Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 16873
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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
7 '2D 13C-13C' . . . 16873 2
8 '2D 13C-13C SPC5' . . . 16873 2
9 '2D 15N-(13CO)-13CX' . . . 16873 2
10 '2D 15N-(13CA)-13CX' . . . 16873 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 $SPARKY . . 16873 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 1 1 MET C C 13 171.283 0.046 . 1 . . . . 1 M C . 16873 2
2 . 1 1 1 1 MET CA C 13 55.328 0.051 . 1 . . . . 1 M CA . 16873 2
3 . 1 1 1 1 MET CB C 13 34.256 0.288 . 1 . . . . 1 M CB . 16873 2
4 . 1 1 1 1 MET CE C 13 16.530 0.004 . 1 . . . . 1 M CE . 16873 2
5 . 1 1 1 1 MET CG C 13 31.171 0.003 . 1 . . . . 1 M CG . 16873 2
6 . 1 1 1 1 MET N N 15 38.395 0.024 . 1 . . . . 1 M N* . 16873 2
7 . 1 1 2 2 GLN C C 13 175.452 0.072 . 1 . . . . 2 Q C . 16873 2
8 . 1 1 2 2 GLN CA C 13 55.206 0.051 . 1 . . . . 2 Q CA . 16873 2
9 . 1 1 2 2 GLN CB C 13 30.523 0.100 . 1 . . . . 2 Q CB . 16873 2
10 . 1 1 2 2 GLN CD C 13 179.502 0.038 . 1 . . . . 2 Q CD . 16873 2
11 . 1 1 2 2 GLN CG C 13 35.018 0.040 . 1 . . . . 2 Q CG . 16873 2
12 . 1 1 2 2 GLN N N 15 123.150 0.090 . 1 . . . . 2 Q N . 16873 2
13 . 1 1 3 3 TYR C C 13 175.403 0.093 . 1 . . . . 3 Y C . 16873 2
14 . 1 1 3 3 TYR CA C 13 56.976 0.029 . 1 . . . . 3 Y CA . 16873 2
15 . 1 1 3 3 TYR CB C 13 43.620 0.136 . 1 . . . . 3 Y CB . 16873 2
16 . 1 1 3 3 TYR N N 15 123.433 0.135 . 1 . . . . 3 Y N . 16873 2
17 . 1 1 5 5 LEU C C 13 174.423 0.000 . 1 . . . . 5 L C . 16873 2
18 . 1 1 5 5 LEU CA C 13 52.759 0.055 . 1 . . . . 5 L CA . 16873 2
19 . 1 1 5 5 LEU CB C 13 43.018 0.025 . 1 . . . . 5 L CB . 16873 2
20 . 1 1 5 5 LEU CD1 C 13 25.359 0.009 . 2 . . . . 5 L CD1 . 16873 2
21 . 1 1 5 5 LEU CD2 C 13 24.867 0.006 . 2 . . . . 5 L CD2 . 16873 2
22 . 1 1 5 5 LEU CG C 13 27.482 0.095 . 1 . . . . 5 L CG . 16873 2
23 . 1 1 6 6 ILE C C 13 175.439 0.000 . 1 . . . . 6 I C . 16873 2
24 . 1 1 6 6 ILE CA C 13 60.226 0.051 . 1 . . . . 6 I CA . 16873 2
25 . 1 1 6 6 ILE CB C 13 37.981 0.037 . 1 . . . . 6 I CB . 16873 2
26 . 1 1 6 6 ILE CD1 C 13 13.147 0.032 . 1 . . . . 6 I CD1 . 16873 2
27 . 1 1 6 6 ILE CG1 C 13 27.841 0.045 . 1 . . . . 6 I CG1 . 16873 2
28 . 1 1 6 6 ILE CG2 C 13 17.518 0.028 . 1 . . . . 6 I CG2 . 16873 2
29 . 1 1 6 6 ILE N N 15 126.619 0.021 . 1 . . . . 6 I N . 16873 2
30 . 1 1 7 7 LEU CA C 13 54.944 0.047 . 1 . . . . 7 L CA . 16873 2
31 . 1 1 7 7 LEU CB C 13 43.154 0.074 . 1 . . . . 7 L CB . 16873 2
32 . 1 1 7 7 LEU CD1 C 13 25.532 0.027 . 2 . . . . 7 L CD1 . 16873 2
33 . 1 1 7 7 LEU CG C 13 27.755 0.013 . 1 . . . . 7 L CG . 16873 2
34 . 1 1 8 8 ASN C C 13 176.207 0.083 . 1 . . . . 8 N C . 16873 2
35 . 1 1 8 8 ASN CA C 13 50.506 0.119 . 1 . . . . 8 N CA . 16873 2
36 . 1 1 8 8 ASN CB C 13 38.111 0.040 . 1 . . . . 8 N CB . 16873 2
37 . 1 1 8 8 ASN CG C 13 176.556 0.014 . 1 . . . . 8 N CG . 16873 2
38 . 1 1 8 8 ASN N N 15 126.399 0.122 . 1 . . . . 8 N N . 16873 2
39 . 1 1 9 9 GLY C C 13 173.035 0.064 . 1 . . . . 9 G C . 16873 2
40 . 1 1 9 9 GLY CA C 13 44.404 0.046 . 1 . . . . 9 G CA . 16873 2
41 . 1 1 9 9 GLY N N 15 109.191 0.112 . 1 . . . . 9 G N . 16873 2
42 . 1 1 10 10 LYS C C 13 179.140 0.000 . 1 . . . . 10 K C . 16873 2
43 . 1 1 10 10 LYS CA C 13 59.502 0.041 . 1 . . . . 10 K CA . 16873 2
44 . 1 1 10 10 LYS CB C 13 32.365 0.224 . 1 . . . . 10 K CB . 16873 2
45 . 1 1 10 10 LYS CE C 13 42.001 0.000 . 1 . . . . 10 K CE . 16873 2
46 . 1 1 10 10 LYS CG C 13 25.434 0.090 . 1 . . . . 10 K CG . 16873 2
47 . 1 1 10 10 LYS NZ N 15 33.048 0.042 . 1 . . . . 10 K NZ . 16873 2
48 . 1 1 11 11 THR C C 13 173.478 0.000 . 1 . . . . 11 T C . 16873 2
49 . 1 1 11 11 THR CA C 13 61.413 0.000 . 1 . . . . 11 T CA . 16873 2
50 . 1 1 11 11 THR CB C 13 69.513 0.040 . 1 . . . . 11 T CB . 16873 2
51 . 1 1 11 11 THR CG2 C 13 21.807 0.000 . 1 . . . . 11 T CG2 . 16873 2
52 . 1 1 12 12 LEU CA C 13 54.449 0.056 . 1 . . . . 12 L CA . 16873 2
53 . 1 1 12 12 LEU CB C 13 42.005 0.090 . 1 . . . . 12 L CB . 16873 2
54 . 1 1 12 12 LEU CD1 C 13 25.559 0.012 . 2 . . . . 12 L CD1 . 16873 2
55 . 1 1 12 12 LEU CD2 C 13 23.834 0.001 . 2 . . . . 12 L CD2 . 16873 2
56 . 1 1 12 12 LEU CG C 13 28.008 0.068 . 1 . . . . 12 L CG . 16873 2
57 . 1 1 12 12 LEU N N 15 128.064 0.000 . 1 . . . . 12 L N . 16873 2
58 . 1 1 13 13 LYS C C 13 175.744 0.035 . 1 . . . . 13 K C . 16873 2
59 . 1 1 13 13 LYS CA C 13 53.428 0.074 . 1 . . . . 13 K CA . 16873 2
60 . 1 1 13 13 LYS CB C 13 39.133 0.079 . 1 . . . . 13 K CB . 16873 2
61 . 1 1 13 13 LYS CD C 13 30.282 0.000 . 1 . . . . 13 K CD . 16873 2
62 . 1 1 13 13 LYS CE C 13 42.972 0.000 . 1 . . . . 13 K CE . 16873 2
63 . 1 1 13 13 LYS CG C 13 26.587 0.112 . 1 . . . . 13 K CG . 16873 2
64 . 1 1 13 13 LYS NZ N 15 30.943 0.033 . 1 . . . . 13 K NZ . 16873 2
65 . 1 1 14 14 GLY C C 13 171.046 0.023 . 1 . . . . 14 G C . 16873 2
66 . 1 1 14 14 GLY CA C 13 44.368 0.041 . 1 . . . . 14 G CA . 16873 2
67 . 1 1 14 14 GLY N N 15 105.373 0.063 . 1 . . . . 14 G N . 16873 2
68 . 1 1 15 15 GLU C C 13 172.454 0.049 . 1 . . . . 15 E C . 16873 2
69 . 1 1 15 15 GLU CA C 13 53.476 0.053 . 1 . . . . 15 E CA . 16873 2
70 . 1 1 15 15 GLU CB C 13 32.788 0.122 . 1 . . . . 15 E CB . 16873 2
71 . 1 1 15 15 GLU CD C 13 180.531 0.024 . 1 . . . . 15 E CD . 16873 2
72 . 1 1 15 15 GLU CG C 13 33.586 0.079 . 1 . . . . 15 E CG . 16873 2
73 . 1 1 15 15 GLU N N 15 122.176 0.083 . 1 . . . . 15 E N . 16873 2
74 . 1 1 16 16 THR C C 13 172.430 0.007 . 1 . . . . 16 T C . 16873 2
75 . 1 1 16 16 THR CA C 13 60.351 0.005 . 1 . . . . 16 T CA . 16873 2
76 . 1 1 16 16 THR CB C 13 69.493 0.001 . 1 . . . . 16 T CB . 16873 2
77 . 1 1 16 16 THR CG2 C 13 18.567 0.013 . 1 . . . . 16 T CG2 . 16873 2
78 . 1 1 16 16 THR N N 15 114.236 0.029 . 1 . . . . 16 T N . 16873 2
79 . 1 1 18 18 THR C C 13 171.799 0.000 . 1 . . . . 18 T C . 16873 2
80 . 1 1 18 18 THR CA C 13 61.820 0.050 . 1 . . . . 18 T CA . 16873 2
81 . 1 1 18 18 THR CB C 13 70.392 0.001 . 1 . . . . 18 T CB . 16873 2
82 . 1 1 18 18 THR CG2 C 13 18.267 0.003 . 1 . . . . 18 T CG2 . 16873 2
83 . 1 1 19 19 GLU C C 13 175.549 0.061 . 1 . . . . 19 E C . 16873 2
84 . 1 1 19 19 GLU CA C 13 54.456 0.129 . 1 . . . . 19 E CA . 16873 2
85 . 1 1 19 19 GLU CB C 13 30.249 0.084 . 1 . . . . 19 E CB . 16873 2
86 . 1 1 19 19 GLU CD C 13 181.361 0.083 . 1 . . . . 19 E CD . 16873 2
87 . 1 1 19 19 GLU CG C 13 34.605 0.020 . 1 . . . . 19 E CG . 16873 2
88 . 1 1 19 19 GLU N N 15 124.061 0.048 . 1 . . . . 19 E N . 16873 2
89 . 1 1 20 20 ALA C C 13 177.524 0.008 . 1 . . . . 20 A C . 16873 2
90 . 1 1 20 20 ALA CA C 13 50.959 0.056 . 1 . . . . 20 A CA . 16873 2
91 . 1 1 20 20 ALA CB C 13 23.152 0.022 . 1 . . . . 20 A CB . 16873 2
92 . 1 1 20 20 ALA N N 15 124.469 0.096 . 1 . . . . 20 A N . 16873 2
93 . 1 1 21 21 VAL C C 13 175.148 0.003 . 1 . . . . 21 V C . 16873 2
94 . 1 1 21 21 VAL CA C 13 63.489 0.097 . 1 . . . . 21 V CA . 16873 2
95 . 1 1 21 21 VAL CB C 13 32.294 0.029 . 1 . . . . 21 V CB . 16873 2
96 . 1 1 21 21 VAL CG1 C 13 21.731 0.000 . 2 . . . . 21 V CG1 . 16873 2
97 . 1 1 22 22 ASP C C 13 175.166 0.090 . 1 . . . . 22 D C . 16873 2
98 . 1 1 22 22 ASP CA C 13 52.270 0.059 . 1 . . . . 22 D CA . 16873 2
99 . 1 1 22 22 ASP CB C 13 42.331 0.067 . 1 . . . . 22 D CB . 16873 2
100 . 1 1 22 22 ASP CG C 13 179.778 0.020 . 1 . . . . 22 D CG . 16873 2
101 . 1 1 22 22 ASP N N 15 114.940 0.014 . 1 . . . . 22 D N . 16873 2
102 . 1 1 23 23 ALA C C 13 179.558 0.094 . 1 . . . . 23 A C . 16873 2
103 . 1 1 23 23 ALA CA C 13 54.509 0.123 . 1 . . . . 23 A CA . 16873 2
104 . 1 1 23 23 ALA CB C 13 18.178 0.093 . 1 . . . . 23 A CB . 16873 2
105 . 1 1 23 23 ALA N N 15 122.681 0.079 . 1 . . . . 23 A N . 16873 2
106 . 1 1 24 24 ALA C C 13 180.816 0.057 . 1 . . . . 24 A C . 16873 2
107 . 1 1 24 24 ALA CA C 13 54.877 0.137 . 1 . . . . 24 A CA . 16873 2
108 . 1 1 24 24 ALA CB C 13 18.083 0.063 . 1 . . . . 24 A CB . 16873 2
109 . 1 1 24 24 ALA N N 15 120.194 0.008 . 1 . . . . 24 A N . 16873 2
110 . 1 1 25 25 THR C C 13 176.129 0.000 . 1 . . . . 25 T C . 16873 2
111 . 1 1 25 25 THR CA C 13 67.079 0.162 . 1 . . . . 25 T CA . 16873 2
112 . 1 1 25 25 THR CB C 13 67.808 0.000 . 1 . . . . 25 T CB . 16873 2
113 . 1 1 25 25 THR CG2 C 13 21.711 0.013 . 1 . . . . 25 T CG2 . 16873 2
114 . 1 1 26 26 ALA CA C 13 54.968 0.006 . 1 . . . . 26 A CA . 16873 2
115 . 1 1 26 26 ALA CB C 13 17.431 0.006 . 1 . . . . 26 A CB . 16873 2
116 . 1 1 26 26 ALA N N 15 123.330 0.000 . 1 . . . . 26 A N . 16873 2
117 . 1 1 27 27 GLU C C 13 177.476 0.029 . 1 . . . . 27 E C . 16873 2
118 . 1 1 27 27 GLU CA C 13 59.327 0.073 . 1 . . . . 27 E CA . 16873 2
119 . 1 1 27 27 GLU CB C 13 27.876 0.032 . 1 . . . . 27 E CB . 16873 2
120 . 1 1 27 27 GLU CD C 13 178.942 0.059 . 1 . . . . 27 E CD . 16873 2
121 . 1 1 27 27 GLU CG C 13 33.687 0.081 . 1 . . . . 27 E CG . 16873 2
122 . 1 1 27 27 GLU N N 15 115.873 0.037 . 1 . . . . 27 E N . 16873 2
123 . 1 1 28 28 LYS C C 13 179.625 0.000 . 1 . . . . 28 K C . 16873 2
124 . 1 1 28 28 LYS CA C 13 59.533 0.052 . 1 . . . . 28 K CA . 16873 2
125 . 1 1 28 28 LYS CB C 13 32.346 0.168 . 1 . . . . 28 K CB . 16873 2
126 . 1 1 28 28 LYS CE C 13 42.127 0.000 . 1 . . . . 28 K CE . 16873 2
127 . 1 1 28 28 LYS CG C 13 26.109 0.102 . 1 . . . . 28 K CG . 16873 2
128 . 1 1 28 28 LYS N N 15 117.963 0.037 . 1 . . . . 28 K N . 16873 2
129 . 1 1 28 28 LYS NZ N 15 32.714 0.000 . 1 . . . . 28 K NZ . 16873 2
130 . 1 1 29 29 VAL C C 13 179.520 0.000 . 1 . . . . 29 V C . 16873 2
131 . 1 1 29 29 VAL CA C 13 66.246 0.038 . 1 . . . . 29 V CA . 16873 2
132 . 1 1 29 29 VAL CB C 13 31.804 0.021 . 1 . . . . 29 V CB . 16873 2
133 . 1 1 29 29 VAL CG1 C 13 22.380 0.003 . 2 . . . . 29 V CG1 . 16873 2
134 . 1 1 29 29 VAL CG2 C 13 20.922 0.000 . 2 . . . . 29 V CG2 . 16873 2
135 . 1 1 30 30 PHE CA C 13 57.543 0.061 . 1 . . . . 30 F CA . 16873 2
136 . 1 1 30 30 PHE CB C 13 37.639 0.078 . 1 . . . . 30 F CB . 16873 2
137 . 1 1 31 31 LYS C C 13 180.407 0.000 . 1 . . . . 31 K C . 16873 2
138 . 1 1 31 31 LYS CA C 13 60.125 0.067 . 1 . . . . 31 K CA . 16873 2
139 . 1 1 31 31 LYS CB C 13 32.156 0.027 . 1 . . . . 31 K CB . 16873 2
140 . 1 1 31 31 LYS CD C 13 25.715 0.011 . 1 . . . . 31 K CD . 16873 2
141 . 1 1 31 31 LYS CE C 13 41.206 0.000 . 1 . . . . 31 K CE . 16873 2
142 . 1 1 31 31 LYS CG C 13 27.840 0.027 . 1 . . . . 31 K CG . 16873 2
143 . 1 1 31 31 LYS NZ N 15 32.712 0.044 . 1 . . . . 31 K NZ . 16873 2
144 . 1 1 32 32 GLN C C 13 177.484 0.066 . 1 . . . . 32 Q C . 16873 2
145 . 1 1 32 32 GLN CA C 13 59.077 0.064 . 1 . . . . 32 Q CA . 16873 2
146 . 1 1 32 32 GLN CB C 13 28.915 0.075 . 1 . . . . 32 Q CB . 16873 2
147 . 1 1 32 32 GLN CD C 13 180.133 0.055 . 1 . . . . 32 Q CD . 16873 2
148 . 1 1 32 32 GLN CG C 13 34.316 0.070 . 1 . . . . 32 Q CG . 16873 2
149 . 1 1 32 32 GLN N N 15 120.105 0.052 . 1 . . . . 32 Q N . 16873 2
150 . 1 1 33 33 TYR C C 13 178.529 0.048 . 1 . . . . 33 Y C . 16873 2
151 . 1 1 33 33 TYR CA C 13 61.603 0.019 . 1 . . . . 33 Y CA . 16873 2
152 . 1 1 33 33 TYR CB C 13 42.324 0.205 . 1 . . . . 33 Y CB . 16873 2
153 . 1 1 33 33 TYR N N 15 120.544 0.128 . 1 . . . . 33 Y N . 16873 2
154 . 1 1 34 34 ALA C C 13 179.784 0.000 . 1 . . . . 34 A C . 16873 2
155 . 1 1 34 34 ALA CA C 13 55.944 0.021 . 1 . . . . 34 A CA . 16873 2
156 . 1 1 34 34 ALA CB C 13 17.733 0.053 . 1 . . . . 34 A CB . 16873 2
157 . 1 1 34 34 ALA N N 15 121.466 0.042 . 1 . . . . 34 A N . 16873 2
158 . 1 1 35 35 ASN C C 13 178.204 0.069 . 1 . . . . 35 N C . 16873 2
159 . 1 1 35 35 ASN CA C 13 57.616 0.048 . 1 . . . . 35 N CA . 16873 2
160 . 1 1 35 35 ASN CB C 13 40.021 0.046 . 1 . . . . 35 N CB . 16873 2
161 . 1 1 35 35 ASN CG C 13 176.918 0.063 . 1 . . . . 35 N CG . 16873 2
162 . 1 1 35 35 ASN N N 15 117.399 0.039 . 1 . . . . 35 N N . 16873 2
163 . 1 1 36 36 ASP CA C 13 55.000 0.040 . 1 . . . . 36 D CA . 16873 2
164 . 1 1 36 36 ASP CB C 13 36.993 0.066 . 1 . . . . 36 D CB . 16873 2
165 . 1 1 36 36 ASP CG C 13 175.628 0.080 . 1 . . . . 36 D CG . 16873 2
166 . 1 1 36 36 ASP N N 15 116.274 0.072 . 1 . . . . 36 D N . 16873 2
167 . 1 1 37 37 ASN C C 13 174.413 0.076 . 1 . . . . 37 N C . 16873 2
168 . 1 1 37 37 ASN CA C 13 53.250 0.038 . 1 . . . . 37 N CA . 16873 2
169 . 1 1 37 37 ASN CB C 13 40.262 0.057 . 1 . . . . 37 N CB . 16873 2
170 . 1 1 37 37 ASN CG C 13 177.476 0.094 . 1 . . . . 37 N CG . 16873 2
171 . 1 1 37 37 ASN N N 15 114.999 0.034 . 1 . . . . 37 N N . 16873 2
172 . 1 1 38 38 GLY C C 13 174.102 0.039 . 1 . . . . 38 G C . 16873 2
173 . 1 1 38 38 GLY CA C 13 46.519 0.022 . 1 . . . . 38 G CA . 16873 2
174 . 1 1 38 38 GLY N N 15 107.417 0.035 . 1 . . . . 38 G N . 16873 2
175 . 1 1 39 39 VAL CA C 13 61.877 0.066 . 1 . . . . 39 V CA . 16873 2
176 . 1 1 39 39 VAL CB C 13 32.238 0.008 . 1 . . . . 39 V CB . 16873 2
177 . 1 1 40 40 ASP C C 13 174.806 0.148 . 1 . . . . 40 D C . 16873 2
178 . 1 1 40 40 ASP CA C 13 52.172 0.014 . 1 . . . . 40 D CA . 16873 2
179 . 1 1 40 40 ASP CG C 13 178.770 0.000 . 1 . . . . 40 D CG . 16873 2
180 . 1 1 40 40 ASP N N 15 129.022 0.002 . 1 . . . . 40 D N . 16873 2
181 . 1 1 41 41 GLY C C 13 172.221 0.060 . 1 . . . . 41 G C . 16873 2
182 . 1 1 41 41 GLY CA C 13 45.340 0.023 . 1 . . . . 41 G CA . 16873 2
183 . 1 1 41 41 GLY N N 15 107.583 0.164 . 1 . . . . 41 G N . 16873 2
184 . 1 1 42 42 GLU C C 13 176.857 0.149 . 1 . . . . 42 E C . 16873 2
185 . 1 1 42 42 GLU CA C 13 54.657 0.067 . 1 . . . . 42 E CA . 16873 2
186 . 1 1 42 42 GLU CB C 13 30.307 0.018 . 1 . . . . 42 E CB . 16873 2
187 . 1 1 42 42 GLU CD C 13 178.822 0.102 . 1 . . . . 42 E CD . 16873 2
188 . 1 1 42 42 GLU CG C 13 33.397 0.017 . 1 . . . . 42 E CG . 16873 2
189 . 1 1 42 42 GLU N N 15 118.931 0.067 . 1 . . . . 42 E N . 16873 2
190 . 1 1 43 43 TRP C C 13 178.450 0.037 . 1 . . . . 43 W C . 16873 2
191 . 1 1 43 43 TRP CA C 13 57.436 0.089 . 1 . . . . 43 W CA . 16873 2
192 . 1 1 43 43 TRP CB C 13 33.279 0.048 . 1 . . . . 43 W CB . 16873 2
193 . 1 1 43 43 TRP N N 15 125.083 0.045 . 1 . . . . 43 W N . 16873 2
194 . 1 1 44 44 THR CB C 13 72.141 0.000 . 1 . . . . 44 T CB . 16873 2
195 . 1 1 44 44 THR CG2 C 13 20.920 0.000 . 1 . . . . 44 T CG2 . 16873 2
196 . 1 1 46 46 ASP C C 13 175.885 0.318 . 1 . . . . 46 D C . 16873 2
197 . 1 1 46 46 ASP CA C 13 50.619 0.084 . 1 . . . . 46 D CA . 16873 2
198 . 1 1 46 46 ASP CB C 13 41.685 0.046 . 1 . . . . 46 D CB . 16873 2
199 . 1 1 46 46 ASP CG C 13 179.619 0.046 . 1 . . . . 46 D CG . 16873 2
200 . 1 1 46 46 ASP N N 15 126.350 0.024 . 1 . . . . 46 D N . 16873 2
201 . 1 1 47 47 ASP C C 13 177.231 0.127 . 1 . . . . 47 D C . 16873 2
202 . 1 1 47 47 ASP CA C 13 54.790 0.089 . 1 . . . . 47 D CA . 16873 2
203 . 1 1 47 47 ASP CB C 13 42.639 0.099 . 1 . . . . 47 D CB . 16873 2
204 . 1 1 47 47 ASP CG C 13 179.272 0.095 . 1 . . . . 47 D CG . 16873 2
205 . 1 1 47 47 ASP N N 15 122.570 0.069 . 1 . . . . 47 D N . 16873 2
206 . 1 1 48 48 ALA C C 13 179.056 0.000 . 1 . . . . 48 A C . 16873 2
207 . 1 1 48 48 ALA CA C 13 53.702 0.014 . 1 . . . . 48 A CA . 16873 2
208 . 1 1 48 48 ALA CB C 13 19.122 0.018 . 1 . . . . 48 A CB . 16873 2
209 . 1 1 48 48 ALA N N 15 118.061 0.075 . 1 . . . . 48 A N . 16873 2
210 . 1 1 49 49 THR C C 13 176.342 0.000 . 1 . . . . 49 T C . 16873 2
211 . 1 1 49 49 THR CA C 13 59.511 0.000 . 1 . . . . 49 T CA . 16873 2
212 . 1 1 49 49 THR CB C 13 69.962 0.000 . 1 . . . . 49 T CB . 16873 2
213 . 1 1 49 49 THR CG2 C 13 21.569 0.000 . 1 . . . . 49 T CG2 . 16873 2
214 . 1 1 50 50 LYS CA C 13 55.419 0.053 . 1 . . . . 50 K CA . 16873 2
215 . 1 1 50 50 LYS CB C 13 27.686 0.140 . 1 . . . . 50 K CB . 16873 2
216 . 1 1 50 50 LYS CE C 13 43.731 0.000 . 1 . . . . 50 K CE . 16873 2
217 . 1 1 50 50 LYS CG C 13 24.301 0.079 . 1 . . . . 50 K CG . 16873 2
218 . 1 1 50 50 LYS NZ N 15 34.034 0.013 . 1 . . . . 50 K NZ* . 16873 2
219 . 1 1 51 51 THR CA C 13 62.482 0.061 . 1 . . . . 51 T CA . 16873 2
220 . 1 1 51 51 THR CB C 13 72.257 0.030 . 1 . . . . 51 T CB . 16873 2
221 . 1 1 51 51 THR CG2 C 13 21.032 0.182 . 1 . . . . 51 T CG2 . 16873 2
222 . 1 1 52 52 PHE C C 13 175.654 0.100 . 1 . . . . 52 F C . 16873 2
223 . 1 1 52 52 PHE CA C 13 56.786 0.045 . 1 . . . . 52 F CA . 16873 2
224 . 1 1 52 52 PHE CB C 13 42.907 0.013 . 1 . . . . 52 F CB . 16873 2
225 . 1 1 52 52 PHE N N 15 130.573 0.033 . 1 . . . . 52 F N . 16873 2
226 . 1 1 54 54 VAL C C 13 172.425 0.041 . 1 . . . . 54 V C . 16873 2
227 . 1 1 54 54 VAL CA C 13 58.089 0.070 . 1 . . . . 54 V CA . 16873 2
228 . 1 1 54 54 VAL CB C 13 32.381 0.062 . 1 . . . . 54 V CB . 16873 2
229 . 1 1 54 54 VAL CG1 C 13 21.709 0.012 . 2 . . . . 54 V CG1 . 16873 2
230 . 1 1 54 54 VAL CG2 C 13 19.686 0.011 . 2 . . . . 54 V CG2 . 16873 2
231 . 1 1 55 55 THR CA C 13 60.913 0.000 . 1 . . . . 55 T CA . 16873 2
232 . 1 1 55 55 THR CB C 13 71.971 0.000 . 1 . . . . 55 T CB . 16873 2
233 . 1 1 56 56 GLU C C 13 179.619 0.040 . 1 . . . . 56 E C . 16873 2
234 . 1 1 56 56 GLU CA C 13 57.502 0.163 . 1 . . . . 56 E CA . 16873 2
235 . 1 1 56 56 GLU CB C 13 32.975 0.306 . 1 . . . . 56 E CB . 16873 2
236 . 1 1 56 56 GLU CD C 13 182.813 0.079 . 1 . . . . 56 E CD . 16873 2
237 . 1 1 56 56 GLU CG C 13 37.581 0.137 . 1 . . . . 56 E CG . 16873 2
238 . 1 1 56 56 GLU N N 15 131.063 0.054 . 1 . . . . 56 E N . 16873 2
stop_
save_