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 50603
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name dbd_assigned_shifts
_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' . . . 50603 1
2 '3D HNCO' . . . 50603 1
3 '3D HNCA' . . . 50603 1
4 '3D HNCACB' . . . 50603 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
'2H isotope effect' . . . . 50603 1
'TROSY offset' 'amide nitrogens' . . . 50603 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 . . 50603 1
2 $software_2 . . 50603 1
3 $software_3 . . 50603 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 3 3 GLY C C 13 173.781 0.00 . . . . . . . 417 GLY C . 50603 1
2 . 1 . 1 3 3 GLY CA C 13 44.650 0.14 . . . . . . . 417 GLY CA . 50603 1
3 . 1 . 1 4 4 SER H H 1 7.950 0.02 . . . . . . . 418 SER H . 50603 1
4 . 1 . 1 4 4 SER C C 13 173.720 0.00 . . . . . . . 418 SER C . 50603 1
5 . 1 . 1 4 4 SER CA C 13 57.623 0.06 . . . . . . . 418 SER CA . 50603 1
6 . 1 . 1 4 4 SER CB C 13 62.945 0.04 . . . . . . . 418 SER CB . 50603 1
7 . 1 . 1 4 4 SER N N 15 115.904 0.06 . . . . . . . 418 SER N . 50603 1
8 . 1 . 1 5 5 TRP H H 1 8.451 0.03 . . . . . . . 419 TRP H . 50603 1
9 . 1 . 1 5 5 TRP C C 13 175.033 0.00 . . . . . . . 419 TRP C . 50603 1
10 . 1 . 1 5 5 TRP CA C 13 55.589 0.08 . . . . . . . 419 TRP CA . 50603 1
11 . 1 . 1 5 5 TRP CB C 13 29.117 0.03 . . . . . . . 419 TRP CB . 50603 1
12 . 1 . 1 5 5 TRP N N 15 125.093 0.04 . . . . . . . 419 TRP N . 50603 1
13 . 1 . 1 6 6 LEU H H 1 7.913 0.03 . . . . . . . 420 LEU H . 50603 1
14 . 1 . 1 6 6 LEU C C 13 175.687 0.00 . . . . . . . 420 LEU C . 50603 1
15 . 1 . 1 6 6 LEU CA C 13 53.028 0.11 . . . . . . . 420 LEU CA . 50603 1
16 . 1 . 1 6 6 LEU CB C 13 42.827 0.06 . . . . . . . 420 LEU CB . 50603 1
17 . 1 . 1 6 6 LEU N N 15 122.843 0.03 . . . . . . . 420 LEU N . 50603 1
18 . 1 . 1 7 7 CYS H H 1 9.283 0.02 . . . . . . . 421 CYS H . 50603 1
19 . 1 . 1 7 7 CYS C C 13 178.210 0.00 . . . . . . . 421 CYS C . 50603 1
20 . 1 . 1 7 7 CYS CA C 13 58.712 0.07 . . . . . . . 421 CYS CA . 50603 1
21 . 1 . 1 7 7 CYS CB C 13 29.810 0.03 . . . . . . . 421 CYS CB . 50603 1
22 . 1 . 1 7 7 CYS N N 15 122.022 0.02 . . . . . . . 421 CYS N . 50603 1
23 . 1 . 1 8 8 LEU H H 1 8.727 0.03 . . . . . . . 422 LEU H . 50603 1
24 . 1 . 1 8 8 LEU C C 13 176.582 0.00 . . . . . . . 422 LEU C . 50603 1
25 . 1 . 1 8 8 LEU CA C 13 56.840 0.07 . . . . . . . 422 LEU CA . 50603 1
26 . 1 . 1 8 8 LEU CB C 13 40.657 0.12 . . . . . . . 422 LEU CB . 50603 1
27 . 1 . 1 8 8 LEU N N 15 133.002 0.02 . . . . . . . 422 LEU N . 50603 1
28 . 1 . 1 9 9 VAL H H 1 9.002 0.03 . . . . . . . 423 VAL H . 50603 1
29 . 1 . 1 9 9 VAL C C 13 176.131 0.00 . . . . . . . 423 VAL C . 50603 1
30 . 1 . 1 9 9 VAL CA C 13 65.248 0.05 . . . . . . . 423 VAL CA . 50603 1
31 . 1 . 1 9 9 VAL CB C 13 31.100 0.00 . . . . . . . 423 VAL CB . 50603 1
32 . 1 . 1 9 9 VAL N N 15 122.292 0.03 . . . . . . . 423 VAL N . 50603 1
33 . 1 . 1 10 10 CYS H H 1 8.441 0.03 . . . . . . . 424 CYS H . 50603 1
34 . 1 . 1 10 10 CYS C C 13 175.453 0.00 . . . . . . . 424 CYS C . 50603 1
35 . 1 . 1 10 10 CYS CA C 13 57.966 0.06 . . . . . . . 424 CYS CA . 50603 1
36 . 1 . 1 10 10 CYS CB C 13 33.142 0.24 . . . . . . . 424 CYS CB . 50603 1
37 . 1 . 1 10 10 CYS N N 15 118.266 0.02 . . . . . . . 424 CYS N . 50603 1
38 . 1 . 1 11 11 SER H H 1 7.755 0.03 . . . . . . . 425 SER H . 50603 1
39 . 1 . 1 11 11 SER CA C 13 60.938 0.05 . . . . . . . 425 SER CA . 50603 1
40 . 1 . 1 11 11 SER CB C 13 62.404 0.00 . . . . . . . 425 SER CB . 50603 1
41 . 1 . 1 11 11 SER N N 15 113.153 0.02 . . . . . . . 425 SER N . 50603 1
42 . 1 . 1 12 12 ASP H H 1 8.692 0.03 . . . . . . . 426 ASP H . 50603 1
43 . 1 . 1 12 12 ASP C C 13 174.518 0.00 . . . . . . . 426 ASP C . 50603 1
44 . 1 . 1 12 12 ASP CA C 13 53.051 0.13 . . . . . . . 426 ASP CA . 50603 1
45 . 1 . 1 12 12 ASP CB C 13 41.813 0.01 . . . . . . . 426 ASP CB . 50603 1
46 . 1 . 1 12 12 ASP N N 15 120.779 0.02 . . . . . . . 426 ASP N . 50603 1
47 . 1 . 1 13 13 GLU H H 1 8.816 0.02 . . . . . . . 427 GLU H . 50603 1
48 . 1 . 1 13 13 GLU CA C 13 57.351 0.06 . . . . . . . 427 GLU CA . 50603 1
49 . 1 . 1 13 13 GLU CB C 13 29.080 0.01 . . . . . . . 427 GLU CB . 50603 1
50 . 1 . 1 13 13 GLU N N 15 122.407 0.03 . . . . . . . 427 GLU N . 50603 1
51 . 1 . 1 14 14 ALA H H 1 8.361 0.01 . . . . . . . 428 ALA H . 50603 1
52 . 1 . 1 14 14 ALA C C 13 176.425 0.00 . . . . . . . 428 ALA C . 50603 1
53 . 1 . 1 14 14 ALA CA C 13 51.320 0.06 . . . . . . . 428 ALA CA . 50603 1
54 . 1 . 1 14 14 ALA CB C 13 18.188 0.01 . . . . . . . 428 ALA CB . 50603 1
55 . 1 . 1 14 14 ALA N N 15 126.479 0.02 . . . . . . . 428 ALA N . 50603 1
56 . 1 . 1 15 15 SER H H 1 9.015 0.03 . . . . . . . 429 SER H . 50603 1
57 . 1 . 1 15 15 SER C C 13 174.960 0.00 . . . . . . . 429 SER C . 50603 1
58 . 1 . 1 15 15 SER CA C 13 57.045 0.02 . . . . . . . 429 SER CA . 50603 1
59 . 1 . 1 15 15 SER CB C 13 64.282 0.00 . . . . . . . 429 SER CB . 50603 1
60 . 1 . 1 15 15 SER N N 15 113.895 0.02 . . . . . . . 429 SER N . 50603 1
61 . 1 . 1 16 16 GLY H H 1 7.555 0.03 . . . . . . . 430 GLY H . 50603 1
62 . 1 . 1 16 16 GLY C C 13 169.513 0.00 . . . . . . . 430 GLY C . 50603 1
63 . 1 . 1 16 16 GLY CA C 13 44.056 0.02 . . . . . . . 430 GLY CA . 50603 1
64 . 1 . 1 16 16 GLY N N 15 109.241 0.02 . . . . . . . 430 GLY N . 50603 1
65 . 1 . 1 17 17 CYS H H 1 8.094 0.01 . . . . . . . 431 CYS H . 50603 1
66 . 1 . 1 17 17 CYS C C 13 173.806 0.00 . . . . . . . 431 CYS C . 50603 1
67 . 1 . 1 17 17 CYS CA C 13 57.232 0.10 . . . . . . . 431 CYS CA . 50603 1
68 . 1 . 1 17 17 CYS N N 15 119.601 0.03 . . . . . . . 431 CYS N . 50603 1
69 . 1 . 1 18 18 HIS H H 1 8.679 0.03 . . . . . . . 432 HIS H . 50603 1
70 . 1 . 1 18 18 HIS C C 13 174.098 0.00 . . . . . . . 432 HIS C . 50603 1
71 . 1 . 1 18 18 HIS CA C 13 54.634 0.08 . . . . . . . 432 HIS CA . 50603 1
72 . 1 . 1 18 18 HIS CB C 13 30.816 0.00 . . . . . . . 432 HIS CB . 50603 1
73 . 1 . 1 18 18 HIS N N 15 127.257 0.04 . . . . . . . 432 HIS N . 50603 1
74 . 1 . 1 19 19 TYR H H 1 8.867 0.03 . . . . . . . 433 TYR H . 50603 1
75 . 1 . 1 19 19 TYR C C 13 175.371 0.00 . . . . . . . 433 TYR C . 50603 1
76 . 1 . 1 19 19 TYR CA C 13 58.088 0.08 . . . . . . . 433 TYR CA . 50603 1
77 . 1 . 1 19 19 TYR CB C 13 33.876 0.00 . . . . . . . 433 TYR CB . 50603 1
78 . 1 . 1 19 19 TYR N N 15 119.799 0.01 . . . . . . . 433 TYR N . 50603 1
79 . 1 . 1 20 20 GLY H H 1 8.216 0.03 . . . . . . . 434 GLY H . 50603 1
80 . 1 . 1 20 20 GLY C C 13 174.739 0.00 . . . . . . . 434 GLY C . 50603 1
81 . 1 . 1 20 20 GLY CA C 13 44.182 0.06 . . . . . . . 434 GLY CA . 50603 1
82 . 1 . 1 20 20 GLY N N 15 101.867 0.02 . . . . . . . 434 GLY N . 50603 1
83 . 1 . 1 21 21 VAL H H 1 7.506 0.03 . . . . . . . 435 VAL H . 50603 1
84 . 1 . 1 21 21 VAL C C 13 174.386 0.00 . . . . . . . 435 VAL C . 50603 1
85 . 1 . 1 21 21 VAL CA C 13 60.067 0.06 . . . . . . . 435 VAL CA . 50603 1
86 . 1 . 1 21 21 VAL CB C 13 35.490 0.05 . . . . . . . 435 VAL CB . 50603 1
87 . 1 . 1 21 21 VAL N N 15 119.573 0.04 . . . . . . . 435 VAL N . 50603 1
88 . 1 . 1 22 22 LEU H H 1 8.226 0.03 . . . . . . . 436 LEU H . 50603 1
89 . 1 . 1 22 22 LEU C C 13 174.991 0.00 . . . . . . . 436 LEU C . 50603 1
90 . 1 . 1 22 22 LEU CA C 13 55.596 0.07 . . . . . . . 436 LEU CA . 50603 1
91 . 1 . 1 22 22 LEU CB C 13 40.468 0.00 . . . . . . . 436 LEU CB . 50603 1
92 . 1 . 1 22 22 LEU N N 15 128.702 0.02 . . . . . . . 436 LEU N . 50603 1
93 . 1 . 1 23 23 THR H H 1 8.456 0.02 . . . . . . . 437 THR H . 50603 1
94 . 1 . 1 23 23 THR C C 13 175.399 0.00 . . . . . . . 437 THR C . 50603 1
95 . 1 . 1 23 23 THR CA C 13 58.982 0.03 . . . . . . . 437 THR CA . 50603 1
96 . 1 . 1 23 23 THR CB C 13 74.160 0.00 . . . . . . . 437 THR CB . 50603 1
97 . 1 . 1 23 23 THR N N 15 116.895 0.04 . . . . . . . 437 THR N . 50603 1
98 . 1 . 1 24 24 CYS H H 1 9.207 0.03 . . . . . . . 438 CYS H . 50603 1
99 . 1 . 1 24 24 CYS C C 13 176.504 0.00 . . . . . . . 438 CYS C . 50603 1
100 . 1 . 1 24 24 CYS CA C 13 57.235 0.07 . . . . . . . 438 CYS CA . 50603 1
101 . 1 . 1 24 24 CYS CB C 13 32.280 0.00 . . . . . . . 438 CYS CB . 50603 1
102 . 1 . 1 24 24 CYS N N 15 118.211 0.02 . . . . . . . 438 CYS N . 50603 1
103 . 1 . 1 25 25 GLY H H 1 9.017 0.03 . . . . . . . 439 GLY H . 50603 1
104 . 1 . 1 25 25 GLY C C 13 175.667 0.00 . . . . . . . 439 GLY C . 50603 1
105 . 1 . 1 25 25 GLY CA C 13 46.584 0.02 . . . . . . . 439 GLY CA . 50603 1
106 . 1 . 1 25 25 GLY N N 15 108.540 0.04 . . . . . . . 439 GLY N . 50603 1
107 . 1 . 1 26 26 SER H H 1 8.027 0.03 . . . . . . . 440 SER H . 50603 1
108 . 1 . 1 26 26 SER C C 13 179.325 0.00 . . . . . . . 440 SER C . 50603 1
109 . 1 . 1 26 26 SER CA C 13 60.807 0.08 . . . . . . . 440 SER CA . 50603 1
110 . 1 . 1 26 26 SER CB C 13 62.066 0.00 . . . . . . . 440 SER CB . 50603 1
111 . 1 . 1 26 26 SER N N 15 117.549 0.01 . . . . . . . 440 SER N . 50603 1
112 . 1 . 1 27 27 CYS H H 1 9.562 0.03 . . . . . . . 441 CYS H . 50603 1
113 . 1 . 1 27 27 CYS C C 13 176.943 0.00 . . . . . . . 441 CYS C . 50603 1
114 . 1 . 1 27 27 CYS CA C 13 64.907 0.13 . . . . . . . 441 CYS CA . 50603 1
115 . 1 . 1 27 27 CYS CB C 13 28.049 0.02 . . . . . . . 441 CYS CB . 50603 1
116 . 1 . 1 27 27 CYS N N 15 126.100 0.04 . . . . . . . 441 CYS N . 50603 1
117 . 1 . 1 28 28 LYS H H 1 7.721 0.04 . . . . . . . 442 LYS H . 50603 1
118 . 1 . 1 28 28 LYS C C 13 177.318 0.00 . . . . . . . 442 LYS C . 50603 1
119 . 1 . 1 28 28 LYS CA C 13 60.505 0.10 . . . . . . . 442 LYS CA . 50603 1
120 . 1 . 1 28 28 LYS CB C 13 31.089 0.00 . . . . . . . 442 LYS CB . 50603 1
121 . 1 . 1 28 28 LYS N N 15 120.116 0.05 . . . . . . . 442 LYS N . 50603 1
122 . 1 . 1 29 29 VAL H H 1 7.493 0.02 . . . . . . . 443 VAL H . 50603 1
123 . 1 . 1 29 29 VAL C C 13 177.927 0.00 . . . . . . . 443 VAL C . 50603 1
124 . 1 . 1 29 29 VAL CA C 13 65.418 0.04 . . . . . . . 443 VAL CA . 50603 1
125 . 1 . 1 29 29 VAL CB C 13 31.211 0.06 . . . . . . . 443 VAL CB . 50603 1
126 . 1 . 1 29 29 VAL N N 15 117.362 0.04 . . . . . . . 443 VAL N . 50603 1
127 . 1 . 1 30 30 PHE H H 1 8.343 0.03 . . . . . . . 444 PHE H . 50603 1
128 . 1 . 1 30 30 PHE C C 13 177.038 0.00 . . . . . . . 444 PHE C . 50603 1
129 . 1 . 1 30 30 PHE CA C 13 60.802 0.02 . . . . . . . 444 PHE CA . 50603 1
130 . 1 . 1 30 30 PHE CB C 13 38.589 0.00 . . . . . . . 444 PHE CB . 50603 1
131 . 1 . 1 30 30 PHE N N 15 121.196 0.01 . . . . . . . 444 PHE N . 50603 1
132 . 1 . 1 31 31 PHE H H 1 8.650 0.03 . . . . . . . 445 PHE H . 50603 1
133 . 1 . 1 31 31 PHE C C 13 175.631 0.00 . . . . . . . 445 PHE C . 50603 1
134 . 1 . 1 31 31 PHE CA C 13 61.939 0.04 . . . . . . . 445 PHE CA . 50603 1
135 . 1 . 1 31 31 PHE CB C 13 38.935 0.00 . . . . . . . 445 PHE CB . 50603 1
136 . 1 . 1 31 31 PHE N N 15 121.379 0.02 . . . . . . . 445 PHE N . 50603 1
137 . 1 . 1 32 32 LYS H H 1 7.756 0.03 . . . . . . . 446 LYS H . 50603 1
138 . 1 . 1 32 32 LYS C C 13 177.986 0.00 . . . . . . . 446 LYS C . 50603 1
139 . 1 . 1 32 32 LYS CA C 13 59.294 0.07 . . . . . . . 446 LYS CA . 50603 1
140 . 1 . 1 32 32 LYS CB C 13 31.891 0.04 . . . . . . . 446 LYS CB . 50603 1
141 . 1 . 1 32 32 LYS N N 15 118.234 0.02 . . . . . . . 446 LYS N . 50603 1
142 . 1 . 1 33 33 ARG H H 1 7.805 0.02 . . . . . . . 447 ARG H . 50603 1
143 . 1 . 1 33 33 ARG C C 13 179.236 0.00 . . . . . . . 447 ARG C . 50603 1
144 . 1 . 1 33 33 ARG CA C 13 58.244 0.09 . . . . . . . 447 ARG CA . 50603 1
145 . 1 . 1 33 33 ARG CB C 13 29.039 0.00 . . . . . . . 447 ARG CB . 50603 1
146 . 1 . 1 33 33 ARG N N 15 115.922 0.04 . . . . . . . 447 ARG N . 50603 1
147 . 1 . 1 34 34 ALA H H 1 7.748 0.03 . . . . . . . 448 ALA H . 50603 1
148 . 1 . 1 34 34 ALA C C 13 179.761 0.00 . . . . . . . 448 ALA C . 50603 1
149 . 1 . 1 34 34 ALA CA C 13 53.886 0.08 . . . . . . . 448 ALA CA . 50603 1
150 . 1 . 1 34 34 ALA CB C 13 17.562 0.05 . . . . . . . 448 ALA CB . 50603 1
151 . 1 . 1 34 34 ALA N N 15 123.344 0.04 . . . . . . . 448 ALA N . 50603 1
152 . 1 . 1 35 35 VAL H H 1 7.859 0.03 . . . . . . . 449 VAL H . 50603 1
153 . 1 . 1 35 35 VAL C C 13 179.951 0.00 . . . . . . . 449 VAL C . 50603 1
154 . 1 . 1 35 35 VAL CA C 13 64.584 0.04 . . . . . . . 449 VAL CA . 50603 1
155 . 1 . 1 35 35 VAL CB C 13 30.944 0.00 . . . . . . . 449 VAL CB . 50603 1
156 . 1 . 1 35 35 VAL N N 15 116.902 0.02 . . . . . . . 449 VAL N . 50603 1
157 . 1 . 1 36 36 GLU H H 1 8.127 0.03 . . . . . . . 450 GLU H . 50603 1
158 . 1 . 1 36 36 GLU C C 13 178.385 0.00 . . . . . . . 450 GLU C . 50603 1
159 . 1 . 1 36 36 GLU CA C 13 58.255 0.10 . . . . . . . 450 GLU CA . 50603 1
160 . 1 . 1 36 36 GLU CB C 13 28.409 0.00 . . . . . . . 450 GLU CB . 50603 1
161 . 1 . 1 36 36 GLU N N 15 120.189 0.04 . . . . . . . 450 GLU N . 50603 1
162 . 1 . 1 37 37 GLY H H 1 7.506 0.03 . . . . . . . 451 GLY H . 50603 1
163 . 1 . 1 37 37 GLY C C 13 173.012 0.00 . . . . . . . 451 GLY C . 50603 1
164 . 1 . 1 37 37 GLY CA C 13 44.266 0.03 . . . . . . . 451 GLY CA . 50603 1
165 . 1 . 1 37 37 GLY N N 15 105.391 0.04 . . . . . . . 451 GLY N . 50603 1
166 . 1 . 1 38 38 GLN H H 1 7.509 0.02 . . . . . . . 452 GLN H . 50603 1
167 . 1 . 1 38 38 GLN C C 13 175.363 0.00 . . . . . . . 452 GLN C . 50603 1
168 . 1 . 1 38 38 GLN CA C 13 55.343 0.09 . . . . . . . 452 GLN CA . 50603 1
169 . 1 . 1 38 38 GLN CB C 13 25.938 0.06 . . . . . . . 452 GLN CB . 50603 1
170 . 1 . 1 38 38 GLN N N 15 117.534 0.02 . . . . . . . 452 GLN N . 50603 1
171 . 1 . 1 39 39 HIS H H 1 7.686 0.03 . . . . . . . 453 HIS H . 50603 1
172 . 1 . 1 39 39 HIS CA C 13 55.390 0.00 . . . . . . . 453 HIS CA . 50603 1
173 . 1 . 1 39 39 HIS CB C 13 29.877 0.00 . . . . . . . 453 HIS CB . 50603 1
174 . 1 . 1 39 39 HIS N N 15 117.584 0.02 . . . . . . . 453 HIS N . 50603 1
175 . 1 . 1 40 40 ASN C C 13 173.920 0.00 . . . . . . . 454 ASN C . 50603 1
176 . 1 . 1 40 40 ASN CA C 13 51.702 0.00 . . . . . . . 454 ASN CA . 50603 1
177 . 1 . 1 41 41 TYR H H 1 8.029 0.03 . . . . . . . 455 TYR H . 50603 1
178 . 1 . 1 41 41 TYR C C 13 175.576 0.00 . . . . . . . 455 TYR C . 50603 1
179 . 1 . 1 41 41 TYR CA C 13 55.725 0.09 . . . . . . . 455 TYR CA . 50603 1
180 . 1 . 1 41 41 TYR CB C 13 38.561 0.05 . . . . . . . 455 TYR CB . 50603 1
181 . 1 . 1 41 41 TYR N N 15 121.797 0.04 . . . . . . . 455 TYR N . 50603 1
182 . 1 . 1 42 42 LEU H H 1 8.739 0.02 . . . . . . . 456 LEU H . 50603 1
183 . 1 . 1 42 42 LEU C C 13 176.323 0.00 . . . . . . . 456 LEU C . 50603 1
184 . 1 . 1 42 42 LEU CA C 13 53.275 0.07 . . . . . . . 456 LEU CA . 50603 1
185 . 1 . 1 42 42 LEU CB C 13 43.690 0.01 . . . . . . . 456 LEU CB . 50603 1
186 . 1 . 1 42 42 LEU N N 15 123.661 0.03 . . . . . . . 456 LEU N . 50603 1
187 . 1 . 1 43 43 CYS H H 1 8.971 0.02 . . . . . . . 457 CYS H . 50603 1
188 . 1 . 1 43 43 CYS C C 13 176.108 0.00 . . . . . . . 457 CYS C . 50603 1
189 . 1 . 1 43 43 CYS CA C 13 59.503 0.07 . . . . . . . 457 CYS CA . 50603 1
190 . 1 . 1 43 43 CYS CB C 13 29.523 0.02 . . . . . . . 457 CYS CB . 50603 1
191 . 1 . 1 43 43 CYS N N 15 130.485 0.03 . . . . . . . 457 CYS N . 50603 1
192 . 1 . 1 44 44 ALA H H 1 9.419 0.03 . . . . . . . 458 ALA H . 50603 1
193 . 1 . 1 44 44 ALA C C 13 177.462 0.00 . . . . . . . 458 ALA C . 50603 1
194 . 1 . 1 44 44 ALA CA C 13 52.820 0.10 . . . . . . . 458 ALA CA . 50603 1
195 . 1 . 1 44 44 ALA CB C 13 17.963 0.05 . . . . . . . 458 ALA CB . 50603 1
196 . 1 . 1 44 44 ALA N N 15 133.839 0.01 . . . . . . . 458 ALA N . 50603 1
197 . 1 . 1 45 45 GLY H H 1 9.776 0.03 . . . . . . . 459 GLY H . 50603 1
198 . 1 . 1 45 45 GLY C C 13 173.941 0.00 . . . . . . . 459 GLY C . 50603 1
199 . 1 . 1 45 45 GLY CA C 13 44.311 0.03 . . . . . . . 459 GLY CA . 50603 1
200 . 1 . 1 45 45 GLY N N 15 116.106 0.01 . . . . . . . 459 GLY N . 50603 1
201 . 1 . 1 46 46 ARG H H 1 8.747 0.03 . . . . . . . 460 ARG H . 50603 1
202 . 1 . 1 46 46 ARG C C 13 175.182 0.00 . . . . . . . 460 ARG C . 50603 1
203 . 1 . 1 46 46 ARG CA C 13 53.905 0.06 . . . . . . . 460 ARG CA . 50603 1
204 . 1 . 1 46 46 ARG CB C 13 28.417 0.13 . . . . . . . 460 ARG CB . 50603 1
205 . 1 . 1 46 46 ARG N N 15 127.392 0.04 . . . . . . . 460 ARG N . 50603 1
206 . 1 . 1 47 47 ASN H H 1 9.192 0.03 . . . . . . . 461 ASN H . 50603 1
207 . 1 . 1 47 47 ASN C C 13 174.521 0.00 . . . . . . . 461 ASN C . 50603 1
208 . 1 . 1 47 47 ASN CA C 13 54.727 0.09 . . . . . . . 461 ASN CA . 50603 1
209 . 1 . 1 47 47 ASN CB C 13 35.849 0.07 . . . . . . . 461 ASN CB . 50603 1
210 . 1 . 1 47 47 ASN N N 15 118.943 0.01 . . . . . . . 461 ASN N . 50603 1
211 . 1 . 1 48 48 ASP H H 1 8.097 0.03 . . . . . . . 462 ASP H . 50603 1
212 . 1 . 1 48 48 ASP C C 13 176.003 0.00 . . . . . . . 462 ASP C . 50603 1
213 . 1 . 1 48 48 ASP CA C 13 52.368 0.04 . . . . . . . 462 ASP CA . 50603 1
214 . 1 . 1 48 48 ASP CB C 13 39.950 0.06 . . . . . . . 462 ASP CB . 50603 1
215 . 1 . 1 48 48 ASP N N 15 116.909 0.02 . . . . . . . 462 ASP N . 50603 1
216 . 1 . 1 49 49 CYS H H 1 8.328 0.03 . . . . . . . 463 CYS H . 50603 1
217 . 1 . 1 49 49 CYS C C 13 175.685 0.00 . . . . . . . 463 CYS C . 50603 1
218 . 1 . 1 49 49 CYS CA C 13 60.919 0.08 . . . . . . . 463 CYS CA . 50603 1
219 . 1 . 1 49 49 CYS CB C 13 29.110 0.02 . . . . . . . 463 CYS CB . 50603 1
220 . 1 . 1 49 49 CYS N N 15 124.516 0.06 . . . . . . . 463 CYS N . 50603 1
221 . 1 . 1 50 50 ILE H H 1 8.249 0.03 . . . . . . . 464 ILE H . 50603 1
222 . 1 . 1 50 50 ILE C C 13 174.981 0.00 . . . . . . . 464 ILE C . 50603 1
223 . 1 . 1 50 50 ILE CA C 13 60.782 0.04 . . . . . . . 464 ILE CA . 50603 1
224 . 1 . 1 50 50 ILE CB C 13 36.685 0.01 . . . . . . . 464 ILE CB . 50603 1
225 . 1 . 1 50 50 ILE N N 15 123.313 0.04 . . . . . . . 464 ILE N . 50603 1
226 . 1 . 1 51 51 ILE H H 1 8.490 0.03 . . . . . . . 465 ILE H . 50603 1
227 . 1 . 1 51 51 ILE C C 13 172.948 0.00 . . . . . . . 465 ILE C . 50603 1
228 . 1 . 1 51 51 ILE CA C 13 57.139 0.02 . . . . . . . 465 ILE CA . 50603 1
229 . 1 . 1 51 51 ILE CB C 13 34.180 0.00 . . . . . . . 465 ILE CB . 50603 1
230 . 1 . 1 51 51 ILE N N 15 128.481 0.03 . . . . . . . 465 ILE N . 50603 1
231 . 1 . 1 52 52 ASP H H 1 6.501 0.03 . . . . . . . 466 ASP H . 50603 1
232 . 1 . 1 52 52 ASP C C 13 177.038 0.00 . . . . . . . 466 ASP C . 50603 1
233 . 1 . 1 52 52 ASP CA C 13 51.541 0.03 . . . . . . . 466 ASP CA . 50603 1
234 . 1 . 1 52 52 ASP CB C 13 40.751 0.02 . . . . . . . 466 ASP CB . 50603 1
235 . 1 . 1 52 52 ASP N N 15 125.264 0.02 . . . . . . . 466 ASP N . 50603 1
236 . 1 . 1 53 53 LYS H H 1 8.448 0.03 . . . . . . . 467 LYS H . 50603 1
237 . 1 . 1 53 53 LYS C C 13 176.758 0.00 . . . . . . . 467 LYS C . 50603 1
238 . 1 . 1 53 53 LYS CA C 13 59.902 0.04 . . . . . . . 467 LYS CA . 50603 1
239 . 1 . 1 53 53 LYS CB C 13 31.524 0.00 . . . . . . . 467 LYS CB . 50603 1
240 . 1 . 1 53 53 LYS N N 15 119.168 0.03 . . . . . . . 467 LYS N . 50603 1
241 . 1 . 1 54 54 ILE H H 1 7.453 0.03 . . . . . . . 468 ILE H . 50603 1
242 . 1 . 1 54 54 ILE C C 13 178.729 0.00 . . . . . . . 468 ILE C . 50603 1
243 . 1 . 1 54 54 ILE CA C 13 61.917 0.07 . . . . . . . 468 ILE CA . 50603 1
244 . 1 . 1 54 54 ILE CB C 13 37.371 0.00 . . . . . . . 468 ILE CB . 50603 1
245 . 1 . 1 54 54 ILE N N 15 115.367 0.02 . . . . . . . 468 ILE N . 50603 1
246 . 1 . 1 55 55 ARG H H 1 8.467 0.02 . . . . . . . 469 ARG H . 50603 1
247 . 1 . 1 55 55 ARG C C 13 178.673 0.00 . . . . . . . 469 ARG C . 50603 1
248 . 1 . 1 55 55 ARG CA C 13 56.930 0.03 . . . . . . . 469 ARG CA . 50603 1
249 . 1 . 1 55 55 ARG CB C 13 30.095 0.00 . . . . . . . 469 ARG CB . 50603 1
250 . 1 . 1 55 55 ARG N N 15 118.968 0.03 . . . . . . . 469 ARG N . 50603 1
251 . 1 . 1 56 56 ARG H H 1 8.189 0.04 . . . . . . . 470 ARG H . 50603 1
252 . 1 . 1 56 56 ARG C C 13 175.436 0.00 . . . . . . . 470 ARG C . 50603 1
253 . 1 . 1 56 56 ARG CA C 13 58.698 0.07 . . . . . . . 470 ARG CA . 50603 1
254 . 1 . 1 56 56 ARG CB C 13 27.426 0.07 . . . . . . . 470 ARG CB . 50603 1
255 . 1 . 1 56 56 ARG N N 15 119.031 0.01 . . . . . . . 470 ARG N . 50603 1
256 . 1 . 1 57 57 LYS H H 1 7.649 0.03 . . . . . . . 471 LYS H . 50603 1
257 . 1 . 1 57 57 LYS C C 13 177.092 0.00 . . . . . . . 471 LYS C . 50603 1
258 . 1 . 1 57 57 LYS CA C 13 56.855 0.06 . . . . . . . 471 LYS CA . 50603 1
259 . 1 . 1 57 57 LYS CB C 13 31.269 0.04 . . . . . . . 471 LYS CB . 50603 1
260 . 1 . 1 57 57 LYS N N 15 116.824 0.02 . . . . . . . 471 LYS N . 50603 1
261 . 1 . 1 58 58 ASN H H 1 7.902 0.03 . . . . . . . 472 ASN H . 50603 1
262 . 1 . 1 58 58 ASN C C 13 175.564 0.00 . . . . . . . 472 ASN C . 50603 1
263 . 1 . 1 58 58 ASN CA C 13 54.687 0.09 . . . . . . . 472 ASN CA . 50603 1
264 . 1 . 1 58 58 ASN CB C 13 37.686 0.00 . . . . . . . 472 ASN CB . 50603 1
265 . 1 . 1 58 58 ASN N N 15 116.714 0.03 . . . . . . . 472 ASN N . 50603 1
266 . 1 . 1 59 59 CYS H H 1 6.700 0.03 . . . . . . . 473 CYS H . 50603 1
267 . 1 . 1 59 59 CYS CA C 13 56.864 0.05 . . . . . . . 473 CYS CA . 50603 1
268 . 1 . 1 59 59 CYS CB C 13 30.036 0.00 . . . . . . . 473 CYS CB . 50603 1
269 . 1 . 1 59 59 CYS N N 15 116.548 0.06 . . . . . . . 473 CYS N . 50603 1
270 . 1 . 1 60 60 PRO C C 13 177.630 0.00 . . . . . . . 474 PRO C . 50603 1
271 . 1 . 1 60 60 PRO CA C 13 64.114 0.16 . . . . . . . 474 PRO CA . 50603 1
272 . 1 . 1 61 61 ALA H H 1 7.905 0.03 . . . . . . . 475 ALA H . 50603 1
273 . 1 . 1 61 61 ALA C C 13 180.643 0.00 . . . . . . . 475 ALA C . 50603 1
274 . 1 . 1 61 61 ALA CA C 13 55.634 0.06 . . . . . . . 475 ALA CA . 50603 1
275 . 1 . 1 61 61 ALA CB C 13 18.602 0.06 . . . . . . . 475 ALA CB . 50603 1
276 . 1 . 1 61 61 ALA N N 15 120.423 0.02 . . . . . . . 475 ALA N . 50603 1
277 . 1 . 1 62 62 CYS H H 1 9.644 0.03 . . . . . . . 476 CYS H . 50603 1
278 . 1 . 1 62 62 CYS C C 13 178.278 0.00 . . . . . . . 476 CYS C . 50603 1
279 . 1 . 1 62 62 CYS CA C 13 64.492 0.06 . . . . . . . 476 CYS CA . 50603 1
280 . 1 . 1 62 62 CYS CB C 13 29.028 0.00 . . . . . . . 476 CYS CB . 50603 1
281 . 1 . 1 62 62 CYS N N 15 123.383 0.02 . . . . . . . 476 CYS N . 50603 1
282 . 1 . 1 63 63 ARG H H 1 8.425 0.03 . . . . . . . 477 ARG H . 50603 1
283 . 1 . 1 63 63 ARG C C 13 177.900 0.00 . . . . . . . 477 ARG C . 50603 1
284 . 1 . 1 63 63 ARG CA C 13 59.636 0.05 . . . . . . . 477 ARG CA . 50603 1
285 . 1 . 1 63 63 ARG CB C 13 29.580 0.00 . . . . . . . 477 ARG CB . 50603 1
286 . 1 . 1 63 63 ARG N N 15 122.524 0.03 . . . . . . . 477 ARG N . 50603 1
287 . 1 . 1 64 64 TYR H H 1 9.274 0.03 . . . . . . . 478 TYR H . 50603 1
288 . 1 . 1 64 64 TYR C C 13 177.024 0.00 . . . . . . . 478 TYR C . 50603 1
289 . 1 . 1 64 64 TYR CA C 13 61.412 0.13 . . . . . . . 478 TYR CA . 50603 1
290 . 1 . 1 64 64 TYR CB C 13 37.461 0.00 . . . . . . . 478 TYR CB . 50603 1
291 . 1 . 1 64 64 TYR N N 15 121.474 0.04 . . . . . . . 478 TYR N . 50603 1
292 . 1 . 1 65 65 ARG H H 1 8.295 0.02 . . . . . . . 479 ARG H . 50603 1
293 . 1 . 1 65 65 ARG C C 13 178.924 0.00 . . . . . . . 479 ARG C . 50603 1
294 . 1 . 1 65 65 ARG CA C 13 59.344 0.12 . . . . . . . 479 ARG CA . 50603 1
295 . 1 . 1 65 65 ARG CB C 13 28.657 0.09 . . . . . . . 479 ARG CB . 50603 1
296 . 1 . 1 65 65 ARG N N 15 119.354 0.06 . . . . . . . 479 ARG N . 50603 1
297 . 1 . 1 66 66 LYS H H 1 8.056 0.04 . . . . . . . 480 LYS H . 50603 1
298 . 1 . 1 66 66 LYS C C 13 179.402 0.00 . . . . . . . 480 LYS C . 50603 1
299 . 1 . 1 66 66 LYS CA C 13 59.136 0.10 . . . . . . . 480 LYS CA . 50603 1
300 . 1 . 1 66 66 LYS CB C 13 31.461 0.00 . . . . . . . 480 LYS CB . 50603 1
301 . 1 . 1 66 66 LYS N N 15 120.304 0.02 . . . . . . . 480 LYS N . 50603 1
302 . 1 . 1 67 67 CYS H H 1 8.405 0.03 . . . . . . . 481 CYS H . 50603 1
303 . 1 . 1 67 67 CYS C C 13 176.984 0.00 . . . . . . . 481 CYS C . 50603 1
304 . 1 . 1 67 67 CYS CA C 13 63.296 0.06 . . . . . . . 481 CYS CA . 50603 1
305 . 1 . 1 67 67 CYS CB C 13 27.815 0.00 . . . . . . . 481 CYS CB . 50603 1
306 . 1 . 1 67 67 CYS N N 15 119.859 0.08 . . . . . . . 481 CYS N . 50603 1
307 . 1 . 1 68 68 LEU H H 1 7.899 0.02 . . . . . . . 482 LEU H . 50603 1
308 . 1 . 1 68 68 LEU C C 13 182.328 0.00 . . . . . . . 482 LEU C . 50603 1
309 . 1 . 1 68 68 LEU CA C 13 57.127 0.02 . . . . . . . 482 LEU CA . 50603 1
310 . 1 . 1 68 68 LEU CB C 13 40.291 0.00 . . . . . . . 482 LEU CB . 50603 1
311 . 1 . 1 68 68 LEU N N 15 119.231 0.04 . . . . . . . 482 LEU N . 50603 1
312 . 1 . 1 69 69 GLN H H 1 8.782 0.04 . . . . . . . 483 GLN H . 50603 1
313 . 1 . 1 69 69 GLN C C 13 177.833 0.00 . . . . . . . 483 GLN C . 50603 1
314 . 1 . 1 69 69 GLN CA C 13 58.167 0.03 . . . . . . . 483 GLN CA . 50603 1
315 . 1 . 1 69 69 GLN CB C 13 27.605 0.06 . . . . . . . 483 GLN CB . 50603 1
316 . 1 . 1 69 69 GLN N N 15 122.556 0.03 . . . . . . . 483 GLN N . 50603 1
317 . 1 . 1 70 70 ALA H H 1 7.957 0.03 . . . . . . . 484 ALA H . 50603 1
318 . 1 . 1 70 70 ALA C C 13 176.735 0.00 . . . . . . . 484 ALA C . 50603 1
319 . 1 . 1 70 70 ALA CA C 13 52.454 0.06 . . . . . . . 484 ALA CA . 50603 1
320 . 1 . 1 70 70 ALA CB C 13 17.612 0.00 . . . . . . . 484 ALA CB . 50603 1
321 . 1 . 1 70 70 ALA N N 15 119.791 0.01 . . . . . . . 484 ALA N . 50603 1
322 . 1 . 1 71 71 GLY H H 1 7.412 0.03 . . . . . . . 485 GLY H . 50603 1
323 . 1 . 1 71 71 GLY C C 13 175.134 0.00 . . . . . . . 485 GLY C . 50603 1
324 . 1 . 1 71 71 GLY CA C 13 43.886 0.03 . . . . . . . 485 GLY CA . 50603 1
325 . 1 . 1 71 71 GLY N N 15 102.375 0.03 . . . . . . . 485 GLY N . 50603 1
326 . 1 . 1 72 72 MET H H 1 7.586 0.03 . . . . . . . 486 MET H . 50603 1
327 . 1 . 1 72 72 MET C C 13 175.834 0.00 . . . . . . . 486 MET C . 50603 1
328 . 1 . 1 72 72 MET CA C 13 57.258 0.06 . . . . . . . 486 MET CA . 50603 1
329 . 1 . 1 72 72 MET CB C 13 31.554 0.04 . . . . . . . 486 MET CB . 50603 1
330 . 1 . 1 72 72 MET N N 15 120.708 0.03 . . . . . . . 486 MET N . 50603 1
331 . 1 . 1 73 73 ASN H H 1 8.507 0.02 . . . . . . . 487 ASN H . 50603 1
332 . 1 . 1 73 73 ASN C C 13 174.347 0.00 . . . . . . . 487 ASN C . 50603 1
333 . 1 . 1 73 73 ASN CA C 13 52.894 0.11 . . . . . . . 487 ASN CA . 50603 1
334 . 1 . 1 73 73 ASN CB C 13 40.968 0.00 . . . . . . . 487 ASN CB . 50603 1
335 . 1 . 1 73 73 ASN N N 15 118.392 0.03 . . . . . . . 487 ASN N . 50603 1
336 . 1 . 1 74 74 LEU H H 1 9.046 0.03 . . . . . . . 488 LEU H . 50603 1
337 . 1 . 1 74 74 LEU C C 13 177.439 0.00 . . . . . . . 488 LEU C . 50603 1
338 . 1 . 1 74 74 LEU CA C 13 56.151 0.00 . . . . . . . 488 LEU CA . 50603 1
339 . 1 . 1 74 74 LEU CB C 13 41.460 0.20 . . . . . . . 488 LEU CB . 50603 1
340 . 1 . 1 74 74 LEU N N 15 125.603 0.02 . . . . . . . 488 LEU N . 50603 1
341 . 1 . 1 75 75 GLU H H 1 8.402 0.03 . . . . . . . 489 GLU H . 50603 1
342 . 1 . 1 75 75 GLU C C 13 176.254 0.00 . . . . . . . 489 GLU C . 50603 1
343 . 1 . 1 75 75 GLU CA C 13 56.199 0.03 . . . . . . . 489 GLU CA . 50603 1
344 . 1 . 1 75 75 GLU CB C 13 28.965 0.02 . . . . . . . 489 GLU CB . 50603 1
345 . 1 . 1 75 75 GLU N N 15 120.190 0.05 . . . . . . . 489 GLU N . 50603 1
346 . 1 . 1 76 76 ALA H H 1 8.066 0.02 . . . . . . . 490 ALA H . 50603 1
347 . 1 . 1 76 76 ALA C C 13 177.589 0.00 . . . . . . . 490 ALA C . 50603 1
348 . 1 . 1 76 76 ALA CA C 13 52.312 0.04 . . . . . . . 490 ALA CA . 50603 1
349 . 1 . 1 76 76 ALA CB C 13 17.672 0.06 . . . . . . . 490 ALA CB . 50603 1
350 . 1 . 1 76 76 ALA N N 15 124.747 0.03 . . . . . . . 490 ALA N . 50603 1
351 . 1 . 1 77 77 ARG H H 1 8.373 0.03 . . . . . . . 491 ARG H . 50603 1
352 . 1 . 1 77 77 ARG C C 13 176.595 0.00 . . . . . . . 491 ARG C . 50603 1
353 . 1 . 1 77 77 ARG CA C 13 55.847 0.03 . . . . . . . 491 ARG CA . 50603 1
354 . 1 . 1 77 77 ARG CB C 13 29.558 0.00 . . . . . . . 491 ARG CB . 50603 1
355 . 1 . 1 77 77 ARG N N 15 120.424 0.03 . . . . . . . 491 ARG N . 50603 1
356 . 1 . 1 78 78 LYS H H 1 8.340 0.01 . . . . . . . 492 LYS H . 50603 1
357 . 1 . 1 78 78 LYS C C 13 176.849 0.00 . . . . . . . 492 LYS C . 50603 1
358 . 1 . 1 78 78 LYS CA C 13 55.665 0.21 . . . . . . . 492 LYS CA . 50603 1
359 . 1 . 1 78 78 LYS N N 15 123.179 0.06 . . . . . . . 492 LYS N . 50603 1
360 . 1 . 1 79 79 THR H H 1 8.076 0.01 . . . . . . . 493 THR H . 50603 1
361 . 1 . 1 79 79 THR C C 13 174.339 0.00 . . . . . . . 493 THR C . 50603 1
362 . 1 . 1 79 79 THR CA C 13 61.259 0.07 . . . . . . . 493 THR CA . 50603 1
363 . 1 . 1 79 79 THR CB C 13 69.441 0.00 . . . . . . . 493 THR CB . 50603 1
364 . 1 . 1 79 79 THR N N 15 116.302 0.08 . . . . . . . 493 THR N . 50603 1
365 . 1 . 1 80 80 LYS H H 1 8.330 0.01 . . . . . . . 494 LYS H . 50603 1
366 . 1 . 1 80 80 LYS C C 13 176.324 0.00 . . . . . . . 494 LYS C . 50603 1
367 . 1 . 1 80 80 LYS CA C 13 55.794 0.09 . . . . . . . 494 LYS CA . 50603 1
368 . 1 . 1 80 80 LYS CB C 13 32.175 0.00 . . . . . . . 494 LYS CB . 50603 1
369 . 1 . 1 80 80 LYS N N 15 124.875 0.06 . . . . . . . 494 LYS N . 50603 1
370 . 1 . 1 81 81 LYS H H 1 8.360 0.01 . . . . . . . 495 LYS H . 50603 1
371 . 1 . 1 81 81 LYS C C 13 176.414 0.00 . . . . . . . 495 LYS C . 50603 1
372 . 1 . 1 81 81 LYS CA C 13 55.715 0.07 . . . . . . . 495 LYS CA . 50603 1
373 . 1 . 1 81 81 LYS CB C 13 31.912 0.00 . . . . . . . 495 LYS CB . 50603 1
374 . 1 . 1 81 81 LYS N N 15 124.433 0.10 . . . . . . . 495 LYS N . 50603 1
375 . 1 . 1 82 82 LYS H H 1 8.286 0.03 . . . . . . . 496 LYS H . 50603 1
376 . 1 . 1 82 82 LYS C C 13 176.361 0.00 . . . . . . . 496 LYS C . 50603 1
377 . 1 . 1 82 82 LYS CA C 13 55.723 0.09 . . . . . . . 496 LYS CA . 50603 1
378 . 1 . 1 82 82 LYS CB C 13 31.984 0.15 . . . . . . . 496 LYS CB . 50603 1
379 . 1 . 1 82 82 LYS N N 15 124.068 0.02 . . . . . . . 496 LYS N . 50603 1
380 . 1 . 1 83 83 ILE H H 1 8.210 0.02 . . . . . . . 497 ILE H . 50603 1
381 . 1 . 1 83 83 ILE C C 13 176.274 0.00 . . . . . . . 497 ILE C . 50603 1
382 . 1 . 1 83 83 ILE CA C 13 60.432 0.10 . . . . . . . 497 ILE CA . 50603 1
383 . 1 . 1 83 83 ILE CB C 13 37.862 0.00 . . . . . . . 497 ILE CB . 50603 1
384 . 1 . 1 83 83 ILE N N 15 124.043 0.02 . . . . . . . 497 ILE N . 50603 1
385 . 1 . 1 84 84 LYS H H 1 8.375 0.02 . . . . . . . 498 LYS H . 50603 1
386 . 1 . 1 84 84 LYS C C 13 176.892 0.00 . . . . . . . 498 LYS C . 50603 1
387 . 1 . 1 84 84 LYS CA C 13 56.438 0.11 . . . . . . . 498 LYS CA . 50603 1
388 . 1 . 1 84 84 LYS CB C 13 31.989 0.00 . . . . . . . 498 LYS CB . 50603 1
389 . 1 . 1 84 84 LYS N N 15 126.523 0.03 . . . . . . . 498 LYS N . 50603 1
390 . 1 . 1 85 85 GLY H H 1 8.376 0.01 . . . . . . . 499 GLY H . 50603 1
391 . 1 . 1 85 85 GLY C C 13 173.759 0.00 . . . . . . . 499 GLY C . 50603 1
392 . 1 . 1 85 85 GLY CA C 13 44.625 0.06 . . . . . . . 499 GLY CA . 50603 1
393 . 1 . 1 85 85 GLY N N 15 111.504 0.04 . . . . . . . 499 GLY N . 50603 1
394 . 1 . 1 86 86 ILE H H 1 7.927 0.02 . . . . . . . 500 ILE H . 50603 1
395 . 1 . 1 86 86 ILE C C 13 175.629 0.00 . . . . . . . 500 ILE C . 50603 1
396 . 1 . 1 86 86 ILE CA C 13 60.739 0.02 . . . . . . . 500 ILE CA . 50603 1
397 . 1 . 1 86 86 ILE CB C 13 37.765 0.00 . . . . . . . 500 ILE CB . 50603 1
398 . 1 . 1 86 86 ILE N N 15 120.803 0.01 . . . . . . . 500 ILE N . 50603 1
399 . 1 . 1 87 87 GLN H H 1 7.982 0.02 . . . . . . . 501 GLN H . 50603 1
400 . 1 . 1 87 87 GLN CA C 13 57.012 0.00 . . . . . . . 501 GLN CA . 50603 1
401 . 1 . 1 87 87 GLN CB C 13 29.416 0.00 . . . . . . . 501 GLN CB . 50603 1
402 . 1 . 1 87 87 GLN N N 15 129.400 0.01 . . . . . . . 501 GLN N . 50603 1
stop_
save_