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 27654
_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 .
_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' . . . 27654 1
2 '2D 1H-13C HSQC' . . . 27654 1
3 '3D HNCO' . . . 27654 1
4 '3D HN(CA)CO' . . . 27654 1
5 '3D HNCA' . . . 27654 1
6 '3D HN(CO)CA' . . . 27654 1
7 '3D HNCB' . . . 27654 1
8 '3D HN(CO)CB' . . . 27654 1
9 '3D HN(CA)HA' . . . 27654 1
10 '3D HN(COCA)HA' . . . 27654 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 $TOPSPIN . . 27654 1
2 $SPARKY . . 27654 1
3 $MARS . . 27654 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 3 3 MET HA H 1 4.479 0.01 . 1 . . . . . 177 MET HA . 27654 1
2 . 1 1 3 3 MET C C 13 175.898 0.05 . 1 . . . . . 177 MET C . 27654 1
3 . 1 1 3 3 MET CA C 13 55.461 0.1 . 1 . . . . . 177 MET CA . 27654 1
4 . 1 1 4 4 ASP H H 1 8.164 0.01 . 1 . . . . . 178 ASP H . 27654 1
5 . 1 1 4 4 ASP HA H 1 4.582 0.01 . 1 . . . . . 178 ASP HA . 27654 1
6 . 1 1 4 4 ASP C C 13 175.676 0.05 . 1 . . . . . 178 ASP C . 27654 1
7 . 1 1 4 4 ASP CA C 13 54.425 0.1 . 1 . . . . . 178 ASP CA . 27654 1
8 . 1 1 4 4 ASP CB C 13 41.072 0.1 . 1 . . . . . 178 ASP CB . 27654 1
9 . 1 1 4 4 ASP N N 15 120.95 0.05 . 1 . . . . . 178 ASP N . 27654 1
10 . 1 1 5 5 MET H H 1 8.116 0.01 . 1 . . . . . 179 MET H . 27654 1
11 . 1 1 5 5 MET HA H 1 4.787 0.01 . 1 . . . . . 179 MET HA . 27654 1
12 . 1 1 5 5 MET C C 13 174.025 0.05 . 1 . . . . . 179 MET C . 27654 1
13 . 1 1 5 5 MET CA C 13 53.236 0.1 . 1 . . . . . 179 MET CA . 27654 1
14 . 1 1 5 5 MET CB C 13 32.584 0.1 . 1 . . . . . 179 MET CB . 27654 1
15 . 1 1 5 5 MET N N 15 121.397 0.05 . 1 . . . . . 179 MET N . 27654 1
16 . 1 1 6 6 PRO HA H 1 4.462 0.01 . 1 . . . . . 180 PRO HA . 27654 1
17 . 1 1 6 6 PRO C C 13 176.733 0.05 . 1 . . . . . 180 PRO C . 27654 1
18 . 1 1 6 6 PRO CA C 13 63.004 0.1 . 1 . . . . . 180 PRO CA . 27654 1
19 . 1 1 6 6 PRO CB C 13 32.096 0.1 . 1 . . . . . 180 PRO CB . 27654 1
20 . 1 1 7 7 VAL H H 1 8.225 0.01 . 1 . . . . . 181 VAL H . 27654 1
21 . 1 1 7 7 VAL HA H 1 4.056 0.01 . 1 . . . . . 181 VAL HA . 27654 1
22 . 1 1 7 7 VAL C C 13 175.751 0.05 . 1 . . . . . 181 VAL C . 27654 1
23 . 1 1 7 7 VAL CA C 13 62.058 0.1 . 1 . . . . . 181 VAL CA . 27654 1
24 . 1 1 7 7 VAL CB C 13 33.169 0.1 . 1 . . . . . 181 VAL CB . 27654 1
25 . 1 1 7 7 VAL N N 15 120.73 0.05 . 1 . . . . . 181 VAL N . 27654 1
26 . 1 1 8 8 ASP H H 1 8.546 0.01 . 1 . . . . . 182 ASP H . 27654 1
27 . 1 1 8 8 ASP HA H 1 4.909 0.01 . 1 . . . . . 182 ASP HA . 27654 1
28 . 1 1 8 8 ASP CA C 13 51.765 0.1 . 1 . . . . . 182 ASP CA . 27654 1
29 . 1 1 8 8 ASP CB C 13 41.703 0.1 . 1 . . . . . 182 ASP CB . 27654 1
30 . 1 1 8 8 ASP N N 15 126.265 0.05 . 1 . . . . . 182 ASP N . 27654 1
31 . 1 1 9 9 PRO C C 13 176.865 0.05 . 1 . . . . . 183 PRO C . 27654 1
32 . 1 1 9 9 PRO CA C 13 63.667 0.1 . 1 . . . . . 183 PRO CA . 27654 1
33 . 1 1 10 10 ASN H H 1 8.572 0.01 . 1 . . . . . 184 ASN H . 27654 1
34 . 1 1 10 10 ASN HA H 1 4.695 0.01 . 1 . . . . . 184 ASN HA . 27654 1
35 . 1 1 10 10 ASN C C 13 174.964 0.05 . 1 . . . . . 184 ASN C . 27654 1
36 . 1 1 10 10 ASN CA C 13 53.26 0.1 . 1 . . . . . 184 ASN CA . 27654 1
37 . 1 1 10 10 ASN CB C 13 39.131 0.1 . 1 . . . . . 184 ASN CB . 27654 1
38 . 1 1 10 10 ASN N N 15 117.39 0.05 . 1 . . . . . 184 ASN N . 27654 1
39 . 1 1 11 11 GLU H H 1 7.836 0.01 . 1 . . . . . 185 GLU H . 27654 1
40 . 1 1 11 11 GLU HA H 1 4.557 0.01 . 1 . . . . . 185 GLU HA . 27654 1
41 . 1 1 11 11 GLU C C 13 174.042 0.05 . 1 . . . . . 185 GLU C . 27654 1
42 . 1 1 11 11 GLU CA C 13 54.469 0.1 . 1 . . . . . 185 GLU CA . 27654 1
43 . 1 1 11 11 GLU CB C 13 30.187 0.1 . 1 . . . . . 185 GLU CB . 27654 1
44 . 1 1 11 11 GLU N N 15 122.642 0.05 . 1 . . . . . 185 GLU N . 27654 1
45 . 1 1 12 12 PRO HA H 1 4.306 0.01 . 1 . . . . . 186 PRO HA . 27654 1
46 . 1 1 12 12 PRO C C 13 175.326 0.05 . 1 . . . . . 186 PRO C . 27654 1
47 . 1 1 12 12 PRO CA C 13 63.045 0.1 . 1 . . . . . 186 PRO CA . 27654 1
48 . 1 1 12 12 PRO CB C 13 32.173 0.1 . 1 . . . . . 186 PRO CB . 27654 1
49 . 1 1 13 13 THR H H 1 7.55 0.01 . 1 . . . . . 187 THR H . 27654 1
50 . 1 1 13 13 THR HA H 1 4.13 0.01 . 1 . . . . . 187 THR HA . 27654 1
51 . 1 1 13 13 THR C C 13 173.015 0.05 . 1 . . . . . 187 THR C . 27654 1
52 . 1 1 13 13 THR CA C 13 59.659 0.1 . 1 . . . . . 187 THR CA . 27654 1
53 . 1 1 13 13 THR CB C 13 71.323 0.1 . 1 . . . . . 187 THR CB . 27654 1
54 . 1 1 13 13 THR N N 15 109.179 0.05 . 1 . . . . . 187 THR N . 27654 1
55 . 1 1 14 14 TYR H H 1 8.282 0.01 . 1 . . . . . 188 TYR H . 27654 1
56 . 1 1 14 14 TYR C C 13 174.218 0.05 . 1 . . . . . 188 TYR C . 27654 1
57 . 1 1 14 14 TYR CA C 13 57.158 0.1 . 1 . . . . . 188 TYR CA . 27654 1
58 . 1 1 14 14 TYR CB C 13 43.624 0.1 . 1 . . . . . 188 TYR CB . 27654 1
59 . 1 1 14 14 TYR N N 15 118.424 0.05 . 1 . . . . . 188 TYR N . 27654 1
60 . 1 1 15 15 CYS H H 1 7.136 0.01 . 1 . . . . . 189 CYS H . 27654 1
61 . 1 1 15 15 CYS HA H 1 3.676 0.01 . 1 . . . . . 189 CYS HA . 27654 1
62 . 1 1 15 15 CYS C C 13 175.158 0.05 . 1 . . . . . 189 CYS C . 27654 1
63 . 1 1 15 15 CYS CA C 13 59.431 0.1 . 1 . . . . . 189 CYS CA . 27654 1
64 . 1 1 15 15 CYS CB C 13 30.335 0.1 . 1 . . . . . 189 CYS CB . 27654 1
65 . 1 1 15 15 CYS N N 15 115.547 0.05 . 1 . . . . . 189 CYS N . 27654 1
66 . 1 1 16 16 LEU H H 1 9.965 0.01 . 1 . . . . . 190 LEU H . 27654 1
67 . 1 1 16 16 LEU HA H 1 4.342 0.01 . 1 . . . . . 190 LEU HA . 27654 1
68 . 1 1 16 16 LEU C C 13 177.924 0.05 . 1 . . . . . 190 LEU C . 27654 1
69 . 1 1 16 16 LEU CA C 13 56.834 0.1 . 1 . . . . . 190 LEU CA . 27654 1
70 . 1 1 16 16 LEU CB C 13 42.666 0.1 . 1 . . . . . 190 LEU CB . 27654 1
71 . 1 1 16 16 LEU N N 15 126.242 0.05 . 1 . . . . . 190 LEU N . 27654 1
72 . 1 1 17 17 CYS H H 1 7.619 0.01 . 1 . . . . . 191 CYS H . 27654 1
73 . 1 1 17 17 CYS HA H 1 4.624 0.01 . 1 . . . . . 191 CYS HA . 27654 1
74 . 1 1 17 17 CYS C C 13 175.89 0.05 . 1 . . . . . 191 CYS C . 27654 1
75 . 1 1 17 17 CYS CA C 13 57.902 0.1 . 1 . . . . . 191 CYS CA . 27654 1
76 . 1 1 17 17 CYS CB C 13 31.184 0.1 . 1 . . . . . 191 CYS CB . 27654 1
77 . 1 1 17 17 CYS N N 15 114.276 0.05 . 1 . . . . . 191 CYS N . 27654 1
78 . 1 1 18 18 HIS H H 1 7.652 0.01 . 1 . . . . . 192 HIS H . 27654 1
79 . 1 1 18 18 HIS HA H 1 4.372 0.01 . 1 . . . . . 192 HIS HA . 27654 1
80 . 1 1 18 18 HIS C C 13 173.962 0.05 . 1 . . . . . 192 HIS C . 27654 1
81 . 1 1 18 18 HIS CA C 13 56.986 0.1 . 1 . . . . . 192 HIS CA . 27654 1
82 . 1 1 18 18 HIS CB C 13 26.901 0.1 . 1 . . . . . 192 HIS CB . 27654 1
83 . 1 1 18 18 HIS N N 15 119.967 0.05 . 1 . . . . . 192 HIS N . 27654 1
84 . 1 1 19 19 GLN H H 1 8.1 0.01 . 1 . . . . . 193 GLN H . 27654 1
85 . 1 1 19 19 GLN HA H 1 5.073 0.01 . 1 . . . . . 193 GLN HA . 27654 1
86 . 1 1 19 19 GLN C C 13 176.218 0.05 . 1 . . . . . 193 GLN C . 27654 1
87 . 1 1 19 19 GLN CA C 13 54.253 0.1 . 1 . . . . . 193 GLN CA . 27654 1
88 . 1 1 19 19 GLN CB C 13 33.077 0.1 . 1 . . . . . 193 GLN CB . 27654 1
89 . 1 1 19 19 GLN N N 15 117.113 0.05 . 1 . . . . . 193 GLN N . 27654 1
90 . 1 1 20 20 VAL H H 1 8.19 0.01 . 1 . . . . . 194 VAL H . 27654 1
91 . 1 1 20 20 VAL HA H 1 4.563 0.01 . 1 . . . . . 194 VAL HA . 27654 1
92 . 1 1 20 20 VAL C C 13 176.139 0.05 . 1 . . . . . 194 VAL C . 27654 1
93 . 1 1 20 20 VAL CA C 13 61.597 0.1 . 1 . . . . . 194 VAL CA . 27654 1
94 . 1 1 20 20 VAL CB C 13 33.171 0.1 . 1 . . . . . 194 VAL CB . 27654 1
95 . 1 1 20 20 VAL N N 15 113.529 0.05 . 1 . . . . . 194 VAL N . 27654 1
96 . 1 1 21 21 SER H H 1 8.888 0.01 . 1 . . . . . 195 SER H . 27654 1
97 . 1 1 21 21 SER HA H 1 4.065 0.01 . 1 . . . . . 195 SER HA . 27654 1
98 . 1 1 21 21 SER C C 13 174.12 0.05 . 1 . . . . . 195 SER C . 27654 1
99 . 1 1 21 21 SER CA C 13 59.523 0.1 . 1 . . . . . 195 SER CA . 27654 1
100 . 1 1 21 21 SER CB C 13 63.352 0.1 . 1 . . . . . 195 SER CB . 27654 1
101 . 1 1 21 21 SER N N 15 115.365 0.05 . 1 . . . . . 195 SER N . 27654 1
102 . 1 1 22 22 TYR H H 1 7.412 0.01 . 1 . . . . . 196 TYR H . 27654 1
103 . 1 1 22 22 TYR HA H 1 4.634 0.01 . 1 . . . . . 196 TYR HA . 27654 1
104 . 1 1 22 22 TYR C C 13 174.701 0.05 . 1 . . . . . 196 TYR C . 27654 1
105 . 1 1 22 22 TYR CA C 13 57.993 0.1 . 1 . . . . . 196 TYR CA . 27654 1
106 . 1 1 22 22 TYR N N 15 120.159 0.05 . 1 . . . . . 196 TYR N . 27654 1
107 . 1 1 23 23 GLY H H 1 8.673 0.01 . 1 . . . . . 197 GLY H . 27654 1
108 . 1 1 23 23 GLY C C 13 173.265 0.05 . 1 . . . . . 197 GLY C . 27654 1
109 . 1 1 23 23 GLY CA C 13 45.725 0.1 . 1 . . . . . 197 GLY CA . 27654 1
110 . 1 1 23 23 GLY N N 15 109.028 0.05 . 1 . . . . . 197 GLY N . 27654 1
111 . 1 1 24 24 GLU H H 1 8.281 0.01 . 1 . . . . . 198 GLU H . 27654 1
112 . 1 1 24 24 GLU C C 13 176.086 0.05 . 1 . . . . . 198 GLU C . 27654 1
113 . 1 1 24 24 GLU CA C 13 56.651 0.1 . 1 . . . . . 198 GLU CA . 27654 1
114 . 1 1 24 24 GLU CB C 13 28.413 0.1 . 1 . . . . . 198 GLU CB . 27654 1
115 . 1 1 24 24 GLU N N 15 122.302 0.05 . 1 . . . . . 198 GLU N . 27654 1
116 . 1 1 25 25 MET H H 1 8.322 0.01 . 1 . . . . . 199 MET H . 27654 1
117 . 1 1 25 25 MET HA H 1 5.505 0.01 . 1 . . . . . 199 MET HA . 27654 1
118 . 1 1 25 25 MET C C 13 175.17 0.05 . 1 . . . . . 199 MET C . 27654 1
119 . 1 1 25 25 MET CA C 13 53.063 0.1 . 1 . . . . . 199 MET CA . 27654 1
120 . 1 1 25 25 MET CB C 13 34.577 0.1 . 1 . . . . . 199 MET CB . 27654 1
121 . 1 1 25 25 MET N N 15 124.114 0.05 . 1 . . . . . 199 MET N . 27654 1
122 . 1 1 26 26 ILE H H 1 9.69 0.01 . 1 . . . . . 200 ILE H . 27654 1
123 . 1 1 26 26 ILE HA H 1 4.763 0.01 . 1 . . . . . 200 ILE HA . 27654 1
124 . 1 1 26 26 ILE C C 13 172.088 0.05 . 1 . . . . . 200 ILE C . 27654 1
125 . 1 1 26 26 ILE CA C 13 58.434 0.1 . 1 . . . . . 200 ILE CA . 27654 1
126 . 1 1 26 26 ILE CB C 13 42.532 0.1 . 1 . . . . . 200 ILE CB . 27654 1
127 . 1 1 26 26 ILE N N 15 121.9 0.05 . 1 . . . . . 200 ILE N . 27654 1
128 . 1 1 27 27 GLY H H 1 8.352 0.01 . 1 . . . . . 201 GLY H . 27654 1
129 . 1 1 27 27 GLY C C 13 172.927 0.05 . 1 . . . . . 201 GLY C . 27654 1
130 . 1 1 27 27 GLY CA C 13 43.302 0.1 . 1 . . . . . 201 GLY CA . 27654 1
131 . 1 1 27 27 GLY N N 15 116.26 0.05 . 1 . . . . . 201 GLY N . 27654 1
132 . 1 1 28 28 CYS H H 1 8.446 0.01 . 1 . . . . . 202 CYS H . 27654 1
133 . 1 1 28 28 CYS HA H 1 4.552 0.01 . 1 . . . . . 202 CYS HA . 27654 1
134 . 1 1 28 28 CYS C C 13 176.956 0.05 . 1 . . . . . 202 CYS C . 27654 1
135 . 1 1 28 28 CYS CA C 13 60.381 0.1 . 1 . . . . . 202 CYS CA . 27654 1
136 . 1 1 28 28 CYS CB C 13 32.337 0.1 . 1 . . . . . 202 CYS CB . 27654 1
137 . 1 1 28 28 CYS N N 15 126.286 0.05 . 1 . . . . . 202 CYS N . 27654 1
138 . 1 1 29 29 ASP H H 1 8.986 0.01 . 1 . . . . . 203 ASP H . 27654 1
139 . 1 1 29 29 ASP HA H 1 4.681 0.01 . 1 . . . . . 203 ASP HA . 27654 1
140 . 1 1 29 29 ASP C C 13 176.611 0.05 . 1 . . . . . 203 ASP C . 27654 1
141 . 1 1 29 29 ASP CA C 13 56.736 0.1 . 1 . . . . . 203 ASP CA . 27654 1
142 . 1 1 29 29 ASP CB C 13 40.921 0.1 . 1 . . . . . 203 ASP CB . 27654 1
143 . 1 1 29 29 ASP N N 15 127.028 0.05 . 1 . . . . . 203 ASP N . 27654 1
144 . 1 1 30 30 ASN H H 1 8.899 0.01 . 1 . . . . . 204 ASN H . 27654 1
145 . 1 1 30 30 ASN HA H 1 5.185 0.01 . 1 . . . . . 204 ASN HA . 27654 1
146 . 1 1 30 30 ASN C C 13 175.066 0.05 . 1 . . . . . 204 ASN C . 27654 1
147 . 1 1 30 30 ASN CA C 13 50.992 0.1 . 1 . . . . . 204 ASN CA . 27654 1
148 . 1 1 30 30 ASN CB C 13 38.702 0.1 . 1 . . . . . 204 ASN CB . 27654 1
149 . 1 1 30 30 ASN N N 15 123.368 0.05 . 1 . . . . . 204 ASN N . 27654 1
150 . 1 1 31 31 PRO HA H 1 4.416 0.01 . 1 . . . . . 205 PRO HA . 27654 1
151 . 1 1 31 31 PRO C C 13 176.774 0.05 . 1 . . . . . 205 PRO C . 27654 1
152 . 1 1 31 31 PRO CA C 13 64.433 0.1 . 1 . . . . . 205 PRO CA . 27654 1
153 . 1 1 31 31 PRO CB C 13 32.062 0.1 . 1 . . . . . 205 PRO CB . 27654 1
154 . 1 1 32 32 ASP H H 1 7.243 0.01 . 1 . . . . . 206 ASP H . 27654 1
155 . 1 1 32 32 ASP HA H 1 4.79 0.01 . 1 . . . . . 206 ASP HA . 27654 1
156 . 1 1 32 32 ASP C C 13 175.02 0.05 . 1 . . . . . 206 ASP C . 27654 1
157 . 1 1 32 32 ASP CA C 13 53.367 0.1 . 1 . . . . . 206 ASP CA . 27654 1
158 . 1 1 32 32 ASP CB C 13 41.176 0.1 . 1 . . . . . 206 ASP CB . 27654 1
159 . 1 1 32 32 ASP N N 15 115.259 0.05 . 1 . . . . . 206 ASP N . 27654 1
160 . 1 1 33 33 CYS H H 1 7.705 0.01 . 1 . . . . . 207 CYS H . 27654 1
161 . 1 1 33 33 CYS HA H 1 4.052 0.01 . 1 . . . . . 207 CYS HA . 27654 1
162 . 1 1 33 33 CYS C C 13 176.321 0.05 . 1 . . . . . 207 CYS C . 27654 1
163 . 1 1 33 33 CYS CA C 13 59.335 0.1 . 1 . . . . . 207 CYS CA . 27654 1
164 . 1 1 33 33 CYS CB C 13 31.289 0.1 . 1 . . . . . 207 CYS CB . 27654 1
165 . 1 1 33 33 CYS N N 15 126.633 0.05 . 1 . . . . . 207 CYS N . 27654 1
166 . 1 1 34 34 PRO HA H 1 4.593 0.01 . 1 . . . . . 208 PRO HA . 27654 1
167 . 1 1 34 34 PRO C C 13 176.737 0.05 . 1 . . . . . 208 PRO C . 27654 1
168 . 1 1 34 34 PRO CA C 13 63.908 0.1 . 1 . . . . . 208 PRO CA . 27654 1
169 . 1 1 35 35 ILE H H 1 8.575 0.01 . 1 . . . . . 209 ILE H . 27654 1
170 . 1 1 35 35 ILE HA H 1 4.145 0.01 . 1 . . . . . 209 ILE HA . 27654 1
171 . 1 1 35 35 ILE C C 13 177.636 0.05 . 1 . . . . . 209 ILE C . 27654 1
172 . 1 1 35 35 ILE CA C 13 63.162 0.1 . 1 . . . . . 209 ILE CA . 27654 1
173 . 1 1 35 35 ILE CB C 13 40.333 0.1 . 1 . . . . . 209 ILE CB . 27654 1
174 . 1 1 35 35 ILE N N 15 124.099 0.05 . 1 . . . . . 209 ILE N . 27654 1
175 . 1 1 36 36 GLU H H 1 9.56 0.01 . 1 . . . . . 210 GLU H . 27654 1
176 . 1 1 36 36 GLU HA H 1 3.743 0.01 . 1 . . . . . 210 GLU HA . 27654 1
177 . 1 1 36 36 GLU C C 13 176.022 0.05 . 1 . . . . . 210 GLU C . 27654 1
178 . 1 1 36 36 GLU CA C 13 63.147 0.1 . 1 . . . . . 210 GLU CA . 27654 1
179 . 1 1 36 36 GLU CB C 13 30.148 0.1 . 1 . . . . . 210 GLU CB . 27654 1
180 . 1 1 36 36 GLU N N 15 120.291 0.05 . 1 . . . . . 210 GLU N . 27654 1
181 . 1 1 37 37 TRP H H 1 7.943 0.01 . 1 . . . . . 211 TRP H . 27654 1
182 . 1 1 37 37 TRP HA H 1 5.362 0.01 . 1 . . . . . 211 TRP HA . 27654 1
183 . 1 1 37 37 TRP C C 13 174.836 0.05 . 1 . . . . . 211 TRP C . 27654 1
184 . 1 1 37 37 TRP CA C 13 56.122 0.1 . 1 . . . . . 211 TRP CA . 27654 1
185 . 1 1 37 37 TRP CB C 13 33.373 0.1 . 1 . . . . . 211 TRP CB . 27654 1
186 . 1 1 37 37 TRP N N 15 120.478 0.05 . 1 . . . . . 211 TRP N . 27654 1
187 . 1 1 38 38 PHE H H 1 9.201 0.01 . 1 . . . . . 212 PHE H . 27654 1
188 . 1 1 38 38 PHE C C 13 176.143 0.05 . 1 . . . . . 212 PHE C . 27654 1
189 . 1 1 38 38 PHE CA C 13 56.205 0.1 . 1 . . . . . 212 PHE CA . 27654 1
190 . 1 1 38 38 PHE CB C 13 42.825 0.1 . 1 . . . . . 212 PHE CB . 27654 1
191 . 1 1 38 38 PHE N N 15 117.238 0.05 . 1 . . . . . 212 PHE N . 27654 1
192 . 1 1 39 39 HIS H H 1 9.41 0.01 . 1 . . . . . 213 HIS H . 27654 1
193 . 1 1 39 39 HIS HA H 1 5 0.01 . 1 . . . . . 213 HIS HA . 27654 1
194 . 1 1 39 39 HIS C C 13 178.16 0.05 . 1 . . . . . 213 HIS C . 27654 1
195 . 1 1 39 39 HIS CA C 13 57.928 0.1 . 1 . . . . . 213 HIS CA . 27654 1
196 . 1 1 39 39 HIS CB C 13 30.829 0.1 . 1 . . . . . 213 HIS CB . 27654 1
197 . 1 1 39 39 HIS N N 15 122.788 0.05 . 1 . . . . . 213 HIS N . 27654 1
198 . 1 1 40 40 PHE H H 1 8.44 0.01 . 1 . . . . . 214 PHE H . 27654 1
199 . 1 1 40 40 PHE HA H 1 3.951 0.01 . 1 . . . . . 214 PHE HA . 27654 1
200 . 1 1 40 40 PHE C C 13 178.544 0.05 . 1 . . . . . 214 PHE C . 27654 1
201 . 1 1 40 40 PHE CA C 13 60.869 0.1 . 1 . . . . . 214 PHE CA . 27654 1
202 . 1 1 40 40 PHE CB C 13 37.854 0.1 . 1 . . . . . 214 PHE CB . 27654 1
203 . 1 1 40 40 PHE N N 15 124.375 0.05 . 1 . . . . . 214 PHE N . 27654 1
204 . 1 1 41 41 ALA H H 1 9.006 0.01 . 1 . . . . . 215 ALA H . 27654 1
205 . 1 1 41 41 ALA HA H 1 4.358 0.01 . 1 . . . . . 215 ALA HA . 27654 1
206 . 1 1 41 41 ALA C C 13 181.063 0.05 . 1 . . . . . 215 ALA C . 27654 1
207 . 1 1 41 41 ALA CA C 13 55.186 0.1 . 1 . . . . . 215 ALA CA . 27654 1
208 . 1 1 41 41 ALA CB C 13 18.445 0.1 . 1 . . . . . 215 ALA CB . 27654 1
209 . 1 1 41 41 ALA N N 15 116.148 0.05 . 1 . . . . . 215 ALA N . 27654 1
210 . 1 1 42 42 CYS H H 1 7.437 0.01 . 1 . . . . . 216 CYS H . 27654 1
211 . 1 1 42 42 CYS HA H 1 4.282 0.01 . 1 . . . . . 216 CYS HA . 27654 1
212 . 1 1 42 42 CYS C C 13 176.654 0.05 . 1 . . . . . 216 CYS C . 27654 1
213 . 1 1 42 42 CYS CA C 13 62.323 0.1 . 1 . . . . . 216 CYS CA . 27654 1
214 . 1 1 42 42 CYS CB C 13 30.645 0.1 . 1 . . . . . 216 CYS CB . 27654 1
215 . 1 1 42 42 CYS N N 15 116.982 0.05 . 1 . . . . . 216 CYS N . 27654 1
216 . 1 1 43 43 VAL H H 1 7.38 0.01 . 1 . . . . . 217 VAL H . 27654 1
217 . 1 1 43 43 VAL HA H 1 4.664 0.01 . 1 . . . . . 217 VAL HA . 27654 1
218 . 1 1 43 43 VAL C C 13 173.818 0.05 . 1 . . . . . 217 VAL C . 27654 1
219 . 1 1 43 43 VAL CA C 13 60.01 0.1 . 1 . . . . . 217 VAL CA . 27654 1
220 . 1 1 43 43 VAL CB C 13 31.235 0.1 . 1 . . . . . 217 VAL CB . 27654 1
221 . 1 1 43 43 VAL N N 15 108.156 0.05 . 1 . . . . . 217 VAL N . 27654 1
222 . 1 1 44 44 ASP H H 1 7.656 0.01 . 1 . . . . . 218 ASP H . 27654 1
223 . 1 1 44 44 ASP HA H 1 4.308 0.01 . 1 . . . . . 218 ASP HA . 27654 1
224 . 1 1 44 44 ASP C C 13 174.773 0.05 . 1 . . . . . 218 ASP C . 27654 1
225 . 1 1 44 44 ASP CA C 13 55.739 0.1 . 1 . . . . . 218 ASP CA . 27654 1
226 . 1 1 44 44 ASP CB C 13 39.427 0.1 . 1 . . . . . 218 ASP CB . 27654 1
227 . 1 1 44 44 ASP N N 15 115.955 0.05 . 1 . . . . . 218 ASP N . 27654 1
228 . 1 1 45 45 LEU H H 1 7.886 0.01 . 1 . . . . . 219 LEU H . 27654 1
229 . 1 1 45 45 LEU HA H 1 4.671 0.01 . 1 . . . . . 219 LEU HA . 27654 1
230 . 1 1 45 45 LEU C C 13 177.299 0.05 . 1 . . . . . 219 LEU C . 27654 1
231 . 1 1 45 45 LEU CA C 13 53.782 0.1 . 1 . . . . . 219 LEU CA . 27654 1
232 . 1 1 45 45 LEU CB C 13 44.581 0.1 . 1 . . . . . 219 LEU CB . 27654 1
233 . 1 1 45 45 LEU N N 15 117.711 0.05 . 1 . . . . . 219 LEU N . 27654 1
234 . 1 1 46 46 THR C C 13 174.446 0.05 . 1 . . . . . 220 THR C . 27654 1
235 . 1 1 46 46 THR CA C 13 62.259 0.1 . 1 . . . . . 220 THR CA . 27654 1
236 . 1 1 46 46 THR CB C 13 70.09 0.1 . 1 . . . . . 220 THR CB . 27654 1
237 . 1 1 47 47 THR H H 1 7.465 0.01 . 1 . . . . . 221 THR H . 27654 1
238 . 1 1 47 47 THR HA H 1 4.55 0.01 . 1 . . . . . 221 THR HA . 27654 1
239 . 1 1 47 47 THR C C 13 172.573 0.05 . 1 . . . . . 221 THR C . 27654 1
240 . 1 1 47 47 THR CA C 13 60.158 0.1 . 1 . . . . . 221 THR CA . 27654 1
241 . 1 1 47 47 THR CB C 13 71.043 0.1 . 1 . . . . . 221 THR CB . 27654 1
242 . 1 1 47 47 THR N N 15 114.943 0.05 . 1 . . . . . 221 THR N . 27654 1
243 . 1 1 48 48 LYS H H 1 8.662 0.01 . 1 . . . . . 222 LYS H . 27654 1
244 . 1 1 48 48 LYS HA H 1 4.016 0.01 . 1 . . . . . 222 LYS HA . 27654 1
245 . 1 1 48 48 LYS C C 13 174.628 0.05 . 1 . . . . . 222 LYS C . 27654 1
246 . 1 1 48 48 LYS CA C 13 55.275 0.1 . 1 . . . . . 222 LYS CA . 27654 1
247 . 1 1 48 48 LYS CB C 13 33.055 0.1 . 1 . . . . . 222 LYS CB . 27654 1
248 . 1 1 48 48 LYS N N 15 126.102 0.05 . 1 . . . . . 222 LYS N . 27654 1
249 . 1 1 49 49 PRO C C 13 176.289 0.05 . 1 . . . . . 223 PRO C . 27654 1
250 . 1 1 49 49 PRO CA C 13 62.9 0.1 . 1 . . . . . 223 PRO CA . 27654 1
251 . 1 1 50 50 LYS H H 1 8.538 0.01 . 1 . . . . . 224 LYS H . 27654 1
252 . 1 1 50 50 LYS HA H 1 4.314 0.01 . 1 . . . . . 224 LYS HA . 27654 1
253 . 1 1 50 50 LYS C C 13 177.345 0.05 . 1 . . . . . 224 LYS C . 27654 1
254 . 1 1 50 50 LYS CA C 13 56.606 0.1 . 1 . . . . . 224 LYS CA . 27654 1
255 . 1 1 50 50 LYS CB C 13 32.775 0.1 . 1 . . . . . 224 LYS CB . 27654 1
256 . 1 1 50 50 LYS N N 15 121.442 0.05 . 1 . . . . . 224 LYS N . 27654 1
257 . 1 1 51 51 GLY H H 1 8.092 0.01 . 1 . . . . . 225 GLY H . 27654 1
258 . 1 1 51 51 GLY C C 13 173.245 0.05 . 1 . . . . . 225 GLY C . 27654 1
259 . 1 1 51 51 GLY CA C 13 44.377 0.1 . 1 . . . . . 225 GLY CA . 27654 1
260 . 1 1 51 51 GLY N N 15 110.382 0.05 . 1 . . . . . 225 GLY N . 27654 1
261 . 1 1 52 52 LYS H H 1 8.197 0.01 . 1 . . . . . 226 LYS H . 27654 1
262 . 1 1 52 52 LYS HA H 1 4.294 0.01 . 1 . . . . . 226 LYS HA . 27654 1
263 . 1 1 52 52 LYS C C 13 176.443 0.05 . 1 . . . . . 226 LYS C . 27654 1
264 . 1 1 52 52 LYS CA C 13 56.277 0.1 . 1 . . . . . 226 LYS CA . 27654 1
265 . 1 1 52 52 LYS CB C 13 33.809 0.1 . 1 . . . . . 226 LYS CB . 27654 1
266 . 1 1 52 52 LYS N N 15 120.499 0.05 . 1 . . . . . 226 LYS N . 27654 1
267 . 1 1 53 53 TRP H H 1 9.677 0.01 . 1 . . . . . 227 TRP H . 27654 1
268 . 1 1 53 53 TRP HA H 1 4.344 0.01 . 1 . . . . . 227 TRP HA . 27654 1
269 . 1 1 53 53 TRP C C 13 172.123 0.05 . 1 . . . . . 227 TRP C . 27654 1
270 . 1 1 53 53 TRP CA C 13 59.038 0.1 . 1 . . . . . 227 TRP CA . 27654 1
271 . 1 1 53 53 TRP CB C 13 31.284 0.1 . 1 . . . . . 227 TRP CB . 27654 1
272 . 1 1 53 53 TRP N N 15 126.516 0.05 . 1 . . . . . 227 TRP N . 27654 1
273 . 1 1 54 54 PHE H H 1 6.91 0.01 . 1 . . . . . 228 PHE H . 27654 1
274 . 1 1 54 54 PHE HA H 1 5.071 0.01 . 1 . . . . . 228 PHE HA . 27654 1
275 . 1 1 54 54 PHE C C 13 173.333 0.05 . 1 . . . . . 228 PHE C . 27654 1
276 . 1 1 54 54 PHE CA C 13 54.096 0.1 . 1 . . . . . 228 PHE CA . 27654 1
277 . 1 1 54 54 PHE CB C 13 41.904 0.1 . 1 . . . . . 228 PHE CB . 27654 1
278 . 1 1 54 54 PHE N N 15 123.785 0.05 . 1 . . . . . 228 PHE N . 27654 1
279 . 1 1 55 55 CYS H H 1 8.769 0.01 . 1 . . . . . 229 CYS H . 27654 1
280 . 1 1 55 55 CYS HA H 1 3.536 0.01 . 1 . . . . . 229 CYS HA . 27654 1
281 . 1 1 55 55 CYS C C 13 172.974 0.05 . 1 . . . . . 229 CYS C . 27654 1
282 . 1 1 55 55 CYS CA C 13 57.139 0.1 . 1 . . . . . 229 CYS CA . 27654 1
283 . 1 1 55 55 CYS CB C 13 30.894 0.1 . 1 . . . . . 229 CYS CB . 27654 1
284 . 1 1 55 55 CYS N N 15 125.978 0.05 . 1 . . . . . 229 CYS N . 27654 1
285 . 1 1 56 56 PRO HA H 1 4.108 0.01 . 1 . . . . . 230 PRO HA . 27654 1
286 . 1 1 56 56 PRO C C 13 179.319 0.05 . 1 . . . . . 230 PRO C . 27654 1
287 . 1 1 56 56 PRO CA C 13 65.514 0.1 . 1 . . . . . 230 PRO CA . 27654 1
288 . 1 1 56 56 PRO CB C 13 32.238 0.1 . 1 . . . . . 230 PRO CB . 27654 1
289 . 1 1 57 57 ARG H H 1 8.105 0.01 . 1 . . . . . 231 ARG H . 27654 1
290 . 1 1 57 57 ARG HA H 1 4.22 0.01 . 1 . . . . . 231 ARG HA . 27654 1
291 . 1 1 57 57 ARG C C 13 178.687 0.05 . 1 . . . . . 231 ARG C . 27654 1
292 . 1 1 57 57 ARG CA C 13 58.23 0.1 . 1 . . . . . 231 ARG CA . 27654 1
293 . 1 1 57 57 ARG CB C 13 29.805 0.1 . 1 . . . . . 231 ARG CB . 27654 1
294 . 1 1 57 57 ARG N N 15 117.618 0.05 . 1 . . . . . 231 ARG N . 27654 1
295 . 1 1 58 58 CYS H H 1 8.868 0.01 . 1 . . . . . 232 CYS H . 27654 1
296 . 1 1 58 58 CYS HA H 1 3.957 0.01 . 1 . . . . . 232 CYS HA . 27654 1
297 . 1 1 58 58 CYS C C 13 178.449 0.05 . 1 . . . . . 232 CYS C . 27654 1
298 . 1 1 58 58 CYS CA C 13 64.538 0.1 . 1 . . . . . 232 CYS CA . 27654 1
299 . 1 1 58 58 CYS CB C 13 29.361 0.1 . 1 . . . . . 232 CYS CB . 27654 1
300 . 1 1 58 58 CYS N N 15 126.114 0.05 . 1 . . . . . 232 CYS N . 27654 1
301 . 1 1 59 59 VAL H H 1 8.554 0.01 . 1 . . . . . 233 VAL H . 27654 1
302 . 1 1 59 59 VAL HA H 1 3.425 0.01 . 1 . . . . . 233 VAL HA . 27654 1
303 . 1 1 59 59 VAL C C 13 177.547 0.05 . 1 . . . . . 233 VAL C . 27654 1
304 . 1 1 59 59 VAL CA C 13 65.814 0.1 . 1 . . . . . 233 VAL CA . 27654 1
305 . 1 1 59 59 VAL CB C 13 31.683 0.1 . 1 . . . . . 233 VAL CB . 27654 1
306 . 1 1 59 59 VAL N N 15 120.146 0.05 . 1 . . . . . 233 VAL N . 27654 1
307 . 1 1 60 60 GLN H H 1 7.486 0.01 . 1 . . . . . 234 GLN H . 27654 1
308 . 1 1 60 60 GLN HA H 1 4.008 0.01 . 1 . . . . . 234 GLN HA . 27654 1
309 . 1 1 60 60 GLN C C 13 177.845 0.05 . 1 . . . . . 234 GLN C . 27654 1
310 . 1 1 60 60 GLN CA C 13 57.872 0.1 . 1 . . . . . 234 GLN CA . 27654 1
311 . 1 1 60 60 GLN CB C 13 28.609 0.1 . 1 . . . . . 234 GLN CB . 27654 1
312 . 1 1 60 60 GLN N N 15 118.661 0.05 . 1 . . . . . 234 GLN N . 27654 1
313 . 1 1 61 61 GLU H H 1 7.905 0.01 . 1 . . . . . 235 GLU H . 27654 1
314 . 1 1 61 61 GLU HA H 1 4.044 0.01 . 1 . . . . . 235 GLU HA . 27654 1
315 . 1 1 61 61 GLU C C 13 177.801 0.05 . 1 . . . . . 235 GLU C . 27654 1
316 . 1 1 61 61 GLU CA C 13 57.999 0.1 . 1 . . . . . 235 GLU CA . 27654 1
317 . 1 1 61 61 GLU CB C 13 29.938 0.1 . 1 . . . . . 235 GLU CB . 27654 1
318 . 1 1 61 61 GLU N N 15 119.339 0.05 . 1 . . . . . 235 GLU N . 27654 1
319 . 1 1 62 62 LYS H H 1 7.814 0.01 . 1 . . . . . 236 LYS H . 27654 1
320 . 1 1 62 62 LYS HA H 1 4.086 0.01 . 1 . . . . . 236 LYS HA . 27654 1
321 . 1 1 62 62 LYS C C 13 177.418 0.05 . 1 . . . . . 236 LYS C . 27654 1
322 . 1 1 62 62 LYS CA C 13 57.231 0.1 . 1 . . . . . 236 LYS CA . 27654 1
323 . 1 1 62 62 LYS CB C 13 32.185 0.1 . 1 . . . . . 236 LYS CB . 27654 1
324 . 1 1 62 62 LYS N N 15 119.051 0.05 . 1 . . . . . 236 LYS N . 27654 1
325 . 1 1 63 63 ARG H H 1 7.742 0.01 . 1 . . . . . 237 ARG H . 27654 1
326 . 1 1 63 63 ARG C C 13 176.523 0.05 . 1 . . . . . 237 ARG C . 27654 1
327 . 1 1 63 63 ARG CA C 13 56.786 0.1 . 1 . . . . . 237 ARG CA . 27654 1
328 . 1 1 63 63 ARG CB C 13 30.67 0.1 . 1 . . . . . 237 ARG CB . 27654 1
329 . 1 1 63 63 ARG N N 15 119.339 0.05 . 1 . . . . . 237 ARG N . 27654 1
330 . 1 1 64 64 LYS H H 1 7.847 0.01 . 1 . . . . . 238 LYS H . 27654 1
331 . 1 1 64 64 LYS C C 13 176.449 0.05 . 1 . . . . . 238 LYS C . 27654 1
332 . 1 1 64 64 LYS CA C 13 56.734 0.1 . 1 . . . . . 238 LYS CA . 27654 1
333 . 1 1 64 64 LYS N N 15 120.995 0.05 . 1 . . . . . 238 LYS N . 27654 1
334 . 1 1 65 65 LYS H H 1 8.115 0.01 . 1 . . . . . 239 LYS H . 27654 1
335 . 1 1 65 65 LYS HA H 1 4.295 0.01 . 1 . . . . . 239 LYS HA . 27654 1
336 . 1 1 65 65 LYS C C 13 175.588 0.05 . 1 . . . . . 239 LYS C . 27654 1
337 . 1 1 65 65 LYS CA C 13 56.438 0.1 . 1 . . . . . 239 LYS CA . 27654 1
338 . 1 1 65 65 LYS CB C 13 33.052 0.1 . 1 . . . . . 239 LYS CB . 27654 1
339 . 1 1 65 65 LYS N N 15 122.89 0.05 . 1 . . . . . 239 LYS N . 27654 1
340 . 1 1 66 66 LYS H H 1 7.939 0.01 . 1 . . . . . 240 LYS H . 27654 1
341 . 1 1 66 66 LYS HA H 1 4.128 0.01 . 1 . . . . . 240 LYS HA . 27654 1
342 . 1 1 66 66 LYS C C 13 181.364 0.05 . 1 . . . . . 240 LYS C . 27654 1
343 . 1 1 66 66 LYS CA C 13 57.882 0.1 . 1 . . . . . 240 LYS CA . 27654 1
344 . 1 1 66 66 LYS CB C 13 33.679 0.1 . 1 . . . . . 240 LYS CB . 27654 1
345 . 1 1 66 66 LYS N N 15 128.219 0.05 . 1 . . . . . 240 LYS N . 27654 1
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