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 50002
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 HSQC' . . . 50002 1
2 '2D 1H-13C HSQC' . . . 50002 1
3 '3D CBCA(CO)NH' . . . 50002 1
4 '3D C(CO)NH' . . . 50002 1
5 '3D HNCO' . . . 50002 1
6 '3D HNCA' . . . 50002 1
7 '3D HNCACB' . . . 50002 1
8 '3D HBHA(CO)NH' . . . 50002 1
10 '3D 1H-15N NOESY' . . . 50002 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 . . 50002 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 2 2 ASP HA H 1 4.244 0.00 . 1 . . . . . 283 ASP HA . 50002 1
2 . 1 . 1 2 2 ASP HB2 H 1 2.411 0.00 . 1 . . . . . 283 ASP HB1 . 50002 1
3 . 1 . 1 2 2 ASP HB3 H 1 2.271 0.00 . 1 . . . . . 283 ASP HB2 . 50002 1
4 . 1 . 1 2 2 ASP C C 13 173.348 0.01 . 1 . . . . . 283 ASP C . 50002 1
5 . 1 . 1 2 2 ASP CA C 13 55.134 0.11 . 1 . . . . . 283 ASP CA . 50002 1
6 . 1 . 1 2 2 ASP CB C 13 40.724 0.02 . 1 . . . . . 283 ASP CB . 50002 1
7 . 1 . 1 3 3 GLU H H 1 8.755 0.01 . 1 . . . . . 284 GLU H . 50002 1
8 . 1 . 1 3 3 GLU HA H 1 4.723 0.03 . 1 . . . . . 284 GLU HA . 50002 1
9 . 1 . 1 3 3 GLU C C 13 173.522 0.02 . 1 . . . . . 284 GLU C . 50002 1
10 . 1 . 1 3 3 GLU CA C 13 57.114 0.04 . 1 . . . . . 284 GLU CA . 50002 1
11 . 1 . 1 3 3 GLU CB C 13 29.885 0.01 . 1 . . . . . 284 GLU CB . 50002 1
12 . 1 . 1 3 3 GLU N N 15 121.027 0.03 . 1 . . . . . 284 GLU N . 50002 1
13 . 1 . 1 4 4 ASP H H 1 8.356 0.00 . 1 . . . . . 285 ASP H . 50002 1
14 . 1 . 1 4 4 ASP HA H 1 4.248 0.01 . 1 . . . . . 285 ASP HA . 50002 1
15 . 1 . 1 4 4 ASP HB2 H 1 2.309 0.00 . 1 . . . . . 285 ASP HB . 50002 1
16 . 1 . 1 4 4 ASP HB3 H 1 2.309 0.00 . 1 . . . . . 285 ASP HB . 50002 1
17 . 1 . 1 4 4 ASP C C 13 173.170 0.01 . 1 . . . . . 285 ASP C . 50002 1
18 . 1 . 1 4 4 ASP CA C 13 54.465 0.05 . 1 . . . . . 285 ASP CA . 50002 1
19 . 1 . 1 4 4 ASP CB C 13 41.104 0.02 . 1 . . . . . 285 ASP CB . 50002 1
20 . 1 . 1 4 4 ASP N N 15 120.747 0.03 . 1 . . . . . 285 ASP N . 50002 1
21 . 1 . 1 5 5 ASN H H 1 8.310 0.00 . 1 . . . . . 286 ASN H . 50002 1
22 . 1 . 1 5 5 ASN HA H 1 4.307 0.00 . 1 . . . . . 286 ASN HA . 50002 1
23 . 1 . 1 5 5 ASN HB2 H 1 2.423 0.00 . 1 . . . . . 286 ASN HB . 50002 1
24 . 1 . 1 5 5 ASN HB3 H 1 2.423 0.00 . 1 . . . . . 286 ASN HB . 50002 1
25 . 1 . 1 5 5 ASN C C 13 171.946 0.01 . 1 . . . . . 286 ASN C . 50002 1
26 . 1 . 1 5 5 ASN CA C 13 53.281 0.09 . 1 . . . . . 286 ASN CA . 50002 1
27 . 1 . 1 5 5 ASN CB C 13 38.748 0.01 . 1 . . . . . 286 ASN CB . 50002 1
28 . 1 . 1 5 5 ASN N N 15 118.869 0.02 . 1 . . . . . 286 ASN N . 50002 1
29 . 1 . 1 6 6 LEU H H 1 8.153 0.01 . 1 . . . . . 287 LEU H . 50002 1
30 . 1 . 1 6 6 LEU HA H 1 4.023 0.00 . 1 . . . . . 287 LEU HA . 50002 1
31 . 1 . 1 6 6 LEU HB2 H 1 1.230 0.00 . 1 . . . . . 287 LEU HB . 50002 1
32 . 1 . 1 6 6 LEU HB3 H 1 1.230 0.00 . 1 . . . . . 287 LEU HB . 50002 1
33 . 1 . 1 6 6 LEU C C 13 173.481 0.01 . 1 . . . . . 287 LEU C . 50002 1
34 . 1 . 1 6 6 LEU CA C 13 55.015 0.09 . 1 . . . . . 287 LEU CA . 50002 1
35 . 1 . 1 6 6 LEU CB C 13 42.436 0.08 . 1 . . . . . 287 LEU CB . 50002 1
36 . 1 . 1 6 6 LEU N N 15 122.590 0.02 . 1 . . . . . 287 LEU N . 50002 1
37 . 1 . 1 7 7 ASP H H 1 8.425 0.01 . 1 . . . . . 288 ASP H . 50002 1
38 . 1 . 1 7 7 ASP HA H 1 4.206 0.01 . 1 . . . . . 288 ASP HA . 50002 1
39 . 1 . 1 7 7 ASP HB2 H 1 2.214 0.00 . 1 . . . . . 288 ASP HB . 50002 1
40 . 1 . 1 7 7 ASP HB3 H 1 2.214 0.00 . 1 . . . . . 288 ASP HB . 50002 1
41 . 1 . 1 7 7 ASP C C 13 171.887 0.01 . 1 . . . . . 288 ASP C . 50002 1
42 . 1 . 1 7 7 ASP CA C 13 53.822 0.06 . 1 . . . . . 288 ASP CA . 50002 1
43 . 1 . 1 7 7 ASP CB C 13 41.148 0.04 . 1 . . . . . 288 ASP CB . 50002 1
44 . 1 . 1 7 7 ASP N N 15 123.013 0.04 . 1 . . . . . 288 ASP N . 50002 1
45 . 1 . 1 8 8 PHE H H 1 7.059 0.00 . 1 . . . . . 289 PHE H . 50002 1
46 . 1 . 1 8 8 PHE HA H 1 3.842 0.00 . 1 . . . . . 289 PHE HA . 50002 1
47 . 1 . 1 8 8 PHE HB2 H 1 1.899 0.00 . 1 . . . . . 289 PHE HB2 . 50002 1
48 . 1 . 1 8 8 PHE C C 13 170.831 0.01 . 1 . . . . . 289 PHE C . 50002 1
49 . 1 . 1 8 8 PHE CA C 13 55.623 0.06 . 1 . . . . . 289 PHE CA . 50002 1
50 . 1 . 1 8 8 PHE CB C 13 39.157 0.04 . 1 . . . . . 289 PHE CB . 50002 1
51 . 1 . 1 8 8 PHE N N 15 116.767 0.04 . 1 . . . . . 289 PHE N . 50002 1
52 . 1 . 1 9 9 THR H H 1 8.044 0.01 . 1 . . . . . 290 THR H . 50002 1
53 . 1 . 1 9 9 THR C C 13 170.465 0.01 . 1 . . . . . 290 THR C . 50002 1
54 . 1 . 1 9 9 THR CA C 13 62.659 0.03 . 1 . . . . . 290 THR CA . 50002 1
55 . 1 . 1 9 9 THR CB C 13 69.388 0.04 . 1 . . . . . 290 THR CB . 50002 1
56 . 1 . 1 9 9 THR N N 15 119.655 0.03 . 1 . . . . . 290 THR N . 50002 1
57 . 1 . 1 10 10 LYS H H 1 8.404 0.00 . 1 . . . . . 291 LYS H . 50002 1
58 . 1 . 1 10 10 LYS C C 13 174.256 0.01 . 1 . . . . . 291 LYS C . 50002 1
59 . 1 . 1 10 10 LYS CA C 13 57.236 0.05 . 1 . . . . . 291 LYS CA . 50002 1
60 . 1 . 1 10 10 LYS CB C 13 33.811 0.04 . 1 . . . . . 291 LYS CB . 50002 1
61 . 1 . 1 10 10 LYS N N 15 127.096 0.05 . 1 . . . . . 291 LYS N . 50002 1
62 . 1 . 1 11 11 ASN H H 1 9.485 0.01 . 1 . . . . . 292 ASN H . 50002 1
63 . 1 . 1 11 11 ASN C C 13 171.602 0.02 . 1 . . . . . 292 ASN C . 50002 1
64 . 1 . 1 11 11 ASN CA C 13 54.922 0.10 . 1 . . . . . 292 ASN CA . 50002 1
65 . 1 . 1 11 11 ASN CB C 13 35.873 0.06 . 1 . . . . . 292 ASN CB . 50002 1
66 . 1 . 1 11 11 ASN N N 15 113.535 0.02 . 1 . . . . . 292 ASN N . 50002 1
67 . 1 . 1 12 12 LEU H H 1 8.238 0.00 . 1 . . . . . 293 LEU H . 50002 1
68 . 1 . 1 12 12 LEU C C 13 174.942 0.02 . 1 . . . . . 293 LEU C . 50002 1
69 . 1 . 1 12 12 LEU CA C 13 55.266 0.06 . 1 . . . . . 293 LEU CA . 50002 1
70 . 1 . 1 12 12 LEU CB C 13 43.514 0.03 . 1 . . . . . 293 LEU CB . 50002 1
71 . 1 . 1 12 12 LEU CG C 13 26.119 0.00 . 1 . . . . . 293 LEU CG . 50002 1
72 . 1 . 1 12 12 LEU CD1 C 13 21.966 0.00 . 1 . . . . . 293 LEU CD . 50002 1
73 . 1 . 1 12 12 LEU CD2 C 13 21.966 0.00 . 1 . . . . . 293 LEU CD . 50002 1
74 . 1 . 1 12 12 LEU N N 15 112.581 0.03 . 1 . . . . . 293 LEU N . 50002 1
75 . 1 . 1 13 13 LEU H H 1 9.677 0.01 . 1 . . . . . 294 LEU H . 50002 1
76 . 1 . 1 13 13 LEU HA H 1 5.213 0.00 . 1 . . . . . 294 LEU HA . 50002 1
77 . 1 . 1 13 13 LEU HB2 H 1 1.911 0.00 . 1 . . . . . 294 LEU HB1 . 50002 1
78 . 1 . 1 13 13 LEU HB3 H 1 0.390 0.00 . 1 . . . . . 294 LEU HB2 . 50002 1
79 . 1 . 1 13 13 LEU C C 13 174.926 0.02 . 1 . . . . . 294 LEU C . 50002 1
80 . 1 . 1 13 13 LEU CA C 13 53.352 0.08 . 1 . . . . . 294 LEU CA . 50002 1
81 . 1 . 1 13 13 LEU CB C 13 44.813 0.06 . 1 . . . . . 294 LEU CB . 50002 1
82 . 1 . 1 13 13 LEU CD1 C 13 22.256 0.00 . 1 . . . . . 294 LEU CD . 50002 1
83 . 1 . 1 13 13 LEU CD2 C 13 22.256 0.00 . 1 . . . . . 294 LEU CD . 50002 1
84 . 1 . 1 13 13 LEU N N 15 119.296 0.05 . 1 . . . . . 294 LEU N . 50002 1
85 . 1 . 1 14 14 THR H H 1 9.080 0.00 . 1 . . . . . 295 THR H . 50002 1
86 . 1 . 1 14 14 THR C C 13 172.341 0.00 . 1 . . . . . 295 THR C . 50002 1
87 . 1 . 1 14 14 THR CA C 13 57.039 0.05 . 1 . . . . . 295 THR CA . 50002 1
88 . 1 . 1 14 14 THR CB C 13 71.968 0.08 . 1 . . . . . 295 THR CB . 50002 1
89 . 1 . 1 14 14 THR CG2 C 13 21.295 0.00 . 1 . . . . . 295 THR CG . 50002 1
90 . 1 . 1 14 14 THR N N 15 107.779 0.04 . 1 . . . . . 295 THR N . 50002 1
91 . 1 . 1 15 15 ARG H H 1 9.662 0.01 . 1 . . . . . 296 ARG H . 50002 1
92 . 1 . 1 15 15 ARG C C 13 172.225 0.01 . 1 . . . . . 296 ARG C . 50002 1
93 . 1 . 1 15 15 ARG CA C 13 54.574 0.07 . 1 . . . . . 296 ARG CA . 50002 1
94 . 1 . 1 15 15 ARG CB C 13 32.362 0.11 . 1 . . . . . 296 ARG CB . 50002 1
95 . 1 . 1 15 15 ARG N N 15 129.084 0.06 . 1 . . . . . 296 ARG N . 50002 1
96 . 1 . 1 16 16 ILE H H 1 9.298 0.00 . 1 . . . . . 297 ILE H . 50002 1
97 . 1 . 1 16 16 ILE C C 13 172.102 0.01 . 1 . . . . . 297 ILE C . 50002 1
98 . 1 . 1 16 16 ILE CA C 13 58.705 0.05 . 1 . . . . . 297 ILE CA . 50002 1
99 . 1 . 1 16 16 ILE CB C 13 38.660 0.12 . 1 . . . . . 297 ILE CB . 50002 1
100 . 1 . 1 16 16 ILE N N 15 126.849 0.04 . 1 . . . . . 297 ILE N . 50002 1
101 . 1 . 1 17 17 LYS H H 1 9.052 0.00 . 1 . . . . . 298 LYS H . 50002 1
102 . 1 . 1 17 17 LYS C C 13 172.463 0.01 . 1 . . . . . 298 LYS C . 50002 1
103 . 1 . 1 17 17 LYS CA C 13 55.064 0.11 . 1 . . . . . 298 LYS CA . 50002 1
104 . 1 . 1 17 17 LYS CB C 13 35.811 0.14 . 1 . . . . . 298 LYS CB . 50002 1
105 . 1 . 1 17 17 LYS N N 15 122.884 0.05 . 1 . . . . . 298 LYS N . 50002 1
106 . 1 . 1 18 18 ASN H H 1 8.366 0.01 . 1 . . . . . 299 ASN H . 50002 1
107 . 1 . 1 18 18 ASN CA C 13 54.782 0.04 . 1 . . . . . 299 ASN CA . 50002 1
108 . 1 . 1 18 18 ASN N N 15 111.564 0.10 . 1 . . . . . 299 ASN N . 50002 1
109 . 1 . 1 19 19 LEU H H 1 6.777 0.00 . 1 . . . . . 300 LEU H . 50002 1
110 . 1 . 1 19 19 LEU N N 15 120.141 0.00 . 1 . . . . . 300 LEU N . 50002 1
111 . 1 . 1 23 23 THR C C 13 172.739 0.00 . 1 . . . . . 304 THR C . 50002 1
112 . 1 . 1 23 23 THR CA C 13 69.823 0.00 . 1 . . . . . 304 THR CA . 50002 1
113 . 1 . 1 23 23 THR CG2 C 13 18.517 0.00 . 1 . . . . . 304 THR CG . 50002 1
114 . 1 . 1 24 24 ASN H H 1 8.072 0.01 . 1 . . . . . 305 ASN H . 50002 1
115 . 1 . 1 24 24 ASN C C 13 172.355 0.02 . 1 . . . . . 305 ASN C . 50002 1
116 . 1 . 1 24 24 ASN CA C 13 51.338 0.05 . 1 . . . . . 305 ASN CA . 50002 1
117 . 1 . 1 24 24 ASN CB C 13 40.739 0.12 . 1 . . . . . 305 ASN CB . 50002 1
118 . 1 . 1 24 24 ASN N N 15 111.677 0.09 . 1 . . . . . 305 ASN N . 50002 1
119 . 1 . 1 25 25 LYS H H 1 8.966 0.00 . 1 . . . . . 306 LYS H . 50002 1
120 . 1 . 1 25 25 LYS C C 13 174.980 0.02 . 1 . . . . . 306 LYS C . 50002 1
121 . 1 . 1 25 25 LYS CA C 13 61.342 0.09 . 1 . . . . . 306 LYS CA . 50002 1
122 . 1 . 1 25 25 LYS CB C 13 32.567 0.10 . 1 . . . . . 306 LYS CB . 50002 1
123 . 1 . 1 25 25 LYS N N 15 118.212 0.03 . 1 . . . . . 306 LYS N . 50002 1
124 . 1 . 1 26 26 SER H H 1 8.456 0.00 . 1 . . . . . 307 SER H . 50002 1
125 . 1 . 1 26 26 SER C C 13 174.626 0.06 . 1 . . . . . 307 SER C . 50002 1
126 . 1 . 1 26 26 SER CA C 13 61.786 0.04 . 1 . . . . . 307 SER CA . 50002 1
127 . 1 . 1 26 26 SER CB C 13 62.333 0.09 . 1 . . . . . 307 SER CB . 50002 1
128 . 1 . 1 26 26 SER N N 15 115.090 0.05 . 1 . . . . . 307 SER N . 50002 1
129 . 1 . 1 27 27 THR H H 1 8.300 0.01 . 1 . . . . . 308 THR H . 50002 1
130 . 1 . 1 27 27 THR C C 13 171.972 0.02 . 1 . . . . . 308 THR C . 50002 1
131 . 1 . 1 27 27 THR CA C 13 66.831 0.09 . 1 . . . . . 308 THR CA . 50002 1
132 . 1 . 1 27 27 THR CB C 13 67.952 0.00 . 1 . . . . . 308 THR CB . 50002 1
133 . 1 . 1 27 27 THR N N 15 120.472 0.06 . 1 . . . . . 308 THR N . 50002 1
134 . 1 . 1 28 28 ILE H H 1 7.888 0.01 . 1 . . . . . 309 ILE H . 50002 1
135 . 1 . 1 28 28 ILE C C 13 170.531 0.12 . 1 . . . . . 309 ILE C . 50002 1
136 . 1 . 1 28 28 ILE N N 15 122.928 0.13 . 1 . . . . . 309 ILE N . 50002 1
137 . 1 . 1 29 29 HIS H H 1 8.073 0.00 . 4 . . . . . 310 HIS H . 50002 1
138 . 1 . 1 29 29 HIS CA C 13 57.916 0.00 . 4 . . . . . 310 HIS CA . 50002 1
139 . 1 . 1 29 29 HIS N N 15 131.627 0.02 . 4 . . . . . 310 HIS N . 50002 1
140 . 1 . 1 30 30 SER H H 1 8.344 0.00 . 4 . . . . . 311 SER H . 50002 1
141 . 1 . 1 30 30 SER CA C 13 58.253 0.00 . 4 . . . . . 311 SER CA . 50002 1
142 . 1 . 1 30 30 SER N N 15 114.513 0.00 . 4 . . . . . 311 SER N . 50002 1
143 . 1 . 1 31 31 LEU H H 1 8.899 0.00 . 4 . . . . . 312 LEU H . 50002 1
144 . 1 . 1 31 31 LEU CA C 13 58.151 0.00 . 4 . . . . . 312 LEU CA . 50002 1
145 . 1 . 1 31 31 LEU N N 15 126.941 0.01 . 4 . . . . . 312 LEU N . 50002 1
146 . 1 . 1 32 32 LEU C C 13 175.725 0.00 . 4 . . . . . 313 LEU C . 50002 1
147 . 1 . 1 32 32 LEU CA C 13 62.515 0.00 . 4 . . . . . 313 LEU CA . 50002 1
148 . 1 . 1 33 33 SER H H 1 8.407 0.00 . 4 . . . . . 314 SER H . 50002 1
149 . 1 . 1 33 33 SER CA C 13 58.187 0.00 . 4 . . . . . 314 SER CA . 50002 1
150 . 1 . 1 33 33 SER N N 15 114.473 0.01 . 4 . . . . . 314 SER N . 50002 1
151 . 1 . 1 34 34 TYR H H 1 8.416 0.00 . 4 . . . . . 315 TYR H . 50002 1
152 . 1 . 1 34 34 TYR CA C 13 62.431 0.20 . 4 . . . . . 315 TYR CA . 50002 1
153 . 1 . 1 34 34 TYR N N 15 124.272 0.01 . 4 . . . . . 315 TYR N . 50002 1
154 . 1 . 1 35 35 VAL H H 1 7.899 0.00 . 1 . . . . . 316 VAL H . 50002 1
155 . 1 . 1 35 35 VAL CA C 13 66.632 0.11 . 1 . . . . . 316 VAL CA . 50002 1
156 . 1 . 1 35 35 VAL CB C 13 38.503 0.00 . 1 . . . . . 316 VAL CB . 50002 1
157 . 1 . 1 35 35 VAL N N 15 114.751 0.00 . 1 . . . . . 316 VAL N . 50002 1
158 . 1 . 1 36 36 PHE H H 1 9.123 0.01 . 1 . . . . . 317 PHE H . 50002 1
159 . 1 . 1 36 36 PHE CA C 13 62.615 0.06 . 1 . . . . . 317 PHE CA . 50002 1
160 . 1 . 1 36 36 PHE CB C 13 38.350 0.00 . 1 . . . . . 317 PHE CB . 50002 1
161 . 1 . 1 36 36 PHE N N 15 121.891 0.03 . 1 . . . . . 317 PHE N . 50002 1
162 . 1 . 1 37 37 SER H H 1 7.962 0.00 . 1 . . . . . 318 SER H . 50002 1
163 . 1 . 1 37 37 SER C C 13 172.416 0.01 . 1 . . . . . 318 SER C . 50002 1
164 . 1 . 1 37 37 SER CA C 13 61.180 0.04 . 1 . . . . . 318 SER CA . 50002 1
165 . 1 . 1 37 37 SER CB C 13 62.906 0.06 . 1 . . . . . 318 SER CB . 50002 1
166 . 1 . 1 37 37 SER N N 15 114.658 0.13 . 1 . . . . . 318 SER N . 50002 1
167 . 1 . 1 38 38 ARG H H 1 7.155 0.00 . 1 . . . . . 319 ARG H . 50002 1
168 . 1 . 1 38 38 ARG C C 13 173.717 0.03 . 1 . . . . . 319 ARG C . 50002 1
169 . 1 . 1 38 38 ARG CA C 13 54.799 0.12 . 1 . . . . . 319 ARG CA . 50002 1
170 . 1 . 1 38 38 ARG CB C 13 28.888 0.00 . 1 . . . . . 319 ARG CB . 50002 1
171 . 1 . 1 38 38 ARG N N 15 119.129 0.03 . 1 . . . . . 319 ARG N . 50002 1
172 . 1 . 1 39 39 GLN H H 1 7.544 0.00 . 1 . . . . . 320 GLN H . 50002 1
173 . 1 . 1 39 39 GLN CA C 13 55.251 0.42 . 1 . . . . . 320 GLN CA . 50002 1
174 . 1 . 1 39 39 GLN CB C 13 29.502 0.00 . 1 . . . . . 320 GLN CB . 50002 1
175 . 1 . 1 39 39 GLN N N 15 119.877 0.10 . 1 . . . . . 320 GLN N . 50002 1
176 . 1 . 1 40 40 THR H H 1 8.153 0.00 . 1 . . . . . 321 THR H . 50002 1
177 . 1 . 1 40 40 THR C C 13 170.237 0.00 . 1 . . . . . 321 THR C . 50002 1
178 . 1 . 1 40 40 THR CA C 13 61.534 0.04 . 1 . . . . . 321 THR CA . 50002 1
179 . 1 . 1 40 40 THR N N 15 112.117 0.15 . 1 . . . . . 321 THR N . 50002 1
180 . 1 . 1 41 41 GLN H H 1 8.432 0.01 . 1 . . . . . 322 GLN H . 50002 1
181 . 1 . 1 41 41 GLN C C 13 173.546 0.06 . 1 . . . . . 322 GLN C . 50002 1
182 . 1 . 1 41 41 GLN CA C 13 55.674 0.04 . 1 . . . . . 322 GLN CA . 50002 1
183 . 1 . 1 41 41 GLN CB C 13 29.157 0.03 . 1 . . . . . 322 GLN CB . 50002 1
184 . 1 . 1 41 41 GLN N N 15 121.182 0.03 . 1 . . . . . 322 GLN N . 50002 1
185 . 1 . 1 42 42 ASN H H 1 8.503 0.00 . 1 . . . . . 323 ASN H . 50002 1
186 . 1 . 1 42 42 ASN C C 13 171.420 0.01 . 1 . . . . . 323 ASN C . 50002 1
187 . 1 . 1 42 42 ASN CA C 13 53.997 0.09 . 1 . . . . . 323 ASN CA . 50002 1
188 . 1 . 1 42 42 ASN CB C 13 38.731 0.14 . 1 . . . . . 323 ASN CB . 50002 1
189 . 1 . 1 42 42 ASN N N 15 118.465 0.03 . 1 . . . . . 323 ASN N . 50002 1
190 . 1 . 1 43 43 ILE H H 1 7.458 0.00 . 1 . . . . . 324 ILE H . 50002 1
191 . 1 . 1 43 43 ILE C C 13 171.351 0.03 . 1 . . . . . 324 ILE C . 50002 1
192 . 1 . 1 43 43 ILE CA C 13 60.087 0.07 . 1 . . . . . 324 ILE CA . 50002 1
193 . 1 . 1 43 43 ILE CB C 13 40.020 0.06 . 1 . . . . . 324 ILE CB . 50002 1
194 . 1 . 1 43 43 ILE N N 15 119.276 0.05 . 1 . . . . . 324 ILE N . 50002 1
195 . 1 . 1 44 44 ALA H H 1 8.588 0.00 . 1 . . . . . 325 ALA H . 50002 1
196 . 1 . 1 44 44 ALA C C 13 173.815 0.02 . 1 . . . . . 325 ALA C . 50002 1
197 . 1 . 1 44 44 ALA CA C 13 51.579 0.03 . 1 . . . . . 325 ALA CA . 50002 1
198 . 1 . 1 44 44 ALA CB C 13 19.368 0.10 . 1 . . . . . 325 ALA CB . 50002 1
199 . 1 . 1 44 44 ALA N N 15 128.482 0.03 . 1 . . . . . 325 ALA N . 50002 1
200 . 1 . 1 45 45 CYS H H 1 8.924 0.00 . 1 . . . . . 326 CYS H . 50002 1
201 . 1 . 1 45 45 CYS C C 13 171.194 0.00 . 1 . . . . . 326 CYS C . 50002 1
202 . 1 . 1 45 45 CYS CA C 13 59.689 0.01 . 1 . . . . . 326 CYS CA . 50002 1
203 . 1 . 1 45 45 CYS CB C 13 26.655 0.00 . 1 . . . . . 326 CYS CB . 50002 1
204 . 1 . 1 45 45 CYS N N 15 120.892 0.03 . 1 . . . . . 326 CYS N . 50002 1
205 . 1 . 1 47 47 PRO C C 13 173.847 0.00 . 1 . . . . . 328 PRO C . 50002 1
206 . 1 . 1 47 47 PRO CA C 13 62.684 0.08 . 1 . . . . . 328 PRO CA . 50002 1
207 . 1 . 1 47 47 PRO CB C 13 30.208 0.00 . 1 . . . . . 328 PRO CB . 50002 1
208 . 1 . 1 48 48 MET H H 1 9.080 0.01 . 1 . . . . . 329 MET H . 50002 1
209 . 1 . 1 48 48 MET C C 13 174.240 0.00 . 1 . . . . . 329 MET C . 50002 1
210 . 1 . 1 48 48 MET CA C 13 55.481 0.04 . 1 . . . . . 329 MET CA . 50002 1
211 . 1 . 1 48 48 MET CB C 13 32.571 0.11 . 1 . . . . . 329 MET CB . 50002 1
212 . 1 . 1 48 48 MET CG C 13 31.442 0.00 . 1 . . . . . 329 MET CG . 50002 1
213 . 1 . 1 48 48 MET N N 15 121.643 0.05 . 1 . . . . . 329 MET N . 50002 1
214 . 1 . 1 49 49 TYR H H 1 7.396 0.00 . 1 . . . . . 330 TYR H . 50002 1
215 . 1 . 1 49 49 TYR C C 13 170.043 0.03 . 1 . . . . . 330 TYR C . 50002 1
216 . 1 . 1 49 49 TYR CA C 13 59.111 0.12 . 1 . . . . . 330 TYR CA . 50002 1
217 . 1 . 1 49 49 TYR CB C 13 41.814 0.08 . 1 . . . . . 330 TYR CB . 50002 1
218 . 1 . 1 49 49 TYR N N 15 116.683 0.04 . 1 . . . . . 330 TYR N . 50002 1
219 . 1 . 1 50 50 ILE H H 1 7.731 0.00 . 1 . . . . . 331 ILE H . 50002 1
220 . 1 . 1 50 50 ILE CA C 13 61.060 0.06 . 1 . . . . . 331 ILE CA . 50002 1
221 . 1 . 1 50 50 ILE CB C 13 39.284 0.07 . 1 . . . . . 331 ILE CB . 50002 1
222 . 1 . 1 50 50 ILE N N 15 126.433 0.05 . 1 . . . . . 331 ILE N . 50002 1
223 . 1 . 1 51 51 ASP H H 1 9.071 0.00 . 1 . . . . . 332 ASP H . 50002 1
224 . 1 . 1 51 51 ASP C C 13 171.741 0.02 . 1 . . . . . 332 ASP C . 50002 1
225 . 1 . 1 51 51 ASP CA C 13 52.736 0.06 . 1 . . . . . 332 ASP CA . 50002 1
226 . 1 . 1 51 51 ASP CB C 13 41.582 0.03 . 1 . . . . . 332 ASP CB . 50002 1
227 . 1 . 1 51 51 ASP N N 15 127.998 0.05 . 1 . . . . . 332 ASP N . 50002 1
228 . 1 . 1 52 52 TYR H H 1 7.871 0.00 . 1 . . . . . 333 TYR H . 50002 1
229 . 1 . 1 52 52 TYR C C 13 170.437 0.00 . 1 . . . . . 333 TYR C . 50002 1
230 . 1 . 1 52 52 TYR CA C 13 57.937 0.00 . 1 . . . . . 333 TYR CA . 50002 1
231 . 1 . 1 52 52 TYR CB C 13 42.338 0.00 . 1 . . . . . 333 TYR CB . 50002 1
232 . 1 . 1 52 52 TYR N N 15 124.665 0.04 . 1 . . . . . 333 TYR N . 50002 1
233 . 1 . 1 53 53 ARG H H 1 8.672 0.00 . 1 . . . . . 334 ARG H . 50002 1
234 . 1 . 1 53 53 ARG CA C 13 57.324 0.00 . 1 . . . . . 334 ARG CA . 50002 1
235 . 1 . 1 53 53 ARG N N 15 116.727 0.01 . 1 . . . . . 334 ARG N . 50002 1
236 . 1 . 1 54 54 LYS H H 1 8.304 0.54 . 1 . . . . . 335 LYS H . 50002 1
237 . 1 . 1 54 54 LYS CA C 13 54.203 0.00 . 1 . . . . . 335 LYS CA . 50002 1
238 . 1 . 1 54 54 LYS N N 15 123.284 1.74 . 1 . . . . . 335 LYS N . 50002 1
239 . 1 . 1 55 55 ASP H H 1 9.044 0.00 . 1 . . . . . 336 ASP H . 50002 1
240 . 1 . 1 55 55 ASP CA C 13 57.134 0.08 . 1 . . . . . 336 ASP CA . 50002 1
241 . 1 . 1 55 55 ASP N N 15 123.940 0.00 . 1 . . . . . 336 ASP N . 50002 1
242 . 1 . 1 56 56 GLU H H 1 7.915 0.01 . 1 . . . . . 337 GLU H . 50002 1
243 . 1 . 1 56 56 GLU CA C 13 58.936 0.01 . 1 . . . . . 337 GLU CA . 50002 1
244 . 1 . 1 56 56 GLU N N 15 118.772 0.03 . 1 . . . . . 337 GLU N . 50002 1
245 . 1 . 1 57 57 THR H H 1 7.853 0.00 . 1 . . . . . 338 THR H . 50002 1
246 . 1 . 1 57 57 THR CA C 13 60.828 0.10 . 1 . . . . . 338 THR CA . 50002 1
247 . 1 . 1 57 57 THR CB C 13 69.367 0.00 . 1 . . . . . 338 THR CB . 50002 1
248 . 1 . 1 57 57 THR CG2 C 13 21.630 0.04 . 1 . . . . . 338 THR CG . 50002 1
249 . 1 . 1 57 57 THR N N 15 109.346 0.00 . 1 . . . . . 338 THR N . 50002 1
250 . 1 . 1 58 58 GLU H H 1 7.230 0.01 . 1 . . . . . 339 GLU H . 50002 1
251 . 1 . 1 58 58 GLU C C 13 171.281 0.03 . 1 . . . . . 339 GLU C . 50002 1
252 . 1 . 1 58 58 GLU CA C 13 53.383 0.10 . 1 . . . . . 339 GLU CA . 50002 1
253 . 1 . 1 58 58 GLU CB C 13 33.960 0.00 . 1 . . . . . 339 GLU CB . 50002 1
254 . 1 . 1 58 58 GLU N N 15 118.026 0.07 . 1 . . . . . 339 GLU N . 50002 1
255 . 1 . 1 59 59 ALA H H 1 8.779 0.00 . 1 . . . . . 340 ALA H . 50002 1
256 . 1 . 1 59 59 ALA C C 13 172.800 0.02 . 1 . . . . . 340 ALA C . 50002 1
257 . 1 . 1 59 59 ALA CA C 13 50.366 0.04 . 1 . . . . . 340 ALA CA . 50002 1
258 . 1 . 1 59 59 ALA CB C 13 24.038 0.04 . 1 . . . . . 340 ALA CB . 50002 1
259 . 1 . 1 59 59 ALA N N 15 120.261 0.06 . 1 . . . . . 340 ALA N . 50002 1
260 . 1 . 1 60 60 ILE H H 1 8.648 0.01 . 1 . . . . . 341 ILE H . 50002 1
261 . 1 . 1 60 60 ILE C C 13 171.643 0.01 . 1 . . . . . 341 ILE C . 50002 1
262 . 1 . 1 60 60 ILE CA C 13 61.214 0.03 . 1 . . . . . 341 ILE CA . 50002 1
263 . 1 . 1 60 60 ILE CB C 13 40.366 0.09 . 1 . . . . . 341 ILE CB . 50002 1
264 . 1 . 1 60 60 ILE N N 15 119.720 0.05 . 1 . . . . . 341 ILE N . 50002 1
265 . 1 . 1 61 61 ILE H H 1 9.016 0.00 . 1 . . . . . 342 ILE H . 50002 1
266 . 1 . 1 61 61 ILE C C 13 171.043 0.03 . 1 . . . . . 342 ILE C . 50002 1
267 . 1 . 1 61 61 ILE CA C 13 58.253 0.07 . 1 . . . . . 342 ILE CA . 50002 1
268 . 1 . 1 61 61 ILE CB C 13 38.261 0.04 . 1 . . . . . 342 ILE CB . 50002 1
269 . 1 . 1 61 61 ILE N N 15 127.863 0.04 . 1 . . . . . 342 ILE N . 50002 1
270 . 1 . 1 62 62 ARG H H 1 8.148 0.00 . 1 . . . . . 343 ARG H . 50002 1
271 . 1 . 1 62 62 ARG C C 13 172.351 0.03 . 1 . . . . . 343 ARG C . 50002 1
272 . 1 . 1 62 62 ARG CA C 13 54.355 0.04 . 1 . . . . . 343 ARG CA . 50002 1
273 . 1 . 1 62 62 ARG CB C 13 32.016 0.09 . 1 . . . . . 343 ARG CB . 50002 1
274 . 1 . 1 62 62 ARG CG C 13 26.917 0.00 . 1 . . . . . 343 ARG CG . 50002 1
275 . 1 . 1 62 62 ARG N N 15 125.485 0.03 . 1 . . . . . 343 ARG N . 50002 1
276 . 1 . 1 63 63 TRP H H 1 9.412 0.01 . 1 . . . . . 344 TRP H . 50002 1
277 . 1 . 1 63 63 TRP HE1 H 1 10.370 0.01 . 1 . . . . . 344 TRP HE1 . 50002 1
278 . 1 . 1 63 63 TRP C C 13 172.688 0.00 . 1 . . . . . 344 TRP C . 50002 1
279 . 1 . 1 63 63 TRP CA C 13 57.339 0.07 . 1 . . . . . 344 TRP CA . 50002 1
280 . 1 . 1 63 63 TRP CB C 13 32.413 0.17 . 1 . . . . . 344 TRP CB . 50002 1
281 . 1 . 1 63 63 TRP N N 15 129.198 0.03 . 1 . . . . . 344 TRP N . 50002 1
282 . 1 . 1 63 63 TRP NE1 N 15 130.885 0.07 . 1 . . . . . 344 TRP NE1 . 50002 1
283 . 1 . 1 64 64 LYS H H 1 7.745 0.02 . 1 . . . . . 345 LYS H . 50002 1
284 . 1 . 1 64 64 LYS C C 13 173.851 0.02 . 1 . . . . . 345 LYS C . 50002 1
285 . 1 . 1 64 64 LYS CG C 13 25.609 0.00 . 1 . . . . . 345 LYS CG . 50002 1
286 . 1 . 1 64 64 LYS CD C 13 29.771 0.00 . 1 . . . . . 345 LYS CD . 50002 1
287 . 1 . 1 64 64 LYS CE C 13 42.322 0.00 . 1 . . . . . 345 LYS CE . 50002 1
288 . 1 . 1 64 64 LYS N N 15 117.928 0.05 . 1 . . . . . 345 LYS N . 50002 1
289 . 1 . 1 65 65 THR H H 1 7.386 0.01 . 1 . . . . . 346 THR H . 50002 1
290 . 1 . 1 65 65 THR CA C 13 59.004 0.08 . 1 . . . . . 346 THR CA . 50002 1
291 . 1 . 1 65 65 THR CB C 13 70.843 0.00 . 1 . . . . . 346 THR CB . 50002 1
292 . 1 . 1 65 65 THR N N 15 104.035 0.07 . 1 . . . . . 346 THR N . 50002 1
293 . 1 . 1 66 66 PRO C C 13 176.212 0.04 . 1 . . . . . 347 PRO C . 50002 1
294 . 1 . 1 66 66 PRO CA C 13 64.666 0.14 . 1 . . . . . 347 PRO CA . 50002 1
295 . 1 . 1 66 66 PRO CB C 13 32.234 0.00 . 1 . . . . . 347 PRO CB . 50002 1
296 . 1 . 1 66 66 PRO CG C 13 27.655 0.00 . 1 . . . . . 347 PRO CG . 50002 1
297 . 1 . 1 67 67 LEU H H 1 7.786 0.00 . 1 . . . . . 348 LEU H . 50002 1
298 . 1 . 1 67 67 LEU C C 13 177.987 0.01 . 1 . . . . . 348 LEU C . 50002 1
299 . 1 . 1 67 67 LEU CA C 13 57.437 0.08 . 1 . . . . . 348 LEU CA . 50002 1
300 . 1 . 1 67 67 LEU CB C 13 41.236 0.04 . 1 . . . . . 348 LEU CB . 50002 1
301 . 1 . 1 67 67 LEU CG C 13 27.244 0.00 . 1 . . . . . 348 LEU CG . 50002 1
302 . 1 . 1 67 67 LEU CD1 C 13 25.344 0.00 . 1 . . . . . 348 LEU CD . 50002 1
303 . 1 . 1 67 67 LEU CD2 C 13 25.344 0.00 . 1 . . . . . 348 LEU CD . 50002 1
304 . 1 . 1 67 67 LEU N N 15 119.155 0.02 . 1 . . . . . 348 LEU N . 50002 1
305 . 1 . 1 68 68 HIS H H 1 7.933 0.01 . 1 . . . . . 349 HIS H . 50002 1
306 . 1 . 1 68 68 HIS C C 13 173.490 0.02 . 1 . . . . . 349 HIS C . 50002 1
307 . 1 . 1 68 68 HIS CA C 13 62.451 0.10 . 1 . . . . . 349 HIS CA . 50002 1
308 . 1 . 1 68 68 HIS CB C 13 32.170 0.04 . 1 . . . . . 349 HIS CB . 50002 1
309 . 1 . 1 68 68 HIS N N 15 121.375 0.05 . 1 . . . . . 349 HIS N . 50002 1
310 . 1 . 1 69 69 ALA H H 1 6.911 0.00 . 1 . . . . . 350 ALA H . 50002 1
311 . 1 . 1 69 69 ALA C C 13 175.864 0.02 . 1 . . . . . 350 ALA C . 50002 1
312 . 1 . 1 69 69 ALA CA C 13 55.339 0.07 . 1 . . . . . 350 ALA CA . 50002 1
313 . 1 . 1 69 69 ALA CB C 13 18.507 0.02 . 1 . . . . . 350 ALA CB . 50002 1
314 . 1 . 1 69 69 ALA N N 15 121.359 0.03 . 1 . . . . . 350 ALA N . 50002 1
315 . 1 . 1 70 70 GLU H H 1 8.220 0.00 . 1 . . . . . 351 GLU H . 50002 1
316 . 1 . 1 70 70 GLU C C 13 175.651 0.01 . 1 . . . . . 351 GLU C . 50002 1
317 . 1 . 1 70 70 GLU CA C 13 59.362 0.08 . 1 . . . . . 351 GLU CA . 50002 1
318 . 1 . 1 70 70 GLU CB C 13 29.909 0.02 . 1 . . . . . 351 GLU CB . 50002 1
319 . 1 . 1 70 70 GLU CG C 13 35.857 0.00 . 1 . . . . . 351 GLU CG . 50002 1
320 . 1 . 1 70 70 GLU N N 15 117.743 0.04 . 1 . . . . . 351 GLU N . 50002 1
321 . 1 . 1 71 71 THR H H 1 7.864 0.00 . 1 . . . . . 352 THR H . 50002 1
322 . 1 . 1 71 71 THR C C 13 171.853 0.01 . 1 . . . . . 352 THR C . 50002 1
323 . 1 . 1 71 71 THR CA C 13 67.127 0.15 . 1 . . . . . 352 THR CA . 50002 1
324 . 1 . 1 71 71 THR CB C 13 67.833 0.08 . 1 . . . . . 352 THR CB . 50002 1
325 . 1 . 1 71 71 THR CG2 C 13 19.667 0.00 . 1 . . . . . 352 THR CG . 50002 1
326 . 1 . 1 71 71 THR N N 15 116.429 0.02 . 1 . . . . . 352 THR N . 50002 1
327 . 1 . 1 72 72 CYS H H 1 7.529 0.00 . 1 . . . . . 353 CYS H . 50002 1
328 . 1 . 1 72 72 CYS C C 13 172.595 0.03 . 1 . . . . . 353 CYS C . 50002 1
329 . 1 . 1 72 72 CYS CA C 13 62.349 0.09 . 1 . . . . . 353 CYS CA . 50002 1
330 . 1 . 1 72 72 CYS CB C 13 25.785 0.04 . 1 . . . . . 353 CYS CB . 50002 1
331 . 1 . 1 72 72 CYS N N 15 120.819 0.05 . 1 . . . . . 353 CYS N . 50002 1
332 . 1 . 1 73 73 ILE H H 1 7.815 0.00 . 1 . . . . . 354 ILE H . 50002 1
333 . 1 . 1 73 73 ILE C C 13 176.288 0.00 . 1 . . . . . 354 ILE C . 50002 1
334 . 1 . 1 73 73 ILE CA C 13 64.878 0.09 . 1 . . . . . 354 ILE CA . 50002 1
335 . 1 . 1 73 73 ILE CB C 13 37.205 0.08 . 1 . . . . . 354 ILE CB . 50002 1
336 . 1 . 1 73 73 ILE N N 15 117.080 0.04 . 1 . . . . . 354 ILE N . 50002 1
337 . 1 . 1 74 74 ASN H H 1 8.449 0.00 . 1 . . . . . 355 ASN H . 50002 1
338 . 1 . 1 74 74 ASN C C 13 174.905 0.00 . 1 . . . . . 355 ASN C . 50002 1
339 . 1 . 1 74 74 ASN CA C 13 56.160 0.02 . 1 . . . . . 355 ASN CA . 50002 1
340 . 1 . 1 74 74 ASN CB C 13 37.868 0.04 . 1 . . . . . 355 ASN CB . 50002 1
341 . 1 . 1 74 74 ASN N N 15 118.402 0.04 . 1 . . . . . 355 ASN N . 50002 1
342 . 1 . 1 75 75 ALA H H 1 8.526 0.01 . 1 . . . . . 356 ALA H . 50002 1
343 . 1 . 1 75 75 ALA CA C 13 54.903 0.00 . 1 . . . . . 356 ALA CA . 50002 1
344 . 1 . 1 75 75 ALA N N 15 123.712 0.03 . 1 . . . . . 356 ALA N . 50002 1
345 . 1 . 1 76 76 PHE H H 1 8.373 0.00 . 1 . . . . . 357 PHE H . 50002 1
346 . 1 . 1 76 76 PHE CA C 13 55.691 0.00 . 1 . . . . . 357 PHE CA . 50002 1
347 . 1 . 1 76 76 PHE N N 15 121.102 0.01 . 1 . . . . . 357 PHE N . 50002 1
348 . 1 . 1 77 77 ARG H H 1 7.948 0.00 . 1 . . . . . 358 ARG H . 50002 1
349 . 1 . 1 77 77 ARG CA C 13 60.753 0.07 . 1 . . . . . 358 ARG CA . 50002 1
350 . 1 . 1 77 77 ARG N N 15 111.721 0.00 . 1 . . . . . 358 ARG N . 50002 1
351 . 1 . 1 78 78 THR H H 1 8.262 0.00 . 1 . . . . . 359 THR H . 50002 1
352 . 1 . 1 78 78 THR CA C 13 63.041 0.00 . 1 . . . . . 359 THR CA . 50002 1
353 . 1 . 1 78 78 THR N N 15 116.553 0.01 . 1 . . . . . 359 THR N . 50002 1
354 . 1 . 1 80 80 GLU H H 1 8.208 0.00 . 1 . . . . . 361 GLU H . 50002 1
355 . 1 . 1 80 80 GLU CA C 13 59.080 0.00 . 1 . . . . . 361 GLU CA . 50002 1
356 . 1 . 1 80 80 GLU N N 15 121.385 0.00 . 1 . . . . . 361 GLU N . 50002 1
357 . 1 . 1 81 81 ARG H H 1 8.857 0.00 . 1 . . . . . 362 ARG H . 50002 1
358 . 1 . 1 81 81 ARG CA C 13 56.362 0.05 . 1 . . . . . 362 ARG CA . 50002 1
359 . 1 . 1 81 81 ARG N N 15 124.089 0.00 . 1 . . . . . 362 ARG N . 50002 1
360 . 1 . 1 82 82 LYS H H 1 7.719 0.01 . 1 . . . . . 363 LYS H . 50002 1
361 . 1 . 1 82 82 LYS CA C 13 59.706 0.01 . 1 . . . . . 363 LYS CA . 50002 1
362 . 1 . 1 82 82 LYS N N 15 121.001 0.10 . 1 . . . . . 363 LYS N . 50002 1
363 . 1 . 1 83 83 GLN H H 1 8.027 0.00 . 1 . . . . . 364 GLN H . 50002 1
364 . 1 . 1 83 83 GLN N N 15 124.953 0.00 . 1 . . . . . 364 GLN N . 50002 1
365 . 1 . 1 85 85 SER H H 1 8.550 0.00 . 1 . . . . . 366 SER H . 50002 1
366 . 1 . 1 85 85 SER CA C 13 61.311 0.05 . 1 . . . . . 366 SER CA . 50002 1
367 . 1 . 1 85 85 SER N N 15 119.885 0.00 . 1 . . . . . 366 SER N . 50002 1
368 . 1 . 1 86 86 HIS H H 1 8.496 0.00 . 1 . . . . . 367 HIS H . 50002 1
369 . 1 . 1 86 86 HIS N N 15 114.761 0.00 . 1 . . . . . 367 HIS N . 50002 1
370 . 1 . 1 87 87 ASP H H 1 8.402 0.00 . 1 . . . . . 368 ASP H . 50002 1
371 . 1 . 1 87 87 ASP CA C 13 54.530 0.02 . 1 . . . . . 368 ASP CA . 50002 1
372 . 1 . 1 87 87 ASP N N 15 120.355 0.00 . 1 . . . . . 368 ASP N . 50002 1
373 . 1 . 1 88 88 ASP H H 1 9.650 0.00 . 1 . . . . . 369 ASP H . 50002 1
374 . 1 . 1 88 88 ASP N N 15 127.819 0.00 . 1 . . . . . 369 ASP N . 50002 1
375 . 1 . 1 89 89 ILE CA C 13 62.755 0.00 . 1 . . . . . 370 ILE CA . 50002 1
376 . 1 . 1 90 90 ARG H H 1 7.864 0.00 . 1 . . . . . 371 ARG H . 50002 1
377 . 1 . 1 90 90 ARG CA C 13 57.655 0.00 . 1 . . . . . 371 ARG CA . 50002 1
378 . 1 . 1 90 90 ARG N N 15 113.373 0.00 . 1 . . . . . 371 ARG N . 50002 1
379 . 1 . 1 91 91 ALA H H 1 8.864 0.01 . 1 . . . . . 372 ALA H . 50002 1
380 . 1 . 1 91 91 ALA CA C 13 53.673 1.40 . 1 . . . . . 372 ALA CA . 50002 1
381 . 1 . 1 91 91 ALA CB C 13 18.403 0.01 . 1 . . . . . 372 ALA CB . 50002 1
382 . 1 . 1 91 91 ALA N N 15 119.448 0.08 . 1 . . . . . 372 ALA N . 50002 1
383 . 1 . 1 92 92 HIS H H 1 8.200 0.00 . 1 . . . . . 373 HIS H . 50002 1
384 . 1 . 1 92 92 HIS CA C 13 56.189 0.00 . 1 . . . . . 373 HIS CA . 50002 1
385 . 1 . 1 92 92 HIS CB C 13 29.797 0.00 . 1 . . . . . 373 HIS CB . 50002 1
386 . 1 . 1 92 92 HIS N N 15 115.309 0.03 . 1 . . . . . 373 HIS N . 50002 1
387 . 1 . 1 93 93 ARG H H 1 8.518 0.00 . 1 . . . . . 374 ARG H . 50002 1
388 . 1 . 1 93 93 ARG CA C 13 54.697 0.00 . 1 . . . . . 374 ARG CA . 50002 1
389 . 1 . 1 93 93 ARG N N 15 126.165 0.00 . 1 . . . . . 374 ARG N . 50002 1
390 . 1 . 1 94 94 LYS H H 1 7.500 0.00 . 1 . . . . . 375 LYS H . 50002 1
391 . 1 . 1 94 94 LYS CA C 13 55.329 0.00 . 1 . . . . . 375 LYS CA . 50002 1
392 . 1 . 1 94 94 LYS N N 15 119.356 0.04 . 1 . . . . . 375 LYS N . 50002 1
393 . 1 . 1 95 95 LYS H H 1 7.831 0.00 . 1 . . . . . 376 LYS H . 50002 1
394 . 1 . 1 95 95 LYS CA C 13 55.172 0.00 . 1 . . . . . 376 LYS CA . 50002 1
395 . 1 . 1 95 95 LYS N N 15 119.733 0.00 . 1 . . . . . 376 LYS N . 50002 1
396 . 1 . 1 96 96 GLY CA C 13 45.305 0.08 . 1 . . . . . 377 GLY CA . 50002 1
397 . 1 . 1 97 97 SER H H 1 7.900 0.00 . 1 . . . . . 378 SER H . 50002 1
398 . 1 . 1 97 97 SER CA C 13 59.257 0.02 . 1 . . . . . 378 SER CA . 50002 1
399 . 1 . 1 97 97 SER CB C 13 64.329 0.03 . 1 . . . . . 378 SER CB . 50002 1
400 . 1 . 1 97 97 SER N N 15 116.112 0.01 . 1 . . . . . 378 SER N . 50002 1
401 . 1 . 1 98 98 SER H H 1 8.634 0.00 . 1 . . . . . 379 SER H . 50002 1
402 . 1 . 1 98 98 SER CA C 13 57.703 0.02 . 1 . . . . . 379 SER CA . 50002 1
403 . 1 . 1 98 98 SER N N 15 118.445 0.02 . 1 . . . . . 379 SER N . 50002 1
404 . 1 . 1 99 99 ARG H H 1 8.891 0.00 . 1 . . . . . 380 ARG H . 50002 1
405 . 1 . 1 99 99 ARG CA C 13 56.538 0.00 . 1 . . . . . 380 ARG CA . 50002 1
406 . 1 . 1 99 99 ARG N N 15 126.093 0.00 . 1 . . . . . 380 ARG N . 50002 1
407 . 1 . 1 102 102 LEU C C 13 174.304 0.02 . 1 . . . . . 383 LEU C . 50002 1
408 . 1 . 1 103 103 ILE H H 1 7.640 0.17 . 1 . . . . . 384 ILE H . 50002 1
409 . 1 . 1 103 103 ILE C C 13 170.544 0.02 . 1 . . . . . 384 ILE C . 50002 1
410 . 1 . 1 103 103 ILE CA C 13 59.688 0.07 . 1 . . . . . 384 ILE CA . 50002 1
411 . 1 . 1 103 103 ILE CB C 13 43.324 0.00 . 1 . . . . . 384 ILE CB . 50002 1
412 . 1 . 1 103 103 ILE CG1 C 13 27.208 0.00 . 1 . . . . . 384 ILE CG1 . 50002 1
413 . 1 . 1 103 103 ILE N N 15 121.316 0.09 . 1 . . . . . 384 ILE N . 50002 1
414 . 1 . 1 104 104 ALA H H 1 8.217 0.00 . 1 . . . . . 385 ALA H . 50002 1
415 . 1 . 1 104 104 ALA C C 13 173.217 0.02 . 1 . . . . . 385 ALA C . 50002 1
416 . 1 . 1 104 104 ALA CA C 13 49.550 0.07 . 1 . . . . . 385 ALA CA . 50002 1
417 . 1 . 1 104 104 ALA CB C 13 23.752 0.07 . 1 . . . . . 385 ALA CB . 50002 1
418 . 1 . 1 104 104 ALA N N 15 125.812 0.03 . 1 . . . . . 385 ALA N . 50002 1
419 . 1 . 1 105 105 GLU H H 1 9.064 0.01 . 1 . . . . . 386 GLU H . 50002 1
420 . 1 . 1 105 105 GLU C C 13 171.815 0.01 . 1 . . . . . 386 GLU C . 50002 1
421 . 1 . 1 105 105 GLU CA C 13 53.845 0.11 . 1 . . . . . 386 GLU CA . 50002 1
422 . 1 . 1 105 105 GLU CB C 13 33.765 0.18 . 1 . . . . . 386 GLU CB . 50002 1
423 . 1 . 1 105 105 GLU CG C 13 35.293 0.00 . 1 . . . . . 386 GLU CG . 50002 1
424 . 1 . 1 105 105 GLU N N 15 119.648 0.06 . 1 . . . . . 386 GLU N . 50002 1
425 . 1 . 1 106 106 LEU H H 1 9.042 0.01 . 1 . . . . . 387 LEU H . 50002 1
426 . 1 . 1 106 106 LEU C C 13 174.569 0.02 . 1 . . . . . 387 LEU C . 50002 1
427 . 1 . 1 106 106 LEU CA C 13 55.158 0.08 . 1 . . . . . 387 LEU CA . 50002 1
428 . 1 . 1 106 106 LEU CB C 13 43.371 0.03 . 1 . . . . . 387 LEU CB . 50002 1
429 . 1 . 1 106 106 LEU N N 15 126.378 0.04 . 1 . . . . . 387 LEU N . 50002 1
430 . 1 . 1 107 107 ILE H H 1 8.051 0.00 . 1 . . . . . 388 ILE H . 50002 1
431 . 1 . 1 107 107 ILE C C 13 171.830 0.01 . 1 . . . . . 388 ILE C . 50002 1
432 . 1 . 1 107 107 ILE CA C 13 61.579 0.08 . 1 . . . . . 388 ILE CA . 50002 1
433 . 1 . 1 107 107 ILE CB C 13 37.347 0.09 . 1 . . . . . 388 ILE CB . 50002 1
434 . 1 . 1 107 107 ILE N N 15 128.182 0.02 . 1 . . . . . 388 ILE N . 50002 1
435 . 1 . 1 108 108 THR H H 1 8.641 0.00 . 1 . . . . . 389 THR H . 50002 1
436 . 1 . 1 108 108 THR HA H 1 4.776 0.00 . 1 . . . . . 389 THR HA . 50002 1
437 . 1 . 1 108 108 THR HB H 1 3.976 0.00 . 1 . . . . . 389 THR HB . 50002 1
438 . 1 . 1 108 108 THR C C 13 173.183 0.01 . 1 . . . . . 389 THR C . 50002 1
439 . 1 . 1 108 108 THR CA C 13 60.126 0.07 . 1 . . . . . 389 THR CA . 50002 1
440 . 1 . 1 108 108 THR CB C 13 71.785 0.05 . 1 . . . . . 389 THR CB . 50002 1
441 . 1 . 1 108 108 THR CG2 C 13 20.205 0.00 . 1 . . . . . 389 THR CG . 50002 1
442 . 1 . 1 108 108 THR N N 15 118.242 0.02 . 1 . . . . . 389 THR N . 50002 1
443 . 1 . 1 109 109 GLY H H 1 8.532 0.00 . 1 . . . . . 390 GLY H . 50002 1
444 . 1 . 1 109 109 GLY HA2 H 1 3.759 0.00 . 1 . . . . . 390 GLY HA . 50002 1
445 . 1 . 1 109 109 GLY HA3 H 1 3.759 0.00 . 1 . . . . . 390 GLY HA . 50002 1
446 . 1 . 1 109 109 GLY C C 13 173.666 0.02 . 1 . . . . . 390 GLY C . 50002 1
447 . 1 . 1 109 109 GLY CA C 13 46.603 0.09 . 1 . . . . . 390 GLY CA . 50002 1
448 . 1 . 1 109 109 GLY N N 15 107.492 0.04 . 1 . . . . . 390 GLY N . 50002 1
449 . 1 . 1 110 110 GLU H H 1 9.155 0.01 . 1 . . . . . 391 GLU H . 50002 1
450 . 1 . 1 110 110 GLU C C 13 175.316 0.02 . 1 . . . . . 391 GLU C . 50002 1
451 . 1 . 1 110 110 GLU CA C 13 58.890 0.08 . 1 . . . . . 391 GLU CA . 50002 1
452 . 1 . 1 110 110 GLU CB C 13 29.346 0.01 . 1 . . . . . 391 GLU CB . 50002 1
453 . 1 . 1 110 110 GLU N N 15 126.607 0.04 . 1 . . . . . 391 GLU N . 50002 1
454 . 1 . 1 111 111 GLU H H 1 8.653 0.01 . 1 . . . . . 392 GLU H . 50002 1
455 . 1 . 1 111 111 GLU C C 13 176.295 0.03 . 1 . . . . . 392 GLU C . 50002 1
456 . 1 . 1 111 111 GLU CA C 13 59.899 0.04 . 1 . . . . . 392 GLU CA . 50002 1
457 . 1 . 1 111 111 GLU CB C 13 29.260 0.04 . 1 . . . . . 392 GLU CB . 50002 1
458 . 1 . 1 111 111 GLU CG C 13 36.631 0.00 . 1 . . . . . 392 GLU CG . 50002 1
459 . 1 . 1 111 111 GLU N N 15 120.112 0.04 . 1 . . . . . 392 GLU N . 50002 1
460 . 1 . 1 112 112 GLU H H 1 7.053 0.01 . 1 . . . . . 393 GLU H . 50002 1
461 . 1 . 1 112 112 GLU C C 13 174.037 0.02 . 1 . . . . . 393 GLU C . 50002 1
462 . 1 . 1 112 112 GLU CA C 13 58.922 0.08 . 1 . . . . . 393 GLU CA . 50002 1
463 . 1 . 1 112 112 GLU CB C 13 30.296 0.08 . 1 . . . . . 393 GLU CB . 50002 1
464 . 1 . 1 112 112 GLU CG C 13 37.285 0.00 . 1 . . . . . 393 GLU CG . 50002 1
465 . 1 . 1 112 112 GLU N N 15 121.099 0.04 . 1 . . . . . 393 GLU N . 50002 1
466 . 1 . 1 113 113 LYS H H 1 7.668 0.00 . 1 . . . . . 394 LYS H . 50002 1
467 . 1 . 1 113 113 LYS C C 13 176.083 0.02 . 1 . . . . . 394 LYS C . 50002 1
468 . 1 . 1 113 113 LYS CA C 13 60.201 0.08 . 1 . . . . . 394 LYS CA . 50002 1
469 . 1 . 1 113 113 LYS CB C 13 32.485 0.06 . 1 . . . . . 394 LYS CB . 50002 1
470 . 1 . 1 113 113 LYS N N 15 118.271 0.03 . 1 . . . . . 394 LYS N . 50002 1
471 . 1 . 1 114 114 ASN H H 1 8.663 0.00 . 1 . . . . . 395 ASN H . 50002 1
472 . 1 . 1 114 114 ASN C C 13 174.205 0.01 . 1 . . . . . 395 ASN C . 50002 1
473 . 1 . 1 114 114 ASN CA C 13 55.933 0.04 . 1 . . . . . 395 ASN CA . 50002 1
474 . 1 . 1 114 114 ASN CB C 13 37.947 0.06 . 1 . . . . . 395 ASN CB . 50002 1
475 . 1 . 1 114 114 ASN N N 15 116.246 0.06 . 1 . . . . . 395 ASN N . 50002 1
476 . 1 . 1 115 115 TYR H H 1 7.910 0.02 . 1 . . . . . 396 TYR H . 50002 1
477 . 1 . 1 115 115 TYR C C 13 175.456 0.01 . 1 . . . . . 396 TYR C . 50002 1
478 . 1 . 1 115 115 TYR CA C 13 62.245 0.09 . 1 . . . . . 396 TYR CA . 50002 1
479 . 1 . 1 115 115 TYR CB C 13 37.782 0.00 . 1 . . . . . 396 TYR CB . 50002 1
480 . 1 . 1 115 115 TYR N N 15 122.190 0.05 . 1 . . . . . 396 TYR N . 50002 1
481 . 1 . 1 116 116 TRP H H 1 7.472 0.00 . 1 . . . . . 397 TRP H . 50002 1
482 . 1 . 1 116 116 TRP HE1 H 1 10.559 0.10 . 1 . . . . . 397 TRP HE1 . 50002 1
483 . 1 . 1 116 116 TRP C C 13 176.253 0.03 . 1 . . . . . 397 TRP C . 50002 1
484 . 1 . 1 116 116 TRP CA C 13 60.553 0.10 . 1 . . . . . 397 TRP CA . 50002 1
485 . 1 . 1 116 116 TRP CB C 13 29.066 0.05 . 1 . . . . . 397 TRP CB . 50002 1
486 . 1 . 1 116 116 TRP N N 15 117.553 0.05 . 1 . . . . . 397 TRP N . 50002 1
487 . 1 . 1 116 116 TRP NE1 N 15 129.106 0.02 . 1 . . . . . 397 TRP NE1 . 50002 1
488 . 1 . 1 117 117 ARG H H 1 8.263 0.01 . 1 . . . . . 398 ARG H . 50002 1
489 . 1 . 1 117 117 ARG C C 13 175.800 0.01 . 1 . . . . . 398 ARG C . 50002 1
490 . 1 . 1 117 117 ARG CA C 13 59.336 0.09 . 1 . . . . . 398 ARG CA . 50002 1
491 . 1 . 1 117 117 ARG CB C 13 30.246 0.07 . 1 . . . . . 398 ARG CB . 50002 1
492 . 1 . 1 117 117 ARG CD C 13 43.414 0.00 . 1 . . . . . 398 ARG CD . 50002 1
493 . 1 . 1 117 117 ARG N N 15 120.067 0.02 . 1 . . . . . 398 ARG N . 50002 1
494 . 1 . 1 118 118 MET H H 1 7.491 0.00 . 1 . . . . . 399 MET H . 50002 1
495 . 1 . 1 118 118 MET C C 13 174.384 0.01 . 1 . . . . . 399 MET C . 50002 1
496 . 1 . 1 118 118 MET CA C 13 56.347 0.09 . 1 . . . . . 399 MET CA . 50002 1
497 . 1 . 1 118 118 MET CB C 13 31.773 0.15 . 1 . . . . . 399 MET CB . 50002 1
498 . 1 . 1 118 118 MET N N 15 115.912 0.04 . 1 . . . . . 399 MET N . 50002 1
499 . 1 . 1 119 119 LEU H H 1 7.257 0.00 . 1 . . . . . 400 LEU H . 50002 1
500 . 1 . 1 119 119 LEU C C 13 174.827 0.02 . 1 . . . . . 400 LEU C . 50002 1
501 . 1 . 1 119 119 LEU CA C 13 55.894 0.06 . 1 . . . . . 400 LEU CA . 50002 1
502 . 1 . 1 119 119 LEU CB C 13 42.255 0.03 . 1 . . . . . 400 LEU CB . 50002 1
503 . 1 . 1 119 119 LEU N N 15 119.928 0.04 . 1 . . . . . 400 LEU N . 50002 1
504 . 1 . 1 120 120 LYS H H 1 7.660 0.01 . 1 . . . . . 401 LYS H . 50002 1
505 . 1 . 1 120 120 LYS C C 13 172.675 0.02 . 1 . . . . . 401 LYS C . 50002 1
506 . 1 . 1 120 120 LYS CA C 13 56.816 0.73 . 1 . . . . . 401 LYS CA . 50002 1
507 . 1 . 1 120 120 LYS CB C 13 32.579 0.01 . 1 . . . . . 401 LYS CB . 50002 1
508 . 1 . 1 120 120 LYS N N 15 120.854 0.05 . 1 . . . . . 401 LYS N . 50002 1
509 . 1 . 1 121 121 LYS H H 1 7.728 0.00 . 1 . . . . . 402 LYS H . 50002 1
510 . 1 . 1 121 121 LYS C C 13 173.500 0.00 . 1 . . . . . 402 LYS C . 50002 1
511 . 1 . 1 121 121 LYS CA C 13 57.971 0.01 . 1 . . . . . 402 LYS CA . 50002 1
512 . 1 . 1 121 121 LYS CB C 13 33.437 0.00 . 1 . . . . . 402 LYS CB . 50002 1
513 . 1 . 1 121 121 LYS N N 15 127.809 0.04 . 1 . . . . . 402 LYS N . 50002 1
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