Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 27120
_Assigned_chem_shift_list.ID 1
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.05
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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' . . . 27120 1
2 '3D CBCA(CO)NH' . . . 27120 1
3 '3D HNCO' . . . 27120 1
4 '3D HNCACB' . . . 27120 1
5 '3D HN(CA)CO' . . . 27120 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 $CcpNmr_Analysis . . 27120 1
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.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 1 1 CYS H H 1 8.415 0.003 . 1 . . 35 . . 1 CYS H . 27120 1
2 . 1 1 1 1 CYS C C 13 174.308 0.006 . 1 . . 153 . . 1 CYS C . 27120 1
3 . 1 1 1 1 CYS CA C 13 58.528 0.001 . 1 . . 152 . . 1 CYS CA . 27120 1
4 . 1 1 1 1 CYS CB C 13 27.587 0.066 . 1 . . 151 . . 1 CYS CB . 27120 1
5 . 1 1 1 1 CYS N N 15 119.797 0.044 . 1 . . 36 . . 1 CYS N . 27120 1
6 . 1 1 2 2 TRP H H 1 8.238 0.005 . 1 . . 128 . . 2 TRP H . 27120 1
7 . 1 1 2 2 TRP HE1 H 1 10.226 . . 1 . . 105 . . 2 TRP HE1 . 27120 1
8 . 1 1 2 2 TRP C C 13 176.126 0.024 . 1 . . 156 . . 2 TRP C . 27120 1
9 . 1 1 2 2 TRP CA C 13 57.607 0.011 . 1 . . 155 . . 2 TRP CA . 27120 1
10 . 1 1 2 2 TRP CB C 13 29.304 0.042 . 1 . . 154 . . 2 TRP CB . 27120 1
11 . 1 1 2 2 TRP N N 15 123.572 0.035 . 1 . . 129 . . 2 TRP N . 27120 1
12 . 1 1 2 2 TRP NE1 N 15 129.734 . . 1 . . 106 . . 2 TRP NE1 . 27120 1
13 . 1 1 3 3 GLU H H 1 8.183 0.01 . 1 . . 124 . . 3 GLU H . 27120 1
14 . 1 1 3 3 GLU C C 13 176.298 0.051 . 1 . . 159 . . 3 GLU C . 27120 1
15 . 1 1 3 3 GLU CA C 13 56.475 0.014 . 1 . . 158 . . 3 GLU CA . 27120 1
16 . 1 1 3 3 GLU CB C 13 30.268 0.053 . 1 . . 157 . . 3 GLU CB . 27120 1
17 . 1 1 3 3 GLU N N 15 123.828 0.037 . 1 . . 125 . . 3 GLU N . 27120 1
18 . 1 1 4 4 GLY H H 1 7.776 0.01 . 1 . . 37 . . 4 GLY H . 27120 1
19 . 1 1 4 4 GLY C C 13 173.625 0.039 . 1 . . 161 . . 4 GLY C . 27120 1
20 . 1 1 4 4 GLY CA C 13 45.053 0.039 . 1 . . 160 . . 4 GLY CA . 27120 1
21 . 1 1 4 4 GLY N N 15 109.687 0.061 . 1 . . 38 . . 4 GLY N . 27120 1
22 . 1 1 5 5 ALA H H 1 8.083 0.001 . 1 . . 101 . . 5 ALA H . 27120 1
23 . 1 1 5 5 ALA C C 13 177.767 0.018 . 1 . . 164 . . 5 ALA C . 27120 1
24 . 1 1 5 5 ALA CA C 13 52.105 0.029 . 1 . . 163 . . 5 ALA CA . 27120 1
25 . 1 1 5 5 ALA CB C 13 19.533 0.039 . 1 . . 162 . . 5 ALA CB . 27120 1
26 . 1 1 5 5 ALA N N 15 123.708 0.019 . 1 . . 102 . . 5 ALA N . 27120 1
27 . 1 1 6 6 ALA H H 1 8.455 0.005 . 1 . . 7 . . 6 ALA H . 27120 1
28 . 1 1 6 6 ALA C C 13 177.846 0.037 . 1 . . 166 . . 6 ALA C . 27120 1
29 . 1 1 6 6 ALA CA C 13 53.018 0.019 . 1 . . 165 . . 6 ALA CA . 27120 1
30 . 1 1 6 6 ALA CB C 13 18.861 0.077 . 1 . . 167 . . 6 ALA CB . 27120 1
31 . 1 1 6 6 ALA N N 15 123.093 0.027 . 1 . . 8 . . 6 ALA N . 27120 1
32 . 1 1 7 7 ASN H H 1 8.458 0.006 . 1 . . 43 . . 7 ASN H . 27120 1
33 . 1 1 7 7 ASN C C 13 174.207 0.018 . 1 . . 170 . . 7 ASN C . 27120 1
34 . 1 1 7 7 ASN CA C 13 52.865 0.101 . 1 . . 169 . . 7 ASN CA . 27120 1
35 . 1 1 7 7 ASN CB C 13 37.999 0.068 . 1 . . 168 . . 7 ASN CB . 27120 1
36 . 1 1 7 7 ASN N N 15 115.837 0.015 . 1 . . 44 . . 7 ASN N . 27120 1
37 . 1 1 8 8 GLN H H 1 7.823 0.003 . 1 . . 65 . . 8 GLN H . 27120 1
38 . 1 1 8 8 GLN C C 13 175.523 0.026 . 1 . . 173 . . 8 GLN C . 27120 1
39 . 1 1 8 8 GLN CA C 13 55.689 0.006 . 1 . . 172 . . 8 GLN CA . 27120 1
40 . 1 1 8 8 GLN CB C 13 29.739 0.042 . 1 . . 171 . . 8 GLN CB . 27120 1
41 . 1 1 8 8 GLN N N 15 118.520 0.032 . 1 . . 66 . . 8 GLN N . 27120 1
42 . 1 1 9 9 ALA H H 1 8.982 0.006 . 1 . . 118 . . 9 ALA H . 27120 1
43 . 1 1 9 9 ALA C C 13 178.048 0.005 . 1 . . 176 . . 9 ALA C . 27120 1
44 . 1 1 9 9 ALA CA C 13 51.885 0.027 . 1 . . 175 . . 9 ALA CA . 27120 1
45 . 1 1 9 9 ALA CB C 13 19.863 0.018 . 1 . . 174 . . 9 ALA CB . 27120 1
46 . 1 1 9 9 ALA N N 15 129.073 0.049 . 1 . . 119 . . 9 ALA N . 27120 1
47 . 1 1 10 10 SER H H 1 9.137 0.007 . 1 . . 47 . . 10 SER H . 27120 1
48 . 1 1 10 10 SER C C 13 171.528 0.068 . 1 . . 179 . . 10 SER C . 27120 1
49 . 1 1 10 10 SER CA C 13 57.698 0.003 . 1 . . 178 . . 10 SER CA . 27120 1
50 . 1 1 10 10 SER CB C 13 66.600 0.029 . 1 . . 177 . . 10 SER CB . 27120 1
51 . 1 1 10 10 SER N N 15 119.066 0.036 . 1 . . 48 . . 10 SER N . 27120 1
52 . 1 1 11 11 VAL H H 1 8.149 0.005 . 1 . . 29 . . 11 VAL H . 27120 1
53 . 1 1 11 11 VAL C C 13 174.354 0.034 . 1 . . 182 . . 11 VAL C . 27120 1
54 . 1 1 11 11 VAL CA C 13 63.071 0.04 . 1 . . 181 . . 11 VAL CA . 27120 1
55 . 1 1 11 11 VAL CB C 13 31.870 0.082 . 1 . . 180 . . 11 VAL CB . 27120 1
56 . 1 1 11 11 VAL N N 15 121.199 0.027 . 1 . . 30 . . 11 VAL N . 27120 1
57 . 1 1 12 12 VAL H H 1 9.042 0.005 . 1 . . 51 . . 12 VAL H . 27120 1
58 . 1 1 12 12 VAL C C 13 175.280 0.033 . 1 . . 185 . . 12 VAL C . 27120 1
59 . 1 1 12 12 VAL CA C 13 59.809 0.023 . 1 . . 184 . . 12 VAL CA . 27120 1
60 . 1 1 12 12 VAL CB C 13 35.753 0.042 . 1 . . 183 . . 12 VAL CB . 27120 1
61 . 1 1 12 12 VAL N N 15 127.515 0.068 . 1 . . 52 . . 12 VAL N . 27120 1
62 . 1 1 13 13 ALA H H 1 8.357 0.004 . 1 . . 85 . . 13 ALA H . 27120 1
63 . 1 1 13 13 ALA C C 13 177.924 0.042 . 1 . . 188 . . 13 ALA C . 27120 1
64 . 1 1 13 13 ALA CA C 13 52.867 0.007 . 1 . . 187 . . 13 ALA CA . 27120 1
65 . 1 1 13 13 ALA CB C 13 19.292 0.027 . 1 . . 186 . . 13 ALA CB . 27120 1
66 . 1 1 13 13 ALA N N 15 127.358 0.038 . 1 . . 86 . . 13 ALA N . 27120 1
67 . 1 1 14 14 ASN H H 1 9.053 0.002 . 1 . . 69 . . 14 ASN H . 27120 1
68 . 1 1 14 14 ASN C C 13 173.100 0.027 . 1 . . 191 . . 14 ASN C . 27120 1
69 . 1 1 14 14 ASN CA C 13 52.083 0.021 . 1 . . 190 . . 14 ASN CA . 27120 1
70 . 1 1 14 14 ASN CB C 13 40.647 0.047 . 1 . . 189 . . 14 ASN CB . 27120 1
71 . 1 1 14 14 ASN N N 15 124.368 0.036 . 1 . . 70 . . 14 ASN N . 27120 1
72 . 1 1 15 15 GLN H H 1 7.798 0.003 . 1 . . 132 . . 15 GLN H . 27120 1
73 . 1 1 15 15 GLN C C 13 172.667 0.022 . 1 . . 194 . . 15 GLN C . 27120 1
74 . 1 1 15 15 GLN CA C 13 53.151 0.025 . 1 . . 193 . . 15 GLN CA . 27120 1
75 . 1 1 15 15 GLN CB C 13 32.743 0.019 . 1 . . 192 . . 15 GLN CB . 27120 1
76 . 1 1 15 15 GLN N N 15 111.771 0.019 . 1 . . 133 . . 15 GLN N . 27120 1
77 . 1 1 16 16 LEU H H 1 8.392 0.001 . 1 . . 21 . . 16 LEU H . 27120 1
78 . 1 1 16 16 LEU C C 13 177.144 0.002 . 1 . . 197 . . 16 LEU C . 27120 1
79 . 1 1 16 16 LEU CA C 13 56.026 0.04 . 1 . . 196 . . 16 LEU CA . 27120 1
80 . 1 1 16 16 LEU CB C 13 40.856 0.06 . 1 . . 195 . . 16 LEU CB . 27120 1
81 . 1 1 16 16 LEU N N 15 120.120 0.035 . 1 . . 22 . . 16 LEU N . 27120 1
82 . 1 1 17 17 ILE H H 1 9.270 0.004 . 1 . . 61 . . 17 ILE H . 27120 1
83 . 1 1 17 17 ILE C C 13 173.053 . . 1 . . 200 . . 17 ILE C . 27120 1
84 . 1 1 17 17 ILE CA C 13 59.066 . . 1 . . 199 . . 17 ILE CA . 27120 1
85 . 1 1 17 17 ILE CB C 13 39.604 . . 1 . . 198 . . 17 ILE CB . 27120 1
86 . 1 1 17 17 ILE N N 15 133.259 0.02 . 1 . . 62 . . 17 ILE N . 27120 1
87 . 1 1 18 18 PRO C C 13 176.699 . . 1 . . 350 . . 18 PRO C . 27120 1
88 . 1 1 18 18 PRO CA C 13 61.836 . . 1 . . 348 . . 18 PRO CA . 27120 1
89 . 1 1 18 18 PRO CB C 13 32.486 . . 1 . . 347 . . 18 PRO CB . 27120 1
90 . 1 1 19 19 ILE H H 1 8.410 0.003 . 1 . . 59 . . 19 ILE H . 27120 1
91 . 1 1 19 19 ILE C C 13 173.361 0.016 . 1 . . 349 . . 19 ILE C . 27120 1
92 . 1 1 19 19 ILE CA C 13 63.634 0.009 . 1 . . 345 . . 19 ILE CA . 27120 1
93 . 1 1 19 19 ILE CB C 13 38.706 0.085 . 1 . . 346 . . 19 ILE CB . 27120 1
94 . 1 1 19 19 ILE N N 15 121.579 0.02 . 1 . . 60 . . 19 ILE N . 27120 1
95 . 1 1 20 20 ASN H H 1 7.313 0.002 . 1 . . 93 . . 20 ASN H . 27120 1
96 . 1 1 20 20 ASN C C 13 173.914 0.086 . 1 . . 246 . . 20 ASN C . 27120 1
97 . 1 1 20 20 ASN CA C 13 55.388 0.076 . 1 . . 244 . . 20 ASN CA . 27120 1
98 . 1 1 20 20 ASN CB C 13 36.977 0.032 . 1 . . 245 . . 20 ASN CB . 27120 1
99 . 1 1 20 20 ASN N N 15 116.865 0.049 . 1 . . 94 . . 20 ASN N . 27120 1
100 . 1 1 21 21 THR H H 1 7.413 0.003 . 1 . . 97 . . 21 THR H . 27120 1
101 . 1 1 21 21 THR C C 13 172.982 0.036 . 1 . . 206 . . 21 THR C . 27120 1
102 . 1 1 21 21 THR CA C 13 64.334 0.004 . 1 . . 203 . . 21 THR CA . 27120 1
103 . 1 1 21 21 THR CB C 13 69.342 0.078 . 1 . . 204 . . 21 THR CB . 27120 1
104 . 1 1 21 21 THR N N 15 116.933 0.029 . 1 . . 98 . . 21 THR N . 27120 1
105 . 1 1 22 22 ALA H H 1 8.475 0.003 . 1 . . 99 . . 22 ALA H . 27120 1
106 . 1 1 22 22 ALA C C 13 176.523 0.031 . 1 . . 205 . . 22 ALA C . 27120 1
107 . 1 1 22 22 ALA CA C 13 50.632 0.019 . 1 . . 202 . . 22 ALA CA . 27120 1
108 . 1 1 22 22 ALA CB C 13 18.610 0.07 . 1 . . 201 . . 22 ALA CB . 27120 1
109 . 1 1 22 22 ALA N N 15 127.869 0.019 . 1 . . 100 . . 22 ALA N . 27120 1
110 . 1 1 23 23 LEU H H 1 9.110 0.002 . 1 . . 27 . . 23 LEU H . 27120 1
111 . 1 1 23 23 LEU C C 13 178.884 0.013 . 1 . . 209 . . 23 LEU C . 27120 1
112 . 1 1 23 23 LEU CA C 13 55.909 0.029 . 1 . . 208 . . 23 LEU CA . 27120 1
113 . 1 1 23 23 LEU CB C 13 42.604 0.094 . 1 . . 207 . . 23 LEU CB . 27120 1
114 . 1 1 23 23 LEU N N 15 124.989 0.029 . 1 . . 28 . . 23 LEU N . 27120 1
115 . 1 1 24 24 THR H H 1 7.970 0.003 . 1 . . 91 . . 24 THR H . 27120 1
116 . 1 1 24 24 THR C C 13 175.311 0.007 . 1 . . 212 . . 24 THR C . 27120 1
117 . 1 1 24 24 THR CA C 13 58.936 0.003 . 1 . . 211 . . 24 THR CA . 27120 1
118 . 1 1 24 24 THR CB C 13 71.015 0.01 . 1 . . 210 . . 24 THR CB . 27120 1
119 . 1 1 24 24 THR N N 15 113.287 0.015 . 1 . . 92 . . 24 THR N . 27120 1
120 . 1 1 25 25 LEU H H 1 8.864 0.003 . 1 . . 5 . . 25 LEU H . 27120 1
121 . 1 1 25 25 LEU C C 13 179.711 0.023 . 1 . . 215 . . 25 LEU C . 27120 1
122 . 1 1 25 25 LEU CA C 13 58.704 0.081 . 1 . . 214 . . 25 LEU CA . 27120 1
123 . 1 1 25 25 LEU CB C 13 42.026 0.062 . 1 . . 213 . . 25 LEU CB . 27120 1
124 . 1 1 25 25 LEU N N 15 120.273 0.026 . 1 . . 6 . . 25 LEU N . 27120 1
125 . 1 1 26 26 VAL H H 1 7.505 0.002 . 1 . . 216 . . 26 VAL H . 27120 1
126 . 1 1 26 26 VAL C C 13 176.826 0.021 . 1 . . 219 . . 26 VAL C . 27120 1
127 . 1 1 26 26 VAL CA C 13 63.426 0.018 . 1 . . 218 . . 26 VAL CA . 27120 1
128 . 1 1 26 26 VAL CB C 13 31.332 0.069 . 1 . . 217 . . 26 VAL CB . 27120 1
129 . 1 1 26 26 VAL N N 15 110.738 0.024 . 1 . . 111 . . 26 VAL N . 27120 1
130 . 1 1 27 27 MET H H 1 7.577 0.003 . 1 . . 41 . . 27 MET H . 27120 1
131 . 1 1 27 27 MET C C 13 175.438 0.01 . 1 . . 222 . . 27 MET C . 27120 1
132 . 1 1 27 27 MET CA C 13 57.936 0.014 . 1 . . 221 . . 27 MET CA . 27120 1
133 . 1 1 27 27 MET CB C 13 32.989 0.023 . 1 . . 220 . . 27 MET CB . 27120 1
134 . 1 1 27 27 MET N N 15 117.115 0.017 . 1 . . 42 . . 27 MET N . 27120 1
135 . 1 1 28 28 MET H H 1 7.657 0.003 . 1 . . 17 . . 28 MET H . 27120 1
136 . 1 1 28 28 MET C C 13 173.647 0.009 . 1 . . 225 . . 28 MET C . 27120 1
137 . 1 1 28 28 MET CA C 13 55.282 0.012 . 1 . . 224 . . 28 MET CA . 27120 1
138 . 1 1 28 28 MET CB C 13 38.295 0.077 . 1 . . 223 . . 28 MET CB . 27120 1
139 . 1 1 28 28 MET N N 15 117.516 0.014 . 1 . . 18 . . 28 MET N . 27120 1
140 . 1 1 29 29 ARG H H 1 9.071 0.005 . 1 . . 11 . . 29 ARG H . 27120 1
141 . 1 1 29 29 ARG C C 13 173.069 0.042 . 1 . . 228 . . 29 ARG C . 27120 1
142 . 1 1 29 29 ARG CA C 13 53.847 0.091 . 1 . . 227 . . 29 ARG CA . 27120 1
143 . 1 1 29 29 ARG CB C 13 33.084 0.027 . 1 . . 226 . . 29 ARG CB . 27120 1
144 . 1 1 29 29 ARG N N 15 119.833 0.022 . 1 . . 12 . . 29 ARG N . 27120 1
145 . 1 1 30 30 SER H H 1 8.317 0.004 . 1 . . 89 . . 30 SER H . 27120 1
146 . 1 1 30 30 SER C C 13 174.741 0.037 . 1 . . 231 . . 30 SER C . 27120 1
147 . 1 1 30 30 SER CA C 13 55.853 0.04 . 1 . . 230 . . 30 SER CA . 27120 1
148 . 1 1 30 30 SER CB C 13 64.328 0.016 . 1 . . 229 . . 30 SER CB . 27120 1
149 . 1 1 30 30 SER N N 15 114.520 0.081 . 1 . . 90 . . 30 SER N . 27120 1
150 . 1 1 31 31 GLU H H 1 8.995 0.005 . 1 . . 55 . . 31 GLU H . 27120 1
151 . 1 1 31 31 GLU C C 13 174.711 0.026 . 1 . . 234 . . 31 GLU C . 27120 1
152 . 1 1 31 31 GLU CA C 13 55.599 0.023 . 1 . . 233 . . 31 GLU CA . 27120 1
153 . 1 1 31 31 GLU CB C 13 34.846 0.019 . 1 . . 232 . . 31 GLU CB . 27120 1
154 . 1 1 31 31 GLU N N 15 124.671 0.025 . 1 . . 56 . . 31 GLU N . 27120 1
155 . 1 1 32 32 VAL H H 1 9.081 0.005 . 1 . . 120 . . 32 VAL H . 27120 1
156 . 1 1 32 32 VAL C C 13 174.679 . . 1 . . 237 . . 32 VAL C . 27120 1
157 . 1 1 32 32 VAL CA C 13 64.197 0.01 . 1 . . 236 . . 32 VAL CA . 27120 1
158 . 1 1 32 32 VAL CB C 13 29.904 0.01 . 1 . . 235 . . 32 VAL CB . 27120 1
159 . 1 1 32 32 VAL N N 15 126.314 0.041 . 1 . . 121 . . 32 VAL N . 27120 1
160 . 1 1 33 33 VAL H H 1 8.227 0.002 . 1 . . 45 . . 33 VAL H . 27120 1
161 . 1 1 33 33 VAL C C 13 175.396 . . 1 . . 240 . . 33 VAL C . 27120 1
162 . 1 1 33 33 VAL CA C 13 59.266 0.023 . 1 . . 239 . . 33 VAL CA . 27120 1
163 . 1 1 33 33 VAL CB C 13 36.072 0.014 . 1 . . 238 . . 33 VAL CB . 27120 1
164 . 1 1 33 33 VAL N N 15 122.999 0.021 . 1 . . 46 . . 33 VAL N . 27120 1
165 . 1 1 34 34 THR H H 1 8.354 0.005 . 1 . . 71 . . 34 THR H . 27120 1
166 . 1 1 34 34 THR C C 13 172.436 . . 1 . . 243 . . 34 THR C . 27120 1
167 . 1 1 34 34 THR CA C 13 58.923 . . 1 . . 242 . . 34 THR CA . 27120 1
168 . 1 1 34 34 THR CB C 13 71.216 . . 1 . . 241 . . 34 THR CB . 27120 1
169 . 1 1 34 34 THR N N 15 116.789 0.035 . 1 . . 72 . . 34 THR N . 27120 1
170 . 1 1 35 35 PRO C C 13 176.024 . . 1 . . 351 . . 35 PRO C . 27120 1
171 . 1 1 35 35 PRO CA C 13 62.402 . . 1 . . 352 . . 35 PRO CA . 27120 1
172 . 1 1 35 35 PRO CB C 13 34.614 . . 1 . . 329 . . 35 PRO CB . 27120 1
173 . 1 1 36 36 VAL H H 1 8.276 0.003 . 1 . . 49 . . 36 VAL H . 27120 1
174 . 1 1 36 36 VAL C C 13 176.128 0.025 . 1 . . 287 . . 36 VAL C . 27120 1
175 . 1 1 36 36 VAL CA C 13 62.354 0.032 . 1 . . 286 . . 36 VAL CA . 27120 1
176 . 1 1 36 36 VAL CB C 13 32.006 0.002 . 1 . . 285 . . 36 VAL CB . 27120 1
177 . 1 1 36 36 VAL N N 15 116.980 0.059 . 1 . . 50 . . 36 VAL N . 27120 1
178 . 1 1 37 37 GLY H H 1 8.314 0.006 . 1 . . 75 . . 37 GLY H . 27120 1
179 . 1 1 37 37 GLY C C 13 174.443 0.014 . 1 . . 284 . . 37 GLY C . 27120 1
180 . 1 1 37 37 GLY CA C 13 45.047 0.07 . 1 . . 283 . . 37 GLY CA . 27120 1
181 . 1 1 37 37 GLY N N 15 111.071 0.032 . 1 . . 76 . . 37 GLY N . 27120 1
182 . 1 1 38 38 ILE H H 1 8.726 0.005 . 1 . . 1 . . 38 ILE H . 27120 1
183 . 1 1 38 38 ILE CA C 13 61.117 . . 1 . . 320 . . 38 ILE CA . 27120 1
184 . 1 1 38 38 ILE CB C 13 39.561 . . 1 . . 319 . . 38 ILE CB . 27120 1
185 . 1 1 38 38 ILE N N 15 128.190 0.048 . 1 . . 2 . . 38 ILE N . 27120 1
186 . 1 1 39 39 PRO C C 13 178.157 . . 1 . . 342 . . 39 PRO C . 27120 1
187 . 1 1 39 39 PRO CA C 13 62.904 . . 1 . . 343 . . 39 PRO CA . 27120 1
188 . 1 1 39 39 PRO CB C 13 32.515 . . 1 . . 344 . . 39 PRO CB . 27120 1
189 . 1 1 40 40 ALA H H 1 8.316 0.001 . 1 . . 39 . . 40 ALA H . 27120 1
190 . 1 1 40 40 ALA C C 13 179.832 0.016 . 1 . . 273 . . 40 ALA C . 27120 1
191 . 1 1 40 40 ALA CA C 13 54.557 0.034 . 1 . . 271 . . 40 ALA CA . 27120 1
192 . 1 1 40 40 ALA CB C 13 18.661 0.076 . 1 . . 272 . . 40 ALA CB . 27120 1
193 . 1 1 40 40 ALA N N 15 124.744 0.044 . 1 . . 40 . . 40 ALA N . 27120 1
194 . 1 1 41 41 GLU H H 1 9.155 0.014 . 1 . . 122 . . 41 GLU H . 27120 1
195 . 1 1 41 41 GLU C C 13 176.574 . . 1 . . 274 . . 41 GLU C . 27120 1
196 . 1 1 41 41 GLU CA C 13 58.836 0.013 . 1 . . 270 . . 41 GLU CA . 27120 1
197 . 1 1 41 41 GLU CB C 13 28.668 0.052 . 1 . . 269 . . 41 GLU CB . 27120 1
198 . 1 1 41 41 GLU N N 15 118.152 0.044 . 1 . . 123 . . 41 GLU N . 27120 1
199 . 1 1 42 42 ASP H H 1 8.194 0.003 . 1 . . 95 . . 42 ASP H . 27120 1
200 . 1 1 42 42 ASP C C 13 176.574 0.015 . 1 . . 277 . . 42 ASP C . 27120 1
201 . 1 1 42 42 ASP CA C 13 54.484 0.008 . 1 . . 276 . . 42 ASP CA . 27120 1
202 . 1 1 42 42 ASP CB C 13 40.547 0.023 . 1 . . 275 . . 42 ASP CB . 27120 1
203 . 1 1 42 42 ASP N N 15 117.810 0.04 . 1 . . 96 . . 42 ASP N . 27120 1
204 . 1 1 43 43 ILE H H 1 7.617 0.006 . 1 . . 81 . . 43 ILE H . 27120 1
205 . 1 1 43 43 ILE C C 13 174.224 . . 1 . . 280 . . 43 ILE C . 27120 1
206 . 1 1 43 43 ILE CA C 13 68.999 . . 1 . . 279 . . 43 ILE CA . 27120 1
207 . 1 1 43 43 ILE CB C 13 36.431 . . 1 . . 278 . . 43 ILE CB . 27120 1
208 . 1 1 43 43 ILE N N 15 121.280 0.019 . 1 . . 82 . . 43 ILE N . 27120 1
209 . 1 1 44 44 PRO C C 13 179.304 . . 1 . . 353 . . 44 PRO C . 27120 1
210 . 1 1 44 44 PRO CA C 13 65.777 . . 1 . . 338 . . 44 PRO CA . 27120 1
211 . 1 1 44 44 PRO CB C 13 30.826 . . 1 . . 337 . . 44 PRO CB . 27120 1
212 . 1 1 45 45 ARG H H 1 7.315 0.004 . 1 . . 15 . . 45 ARG H . 27120 1
213 . 1 1 45 45 ARG C C 13 176.095 0.016 . 1 . . 323 . . 45 ARG C . 27120 1
214 . 1 1 45 45 ARG CA C 13 57.102 0.026 . 1 . . 322 . . 45 ARG CA . 27120 1
215 . 1 1 45 45 ARG CB C 13 30.339 0.131 . 1 . . 321 . . 45 ARG CB . 27120 1
216 . 1 1 45 45 ARG N N 15 115.482 0.018 . 1 . . 16 . . 45 ARG N . 27120 1
217 . 1 1 46 46 LEU H H 1 7.754 0.004 . 1 . . 53 . . 46 LEU H . 27120 1
218 . 1 1 46 46 LEU C C 13 177.737 0.014 . 1 . . 326 . . 46 LEU C . 27120 1
219 . 1 1 46 46 LEU CA C 13 55.570 0.025 . 1 . . 325 . . 46 LEU CA . 27120 1
220 . 1 1 46 46 LEU CB C 13 42.587 0.045 . 1 . . 324 . . 46 LEU CB . 27120 1
221 . 1 1 46 46 LEU N N 15 118.944 0.038 . 1 . . 54 . . 46 LEU N . 27120 1
222 . 1 1 47 47 VAL H H 1 6.710 0.003 . 1 . . 107 . . 47 VAL H . 27120 1
223 . 1 1 47 47 VAL C C 13 177.849 0.034 . 1 . . 336 . . 47 VAL C . 27120 1
224 . 1 1 47 47 VAL CA C 13 65.219 0.027 . 1 . . 328 . . 47 VAL CA . 27120 1
225 . 1 1 47 47 VAL CB C 13 31.384 0.024 . 1 . . 327 . . 47 VAL CB . 27120 1
226 . 1 1 47 47 VAL N N 15 116.543 0.018 . 1 . . 108 . . 47 VAL N . 27120 1
227 . 1 1 48 48 SER H H 1 9.382 0.005 . 1 . . 67 . . 48 SER H . 27120 1
228 . 1 1 48 48 SER C C 13 173.897 . . 1 . . 341 . . 48 SER C . 27120 1
229 . 1 1 48 48 SER CA C 13 62.384 . . 1 . . 339 . . 48 SER CA . 27120 1
230 . 1 1 48 48 SER CB C 13 62.780 . . 1 . . 340 . . 48 SER CB . 27120 1
231 . 1 1 48 48 SER N N 15 121.856 0.023 . 1 . . 68 . . 48 SER N . 27120 1
232 . 1 1 49 49 MET H H 1 8.749 0.004 . 1 . . 116 . . 49 MET H . 27120 1
233 . 1 1 49 49 MET C C 13 175.033 0.022 . 1 . . 313 . . 49 MET C . 27120 1
234 . 1 1 49 49 MET CA C 13 56.971 0.003 . 1 . . 314 . . 49 MET CA . 27120 1
235 . 1 1 49 49 MET CB C 13 32.877 0.034 . 1 . . 315 . . 49 MET CB . 27120 1
236 . 1 1 49 49 MET N N 15 123.663 0.013 . 1 . . 117 . . 49 MET N . 27120 1
237 . 1 1 50 50 GLN H H 1 8.909 0.003 . 1 . . 77 . . 50 GLN H . 27120 1
238 . 1 1 50 50 GLN C C 13 177.007 0.005 . 1 . . 308 . . 50 GLN C . 27120 1
239 . 1 1 50 50 GLN CA C 13 54.295 0.024 . 1 . . 311 . . 50 GLN CA . 27120 1
240 . 1 1 50 50 GLN CB C 13 32.160 0.114 . 1 . . 312 . . 50 GLN CB . 27120 1
241 . 1 1 50 50 GLN N N 15 118.346 0.022 . 1 . . 78 . . 50 GLN N . 27120 1
242 . 1 1 51 51 VAL H H 1 7.492 0.003 . 1 . . 306 . . 51 VAL H . 27120 1
243 . 1 1 51 51 VAL C C 13 178.042 0.015 . 1 . . 305 . . 51 VAL C . 27120 1
244 . 1 1 51 51 VAL CA C 13 59.763 0.061 . 1 . . 304 . . 51 VAL CA . 27120 1
245 . 1 1 51 51 VAL CB C 13 33.319 0.051 . 1 . . 303 . . 51 VAL CB . 27120 1
246 . 1 1 51 51 VAL N N 15 111.081 0.035 . 1 . . 307 . . 51 VAL N . 27120 1
247 . 1 1 52 52 ASN H H 1 8.542 0.006 . 1 . . 112 . . 52 ASN H . 27120 1
248 . 1 1 52 52 ASN C C 13 174.565 0.052 . 1 . . 300 . . 52 ASN C . 27120 1
249 . 1 1 52 52 ASN CA C 13 51.771 0.032 . 1 . . 302 . . 52 ASN CA . 27120 1
250 . 1 1 52 52 ASN CB C 13 39.293 0.025 . 1 . . 301 . . 52 ASN CB . 27120 1
251 . 1 1 52 52 ASN N N 15 118.257 0.054 . 1 . . 113 . . 52 ASN N . 27120 1
252 . 1 1 53 53 ARG H H 1 7.802 0.003 . 1 . . 9 . . 53 ARG H . 27120 1
253 . 1 1 53 53 ARG C C 13 172.248 0.015 . 1 . . 251 . . 53 ARG C . 27120 1
254 . 1 1 53 53 ARG CA C 13 53.449 0.001 . 1 . . 249 . . 53 ARG CA . 27120 1
255 . 1 1 53 53 ARG CB C 13 31.835 0.063 . 1 . . 250 . . 53 ARG CB . 27120 1
256 . 1 1 53 53 ARG N N 15 114.528 0.026 . 1 . . 10 . . 53 ARG N . 27120 1
257 . 1 1 54 54 ALA H H 1 8.501 0.003 . 1 . . 87 . . 54 ALA H . 27120 1
258 . 1 1 54 54 ALA C C 13 178.617 0.012 . 1 . . 252 . . 54 ALA C . 27120 1
259 . 1 1 54 54 ALA CA C 13 51.869 0.033 . 1 . . 248 . . 54 ALA CA . 27120 1
260 . 1 1 54 54 ALA CB C 13 18.167 0.032 . 1 . . 247 . . 54 ALA CB . 27120 1
261 . 1 1 54 54 ALA N N 15 120.339 0.008 . 1 . . 88 . . 54 ALA N . 27120 1
262 . 1 1 55 55 VAL H H 1 9.264 0.005 . 1 . . 13 . . 55 VAL H . 27120 1
263 . 1 1 55 55 VAL C C 13 173.111 . . 1 . . 255 . . 55 VAL C . 27120 1
264 . 1 1 55 55 VAL CA C 13 59.522 . . 1 . . 254 . . 55 VAL CA . 27120 1
265 . 1 1 55 55 VAL CB C 13 33.789 . . 1 . . 253 . . 55 VAL CB . 27120 1
266 . 1 1 55 55 VAL N N 15 124.939 0.025 . 1 . . 14 . . 55 VAL N . 27120 1
267 . 1 1 56 56 PRO C C 13 176.299 . . 1 . . 335 . . 56 PRO C . 27120 1
268 . 1 1 56 56 PRO CA C 13 62.260 . . 1 . . 334 . . 56 PRO CA . 27120 1
269 . 1 1 56 56 PRO CB C 13 32.400 . . 1 . . 333 . . 56 PRO CB . 27120 1
270 . 1 1 57 57 LEU H H 1 8.207 0.001 . 1 . . 114 . . 57 LEU H . 27120 1
271 . 1 1 57 57 LEU C C 13 177.904 0.01 . 1 . . 260 . . 57 LEU C . 27120 1
272 . 1 1 57 57 LEU CA C 13 57.659 0.012 . 1 . . 259 . . 57 LEU CA . 27120 1
273 . 1 1 57 57 LEU CB C 13 42.557 0.046 . 1 . . 258 . . 57 LEU CB . 27120 1
274 . 1 1 57 57 LEU N N 15 124.172 0.035 . 1 . . 115 . . 57 LEU N . 27120 1
275 . 1 1 58 58 GLY H H 1 8.906 0.011 . 1 . . 23 . . 58 GLY H . 27120 1
276 . 1 1 58 58 GLY C C 13 173.932 . . 1 . . 256 . . 58 GLY C . 27120 1
277 . 1 1 58 58 GLY CA C 13 45.318 0.005 . 1 . . 257 . . 58 GLY CA . 27120 1
278 . 1 1 58 58 GLY N N 15 114.774 0.03 . 1 . . 24 . . 58 GLY N . 27120 1
279 . 1 1 59 59 THR H H 1 7.750 0.001 . 1 . . 3 . . 59 THR H . 27120 1
280 . 1 1 59 59 THR C C 13 173.458 0.031 . 1 . . 263 . . 59 THR C . 27120 1
281 . 1 1 59 59 THR CA C 13 63.006 0.026 . 1 . . 262 . . 59 THR CA . 27120 1
282 . 1 1 59 59 THR CB C 13 69.575 0.005 . 1 . . 261 . . 59 THR CB . 27120 1
283 . 1 1 59 59 THR N N 15 118.198 0.022 . 1 . . 4 . . 59 THR N . 27120 1
284 . 1 1 60 60 THR H H 1 8.783 0.005 . 1 . . 79 . . 60 THR H . 27120 1
285 . 1 1 60 60 THR C C 13 173.393 0.006 . 1 . . 266 . . 60 THR C . 27120 1
286 . 1 1 60 60 THR CA C 13 63.088 0.002 . 1 . . 265 . . 60 THR CA . 27120 1
287 . 1 1 60 60 THR CB C 13 68.795 0.097 . 1 . . 264 . . 60 THR CB . 27120 1
288 . 1 1 60 60 THR N N 15 124.188 0.018 . 1 . . 80 . . 60 THR N . 27120 1
289 . 1 1 61 61 LEU H H 1 9.056 0.005 . 1 . . 83 . . 61 LEU H . 27120 1
290 . 1 1 61 61 LEU C C 13 174.569 . . 1 . . 354 . . 61 LEU C . 27120 1
291 . 1 1 61 61 LEU CA C 13 55.305 0.024 . 1 . . 268 . . 61 LEU CA . 27120 1
292 . 1 1 61 61 LEU CB C 13 42.150 0.014 . 1 . . 267 . . 61 LEU CB . 27120 1
293 . 1 1 61 61 LEU N N 15 130.877 0.028 . 1 . . 84 . . 61 LEU N . 27120 1
294 . 1 1 62 62 MET H H 1 7.875 0.005 . 1 . . 25 . . 62 MET H . 27120 1
295 . 1 1 62 62 MET C C 13 175.637 . . 1 . . 318 . . 62 MET C . 27120 1
296 . 1 1 62 62 MET CA C 13 51.202 . . 1 . . 317 . . 62 MET CA . 27120 1
297 . 1 1 62 62 MET CB C 13 31.676 . . 1 . . 316 . . 62 MET CB . 27120 1
298 . 1 1 62 62 MET N N 15 125.484 0.032 . 1 . . 26 . . 62 MET N . 27120 1
299 . 1 1 63 63 PRO C C 13 176.621 . . 1 . . 332 . . 63 PRO C . 27120 1
300 . 1 1 63 63 PRO CA C 13 66.060 . . 1 . . 331 . . 63 PRO CA . 27120 1
301 . 1 1 63 63 PRO CB C 13 32.581 . . 1 . . 330 . . 63 PRO CB . 27120 1
302 . 1 1 64 64 ASP H H 1 8.026 0.004 . 1 . . 309 . . 64 ASP H . 27120 1
303 . 1 1 64 64 ASP C C 13 177.108 0.069 . 1 . . 299 . . 64 ASP C . 27120 1
304 . 1 1 64 64 ASP CA C 13 54.489 0.029 . 1 . . 298 . . 64 ASP CA . 27120 1
305 . 1 1 64 64 ASP CB C 13 39.644 0.054 . 1 . . 297 . . 64 ASP CB . 27120 1
306 . 1 1 64 64 ASP N N 15 110.448 0.047 . 1 . . 310 . . 64 ASP N . 27120 1
307 . 1 1 65 65 MET H H 1 8.111 0.002 . 1 . . 57 . . 65 MET H . 27120 1
308 . 1 1 65 65 MET C C 13 174.651 0.022 . 1 . . 296 . . 65 MET C . 27120 1
309 . 1 1 65 65 MET CA C 13 56.912 0.049 . 1 . . 295 . . 65 MET CA . 27120 1
310 . 1 1 65 65 MET CB C 13 33.511 0.134 . 1 . . 294 . . 65 MET CB . 27120 1
311 . 1 1 65 65 MET N N 15 117.072 0.022 . 1 . . 58 . . 65 MET N . 27120 1
312 . 1 1 66 66 VAL H H 1 7.075 0.004 . 1 . . 31 . . 66 VAL H . 27120 1
313 . 1 1 66 66 VAL C C 13 176.060 0.016 . 1 . . 291 . . 66 VAL C . 27120 1
314 . 1 1 66 66 VAL CA C 13 61.177 0.001 . 1 . . 292 . . 66 VAL CA . 27120 1
315 . 1 1 66 66 VAL CB C 13 33.084 0.088 . 1 . . 293 . . 66 VAL CB . 27120 1
316 . 1 1 66 66 VAL N N 15 117.516 0.017 . 1 . . 32 . . 66 VAL N . 27120 1
317 . 1 1 67 67 LYS H H 1 9.037 0.005 . 1 . . 130 . . 67 LYS H . 27120 1
318 . 1 1 67 67 LYS C C 13 177.697 0.002 . 1 . . 290 . . 67 LYS C . 27120 1
319 . 1 1 67 67 LYS CA C 13 58.086 0.029 . 1 . . 289 . . 67 LYS CA . 27120 1
320 . 1 1 67 67 LYS CB C 13 32.131 0.006 . 1 . . 288 . . 67 LYS CB . 27120 1
321 . 1 1 67 67 LYS N N 15 128.936 0.031 . 1 . . 131 . . 67 LYS N . 27120 1
322 . 1 1 68 68 GLY H H 1 9.007 0.003 . 1 . . 63 . . 68 GLY H . 27120 1
323 . 1 1 68 68 GLY C C 13 174.582 . . 1 . . 282 . . 68 GLY C . 27120 1
324 . 1 1 68 68 GLY CA C 13 45.490 0.001 . 1 . . 281 . . 68 GLY CA . 27120 1
325 . 1 1 68 68 GLY N N 15 113.297 0.02 . 1 . . 64 . . 68 GLY N . 27120 1
326 . 1 1 69 69 TYR H H 1 7.514 0.002 . 1 . . 126 . . 69 TYR H . 27120 1
327 . 1 1 69 69 TYR C C 13 174.209 . . 1 . . 138 . . 69 TYR C . 27120 1
328 . 1 1 69 69 TYR CA C 13 59.626 0.016 . 1 . . 137 . . 69 TYR CA . 27120 1
329 . 1 1 69 69 TYR CB C 13 39.014 0.051 . 1 . . 136 . . 69 TYR CB . 27120 1
330 . 1 1 69 69 TYR N N 15 121.267 0.018 . 1 . . 127 . . 69 TYR N . 27120 1
331 . 1 1 70 70 ALA H H 1 7.489 0.003 . 1 . . 19 . . 70 ALA H . 27120 1
332 . 1 1 70 70 ALA C C 13 175.290 0.028 . 1 . . 139 . . 70 ALA C . 27120 1
333 . 1 1 70 70 ALA CA C 13 50.770 0.053 . 1 . . 135 . . 70 ALA CA . 27120 1
334 . 1 1 70 70 ALA CB C 13 20.073 . . 1 . . 134 . . 70 ALA CB . 27120 1
335 . 1 1 70 70 ALA N N 15 131.096 0.059 . 1 . . 20 . . 70 ALA N . 27120 1
336 . 1 1 71 71 ALA H H 1 8.341 0.001 . 1 . . 33 . . 71 ALA H . 27120 1
337 . 1 1 71 71 ALA C C 13 177.923 0.047 . 1 . . 142 . . 71 ALA C . 27120 1
338 . 1 1 71 71 ALA CA C 13 51.990 0.058 . 1 . . 141 . . 71 ALA CA . 27120 1
339 . 1 1 71 71 ALA CB C 13 19.413 0.101 . 1 . . 140 . . 71 ALA CB . 27120 1
340 . 1 1 71 71 ALA N N 15 125.093 0.034 . 1 . . 34 . . 71 ALA N . 27120 1
341 . 1 1 72 72 ARG H H 1 8.711 0.012 . 1 . . 73 . . 72 ARG H . 27120 1
342 . 1 1 72 72 ARG C C 13 176.854 0.008 . 1 . . 145 . . 72 ARG C . 27120 1
343 . 1 1 72 72 ARG CA C 13 55.998 0.012 . 1 . . 144 . . 72 ARG CA . 27120 1
344 . 1 1 72 72 ARG CB C 13 31.000 0.064 . 1 . . 143 . . 72 ARG CB . 27120 1
345 . 1 1 72 72 ARG N N 15 121.240 0.038 . 1 . . 74 . . 72 ARG N . 27120 1
346 . 1 1 73 73 GLY H H 1 8.307 0.004 . 1 . . 103 . . 73 GLY H . 27120 1
347 . 1 1 73 73 GLY C C 13 173.909 0.0 . 1 . . 147 . . 73 GLY C . 27120 1
348 . 1 1 73 73 GLY CA C 13 45.123 0.019 . 1 . . 146 . . 73 GLY CA . 27120 1
349 . 1 1 73 73 GLY N N 15 108.866 0.021 . 1 . . 104 . . 73 GLY N . 27120 1
350 . 1 1 74 74 LYS H H 1 8.313 0.002 . 1 . . 109 . . 74 LYS H . 27120 1
351 . 1 1 74 74 LYS C C 13 176.721 0.025 . 1 . . 150 . . 74 LYS C . 27120 1
352 . 1 1 74 74 LYS CA C 13 56.443 0.007 . 1 . . 148 . . 74 LYS CA . 27120 1
353 . 1 1 74 74 LYS CB C 13 32.775 0.049 . 1 . . 149 . . 74 LYS CB . 27120 1
354 . 1 1 74 74 LYS N N 15 120.609 0.021 . 1 . . 110 . . 74 LYS N . 27120 1
stop_
save_