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 50324
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name DEPTOR_PDZ_backbone_assignment
_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
2 '3D HNCO' . . . 50324 1
3 '3D HN(CA)CO' . . . 50324 1
4 '3D CBCA(CO)NH' . . . 50324 1
5 '3D HNCACB' . . . 50324 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
'spectrometer error' 'all 13C' 13 2 . 50324 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
3 $software_3 . . 50324 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 4 4 MET C C 13 174.314 0.000 . 1 . . . . . 4 M CO . 50324 1
2 . 1 . 1 4 4 MET CA C 13 54.058 0.000 . 1 . . . . . 4 M CA . 50324 1
3 . 1 . 1 4 4 MET CB C 13 32.283 0.000 . 1 . . . . . 4 M CB . 50324 1
4 . 1 . 1 5 5 ALA H H 1 8.084 0.000 . 1 . . . . . 324 A HN . 50324 1
5 . 1 . 1 5 5 ALA C C 13 174.631 0.000 . 1 . . . . . 324 A CO . 50324 1
6 . 1 . 1 5 5 ALA CA C 13 50.033 0.000 . 1 . . . . . 324 A CA . 50324 1
7 . 1 . 1 5 5 ALA CB C 13 17.458 0.000 . 1 . . . . . 324 A CB . 50324 1
8 . 1 . 1 5 5 ALA N N 15 126.523 0.000 . 1 . . . . . 324 A N . 50324 1
9 . 1 . 1 6 6 PRO C C 13 175.035 0.000 . 1 . . . . . 325 P CO . 50324 1
10 . 1 . 1 6 6 PRO CA C 13 62.058 0.000 . 1 . . . . . 325 P CA . 50324 1
11 . 1 . 1 6 6 PRO CB C 13 30.958 0.000 . 1 . . . . . 325 P CB . 50324 1
12 . 1 . 1 7 7 TYR H H 1 7.787 0.000 . 1 . . . . . 326 Y HN . 50324 1
13 . 1 . 1 7 7 TYR C C 13 174.647 0.069 . 1 . . . . . 326 Y CO . 50324 1
14 . 1 . 1 7 7 TYR CA C 13 56.046 0.012 . 1 . . . . . 326 Y CA . 50324 1
15 . 1 . 1 7 7 TYR CB C 13 40.046 0.037 . 1 . . . . . 326 Y CB . 50324 1
16 . 1 . 1 7 7 TYR N N 15 117.487 0.000 . 1 . . . . . 326 Y N . 50324 1
17 . 1 . 1 8 8 ALA H H 1 8.637 0.000 . 1 . . . . . 327 A HN . 50324 1
18 . 1 . 1 8 8 ALA C C 13 175.852 0.008 . 1 . . . . . 327 A CO . 50324 1
19 . 1 . 1 8 8 ALA CA C 13 50.483 0.100 . 1 . . . . . 327 A CA . 50324 1
20 . 1 . 1 8 8 ALA CB C 13 20.320 0.012 . 1 . . . . . 327 A CB . 50324 1
21 . 1 . 1 8 8 ALA N N 15 124.027 0.000 . 1 . . . . . 327 A N . 50324 1
22 . 1 . 1 9 9 ARG H H 1 8.329 0.000 . 1 . . . . . 328 R HN . 50324 1
23 . 1 . 1 9 9 ARG C C 13 175.432 0.069 . 1 . . . . . 328 R CO . 50324 1
24 . 1 . 1 9 9 ARG CA C 13 54.083 0.125 . 1 . . . . . 328 R CA . 50324 1
25 . 1 . 1 9 9 ARG CB C 13 31.308 0.025 . 1 . . . . . 328 R CB . 50324 1
26 . 1 . 1 9 9 ARG N N 15 121.115 0.000 . 1 . . . . . 328 R N . 50324 1
27 . 1 . 1 10 10 LYS H H 1 8.218 0.000 . 1 . . . . . 329 K HN . 50324 1
28 . 1 . 1 10 10 LYS C C 13 173.133 0.026 . 1 . . . . . 329 K CO . 50324 1
29 . 1 . 1 10 10 LYS CA C 13 54.346 0.012 . 1 . . . . . 329 K CA . 50324 1
30 . 1 . 1 10 10 LYS CB C 13 35.908 0.025 . 1 . . . . . 329 K CB . 50324 1
31 . 1 . 1 10 10 LYS N N 15 122.619 0.000 . 1 . . . . . 329 K N . 50324 1
32 . 1 . 1 11 11 THR H H 1 8.046 0.000 . 1 . . . . . 330 T HN . 50324 1
33 . 1 . 1 11 11 THR C C 13 172.641 0.026 . 1 . . . . . 330 T CO . 50324 1
34 . 1 . 1 11 11 THR CA C 13 60.308 0.025 . 1 . . . . . 330 T CA . 50324 1
35 . 1 . 1 11 11 THR CB C 13 69.233 0.125 . 1 . . . . . 330 T CB . 50324 1
36 . 1 . 1 11 11 THR N N 15 116.648 0.000 . 1 . . . . . 330 T N . 50324 1
37 . 1 . 1 12 12 PHE H H 1 8.820 0.000 . 1 . . . . . 331 F HN . 50324 1
38 . 1 . 1 12 12 PHE C C 13 173.665 0.030 . 1 . . . . . 331 F CO . 50324 1
39 . 1 . 1 12 12 PHE CA C 13 53.258 0.000 . 1 . . . . . 331 F CA . 50324 1
40 . 1 . 1 12 12 PHE CB C 13 41.658 0.025 . 1 . . . . . 331 F CB . 50324 1
41 . 1 . 1 12 12 PHE N N 15 124.814 0.000 . 1 . . . . . 331 F N . 50324 1
42 . 1 . 1 13 13 THR H H 1 8.568 0.000 . 1 . . . . . 332 T HN . 50324 1
43 . 1 . 1 13 13 THR C C 13 173.438 0.048 . 1 . . . . . 332 T CO . 50324 1
44 . 1 . 1 13 13 THR CA C 13 61.471 0.012 . 1 . . . . . 332 T CA . 50324 1
45 . 1 . 1 13 13 THR CB C 13 68.558 0.025 . 1 . . . . . 332 T CB . 50324 1
46 . 1 . 1 13 13 THR N N 15 119.785 0.000 . 1 . . . . . 332 T N . 50324 1
47 . 1 . 1 14 14 ILE H H 1 9.190 0.000 . 1 . . . . . 333 I HN . 50324 1
48 . 1 . 1 14 14 ILE C C 13 173.385 0.026 . 1 . . . . . 333 I CO . 50324 1
49 . 1 . 1 14 14 ILE CA C 13 59.645 0.013 . 1 . . . . . 333 I CA . 50324 1
50 . 1 . 1 14 14 ILE CB C 13 39.821 0.062 . 1 . . . . . 333 I CB . 50324 1
51 . 1 . 1 14 14 ILE N N 15 126.158 0.000 . 1 . . . . . 333 I N . 50324 1
52 . 1 . 1 15 15 VAL H H 1 8.655 0.000 . 1 . . . . . 334 V HN . 50324 1
53 . 1 . 1 15 15 VAL C C 13 175.138 0.045 . 1 . . . . . 334 V CO . 50324 1
54 . 1 . 1 15 15 VAL CA C 13 61.733 0.025 . 1 . . . . . 334 V CA . 50324 1
55 . 1 . 1 15 15 VAL CB C 13 30.695 0.113 . 1 . . . . . 334 V CB . 50324 1
56 . 1 . 1 15 15 VAL N N 15 130.136 0.000 . 1 . . . . . 334 V N . 50324 1
57 . 1 . 1 16 16 GLY H H 1 7.969 0.000 . 1 . . . . . 335 G HN . 50324 1
58 . 1 . 1 16 16 GLY C C 13 171.867 0.014 . 1 . . . . . 335 G CO . 50324 1
59 . 1 . 1 16 16 GLY CA C 13 43.820 0.013 . 1 . . . . . 335 G CA . 50324 1
60 . 1 . 1 16 16 GLY N N 15 114.929 0.000 . 1 . . . . . 335 G N . 50324 1
61 . 1 . 1 17 17 ASP H H 1 7.773 0.000 . 1 . . . . . 336 D HN . 50324 1
62 . 1 . 1 17 17 ASP C C 13 175.752 0.049 . 1 . . . . . 336 D CO . 50324 1
63 . 1 . 1 17 17 ASP CA C 13 51.171 0.037 . 1 . . . . . 336 D CA . 50324 1
64 . 1 . 1 17 17 ASP CB C 13 40.958 0.025 . 1 . . . . . 336 D CB . 50324 1
65 . 1 . 1 17 17 ASP N N 15 120.549 0.000 . 1 . . . . . 336 D N . 50324 1
66 . 1 . 1 18 18 ALA H H 1 7.951 0.000 . 1 . . . . . 337 A HN . 50324 1
67 . 1 . 1 18 18 ALA C C 13 177.988 0.047 . 1 . . . . . 337 A CO . 50324 1
68 . 1 . 1 18 18 ALA CA C 13 53.870 0.013 . 1 . . . . . 337 A CA . 50324 1
69 . 1 . 1 18 18 ALA CB C 13 17.908 0.025 . 1 . . . . . 337 A CB . 50324 1
70 . 1 . 1 18 18 ALA N N 15 119.031 0.000 . 1 . . . . . 337 A N . 50324 1
71 . 1 . 1 19 19 VAL H H 1 7.798 0.000 . 1 . . . . . 338 V HN . 50324 1
72 . 1 . 1 19 19 VAL C C 13 175.386 0.023 . 1 . . . . . 338 V CO . 50324 1
73 . 1 . 1 19 19 VAL CA C 13 61.945 0.013 . 1 . . . . . 338 V CA . 50324 1
74 . 1 . 1 19 19 VAL CB C 13 31.533 0.000 . 1 . . . . . 338 V CB . 50324 1
75 . 1 . 1 19 19 VAL N N 15 114.772 0.000 . 1 . . . . . 338 V N . 50324 1
76 . 1 . 1 20 20 GLY H H 1 7.514 0.000 . 1 . . . . . 339 G HN . 50324 1
77 . 1 . 1 20 20 GLY C C 13 170.751 0.017 . 1 . . . . . 339 G CO . 50324 1
78 . 1 . 1 20 20 GLY CA C 13 44.958 0.050 . 1 . . . . . 339 G CA . 50324 1
79 . 1 . 1 20 20 GLY N N 15 109.441 0.000 . 1 . . . . . 339 G N . 50324 1
80 . 1 . 1 21 21 TRP H H 1 8.392 0.000 . 1 . . . . . 340 W HN . 50324 1
81 . 1 . 1 21 21 TRP C C 13 175.498 0.000 . 1 . . . . . 340 W CO . 50324 1
82 . 1 . 1 21 21 TRP CA C 13 58.796 0.012 . 1 . . . . . 340 W CA . 50324 1
83 . 1 . 1 21 21 TRP CB C 13 31.408 0.000 . 1 . . . . . 340 W CB . 50324 1
84 . 1 . 1 21 21 TRP N N 15 120.396 0.000 . 1 . . . . . 340 W N . 50324 1
85 . 1 . 1 22 22 GLY H H 1 8.397 0.000 . 1 . . . . . 341 G HN . 50324 1
86 . 1 . 1 22 22 GLY C C 13 175.055 0.004 . 1 . . . . . 341 G CO . 50324 1
87 . 1 . 1 22 22 GLY CA C 13 46.533 0.050 . 1 . . . . . 341 G CA . 50324 1
88 . 1 . 1 22 22 GLY N N 15 105.895 0.000 . 1 . . . . . 341 G N . 50324 1
89 . 1 . 1 23 23 PHE H H 1 7.121 0.000 . 1 . . . . . 342 F HN . 50324 1
90 . 1 . 1 23 23 PHE C C 13 171.851 0.004 . 1 . . . . . 342 F CO . 50324 1
91 . 1 . 1 23 23 PHE CA C 13 55.583 0.050 . 1 . . . . . 342 F CA . 50324 1
92 . 1 . 1 23 23 PHE CB C 13 41.370 0.063 . 1 . . . . . 342 F CB . 50324 1
93 . 1 . 1 23 23 PHE N N 15 114.483 0.000 . 1 . . . . . 342 F N . 50324 1
94 . 1 . 1 24 24 VAL H H 1 8.283 0.000 . 1 . . . . . 343 V HN . 50324 1
95 . 1 . 1 24 24 VAL C C 13 174.214 0.034 . 1 . . . . . 343 V CO . 50324 1
96 . 1 . 1 24 24 VAL CA C 13 60.408 0.000 . 1 . . . . . 343 V CA . 50324 1
97 . 1 . 1 24 24 VAL CB C 13 35.208 0.050 . 1 . . . . . 343 V CB . 50324 1
98 . 1 . 1 24 24 VAL N N 15 120.043 0.000 . 1 . . . . . 343 V N . 50324 1
99 . 1 . 1 25 25 VAL H H 1 8.969 0.000 . 1 . . . . . 344 V HN . 50324 1
100 . 1 . 1 25 25 VAL C C 13 174.411 0.003 . 1 . . . . . 344 V CO . 50324 1
101 . 1 . 1 25 25 VAL CA C 13 59.908 0.025 . 1 . . . . . 344 V CA . 50324 1
102 . 1 . 1 25 25 VAL CB C 13 32.671 0.112 . 1 . . . . . 344 V CB . 50324 1
103 . 1 . 1 25 25 VAL N N 15 127.718 0.000 . 1 . . . . . 344 V N . 50324 1
104 . 1 . 1 26 26 ARG H H 1 8.352 0.000 . 1 . . . . . 345 R HN . 50324 1
105 . 1 . 1 26 26 ARG C C 13 172.940 0.044 . 1 . . . . . 345 R CO . 50324 1
106 . 1 . 1 26 26 ARG CA C 13 51.833 0.000 . 1 . . . . . 345 R CA . 50324 1
107 . 1 . 1 26 26 ARG CB C 13 34.120 0.163 . 1 . . . . . 345 R CB . 50324 1
108 . 1 . 1 26 26 ARG N N 15 125.253 0.000 . 1 . . . . . 345 R N . 50324 1
109 . 1 . 1 27 27 GLY H H 1 7.851 0.000 . 1 . . . . . 346 G HN . 50324 1
110 . 1 . 1 27 27 GLY C C 13 171.143 0.010 . 1 . . . . . 346 G CO . 50324 1
111 . 1 . 1 27 27 GLY CA C 13 44.208 0.025 . 1 . . . . . 346 G CA . 50324 1
112 . 1 . 1 27 27 GLY N N 15 106.637 0.000 . 1 . . . . . 346 G N . 50324 1
113 . 1 . 1 28 28 SER H H 1 7.435 0.000 . 1 . . . . . 347 S HN . 50324 1
114 . 1 . 1 28 28 SER C C 13 172.839 0.005 . 1 . . . . . 347 S CO . 50324 1
115 . 1 . 1 28 28 SER CA C 13 57.020 0.138 . 1 . . . . . 347 S CA . 50324 1
116 . 1 . 1 28 28 SER CB C 13 63.370 0.013 . 1 . . . . . 347 S CB . 50324 1
117 . 1 . 1 28 28 SER N N 15 108.707 0.000 . 1 . . . . . 347 S N . 50324 1
118 . 1 . 1 29 29 LYS H H 1 7.728 0.000 . 1 . . . . . 348 K HN . 50324 1
119 . 1 . 1 29 29 LYS C C 13 172.282 0.000 . 1 . . . . . 348 K CO . 50324 1
120 . 1 . 1 29 29 LYS CA C 13 56.883 0.000 . 1 . . . . . 348 K CA . 50324 1
121 . 1 . 1 29 29 LYS CB C 13 30.833 0.000 . 1 . . . . . 348 K CB . 50324 1
122 . 1 . 1 29 29 LYS N N 15 120.172 0.000 . 1 . . . . . 348 K N . 50324 1
123 . 1 . 1 30 30 PRO C C 13 175.580 0.000 . 1 . . . . . 349 P CO . 50324 1
124 . 1 . 1 30 30 PRO CA C 13 62.433 0.000 . 1 . . . . . 349 P CA . 50324 1
125 . 1 . 1 30 30 PRO CB C 13 34.433 0.000 . 1 . . . . . 349 P CB . 50324 1
126 . 1 . 1 31 31 CYS H H 1 9.698 0.000 . 1 . . . . . 350 C HN . 50324 1
127 . 1 . 1 31 31 CYS C C 13 173.154 0.006 . 1 . . . . . 350 C CO . 50324 1
128 . 1 . 1 31 31 CYS CA C 13 58.445 0.088 . 1 . . . . . 350 C CA . 50324 1
129 . 1 . 1 31 31 CYS CB C 13 27.658 0.025 . 1 . . . . . 350 C CB . 50324 1
130 . 1 . 1 31 31 CYS N N 15 116.786 0.000 . 1 . . . . . 350 C N . 50324 1
131 . 1 . 1 32 32 HIS H H 1 8.680 0.000 . 1 . . . . . 351 H HN . 50324 1
132 . 1 . 1 32 32 HIS C C 13 172.423 0.043 . 1 . . . . . 351 H CO . 50324 1
133 . 1 . 1 32 32 HIS CA C 13 53.508 0.000 . 1 . . . . . 351 H CA . 50324 1
134 . 1 . 1 32 32 HIS CB C 13 34.320 0.138 . 1 . . . . . 351 H CB . 50324 1
135 . 1 . 1 32 32 HIS N N 15 117.199 0.000 . 1 . . . . . 351 H N . 50324 1
136 . 1 . 1 33 33 ILE H H 1 8.220 0.000 . 1 . . . . . 352 I HN . 50324 1
137 . 1 . 1 33 33 ILE C C 13 174.920 0.004 . 1 . . . . . 352 I CO . 50324 1
138 . 1 . 1 33 33 ILE CA C 13 57.570 0.037 . 1 . . . . . 352 I CA . 50324 1
139 . 1 . 1 33 33 ILE CB C 13 34.308 0.000 . 1 . . . . . 352 I CB . 50324 1
140 . 1 . 1 33 33 ILE N N 15 117.479 0.000 . 1 . . . . . 352 I N . 50324 1
141 . 1 . 1 34 34 GLN H H 1 8.959 0.000 . 1 . . . . . 353 Q HN . 50324 1
142 . 1 . 1 34 34 GLN C C 13 173.822 0.007 . 1 . . . . . 353 Q CO . 50324 1
143 . 1 . 1 34 34 GLN CA C 13 55.358 0.000 . 1 . . . . . 353 Q CA . 50324 1
144 . 1 . 1 34 34 GLN CB C 13 28.971 0.112 . 1 . . . . . 353 Q CB . 50324 1
145 . 1 . 1 34 34 GLN N N 15 132.083 0.000 . 1 . . . . . 353 Q N . 50324 1
146 . 1 . 1 35 35 ALA H H 1 7.303 0.000 . 1 . . . . . 354 A HN . 50324 1
147 . 1 . 1 35 35 ALA C C 13 173.907 0.014 . 1 . . . . . 354 A CO . 50324 1
148 . 1 . 1 35 35 ALA CA C 13 51.058 0.000 . 1 . . . . . 354 A CA . 50324 1
149 . 1 . 1 35 35 ALA CB C 13 21.320 0.013 . 1 . . . . . 354 A CB . 50324 1
150 . 1 . 1 35 35 ALA N N 15 117.828 0.000 . 1 . . . . . 354 A N . 50324 1
151 . 1 . 1 36 36 VAL H H 1 8.251 0.000 . 1 . . . . . 355 V HN . 50324 1
152 . 1 . 1 36 36 VAL C C 13 173.897 0.040 . 1 . . . . . 355 V CO . 50324 1
153 . 1 . 1 36 36 VAL CA C 13 60.308 0.000 . 1 . . . . . 355 V CA . 50324 1
154 . 1 . 1 36 36 VAL CB C 13 34.883 0.050 . 1 . . . . . 355 V CB . 50324 1
155 . 1 . 1 36 36 VAL N N 15 118.914 0.000 . 1 . . . . . 355 V N . 50324 1
156 . 1 . 1 37 37 ASP H H 1 7.879 0.000 . 1 . . . . . 356 D HN . 50324 1
157 . 1 . 1 37 37 ASP C C 13 175.836 0.000 . 1 . . . . . 356 D CO . 50324 1
158 . 1 . 1 37 37 ASP CA C 13 50.933 0.000 . 1 . . . . . 356 D CA . 50324 1
159 . 1 . 1 37 37 ASP CB C 13 40.233 0.000 . 1 . . . . . 356 D CB . 50324 1
160 . 1 . 1 37 37 ASP N N 15 128.192 0.000 . 1 . . . . . 356 D N . 50324 1
161 . 1 . 1 38 38 PRO C C 13 176.682 0.000 . 1 . . . . . 357 P CO . 50324 1
162 . 1 . 1 38 38 PRO CA C 13 64.133 0.000 . 1 . . . . . 357 P CA . 50324 1
163 . 1 . 1 38 38 PRO CB C 13 31.258 0.000 . 1 . . . . . 357 P CB . 50324 1
164 . 1 . 1 39 39 SER H H 1 8.217 0.000 . 1 . . . . . 358 S HN . 50324 1
165 . 1 . 1 39 39 SER C C 13 173.731 0.014 . 1 . . . . . 358 S CO . 50324 1
166 . 1 . 1 39 39 SER CA C 13 57.208 0.075 . 1 . . . . . 358 S CA . 50324 1
167 . 1 . 1 39 39 SER CB C 13 62.945 0.013 . 1 . . . . . 358 S CB . 50324 1
168 . 1 . 1 39 39 SER N N 15 112.503 0.000 . 1 . . . . . 358 S N . 50324 1
169 . 1 . 1 40 40 GLY H H 1 7.371 0.000 . 1 . . . . . 359 G HN . 50324 1
170 . 1 . 1 40 40 GLY C C 13 173.151 0.000 . 1 . . . . . 359 G CO . 50324 1
171 . 1 . 1 40 40 GLY CA C 13 44.783 0.000 . 1 . . . . . 359 G CA . 50324 1
172 . 1 . 1 40 40 GLY N N 15 107.795 0.000 . 1 . . . . . 359 G N . 50324 1
173 . 1 . 1 41 41 PRO C C 13 178.264 0.000 . 1 . . . . . 360 P CO . 50324 1
174 . 1 . 1 41 41 PRO CA C 13 63.483 0.000 . 1 . . . . . 360 P CA . 50324 1
175 . 1 . 1 41 41 PRO CB C 13 31.433 0.000 . 1 . . . . . 360 P CB . 50324 1
176 . 1 . 1 42 42 ALA H H 1 7.367 0.000 . 1 . . . . . 361 A HN . 50324 1
177 . 1 . 1 42 42 ALA C C 13 178.228 0.024 . 1 . . . . . 361 A CO . 50324 1
178 . 1 . 1 42 42 ALA CA C 13 54.471 0.012 . 1 . . . . . 361 A CA . 50324 1
179 . 1 . 1 42 42 ALA CB C 13 17.883 0.050 . 1 . . . . . 361 A CB . 50324 1
180 . 1 . 1 42 42 ALA N N 15 124.877 0.000 . 1 . . . . . 361 A N . 50324 1
181 . 1 . 1 43 43 ALA H H 1 8.410 0.000 . 1 . . . . . 362 A HN . 50324 1
182 . 1 . 1 43 43 ALA C C 13 181.226 0.061 . 1 . . . . . 362 A CO . 50324 1
183 . 1 . 1 43 43 ALA CA C 13 53.908 0.075 . 1 . . . . . 362 A CA . 50324 1
184 . 1 . 1 43 43 ALA CB C 13 17.533 0.050 . 1 . . . . . 362 A CB . 50324 1
185 . 1 . 1 43 43 ALA N N 15 122.897 0.000 . 1 . . . . . 362 A N . 50324 1
186 . 1 . 1 44 44 ALA H H 1 7.030 0.000 . 1 . . . . . 363 A HN . 50324 1
187 . 1 . 1 44 44 ALA C C 13 177.635 0.057 . 1 . . . . . 363 A CO . 50324 1
188 . 1 . 1 44 44 ALA CA C 13 53.783 0.000 . 1 . . . . . 363 A CA . 50324 1
189 . 1 . 1 44 44 ALA CB C 13 17.158 0.050 . 1 . . . . . 363 A CB . 50324 1
190 . 1 . 1 44 44 ALA N N 15 119.558 0.000 . 1 . . . . . 363 A N . 50324 1
191 . 1 . 1 45 45 ALA H H 1 6.956 0.000 . 1 . . . . . 364 A HN . 50324 1
192 . 1 . 1 45 45 ALA C C 13 175.828 0.049 . 1 . . . . . 364 A CO . 50324 1
193 . 1 . 1 45 45 ALA CA C 13 51.895 0.013 . 1 . . . . . 364 A CA . 50324 1
194 . 1 . 1 45 45 ALA CB C 13 18.695 0.062 . 1 . . . . . 364 A CB . 50324 1
195 . 1 . 1 45 45 ALA N N 15 117.462 0.000 . 1 . . . . . 364 A N . 50324 1
196 . 1 . 1 46 46 GLY H H 1 6.911 0.000 . 1 . . . . . 365 G HN . 50324 1
197 . 1 . 1 46 46 GLY C C 13 173.026 0.025 . 1 . . . . . 365 G CO . 50324 1
198 . 1 . 1 46 46 GLY CA C 13 43.346 0.012 . 1 . . . . . 365 G CA . 50324 1
199 . 1 . 1 46 46 GLY N N 15 101.425 0.000 . 1 . . . . . 365 G N . 50324 1
200 . 1 . 1 47 47 MET H H 1 6.947 0.000 . 1 . . . . . 366 M HN . 50324 1
201 . 1 . 1 47 47 MET C C 13 173.741 0.013 . 1 . . . . . 366 M CO . 50324 1
202 . 1 . 1 47 47 MET CA C 13 55.520 0.063 . 1 . . . . . 366 M CA . 50324 1
203 . 1 . 1 47 47 MET CB C 13 32.883 0.100 . 1 . . . . . 366 M CB . 50324 1
204 . 1 . 1 47 47 MET N N 15 121.723 0.000 . 1 . . . . . 366 M N . 50324 1
205 . 1 . 1 48 48 LYS H H 1 7.429 0.000 . 1 . . . . . 367 K HN . 50324 1
206 . 1 . 1 48 48 LYS C C 13 173.874 0.005 . 1 . . . . . 367 K CO . 50324 1
207 . 1 . 1 48 48 LYS CA C 13 53.320 0.038 . 1 . . . . . 367 K CA . 50324 1
208 . 1 . 1 48 48 LYS CB C 13 36.558 0.050 . 1 . . . . . 367 K CB . 50324 1
209 . 1 . 1 48 48 LYS N N 15 122.810 0.000 . 1 . . . . . 367 K N . 50324 1
210 . 1 . 1 49 49 VAL H H 1 7.912 0.000 . 1 . . . . . 368 V HN . 50324 1
211 . 1 . 1 49 49 VAL C C 13 175.761 0.033 . 1 . . . . . 368 V CO . 50324 1
212 . 1 . 1 49 49 VAL CA C 13 62.733 0.000 . 1 . . . . . 368 V CA . 50324 1
213 . 1 . 1 49 49 VAL CB C 13 31.183 0.075 . 1 . . . . . 368 V CB . 50324 1
214 . 1 . 1 49 49 VAL N N 15 115.630 0.000 . 1 . . . . . 368 V N . 50324 1
215 . 1 . 1 50 50 CYS H H 1 9.125 0.000 . 1 . . . . . 369 C HN . 50324 1
216 . 1 . 1 50 50 CYS C C 13 173.974 0.030 . 1 . . . . . 369 C CO . 50324 1
217 . 1 . 1 50 50 CYS CB C 13 24.633 0.025 . 1 . . . . . 369 C CB . 50324 1
218 . 1 . 1 50 50 CYS N N 15 113.628 0.000 . 1 . . . . . 369 C N . 50324 1
219 . 1 . 1 51 51 GLN H H 1 6.782 0.000 . 1 . . . . . 370 Q HN . 50324 1
220 . 1 . 1 51 51 GLN C C 13 174.520 0.018 . 1 . . . . . 370 Q CO . 50324 1
221 . 1 . 1 51 51 GLN CA C 13 56.120 0.112 . 1 . . . . . 370 Q CA . 50324 1
222 . 1 . 1 51 51 GLN CB C 13 27.858 0.050 . 1 . . . . . 370 Q CB . 50324 1
223 . 1 . 1 51 51 GLN N N 15 117.567 0.000 . 1 . . . . . 370 Q N . 50324 1
224 . 1 . 1 52 52 PHE H H 1 8.607 0.000 . 1 . . . . . 371 F HN . 50324 1
225 . 1 . 1 52 52 PHE C C 13 175.305 0.029 . 1 . . . . . 371 F CO . 50324 1
226 . 1 . 1 52 52 PHE CA C 13 56.096 0.088 . 1 . . . . . 371 F CA . 50324 1
227 . 1 . 1 52 52 PHE CB C 13 40.096 0.112 . 1 . . . . . 371 F CB . 50324 1
228 . 1 . 1 52 52 PHE N N 15 118.176 0.000 . 1 . . . . . 371 F N . 50324 1
229 . 1 . 1 53 53 VAL H H 1 8.279 0.000 . 1 . . . . . 372 V HN . 50324 1
230 . 1 . 1 53 53 VAL C C 13 173.418 0.001 . 1 . . . . . 372 V CO . 50324 1
231 . 1 . 1 53 53 VAL CA C 13 63.383 0.075 . 1 . . . . . 372 V CA . 50324 1
232 . 1 . 1 53 53 VAL CB C 13 30.846 0.062 . 1 . . . . . 372 V CB . 50324 1
233 . 1 . 1 53 53 VAL N N 15 121.456 0.000 . 1 . . . . . 372 V N . 50324 1
234 . 1 . 1 54 54 VAL H H 1 8.705 0.000 . 1 . . . . . 373 V HN . 50324 1
235 . 1 . 1 54 54 VAL C C 13 174.785 0.086 . 1 . . . . . 373 V CO . 50324 1
236 . 1 . 1 54 54 VAL CA C 13 62.733 0.150 . 1 . . . . . 373 V CA . 50324 1
237 . 1 . 1 54 54 VAL CB C 13 32.020 0.062 . 1 . . . . . 373 V CB . 50324 1
238 . 1 . 1 54 54 VAL N N 15 126.897 0.000 . 1 . . . . . 373 V N . 50324 1
239 . 1 . 1 55 55 SER H H 1 7.580 0.000 . 1 . . . . . 374 S HN . 50324 1
240 . 1 . 1 55 55 SER C C 13 171.698 0.015 . 1 . . . . . 374 S CO . 50324 1
241 . 1 . 1 55 55 SER CA C 13 56.096 0.012 . 1 . . . . . 374 S CA . 50324 1
242 . 1 . 1 55 55 SER CB C 13 64.946 0.037 . 1 . . . . . 374 S CB . 50324 1
243 . 1 . 1 55 55 SER N N 15 110.206 0.000 . 1 . . . . . 374 S N . 50324 1
244 . 1 . 1 56 56 VAL H H 1 8.177 0.000 . 1 . . . . . 375 V HN . 50324 1
245 . 1 . 1 56 56 VAL C C 13 174.162 0.035 . 1 . . . . . 375 V CO . 50324 1
246 . 1 . 1 56 56 VAL CA C 13 60.333 0.000 . 1 . . . . . 375 V CA . 50324 1
247 . 1 . 1 56 56 VAL CB C 13 33.933 0.025 . 1 . . . . . 375 V CB . 50324 1
248 . 1 . 1 56 56 VAL N N 15 118.258 0.000 . 1 . . . . . 375 V N . 50324 1
249 . 1 . 1 57 57 ASN H H 1 9.587 0.000 . 1 . . . . . 376 N HN . 50324 1
250 . 1 . 1 57 57 ASN C C 13 174.028 0.077 . 1 . . . . . 376 N CO . 50324 1
251 . 1 . 1 57 57 ASN CA C 13 53.558 0.100 . 1 . . . . . 376 N CA . 50324 1
252 . 1 . 1 57 57 ASN CB C 13 36.258 0.050 . 1 . . . . . 376 N CB . 50324 1
253 . 1 . 1 57 57 ASN N N 15 126.486 0.000 . 1 . . . . . 376 N N . 50324 1
254 . 1 . 1 58 58 GLY H H 1 8.712 0.000 . 1 . . . . . 377 G HN . 50324 1
255 . 1 . 1 58 58 GLY C C 13 172.509 0.040 . 1 . . . . . 377 G CO . 50324 1
256 . 1 . 1 58 58 GLY CA C 13 44.133 0.025 . 1 . . . . . 377 G CA . 50324 1
257 . 1 . 1 58 58 GLY N N 15 102.870 0.000 . 1 . . . . . 377 G N . 50324 1
258 . 1 . 1 59 59 LEU H H 1 7.664 0.000 . 1 . . . . . 378 L HN . 50324 1
259 . 1 . 1 59 59 LEU C C 13 174.609 0.013 . 1 . . . . . 378 L CO . 50324 1
260 . 1 . 1 59 59 LEU CA C 13 52.808 0.000 . 1 . . . . . 378 L CA . 50324 1
261 . 1 . 1 59 59 LEU CB C 13 41.870 0.063 . 1 . . . . . 378 L CB . 50324 1
262 . 1 . 1 59 59 LEU N N 15 123.786 0.000 . 1 . . . . . 378 L N . 50324 1
263 . 1 . 1 60 60 ASN H H 1 8.682 0.000 . 1 . . . . . 379 N HN . 50324 1
264 . 1 . 1 60 60 ASN C C 13 175.575 0.036 . 1 . . . . . 379 N CO . 50324 1
265 . 1 . 1 60 60 ASN CA C 13 54.108 0.000 . 1 . . . . . 379 N CA . 50324 1
266 . 1 . 1 60 60 ASN CB C 13 38.233 0.025 . 1 . . . . . 379 N CB . 50324 1
267 . 1 . 1 60 60 ASN N N 15 125.700 0.000 . 1 . . . . . 379 N N . 50324 1
268 . 1 . 1 61 61 VAL H H 1 8.463 0.000 . 1 . . . . . 380 V HN . 50324 1
269 . 1 . 1 61 61 VAL C C 13 176.151 0.027 . 1 . . . . . 380 V CO . 50324 1
270 . 1 . 1 61 61 VAL CA C 13 58.783 0.075 . 1 . . . . . 380 V CA . 50324 1
271 . 1 . 1 61 61 VAL CB C 13 30.120 0.038 . 1 . . . . . 380 V CB . 50324 1
272 . 1 . 1 61 61 VAL N N 15 118.351 0.000 . 1 . . . . . 380 V N . 50324 1
273 . 1 . 1 62 62 LEU H H 1 8.043 0.000 . 1 . . . . . 381 L HN . 50324 1
274 . 1 . 1 62 62 LEU C C 13 176.432 0.086 . 1 . . . . . 381 L CO . 50324 1
275 . 1 . 1 62 62 LEU CA C 13 57.383 0.000 . 1 . . . . . 381 L CA . 50324 1
276 . 1 . 1 62 62 LEU CB C 13 41.633 0.025 . 1 . . . . . 381 L CB . 50324 1
277 . 1 . 1 62 62 LEU N N 15 124.312 0.000 . 1 . . . . . 381 L N . 50324 1
278 . 1 . 1 63 63 HIS H H 1 8.441 0.000 . 1 . . . . . 382 H HN . 50324 1
279 . 1 . 1 63 63 HIS C C 13 174.468 0.031 . 1 . . . . . 382 H CO . 50324 1
280 . 1 . 1 63 63 HIS CA C 13 54.708 0.000 . 1 . . . . . 382 H CA . 50324 1
281 . 1 . 1 63 63 HIS CB C 13 29.683 0.025 . 1 . . . . . 382 H CB . 50324 1
282 . 1 . 1 63 63 HIS N N 15 112.459 0.000 . 1 . . . . . 382 H N . 50324 1
283 . 1 . 1 64 64 VAL H H 1 6.704 0.000 . 1 . . . . . 383 V HN . 50324 1
284 . 1 . 1 64 64 VAL C C 13 172.273 0.026 . 1 . . . . . 383 V CO . 50324 1
285 . 1 . 1 64 64 VAL CA C 13 58.445 0.013 . 1 . . . . . 383 V CA . 50324 1
286 . 1 . 1 64 64 VAL CB C 13 33.321 0.062 . 1 . . . . . 383 V CB . 50324 1
287 . 1 . 1 64 64 VAL N N 15 112.649 0.000 . 1 . . . . . 383 V N . 50324 1
288 . 1 . 1 65 65 ASP H H 1 7.734 0.000 . 1 . . . . . 384 D HN . 50324 1
289 . 1 . 1 65 65 ASP C C 13 177.608 0.000 . 1 . . . . . 384 D CO . 50324 1
290 . 1 . 1 65 65 ASP CA C 13 51.333 0.000 . 1 . . . . . 384 D CA . 50324 1
291 . 1 . 1 65 65 ASP CB C 13 43.058 0.075 . 1 . . . . . 384 D CB . 50324 1
292 . 1 . 1 65 65 ASP N N 15 115.740 0.000 . 1 . . . . . 384 D N . 50324 1
293 . 1 . 1 66 66 TYR H H 1 7.836 0.000 . 1 . . . . . 385 Y HN . 50324 1
294 . 1 . 1 66 66 TYR C C 13 175.193 0.000 . 1 . . . . . 385 Y CO . 50324 1
295 . 1 . 1 66 66 TYR CA C 13 60.221 0.012 . 1 . . . . . 385 Y CA . 50324 1
296 . 1 . 1 66 66 TYR CB C 13 35.433 0.000 . 1 . . . . . 385 Y CB . 50324 1
297 . 1 . 1 66 66 TYR N N 15 117.119 0.000 . 1 . . . . . 385 Y N . 50324 1
298 . 1 . 1 67 67 ARG H H 1 6.680 0.000 . 1 . . . . . 386 R HN . 50324 1
299 . 1 . 1 67 67 ARG C C 13 178.873 0.023 . 1 . . . . . 386 R CO . 50324 1
300 . 1 . 1 67 67 ARG CA C 13 58.195 0.038 . 1 . . . . . 386 R CA . 50324 1
301 . 1 . 1 67 67 ARG CB C 13 28.221 0.137 . 1 . . . . . 386 R CB . 50324 1
302 . 1 . 1 67 67 ARG N N 15 122.140 0.000 . 1 . . . . . 386 R N . 50324 1
303 . 1 . 1 68 68 THR H H 1 7.273 0.000 . 1 . . . . . 387 T HN . 50324 1
304 . 1 . 1 68 68 THR C C 13 175.908 0.000 . 1 . . . . . 387 T CO . 50324 1
305 . 1 . 1 68 68 THR CA C 13 65.846 0.013 . 1 . . . . . 387 T CA . 50324 1
306 . 1 . 1 68 68 THR CB C 13 67.221 0.112 . 1 . . . . . 387 T CB . 50324 1
307 . 1 . 1 68 68 THR N N 15 118.089 0.000 . 1 . . . . . 387 T N . 50324 1
308 . 1 . 1 69 69 VAL H H 1 7.448 0.000 . 1 . . . . . 388 V HN . 50324 1
309 . 1 . 1 69 69 VAL C C 13 176.014 0.030 . 1 . . . . . 388 V CO . 50324 1
310 . 1 . 1 69 69 VAL CA C 13 67.108 0.025 . 1 . . . . . 388 V CA . 50324 1
311 . 1 . 1 69 69 VAL CB C 13 30.333 0.025 . 1 . . . . . 388 V CB . 50324 1
312 . 1 . 1 69 69 VAL N N 15 121.477 0.000 . 1 . . . . . 388 V N . 50324 1
313 . 1 . 1 70 70 ASN H H 1 8.682 0.000 . 1 . . . . . 389 N HN . 50324 1
314 . 1 . 1 70 70 ASN C C 13 176.731 0.049 . 1 . . . . . 389 N CO . 50324 1
315 . 1 . 1 70 70 ASN CA C 13 55.020 0.037 . 1 . . . . . 389 N CA . 50324 1
316 . 1 . 1 70 70 ASN CB C 13 36.608 0.050 . 1 . . . . . 389 N CB . 50324 1
317 . 1 . 1 70 70 ASN N N 15 117.698 0.000 . 1 . . . . . 389 N N . 50324 1
318 . 1 . 1 71 71 ASN H H 1 7.466 0.000 . 1 . . . . . 390 N HN . 50324 1
319 . 1 . 1 71 71 ASN C C 13 176.899 0.011 . 1 . . . . . 390 N CO . 50324 1
320 . 1 . 1 71 71 ASN CA C 13 56.058 0.050 . 1 . . . . . 390 N CA . 50324 1
321 . 1 . 1 71 71 ASN CB C 13 37.833 0.025 . 1 . . . . . 390 N CB . 50324 1
322 . 1 . 1 71 71 ASN N N 15 117.457 0.000 . 1 . . . . . 390 N N . 50324 1
323 . 1 . 1 72 72 LEU H H 1 7.697 0.000 . 1 . . . . . 391 L HN . 50324 1
324 . 1 . 1 72 72 LEU C C 13 178.949 0.047 . 1 . . . . . 391 L CO . 50324 1
325 . 1 . 1 72 72 LEU CA C 13 56.933 0.000 . 1 . . . . . 391 L CA . 50324 1
326 . 1 . 1 72 72 LEU CB C 13 41.020 0.087 . 1 . . . . . 391 L CB . 50324 1
327 . 1 . 1 72 72 LEU N N 15 121.727 0.000 . 1 . . . . . 391 L N . 50324 1
328 . 1 . 1 73 73 ILE H H 1 7.815 0.000 . 1 . . . . . 392 I HN . 50324 1
329 . 1 . 1 73 73 ILE C C 13 177.437 0.029 . 1 . . . . . 392 I CO . 50324 1
330 . 1 . 1 73 73 ILE CA C 13 64.108 0.000 . 1 . . . . . 392 I CA . 50324 1
331 . 1 . 1 73 73 ILE CB C 13 37.183 0.000 . 1 . . . . . 392 I CB . 50324 1
332 . 1 . 1 73 73 ILE N N 15 119.424 0.000 . 1 . . . . . 392 I N . 50324 1
333 . 1 . 1 74 74 LEU H H 1 7.841 0.000 . 1 . . . . . 393 L HN . 50324 1
334 . 1 . 1 74 74 LEU C C 13 178.209 0.026 . 1 . . . . . 393 L CO . 50324 1
335 . 1 . 1 74 74 LEU CA C 13 56.908 0.025 . 1 . . . . . 393 L CA . 50324 1
336 . 1 . 1 74 74 LEU CB C 13 41.770 0.013 . 1 . . . . . 393 L CB . 50324 1
337 . 1 . 1 74 74 LEU N N 15 117.119 0.000 . 1 . . . . . 393 L N . 50324 1
338 . 1 . 1 75 75 THR H H 1 7.239 0.000 . 1 . . . . . 394 T HN . 50324 1
339 . 1 . 1 75 75 THR C C 13 174.244 0.053 . 1 . . . . . 394 T CO . 50324 1
340 . 1 . 1 75 75 THR CA C 13 60.745 0.087 . 1 . . . . . 394 T CA . 50324 1
341 . 1 . 1 75 75 THR CB C 13 69.283 0.050 . 1 . . . . . 394 T CB . 50324 1
342 . 1 . 1 75 75 THR N N 15 105.483 0.000 . 1 . . . . . 394 T N . 50324 1
343 . 1 . 1 76 76 GLY H H 1 6.905 0.000 . 1 . . . . . 395 G HN . 50324 1
344 . 1 . 1 76 76 GLY C C 13 170.894 0.000 . 1 . . . . . 395 G CO . 50324 1
345 . 1 . 1 76 76 GLY CA C 13 44.108 0.000 . 1 . . . . . 395 G CA . 50324 1
346 . 1 . 1 76 76 GLY N N 15 111.535 0.000 . 1 . . . . . 395 G N . 50324 1
347 . 1 . 1 77 77 PRO C C 13 174.941 0.000 . 1 . . . . . 396 P CO . 50324 1
348 . 1 . 1 77 77 PRO CA C 13 61.358 0.000 . 1 . . . . . 396 P CA . 50324 1
349 . 1 . 1 77 77 PRO CB C 13 31.758 0.000 . 1 . . . . . 396 P CB . 50324 1
350 . 1 . 1 78 78 ARG H H 1 8.311 0.000 . 1 . . . . . 397 R HN . 50324 1
351 . 1 . 1 78 78 ARG C C 13 177.440 0.043 . 1 . . . . . 397 R CO . 50324 1
352 . 1 . 1 78 78 ARG CA C 13 57.358 0.050 . 1 . . . . . 397 R CA . 50324 1
353 . 1 . 1 78 78 ARG CB C 13 29.320 0.012 . 1 . . . . . 397 R CB . 50324 1
354 . 1 . 1 78 78 ARG N N 15 117.010 0.000 . 1 . . . . . 397 R N . 50324 1
355 . 1 . 1 79 79 THR H H 1 7.358 0.000 . 1 . . . . . 398 T HN . 50324 1
356 . 1 . 1 79 79 THR C C 13 172.543 0.002 . 1 . . . . . 398 T CO . 50324 1
357 . 1 . 1 79 79 THR CA C 13 61.596 0.163 . 1 . . . . . 398 T CA . 50324 1
358 . 1 . 1 79 79 THR CB C 13 67.821 0.037 . 1 . . . . . 398 T CB . 50324 1
359 . 1 . 1 79 79 THR N N 15 115.895 0.000 . 1 . . . . . 398 T N . 50324 1
360 . 1 . 1 80 80 ILE H H 1 8.697 0.000 . 1 . . . . . 399 I HN . 50324 1
361 . 1 . 1 80 80 ILE C C 13 173.945 0.052 . 1 . . . . . 399 I CO . 50324 1
362 . 1 . 1 80 80 ILE CA C 13 58.721 0.012 . 1 . . . . . 399 I CA . 50324 1
363 . 1 . 1 80 80 ILE CB C 13 40.583 0.000 . 1 . . . . . 399 I CB . 50324 1
364 . 1 . 1 80 80 ILE N N 15 124.810 0.000 . 1 . . . . . 399 I N . 50324 1
365 . 1 . 1 81 81 VAL H H 1 7.735 0.000 . 1 . . . . . 400 V HN . 50324 1
366 . 1 . 1 81 81 VAL C C 13 175.522 0.013 . 1 . . . . . 400 V CO . 50324 1
367 . 1 . 1 81 81 VAL CA C 13 60.321 0.062 . 1 . . . . . 400 V CA . 50324 1
368 . 1 . 1 81 81 VAL CB C 13 32.233 0.050 . 1 . . . . . 400 V CB . 50324 1
369 . 1 . 1 81 81 VAL N N 15 123.344 0.000 . 1 . . . . . 400 V N . 50324 1
370 . 1 . 1 82 82 MET H H 1 9.215 0.000 . 1 . . . . . 401 M HN . 50324 1
371 . 1 . 1 82 82 MET C C 13 172.633 0.025 . 1 . . . . . 401 M CO . 50324 1
372 . 1 . 1 82 82 MET CA C 13 52.733 0.000 . 1 . . . . . 401 M CA . 50324 1
373 . 1 . 1 82 82 MET CB C 13 36.620 0.012 . 1 . . . . . 401 M CB . 50324 1
374 . 1 . 1 82 82 MET N N 15 129.706 0.000 . 1 . . . . . 401 M N . 50324 1
375 . 1 . 1 83 83 GLU H H 1 7.798 0.000 . 1 . . . . . 402 E HN . 50324 1
376 . 1 . 1 83 83 GLU C C 13 175.212 0.030 . 1 . . . . . 402 E CO . 50324 1
377 . 1 . 1 83 83 GLU CA C 13 53.596 0.012 . 1 . . . . . 402 E CA . 50324 1
378 . 1 . 1 83 83 GLU CB C 13 31.533 0.025 . 1 . . . . . 402 E CB . 50324 1
379 . 1 . 1 83 83 GLU N N 15 123.766 0.000 . 1 . . . . . 402 E N . 50324 1
380 . 1 . 1 84 84 VAL H H 1 8.869 0.000 . 1 . . . . . 403 V HN . 50324 1
381 . 1 . 1 84 84 VAL C C 13 173.802 0.002 . 1 . . . . . 403 V CO . 50324 1
382 . 1 . 1 84 84 VAL CA C 13 57.745 0.037 . 1 . . . . . 403 V CA . 50324 1
383 . 1 . 1 84 84 VAL CB C 13 35.233 0.125 . 1 . . . . . 403 V CB . 50324 1
384 . 1 . 1 84 84 VAL N N 15 116.919 0.000 . 1 . . . . . 403 V N . 50324 1
385 . 1 . 1 85 85 MET H H 1 8.790 0.000 . 1 . . . . . 404 M HN . 50324 1
386 . 1 . 1 85 85 MET C C 13 173.650 0.045 . 1 . . . . . 404 M CO . 50324 1
387 . 1 . 1 85 85 MET CA C 13 53.070 0.138 . 1 . . . . . 404 M CA . 50324 1
388 . 1 . 1 85 85 MET CB C 13 35.695 0.138 . 1 . . . . . 404 M CB . 50324 1
389 . 1 . 1 85 85 MET N N 15 116.245 0.000 . 1 . . . . . 404 M N . 50324 1
390 . 1 . 1 86 86 GLU H H 1 8.918 0.000 . 1 . . . . . 405 E HN . 50324 1
391 . 1 . 1 86 86 GLU CA C 13 53.808 0.000 . 1 . . . . . 405 E CA . 50324 1
392 . 1 . 1 86 86 GLU CB C 13 33.008 0.000 . 1 . . . . . 405 E CB . 50324 1
393 . 1 . 1 86 86 GLU N N 15 122.203 0.000 . 1 . . . . . 405 E N . 50324 1
394 . 1 . 1 87 87 GLU C C 13 175.018 0.000 . 1 . . . . . 406 E CO . 50324 1
395 . 1 . 1 87 87 GLU CA C 13 55.908 0.000 . 1 . . . . . 406 E CA . 50324 1
396 . 1 . 1 87 87 GLU CB C 13 29.783 0.000 . 1 . . . . . 406 E CB . 50324 1
397 . 1 . 1 88 88 LEU H H 1 8.087 0.000 . 1 . . . . . 407 L HN . 50324 1
398 . 1 . 1 88 88 LEU C C 13 176.025 0.000 . 1 . . . . . 407 L CO . 50324 1
399 . 1 . 1 88 88 LEU CA C 13 53.695 0.038 . 1 . . . . . 407 L CA . 50324 1
400 . 1 . 1 88 88 LEU CB C 13 41.695 0.038 . 1 . . . . . 407 L CB . 50324 1
401 . 1 . 1 88 88 LEU N N 15 125.202 0.000 . 1 . . . . . 407 L N . 50324 1
402 . 1 . 1 89 89 GLU H H 1 8.259 0.000 . 1 . . . . . 408 E HN . 50324 1
403 . 1 . 1 89 89 GLU C C 13 174.672 0.018 . 1 . . . . . 408 E CO . 50324 1
404 . 1 . 1 89 89 GLU CA C 13 55.808 0.000 . 1 . . . . . 408 E CA . 50324 1
405 . 1 . 1 89 89 GLU CB C 13 29.458 0.050 . 1 . . . . . 408 E CB . 50324 1
406 . 1 . 1 89 89 GLU N N 15 122.091 0.000 . 1 . . . . . 408 E N . 50324 1
407 . 1 . 1 90 90 CYS H H 1 7.814 0.000 . 1 . . . . . 409 C HN . 50324 1
408 . 1 . 1 90 90 CYS C C 13 177.826 0.000 . 1 . . . . . 409 C CO . 50324 1
409 . 1 . 1 90 90 CYS CA C 13 58.508 0.000 . 1 . . . . . 409 C CA . 50324 1
410 . 1 . 1 90 90 CYS CB C 13 28.308 0.000 . 1 . . . . . 409 C CB . 50324 1
411 . 1 . 1 90 90 CYS N N 15 124.274 0.000 . 1 . . . . . 409 C N . 50324 1
stop_
save_