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 52807
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Abl SH3SH2KD in complex with tozasertib'
_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' . . . 52807 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 . . 52807 1
2 $software_2 . . 52807 1
3 $software_3 . . 52807 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 9.339 . . 1 . . . . . 85 PHE H . 52807 1
2 . 1 . 1 5 5 PHE N N 15 126.441 . . 1 . . . . . 85 PHE N . 52807 1
3 . 1 . 1 6 6 VAL H H 1 9.471 . . 1 . . . . . 86 VAL H . 52807 1
4 . 1 . 1 6 6 VAL N N 15 117.435 . . 1 . . . . . 86 VAL N . 52807 1
5 . 1 . 1 7 7 ALA H H 1 8.483 . . 1 . . . . . 87 ALA H . 52807 1
6 . 1 . 1 7 7 ALA N N 15 127.381 . . 1 . . . . . 87 ALA N . 52807 1
7 . 1 . 1 8 8 LEU H H 1 9.413 . . 1 . . . . . 88 LEU H . 52807 1
8 . 1 . 1 8 8 LEU N N 15 126.958 . . 1 . . . . . 88 LEU N . 52807 1
9 . 1 . 1 9 9 TYR H H 1 7.090 . . 1 . . . . . 89 TYR H . 52807 1
10 . 1 . 1 9 9 TYR N N 15 113.229 . . 1 . . . . . 89 TYR N . 52807 1
11 . 1 . 1 10 10 ASP H H 1 8.223 . . 1 . . . . . 90 ASP H . 52807 1
12 . 1 . 1 10 10 ASP N N 15 118.053 . . 1 . . . . . 90 ASP N . 52807 1
13 . 1 . 1 11 11 PHE H H 1 8.822 . . 1 . . . . . 91 PHE H . 52807 1
14 . 1 . 1 11 11 PHE N N 15 122.817 . . 1 . . . . . 91 PHE N . 52807 1
15 . 1 . 1 12 12 VAL H H 1 7.844 . . 1 . . . . . 92 VAL H . 52807 1
16 . 1 . 1 12 12 VAL N N 15 129.775 . . 1 . . . . . 92 VAL N . 52807 1
17 . 1 . 1 13 13 ALA H H 1 8.330 . . 1 . . . . . 93 ALA H . 52807 1
18 . 1 . 1 13 13 ALA N N 15 130.460 . . 1 . . . . . 93 ALA N . 52807 1
19 . 1 . 1 18 18 THR H H 1 7.817 . . 1 . . . . . 98 THR H . 52807 1
20 . 1 . 1 18 18 THR N N 15 109.299 . . 1 . . . . . 98 THR N . 52807 1
21 . 1 . 1 20 20 SER H H 1 8.145 . . 1 . . . . . 100 SER H . 52807 1
22 . 1 . 1 20 20 SER N N 15 121.242 . . 1 . . . . . 100 SER N . 52807 1
23 . 1 . 1 21 21 ILE H H 1 9.055 . . 1 . . . . . 101 ILE H . 52807 1
24 . 1 . 1 21 21 ILE N N 15 117.483 . . 1 . . . . . 101 ILE N . 52807 1
25 . 1 . 1 22 22 THR H H 1 9.004 . . 1 . . . . . 102 THR H . 52807 1
26 . 1 . 1 22 22 THR N N 15 119.385 . . 1 . . . . . 102 THR N . 52807 1
27 . 1 . 1 24 24 GLY H H 1 8.889 . . 1 . . . . . 104 GLY H . 52807 1
28 . 1 . 1 24 24 GLY N N 15 114.832 . . 1 . . . . . 104 GLY N . 52807 1
29 . 1 . 1 26 26 LYS H H 1 8.299 . . 1 . . . . . 106 LYS H . 52807 1
30 . 1 . 1 26 26 LYS N N 15 122.315 . . 1 . . . . . 106 LYS N . 52807 1
31 . 1 . 1 27 27 LEU H H 1 9.012 . . 1 . . . . . 107 LEU H . 52807 1
32 . 1 . 1 27 27 LEU N N 15 119.835 . . 1 . . . . . 107 LEU N . 52807 1
33 . 1 . 1 29 29 VAL H H 1 8.493 . . 1 . . . . . 109 VAL H . 52807 1
34 . 1 . 1 29 29 VAL N N 15 125.019 . . 1 . . . . . 109 VAL N . 52807 1
35 . 1 . 1 30 30 LEU H H 1 9.229 . . 1 . . . . . 110 LEU H . 52807 1
36 . 1 . 1 30 30 LEU N N 15 129.045 . . 1 . . . . . 110 LEU N . 52807 1
37 . 1 . 1 31 31 GLY H H 1 6.919 . . 1 . . . . . 111 GLY H . 52807 1
38 . 1 . 1 31 31 GLY N N 15 106.077 . . 1 . . . . . 111 GLY N . 52807 1
39 . 1 . 1 32 32 TYR H H 1 8.730 . . 1 . . . . . 112 TYR H . 52807 1
40 . 1 . 1 32 32 TYR N N 15 117.489 . . 1 . . . . . 112 TYR N . 52807 1
41 . 1 . 1 33 33 ASN H H 1 8.901 . . 1 . . . . . 113 ASN H . 52807 1
42 . 1 . 1 33 33 ASN N N 15 120.878 . . 1 . . . . . 113 ASN N . 52807 1
43 . 1 . 1 35 35 ASN H H 1 6.391 . . 1 . . . . . 115 ASN H . 52807 1
44 . 1 . 1 35 35 ASN N N 15 113.546 . . 1 . . . . . 115 ASN N . 52807 1
45 . 1 . 1 36 36 GLY H H 1 7.599 . . 1 . . . . . 116 GLY H . 52807 1
46 . 1 . 1 36 36 GLY N N 15 108.125 . . 1 . . . . . 116 GLY N . 52807 1
47 . 1 . 1 37 37 GLU H H 1 8.501 . . 1 . . . . . 117 GLU H . 52807 1
48 . 1 . 1 37 37 GLU N N 15 122.676 . . 1 . . . . . 117 GLU N . 52807 1
49 . 1 . 1 38 38 TRP H H 1 8.394 . . 1 . . . . . 118 TRP H . 52807 1
50 . 1 . 1 38 38 TRP N N 15 120.064 . . 1 . . . . . 118 TRP N . 52807 1
51 . 1 . 1 39 39 CYS H H 1 9.740 . . 1 . . . . . 119 CYS H . 52807 1
52 . 1 . 1 39 39 CYS N N 15 118.191 . . 1 . . . . . 119 CYS N . 52807 1
53 . 1 . 1 40 40 GLU H H 1 7.995 . . 1 . . . . . 120 GLU H . 52807 1
54 . 1 . 1 40 40 GLU N N 15 128.476 . . 1 . . . . . 120 GLU N . 52807 1
55 . 1 . 1 41 41 ALA H H 1 9.011 . . 1 . . . . . 121 ALA H . 52807 1
56 . 1 . 1 41 41 ALA N N 15 130.976 . . 1 . . . . . 121 ALA N . 52807 1
57 . 1 . 1 42 42 GLN H H 1 8.725 . . 1 . . . . . 122 GLN H . 52807 1
58 . 1 . 1 42 42 GLN N N 15 117.481 . . 1 . . . . . 122 GLN N . 52807 1
59 . 1 . 1 43 43 THR H H 1 9.058 . . 1 . . . . . 123 THR H . 52807 1
60 . 1 . 1 43 43 THR N N 15 118.059 . . 1 . . . . . 123 THR N . 52807 1
61 . 1 . 1 45 45 ASN H H 1 8.213 . . 1 . . . . . 125 ASN H . 52807 1
62 . 1 . 1 45 45 ASN N N 15 114.379 . . 1 . . . . . 125 ASN N . 52807 1
63 . 1 . 1 46 46 GLY H H 1 7.464 . . 1 . . . . . 126 GLY H . 52807 1
64 . 1 . 1 46 46 GLY N N 15 108.761 . . 1 . . . . . 126 GLY N . 52807 1
65 . 1 . 1 47 47 GLN H H 1 8.228 . . 1 . . . . . 127 GLN H . 52807 1
66 . 1 . 1 47 47 GLN N N 15 120.162 . . 1 . . . . . 127 GLN N . 52807 1
67 . 1 . 1 48 48 GLY H H 1 8.657 . . 1 . . . . . 128 GLY H . 52807 1
68 . 1 . 1 48 48 GLY N N 15 112.909 . . 1 . . . . . 128 GLY N . 52807 1
69 . 1 . 1 49 49 TRP H H 1 8.950 . . 1 . . . . . 129 TRP H . 52807 1
70 . 1 . 1 49 49 TRP N N 15 121.573 . . 1 . . . . . 129 TRP N . 52807 1
71 . 1 . 1 50 50 VAL H H 1 9.610 . . 1 . . . . . 130 VAL H . 52807 1
72 . 1 . 1 50 50 VAL N N 15 115.655 . . 1 . . . . . 130 VAL N . 52807 1
73 . 1 . 1 52 52 SER H H 1 8.426 . . 1 . . . . . 132 SER H . 52807 1
74 . 1 . 1 52 52 SER N N 15 121.510 . . 1 . . . . . 132 SER N . 52807 1
75 . 1 . 1 53 53 ASN H H 1 8.234 . . 1 . . . . . 133 ASN H . 52807 1
76 . 1 . 1 53 53 ASN N N 15 113.782 . . 1 . . . . . 133 ASN N . 52807 1
77 . 1 . 1 54 54 TYR H H 1 7.822 . . 1 . . . . . 134 TYR H . 52807 1
78 . 1 . 1 54 54 TYR N N 15 119.403 . . 1 . . . . . 134 TYR N . 52807 1
79 . 1 . 1 55 55 ILE H H 1 7.323 . . 1 . . . . . 135 ILE H . 52807 1
80 . 1 . 1 55 55 ILE N N 15 111.947 . . 1 . . . . . 135 ILE N . 52807 1
81 . 1 . 1 56 56 THR H H 1 8.575 . . 1 . . . . . 136 THR H . 52807 1
82 . 1 . 1 56 56 THR N N 15 115.620 . . 1 . . . . . 136 THR N . 52807 1
83 . 1 . 1 66 66 TRP H H 1 6.401 . . 1 . . . . . 146 TRP H . 52807 1
84 . 1 . 1 66 66 TRP N N 15 110.773 . . 1 . . . . . 146 TRP N . 52807 1
85 . 1 . 1 68 68 HIS H H 1 8.765 . . 1 . . . . . 148 HIS H . 52807 1
86 . 1 . 1 68 68 HIS N N 15 127.522 . . 1 . . . . . 148 HIS N . 52807 1
87 . 1 . 1 69 69 GLY H H 1 5.902 . . 1 . . . . . 149 GLY H . 52807 1
88 . 1 . 1 69 69 GLY N N 15 105.861 . . 1 . . . . . 149 GLY N . 52807 1
89 . 1 . 1 71 71 VAL H H 1 8.064 . . 1 . . . . . 151 VAL H . 52807 1
90 . 1 . 1 71 71 VAL N N 15 126.921 . . 1 . . . . . 151 VAL N . 52807 1
91 . 1 . 1 72 72 SER H H 1 8.576 . . 1 . . . . . 152 SER H . 52807 1
92 . 1 . 1 72 72 SER N N 15 123.540 . . 1 . . . . . 152 SER N . 52807 1
93 . 1 . 1 76 76 ALA H H 1 8.648 . . 1 . . . . . 156 ALA H . 52807 1
94 . 1 . 1 76 76 ALA N N 15 121.657 . . 1 . . . . . 156 ALA N . 52807 1
95 . 1 . 1 80 80 LEU H H 1 7.482 . . 1 . . . . . 160 LEU H . 52807 1
96 . 1 . 1 80 80 LEU N N 15 116.607 . . 1 . . . . . 160 LEU N . 52807 1
97 . 1 . 1 86 86 GLY H H 1 9.294 . . 1 . . . . . 166 GLY H . 52807 1
98 . 1 . 1 86 86 GLY N N 15 109.547 . . 1 . . . . . 166 GLY N . 52807 1
99 . 1 . 1 88 88 PHE H H 1 8.777 . . 1 . . . . . 168 PHE H . 52807 1
100 . 1 . 1 88 88 PHE N N 15 121.132 . . 1 . . . . . 168 PHE N . 52807 1
101 . 1 . 1 90 90 VAL H H 1 9.251 . . 1 . . . . . 170 VAL H . 52807 1
102 . 1 . 1 90 90 VAL N N 15 121.405 . . 1 . . . . . 170 VAL N . 52807 1
103 . 1 . 1 91 91 ARG H H 1 9.111 . . 1 . . . . . 171 ARG H . 52807 1
104 . 1 . 1 91 91 ARG N N 15 123.276 . . 1 . . . . . 171 ARG N . 52807 1
105 . 1 . 1 92 92 GLU H H 1 8.143 . . 1 . . . . . 172 GLU H . 52807 1
106 . 1 . 1 92 92 GLU N N 15 121.543 . . 1 . . . . . 172 GLU N . 52807 1
107 . 1 . 1 93 93 SER H H 1 8.076 . . 1 . . . . . 173 SER H . 52807 1
108 . 1 . 1 93 93 SER N N 15 117.491 . . 1 . . . . . 173 SER N . 52807 1
109 . 1 . 1 99 99 GLN H H 1 8.044 . . 1 . . . . . 179 GLN H . 52807 1
110 . 1 . 1 99 99 GLN N N 15 121.798 . . 1 . . . . . 179 GLN N . 52807 1
111 . 1 . 1 100 100 ARG H H 1 9.161 . . 1 . . . . . 180 ARG H . 52807 1
112 . 1 . 1 100 100 ARG N N 15 126.932 . . 1 . . . . . 180 ARG N . 52807 1
113 . 1 . 1 101 101 SER H H 1 8.985 . . 1 . . . . . 181 SER H . 52807 1
114 . 1 . 1 101 101 SER N N 15 115.141 . . 1 . . . . . 181 SER N . 52807 1
115 . 1 . 1 102 102 ILE H H 1 9.522 . . 1 . . . . . 182 ILE H . 52807 1
116 . 1 . 1 102 102 ILE N N 15 123.026 . . 1 . . . . . 182 ILE N . 52807 1
117 . 1 . 1 103 103 SER H H 1 9.089 . . 1 . . . . . 183 SER H . 52807 1
118 . 1 . 1 103 103 SER N N 15 124.511 . . 1 . . . . . 183 SER N . 52807 1
119 . 1 . 1 104 104 LEU H H 1 9.340 . . 1 . . . . . 184 LEU H . 52807 1
120 . 1 . 1 104 104 LEU N N 15 127.479 . . 1 . . . . . 184 LEU N . 52807 1
121 . 1 . 1 107 107 GLU H H 1 9.331 . . 1 . . . . . 187 GLU H . 52807 1
122 . 1 . 1 107 107 GLU N N 15 129.112 . . 1 . . . . . 187 GLU N . 52807 1
123 . 1 . 1 108 108 GLY H H 1 8.389 . . 1 . . . . . 188 GLY H . 52807 1
124 . 1 . 1 108 108 GLY N N 15 103.219 . . 1 . . . . . 188 GLY N . 52807 1
125 . 1 . 1 109 109 ARG H H 1 7.767 . . 1 . . . . . 189 ARG H . 52807 1
126 . 1 . 1 109 109 ARG N N 15 120.945 . . 1 . . . . . 189 ARG N . 52807 1
127 . 1 . 1 110 110 VAL H H 1 8.265 . . 1 . . . . . 190 VAL H . 52807 1
128 . 1 . 1 110 110 VAL N N 15 121.308 . . 1 . . . . . 190 VAL N . 52807 1
129 . 1 . 1 111 111 TYR H H 1 9.437 . . 1 . . . . . 191 TYR H . 52807 1
130 . 1 . 1 111 111 TYR N N 15 129.587 . . 1 . . . . . 191 TYR N . 52807 1
131 . 1 . 1 113 113 TYR H H 1 9.664 . . 1 . . . . . 193 TYR H . 52807 1
132 . 1 . 1 113 113 TYR N N 15 122.095 . . 1 . . . . . 193 TYR N . 52807 1
133 . 1 . 1 114 114 ARG H H 1 8.797 . . 1 . . . . . 194 ARG H . 52807 1
134 . 1 . 1 114 114 ARG N N 15 125.605 . . 1 . . . . . 194 ARG N . 52807 1
135 . 1 . 1 115 115 ILE H H 1 8.278 . . 1 . . . . . 195 ILE H . 52807 1
136 . 1 . 1 115 115 ILE N N 15 123.197 . . 1 . . . . . 195 ILE N . 52807 1
137 . 1 . 1 116 116 ASN H H 1 8.742 . . 1 . . . . . 196 ASN H . 52807 1
138 . 1 . 1 116 116 ASN N N 15 128.988 . . 1 . . . . . 196 ASN N . 52807 1
139 . 1 . 1 117 117 THR H H 1 8.305 . . 1 . . . . . 197 THR H . 52807 1
140 . 1 . 1 117 117 THR N N 15 114.520 . . 1 . . . . . 197 THR N . 52807 1
141 . 1 . 1 118 118 ALA H H 1 9.659 . . 1 . . . . . 198 ALA H . 52807 1
142 . 1 . 1 118 118 ALA N N 15 130.079 . . 1 . . . . . 198 ALA N . 52807 1
143 . 1 . 1 120 120 ASP H H 1 7.809 . . 1 . . . . . 200 ASP H . 52807 1
144 . 1 . 1 120 120 ASP N N 15 118.548 . . 1 . . . . . 200 ASP N . 52807 1
145 . 1 . 1 121 121 GLY H H 1 8.129 . . 1 . . . . . 201 GLY H . 52807 1
146 . 1 . 1 121 121 GLY N N 15 108.590 . . 1 . . . . . 201 GLY N . 52807 1
147 . 1 . 1 122 122 LYS H H 1 7.503 . . 1 . . . . . 202 LYS H . 52807 1
148 . 1 . 1 122 122 LYS N N 15 119.681 . . 1 . . . . . 202 LYS N . 52807 1
149 . 1 . 1 123 123 LEU H H 1 9.181 . . 1 . . . . . 203 LEU H . 52807 1
150 . 1 . 1 123 123 LEU N N 15 120.249 . . 1 . . . . . 203 LEU N . 52807 1
151 . 1 . 1 124 124 TYR H H 1 8.692 . . 1 . . . . . 204 TYR H . 52807 1
152 . 1 . 1 124 124 TYR N N 15 114.979 . . 1 . . . . . 204 TYR N . 52807 1
153 . 1 . 1 126 126 SER H H 1 9.217 . . 1 . . . . . 206 SER H . 52807 1
154 . 1 . 1 126 126 SER N N 15 118.159 . . 1 . . . . . 206 SER N . 52807 1
155 . 1 . 1 128 128 GLU H H 1 8.424 . . 1 . . . . . 208 GLU H . 52807 1
156 . 1 . 1 128 128 GLU N N 15 117.168 . . 1 . . . . . 208 GLU N . 52807 1
157 . 1 . 1 130 130 ARG H H 1 7.570 . . 1 . . . . . 210 ARG H . 52807 1
158 . 1 . 1 130 130 ARG N N 15 120.526 . . 1 . . . . . 210 ARG N . 52807 1
159 . 1 . 1 131 131 PHE H H 1 9.113 . . 1 . . . . . 211 PHE H . 52807 1
160 . 1 . 1 131 131 PHE N N 15 118.457 . . 1 . . . . . 211 PHE N . 52807 1
161 . 1 . 1 133 133 THR H H 1 7.399 . . 1 . . . . . 213 THR H . 52807 1
162 . 1 . 1 133 133 THR N N 15 105.221 . . 1 . . . . . 213 THR N . 52807 1
163 . 1 . 1 135 135 ALA H H 1 8.894 . . 1 . . . . . 215 ALA H . 52807 1
164 . 1 . 1 135 135 ALA N N 15 120.303 . . 1 . . . . . 215 ALA N . 52807 1
165 . 1 . 1 137 137 LEU H H 1 7.211 . . 1 . . . . . 217 LEU H . 52807 1
166 . 1 . 1 137 137 LEU N N 15 123.902 . . 1 . . . . . 217 LEU N . 52807 1
167 . 1 . 1 138 138 VAL H H 1 8.081 . . 1 . . . . . 218 VAL H . 52807 1
168 . 1 . 1 138 138 VAL N N 15 120.094 . . 1 . . . . . 218 VAL N . 52807 1
169 . 1 . 1 140 140 HIS H H 1 7.904 . . 1 . . . . . 220 HIS H . 52807 1
170 . 1 . 1 140 140 HIS N N 15 121.043 . . 1 . . . . . 220 HIS N . 52807 1
171 . 1 . 1 141 141 HIS H H 1 7.690 . . 1 . . . . . 221 HIS H . 52807 1
172 . 1 . 1 141 141 HIS N N 15 116.006 . . 1 . . . . . 221 HIS N . 52807 1
173 . 1 . 1 142 142 SER H H 1 7.557 . . 1 . . . . . 222 SER H . 52807 1
174 . 1 . 1 142 142 SER N N 15 116.032 . . 1 . . . . . 222 SER N . 52807 1
175 . 1 . 1 144 144 VAL H H 1 7.607 . . 1 . . . . . 224 VAL H . 52807 1
176 . 1 . 1 144 144 VAL N N 15 121.384 . . 1 . . . . . 224 VAL N . 52807 1
177 . 1 . 1 145 145 ALA H H 1 8.251 . . 1 . . . . . 225 ALA H . 52807 1
178 . 1 . 1 145 145 ALA N N 15 128.289 . . 1 . . . . . 225 ALA N . 52807 1
179 . 1 . 1 146 146 ASP H H 1 8.343 . . 1 . . . . . 226 ASP H . 52807 1
180 . 1 . 1 146 146 ASP N N 15 116.909 . . 1 . . . . . 226 ASP N . 52807 1
181 . 1 . 1 147 147 GLY H H 1 8.187 . . 1 . . . . . 227 GLY H . 52807 1
182 . 1 . 1 147 147 GLY N N 15 105.871 . . 1 . . . . . 227 GLY N . 52807 1
183 . 1 . 1 148 148 LEU H H 1 7.217 . . 1 . . . . . 228 LEU H . 52807 1
184 . 1 . 1 148 148 LEU N N 15 120.166 . . 1 . . . . . 228 LEU N . 52807 1
185 . 1 . 1 149 149 ILE H H 1 7.105 . . 1 . . . . . 229 ILE H . 52807 1
186 . 1 . 1 149 149 ILE N N 15 118.861 . . 1 . . . . . 229 ILE N . 52807 1
187 . 1 . 1 150 150 THR H H 1 6.757 . . 1 . . . . . 230 THR H . 52807 1
188 . 1 . 1 150 150 THR N N 15 111.661 . . 1 . . . . . 230 THR N . 52807 1
189 . 1 . 1 151 151 THR H H 1 7.247 . . 1 . . . . . 231 THR H . 52807 1
190 . 1 . 1 151 151 THR N N 15 107.077 . . 1 . . . . . 231 THR N . 52807 1
191 . 1 . 1 152 152 LEU H H 1 7.550 . . 1 . . . . . 232 LEU H . 52807 1
192 . 1 . 1 152 152 LEU N N 15 118.386 . . 1 . . . . . 232 LEU N . 52807 1
193 . 1 . 1 153 153 HIS H H 1 8.362 . . 1 . . . . . 233 HIS H . 52807 1
194 . 1 . 1 153 153 HIS N N 15 123.885 . . 1 . . . . . 233 HIS N . 52807 1
195 . 1 . 1 156 156 ALA H H 1 8.778 . . 1 . . . . . 236 ALA H . 52807 1
196 . 1 . 1 156 156 ALA N N 15 130.459 . . 1 . . . . . 236 ALA N . 52807 1
197 . 1 . 1 175 175 GLU H H 1 7.446 . . 1 . . . . . 255 GLU H . 52807 1
198 . 1 . 1 175 175 GLU N N 15 120.939 . . 1 . . . . . 255 GLU N . 52807 1
199 . 1 . 1 191 191 GLN H H 1 7.439 . . 1 . . . . . 271 GLN H . 52807 1
200 . 1 . 1 191 191 GLN N N 15 120.578 . . 1 . . . . . 271 GLN N . 52807 1
201 . 1 . 1 198 198 GLY H H 1 9.060 . . 1 . . . . . 278 GLY H . 52807 1
202 . 1 . 1 198 198 GLY N N 15 114.921 . . 1 . . . . . 278 GLY N . 52807 1
203 . 1 . 1 200 200 TRP H H 1 9.594 . . 1 . . . . . 280 TRP H . 52807 1
204 . 1 . 1 200 200 TRP N N 15 130.083 . . 1 . . . . . 280 TRP N . 52807 1
205 . 1 . 1 205 205 LEU H H 1 7.180 . . 1 . . . . . 285 LEU H . 52807 1
206 . 1 . 1 205 205 LEU N N 15 120.124 . . 1 . . . . . 285 LEU N . 52807 1
207 . 1 . 1 206 206 THR H H 1 8.911 . . 1 . . . . . 286 THR H . 52807 1
208 . 1 . 1 206 206 THR N N 15 126.895 . . 1 . . . . . 286 THR N . 52807 1
209 . 1 . 1 207 207 VAL H H 1 8.735 . . 1 . . . . . 287 VAL H . 52807 1
210 . 1 . 1 207 207 VAL N N 15 120.452 . . 1 . . . . . 287 VAL N . 52807 1
211 . 1 . 1 208 208 ALA H H 1 8.543 . . 1 . . . . . 288 ALA H . 52807 1
212 . 1 . 1 208 208 ALA N N 15 123.511 . . 1 . . . . . 288 ALA N . 52807 1
213 . 1 . 1 224 224 LYS H H 1 8.100 . . 1 . . . . . 304 LYS H . 52807 1
214 . 1 . 1 224 224 LYS N N 15 122.765 . . 1 . . . . . 304 LYS N . 52807 1
215 . 1 . 1 236 236 ASN H H 1 11.188 . . 1 . . . . . 316 ASN H . 52807 1
216 . 1 . 1 236 236 ASN N N 15 116.572 . . 1 . . . . . 316 ASN N . 52807 1
217 . 1 . 1 239 239 GLN H H 1 9.268 . . 1 . . . . . 319 GLN H . 52807 1
218 . 1 . 1 239 239 GLN N N 15 127.921 . . 1 . . . . . 319 GLN N . 52807 1
219 . 1 . 1 254 254 THR H H 1 9.554 . . 1 . . . . . 334 THR H . 52807 1
220 . 1 . 1 254 254 THR N N 15 119.104 . . 1 . . . . . 334 THR N . 52807 1
221 . 1 . 1 256 256 PHE H H 1 8.706 . . 1 . . . . . 336 PHE H . 52807 1
222 . 1 . 1 256 256 PHE N N 15 123.291 . . 1 . . . . . 336 PHE N . 52807 1
223 . 1 . 1 260 260 GLY H H 1 7.185 . . 1 . . . . . 340 GLY H . 52807 1
224 . 1 . 1 260 260 GLY N N 15 106.074 . . 1 . . . . . 340 GLY N . 52807 1
225 . 1 . 1 263 263 LEU H H 1 7.241 . . 1 . . . . . 343 LEU H . 52807 1
226 . 1 . 1 263 263 LEU N N 15 120.998 . . 1 . . . . . 343 LEU N . 52807 1
227 . 1 . 1 264 264 ASP H H 1 8.226 . . 1 . . . . . 344 ASP H . 52807 1
228 . 1 . 1 264 264 ASP N N 15 118.445 . . 1 . . . . . 344 ASP N . 52807 1
229 . 1 . 1 269 269 CYS H H 1 7.116 . . 1 . . . . . 349 CYS H . 52807 1
230 . 1 . 1 269 269 CYS N N 15 117.289 . . 1 . . . . . 349 CYS N . 52807 1
231 . 1 . 1 271 271 ARG H H 1 8.888 . . 1 . . . . . 351 ARG H . 52807 1
232 . 1 . 1 271 271 ARG N N 15 128.141 . . 1 . . . . . 351 ARG N . 52807 1
233 . 1 . 1 272 272 GLN H H 1 7.999 . . 1 . . . . . 352 GLN H . 52807 1
234 . 1 . 1 272 272 GLN N N 15 116.485 . . 1 . . . . . 352 GLN N . 52807 1
235 . 1 . 1 273 273 GLU H H 1 7.158 . . 1 . . . . . 353 GLU H . 52807 1
236 . 1 . 1 273 273 GLU N N 15 119.017 . . 1 . . . . . 353 GLU N . 52807 1
237 . 1 . 1 274 274 VAL H H 1 8.468 . . 1 . . . . . 354 VAL H . 52807 1
238 . 1 . 1 274 274 VAL N N 15 122.738 . . 1 . . . . . 354 VAL N . 52807 1
239 . 1 . 1 275 275 ASN H H 1 6.712 . . 1 . . . . . 355 ASN H . 52807 1
240 . 1 . 1 275 275 ASN N N 15 120.703 . . 1 . . . . . 355 ASN N . 52807 1
241 . 1 . 1 292 292 TYR H H 1 7.331 . . 1 . . . . . 372 TYR H . 52807 1
242 . 1 . 1 292 292 TYR N N 15 122.542 . . 1 . . . . . 372 TYR N . 52807 1
243 . 1 . 1 303 303 LEU H H 1 9.478 . . 1 . . . . . 383 LEU H . 52807 1
244 . 1 . 1 303 303 LEU N N 15 126.259 . . 1 . . . . . 383 LEU N . 52807 1
245 . 1 . 1 310 310 VAL H H 1 8.297 . . 1 . . . . . 390 VAL H . 52807 1
246 . 1 . 1 310 310 VAL N N 15 120.847 . . 1 . . . . . 390 VAL N . 52807 1
247 . 1 . 1 311 311 GLY H H 1 9.239 . . 1 . . . . . 391 GLY H . 52807 1
248 . 1 . 1 311 311 GLY N N 15 116.755 . . 1 . . . . . 391 GLY N . 52807 1
249 . 1 . 1 312 312 GLU H H 1 8.487 . . 1 . . . . . 392 GLU H . 52807 1
250 . 1 . 1 312 312 GLU N N 15 120.153 . . 1 . . . . . 392 GLU N . 52807 1
251 . 1 . 1 315 315 LEU H H 1 6.562 . . 1 . . . . . 395 LEU H . 52807 1
252 . 1 . 1 315 315 LEU N N 15 120.101 . . 1 . . . . . 395 LEU N . 52807 1
253 . 1 . 1 320 320 ASP H H 1 7.312 . . 1 . . . . . 400 ASP H . 52807 1
254 . 1 . 1 320 320 ASP N N 15 116.592 . . 1 . . . . . 400 ASP N . 52807 1
255 . 1 . 1 321 321 PHE H H 1 7.853 . . 1 . . . . . 401 PHE H . 52807 1
256 . 1 . 1 321 321 PHE N N 15 122.922 . . 1 . . . . . 401 PHE N . 52807 1
257 . 1 . 1 322 322 GLY H H 1 8.325 . . 1 . . . . . 402 GLY H . 52807 1
258 . 1 . 1 322 322 GLY N N 15 110.927 . . 1 . . . . . 402 GLY N . 52807 1
259 . 1 . 1 337 337 GLY H H 1 8.325 . . 1 . . . . . 417 GLY H . 52807 1
260 . 1 . 1 337 337 GLY N N 15 106.962 . . 1 . . . . . 417 GLY N . 52807 1
261 . 1 . 1 345 345 THR H H 1 7.473 . . 1 . . . . . 425 THR H . 52807 1
262 . 1 . 1 345 345 THR N N 15 117.439 . . 1 . . . . . 425 THR N . 52807 1
263 . 1 . 1 346 346 ALA H H 1 8.458 . . 1 . . . . . 426 ALA H . 52807 1
264 . 1 . 1 346 346 ALA N N 15 129.775 . . 1 . . . . . 426 ALA N . 52807 1
265 . 1 . 1 348 348 GLU H H 1 9.712 . . 1 . . . . . 428 GLU H . 52807 1
266 . 1 . 1 348 348 GLU N N 15 117.702 . . 1 . . . . . 428 GLU N . 52807 1
267 . 1 . 1 349 349 SER H H 1 6.983 . . 1 . . . . . 429 SER H . 52807 1
268 . 1 . 1 349 349 SER N N 15 123.050 . . 1 . . . . . 429 SER N . 52807 1
269 . 1 . 1 351 351 ALA H H 1 8.043 . . 1 . . . . . 431 ALA H . 52807 1
270 . 1 . 1 351 351 ALA N N 15 117.906 . . 1 . . . . . 431 ALA N . 52807 1
271 . 1 . 1 352 352 TYR H H 1 6.957 . . 1 . . . . . 432 TYR H . 52807 1
272 . 1 . 1 352 352 TYR N N 15 111.890 . . 1 . . . . . 432 TYR N . 52807 1
273 . 1 . 1 354 354 LYS H H 1 6.878 . . 1 . . . . . 434 LYS H . 52807 1
274 . 1 . 1 354 354 LYS N N 15 117.417 . . 1 . . . . . 434 LYS N . 52807 1
275 . 1 . 1 363 363 ALA H H 1 8.033 . . 1 . . . . . 443 ALA H . 52807 1
276 . 1 . 1 363 363 ALA N N 15 122.314 . . 1 . . . . . 443 ALA N . 52807 1
277 . 1 . 1 364 364 PHE H H 1 9.538 . . 1 . . . . . 444 PHE H . 52807 1
278 . 1 . 1 364 364 PHE N N 15 120.646 . . 1 . . . . . 444 PHE N . 52807 1
279 . 1 . 1 374 374 TYR H H 1 7.894 . . 1 . . . . . 454 TYR H . 52807 1
280 . 1 . 1 374 374 TYR N N 15 117.019 . . 1 . . . . . 454 TYR N . 52807 1
281 . 1 . 1 375 375 GLY H H 1 9.476 . . 1 . . . . . 455 GLY H . 52807 1
282 . 1 . 1 375 375 GLY N N 15 103.981 . . 1 . . . . . 455 GLY N . 52807 1
283 . 1 . 1 379 379 TYR H H 1 7.118 . . 1 . . . . . 459 TYR H . 52807 1
284 . 1 . 1 379 379 TYR N N 15 115.454 . . 1 . . . . . 459 TYR N . 52807 1
285 . 1 . 1 382 382 ILE H H 1 7.262 . . 1 . . . . . 462 ILE H . 52807 1
286 . 1 . 1 382 382 ILE N N 15 119.909 . . 1 . . . . . 462 ILE N . 52807 1
287 . 1 . 1 383 383 ASP H H 1 8.540 . . 1 . . . . . 463 ASP H . 52807 1
288 . 1 . 1 383 383 ASP N N 15 127.927 . . 1 . . . . . 463 ASP N . 52807 1
289 . 1 . 1 384 384 LEU H H 1 8.518 . . 1 . . . . . 464 LEU H . 52807 1
290 . 1 . 1 384 384 LEU N N 15 126.517 . . 1 . . . . . 464 LEU N . 52807 1
291 . 1 . 1 385 385 SER H H 1 8.456 . . 1 . . . . . 465 SER H . 52807 1
292 . 1 . 1 385 385 SER N N 15 113.171 . . 1 . . . . . 465 SER N . 52807 1
293 . 1 . 1 386 386 GLN H H 1 7.903 . . 1 . . . . . 466 GLN H . 52807 1
294 . 1 . 1 386 386 GLN N N 15 120.280 . . 1 . . . . . 466 GLN N . 52807 1
295 . 1 . 1 387 387 VAL H H 1 6.896 . . 1 . . . . . 467 VAL H . 52807 1
296 . 1 . 1 387 387 VAL N N 15 119.585 . . 1 . . . . . 467 VAL N . 52807 1
297 . 1 . 1 388 388 TYR H H 1 8.676 . . 1 . . . . . 468 TYR H . 52807 1
298 . 1 . 1 388 388 TYR N N 15 120.226 . . 1 . . . . . 468 TYR N . 52807 1
299 . 1 . 1 389 389 GLU H H 1 8.223 . . 1 . . . . . 469 GLU H . 52807 1
300 . 1 . 1 389 389 GLU N N 15 118.053 . . 1 . . . . . 469 GLU N . 52807 1
301 . 1 . 1 391 391 LEU H H 1 8.573 . . 1 . . . . . 471 LEU H . 52807 1
302 . 1 . 1 391 391 LEU N N 15 121.178 . . 1 . . . . . 471 LEU N . 52807 1
303 . 1 . 1 393 393 LYS H H 1 7.197 . . 1 . . . . . 473 LYS H . 52807 1
304 . 1 . 1 393 393 LYS N N 15 118.647 . . 1 . . . . . 473 LYS N . 52807 1
305 . 1 . 1 394 394 ASP H H 1 7.655 . . 1 . . . . . 474 ASP H . 52807 1
306 . 1 . 1 394 394 ASP N N 15 113.095 . . 1 . . . . . 474 ASP N . 52807 1
307 . 1 . 1 395 395 TYR H H 1 8.097 . . 1 . . . . . 475 TYR H . 52807 1
308 . 1 . 1 395 395 TYR N N 15 121.551 . . 1 . . . . . 475 TYR N . 52807 1
309 . 1 . 1 396 396 ARG H H 1 6.838 . . 1 . . . . . 476 ARG H . 52807 1
310 . 1 . 1 396 396 ARG N N 15 125.931 . . 1 . . . . . 476 ARG N . 52807 1
311 . 1 . 1 397 397 MET H H 1 7.211 . . 1 . . . . . 477 MET H . 52807 1
312 . 1 . 1 397 397 MET N N 15 116.960 . . 1 . . . . . 477 MET N . 52807 1
313 . 1 . 1 398 398 GLU H H 1 8.594 . . 1 . . . . . 478 GLU H . 52807 1
314 . 1 . 1 398 398 GLU N N 15 120.808 . . 1 . . . . . 478 GLU N . 52807 1
315 . 1 . 1 399 399 ARG H H 1 8.222 . . 1 . . . . . 479 ARG H . 52807 1
316 . 1 . 1 399 399 ARG N N 15 125.019 . . 1 . . . . . 479 ARG N . 52807 1
317 . 1 . 1 408 408 TYR H H 1 7.655 . . 1 . . . . . 488 TYR H . 52807 1
318 . 1 . 1 408 408 TYR N N 15 122.320 . . 1 . . . . . 488 TYR N . 52807 1
319 . 1 . 1 409 409 GLU H H 1 8.522 . . 1 . . . . . 489 GLU H . 52807 1
320 . 1 . 1 409 409 GLU N N 15 118.525 . . 1 . . . . . 489 GLU N . 52807 1
321 . 1 . 1 410 410 LEU H H 1 6.857 . . 1 . . . . . 490 LEU H . 52807 1
322 . 1 . 1 410 410 LEU N N 15 121.805 . . 1 . . . . . 490 LEU N . 52807 1
323 . 1 . 1 413 413 ALA H H 1 7.589 . . 1 . . . . . 493 ALA H . 52807 1
324 . 1 . 1 413 413 ALA N N 15 124.798 . . 1 . . . . . 493 ALA N . 52807 1
325 . 1 . 1 416 416 GLN H H 1 6.920 . . 1 . . . . . 496 GLN H . 52807 1
326 . 1 . 1 416 416 GLN N N 15 119.765 . . 1 . . . . . 496 GLN N . 52807 1
327 . 1 . 1 417 417 TRP H H 1 9.505 . . 1 . . . . . 497 TRP H . 52807 1
328 . 1 . 1 417 417 TRP N N 15 125.940 . . 1 . . . . . 497 TRP N . 52807 1
329 . 1 . 1 418 418 ASN H H 1 8.895 . . 1 . . . . . 498 ASN H . 52807 1
330 . 1 . 1 418 418 ASN N N 15 116.954 . . 1 . . . . . 498 ASN N . 52807 1
331 . 1 . 1 420 420 SER H H 1 7.777 . . 1 . . . . . 500 SER H . 52807 1
332 . 1 . 1 420 420 SER N N 15 108.837 . . 1 . . . . . 500 SER N . 52807 1
333 . 1 . 1 421 421 ASP H H 1 7.761 . . 1 . . . . . 501 ASP H . 52807 1
334 . 1 . 1 421 421 ASP N N 15 119.693 . . 1 . . . . . 501 ASP N . 52807 1
335 . 1 . 1 422 422 ARG H H 1 7.278 . . 1 . . . . . 502 ARG H . 52807 1
336 . 1 . 1 422 422 ARG N N 15 120.988 . . 1 . . . . . 502 ARG N . 52807 1
337 . 1 . 1 424 424 SER H H 1 7.928 . . 1 . . . . . 504 SER H . 52807 1
338 . 1 . 1 424 424 SER N N 15 111.104 . . 1 . . . . . 504 SER N . 52807 1
339 . 1 . 1 427 427 GLU H H 1 7.834 . . 1 . . . . . 507 GLU H . 52807 1
340 . 1 . 1 427 427 GLU N N 15 119.767 . . 1 . . . . . 507 GLU N . 52807 1
341 . 1 . 1 430 430 GLN H H 1 7.666 . . 1 . . . . . 510 GLN H . 52807 1
342 . 1 . 1 430 430 GLN N N 15 117.102 . . 1 . . . . . 510 GLN N . 52807 1
343 . 1 . 1 431 431 ALA H H 1 8.318 . . 1 . . . . . 511 ALA H . 52807 1
344 . 1 . 1 431 431 ALA N N 15 124.438 . . 1 . . . . . 511 ALA N . 52807 1
345 . 1 . 1 450 450 GLY H H 1 7.938 . . 1 . . . . . 530 GLY H . 52807 1
346 . 1 . 1 450 450 GLY N N 15 107.468 . . 1 . . . . . 530 GLY N . 52807 1
347 . 1 . 1 454 454 VAL H H 1 7.513 . . 1 . . . . . 534 VAL H . 52807 1
348 . 1 . 1 454 454 VAL N N 15 123.249 . . 1 . . . . . 534 VAL N . 52807 1
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