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 27711
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $cond1
_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
1 '2D 1H-15N HSQC/HMQC' 1 $s1 isotropic 27711 1
2 '3D HNCA' 2 $s2 isotropic 27711 1
3 'HNcoCA (H[N[co[{CA|ca[C]}]]])' 2 $s2 isotropic 27711 1
4 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' 2 $s2 isotropic 27711 1
5 '3D HNCACB' 2 $s2 isotropic 27711 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 . . 27711 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 2 2 LYS CA C 13 56.534 0.009 . 1 . . 167 . . 2 LYS CA . 27711 1
2 . 1 1 2 2 LYS CB C 13 33.233 0.018 . 1 . . 168 . . 2 LYS CB . 27711 1
3 . 1 1 3 3 ASP H H 1 8.543 0.003 . 1 . . 68 . . 3 ASP H . 27711 1
4 . 1 1 3 3 ASP CA C 13 54.748 0.011 . 1 . . 166 . . 3 ASP CA . 27711 1
5 . 1 1 3 3 ASP CB C 13 40.975 0.003 . 1 . . 169 . . 3 ASP CB . 27711 1
6 . 1 1 3 3 ASP N N 15 122.042 0.023 . 1 . . 69 . . 3 ASP N . 27711 1
7 . 1 1 4 4 THR H H 1 8.033 0.003 . 1 . . 119 . . 4 THR H . 27711 1
8 . 1 1 4 4 THR CA C 13 61.953 0.013 . 1 . . 170 . . 4 THR CA . 27711 1
9 . 1 1 4 4 THR CB C 13 69.640 0.019 . 1 . . 171 . . 4 THR CB . 27711 1
10 . 1 1 4 4 THR N N 15 113.149 0.031 . 1 . . 120 . . 4 THR N . 27711 1
11 . 1 1 5 5 ASP H H 1 8.336 0.003 . 1 . . 1 . . 5 ASP H . 27711 1
12 . 1 1 5 5 ASP CA C 13 54.708 0.02 . 1 . . 172 . . 5 ASP CA . 27711 1
13 . 1 1 5 5 ASP CB C 13 41.246 0.01 . 1 . . 173 . . 5 ASP CB . 27711 1
14 . 1 1 5 5 ASP N N 15 122.797 0.024 . 1 . . 2 . . 5 ASP N . 27711 1
15 . 1 1 6 6 SER H H 1 8.357 0.003 . 1 . . 62 . . 6 SER H . 27711 1
16 . 1 1 6 6 SER CA C 13 58.938 0.008 . 1 . . 174 . . 6 SER CA . 27711 1
17 . 1 1 6 6 SER CB C 13 63.821 0.004 . 1 . . 175 . . 6 SER CB . 27711 1
18 . 1 1 6 6 SER N N 15 116.578 0.015 . 1 . . 63 . . 6 SER N . 27711 1
19 . 1 1 7 7 GLU H H 1 8.517 0.004 . 1 . . 98 . . 7 GLU H . 27711 1
20 . 1 1 7 7 GLU CA C 13 58.799 0.027 . 1 . . 176 . . 7 GLU CA . 27711 1
21 . 1 1 7 7 GLU CB C 13 29.553 0.006 . 1 . . 177 . . 7 GLU CB . 27711 1
22 . 1 1 7 7 GLU N N 15 122.812 0.026 . 1 . . 99 . . 7 GLU N . 27711 1
23 . 1 1 8 8 GLU H H 1 8.351 0.004 . 1 . . 9 . . 8 GLU H . 27711 1
24 . 1 1 8 8 GLU CA C 13 59.655 0.015 . 1 . . 181 . . 8 GLU CA . 27711 1
25 . 1 1 8 8 GLU CB C 13 29.261 0.012 . 1 . . 182 . . 8 GLU CB . 27711 1
26 . 1 1 8 8 GLU N N 15 119.513 0.03 . 1 . . 10 . . 8 GLU N . 27711 1
27 . 1 1 9 9 GLU H H 1 8.134 0.002 . 1 . . 84 . . 9 GLU H . 27711 1
28 . 1 1 9 9 GLU CA C 13 59.468 0.031 . 1 . . 183 . . 9 GLU CA . 27711 1
29 . 1 1 9 9 GLU CB C 13 29.565 0.026 . 1 . . 184 . . 9 GLU CB . 27711 1
30 . 1 1 9 9 GLU N N 15 118.741 0.027 . 1 . . 85 . . 9 GLU N . 27711 1
31 . 1 1 10 10 ILE H H 1 7.995 0.003 . 1 . . 121 . . 10 ILE H . 27711 1
32 . 1 1 10 10 ILE CA C 13 65.281 0.007 . 1 . . 185 . . 10 ILE CA . 27711 1
33 . 1 1 10 10 ILE CB C 13 37.417 0.004 . 1 . . 186 . . 10 ILE CB . 27711 1
34 . 1 1 10 10 ILE N N 15 121.947 0.018 . 1 . . 122 . . 10 ILE N . 27711 1
35 . 1 1 11 11 ARG H H 1 8.465 0.003 . 1 . . 32 . . 11 ARG H . 27711 1
36 . 1 1 11 11 ARG CA C 13 60.085 0.015 . 1 . . 187 . . 11 ARG CA . 27711 1
37 . 1 1 11 11 ARG CB C 13 29.829 0.018 . 1 . . 188 . . 11 ARG CB . 27711 1
38 . 1 1 11 11 ARG N N 15 121.533 0.022 . 1 . . 33 . . 11 ARG N . 27711 1
39 . 1 1 12 12 GLU H H 1 8.152 0.003 . 1 . . 157 . . 12 GLU H . 27711 1
40 . 1 1 12 12 GLU CA C 13 59.033 0.014 . 1 . . 189 . . 12 GLU CA . 27711 1
41 . 1 1 12 12 GLU CB C 13 29.193 0.022 . 1 . . 190 . . 12 GLU CB . 27711 1
42 . 1 1 12 12 GLU N N 15 118.395 0.019 . 1 . . 158 . . 12 GLU N . 27711 1
43 . 1 1 13 13 ALA H H 1 7.962 0.002 . 1 . . 76 . . 13 ALA H . 27711 1
44 . 1 1 13 13 ALA CA C 13 55.195 0.012 . 1 . . 192 . . 13 ALA CA . 27711 1
45 . 1 1 13 13 ALA CB C 13 17.926 0.009 . 1 . . 191 . . 13 ALA CB . 27711 1
46 . 1 1 13 13 ALA N N 15 121.862 0.021 . 1 . . 77 . . 13 ALA N . 27711 1
47 . 1 1 14 14 PHE H H 1 8.539 0.003 . 1 . . 144 . . 14 PHE H . 27711 1
48 . 1 1 14 14 PHE CA C 13 62.293 0.013 . 1 . . 193 . . 14 PHE CA . 27711 1
49 . 1 1 14 14 PHE CB C 13 39.117 0.01 . 1 . . 194 . . 14 PHE CB . 27711 1
50 . 1 1 14 14 PHE N N 15 118.706 0.012 . 1 . . 145 . . 14 PHE N . 27711 1
51 . 1 1 15 15 ARG H H 1 7.758 0.003 . 1 . . 48 . . 15 ARG H . 27711 1
52 . 1 1 15 15 ARG CA C 13 58.776 0.016 . 1 . . 195 . . 15 ARG CA . 27711 1
53 . 1 1 15 15 ARG CB C 13 30.269 0.01 . 1 . . 196 . . 15 ARG CB . 27711 1
54 . 1 1 15 15 ARG N N 15 115.811 0.014 . 1 . . 49 . . 15 ARG N . 27711 1
55 . 1 1 16 16 VAL H H 1 7.444 0.003 . 1 . . 132 . . 16 VAL H . 27711 1
56 . 1 1 16 16 VAL CA C 13 65.824 0.009 . 1 . . 198 . . 16 VAL CA . 27711 1
57 . 1 1 16 16 VAL CB C 13 31.264 0.009 . 1 . . 197 . . 16 VAL CB . 27711 1
58 . 1 1 16 16 VAL N N 15 118.887 0.008 . 1 . . 133 . . 16 VAL N . 27711 1
59 . 1 1 17 17 PHE H H 1 7.050 0.003 . 1 . . 136 . . 17 PHE H . 27711 1
60 . 1 1 17 17 PHE CA C 13 60.501 0.009 . 1 . . 200 . . 17 PHE CA . 27711 1
61 . 1 1 17 17 PHE CB C 13 41.180 0.026 . 1 . . 199 . . 17 PHE CB . 27711 1
62 . 1 1 17 17 PHE N N 15 115.019 0.017 . 1 . . 137 . . 17 PHE N . 27711 1
63 . 1 1 18 18 ASP H H 1 7.896 0.003 . 1 . . 106 . . 18 ASP H . 27711 1
64 . 1 1 18 18 ASP CA C 13 52.389 0.005 . 1 . . 201 . . 18 ASP CA . 27711 1
65 . 1 1 18 18 ASP CB C 13 38.439 0.023 . 1 . . 202 . . 18 ASP CB . 27711 1
66 . 1 1 18 18 ASP N N 15 116.357 0.01 . 1 . . 107 . . 18 ASP N . 27711 1
67 . 1 1 19 19 LYS H H 1 7.892 0.003 . 1 . . 90 . . 19 LYS H . 27711 1
68 . 1 1 19 19 LYS CA C 13 58.822 0.012 . 1 . . 203 . . 19 LYS CA . 27711 1
69 . 1 1 19 19 LYS CB C 13 32.557 0.007 . 1 . . 204 . . 19 LYS CB . 27711 1
70 . 1 1 19 19 LYS N N 15 126.122 0.03 . 1 . . 91 . . 19 LYS N . 27711 1
71 . 1 1 20 20 ASP H H 1 8.191 0.003 . 1 . . 42 . . 20 ASP H . 27711 1
72 . 1 1 20 20 ASP CA C 13 53.002 0.019 . 1 . . 206 . . 20 ASP CA . 27711 1
73 . 1 1 20 20 ASP CB C 13 39.525 0.028 . 1 . . 205 . . 20 ASP CB . 27711 1
74 . 1 1 20 20 ASP N N 15 114.253 0.019 . 1 . . 43 . . 20 ASP N . 27711 1
75 . 1 1 21 21 GLY H H 1 7.763 0.003 . 1 . . 80 . . 21 GLY H . 27711 1
76 . 1 1 21 21 GLY CA C 13 47.091 0.011 . 1 . . 178 . . 21 GLY CA . 27711 1
77 . 1 1 21 21 GLY N N 15 109.172 0.029 . 1 . . 81 . . 21 GLY N . 27711 1
78 . 1 1 22 22 ASN H H 1 8.347 0.003 . 1 . . 102 . . 22 ASN H . 27711 1
79 . 1 1 22 22 ASN CA C 13 52.608 0.011 . 1 . . 180 . . 22 ASN CA . 27711 1
80 . 1 1 22 22 ASN CB C 13 38.143 0.025 . 1 . . 179 . . 22 ASN CB . 27711 1
81 . 1 1 22 22 ASN N N 15 119.604 0.017 . 1 . . 103 . . 22 ASN N . 27711 1
82 . 1 1 23 23 GLY H H 1 10.635 0.003 . 1 . . 56 . . 23 GLY H . 27711 1
83 . 1 1 23 23 GLY CA C 13 45.049 0.016 . 1 . . 207 . . 23 GLY CA . 27711 1
84 . 1 1 23 23 GLY N N 15 112.862 0.032 . 1 . . 57 . . 23 GLY N . 27711 1
85 . 1 1 24 24 TYR H H 1 7.656 0.003 . 1 . . 34 . . 24 TYR H . 27711 1
86 . 1 1 24 24 TYR CA C 13 56.121 0.005 . 1 . . 209 . . 24 TYR CA . 27711 1
87 . 1 1 24 24 TYR CB C 13 43.026 0.021 . 1 . . 208 . . 24 TYR CB . 27711 1
88 . 1 1 24 24 TYR N N 15 116.149 0.008 . 1 . . 35 . . 24 TYR N . 27711 1
89 . 1 1 25 25 ILE H H 1 10.150 0.002 . 1 . . 125 . . 25 ILE H . 27711 1
90 . 1 1 25 25 ILE CA C 13 61.039 0.018 . 1 . . 210 . . 25 ILE CA . 27711 1
91 . 1 1 25 25 ILE CB C 13 39.097 0.021 . 1 . . 211 . . 25 ILE CB . 27711 1
92 . 1 1 25 25 ILE N N 15 127.496 0.029 . 1 . . 126 . . 25 ILE N . 27711 1
93 . 1 1 26 26 SER H H 1 8.878 0.003 . 1 . . 24 . . 26 SER H . 27711 1
94 . 1 1 26 26 SER CA C 13 55.565 0.014 . 1 . . 212 . . 26 SER CA . 27711 1
95 . 1 1 26 26 SER CB C 13 66.911 0.02 . 1 . . 213 . . 26 SER CB . 27711 1
96 . 1 1 26 26 SER N N 15 123.301 0.028 . 1 . . 25 . . 26 SER N . 27711 1
97 . 1 1 27 27 ALA H H 1 9.194 0.003 . 1 . . 138 . . 27 ALA H . 27711 1
98 . 1 1 27 27 ALA CA C 13 55.884 0.018 . 1 . . 214 . . 27 ALA CA . 27711 1
99 . 1 1 27 27 ALA CB C 13 17.981 0.004 . 1 . . 215 . . 27 ALA CB . 27711 1
100 . 1 1 27 27 ALA N N 15 122.980 0.014 . 1 . . 139 . . 27 ALA N . 27711 1
101 . 1 1 28 28 ALA H H 1 8.216 0.003 . 1 . . 74 . . 28 ALA H . 27711 1
102 . 1 1 28 28 ALA CA C 13 55.144 0.016 . 1 . . 217 . . 28 ALA CA . 27711 1
103 . 1 1 28 28 ALA CB C 13 18.324 0.019 . 1 . . 216 . . 28 ALA CB . 27711 1
104 . 1 1 28 28 ALA N N 15 118.493 0.008 . 1 . . 75 . . 28 ALA N . 27711 1
105 . 1 1 29 29 GLU H H 1 7.872 0.003 . 1 . . 78 . . 29 GLU H . 27711 1
106 . 1 1 29 29 GLU CA C 13 59.501 0.01 . 1 . . 218 . . 29 GLU CA . 27711 1
107 . 1 1 29 29 GLU CB C 13 29.093 0.003 . 1 . . 219 . . 29 GLU CB . 27711 1
108 . 1 1 29 29 GLU N N 15 120.429 0.014 . 1 . . 79 . . 29 GLU N . 27711 1
109 . 1 1 30 30 LEU H H 1 8.479 0.003 . 1 . . 86 . . 30 LEU H . 27711 1
110 . 1 1 30 30 LEU CA C 13 58.679 0.012 . 1 . . 221 . . 30 LEU CA . 27711 1
111 . 1 1 30 30 LEU CB C 13 41.776 0.009 . 1 . . 220 . . 30 LEU CB . 27711 1
112 . 1 1 30 30 LEU N N 15 121.164 0.028 . 1 . . 87 . . 30 LEU N . 27711 1
113 . 1 1 31 31 ARG H H 1 8.690 0.003 . 1 . . 58 . . 31 ARG H . 27711 1
114 . 1 1 31 31 ARG CA C 13 59.941 0.018 . 1 . . 222 . . 31 ARG CA . 27711 1
115 . 1 1 31 31 ARG CB C 13 30.467 0.01 . 1 . . 223 . . 31 ARG CB . 27711 1
116 . 1 1 31 31 ARG N N 15 117.932 0.017 . 1 . . 59 . . 31 ARG N . 27711 1
117 . 1 1 32 32 HIS H H 1 8.030 0.003 . 1 . . 15 . . 32 HIS H . 27711 1
118 . 1 1 32 32 HIS CA C 13 59.810 0.02 . 1 . . 224 . . 32 HIS CA . 27711 1
119 . 1 1 32 32 HIS CB C 13 30.281 0.012 . 1 . . 225 . . 32 HIS CB . 27711 1
120 . 1 1 32 32 HIS N N 15 119.281 0.01 . 1 . . 16 . . 32 HIS N . 27711 1
121 . 1 1 33 33 VAL H H 1 8.087 0.003 . 1 . . 28 . . 33 VAL H . 27711 1
122 . 1 1 33 33 VAL CA C 13 66.650 0.007 . 1 . . 227 . . 33 VAL CA . 27711 1
123 . 1 1 33 33 VAL CB C 13 31.741 0.016 . 1 . . 226 . . 33 VAL CB . 27711 1
124 . 1 1 33 33 VAL N N 15 119.252 0.012 . 1 . . 29 . . 33 VAL N . 27711 1
125 . 1 1 34 34 MET H H 1 8.379 0.003 . 1 . . 13 . . 34 MET H . 27711 1
126 . 1 1 34 34 MET CA C 13 57.588 0.017 . 1 . . 228 . . 34 MET CA . 27711 1
127 . 1 1 34 34 MET CB C 13 31.185 0.006 . 1 . . 229 . . 34 MET CB . 27711 1
128 . 1 1 34 34 MET N N 15 116.189 0.02 . 1 . . 14 . . 34 MET N . 27711 1
129 . 1 1 35 35 THR H H 1 8.259 0.003 . 1 . . 161 . . 35 THR H . 27711 1
130 . 1 1 35 35 THR CA C 13 66.525 0.034 . 1 . . 231 . . 35 THR CA . 27711 1
131 . 1 1 35 35 THR CB C 13 68.618 0.015 . 1 . . 230 . . 35 THR CB . 27711 1
132 . 1 1 35 35 THR N N 15 115.752 0.013 . 1 . . 162 . . 35 THR N . 27711 1
133 . 1 1 36 36 ASN H H 1 7.798 0.002 . 1 . . 104 . . 36 ASN H . 27711 1
134 . 1 1 36 36 ASN CA C 13 55.940 0.014 . 1 . . 232 . . 36 ASN CA . 27711 1
135 . 1 1 36 36 ASN CB C 13 38.179 0.009 . 1 . . 233 . . 36 ASN CB . 27711 1
136 . 1 1 36 36 ASN N N 15 122.779 0.041 . 1 . . 105 . . 36 ASN N . 27711 1
137 . 1 1 37 37 LEU H H 1 7.842 0.003 . 1 . . 96 . . 37 LEU H . 27711 1
138 . 1 1 37 37 LEU CA C 13 55.331 0.007 . 1 . . 235 . . 37 LEU CA . 27711 1
139 . 1 1 37 37 LEU CB C 13 42.243 0.019 . 1 . . 234 . . 37 LEU CB . 27711 1
140 . 1 1 37 37 LEU N N 15 118.817 0.013 . 1 . . 97 . . 37 LEU N . 27711 1
141 . 1 1 38 38 GLY H H 1 7.807 0.004 . 1 . . 117 . . 38 GLY H . 27711 1
142 . 1 1 38 38 GLY CA C 13 45.331 0.011 . 1 . . 236 . . 38 GLY CA . 27711 1
143 . 1 1 38 38 GLY N N 15 106.999 0.036 . 1 . . 118 . . 38 GLY N . 27711 1
144 . 1 1 39 39 GLU H H 1 7.901 0.003 . 1 . . 66 . . 39 GLU H . 27711 1
145 . 1 1 39 39 GLU CA C 13 55.191 0.006 . 1 . . 238 . . 39 GLU CA . 27711 1
146 . 1 1 39 39 GLU CB C 13 30.292 0.019 . 1 . . 237 . . 39 GLU CB . 27711 1
147 . 1 1 39 39 GLU N N 15 120.313 0.016 . 1 . . 67 . . 39 GLU N . 27711 1
148 . 1 1 40 40 LYS H H 1 8.629 0.003 . 1 . . 108 . . 40 LYS H . 27711 1
149 . 1 1 40 40 LYS CA C 13 55.490 0.01 . 1 . . 240 . . 40 LYS CA . 27711 1
150 . 1 1 40 40 LYS CB C 13 31.818 0.021 . 1 . . 239 . . 40 LYS CB . 27711 1
151 . 1 1 40 40 LYS N N 15 125.010 0.035 . 1 . . 109 . . 40 LYS N . 27711 1
152 . 1 1 41 41 LEU H H 1 8.019 0.003 . 1 . . 128 . . 41 LEU H . 27711 1
153 . 1 1 41 41 LEU CA C 13 53.827 0.009 . 1 . . 241 . . 41 LEU CA . 27711 1
154 . 1 1 41 41 LEU CB C 13 45.096 0.006 . 1 . . 242 . . 41 LEU CB . 27711 1
155 . 1 1 41 41 LEU N N 15 124.761 0.03 . 1 . . 129 . . 41 LEU N . 27711 1
156 . 1 1 42 42 THR H H 1 9.226 0.004 . 1 . . 148 . . 42 THR H . 27711 1
157 . 1 1 42 42 THR CA C 13 60.623 0.008 . 1 . . 244 . . 42 THR CA . 27711 1
158 . 1 1 42 42 THR CB C 13 71.213 0.019 . 1 . . 243 . . 42 THR CB . 27711 1
159 . 1 1 42 42 THR N N 15 114.801 0.012 . 1 . . 149 . . 42 THR N . 27711 1
160 . 1 1 43 43 ASP H H 1 8.882 0.003 . 1 . . 100 . . 43 ASP H . 27711 1
161 . 1 1 43 43 ASP CA C 13 57.975 0.01 . 1 . . 245 . . 43 ASP CA . 27711 1
162 . 1 1 43 43 ASP CB C 13 39.580 . . 1 . . 246 . . 43 ASP CB . 27711 1
163 . 1 1 43 43 ASP N N 15 121.073 0.015 . 1 . . 101 . . 43 ASP N . 27711 1
164 . 1 1 44 44 GLU H H 1 8.646 0.003 . 1 . . 113 . . 44 GLU H . 27711 1
165 . 1 1 44 44 GLU CA C 13 59.942 0.02 . 1 . . 247 . . 44 GLU CA . 27711 1
166 . 1 1 44 44 GLU CB C 13 29.015 0.005 . 1 . . 248 . . 44 GLU CB . 27711 1
167 . 1 1 44 44 GLU N N 15 119.137 0.015 . 1 . . 114 . . 44 GLU N . 27711 1
168 . 1 1 45 45 GLU H H 1 7.730 0.003 . 1 . . 52 . . 45 GLU H . 27711 1
169 . 1 1 45 45 GLU CA C 13 59.301 0.016 . 1 . . 249 . . 45 GLU CA . 27711 1
170 . 1 1 45 45 GLU CB C 13 30.434 0.028 . 1 . . 250 . . 45 GLU CB . 27711 1
171 . 1 1 45 45 GLU N N 15 120.648 0.017 . 1 . . 53 . . 45 GLU N . 27711 1
172 . 1 1 46 46 VAL H H 1 7.997 0.003 . 1 . . 154 . . 46 VAL H . 27711 1
173 . 1 1 46 46 VAL CA C 13 66.884 0.008 . 1 . . 252 . . 46 VAL CA . 27711 1
174 . 1 1 46 46 VAL CB C 13 31.391 0.017 . 1 . . 251 . . 46 VAL CB . 27711 1
175 . 1 1 46 46 VAL N N 15 120.776 0.016 . 1 . . 155 . . 46 VAL N . 27711 1
176 . 1 1 47 47 ASP H H 1 7.990 0.003 . 1 . . 159 . . 47 ASP H . 27711 1
177 . 1 1 47 47 ASP CA C 13 57.584 0.021 . 1 . . 253 . . 47 ASP CA . 27711 1
178 . 1 1 47 47 ASP CB C 13 40.460 0.006 . 1 . . 254 . . 47 ASP CB . 27711 1
179 . 1 1 47 47 ASP N N 15 119.253 0.021 . 1 . . 160 . . 47 ASP N . 27711 1
180 . 1 1 48 48 GLU H H 1 7.996 0.003 . 1 . . 36 . . 48 GLU H . 27711 1
181 . 1 1 48 48 GLU CA C 13 59.115 0.013 . 1 . . 256 . . 48 GLU CA . 27711 1
182 . 1 1 48 48 GLU CB C 13 29.258 0.008 . 1 . . 255 . . 48 GLU CB . 27711 1
183 . 1 1 48 48 GLU N N 15 119.552 0.011 . 1 . . 37 . . 48 GLU N . 27711 1
184 . 1 1 49 49 MET H H 1 7.794 0.003 . 1 . . 130 . . 49 MET H . 27711 1
185 . 1 1 49 49 MET CA C 13 59.729 0.012 . 1 . . 257 . . 49 MET CA . 27711 1
186 . 1 1 49 49 MET CB C 13 33.718 0.016 . 1 . . 258 . . 49 MET CB . 27711 1
187 . 1 1 49 49 MET N N 15 119.773 0.015 . 1 . . 131 . . 49 MET N . 27711 1
188 . 1 1 50 50 ILE H H 1 7.804 0.003 . 1 . . 38 . . 50 ILE H . 27711 1
189 . 1 1 50 50 ILE CA C 13 63.042 0.012 . 1 . . 260 . . 50 ILE CA . 27711 1
190 . 1 1 50 50 ILE CB C 13 35.974 0.004 . 1 . . 259 . . 50 ILE CB . 27711 1
191 . 1 1 50 50 ILE N N 15 117.877 0.02 . 1 . . 39 . . 50 ILE N . 27711 1
192 . 1 1 51 51 ARG H H 1 8.248 0.003 . 1 . . 54 . . 51 ARG H . 27711 1
193 . 1 1 51 51 ARG CA C 13 59.707 0.01 . 1 . . 261 . . 51 ARG CA . 27711 1
194 . 1 1 51 51 ARG CB C 13 30.238 0.01 . 1 . . 262 . . 51 ARG CB . 27711 1
195 . 1 1 51 51 ARG N N 15 118.206 0.025 . 1 . . 55 . . 51 ARG N . 27711 1
196 . 1 1 52 52 GLU H H 1 7.983 0.003 . 1 . . 140 . . 52 GLU H . 27711 1
197 . 1 1 52 52 GLU CA C 13 58.623 0.015 . 1 . . 264 . . 52 GLU CA . 27711 1
198 . 1 1 52 52 GLU CB C 13 29.461 0.017 . 1 . . 263 . . 52 GLU CB . 27711 1
199 . 1 1 52 52 GLU N N 15 116.397 0.011 . 1 . . 141 . . 52 GLU N . 27711 1
200 . 1 1 53 53 ALA H H 1 7.285 0.003 . 1 . . 146 . . 53 ALA H . 27711 1
201 . 1 1 53 53 ALA CA C 13 51.870 0.012 . 1 . . 265 . . 53 ALA CA . 27711 1
202 . 1 1 53 53 ALA CB C 13 21.382 0.01 . 1 . . 266 . . 53 ALA CB . 27711 1
203 . 1 1 53 53 ALA N N 15 118.559 0.006 . 1 . . 147 . . 53 ALA N . 27711 1
204 . 1 1 54 54 ASP H H 1 7.999 0.003 . 1 . . 46 . . 54 ASP H . 27711 1
205 . 1 1 54 54 ASP CA C 13 54.093 0.013 . 1 . . 268 . . 54 ASP CA . 27711 1
206 . 1 1 54 54 ASP CB C 13 40.554 0.013 . 1 . . 267 . . 54 ASP CB . 27711 1
207 . 1 1 54 54 ASP N N 15 118.111 0.015 . 1 . . 47 . . 54 ASP N . 27711 1
208 . 1 1 55 55 ILE H H 1 8.170 0.003 . 1 . . 82 . . 55 ILE H . 27711 1
209 . 1 1 55 55 ILE CA C 13 63.528 0.007 . 1 . . 269 . . 55 ILE CA . 27711 1
210 . 1 1 55 55 ILE CB C 13 38.545 0.011 . 1 . . 270 . . 55 ILE CB . 27711 1
211 . 1 1 55 55 ILE N N 15 127.661 0.023 . 1 . . 83 . . 55 ILE N . 27711 1
212 . 1 1 56 56 ASP H H 1 8.413 0.003 . 1 . . 164 . . 56 ASP H . 27711 1
213 . 1 1 56 56 ASP CA C 13 53.975 0.018 . 1 . . 272 . . 56 ASP CA . 27711 1
214 . 1 1 56 56 ASP CB C 13 39.903 0.007 . 1 . . 271 . . 56 ASP CB . 27711 1
215 . 1 1 56 56 ASP N N 15 116.701 0.016 . 1 . . 165 . . 56 ASP N . 27711 1
216 . 1 1 57 57 GLY H H 1 7.661 0.004 . 1 . . 72 . . 57 GLY H . 27711 1
217 . 1 1 57 57 GLY CA C 13 47.457 0.008 . 1 . . 273 . . 57 GLY CA . 27711 1
218 . 1 1 57 57 GLY N N 15 108.809 0.039 . 1 . . 73 . . 57 GLY N . 27711 1
219 . 1 1 58 58 ASP H H 1 8.390 0.003 . 1 . . 5 . . 58 ASP H . 27711 1
220 . 1 1 58 58 ASP CA C 13 53.719 0.014 . 1 . . 275 . . 58 ASP CA . 27711 1
221 . 1 1 58 58 ASP CB C 13 40.022 0.02 . 1 . . 274 . . 58 ASP CB . 27711 1
222 . 1 1 58 58 ASP N N 15 120.987 0.022 . 1 . . 6 . . 58 ASP N . 27711 1
223 . 1 1 59 59 GLY H H 1 10.289 0.003 . 1 . . 150 . . 59 GLY H . 27711 1
224 . 1 1 59 59 GLY CA C 13 45.700 0.012 . 1 . . 276 . . 59 GLY CA . 27711 1
225 . 1 1 59 59 GLY N N 15 112.873 0.028 . 1 . . 151 . . 59 GLY N . 27711 1
226 . 1 1 60 60 GLN H H 1 7.944 0.003 . 1 . . 123 . . 60 GLN H . 27711 1
227 . 1 1 60 60 GLN CA C 13 53.205 0.007 . 1 . . 277 . . 60 GLN CA . 27711 1
228 . 1 1 60 60 GLN CB C 13 32.322 0.015 . 1 . . 278 . . 60 GLN CB . 27711 1
229 . 1 1 60 60 GLN N N 15 115.236 0.011 . 1 . . 124 . . 60 GLN N . 27711 1
230 . 1 1 61 61 VAL H H 1 9.087 0.004 . 1 . . 60 . . 61 VAL H . 27711 1
231 . 1 1 61 61 VAL CA C 13 61.723 0.01 . 1 . . 280 . . 61 VAL CA . 27711 1
232 . 1 1 61 61 VAL CB C 13 33.948 0.017 . 1 . . 279 . . 61 VAL CB . 27711 1
233 . 1 1 61 61 VAL N N 15 125.763 0.034 . 1 . . 61 . . 61 VAL N . 27711 1
234 . 1 1 62 62 ASN H H 1 9.508 0.002 . 1 . . 70 . . 62 ASN H . 27711 1
235 . 1 1 62 62 ASN CA C 13 50.984 0.018 . 1 . . 281 . . 62 ASN CA . 27711 1
236 . 1 1 62 62 ASN CB C 13 38.492 0.007 . 1 . . 282 . . 62 ASN CB . 27711 1
237 . 1 1 62 62 ASN N N 15 129.053 0.031 . 1 . . 71 . . 62 ASN N . 27711 1
238 . 1 1 63 63 TYR H H 1 8.405 0.003 . 1 . . 134 . . 63 TYR H . 27711 1
239 . 1 1 63 63 TYR CA C 13 62.583 0.009 . 1 . . 284 . . 63 TYR CA . 27711 1
240 . 1 1 63 63 TYR CB C 13 37.690 0.002 . 1 . . 283 . . 63 TYR CB . 27711 1
241 . 1 1 63 63 TYR N N 15 118.667 0.01 . 1 . . 135 . . 63 TYR N . 27711 1
242 . 1 1 64 64 GLU H H 1 8.085 0.003 . 1 . . 111 . . 64 GLU H . 27711 1
243 . 1 1 64 64 GLU CA C 13 60.288 0.025 . 1 . . 285 . . 64 GLU CA . 27711 1
244 . 1 1 64 64 GLU CB C 13 28.836 0.041 . 1 . . 286 . . 64 GLU CB . 27711 1
245 . 1 1 64 64 GLU N N 15 118.358 0.011 . 1 . . 112 . . 64 GLU N . 27711 1
246 . 1 1 65 65 GLU H H 1 8.724 0.003 . 1 . . 19 . . 65 GLU H . 27711 1
247 . 1 1 65 65 GLU CA C 13 58.683 0.018 . 1 . . 288 . . 65 GLU CA . 27711 1
248 . 1 1 65 65 GLU CB C 13 29.689 0.015 . 1 . . 287 . . 65 GLU CB . 27711 1
249 . 1 1 65 65 GLU N N 15 119.981 0.024 . 1 . . 20 . . 65 GLU N . 27711 1
250 . 1 1 66 66 PHE H H 1 8.771 0.003 . 1 . . 30 . . 66 PHE H . 27711 1
251 . 1 1 66 66 PHE CA C 13 62.115 0.008 . 1 . . 289 . . 66 PHE CA . 27711 1
252 . 1 1 66 66 PHE CB C 13 40.134 0.013 . 1 . . 290 . . 66 PHE CB . 27711 1
253 . 1 1 66 66 PHE N N 15 124.599 0.027 . 1 . . 31 . . 66 PHE N . 27711 1
254 . 1 1 67 67 VAL H H 1 8.680 0.003 . 1 . . 3 . . 67 VAL H . 27711 1
255 . 1 1 67 67 VAL CA C 13 66.960 0.009 . 1 . . 292 . . 67 VAL CA . 27711 1
256 . 1 1 67 67 VAL CB C 13 31.522 0.01 . 1 . . 291 . . 67 VAL CB . 27711 1
257 . 1 1 67 67 VAL N N 15 119.148 0.02 . 1 . . 4 . . 67 VAL N . 27711 1
258 . 1 1 68 68 GLN H H 1 7.625 0.003 . 1 . . 142 . . 68 GLN H . 27711 1
259 . 1 1 68 68 GLN CA C 13 58.891 0.015 . 1 . . 293 . . 68 GLN CA . 27711 1
260 . 1 1 68 68 GLN CB C 13 28.047 0.028 . 1 . . 294 . . 68 GLN CB . 27711 1
261 . 1 1 68 68 GLN N N 15 118.854 0.043 . 1 . . 143 . . 68 GLN N . 27711 1
262 . 1 1 69 69 MET H H 1 7.560 0.003 . 1 . . 64 . . 69 MET H . 27711 1
263 . 1 1 69 69 MET CA C 13 57.606 0.002 . 1 . . 296 . . 69 MET CA . 27711 1
264 . 1 1 69 69 MET CB C 13 31.087 0.007 . 1 . . 295 . . 69 MET CB . 27711 1
265 . 1 1 69 69 MET N N 15 118.413 0.009 . 1 . . 65 . . 69 MET N . 27711 1
266 . 1 1 70 70 MET H H 1 7.788 0.003 . 1 . . 92 . . 70 MET H . 27711 1
267 . 1 1 70 70 MET CA C 13 56.017 0.006 . 1 . . 297 . . 70 MET CA . 27711 1
268 . 1 1 70 70 MET CB C 13 32.450 0.006 . 1 . . 298 . . 70 MET CB . 27711 1
269 . 1 1 70 70 MET N N 15 116.055 0.026 . 1 . . 93 . . 70 MET N . 27711 1
270 . 1 1 71 71 THR H H 1 7.594 0.003 . 1 . . 40 . . 71 THR H . 27711 1
271 . 1 1 71 71 THR CA C 13 62.232 0.014 . 1 . . 299 . . 71 THR CA . 27711 1
272 . 1 1 71 71 THR CB C 13 70.138 0.019 . 1 . . 300 . . 71 THR CB . 27711 1
273 . 1 1 71 71 THR N N 15 110.148 0.036 . 1 . . 41 . . 71 THR N . 27711 1
274 . 1 1 72 72 ALA H H 1 7.617 0.003 . 1 . . 152 . . 72 ALA H . 27711 1
275 . 1 1 72 72 ALA CA C 13 52.970 0.011 . 1 . . 301 . . 72 ALA CA . 27711 1
276 . 1 1 72 72 ALA CB C 13 19.031 0.004 . 1 . . 302 . . 72 ALA CB . 27711 1
277 . 1 1 72 72 ALA N N 15 126.693 0.024 . 1 . . 153 . . 72 ALA N . 27711 1
278 . 1 1 73 73 LYS H H 1 7.764 0.003 . 1 . . 94 . . 73 LYS H . 27711 1
279 . 1 1 73 73 LYS CA C 13 57.378 0.01 . 1 . . 304 . . 73 LYS CA . 27711 1
280 . 1 1 73 73 LYS CB C 13 33.686 . . 1 . . 303 . . 73 LYS CB . 27711 1
281 . 1 1 73 73 LYS N N 15 125.638 0.031 . 1 . . 95 . . 73 LYS N . 27711 1
stop_
save_