Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52806
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Abl SH3SH2KD in complex with danusertib'
_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 $chem_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 TROSY' . . . 52806 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 $software_1 . . 52806 1
2 $software_2 . . 52806 1
3 $software_3 . . 52806 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 5 5 PHE H H 1 9.361 . . 1 . . . . . 85 PHE H . 52806 1
2 . 1 . 1 5 5 PHE N N 15 126.586 . . 1 . . . . . 85 PHE N . 52806 1
3 . 1 . 1 6 6 VAL H H 1 9.476 . . 1 . . . . . 86 VAL H . 52806 1
4 . 1 . 1 6 6 VAL N N 15 117.543 . . 1 . . . . . 86 VAL N . 52806 1
5 . 1 . 1 7 7 ALA H H 1 8.478 . . 1 . . . . . 87 ALA H . 52806 1
6 . 1 . 1 7 7 ALA N N 15 127.327 . . 1 . . . . . 87 ALA N . 52806 1
7 . 1 . 1 8 8 LEU H H 1 9.426 . . 1 . . . . . 88 LEU H . 52806 1
8 . 1 . 1 8 8 LEU N N 15 126.999 . . 1 . . . . . 88 LEU N . 52806 1
9 . 1 . 1 9 9 TYR H H 1 7.098 . . 1 . . . . . 89 TYR H . 52806 1
10 . 1 . 1 9 9 TYR N N 15 113.264 . . 1 . . . . . 89 TYR N . 52806 1
11 . 1 . 1 10 10 ASP H H 1 8.233 . . 1 . . . . . 90 ASP H . 52806 1
12 . 1 . 1 10 10 ASP N N 15 118.059 . . 1 . . . . . 90 ASP N . 52806 1
13 . 1 . 1 11 11 PHE H H 1 8.824 . . 1 . . . . . 91 PHE H . 52806 1
14 . 1 . 1 11 11 PHE N N 15 122.746 . . 1 . . . . . 91 PHE N . 52806 1
15 . 1 . 1 12 12 VAL H H 1 7.841 . . 1 . . . . . 92 VAL H . 52806 1
16 . 1 . 1 12 12 VAL N N 15 129.662 . . 1 . . . . . 92 VAL N . 52806 1
17 . 1 . 1 21 21 ILE H H 1 9.019 . . 1 . . . . . 101 ILE H . 52806 1
18 . 1 . 1 21 21 ILE N N 15 117.408 . . 1 . . . . . 101 ILE N . 52806 1
19 . 1 . 1 22 22 THR H H 1 8.992 . . 1 . . . . . 102 THR H . 52806 1
20 . 1 . 1 22 22 THR N N 15 119.289 . . 1 . . . . . 102 THR N . 52806 1
21 . 1 . 1 24 24 GLY H H 1 8.867 . . 1 . . . . . 104 GLY H . 52806 1
22 . 1 . 1 24 24 GLY N N 15 114.793 . . 1 . . . . . 104 GLY N . 52806 1
23 . 1 . 1 26 26 LYS H H 1 8.295 . . 1 . . . . . 106 LYS H . 52806 1
24 . 1 . 1 26 26 LYS N N 15 122.340 . . 1 . . . . . 106 LYS N . 52806 1
25 . 1 . 1 27 27 LEU H H 1 9.022 . . 1 . . . . . 107 LEU H . 52806 1
26 . 1 . 1 27 27 LEU N N 15 119.859 . . 1 . . . . . 107 LEU N . 52806 1
27 . 1 . 1 29 29 VAL H H 1 8.502 . . 1 . . . . . 109 VAL H . 52806 1
28 . 1 . 1 29 29 VAL N N 15 125.093 . . 1 . . . . . 109 VAL N . 52806 1
29 . 1 . 1 30 30 LEU H H 1 9.215 . . 1 . . . . . 110 LEU H . 52806 1
30 . 1 . 1 30 30 LEU N N 15 129.009 . . 1 . . . . . 110 LEU N . 52806 1
31 . 1 . 1 31 31 GLY H H 1 6.930 . . 1 . . . . . 111 GLY H . 52806 1
32 . 1 . 1 31 31 GLY N N 15 106.073 . . 1 . . . . . 111 GLY N . 52806 1
33 . 1 . 1 32 32 TYR H H 1 8.720 . . 1 . . . . . 112 TYR H . 52806 1
34 . 1 . 1 32 32 TYR N N 15 117.441 . . 1 . . . . . 112 TYR N . 52806 1
35 . 1 . 1 33 33 ASN H H 1 8.893 . . 1 . . . . . 113 ASN H . 52806 1
36 . 1 . 1 33 33 ASN N N 15 120.877 . . 1 . . . . . 113 ASN N . 52806 1
37 . 1 . 1 35 35 ASN H H 1 6.325 . . 1 . . . . . 115 ASN H . 52806 1
38 . 1 . 1 35 35 ASN N N 15 113.675 . . 1 . . . . . 115 ASN N . 52806 1
39 . 1 . 1 36 36 GLY H H 1 7.588 . . 1 . . . . . 116 GLY H . 52806 1
40 . 1 . 1 36 36 GLY N N 15 108.131 . . 1 . . . . . 116 GLY N . 52806 1
41 . 1 . 1 37 37 GLU H H 1 8.484 . . 1 . . . . . 117 GLU H . 52806 1
42 . 1 . 1 37 37 GLU N N 15 122.710 . . 1 . . . . . 117 GLU N . 52806 1
43 . 1 . 1 38 38 TRP H H 1 8.459 . . 1 . . . . . 118 TRP H . 52806 1
44 . 1 . 1 38 38 TRP N N 15 120.016 . . 1 . . . . . 118 TRP N . 52806 1
45 . 1 . 1 39 39 CYS H H 1 9.721 . . 1 . . . . . 119 CYS H . 52806 1
46 . 1 . 1 39 39 CYS N N 15 118.211 . . 1 . . . . . 119 CYS N . 52806 1
47 . 1 . 1 40 40 GLU H H 1 8.005 . . 1 . . . . . 120 GLU H . 52806 1
48 . 1 . 1 40 40 GLU N N 15 128.451 . . 1 . . . . . 120 GLU N . 52806 1
49 . 1 . 1 41 41 ALA H H 1 9.015 . . 1 . . . . . 121 ALA H . 52806 1
50 . 1 . 1 41 41 ALA N N 15 130.946 . . 1 . . . . . 121 ALA N . 52806 1
51 . 1 . 1 42 42 GLN H H 1 8.720 . . 1 . . . . . 122 GLN H . 52806 1
52 . 1 . 1 42 42 GLN N N 15 117.441 . . 1 . . . . . 122 GLN N . 52806 1
53 . 1 . 1 43 43 THR H H 1 9.052 . . 1 . . . . . 123 THR H . 52806 1
54 . 1 . 1 43 43 THR N N 15 118.007 . . 1 . . . . . 123 THR N . 52806 1
55 . 1 . 1 45 45 ASN H H 1 8.214 . . 1 . . . . . 125 ASN H . 52806 1
56 . 1 . 1 45 45 ASN N N 15 114.374 . . 1 . . . . . 125 ASN N . 52806 1
57 . 1 . 1 46 46 GLY H H 1 7.459 . . 1 . . . . . 126 GLY H . 52806 1
58 . 1 . 1 46 46 GLY N N 15 108.762 . . 1 . . . . . 126 GLY N . 52806 1
59 . 1 . 1 47 47 GLN H H 1 8.227 . . 1 . . . . . 127 GLN H . 52806 1
60 . 1 . 1 47 47 GLN N N 15 120.155 . . 1 . . . . . 127 GLN N . 52806 1
61 . 1 . 1 48 48 GLY H H 1 8.661 . . 1 . . . . . 128 GLY H . 52806 1
62 . 1 . 1 48 48 GLY N N 15 112.945 . . 1 . . . . . 128 GLY N . 52806 1
63 . 1 . 1 49 49 TRP H H 1 8.919 . . 1 . . . . . 129 TRP H . 52806 1
64 . 1 . 1 49 49 TRP N N 15 121.594 . . 1 . . . . . 129 TRP N . 52806 1
65 . 1 . 1 50 50 VAL H H 1 9.605 . . 1 . . . . . 130 VAL H . 52806 1
66 . 1 . 1 50 50 VAL N N 15 115.624 . . 1 . . . . . 130 VAL N . 52806 1
67 . 1 . 1 52 52 SER H H 1 8.436 . . 1 . . . . . 132 SER H . 52806 1
68 . 1 . 1 52 52 SER N N 15 121.544 . . 1 . . . . . 132 SER N . 52806 1
69 . 1 . 1 53 53 ASN H H 1 8.252 . . 1 . . . . . 133 ASN H . 52806 1
70 . 1 . 1 53 53 ASN N N 15 113.871 . . 1 . . . . . 133 ASN N . 52806 1
71 . 1 . 1 54 54 TYR H H 1 7.826 . . 1 . . . . . 134 TYR H . 52806 1
72 . 1 . 1 54 54 TYR N N 15 119.437 . . 1 . . . . . 134 TYR N . 52806 1
73 . 1 . 1 55 55 ILE H H 1 7.332 . . 1 . . . . . 135 ILE H . 52806 1
74 . 1 . 1 55 55 ILE N N 15 111.977 . . 1 . . . . . 135 ILE N . 52806 1
75 . 1 . 1 56 56 THR H H 1 8.583 . . 1 . . . . . 136 THR H . 52806 1
76 . 1 . 1 56 56 THR N N 15 115.661 . . 1 . . . . . 136 THR N . 52806 1
77 . 1 . 1 66 66 TRP H H 1 6.399 . . 1 . . . . . 146 TRP H . 52806 1
78 . 1 . 1 66 66 TRP N N 15 110.997 . . 1 . . . . . 146 TRP N . 52806 1
79 . 1 . 1 68 68 HIS H H 1 8.777 . . 1 . . . . . 148 HIS H . 52806 1
80 . 1 . 1 68 68 HIS N N 15 127.656 . . 1 . . . . . 148 HIS N . 52806 1
81 . 1 . 1 69 69 GLY H H 1 5.883 . . 1 . . . . . 149 GLY H . 52806 1
82 . 1 . 1 69 69 GLY N N 15 105.813 . . 1 . . . . . 149 GLY N . 52806 1
83 . 1 . 1 71 71 VAL H H 1 8.066 . . 1 . . . . . 151 VAL H . 52806 1
84 . 1 . 1 71 71 VAL N N 15 126.953 . . 1 . . . . . 151 VAL N . 52806 1
85 . 1 . 1 72 72 SER H H 1 8.590 . . 1 . . . . . 152 SER H . 52806 1
86 . 1 . 1 72 72 SER N N 15 123.448 . . 1 . . . . . 152 SER N . 52806 1
87 . 1 . 1 76 76 ALA H H 1 8.604 . . 1 . . . . . 156 ALA H . 52806 1
88 . 1 . 1 76 76 ALA N N 15 121.504 . . 1 . . . . . 156 ALA N . 52806 1
89 . 1 . 1 80 80 LEU H H 1 7.515 . . 1 . . . . . 160 LEU H . 52806 1
90 . 1 . 1 80 80 LEU N N 15 116.475 . . 1 . . . . . 160 LEU N . 52806 1
91 . 1 . 1 88 88 PHE H H 1 8.773 . . 1 . . . . . 168 PHE H . 52806 1
92 . 1 . 1 88 88 PHE N N 15 121.204 . . 1 . . . . . 168 PHE N . 52806 1
93 . 1 . 1 90 90 VAL H H 1 9.222 . . 1 . . . . . 170 VAL H . 52806 1
94 . 1 . 1 90 90 VAL N N 15 121.357 . . 1 . . . . . 170 VAL N . 52806 1
95 . 1 . 1 91 91 ARG H H 1 9.112 . . 1 . . . . . 171 ARG H . 52806 1
96 . 1 . 1 91 91 ARG N N 15 123.308 . . 1 . . . . . 171 ARG N . 52806 1
97 . 1 . 1 92 92 GLU H H 1 8.164 . . 1 . . . . . 172 GLU H . 52806 1
98 . 1 . 1 92 92 GLU N N 15 121.630 . . 1 . . . . . 172 GLU N . 52806 1
99 . 1 . 1 93 93 SER H H 1 8.071 . . 1 . . . . . 173 SER H . 52806 1
100 . 1 . 1 93 93 SER N N 15 117.497 . . 1 . . . . . 173 SER N . 52806 1
101 . 1 . 1 99 99 GLN H H 1 8.050 . . 1 . . . . . 179 GLN H . 52806 1
102 . 1 . 1 99 99 GLN N N 15 121.818 . . 1 . . . . . 179 GLN N . 52806 1
103 . 1 . 1 100 100 ARG H H 1 9.155 . . 1 . . . . . 180 ARG H . 52806 1
104 . 1 . 1 100 100 ARG N N 15 126.947 . . 1 . . . . . 180 ARG N . 52806 1
105 . 1 . 1 101 101 SER H H 1 8.989 . . 1 . . . . . 181 SER H . 52806 1
106 . 1 . 1 101 101 SER N N 15 115.126 . . 1 . . . . . 181 SER N . 52806 1
107 . 1 . 1 102 102 ILE H H 1 9.514 . . 1 . . . . . 182 ILE H . 52806 1
108 . 1 . 1 102 102 ILE N N 15 123.044 . . 1 . . . . . 182 ILE N . 52806 1
109 . 1 . 1 103 103 SER H H 1 9.080 . . 1 . . . . . 183 SER H . 52806 1
110 . 1 . 1 103 103 SER N N 15 124.521 . . 1 . . . . . 183 SER N . 52806 1
111 . 1 . 1 104 104 LEU H H 1 9.326 . . 1 . . . . . 184 LEU H . 52806 1
112 . 1 . 1 104 104 LEU N N 15 127.426 . . 1 . . . . . 184 LEU N . 52806 1
113 . 1 . 1 107 107 GLU H H 1 9.330 . . 1 . . . . . 187 GLU H . 52806 1
114 . 1 . 1 107 107 GLU N N 15 129.259 . . 1 . . . . . 187 GLU N . 52806 1
115 . 1 . 1 108 108 GLY H H 1 8.382 . . 1 . . . . . 188 GLY H . 52806 1
116 . 1 . 1 108 108 GLY N N 15 103.270 . . 1 . . . . . 188 GLY N . 52806 1
117 . 1 . 1 109 109 ARG H H 1 7.769 . . 1 . . . . . 189 ARG H . 52806 1
118 . 1 . 1 109 109 ARG N N 15 120.956 . . 1 . . . . . 189 ARG N . 52806 1
119 . 1 . 1 110 110 VAL H H 1 8.261 . . 1 . . . . . 190 VAL H . 52806 1
120 . 1 . 1 110 110 VAL N N 15 121.417 . . 1 . . . . . 190 VAL N . 52806 1
121 . 1 . 1 113 113 TYR H H 1 9.659 . . 1 . . . . . 193 TYR H . 52806 1
122 . 1 . 1 113 113 TYR N N 15 122.090 . . 1 . . . . . 193 TYR N . 52806 1
123 . 1 . 1 114 114 ARG H H 1 8.796 . . 1 . . . . . 194 ARG H . 52806 1
124 . 1 . 1 114 114 ARG N N 15 125.629 . . 1 . . . . . 194 ARG N . 52806 1
125 . 1 . 1 115 115 ILE H H 1 8.267 . . 1 . . . . . 195 ILE H . 52806 1
126 . 1 . 1 115 115 ILE N N 15 123.310 . . 1 . . . . . 195 ILE N . 52806 1
127 . 1 . 1 116 116 ASN H H 1 8.743 . . 1 . . . . . 196 ASN H . 52806 1
128 . 1 . 1 116 116 ASN N N 15 128.982 . . 1 . . . . . 196 ASN N . 52806 1
129 . 1 . 1 117 117 THR H H 1 8.309 . . 1 . . . . . 197 THR H . 52806 1
130 . 1 . 1 117 117 THR N N 15 114.567 . . 1 . . . . . 197 THR N . 52806 1
131 . 1 . 1 118 118 ALA H H 1 9.662 . . 1 . . . . . 198 ALA H . 52806 1
132 . 1 . 1 118 118 ALA N N 15 130.093 . . 1 . . . . . 198 ALA N . 52806 1
133 . 1 . 1 120 120 ASP H H 1 7.809 . . 1 . . . . . 200 ASP H . 52806 1
134 . 1 . 1 120 120 ASP N N 15 118.542 . . 1 . . . . . 200 ASP N . 52806 1
135 . 1 . 1 121 121 GLY H H 1 8.130 . . 1 . . . . . 201 GLY H . 52806 1
136 . 1 . 1 121 121 GLY N N 15 108.587 . . 1 . . . . . 201 GLY N . 52806 1
137 . 1 . 1 122 122 LYS H H 1 7.502 . . 1 . . . . . 202 LYS H . 52806 1
138 . 1 . 1 122 122 LYS N N 15 119.693 . . 1 . . . . . 202 LYS N . 52806 1
139 . 1 . 1 123 123 LEU H H 1 9.181 . . 1 . . . . . 203 LEU H . 52806 1
140 . 1 . 1 123 123 LEU N N 15 120.275 . . 1 . . . . . 203 LEU N . 52806 1
141 . 1 . 1 124 124 TYR H H 1 8.692 . . 1 . . . . . 204 TYR H . 52806 1
142 . 1 . 1 124 124 TYR N N 15 114.973 . . 1 . . . . . 204 TYR N . 52806 1
143 . 1 . 1 126 126 SER H H 1 9.224 . . 1 . . . . . 206 SER H . 52806 1
144 . 1 . 1 126 126 SER N N 15 118.122 . . 1 . . . . . 206 SER N . 52806 1
145 . 1 . 1 128 128 GLU H H 1 8.430 . . 1 . . . . . 208 GLU H . 52806 1
146 . 1 . 1 128 128 GLU N N 15 117.223 . . 1 . . . . . 208 GLU N . 52806 1
147 . 1 . 1 130 130 ARG H H 1 7.570 . . 1 . . . . . 210 ARG H . 52806 1
148 . 1 . 1 130 130 ARG N N 15 120.501 . . 1 . . . . . 210 ARG N . 52806 1
149 . 1 . 1 131 131 PHE H H 1 9.116 . . 1 . . . . . 211 PHE H . 52806 1
150 . 1 . 1 131 131 PHE N N 15 118.458 . . 1 . . . . . 211 PHE N . 52806 1
151 . 1 . 1 133 133 THR H H 1 7.393 . . 1 . . . . . 213 THR H . 52806 1
152 . 1 . 1 133 133 THR N N 15 105.236 . . 1 . . . . . 213 THR N . 52806 1
153 . 1 . 1 135 135 ALA H H 1 8.884 . . 1 . . . . . 215 ALA H . 52806 1
154 . 1 . 1 135 135 ALA N N 15 120.246 . . 1 . . . . . 215 ALA N . 52806 1
155 . 1 . 1 137 137 LEU H H 1 7.195 . . 1 . . . . . 217 LEU H . 52806 1
156 . 1 . 1 137 137 LEU N N 15 123.831 . . 1 . . . . . 217 LEU N . 52806 1
157 . 1 . 1 138 138 VAL H H 1 8.063 . . 1 . . . . . 218 VAL H . 52806 1
158 . 1 . 1 138 138 VAL N N 15 120.093 . . 1 . . . . . 218 VAL N . 52806 1
159 . 1 . 1 140 140 HIS H H 1 7.897 . . 1 . . . . . 220 HIS H . 52806 1
160 . 1 . 1 140 140 HIS N N 15 121.200 . . 1 . . . . . 220 HIS N . 52806 1
161 . 1 . 1 141 141 HIS H H 1 7.705 . . 1 . . . . . 221 HIS H . 52806 1
162 . 1 . 1 141 141 HIS N N 15 116.007 . . 1 . . . . . 221 HIS N . 52806 1
163 . 1 . 1 142 142 SER H H 1 7.567 . . 1 . . . . . 222 SER H . 52806 1
164 . 1 . 1 142 142 SER N N 15 116.022 . . 1 . . . . . 222 SER N . 52806 1
165 . 1 . 1 144 144 VAL H H 1 7.624 . . 1 . . . . . 224 VAL H . 52806 1
166 . 1 . 1 144 144 VAL N N 15 121.501 . . 1 . . . . . 224 VAL N . 52806 1
167 . 1 . 1 145 145 ALA H H 1 8.242 . . 1 . . . . . 225 ALA H . 52806 1
168 . 1 . 1 145 145 ALA N N 15 128.249 . . 1 . . . . . 225 ALA N . 52806 1
169 . 1 . 1 146 146 ASP H H 1 8.334 . . 1 . . . . . 226 ASP H . 52806 1
170 . 1 . 1 146 146 ASP N N 15 116.885 . . 1 . . . . . 226 ASP N . 52806 1
171 . 1 . 1 147 147 GLY H H 1 8.187 . . 1 . . . . . 227 GLY H . 52806 1
172 . 1 . 1 147 147 GLY N N 15 105.857 . . 1 . . . . . 227 GLY N . 52806 1
173 . 1 . 1 148 148 LEU H H 1 7.240 . . 1 . . . . . 228 LEU H . 52806 1
174 . 1 . 1 148 148 LEU N N 15 120.193 . . 1 . . . . . 228 LEU N . 52806 1
175 . 1 . 1 149 149 ILE H H 1 7.105 . . 1 . . . . . 229 ILE H . 52806 1
176 . 1 . 1 149 149 ILE N N 15 118.841 . . 1 . . . . . 229 ILE N . 52806 1
177 . 1 . 1 150 150 THR H H 1 6.752 . . 1 . . . . . 230 THR H . 52806 1
178 . 1 . 1 150 150 THR N N 15 111.651 . . 1 . . . . . 230 THR N . 52806 1
179 . 1 . 1 151 151 THR H H 1 7.241 . . 1 . . . . . 231 THR H . 52806 1
180 . 1 . 1 151 151 THR N N 15 107.101 . . 1 . . . . . 231 THR N . 52806 1
181 . 1 . 1 152 152 LEU H H 1 7.529 . . 1 . . . . . 232 LEU H . 52806 1
182 . 1 . 1 152 152 LEU N N 15 118.237 . . 1 . . . . . 232 LEU N . 52806 1
183 . 1 . 1 153 153 HIS H H 1 8.356 . . 1 . . . . . 233 HIS H . 52806 1
184 . 1 . 1 153 153 HIS N N 15 123.961 . . 1 . . . . . 233 HIS N . 52806 1
185 . 1 . 1 156 156 ALA H H 1 8.759 . . 1 . . . . . 236 ALA H . 52806 1
186 . 1 . 1 156 156 ALA N N 15 130.546 . . 1 . . . . . 236 ALA N . 52806 1
187 . 1 . 1 175 175 GLU H H 1 7.439 . . 1 . . . . . 255 GLU H . 52806 1
188 . 1 . 1 175 175 GLU N N 15 120.908 . . 1 . . . . . 255 GLU N . 52806 1
189 . 1 . 1 182 182 THR H H 1 8.979 . . 1 . . . . . 262 THR H . 52806 1
190 . 1 . 1 182 182 THR N N 15 124.327 . . 1 . . . . . 262 THR N . 52806 1
191 . 1 . 1 198 198 GLY H H 1 9.053 . . 1 . . . . . 278 GLY H . 52806 1
192 . 1 . 1 198 198 GLY N N 15 114.844 . . 1 . . . . . 278 GLY N . 52806 1
193 . 1 . 1 199 199 VAL H H 1 8.671 . . 1 . . . . . 279 VAL H . 52806 1
194 . 1 . 1 199 199 VAL N N 15 118.234 . . 1 . . . . . 279 VAL N . 52806 1
195 . 1 . 1 200 200 TRP H H 1 9.602 . . 1 . . . . . 280 TRP H . 52806 1
196 . 1 . 1 200 200 TRP N N 15 130.423 . . 1 . . . . . 280 TRP N . 52806 1
197 . 1 . 1 203 203 TYR H H 1 5.846 . . 1 . . . . . 283 TYR H . 52806 1
198 . 1 . 1 203 203 TYR N N 15 111.926 . . 1 . . . . . 283 TYR N . 52806 1
199 . 1 . 1 204 204 SER H H 1 7.747 . . 1 . . . . . 284 SER H . 52806 1
200 . 1 . 1 204 204 SER N N 15 115.671 . . 1 . . . . . 284 SER N . 52806 1
201 . 1 . 1 205 205 LEU H H 1 7.138 . . 1 . . . . . 285 LEU H . 52806 1
202 . 1 . 1 205 205 LEU N N 15 120.214 . . 1 . . . . . 285 LEU N . 52806 1
203 . 1 . 1 206 206 THR H H 1 8.946 . . 1 . . . . . 286 THR H . 52806 1
204 . 1 . 1 206 206 THR N N 15 127.067 . . 1 . . . . . 286 THR N . 52806 1
205 . 1 . 1 208 208 ALA H H 1 8.568 . . 1 . . . . . 288 ALA H . 52806 1
206 . 1 . 1 208 208 ALA N N 15 123.363 . . 1 . . . . . 288 ALA N . 52806 1
207 . 1 . 1 224 224 LYS H H 1 8.060 . . 1 . . . . . 304 LYS H . 52806 1
208 . 1 . 1 224 224 LYS N N 15 122.756 . . 1 . . . . . 304 LYS N . 52806 1
209 . 1 . 1 254 254 THR H H 1 9.437 . . 1 . . . . . 334 THR H . 52806 1
210 . 1 . 1 254 254 THR N N 15 118.909 . . 1 . . . . . 334 THR N . 52806 1
211 . 1 . 1 256 256 PHE H H 1 8.665 . . 1 . . . . . 336 PHE H . 52806 1
212 . 1 . 1 256 256 PHE N N 15 123.036 . . 1 . . . . . 336 PHE N . 52806 1
213 . 1 . 1 264 264 ASP H H 1 8.291 . . 1 . . . . . 344 ASP H . 52806 1
214 . 1 . 1 264 264 ASP N N 15 118.423 . . 1 . . . . . 344 ASP N . 52806 1
215 . 1 . 1 268 268 GLU H H 1 7.427 . . 1 . . . . . 348 GLU H . 52806 1
216 . 1 . 1 268 268 GLU N N 15 115.332 . . 1 . . . . . 348 GLU N . 52806 1
217 . 1 . 1 269 269 CYS H H 1 7.102 . . 1 . . . . . 349 CYS H . 52806 1
218 . 1 . 1 269 269 CYS N N 15 117.391 . . 1 . . . . . 349 CYS N . 52806 1
219 . 1 . 1 271 271 ARG H H 1 8.893 . . 1 . . . . . 351 ARG H . 52806 1
220 . 1 . 1 271 271 ARG N N 15 128.110 . . 1 . . . . . 351 ARG N . 52806 1
221 . 1 . 1 272 272 GLN H H 1 8.006 . . 1 . . . . . 352 GLN H . 52806 1
222 . 1 . 1 272 272 GLN N N 15 116.493 . . 1 . . . . . 352 GLN N . 52806 1
223 . 1 . 1 273 273 GLU H H 1 7.162 . . 1 . . . . . 353 GLU H . 52806 1
224 . 1 . 1 273 273 GLU N N 15 119.024 . . 1 . . . . . 353 GLU N . 52806 1
225 . 1 . 1 274 274 VAL H H 1 8.435 . . 1 . . . . . 354 VAL H . 52806 1
226 . 1 . 1 274 274 VAL N N 15 122.673 . . 1 . . . . . 354 VAL N . 52806 1
227 . 1 . 1 275 275 ASN H H 1 6.737 . . 1 . . . . . 355 ASN H . 52806 1
228 . 1 . 1 275 275 ASN N N 15 120.864 . . 1 . . . . . 355 ASN N . 52806 1
229 . 1 . 1 292 292 TYR H H 1 7.328 . . 1 . . . . . 372 TYR H . 52806 1
230 . 1 . 1 292 292 TYR N N 15 122.321 . . 1 . . . . . 372 TYR N . 52806 1
231 . 1 . 1 303 303 LEU H H 1 9.445 . . 1 . . . . . 383 LEU H . 52806 1
232 . 1 . 1 303 303 LEU N N 15 126.178 . . 1 . . . . . 383 LEU N . 52806 1
233 . 1 . 1 304 304 ALA H H 1 6.667 . . 1 . . . . . 384 ALA H . 52806 1
234 . 1 . 1 304 304 ALA N N 15 121.249 . . 1 . . . . . 384 ALA N . 52806 1
235 . 1 . 1 305 305 ALA H H 1 10.463 . . 1 . . . . . 385 ALA H . 52806 1
236 . 1 . 1 305 305 ALA N N 15 130.260 . . 1 . . . . . 385 ALA N . 52806 1
237 . 1 . 1 310 310 VAL H H 1 8.319 . . 1 . . . . . 390 VAL H . 52806 1
238 . 1 . 1 310 310 VAL N N 15 120.899 . . 1 . . . . . 390 VAL N . 52806 1
239 . 1 . 1 311 311 GLY H H 1 9.144 . . 1 . . . . . 391 GLY H . 52806 1
240 . 1 . 1 311 311 GLY N N 15 116.773 . . 1 . . . . . 391 GLY N . 52806 1
241 . 1 . 1 312 312 GLU H H 1 8.522 . . 1 . . . . . 392 GLU H . 52806 1
242 . 1 . 1 312 312 GLU N N 15 119.655 . . 1 . . . . . 392 GLU N . 52806 1
243 . 1 . 1 315 315 LEU H H 1 6.572 . . 1 . . . . . 395 LEU H . 52806 1
244 . 1 . 1 315 315 LEU N N 15 119.949 . . 1 . . . . . 395 LEU N . 52806 1
245 . 1 . 1 316 316 VAL H H 1 8.378 . . 1 . . . . . 396 VAL H . 52806 1
246 . 1 . 1 316 316 VAL N N 15 125.087 . . 1 . . . . . 396 VAL N . 52806 1
247 . 1 . 1 320 320 ASP H H 1 7.296 . . 1 . . . . . 400 ASP H . 52806 1
248 . 1 . 1 320 320 ASP N N 15 116.598 . . 1 . . . . . 400 ASP N . 52806 1
249 . 1 . 1 321 321 PHE H H 1 7.844 . . 1 . . . . . 401 PHE H . 52806 1
250 . 1 . 1 321 321 PHE N N 15 122.966 . . 1 . . . . . 401 PHE N . 52806 1
251 . 1 . 1 322 322 GLY H H 1 8.323 . . 1 . . . . . 402 GLY H . 52806 1
252 . 1 . 1 322 322 GLY N N 15 110.902 . . 1 . . . . . 402 GLY N . 52806 1
253 . 1 . 1 337 337 GLY H H 1 8.394 . . 1 . . . . . 417 GLY H . 52806 1
254 . 1 . 1 337 337 GLY N N 15 107.255 . . 1 . . . . . 417 GLY N . 52806 1
255 . 1 . 1 345 345 THR H H 1 7.455 . . 1 . . . . . 425 THR H . 52806 1
256 . 1 . 1 345 345 THR N N 15 117.181 . . 1 . . . . . 425 THR N . 52806 1
257 . 1 . 1 346 346 ALA H H 1 8.392 . . 1 . . . . . 426 ALA H . 52806 1
258 . 1 . 1 346 346 ALA N N 15 129.877 . . 1 . . . . . 426 ALA N . 52806 1
259 . 1 . 1 348 348 GLU H H 1 9.684 . . 1 . . . . . 428 GLU H . 52806 1
260 . 1 . 1 348 348 GLU N N 15 117.713 . . 1 . . . . . 428 GLU N . 52806 1
261 . 1 . 1 349 349 SER H H 1 6.976 . . 1 . . . . . 429 SER H . 52806 1
262 . 1 . 1 349 349 SER N N 15 123.213 . . 1 . . . . . 429 SER N . 52806 1
263 . 1 . 1 351 351 ALA H H 1 8.054 . . 1 . . . . . 431 ALA H . 52806 1
264 . 1 . 1 351 351 ALA N N 15 117.792 . . 1 . . . . . 431 ALA N . 52806 1
265 . 1 . 1 363 363 ALA H H 1 7.964 . . 1 . . . . . 443 ALA H . 52806 1
266 . 1 . 1 363 363 ALA N N 15 122.188 . . 1 . . . . . 443 ALA N . 52806 1
267 . 1 . 1 364 364 PHE H H 1 9.459 . . 1 . . . . . 444 PHE H . 52806 1
268 . 1 . 1 364 364 PHE N N 15 120.618 . . 1 . . . . . 444 PHE N . 52806 1
269 . 1 . 1 374 374 TYR H H 1 7.879 . . 1 . . . . . 454 TYR H . 52806 1
270 . 1 . 1 374 374 TYR N N 15 117.133 . . 1 . . . . . 454 TYR N . 52806 1
271 . 1 . 1 375 375 GLY H H 1 9.463 . . 1 . . . . . 455 GLY H . 52806 1
272 . 1 . 1 375 375 GLY N N 15 104.153 . . 1 . . . . . 455 GLY N . 52806 1
273 . 1 . 1 377 377 SER H H 1 8.245 . . 1 . . . . . 457 SER H . 52806 1
274 . 1 . 1 377 377 SER N N 15 117.708 . . 1 . . . . . 457 SER N . 52806 1
275 . 1 . 1 379 379 TYR H H 1 7.101 . . 1 . . . . . 459 TYR H . 52806 1
276 . 1 . 1 379 379 TYR N N 15 115.403 . . 1 . . . . . 459 TYR N . 52806 1
277 . 1 . 1 382 382 ILE H H 1 7.294 . . 1 . . . . . 462 ILE H . 52806 1
278 . 1 . 1 382 382 ILE N N 15 120.083 . . 1 . . . . . 462 ILE N . 52806 1
279 . 1 . 1 383 383 ASP H H 1 8.553 . . 1 . . . . . 463 ASP H . 52806 1
280 . 1 . 1 383 383 ASP N N 15 128.051 . . 1 . . . . . 463 ASP N . 52806 1
281 . 1 . 1 384 384 LEU H H 1 8.504 . . 1 . . . . . 464 LEU H . 52806 1
282 . 1 . 1 384 384 LEU N N 15 126.262 . . 1 . . . . . 464 LEU N . 52806 1
283 . 1 . 1 385 385 SER H H 1 8.459 . . 1 . . . . . 465 SER H . 52806 1
284 . 1 . 1 385 385 SER N N 15 113.205 . . 1 . . . . . 465 SER N . 52806 1
285 . 1 . 1 386 386 GLN H H 1 7.911 . . 1 . . . . . 466 GLN H . 52806 1
286 . 1 . 1 386 386 GLN N N 15 120.319 . . 1 . . . . . 466 GLN N . 52806 1
287 . 1 . 1 387 387 VAL H H 1 6.894 . . 1 . . . . . 467 VAL H . 52806 1
288 . 1 . 1 387 387 VAL N N 15 119.565 . . 1 . . . . . 467 VAL N . 52806 1
289 . 1 . 1 388 388 TYR H H 1 8.681 . . 1 . . . . . 468 TYR H . 52806 1
290 . 1 . 1 388 388 TYR N N 15 120.102 . . 1 . . . . . 468 TYR N . 52806 1
291 . 1 . 1 389 389 GLU H H 1 8.241 . . 1 . . . . . 469 GLU H . 52806 1
292 . 1 . 1 389 389 GLU N N 15 118.051 . . 1 . . . . . 469 GLU N . 52806 1
293 . 1 . 1 391 391 LEU H H 1 8.554 . . 1 . . . . . 471 LEU H . 52806 1
294 . 1 . 1 391 391 LEU N N 15 121.165 . . 1 . . . . . 471 LEU N . 52806 1
295 . 1 . 1 393 393 LYS H H 1 7.207 . . 1 . . . . . 473 LYS H . 52806 1
296 . 1 . 1 393 393 LYS N N 15 118.685 . . 1 . . . . . 473 LYS N . 52806 1
297 . 1 . 1 394 394 ASP H H 1 7.671 . . 1 . . . . . 474 ASP H . 52806 1
298 . 1 . 1 394 394 ASP N N 15 113.200 . . 1 . . . . . 474 ASP N . 52806 1
299 . 1 . 1 395 395 TYR H H 1 8.097 . . 1 . . . . . 475 TYR H . 52806 1
300 . 1 . 1 395 395 TYR N N 15 121.511 . . 1 . . . . . 475 TYR N . 52806 1
301 . 1 . 1 396 396 ARG H H 1 6.846 . . 1 . . . . . 476 ARG H . 52806 1
302 . 1 . 1 396 396 ARG N N 15 125.912 . . 1 . . . . . 476 ARG N . 52806 1
303 . 1 . 1 397 397 MET H H 1 7.209 . . 1 . . . . . 477 MET H . 52806 1
304 . 1 . 1 397 397 MET N N 15 117.002 . . 1 . . . . . 477 MET N . 52806 1
305 . 1 . 1 398 398 GLU H H 1 8.603 . . 1 . . . . . 478 GLU H . 52806 1
306 . 1 . 1 398 398 GLU N N 15 120.864 . . 1 . . . . . 478 GLU N . 52806 1
307 . 1 . 1 399 399 ARG H H 1 8.223 . . 1 . . . . . 479 ARG H . 52806 1
308 . 1 . 1 399 399 ARG N N 15 125.026 . . 1 . . . . . 479 ARG N . 52806 1
309 . 1 . 1 408 408 TYR H H 1 7.659 . . 1 . . . . . 488 TYR H . 52806 1
310 . 1 . 1 408 408 TYR N N 15 122.251 . . 1 . . . . . 488 TYR N . 52806 1
311 . 1 . 1 410 410 LEU H H 1 6.859 . . 1 . . . . . 490 LEU H . 52806 1
312 . 1 . 1 410 410 LEU N N 15 121.773 . . 1 . . . . . 490 LEU N . 52806 1
313 . 1 . 1 413 413 ALA H H 1 7.595 . . 1 . . . . . 493 ALA H . 52806 1
314 . 1 . 1 413 413 ALA N N 15 124.886 . . 1 . . . . . 493 ALA N . 52806 1
315 . 1 . 1 416 416 GLN H H 1 6.944 . . 1 . . . . . 496 GLN H . 52806 1
316 . 1 . 1 416 416 GLN N N 15 119.936 . . 1 . . . . . 496 GLN N . 52806 1
317 . 1 . 1 417 417 TRP H H 1 9.502 . . 1 . . . . . 497 TRP H . 52806 1
318 . 1 . 1 417 417 TRP N N 15 125.750 . . 1 . . . . . 497 TRP N . 52806 1
319 . 1 . 1 418 418 ASN H H 1 8.896 . . 1 . . . . . 498 ASN H . 52806 1
320 . 1 . 1 418 418 ASN N N 15 116.939 . . 1 . . . . . 498 ASN N . 52806 1
321 . 1 . 1 420 420 SER H H 1 7.792 . . 1 . . . . . 500 SER H . 52806 1
322 . 1 . 1 420 420 SER N N 15 109.082 . . 1 . . . . . 500 SER N . 52806 1
323 . 1 . 1 421 421 ASP H H 1 7.767 . . 1 . . . . . 501 ASP H . 52806 1
324 . 1 . 1 421 421 ASP N N 15 119.642 . . 1 . . . . . 501 ASP N . 52806 1
325 . 1 . 1 422 422 ARG H H 1 7.301 . . 1 . . . . . 502 ARG H . 52806 1
326 . 1 . 1 422 422 ARG N N 15 121.025 . . 1 . . . . . 502 ARG N . 52806 1
327 . 1 . 1 424 424 SER H H 1 7.917 . . 1 . . . . . 504 SER H . 52806 1
328 . 1 . 1 424 424 SER N N 15 110.960 . . 1 . . . . . 504 SER N . 52806 1
329 . 1 . 1 427 427 GLU H H 1 7.818 . . 1 . . . . . 507 GLU H . 52806 1
330 . 1 . 1 427 427 GLU N N 15 119.731 . . 1 . . . . . 507 GLU N . 52806 1
331 . 1 . 1 429 429 HIS H H 1 8.730 . . 1 . . . . . 509 HIS H . 52806 1
332 . 1 . 1 429 429 HIS N N 15 119.276 . . 1 . . . . . 509 HIS N . 52806 1
333 . 1 . 1 430 430 GLN H H 1 7.686 . . 1 . . . . . 510 GLN H . 52806 1
334 . 1 . 1 430 430 GLN N N 15 117.086 . . 1 . . . . . 510 GLN N . 52806 1
335 . 1 . 1 431 431 ALA H H 1 8.300 . . 1 . . . . . 511 ALA H . 52806 1
336 . 1 . 1 431 431 ALA N N 15 124.421 . . 1 . . . . . 511 ALA N . 52806 1
337 . 1 . 1 450 450 GLY H H 1 7.940 . . 1 . . . . . 530 GLY H . 52806 1
338 . 1 . 1 450 450 GLY N N 15 107.513 . . 1 . . . . . 530 GLY N . 52806 1
339 . 1 . 1 454 454 VAL H H 1 7.513 . . 1 . . . . . 534 VAL H . 52806 1
340 . 1 . 1 454 454 VAL N N 15 123.232 . . 1 . . . . . 534 VAL N . 52806 1
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