Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27046
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.05
_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 '3D HNCO' . . . 27046 1
2 '3D HNCA' . . . 27046 1
3 '3D HN(CO)CA' . . . 27046 1
4 '3D HN(CA)CO' . . . 27046 1
5 '3D C(CO)NH' . . . 27046 1
6 '2D 1H-15N HSQC' . . . 27046 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.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 VAL C C 13 175.856 0.1 . . . . . . 85 V C . 27046 1
2 . 1 1 2 2 VAL CA C 13 62.450 0.1 . . . . . . 85 V CA . 27046 1
3 . 1 1 2 2 VAL CB C 13 33.230 0.1 . . . . . . 85 V CB . 27046 1
4 . 1 1 3 3 SER H H 1 8.379 0.01 . . . . . . 86 S HN . 27046 1
5 . 1 1 3 3 SER C C 13 174.026 0.1 . . . . . . 86 S C . 27046 1
6 . 1 1 3 3 SER CA C 13 60.810 0.1 . . . . . . 86 S CA . 27046 1
7 . 1 1 3 3 SER CB C 13 63.670 0.1 . . . . . . 86 S CB . 27046 1
8 . 1 1 3 3 SER N N 15 119.454 0.05 . . . . . . 86 S N . 27046 1
9 . 1 1 4 4 GLU H H 1 8.487 0.01 . . . . . . 87 E HN . 27046 1
10 . 1 1 4 4 GLU C C 13 175.451 0.1 . . . . . . 87 E C . 27046 1
11 . 1 1 4 4 GLU CA C 13 56.280 0.1 . . . . . . 87 E CA . 27046 1
12 . 1 1 4 4 GLU CB C 13 31.290 0.1 . . . . . . 87 E CB . 27046 1
13 . 1 1 4 4 GLU N N 15 123.690 0.05 . . . . . . 87 E N . 27046 1
14 . 1 1 5 5 ILE H H 1 8.220 0.01 . . . . . . 88 I HN . 27046 1
15 . 1 1 5 5 ILE C C 13 176.249 0.1 . . . . . . 88 I C . 27046 1
16 . 1 1 5 5 ILE CA C 13 60.850 0.1 . . . . . . 88 I CA . 27046 1
17 . 1 1 5 5 ILE CB C 13 37.720 0.1 . . . . . . 88 I CB . 27046 1
18 . 1 1 5 5 ILE N N 15 122.268 0.05 . . . . . . 88 I N . 27046 1
19 . 1 1 6 6 ARG H H 1 8.338 0.01 . . . . . . 89 R H . 27046 1
20 . 1 1 6 6 ARG CA C 13 54.98 0.1 . . . . . . 89 R CA . 27046 1
21 . 1 1 6 6 ARG N N 15 126.514 0.05 . . . . . . 89 R N . 27046 1
22 . 1 1 7 7 HIS C C 13 176.464 0.1 . . . . . . 90 H C . 27046 1
23 . 1 1 7 7 HIS CA C 13 56.092 0.1 . . . . . . 90 H CA . 27046 1
24 . 1 1 7 7 HIS CB C 13 31.487 0.1 . . . . . . 90 H CB . 27046 1
25 . 1 1 8 8 THR H H 1 8.689 0.01 . . . . . . 91 T HN . 27046 1
26 . 1 1 8 8 THR C C 13 174.466 0.1 . . . . . . 91 T C . 27046 1
27 . 1 1 8 8 THR CA C 13 60.600 0.1 . . . . . . 91 T CA . 27046 1
28 . 1 1 8 8 THR CB C 13 70.770 0.1 . . . . . . 91 T CB . 27046 1
29 . 1 1 8 8 THR N N 15 115.185 0.05 . . . . . . 91 T N . 27046 1
30 . 1 1 9 9 ALA H H 1 8.497 0.01 . . . . . . 92 A HN . 27046 1
31 . 1 1 9 9 ALA HB1 H 1 1.135 0.01 . . . . . . 92 A HB . 27046 1
32 . 1 1 9 9 ALA HB2 H 1 1.135 0.01 . . . . . . 92 A HB . 27046 1
33 . 1 1 9 9 ALA HB3 H 1 1.135 0.01 . . . . . . 92 A HB . 27046 1
34 . 1 1 9 9 ALA C C 13 177.712 0.1 . . . . . . 92 A C . 27046 1
35 . 1 1 9 9 ALA CA C 13 53.650 0.1 . . . . . . 92 A CA . 27046 1
36 . 1 1 9 9 ALA CB C 13 19.060 0.1 . . . . . . 92 A CB . 27046 1
37 . 1 1 9 9 ALA N N 15 123.340 0.05 . . . . . . 92 A N . 27046 1
38 . 1 1 10 10 ASP H H 1 8.227 0.01 . . . . . . 93 D HN . 27046 1
39 . 1 1 10 10 ASP C C 13 176.375 0.1 . . . . . . 93 D C . 27046 1
40 . 1 1 10 10 ASP CA C 13 54.140 0.1 . . . . . . 93 D CA . 27046 1
41 . 1 1 10 10 ASP CB C 13 41.740 0.1 . . . . . . 93 D CB . 27046 1
42 . 1 1 10 10 ASP N N 15 114.544 0.05 . . . . . . 93 D N . 27046 1
43 . 1 1 11 11 ARG H H 1 7.927 0.01 . . . . . . 94 R HN . 27046 1
44 . 1 1 11 11 ARG C C 13 173.972 0.1 . . . . . . 94 R C . 27046 1
45 . 1 1 11 11 ARG CA C 13 55.300 0.1 . . . . . . 94 R CA . 27046 1
46 . 1 1 11 11 ARG CB C 13 33.250 0.1 . . . . . . 94 R CB . 27046 1
47 . 1 1 11 11 ARG N N 15 121.211 0.05 . . . . . . 94 R N . 27046 1
48 . 1 1 12 12 TRP H H 1 9.148 0.01 . . . . . . 95 W HN . 27046 1
49 . 1 1 12 12 TRP C C 13 175.193 0.1 . . . . . . 95 W C . 27046 1
50 . 1 1 12 12 TRP CA C 13 57.374 0.1 . . . . . . 95 W CA . 27046 1
51 . 1 1 12 12 TRP N N 15 128.685 0.05 . . . . . . 95 W N . 27046 1
52 . 1 1 13 13 ARG C C 13 173.634 0.1 . . . . . . 96 R C . 27046 1
53 . 1 1 13 13 ARG CA C 13 55.330 0.1 . . . . . . 96 R CA . 27046 1
54 . 1 1 13 13 ARG CB C 13 33.820 0.1 . . . . . . 96 R CB . 27046 1
55 . 1 1 14 14 VAL H H 1 8.346 0.01 . . . . . . 97 V HN . 27046 1
56 . 1 1 14 14 VAL C C 13 173.800 0.1 . . . . . . 97 V C . 27046 1
57 . 1 1 14 14 VAL CA C 13 59.360 0.1 . . . . . . 97 V CA . 27046 1
58 . 1 1 14 14 VAL CB C 13 35.290 0.1 . . . . . . 97 V CB . 27046 1
59 . 1 1 14 14 VAL N N 15 119.863 0.05 . . . . . . 97 V N . 27046 1
60 . 1 1 15 15 SER H H 1 8.265 0.01 . . . . . . 98 S HN . 27046 1
61 . 1 1 15 15 SER C C 13 172.784 0.1 . . . . . . 98 S C . 27046 1
62 . 1 1 15 15 SER CA C 13 56.977 0.1 . . . . . . 98 S CA . 27046 1
63 . 1 1 15 15 SER CB C 13 66.363 0.1 . . . . . . 98 S CB . 27046 1
64 . 1 1 15 15 SER N N 15 115.758 0.05 . . . . . . 98 S N . 27046 1
65 . 1 1 16 16 LEU H H 1 9.241 0.01 . . . . . . 99 L HN . 27046 1
66 . 1 1 16 16 LEU C C 13 174.712 0.1 . . . . . . 99 L C . 27046 1
67 . 1 1 16 16 LEU CA C 13 54.137 0.1 . . . . . . 99 L CA . 27046 1
68 . 1 1 16 16 LEU CB C 13 45.157 0.1 . . . . . . 99 L CB . 27046 1
69 . 1 1 16 16 LEU N N 15 123.601 0.05 . . . . . . 99 L N . 27046 1
70 . 1 1 17 17 ASP H H 1 8.428 0.01 . . . . . . 100 D HN . 27046 1
71 . 1 1 17 17 ASP C C 13 176.632 0.1 . . . . . . 100 D C . 27046 1
72 . 1 1 17 17 ASP CA C 13 54.671 0.1 . . . . . . 100 D CA . 27046 1
73 . 1 1 17 17 ASP CB C 13 40.835 0.1 . . . . . . 100 D CB . 27046 1
74 . 1 1 17 17 ASP N N 15 123.383 0.05 . . . . . . 100 D N . 27046 1
75 . 1 1 18 18 VAL H H 1 8.799 0.01 . . . . . . 101 V HN . 27046 1
76 . 1 1 18 18 VAL C C 13 176.457 0.1 . . . . . . 101 V C . 27046 1
77 . 1 1 18 18 VAL CA C 13 59.435 0.1 . . . . . . 101 V CA . 27046 1
78 . 1 1 18 18 VAL N N 15 121.203 0.05 . . . . . . 101 V N . 27046 1
79 . 1 1 19 19 ASN H H 1 8.10 0.01 . . . . . . 102 N HN . 27046 1
80 . 1 1 19 19 ASN C C 13 175.657 0.1 . . . . . . 102 N C . 27046 1
81 . 1 1 19 19 ASN CA C 13 56.558 0.1 . . . . . . 102 N CA . 27046 1
82 . 1 1 19 19 ASN CB C 13 38.972 0.1 . . . . . . 102 N CB . 27046 1
83 . 1 1 19 19 ASN N N 15 119.118 0.05 . . . . . . 102 N N . 27046 1
84 . 1 1 20 20 HIS H H 1 7.956 0.01 . . . . . . 103 H HN . 27046 1
85 . 1 1 20 20 HIS C C 13 174.134 0.1 . . . . . . 103 H C . 27046 1
86 . 1 1 20 20 HIS CA C 13 57.931 0.1 . . . . . . 103 H CA . 27046 1
87 . 1 1 20 20 HIS CB C 13 30.240 0.1 . . . . . . 103 H CB . 27046 1
88 . 1 1 20 20 HIS N N 15 113.744 0.05 . . . . . . 103 H N . 27046 1
89 . 1 1 21 21 PHE H H 1 8.342 0.01 . . . . . . 104 F HN . 27046 1
90 . 1 1 21 21 PHE C C 13 174.094 0.1 . . . . . . 104 F C . 27046 1
91 . 1 1 21 21 PHE CA C 13 58.101 0.1 . . . . . . 104 F CA . 27046 1
92 . 1 1 21 21 PHE CB C 13 40.987 0.1 . . . . . . 104 F CB . 27046 1
93 . 1 1 21 21 PHE N N 15 117.361 0.05 . . . . . . 104 F N . 27046 1
94 . 1 1 22 22 ALA H H 1 9.336 0.01 . . . . . . 105 A HN . 27046 1
95 . 1 1 22 22 ALA C C 13 177.115 0.1 . . . . . . 105 A C . 27046 1
96 . 1 1 22 22 ALA CA C 13 49.928 0.1 . . . . . . 105 A CA . 27046 1
97 . 1 1 22 22 ALA N N 15 126.918 0.05 . . . . . . 105 A N . 27046 1
98 . 1 1 23 23 PRO C C 13 178.389 0.1 . . . . . . 106 P C . 27046 1
99 . 1 1 23 23 PRO CA C 13 66.238 0.1 . . . . . . 106 P CA . 27046 1
100 . 1 1 23 23 PRO CB C 13 31.790 0.1 . . . . . . 106 P CB . 27046 1
101 . 1 1 24 24 ASP H H 1 8.205 0.01 . . . . . . 107 D HN . 27046 1
102 . 1 1 24 24 ASP C C 13 176.993 0.1 . . . . . . 107 D C . 27046 1
103 . 1 1 24 24 ASP CA C 13 54.468 0.1 . . . . . . 107 D CA . 27046 1
104 . 1 1 24 24 ASP CB C 13 39.67 0.1 . . . . . . 107 D CB . 27046 1
105 . 1 1 24 24 ASP N N 15 110.354 0.05 . . . . . . 107 D N . 27046 1
106 . 1 1 25 25 GLU H H 1 8.223 0.01 . . . . . . 108 E HN . 27046 1
107 . 1 1 25 25 GLU C C 13 174.932 0.1 . . . . . . 108 E C . 27046 1
108 . 1 1 25 25 GLU CA C 13 55.980 0.1 . . . . . . 108 E CA . 27046 1
109 . 1 1 25 25 GLU CB C 13 30.134 0.1 . . . . . . 108 E CB . 27046 1
110 . 1 1 25 25 GLU N N 15 120.277 0.05 . . . . . . 108 E N . 27046 1
111 . 1 1 26 26 LEU H H 1 7.168 0.01 . . . . . . 109 L HN . 27046 1
112 . 1 1 26 26 LEU C C 13 176.579 0.1 . . . . . . 109 L C . 27046 1
113 . 1 1 26 26 LEU CA C 13 53.165 0.1 . . . . . . 109 L CA . 27046 1
114 . 1 1 26 26 LEU CB C 13 46.283 0.1 . . . . . . 109 L CB . 27046 1
115 . 1 1 26 26 LEU N N 15 120.351 0.05 . . . . . . 109 L N . 27046 1
116 . 1 1 27 27 THR H H 1 8.857 0.01 . . . . . . 110 T HN . 27046 1
117 . 1 1 27 27 THR C C 13 172.765 0.1 . . . . . . 110 T C . 27046 1
118 . 1 1 27 27 THR CA C 13 61.038 0.1 . . . . . . 110 T CA . 27046 1
119 . 1 1 27 27 THR CB C 13 71.786 0.1 . . . . . . 110 T CB . 27046 1
120 . 1 1 27 27 THR N N 15 115.131 0.05 . . . . . . 110 T N . 27046 1
121 . 1 1 28 28 VAL H H 1 8.532 0.01 . . . . . . 111 V HN . 27046 1
122 . 1 1 28 28 VAL C C 13 175.200 0.1 . . . . . . 111 V C . 27046 1
123 . 1 1 28 28 VAL CA C 13 61.704 0.1 . . . . . . 111 V CA . 27046 1
124 . 1 1 28 28 VAL CB C 13 34.050 0.1 . . . . . . 111 V CB . 27046 1
125 . 1 1 28 28 VAL N N 15 124.709 0.05 . . . . . . 111 V N . 27046 1
126 . 1 1 29 29 LYS H H 1 9.133 0.01 . . . . . . 112 K HN . 27046 1
127 . 1 1 29 29 LYS C C 13 174.771 0.1 . . . . . . 112 K C . 27046 1
128 . 1 1 29 29 LYS CA C 13 54.970 0.1 . . . . . . 112 K CA . 27046 1
129 . 1 1 29 29 LYS CB C 13 36.648 0.1 . . . . . . 112 K CB . 27046 1
130 . 1 1 29 29 LYS N N 15 127.749 0.05 . . . . . . 112 K N . 27046 1
131 . 1 1 30 30 THR H H 1 8.601 0.01 . . . . . . 113 T HN . 27046 1
132 . 1 1 30 30 THR C C 13 174.206 0.1 . . . . . . 113 T C . 27046 1
133 . 1 1 30 30 THR CA C 13 61.211 0.1 . . . . . . 113 T CA . 27046 1
134 . 1 1 30 30 THR CB C 13 69.582 0.1 . . . . . . 113 T CB . 27046 1
135 . 1 1 30 30 THR N N 15 118.477 0.05 . . . . . . 113 T N . 27046 1
136 . 1 1 31 31 LYS H H 1 8.734 0.01 . . . . . . 114 K HN . 27046 1
137 . 1 1 31 31 LYS C C 13 175.231 0.1 . . . . . . 114 K C . 27046 1
138 . 1 1 31 31 LYS CA C 13 55.752 0.1 . . . . . . 114 K CA . 27046 1
139 . 1 1 31 31 LYS CB C 13 34.752 0.1 . . . . . . 114 K CB . 27046 1
140 . 1 1 31 31 LYS N N 15 125.406 0.05 . . . . . . 114 K N . 27046 1
141 . 1 1 32 32 ASP H H 1 9.053 0.01 . . . . . . 115 D HN . 27046 1
142 . 1 1 32 32 ASP C C 13 175.938 0.1 . . . . . . 115 D C . 27046 1
143 . 1 1 32 32 ASP CA C 13 55.855 0.1 . . . . . . 115 D CA . 27046 1
144 . 1 1 32 32 ASP CB C 13 39.835 0.1 . . . . . . 115 D CB . 27046 1
145 . 1 1 32 32 ASP N N 15 124.036 0.05 . . . . . . 115 D N . 27046 1
146 . 1 1 33 33 GLY H H 1 8.744 0.01 . . . . . . 116 G HN . 27046 1
147 . 1 1 33 33 GLY C C 13 173.585 0.1 . . . . . . 116 G C . 27046 1
148 . 1 1 33 33 GLY CA C 13 46.023 0.1 . . . . . . 116 G CA . 27046 1
149 . 1 1 33 33 GLY N N 15 105.293 0.05 . . . . . . 116 G N . 27046 1
150 . 1 1 34 34 VAL H H 1 7.875 0.01 . . . . . . 117 V HN . 27046 1
151 . 1 1 34 34 VAL C C 13 174.870 0.1 . . . . . . 117 V C . 27046 1
152 . 1 1 34 34 VAL CA C 13 60.097 0.1 . . . . . . 117 V CA . 27046 1
153 . 1 1 34 34 VAL CB C 13 37.815 0.1 . . . . . . 117 V CB . 27046 1
154 . 1 1 34 34 VAL N N 15 119.951 0.05 . . . . . . 117 V N . 27046 1
155 . 1 1 35 35 VAL H H 1 8.993 0.01 . . . . . . 118 V HN . 27046 1
156 . 1 1 35 35 VAL C C 13 173.817 0.1 . . . . . . 118 V C . 27046 1
157 . 1 1 35 35 VAL CA C 13 61.285 0.1 . . . . . . 118 V CA . 27046 1
158 . 1 1 35 35 VAL CB C 13 33.946 0.1 . . . . . . 118 V CB . 27046 1
159 . 1 1 35 35 VAL N N 15 124.728 0.05 . . . . . . 118 V N . 27046 1
160 . 1 1 36 36 GLU H H 1 9.473 0.01 . . . . . . 119 E HN . 27046 1
161 . 1 1 36 36 GLU C C 13 175.151 0.1 . . . . . . 119 E C . 27046 1
162 . 1 1 36 36 GLU CA C 13 54.748 0.1 . . . . . . 119 E CA . 27046 1
163 . 1 1 36 36 GLU CB C 13 33.044 0.1 . . . . . . 119 E CB . 27046 1
164 . 1 1 36 36 GLU N N 15 129.114 0.05 . . . . . . 119 E N . 27046 1
165 . 1 1 37 37 ILE H H 1 9.768 0.01 . . . . . . 120 I HN . 27046 1
166 . 1 1 37 37 ILE C C 13 174.535 0.1 . . . . . . 120 I C . 27046 1
167 . 1 1 37 37 ILE CA C 13 59.833 0.1 . . . . . . 120 I CA . 27046 1
168 . 1 1 37 37 ILE CB C 13 41.614 0.1 . . . . . . 120 I CB . 27046 1
169 . 1 1 37 37 ILE N N 15 129.661 0.05 . . . . . . 120 I N . 27046 1
170 . 1 1 38 38 THR H H 1 8.738 0.01 . . . . . . 121 T HN . 27046 1
171 . 1 1 38 38 THR C C 13 173.014 0.1 . . . . . . 121 T C . 27046 1
172 . 1 1 38 38 THR CA C 13 60.273 0.1 . . . . . . 121 T CA . 27046 1
173 . 1 1 38 38 THR CB C 13 71.491 0.1 . . . . . . 121 T CB . 27046 1
174 . 1 1 38 38 THR N N 15 122.177 0.05 . . . . . . 121 T N . 27046 1
175 . 1 1 39 39 GLY H H 1 7.461 0.01 . . . . . . 122 G HN . 27046 1
176 . 1 1 39 39 GLY C C 13 172.129 0.1 . . . . . . 122 G C . 27046 1
177 . 1 1 39 39 GLY CA C 13 43.98 0.1 . . . . . . 122 G CA . 27046 1
178 . 1 1 39 39 GLY N N 15 111.962 0.05 . . . . . . 122 G N . 27046 1
179 . 1 1 40 40 LYS H H 1 8.107 0.01 . . . . . . 123 K HN . 27046 1
180 . 1 1 40 40 LYS C C 13 174.619 0.1 . . . . . . 123 K C . 27046 1
181 . 1 1 40 40 LYS CA C 13 53.915 0.1 . . . . . . 123 K CA . 27046 1
182 . 1 1 40 40 LYS CB C 13 35.078 0.1 . . . . . . 123 K CB . 27046 1
183 . 1 1 40 40 LYS N N 15 123.061 0.05 . . . . . . 123 K N . 27046 1
184 . 1 1 41 41 HIS H H 1 9.057 0.01 . . . . . . 124 H HN . 27046 1
185 . 1 1 41 41 HIS C C 13 175.048 0.1 . . . . . . 124 H C . 27046 1
186 . 1 1 41 41 HIS CA C 13 53.911 0.1 . . . . . . 124 H CA . 27046 1
187 . 1 1 41 41 HIS CB C 13 32.815 0.1 . . . . . . 124 H CB . 27046 1
188 . 1 1 41 41 HIS N N 15 122.110 0.05 . . . . . . 124 H N . 27046 1
189 . 1 1 42 42 GLU H H 1 9.054 0.01 . . . . . . 125 E HN . 27046 1
190 . 1 1 42 42 GLU C C 13 176.472 0.1 . . . . . . 125 E C . 27046 1
191 . 1 1 42 42 GLU CA C 13 54.870 0.1 . . . . . . 125 E CA . 27046 1
192 . 1 1 42 42 GLU CB C 13 30.21 0.1 . . . . . . 125 E CB . 27046 1
193 . 1 1 42 42 GLU N N 15 122.487 0.05 . . . . . . 125 E N . 27046 1
194 . 1 1 43 43 GLU H H 1 8.846 0.01 . . . . . . 126 E HN . 27046 1
195 . 1 1 43 43 GLU C C 13 176.095 0.1 . . . . . . 126 E C . 27046 1
196 . 1 1 43 43 GLU CA C 13 53.437 0.1 . . . . . . 126 E CA . 27046 1
197 . 1 1 43 43 GLU CB C 13 32.12 0.1 . . . . . . 126 E CB . 27046 1
198 . 1 1 43 43 GLU N N 15 120.911 0.05 . . . . . . 126 E N . 27046 1
199 . 1 1 44 44 ARG H H 1 8.974 0.01 . . . . . . 127 R HN . 27046 1
200 . 1 1 44 44 ARG C C 13 174.775 0.1 . . . . . . 127 R C . 27046 1
201 . 1 1 44 44 ARG CA C 13 54.294 0.1 . . . . . . 127 R CA . 27046 1
202 . 1 1 44 44 ARG CB C 13 35.459 0.1 . . . . . . 127 R CB . 27046 1
203 . 1 1 44 44 ARG N N 15 124.417 0.05 . . . . . . 127 R N . 27046 1
204 . 1 1 45 45 GLN H H 1 8.794 0.01 . . . . . . 128 Q HN . 27046 1
205 . 1 1 45 45 GLN C C 13 176.236 0.1 . . . . . . 128 Q C . 27046 1
206 . 1 1 45 45 GLN CA C 13 55.586 0.1 . . . . . . 128 Q CA . 27046 1
207 . 1 1 45 45 GLN CB C 13 34.027 0.1 . . . . . . 128 Q CB . 27046 1
208 . 1 1 45 45 GLN N N 15 122.715 0.05 . . . . . . 128 Q N . 27046 1
209 . 1 1 46 46 ASP H H 1 8.970 0.01 . . . . . . 129 D HN . 27046 1
210 . 1 1 46 46 ASP C C 13 176.224 0.1 . . . . . . 129 D C . 27046 1
211 . 1 1 46 46 ASP CA C 13 52.199 0.1 . . . . . . 129 D CA . 27046 1
212 . 1 1 46 46 ASP CB C 13 41.752 0.1 . . . . . . 129 D CB . 27046 1
213 . 1 1 46 46 ASP N N 15 128.214 0.05 . . . . . . 129 D N . 27046 1
214 . 1 1 47 47 GLU H H 1 9.005 0.01 . . . . . . 130 E HN . 27046 1
215 . 1 1 47 47 GLU C C 13 176.768 0.1 . . . . . . 130 E C . 27046 1
216 . 1 1 47 47 GLU CA C 13 58.973 0.1 . . . . . . 130 E CA . 27046 1
217 . 1 1 47 47 GLU CB C 13 28.901 0.1 . . . . . . 130 E CB . 27046 1
218 . 1 1 47 47 GLU N N 15 116.066 0.05 . . . . . . 130 E N . 27046 1
219 . 1 1 48 48 HIS H H 1 7.911 0.01 . . . . . . 131 H HN . 27046 1
220 . 1 1 48 48 HIS C C 13 175.663 0.1 . . . . . . 131 H C . 27046 1
221 . 1 1 48 48 HIS CA C 13 55.803 0.1 . . . . . . 131 H CA . 27046 1
222 . 1 1 48 48 HIS CB C 13 33.046 0.1 . . . . . . 131 H CB . 27046 1
223 . 1 1 48 48 HIS N N 15 115.792 0.05 . . . . . . 131 H N . 27046 1
224 . 1 1 49 49 GLY H H 1 7.527 0.01 . . . . . . 132 G HN . 27046 1
225 . 1 1 49 49 GLY C C 13 170.921 0.1 . . . . . . 132 G C . 27046 1
226 . 1 1 49 49 GLY CA C 13 43.319 0.1 . . . . . . 132 G CA . 27046 1
227 . 1 1 49 49 GLY N N 15 108.342 0.05 . . . . . . 132 G N . 27046 1
228 . 1 1 50 50 TYR H H 1 8.518 0.01 . . . . . . 133 Y HN . 27046 1
229 . 1 1 50 50 TYR C C 13 175.400 0.1 . . . . . . 133 Y C . 27046 1
230 . 1 1 50 50 TYR CA C 13 56.986 0.1 . . . . . . 133 Y CA . 27046 1
231 . 1 1 50 50 TYR CB C 13 42.37 0.1 . . . . . . 133 Y CB . 27046 1
232 . 1 1 50 50 TYR N N 15 121.994 0.05 . . . . . . 133 Y N . 27046 1
233 . 1 1 51 51 ILE H H 1 9.402 0.01 . . . . . . 134 I HN . 27046 1
234 . 1 1 51 51 ILE C C 13 172.800 0.1 . . . . . . 134 I C . 27046 1
235 . 1 1 51 51 ILE CA C 13 58.052 0.1 . . . . . . 134 I CA . 27046 1
236 . 1 1 51 51 ILE CB C 13 42.010 0.1 . . . . . . 134 I CB . 27046 1
237 . 1 1 51 51 ILE N N 15 121.108 0.05 . . . . . . 134 I N . 27046 1
238 . 1 1 52 52 SER H H 1 9.092 0.01 . . . . . . 135 S HN . 27046 1
239 . 1 1 52 52 SER C C 13 172.652 0.1 . . . . . . 135 S C . 27046 1
240 . 1 1 52 52 SER CA C 13 57.142 0.1 . . . . . . 135 S CA . 27046 1
241 . 1 1 52 52 SER CB C 13 65.986 0.1 . . . . . . 135 S CB . 27046 1
242 . 1 1 52 52 SER N N 15 122.342 0.05 . . . . . . 135 S N . 27046 1
243 . 1 1 53 53 ARG H H 1 6.035 0.01 . . . . . . 136 R HN . 27046 1
244 . 1 1 53 53 ARG C C 13 175.189 0.1 . . . . . . 136 R C . 27046 1
245 . 1 1 53 53 ARG CA C 13 55.716 0.1 . . . . . . 136 R CA . 27046 1
246 . 1 1 53 53 ARG CB C 13 37.740 0.1 . . . . . . 136 R CB . 27046 1
247 . 1 1 53 53 ARG N N 15 115.235 0.05 . . . . . . 136 R N . 27046 1
248 . 1 1 54 54 CYS H H 1 9.646 0.01 . . . . . . 137 c HN . 27046 1
249 . 1 1 54 54 CYS C C 13 173.714 0.1 . . . . . . 137 c C . 27046 1
250 . 1 1 54 54 CYS CA C 13 56.782 0.1 . . . . . . 137 c CA . 27046 1
251 . 1 1 54 54 CYS CB C 13 42.12 0.1 . . . . . . 137 c CB . 27046 1
252 . 1 1 54 54 CYS N N 15 117.955 0.05 . . . . . . 137 c N . 27046 1
253 . 1 1 55 55 PHE H H 1 9.019 0.01 . . . . . . 138 F HN . 27046 1
254 . 1 1 55 55 PHE C C 13 173.541 0.1 . . . . . . 138 F C . 27046 1
255 . 1 1 55 55 PHE CA C 13 58.413 0.1 . . . . . . 138 F CA . 27046 1
256 . 1 1 55 55 PHE CB C 13 41.318 0.1 . . . . . . 138 F CB . 27046 1
257 . 1 1 55 55 PHE N N 15 118.703 0.05 . . . . . . 138 F N . 27046 1
258 . 1 1 56 56 THR H H 1 8.414 0.01 . . . . . . 139 T HN . 27046 1
259 . 1 1 56 56 THR C C 13 172.772 0.1 . . . . . . 139 T C . 27046 1
260 . 1 1 56 56 THR CA C 13 62.749 0.1 . . . . . . 139 T CA . 27046 1
261 . 1 1 56 56 THR CB C 13 71.942 0.1 . . . . . . 139 T CB . 27046 1
262 . 1 1 56 56 THR N N 15 116.186 0.05 . . . . . . 139 T N . 27046 1
263 . 1 1 57 57 ARG H H 1 9.899 0.01 . . . . . . 140 R HN . 27046 1
264 . 1 1 57 57 ARG C C 13 176.212 0.1 . . . . . . 140 R C . 27046 1
265 . 1 1 57 57 ARG CA C 13 54.354 0.1 . . . . . . 140 R CA . 27046 1
266 . 1 1 57 57 ARG CB C 13 29.758 0.1 . . . . . . 140 R CB . 27046 1
267 . 1 1 57 57 ARG N N 15 129.372 0.05 . . . . . . 140 R N . 27046 1
268 . 1 1 58 58 LYS H H 1 8.989 0.01 . . . . . . 141 K HN . 27046 1
269 . 1 1 58 58 LYS C C 13 176.212 0.1 . . . . . . 141 K C . 27046 1
270 . 1 1 58 58 LYS CA C 13 54.440 0.1 . . . . . . 141 K CA . 27046 1
271 . 1 1 58 58 LYS CB C 13 36.779 0.1 . . . . . . 141 K CB . 27046 1
272 . 1 1 58 58 LYS N N 15 124.730 0.05 . . . . . . 141 K N . 27046 1
273 . 1 1 59 59 TYR H H 1 9.360 0.01 . . . . . . 142 Y HN . 27046 1
274 . 1 1 59 59 TYR HB2 H 1 3.196 0.01 . . . . . . 142 Y HB2 . 27046 1
275 . 1 1 59 59 TYR HB3 H 1 2.614 0.01 . . . . . . 142 Y HB3 . 27046 1
276 . 1 1 59 59 TYR C C 13 175.586 0.1 . . . . . . 142 Y C . 27046 1
277 . 1 1 59 59 TYR CA C 13 56.776 0.1 . . . . . . 142 Y CA . 27046 1
278 . 1 1 59 59 TYR CB C 13 41.994 0.1 . . . . . . 142 Y CB . 27046 1
279 . 1 1 59 59 TYR N N 15 121.393 0.05 . . . . . . 142 Y N . 27046 1
280 . 1 1 60 60 THR H H 1 8.917 0.01 . . . . . . 143 T HN . 27046 1
281 . 1 1 60 60 THR C C 13 174.471 0.1 . . . . . . 143 T C . 27046 1
282 . 1 1 60 60 THR CA C 13 62.951 0.1 . . . . . . 143 T CA . 27046 1
283 . 1 1 60 60 THR CB C 13 69.156 0.1 . . . . . . 143 T CB . 27046 1
284 . 1 1 60 60 THR N N 15 119.276 0.05 . . . . . . 143 T N . 27046 1
285 . 1 1 61 61 LEU H H 1 8.210 0.01 . . . . . . 144 L HN . 27046 1
286 . 1 1 61 61 LEU C C 13 175.592 0.1 . . . . . . 144 L C . 27046 1
287 . 1 1 61 61 LEU CA C 13 52.619 0.1 . . . . . . 144 L CA . 27046 1
288 . 1 1 61 61 LEU N N 15 128.507 0.05 . . . . . . 144 L N . 27046 1
289 . 1 1 63 63 PRO C C 13 177.621 0.1 . . . . . . 146 P C . 27046 1
290 . 1 1 63 63 PRO CA C 13 63.628 0.1 . . . . . . 146 P CA . 27046 1
291 . 1 1 63 63 PRO CB C 13 31.647 0.1 . . . . . . 146 P CB . 27046 1
292 . 1 1 63 63 PRO CG C 13 27.2663 0.1 . . . . . . 146 P CG . 27046 1
293 . 1 1 64 64 GLY H H 1 8.539 0.01 . . . . . . 147 G HN . 27046 1
294 . 1 1 64 64 GLY C C 13 174.671 0.1 . . . . . . 147 G C . 27046 1
295 . 1 1 64 64 GLY CA C 13 45.217 0.1 . . . . . . 147 G CA . 27046 1
296 . 1 1 64 64 GLY N N 15 109.487 0.05 . . . . . . 147 G N . 27046 1
297 . 1 1 65 65 VAL H H 1 7.075 0.01 . . . . . . 148 V HN . 27046 1
298 . 1 1 65 65 VAL C C 13 175.100 0.1 . . . . . . 148 V C . 27046 1
299 . 1 1 65 65 VAL CA C 13 62.699 0.1 . . . . . . 148 V CA . 27046 1
300 . 1 1 65 65 VAL CB C 13 32.056 0.1 . . . . . . 148 V CB . 27046 1
301 . 1 1 65 65 VAL N N 15 120.349 0.05 . . . . . . 148 V N . 27046 1
302 . 1 1 66 66 ASP H H 1 8.844 0.01 . . . . . . 149 D HN . 27046 1
303 . 1 1 66 66 ASP C C 13 175.359 0.1 . . . . . . 149 D C . 27046 1
304 . 1 1 66 66 ASP CA C 13 50.440 0.1 . . . . . . 149 D CA . 27046 1
305 . 1 1 66 66 ASP N N 15 130.322 0.05 . . . . . . 149 D N . 27046 1
306 . 1 1 67 67 PRO C C 13 178.501 0.1 . . . . . . 150 P C . 27046 1
307 . 1 1 67 67 PRO CA C 13 64.420 0.1 . . . . . . 150 P CA . 27046 1
308 . 1 1 67 67 PRO CB C 13 32.420 0.1 . . . . . . 150 P CB . 27046 1
309 . 1 1 67 67 PRO CG C 13 27.782 0.1 . . . . . . 150 P CG . 27046 1
310 . 1 1 68 68 THR H H 1 8.379 0.01 . . . . . . 151 T HN . 27046 1
311 . 1 1 68 68 THR C C 13 175.980 0.1 . . . . . . 151 T C . 27046 1
312 . 1 1 68 68 THR CA C 13 63.870 0.1 . . . . . . 151 T CA . 27046 1
313 . 1 1 68 68 THR CB C 13 69.254 0.1 . . . . . . 151 T CB . 27046 1
314 . 1 1 68 68 THR N N 15 108.584 0.05 . . . . . . 151 T N . 27046 1
315 . 1 1 69 69 GLN H H 1 8.069 0.01 . . . . . . 152 Q HN . 27046 1
316 . 1 1 69 69 GLN C C 13 174.988 0.1 . . . . . . 152 Q C . 27046 1
317 . 1 1 69 69 GLN CA C 13 55.015 0.1 . . . . . . 152 Q CA . 27046 1
318 . 1 1 69 69 GLN CB C 13 29.395 0.1 . . . . . . 152 Q CB . 27046 1
319 . 1 1 69 69 GLN N N 15 119.118 0.05 . . . . . . 152 Q N . 27046 1
320 . 1 1 70 70 VAL H H 1 6.951 0.01 . . . . . . 153 V HN . 27046 1
321 . 1 1 70 70 VAL C C 13 176.157 0.1 . . . . . . 153 V C . 27046 1
322 . 1 1 70 70 VAL CA C 13 62.754 0.1 . . . . . . 153 V CA . 27046 1
323 . 1 1 70 70 VAL CB C 13 32.200 0.1 . . . . . . 153 V CB . 27046 1
324 . 1 1 70 70 VAL N N 15 120.733 0.05 . . . . . . 153 V N . 27046 1
325 . 1 1 71 71 SER H H 1 9.537 0.01 . . . . . . 154 S HN . 27046 1
326 . 1 1 71 71 SER C C 13 172.165 0.1 . . . . . . 154 S C . 27046 1
327 . 1 1 71 71 SER CA C 13 56.811 0.1 . . . . . . 154 S CA . 27046 1
328 . 1 1 71 71 SER CB C 13 66.154 0.1 . . . . . . 154 S CB . 27046 1
329 . 1 1 71 71 SER N N 15 124.946 0.05 . . . . . . 154 S N . 27046 1
330 . 1 1 72 72 SER H H 1 8.442 0.01 . . . . . . 155 S HN . 27046 1
331 . 1 1 72 72 SER C C 13 173.605 0.1 . . . . . . 155 S C . 27046 1
332 . 1 1 72 72 SER CA C 13 57.002 0.1 . . . . . . 155 S CA . 27046 1
333 . 1 1 72 72 SER CB C 13 67.298 0.1 . . . . . . 155 S CB . 27046 1
334 . 1 1 72 72 SER N N 15 114.067 0.05 . . . . . . 155 S N . 27046 1
335 . 1 1 73 73 SER H H 1 8.726 0.01 . . . . . . 156 S HN . 27046 1
336 . 1 1 73 73 SER C C 13 171.850 0.1 . . . . . . 156 S C . 27046 1
337 . 1 1 73 73 SER CA C 13 57.510 0.1 . . . . . . 156 S CA . 27046 1
338 . 1 1 73 73 SER CB C 13 65.413 0.1 . . . . . . 156 S CB . 27046 1
339 . 1 1 73 73 SER N N 15 114.265 0.05 . . . . . . 156 S N . 27046 1
340 . 1 1 74 74 LEU H H 1 8.667 0.01 . . . . . . 157 L HN . 27046 1
341 . 1 1 74 74 LEU C C 13 176.243 0.1 . . . . . . 157 L C . 27046 1
342 . 1 1 74 74 LEU CA C 13 53.369 0.1 . . . . . . 157 L CA . 27046 1
343 . 1 1 74 74 LEU CB C 13 44.863 0.1 . . . . . . 157 L CB . 27046 1
344 . 1 1 74 74 LEU N N 15 127.124 0.05 . . . . . . 157 L N . 27046 1
345 . 1 1 75 75 SER H H 1 8.938 0.01 . . . . . . 158 S HN . 27046 1
346 . 1 1 75 75 SER C C 13 174.914 0.1 . . . . . . 158 S C . 27046 1
347 . 1 1 75 75 SER CA C 13 56.151 0.1 . . . . . . 158 S CA . 27046 1
348 . 1 1 75 75 SER N N 15 124.246 0.05 . . . . . . 158 S N . 27046 1
349 . 1 1 76 76 PRO C C 13 177.234 0.1 . . . . . . 159 P C . 27046 1
350 . 1 1 76 76 PRO CA C 13 64.691 0.1 . . . . . . 159 P CA . 27046 1
351 . 1 1 76 76 PRO CB C 13 31.820 0.1 . . . . . . 159 P CB . 27046 1
352 . 1 1 76 76 PRO CG C 13 27.782 0.1 . . . . . . 159 P CG . 27046 1
353 . 1 1 77 77 GLU H H 1 7.981 0.01 . . . . . . 160 E HN . 27046 1
354 . 1 1 77 77 GLU C C 13 176.641 0.1 . . . . . . 160 E C . 27046 1
355 . 1 1 77 77 GLU CA C 13 56.786 0.1 . . . . . . 160 E CA . 27046 1
356 . 1 1 77 77 GLU CB C 13 28.859 0.1 . . . . . . 160 E CB . 27046 1
357 . 1 1 77 77 GLU N N 15 113.924 0.05 . . . . . . 160 E N . 27046 1
358 . 1 1 78 78 GLY H H 1 8.166 0.01 . . . . . . 161 G HN . 27046 1
359 . 1 1 78 78 GLY C C 13 172.826 0.1 . . . . . . 161 G C . 27046 1
360 . 1 1 78 78 GLY CA C 13 46.570 0.1 . . . . . . 161 G CA . 27046 1
361 . 1 1 78 78 GLY N N 15 108.228 0.05 . . . . . . 161 G N . 27046 1
362 . 1 1 79 79 THR H H 1 7.469 0.01 . . . . . . 162 T HN . 27046 1
363 . 1 1 79 79 THR C C 13 173.889 0.1 . . . . . . 162 T C . 27046 1
364 . 1 1 79 79 THR CA C 13 61.468 0.1 . . . . . . 162 T CA . 27046 1
365 . 1 1 79 79 THR CB C 13 69.567 0.1 . . . . . . 162 T CB . 27046 1
366 . 1 1 79 79 THR N N 15 114.140 0.05 . . . . . . 162 T N . 27046 1
367 . 1 1 80 80 LEU H H 1 9.584 0.01 . . . . . . 163 L HN . 27046 1
368 . 1 1 80 80 LEU C C 13 174.824 0.1 . . . . . . 163 L C . 27046 1
369 . 1 1 80 80 LEU CA C 13 53.701 0.1 . . . . . . 163 L CA . 27046 1
370 . 1 1 80 80 LEU CB C 13 44.960 0.1 . . . . . . 163 L CB . 27046 1
371 . 1 1 80 80 LEU N N 15 134.550 0.05 . . . . . . 163 L N . 27046 1
372 . 1 1 81 81 THR H H 1 9.227 0.01 . . . . . . 164 T HN . 27046 1
373 . 1 1 81 81 THR C C 13 173.730 0.1 . . . . . . 164 T C . 27046 1
374 . 1 1 81 81 THR CA C 13 61.719 0.1 . . . . . . 164 T CA . 27046 1
375 . 1 1 81 81 THR CB C 13 70.305 0.1 . . . . . . 164 T CB . 27046 1
376 . 1 1 81 81 THR N N 15 123.920 0.05 . . . . . . 164 T N . 27046 1
377 . 1 1 82 82 VAL H H 1 8.921 0.01 . . . . . . 165 V HN . 27046 1
378 . 1 1 82 82 VAL C C 13 173.391 0.1 . . . . . . 165 V C . 27046 1
379 . 1 1 82 82 VAL CA C 13 60.708 0.1 . . . . . . 165 V CA . 27046 1
380 . 1 1 82 82 VAL CB C 13 33.392 0.1 . . . . . . 165 V CB . 27046 1
381 . 1 1 82 82 VAL N N 15 128.824 0.05 . . . . . . 165 V N . 27046 1
382 . 1 1 83 83 GLU H H 1 8.973 0.01 . . . . . . 166 E HN . 27046 1
383 . 1 1 83 83 GLU C C 13 174.361 0.1 . . . . . . 166 E C . 27046 1
384 . 1 1 83 83 GLU CA C 13 54.133 0.1 . . . . . . 166 E CA . 27046 1
385 . 1 1 83 83 GLU CB C 13 35.900 0.1 . . . . . . 166 E CB . 27046 1
386 . 1 1 83 83 GLU N N 15 122.018 0.05 . . . . . . 166 E N . 27046 1
387 . 1 1 84 84 ALA H H 1 9.392 0.01 . . . . . . 167 A HN . 27046 1
388 . 1 1 84 84 ALA C C 13 173.654 0.1 . . . . . . 167 A C . 27046 1
389 . 1 1 84 84 ALA CA C 13 50.401 0.1 . . . . . . 167 A CA . 27046 1
390 . 1 1 84 84 ALA N N 15 120.898 0.05 . . . . . . 167 A N . 27046 1
391 . 1 1 85 85 PRO C C 13 176.317 0.1 . . . . . . 168 P C . 27046 1
392 . 1 1 85 85 PRO CA C 13 62.742 0.1 . . . . . . 168 P CA . 27046 1
393 . 1 1 85 85 PRO CB C 13 32.078 0.1 . . . . . . 168 P CB . 27046 1
394 . 1 1 85 85 PRO CG C 13 27.463 0.1 . . . . . . 168 P CG . 27046 1
395 . 1 1 85 85 PRO CD C 13 50.875 0.1 . . . . . . 168 P CD . 27046 1
396 . 1 1 86 86 MET H H 1 7.813 0.01 . . . . . . 169 M HN . 27046 1
397 . 1 1 86 86 MET C C 13 174.491 0.1 . . . . . . 169 M C . 27046 1
398 . 1 1 86 86 MET CA C 13 52.467 0.1 . . . . . . 169 M CA . 27046 1
399 . 1 1 86 86 MET N N 15 120.595 0.05 . . . . . . 169 M N . 27046 1
400 . 1 1 87 87 PRO C C 13 175.860 0.1 . . . . . . 170 P C . 27046 1
401 . 1 1 87 87 PRO CA C 13 63.208 0.1 . . . . . . 170 P CA . 27046 1
402 . 1 1 87 87 PRO CB C 13 32.082 0.1 . . . . . . 170 P CB . 27046 1
403 . 1 1 87 87 PRO CG C 13 27.541 0.1 . . . . . . 170 P CG . 27046 1
404 . 1 1 87 87 PRO CD C 13 50.556 0.1 . . . . . . 170 P CD . 27046 1
405 . 1 1 88 88 LYS H H 1 8.001 0.01 . . . . . . 171 K HN . 27046 1
406 . 1 1 88 88 LYS C C 13 181.500 0.1 . . . . . . 171 K C . 27046 1
407 . 1 1 88 88 LYS CA C 13 57.563 0.1 . . . . . . 171 K CA . 27046 1
408 . 1 1 88 88 LYS N N 15 126.935 0.05 . . . . . . 171 K N . 27046 1
stop_
save_