485 0.005 . 2 . . 120 . . 17 CYS HB2 . 52977 1
140 . 1 . 1 17 17 CYS HB3 H 1 3.394 0.005 . 2 . . 227 . . 17 CYS HB3 . 52977 1
141 . 1 . 1 17 17 CYS CA C 13 53.943 . . 1 . . 239 . . 17 CYS CA . 52977 1
142 . 1 . 1 17 17 CYS CB C 13 40.516 0.0 . 1 . . 228 . . 17 CYS CB . 52977 1
143 . 1 . 1 17 17 CYS N N 15 121.105 0.058 . 1 . . 19 . . 17 CYS N . 52977 1
144 . 1 . 1 18 18 GLU H H 1 8.352 0.002 . 1 . . 8 . . 18 GLU H . 52977 1
145 . 1 . 1 18 18 GLU HA H 1 4.078 0.002 . 1 . . 134 . . 18 GLU HA . 52977 1
146 . 1 . 1 18 18 GLU HB2 H 1 1.935 0.01 . 1 . . 137 . . 18 GLU HB2 . 52977 1
147 . 1 . 1 18 18 GLU HB3 H 1 1.935 0.01 . 1 . . 138 . . 18 GLU HB3 . 52977 1
148 . 1 . 1 18 18 GLU HG2 H 1 2.295 0.004 . 1 . . 135 . . 18 GLU HG2 . 52977 1
149 . 1 . 1 18 18 GLU HG3 H 1 2.295 0.004 . 1 . . 136 . . 18 GLU HG3 . 52977 1
150 . 1 . 1 18 18 GLU CA C 13 58.069 . . 1 . . 238 . . 18 GLU CA . 52977 1
151 . 1 . 1 18 18 GLU CB C 13 29.581 . . 1 . . 249 . . 18 GLU CB . 52977 1
152 . 1 . 1 18 18 GLU CG C 13 35.984 . . 1 . . 250 . . 18 GLU CG . 52977 1
153 . 1 . 1 18 18 GLU N N 15 119.173 0.102 . 1 . . 9 . . 18 GLU N . 52977 1
154 . 1 . 1 19 19 GLY HA2 H 1 4.261 0.007 . 2 . . 277 . . 19 GLY HA2 . 52977 1
155 . 1 . 1 19 19 GLY HA3 H 1 3.624 0.007 . 2 . . 278 . . 19 GLY HA3 . 52977 1
156 . 1 . 1 19 19 GLY CA C 13 44.867 0.015 . 1 . . 279 . . 19 GLY CA . 52977 1
157 . 1 . 1 20 20 LEU H H 1 7.603 0.007 . 1 . . 42 . . 20 LEU H . 52977 1
158 . 1 . 1 20 20 LEU HA H 1 5.160 0.003 . 1 . . 139 . . 20 LEU HA . 52977 1
159 . 1 . 1 20 20 LEU HB2 H 1 2.138 0.01 . 1 . . 142 . . 20 LEU HB2 . 52977 1
160 . 1 . 1 20 20 LEU HB3 H 1 2.138 0.01 . 1 . . 143 . . 20 LEU HB3 . 52977 1
161 . 1 . 1 20 20 LEU HG H 1 1.280 0.003 . 1 . . 141 . . 20 LEU HG . 52977 1
162 . 1 . 1 20 20 LEU HD11 H 1 0.806 0.014 . 2 . . 140 . . 20 LEU HD11 . 52977 1
163 . 1 . 1 20 20 LEU HD12 H 1 0.806 0.014 . 2 . . 140 . . 20 LEU HD12 . 52977 1
164 . 1 . 1 20 20 LEU HD13 H 1 0.806 0.014 . 2 . . 140 . . 20 LEU HD13 . 52977 1
165 . 1 . 1 20 20 LEU HD21 H 1 0.796 0.024 . 2 . . 254 . . 20 LEU HD21 . 52977 1
166 . 1 . 1 20 20 LEU HD22 H 1 0.796 0.024 . 2 . . 254 . . 20 LEU HD22 . 52977 1
167 . 1 . 1 20 20 LEU HD23 H 1 0.796 0.024 . 2 . . 254 . . 20 LEU HD23 . 52977 1
168 . 1 . 1 20 20 LEU CA C 13 52.830 . . 1 . . 229 . . 20 LEU CA . 52977 1
169 . 1 . 1 20 20 LEU CB C 13 44.617 . . 1 . . 251 . . 20 LEU CB . 52977 1
170 . 1 . 1 20 20 LEU CG C 13 25.354 . . 1 . . 252 . . 20 LEU CG . 52977 1
171 . 1 . 1 20 20 LEU CD1 C 13 20.819 . . 2 . . 253 . . 20 LEU CD1 . 52977 1
172 . 1 . 1 20 20 LEU CD2 C 13 20.184 . . 2 . . 255 . . 20 LEU CD2 . 52977 1
173 . 1 . 1 20 20 LEU N N 15 120.451 0.076 . 1 . . 43 . . 20 LEU N . 52977 1
174 . 1 . 1 21 21 VAL H H 1 9.507 0.003 . 1 . . 6 . . 21 VAL H . 52977 1
175 . 1 . 1 21 21 VAL HA H 1 4.465 0.003 . 1 . . 62 . . 21 VAL HA . 52977 1
176 . 1 . 1 21 21 VAL HB H 1 1.862 0.001 . 1 . . 63 . . 21 VAL HB . 52977 1
177 . 1 . 1 21 21 VAL HG11 H 1 0.811 0.004 . 2 . . 64 . . 21 VAL HG11 . 52977 1
178 . 1 . 1 21 21 VAL HG12 H 1 0.811 0.004 . 2 . . 64 . . 21 VAL HG12 . 52977 1
179 . 1 . 1 21 21 VAL HG13 H 1 0.811 0.004 . 2 . . 64 . . 21 VAL HG13 . 52977 1
180 . 1 . 1 21 21 VAL HG21 H 1 0.697 0.014 . 2 . . 65 . . 21 VAL HG21 . 52977 1
181 . 1 . 1 21 21 VAL HG22 H 1 0.697 0.014 . 2 . . 65 . . 21 VAL HG22 . 52977 1
182 . 1 . 1 21 21 VAL HG23 H 1 0.697 0.014 . 2 . . 65 . . 21 VAL HG23 . 52977 1
183 . 1 . 1 21 21 VAL CA C 13 59.611 . . 1 . . 201 . . 21 VAL CA . 52977 1
184 . 1 . 1 21 21 VAL CB C 13 35.108 . . 1 . . 202 . . 21 VAL CB . 52977 1
185 . 1 . 1 21 21 VAL CG1 C 13 22.860 . . 2 . . 203 . . 21 VAL CG1 . 52977 1
186 . 1 . 1 21 21 VAL CG2 C 13 25.505 . . 2 . . 204 . . 21 VAL CG2 . 52977 1
187 . 1 . 1 21 21 VAL N N 15 118.400 0.067 . 1 . . 7 . . 21 VAL N . 52977 1
188 . 1 . 1 22 22 CYS H H 1 9.019 0.005 . 1 . . 31 . . 22 CYS H . 52977 1
189 . 1 . 1 22 22 CYS HA H 1 4.746 0.017 . 1 . . 82 . . 22 CYS HA . 52977 1
190 . 1 . 1 22 22 CYS HB2 H 1 3.364 0.008 . 2 . . 83 . . 22 CYS HB2 . 52977 1
191 . 1 . 1 22 22 CYS HB3 H 1 2.829 0.013 . 2 . . 84 . . 22 CYS HB3 . 52977 1
192 . 1 . 1 22 22 CYS CA C 13 57.713 . . 1 . . 256 . . 22 CYS CA . 52977 1
193 . 1 . 1 22 22 CYS CB C 13 39.618 0.018 . 1 . . 226 . . 22 CYS CB . 52977 1
194 . 1 . 1 22 22 CYS N N 15 123.877 0.046 . 1 . . 32 . . 22 CYS N . 52977 1
195 . 1 . 1 23 23 ARG H H 1 8.309 0.005 . 1 . . 46 . . 23 ARG H . 52977 1
196 . 1 . 1 23 23 ARG HA H 1 4.502 0.005 . 1 . . 69 . . 23 ARG HA . 52977 1
197 . 1 . 1 23 23 ARG HB2 H 1 1.672 0.003 . 1 . . 72 . . 23 ARG HB2 . 52977 1
198 . 1 . 1 23 23 ARG HB3 H 1 1.672 0.003 . 1 . . 73 . . 23 ARG HB3 . 52977 1
199 . 1 . 1 23 23 ARG HG2 H 1 1.461 0.003 . 1 . . 74 . . 23 ARG HG2 . 52977 1
200 . 1 . 1 23 23 ARG HG3 H 1 1.461 0.003 . 1 . . 75 . . 23 ARG HG3 . 52977 1
201 . 1 . 1 23 23 ARG HD2 H 1 3.157 0.005 . 2 . . 70 . . 23 ARG HD2 . 52977 1
202 . 1 . 1 23 23 ARG HD3 H 1 2.984 0.008 . 2 . . 71 . . 23 ARG HD3 . 52977 1
203 . 1 . 1 23 23 ARG CA C 13 54.593 . . 1 . . 231 . . 23 ARG CA . 52977 1
204 . 1 . 1 23 23 ARG CB C 13 30.108 . . 1 . . 257 . . 23 ARG CB . 52977 1
205 . 1 . 1 23 23 ARG CG C 13 29.064 . . 1 . . 258 . . 23 ARG CG . 52977 1
206 . 1 . 1 23 23 ARG CD C 13 43.274 0.031 . 1 . . 259 . . 23 ARG CD . 52977 1
207 . 1 . 1 23 23 ARG N N 15 135.434 0.084 . 1 . . 47 . . 23 ARG N . 52977 1
208 . 1 . 1 24 24 LEU H H 1 8.029 0.001 . 1 . . 52 . . 24 LEU H . 52977 1
209 . 1 . 1 24 24 LEU HA H 1 3.753 0.003 . 1 . . 90 . . 24 LEU HA . 52977 1
210 . 1 . 1 24 24 LEU HB2 H 1 1.136 0.003 . 1 . . 91 . . 24 LEU HB2 . 52977 1
211 . 1 . 1 24 24 LEU HB3 H 1 1.136 0.003 . 1 . . 92 . . 24 LEU HB3 . 52977 1
212 . 1 . 1 24 24 LEU HG H 1 1.128 0.01 . 1 . . 93 . . 24 LEU HG . 52977 1
213 . 1 . 1 24 24 LEU HD11 H 1 0.836 0.001 . 1 . . 94 . . 24 LEU HD11 . 52977 1
214 . 1 . 1 24 24 LEU HD12 H 1 0.836 0.001 . 1 . . 94 . . 24 LEU HD12 . 52977 1
215 . 1 . 1 24 24 LEU HD13 H 1 0.836 0.001 . 1 . . 94 . . 24 LEU HD13 . 52977 1
216 . 1 . 1 24 24 LEU HD21 H 1 0.836 0.001 . 1 . . 95 . . 24 LEU HD21 . 52977 1
217 . 1 . 1 24 24 LEU HD22 H 1 0.836 0.001 . 1 . . 95 . . 24 LEU HD22 . 52977 1
218 . 1 . 1 24 24 LEU HD23 H 1 0.836 0.001 . 1 . . 95 . . 24 LEU HD23 . 52977 1
219 . 1 . 1 24 24 LEU CA C 13 61.604 . . 1 . . 185 . . 24 LEU CA . 52977 1
220 . 1 . 1 24 24 LEU CB C 13 40.300 . . 1 . . 187 . . 24 LEU CB . 52977 1
221 . 1 . 1 24 24 LEU CG C 13 25.762 . . 1 . . 188 . . 24 LEU CG . 52977 1
222 . 1 . 1 24 24 LEU CD1 C 13 26.497 . . 1 . . 189 . . 24 LEU CD1 . 52977 1
223 . 1 . 1 24 24 LEU CD2 C 13 26.497 . . 1 . . 190 . . 24 LEU CD2 . 52977 1
224 . 1 . 1 24 24 LEU N N 15 123.683 0.051 . 1 . . 53 . . 24 LEU N . 52977 1
225 . 1 . 1 25 25 TRP H H 1 8.117 0.004 . 1 . . 166 . . 25 TRP H . 52977 1
226 . 1 . 1 25 25 TRP HA H 1 5.250 0.004 . 1 . . 148 . . 25 TRP HA . 52977 1
227 . 1 . 1 25 25 TRP HB2 H 1 3.008 0.008 . 2 . . 149 . . 25 TRP HB2 . 52977 1
228 . 1 . 1 25 25 TRP HB3 H 1 2.728 0.015 . 2 . . 150 . . 25 TRP HB3 . 52977 1
229 . 1 . 1 25 25 TRP HD1 H 1 7.054 0.008 . 1 . . 274 . . 25 TRP HD1 . 52977 1
230 . 1 . 1 25 25 TRP HE1 H 1 10.300 0.011 . 1 . . 176 . . 25 TRP HE1 . 52977 1
231 . 1 . 1 25 25 TRP HE3 H 1 7.457 . . 1 . . 275 . . 25 TRP HE3 . 52977 1
232 . 1 . 1 25 25 TRP CA C 13 56.499 . . 1 . . 193 . . 25 TRP CA . 52977 1
233 . 1 . 1 25 25 TRP CB C 13 32.250 0.003 . 1 . . 194 . . 25 TRP CB . 52977 1
234 . 1 . 1 25 25 TRP N N 15 116.487 0.067 . 1 . . 41 . . 25 TRP N . 52977 1
235 . 1 . 1 25 25 TRP NE1 N 15 129.993 0.053 . 1 . . 177 . . 25 TRP NE1 . 52977 1
236 . 1 . 1 26 26 CYS H H 1 8.824 0.002 . 1 . . 54 . . 26 CYS H . 52977 1
237 . 1 . 1 26 26 CYS HA H 1 4.918 0.009 . 1 . . 112 . . 26 CYS HA . 52977 1
238 . 1 . 1 26 26 CYS HB2 H 1 3.485 0.008 . 2 . . 113 . . 26 CYS HB2 . 52977 1
239 . 1 . 1 26 26 CYS HB3 H 1 2.815 0.009 . 2 . . 114 . . 26 CYS HB3 . 52977 1
240 . 1 . 1 26 26 CYS CA C 13 55.842 . . 1 . . 260 . . 26 CYS CA . 52977 1
241 . 1 . 1 26 26 CYS CB C 13 40.721 0.019 . 1 . . 225 . . 26 CYS CB . 52977 1
242 . 1 . 1 26 26 CYS N N 15 118.525 0.061 . 1 . . 55 . . 26 CYS N . 52977 1
243 . 1 . 1 27 27 LYS H H 1 9.519 0.007 . 1 . . 12 . . 27 LYS H . 52977 1
244 . 1 . 1 27 27 LYS HA H 1 5.029 0.011 . 1 . . 76 . . 27 LYS HA . 52977 1
245 . 1 . 1 27 27 LYS HB2 H 1 2.114 0.01 . 2 . . 79 . . 27 LYS HB2 . 52977 1
246 . 1 . 1 27 27 LYS HB3 H 1 1.691 0.011 . 2 . . 80 . . 27 LYS HB3 . 52977 1
247 . 1 . 1 27 27 LYS HG2 H 1 1.515 0.019 . 2 . . 81 . . 27 LYS HG2 . 52977 1
248 . 1 . 1 27 27 LYS HG3 H 1 1.279 0.008 . 2 . . 276 . . 27 LYS HG3 . 52977 1
249 . 1 . 1 27 27 LYS HD2 H 1 2.216 . . 2 . . 297 . . 27 LYS HD2 . 52977 1
250 . 1 . 1 27 27 LYS HD3 H 1 2.236 . . 2 . . 298 . . 27 LYS HD3 . 52977 1
251 . 1 . 1 27 27 LYS HE2 H 1 2.747 0.005 . 1 . . 77 . . 27 LYS HE2 . 52977 1
252 . 1 . 1 27 27 LYS HE3 H 1 2.747 0.005 . 1 . . 78 . . 27 LYS HE3 . 52977 1
253 . 1 . 1 27 27 LYS CA C 13 55.022 . . 1 . . 240 . . 27 LYS CA . 52977 1
254 . 1 . 1 27 27 LYS CB C 13 35.918 0.018 . 1 . . 283 . . 27 LYS CB . 52977 1
255 . 1 . 1 27 27 LYS CG C 13 25.319 0.036 . 1 . . 282 . . 27 LYS CG . 52977 1
256 . 1 . 1 27 27 LYS CE C 13 41.767 . . 1 . . 261 . . 27 LYS CE . 52977 1
257 . 1 . 1 27 27 LYS N N 15 126.762 0.069 . 1 . . 13 . . 27 LYS N . 52977 1
258 . 1 . 1 28 28 LYS H H 1 8.956 0.004 . 1 . . 50 . . 28 LYS H . 52977 1
259 . 1 . 1 28 28 LYS HA H 1 4.364 0.005 . 1 . . 108 . . 28 LYS HA . 52977 1
260 . 1 . 1 28 28 LYS HB2 H 1 1.598 0.008 . 2 . . 110 . . 28 LYS HB2 . 52977 1
261 . 1 . 1 28 28 LYS HB3 H 1 1.856 0.008 . 2 . . 111 . . 28 LYS HB3 . 52977 1
262 . 1 . 1 28 28 LYS HG2 H 1 1.122 0.015 . 2 . . 109 . . 28 LYS HG2 . 52977 1
263 . 1 . 1 28 28 LYS HG3 H 1 1.330 0.01 . 2 . . 284 . . 28 LYS HG3 . 52977 1
264 . 1 . 1 28 28 LYS CA C 13 57.222 . . 1 . . 234 . . 28 LYS CA . 52977 1
265 . 1 . 1 28 28 LYS CB C 13 33.260 0.004 . 1 . . 285 . . 28 LYS CB . 52977 1
266 . 1 . 1 28 28 LYS CG C 13 27.067 0.009 . 1 . . 262 . . 28 LYS CG . 52977 1
267 . 1 . 1 28 28 LYS N N 15 120.375 0.051 . 1 . . 51 . . 28 LYS N . 52977 1
268 . 1 . 1 29 29 LYS H H 1 8.257 0.005 . 1 . . 10 . . 29 LYS H . 52977 1
269 . 1 . 1 29 29 LYS HA H 1 3.958 0.008 . 1 . . 104 . . 29 LYS HA . 52977 1
270 . 1 . 1 29 29 LYS HB2 H 1 1.753 0.008 . 2 . . 107 . . 29 LYS HB2 . 52977 1
271 . 1 . 1 29 29 LYS HB3 H 1 1.607 0.009 . 2 . . 263 . . 29 LYS HB3 . 52977 1
272 . 1 . 1 29 29 LYS HG2 H 1 1.291 0.004 . 2 . . 287 . . 29 LYS HG2 . 52977 1
273 . 1 . 1 29 29 LYS HG3 H 1 1.291 0.004 . 2 . . 288 . . 29 LYS HG3 . 52977 1
274 . 1 . 1 29 29 LYS HE2 H 1 2.854 0.002 . 1 . . 105 . . 29 LYS HE2 . 52977 1
275 . 1 . 1 29 29 LYS HE3 H 1 2.854 0.002 . 1 . . 106 . . 29 LYS HE3 . 52977 1
276 . 1 . 1 29 29 LYS CA C 13 58.362 . . 1 . . 235 . . 29 LYS CA . 52977 1
277 . 1 . 1 29 29 LYS CB C 13 32.828 0.008 . 1 . . 286 . . 29 LYS CB . 52977 1
278 . 1 . 1 29 29 LYS CG C 13 25.354 . . 1 . . 289 . . 29 LYS CG . 52977 1
279 . 1 . 1 29 29 LYS CE C 13 41.865 . . 1 . . 264 . . 29 LYS CE . 52977 1
280 . 1 . 1 29 29 LYS N N 15 121.900 0.055 . 1 . . 11 . . 29 LYS N . 52977 1
281 . 1 . 1 30 30 ILE H H 1 7.709 0.001 . 1 . . 57 . . 30 ILE H . 52977 1
282 . 1 . 1 30 30 ILE HA H 1 4.124 0.004 . 1 . . 155 . . 30 ILE HA . 52977 1
283 . 1 . 1 30 30 ILE HB H 1 1.847 0.001 . 1 . . 156 . . 30 ILE HB . 52977 1
284 . 1 . 1 30 30 ILE HG12 H 1 1.118 . . 2 . . 269 . . 30 ILE HG12 . 52977 1
285 . 1 . 1 30 30 ILE HG13 H 1 1.118 0.0 . 2 . . 272 . . 30 ILE HG13 . 52977 1
286 . 1 . 1 30 30 ILE HG21 H 1 1.311 0.011 . 1 . . 270 . . 30 ILE HG21 . 52977 1
287 . 1 . 1 30 30 ILE HG22 H 1 1.311 0.011 . 1 . . 270 . . 30 ILE HG22 . 52977 1
288 . 1 . 1 30 30 ILE HG23 H 1 1.311 0.011 . 1 . . 270 . . 30 ILE HG23 . 52977 1
289 . 1 . 1 30 30 ILE HD11 H 1 0.766 0.006 . 1 . . 265 . . 30 ILE HD11 . 52977 1
290 . 1 . 1 30 30 ILE HD12 H 1 0.766 0.006 . 1 . . 265 . . 30 ILE HD12 . 52977 1
291 . 1 . 1 30 30 ILE HD13 H 1 0.766 0.006 . 1 . . 265 . . 30 ILE HD13 . 52977 1
292 . 1 . 1 30 30 ILE CA C 13 60.991 . . 1 . . 186 . . 30 ILE CA . 52977 1
293 . 1 . 1 30 30 ILE CB C 13 38.497 . . 1 . . 191 . . 30 ILE CB . 52977 1
294 . 1 . 1 30 30 ILE CG1 C 13 27.075 . . 1 . . 273 . . 30 ILE CG1 . 52977 1
295 . 1 . 1 30 30 ILE CG2 C 13 14.821 . . 1 . . 271 . . 30 ILE CG2 . 52977 1
296 . 1 . 1 30 30 ILE CD1 C 13 17.563 . . 1 . . 192 . . 30 ILE CD1 . 52977 1
297 . 1 . 1 30 30 ILE N N 15 116.712 0.072 . 1 . . 56 . . 30 ILE N . 52977 1
298 . 1 . 1 31 31 GLU H H 1 7.940 0.005 . 1 . . 44 . . 31 GLU H . 52977 1
299 . 1 . 1 31 31 GLU HA H 1 4.312 0.005 . 1 . . 85 . . 31 GLU HA . 52977 1
300 . 1 . 1 31 31 GLU HB2 H 1 2.040 0.023 . 1 . . 88 . . 31 GLU HB2 . 52977 1
301 . 1 . 1 31 31 GLU HB3 H 1 2.040 0.023 . 1 . . 89 . . 31 GLU HB3 . 52977 1
302 . 1 . 1 31 31 GLU HG2 H 1 2.232 0.006 . 2 . . 86 . . 31 GLU HG2 . 52977 1
303 . 1 . 1 31 31 GLU HG3 H 1 2.231 0.006 . 2 . . 87 . . 31 GLU HG3 . 52977 1
304 . 1 . 1 31 31 GLU CA C 13 56.116 . . 1 . . 233 . . 31 GLU CA . 52977 1
305 . 1 . 1 31 31 GLU CB C 13 31.001 . . 1 . . 266 . . 31 GLU CB . 52977 1
306 . 1 . 1 31 31 GLU CG C 13 40.279 . . 1 . . 267 . . 31 GLU CG . 52977 1
307 . 1 . 1 31 31 GLU N N 15 123.738 0.064 . 1 . . 45 . . 31 GLU N . 52977 1
308 . 1 . 1 32 32 TRP H H 1 7.663 0.001 . 1 . . 171 . . 32 TRP H . 52977 1
309 . 1 . 1 32 32 TRP HA H 1 4.467 0.001 . 1 . . 66 . . 32 TRP HA . 52977 1
310 . 1 . 1 32 32 TRP HB2 H 1 3.326 0.002 . 2 . . 67 . . 32 TRP HB2 . 52977 1
311 . 1 . 1 32 32 TRP HB3 H 1 3.157 0.006 . 2 . . 68 . . 32 TRP HB3 . 52977 1
312 . 1 . 1 32 32 TRP HD1 H 1 7.189 0.001 . 1 . . 178 . . 32 TRP HD1 . 52977 1
313 . 1 . 1 32 32 TRP HE1 H 1 9.972 0.005 . 1 . . 169 . . 32 TRP HE1 . 52977 1
314 . 1 . 1 32 32 TRP HE3 H 1 7.515 . . 1 . . 179 . . 32 TRP HE3 . 52977 1
315 . 1 . 1 32 32 TRP CA C 13 58.760 . . 1 . . 200 . . 32 TRP CA . 52977 1
316 . 1 . 1 32 32 TRP CB C 13 30.112 0.077 . 1 . . 199 . . 32 TRP CB . 52977 1
317 . 1 . 1 32 32 TRP N N 15 127.169 0.066 . 1 . . 5 . . 32 TRP N . 52977 1
318 . 1 . 1 32 32 TRP NE1 N 15 128.527 0.055 . 1 . . 170 . . 32 TRP NE1 . 52977 1
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