###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
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 51831
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name chemical_shift1
_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' . . . 51831 1
2 '3D HNCO' . . . 51831 1
3 '3D HNCA' . . . 51831 1
4 '3D HN(CA)CO' . . . 51831 1
5 '3D HNCACB' . . . 51831 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 . . 51831 1
2 $software_2 . . 51831 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 THR H H 1 8.078 0.020 . 1 . . . . . 389 THR H . 51831 1
2 . 1 . 1 4 4 THR C C 13 174.603 0.3 . 1 . . . . . 389 THR C . 51831 1
3 . 1 . 1 4 4 THR CA C 13 61.851 0.3 . 1 . . . . . 389 THR CA . 51831 1
4 . 1 . 1 4 4 THR CB C 13 69.671 0.3 . 1 . . . . . 389 THR CB . 51831 1
5 . 1 . 1 4 4 THR N N 15 114.007 0.3 . 1 . . . . . 389 THR N . 51831 1
6 . 1 . 1 5 5 LEU H H 1 8.120 0.020 . 1 . . . . . 390 LEU H . 51831 1
7 . 1 . 1 5 5 LEU C C 13 177.167 0.3 . 1 . . . . . 390 LEU C . 51831 1
8 . 1 . 1 5 5 LEU CA C 13 55.647 0.3 . 1 . . . . . 390 LEU CA . 51831 1
9 . 1 . 1 5 5 LEU CB C 13 42.238 0.3 . 1 . . . . . 390 LEU CB . 51831 1
10 . 1 . 1 5 5 LEU N N 15 123.573 0.3 . 1 . . . . . 390 LEU N . 51831 1
11 . 1 . 1 6 6 PHE H H 1 8.042 0.020 . 1 . . . . . 391 PHE H . 51831 1
12 . 1 . 1 6 6 PHE C C 13 176.416 0.3 . 1 . . . . . 391 PHE C . 51831 1
13 . 1 . 1 6 6 PHE CA C 13 58.144 0.3 . 1 . . . . . 391 PHE CA . 51831 1
14 . 1 . 1 6 6 PHE CB C 13 39.457 0.3 . 1 . . . . . 391 PHE CB . 51831 1
15 . 1 . 1 6 6 PHE N N 15 119.421 0.3 . 1 . . . . . 391 PHE N . 51831 1
16 . 1 . 1 7 7 GLY H H 1 8.189 0.020 . 1 . . . . . 392 GLY H . 51831 1
17 . 1 . 1 7 7 GLY C C 13 174.327 0.3 . 1 . . . . . 392 GLY C . 51831 1
18 . 1 . 1 7 7 GLY CA C 13 45.591 0.3 . 1 . . . . . 392 GLY CA . 51831 1
19 . 1 . 1 7 7 GLY N N 15 109.198 0.3 . 1 . . . . . 392 GLY N . 51831 1
20 . 1 . 1 8 8 THR H H 1 7.883 0.020 . 1 . . . . . 393 THR H . 51831 1
21 . 1 . 1 8 8 THR C C 13 176.210 0.3 . 1 . . . . . 393 THR C . 51831 1
22 . 1 . 1 8 8 THR CA C 13 61.997 0.3 . 1 . . . . . 393 THR CA . 51831 1
23 . 1 . 1 8 8 THR CB C 13 69.671 0.3 . 1 . . . . . 393 THR CB . 51831 1
24 . 1 . 1 8 8 THR N N 15 113.021 0.3 . 1 . . . . . 393 THR N . 51831 1
25 . 1 . 1 9 9 PHE H H 1 8.071 0.020 . 1 . . . . . 394 PHE H . 51831 1
26 . 1 . 1 9 9 PHE C C 13 175.328 0.3 . 1 . . . . . 394 PHE C . 51831 1
27 . 1 . 1 9 9 PHE CA C 13 58.144 0.3 . 1 . . . . . 394 PHE CA . 51831 1
28 . 1 . 1 9 9 PHE CB C 13 39.528 0.3 . 1 . . . . . 394 PHE CB . 51831 1
29 . 1 . 1 9 9 PHE N N 15 121.459 0.3 . 1 . . . . . 394 PHE N . 51831 1
30 . 1 . 1 11 11 VAL H H 1 7.951 0.020 . 1 . . . . . 396 VAL H . 51831 1
31 . 1 . 1 11 11 VAL C C 13 175.553 0.3 . 1 . . . . . 396 VAL C . 51831 1
32 . 1 . 1 11 11 VAL CA C 13 62.066 0.3 . 1 . . . . . 396 VAL CA . 51831 1
33 . 1 . 1 11 11 VAL CB C 13 32.966 0.3 . 1 . . . . . 396 VAL CB . 51831 1
34 . 1 . 1 11 11 VAL N N 15 120.708 0.3 . 1 . . . . . 396 VAL N . 51831 1
35 . 1 . 1 12 12 ALA H H 1 8.293 0.020 . 1 . . . . . 397 ALA H . 51831 1
36 . 1 . 1 12 12 ALA C C 13 177.330 0.3 . 1 . . . . . 397 ALA C . 51831 1
37 . 1 . 1 12 12 ALA CA C 13 52.295 0.3 . 1 . . . . . 397 ALA CA . 51831 1
38 . 1 . 1 12 12 ALA CB C 13 19.129 0.3 . 1 . . . . . 397 ALA CB . 51831 1
39 . 1 . 1 12 12 ALA N N 15 126.820 0.3 . 1 . . . . . 397 ALA N . 51831 1
40 . 1 . 1 15 15 SER H H 1 8.480 0.020 . 1 . . . . . 400 SER H . 51831 1
41 . 1 . 1 15 15 SER C C 13 174.682 0.3 . 1 . . . . . 400 SER C . 51831 1
42 . 1 . 1 15 15 SER CA C 13 58.351 0.3 . 1 . . . . . 400 SER CA . 51831 1
43 . 1 . 1 15 15 SER CB C 13 63.937 0.3 . 1 . . . . . 400 SER CB . 51831 1
44 . 1 . 1 15 15 SER N N 15 117.804 0.3 . 1 . . . . . 400 SER N . 51831 1
45 . 1 . 1 16 16 SER H H 1 8.348 0.020 . 1 . . . . . 401 SER H . 51831 1
46 . 1 . 1 16 16 SER C C 13 174.752 0.3 . 1 . . . . . 401 SER C . 51831 1
47 . 1 . 1 16 16 SER CA C 13 58.708 0.3 . 1 . . . . . 401 SER CA . 51831 1
48 . 1 . 1 16 16 SER CB C 13 63.707 0.3 . 1 . . . . . 401 SER CB . 51831 1
49 . 1 . 1 16 16 SER N N 15 117.262 0.3 . 1 . . . . . 401 SER N . 51831 1
50 . 1 . 1 17 17 LEU H H 1 8.179 0.020 . 1 . . . . . 402 LEU H . 51831 1
51 . 1 . 1 17 17 LEU C C 13 177.167 0.3 . 1 . . . . . 402 LEU C . 51831 1
52 . 1 . 1 17 17 LEU CA C 13 55.505 0.3 . 1 . . . . . 402 LEU CA . 51831 1
53 . 1 . 1 17 17 LEU CB C 13 42.024 0.3 . 1 . . . . . 402 LEU CB . 51831 1
54 . 1 . 1 17 17 LEU N N 15 122.847 0.3 . 1 . . . . . 402 LEU N . 51831 1
55 . 1 . 1 18 18 ASP H H 1 8.117 0.020 . 1 . . . . . 403 ASP H . 51831 1
56 . 1 . 1 18 18 ASP C C 13 176.154 0.3 . 1 . . . . . 403 ASP C . 51831 1
57 . 1 . 1 18 18 ASP CA C 13 54.667 0.3 . 1 . . . . . 403 ASP CA . 51831 1
58 . 1 . 1 18 18 ASP CB C 13 41.112 0.3 . 1 . . . . . 403 ASP CB . 51831 1
59 . 1 . 1 18 18 ASP N N 15 119.434 0.3 . 1 . . . . . 403 ASP N . 51831 1
60 . 1 . 1 19 19 ASP H H 1 8.123 0.020 . 1 . . . . . 404 ASP H . 51831 1
61 . 1 . 1 19 19 ASP C C 13 176.867 0.3 . 1 . . . . . 404 ASP C . 51831 1
62 . 1 . 1 19 19 ASP CA C 13 54.236 0.3 . 1 . . . . . 404 ASP CA . 51831 1
63 . 1 . 1 19 19 ASP CB C 13 40.960 0.3 . 1 . . . . . 404 ASP CB . 51831 1
64 . 1 . 1 19 19 ASP N N 15 119.905 0.3 . 1 . . . . . 404 ASP N . 51831 1
65 . 1 . 1 20 20 VAL H H 1 7.972 0.020 . 1 . . . . . 405 VAL H . 51831 1
66 . 1 . 1 20 20 VAL C C 13 176.404 0.3 . 1 . . . . . 405 VAL C . 51831 1
67 . 1 . 1 20 20 VAL CA C 13 64.071 0.3 . 1 . . . . . 405 VAL CA . 51831 1
68 . 1 . 1 20 20 VAL CB C 13 32.248 0.3 . 1 . . . . . 405 VAL CB . 51831 1
69 . 1 . 1 20 20 VAL N N 15 119.498 0.3 . 1 . . . . . 405 VAL N . 51831 1
70 . 1 . 1 21 21 ASP H H 1 8.202 0.020 . 1 . . . . . 406 ASP H . 51831 1
71 . 1 . 1 21 21 ASP C C 13 177.205 0.3 . 1 . . . . . 406 ASP C . 51831 1
72 . 1 . 1 21 21 ASP CA C 13 55.505 0.3 . 1 . . . . . 406 ASP CA . 51831 1
73 . 1 . 1 21 21 ASP CB C 13 40.598 0.3 . 1 . . . . . 406 ASP CB . 51831 1
74 . 1 . 1 21 21 ASP N N 15 120.759 0.3 . 1 . . . . . 406 ASP N . 51831 1
75 . 1 . 1 22 22 HIS H H 1 8.301 0.020 . 1 . . . . . 407 HIS H . 51831 1
76 . 1 . 1 22 22 HIS C C 13 175.866 0.3 . 1 . . . . . 407 HIS C . 51831 1
77 . 1 . 1 22 22 HIS CA C 13 57.359 0.3 . 1 . . . . . 407 HIS CA . 51831 1
78 . 1 . 1 22 22 HIS CB C 13 28.473 0.3 . 1 . . . . . 407 HIS CB . 51831 1
79 . 1 . 1 22 22 HIS N N 15 118.161 0.3 . 1 . . . . . 407 HIS N . 51831 1
80 . 1 . 1 23 23 LYS H H 1 8.318 0.020 . 1 . . . . . 408 LYS H . 51831 1
81 . 1 . 1 23 23 LYS C C 13 177.755 0.3 . 1 . . . . . 408 LYS C . 51831 1
82 . 1 . 1 23 23 LYS CA C 13 58.571 0.3 . 1 . . . . . 408 LYS CA . 51831 1
83 . 1 . 1 23 23 LYS CB C 13 32.324 0.3 . 1 . . . . . 408 LYS CB . 51831 1
84 . 1 . 1 23 23 LYS N N 15 121.153 0.3 . 1 . . . . . 408 LYS N . 51831 1
85 . 1 . 1 24 24 ILE H H 1 8.086 0.020 . 1 . . . . . 409 ILE H . 51831 1
86 . 1 . 1 24 24 ILE C C 13 177.104 0.3 . 1 . . . . . 409 ILE C . 51831 1
87 . 1 . 1 24 24 ILE CA C 13 62.922 0.3 . 1 . . . . . 409 ILE CA . 51831 1
88 . 1 . 1 24 24 ILE CB C 13 38.244 0.3 . 1 . . . . . 409 ILE CB . 51831 1
89 . 1 . 1 24 24 ILE N N 15 120.001 0.3 . 1 . . . . . 409 ILE N . 51831 1
90 . 1 . 1 25 25 LEU H H 1 8.026 0.020 . 1 . . . . . 410 LEU H . 51831 1
91 . 1 . 1 25 25 LEU C C 13 178.355 0.3 . 1 . . . . . 410 LEU C . 51831 1
92 . 1 . 1 25 25 LEU CA C 13 56.734 0.3 . 1 . . . . . 410 LEU CA . 51831 1
93 . 1 . 1 25 25 LEU CB C 13 42.043 0.3 . 1 . . . . . 410 LEU CB . 51831 1
94 . 1 . 1 25 25 LEU N N 15 122.325 0.3 . 1 . . . . . 410 LEU N . 51831 1
95 . 1 . 1 26 26 THR H H 1 7.940 0.020 . 1 . . . . . 411 THR H . 51831 1
96 . 1 . 1 26 26 THR C C 13 175.228 0.3 . 1 . . . . . 411 THR C . 51831 1
97 . 1 . 1 26 26 THR CA C 13 63.312 0.3 . 1 . . . . . 411 THR CA . 51831 1
98 . 1 . 1 26 26 THR CB C 13 69.671 0.3 . 1 . . . . . 411 THR CB . 51831 1
99 . 1 . 1 26 26 THR N N 15 112.677 0.3 . 1 . . . . . 411 THR N . 51831 1
100 . 1 . 1 27 27 ALA H H 1 7.994 0.020 . 1 . . . . . 412 ALA H . 51831 1
101 . 1 . 1 27 27 ALA C C 13 178.806 0.3 . 1 . . . . . 412 ALA C . 51831 1
102 . 1 . 1 27 27 ALA CA C 13 53.721 0.3 . 1 . . . . . 412 ALA CA . 51831 1
103 . 1 . 1 27 27 ALA CB C 13 18.630 0.3 . 1 . . . . . 412 ALA CB . 51831 1
104 . 1 . 1 27 27 ALA N N 15 124.974 0.3 . 1 . . . . . 412 ALA N . 51831 1
105 . 1 . 1 28 28 LYS H H 1 8.183 0.020 . 1 . . . . . 413 LYS H . 51831 1
106 . 1 . 1 28 28 LYS C C 13 177.567 0.3 . 1 . . . . . 413 LYS C . 51831 1
107 . 1 . 1 28 28 LYS CA C 13 57.359 0.3 . 1 . . . . . 413 LYS CA . 51831 1
108 . 1 . 1 28 28 LYS CB C 13 32.752 0.3 . 1 . . . . . 413 LYS CB . 51831 1
109 . 1 . 1 28 28 LYS N N 15 119.039 0.3 . 1 . . . . . 413 LYS N . 51831 1
110 . 1 . 1 29 29 GLN H H 1 8.172 0.020 . 1 . . . . . 414 GLN H . 51831 1
111 . 1 . 1 29 29 GLN C C 13 176.466 0.3 . 1 . . . . . 414 GLN C . 51831 1
112 . 1 . 1 29 29 GLN CA C 13 56.931 0.3 . 1 . . . . . 414 GLN CA . 51831 1
113 . 1 . 1 29 29 GLN CB C 13 29.186 0.3 . 1 . . . . . 414 GLN CB . 51831 1
114 . 1 . 1 29 29 GLN N N 15 119.956 0.3 . 1 . . . . . 414 GLN N . 51831 1
115 . 1 . 1 30 30 ALA H H 1 8.233 0.020 . 1 . . . . . 415 ALA H . 51831 1
116 . 1 . 1 30 30 ALA C C 13 178.193 0.3 . 1 . . . . . 415 ALA C . 51831 1
117 . 1 . 1 30 30 ALA CA C 13 53.293 0.3 . 1 . . . . . 415 ALA CA . 51831 1
118 . 1 . 1 30 30 ALA CB C 13 18.915 0.3 . 1 . . . . . 415 ALA CB . 51831 1
119 . 1 . 1 30 30 ALA N N 15 123.726 0.3 . 1 . . . . . 415 ALA N . 51831 1
120 . 1 . 1 31 31 SER H H 1 8.128 0.020 . 1 . . . . . 416 SER H . 51831 1
121 . 1 . 1 31 31 SER C C 13 175.240 0.3 . 1 . . . . . 416 SER C . 51831 1
122 . 1 . 1 31 31 SER CA C 13 58.785 0.3 . 1 . . . . . 416 SER CA . 51831 1
123 . 1 . 1 31 31 SER CB C 13 63.635 0.3 . 1 . . . . . 416 SER CB . 51831 1
124 . 1 . 1 31 31 SER N N 15 113.784 0.3 . 1 . . . . . 416 SER N . 51831 1
125 . 1 . 1 32 32 SER H H 1 8.240 0.020 . 1 . . . . . 417 SER H . 51831 1
126 . 1 . 1 32 32 SER C C 13 174.965 0.3 . 1 . . . . . 417 SER C . 51831 1
127 . 1 . 1 32 32 SER CA C 13 59.300 0.3 . 1 . . . . . 417 SER CA . 51831 1
128 . 1 . 1 32 32 SER CB C 13 63.378 0.3 . 1 . . . . . 417 SER CB . 51831 1
129 . 1 . 1 32 32 SER N N 15 117.359 0.3 . 1 . . . . . 417 SER N . 51831 1
130 . 1 . 1 33 33 GLU H H 1 8.362 0.020 . 1 . . . . . 418 GLU H . 51831 1
131 . 1 . 1 33 33 GLU C C 13 177.217 0.3 . 1 . . . . . 418 GLU C . 51831 1
132 . 1 . 1 33 33 GLU CA C 13 57.288 0.3 . 1 . . . . . 418 GLU CA . 51831 1
133 . 1 . 1 33 33 GLU CB C 13 29.828 0.3 . 1 . . . . . 418 GLU CB . 51831 1
134 . 1 . 1 33 33 GLU N N 15 122.236 0.3 . 1 . . . . . 418 GLU N . 51831 1
135 . 1 . 1 34 34 VAL H H 1 8.027 0.020 . 1 . . . . . 419 VAL H . 51831 1
136 . 1 . 1 34 34 VAL C C 13 177.104 0.3 . 1 . . . . . 419 VAL C . 51831 1
137 . 1 . 1 34 34 VAL CA C 13 63.493 0.3 . 1 . . . . . 419 VAL CA . 51831 1
138 . 1 . 1 34 34 VAL CB C 13 32.110 0.3 . 1 . . . . . 419 VAL CB . 51831 1
139 . 1 . 1 34 34 VAL N N 15 120.020 0.3 . 1 . . . . . 419 VAL N . 51831 1
140 . 1 . 1 35 35 THR H H 1 8.040 0.020 . 1 . . . . . 420 THR H . 51831 1
141 . 1 . 1 35 35 THR C C 13 175.303 0.3 . 1 . . . . . 420 THR C . 51831 1
142 . 1 . 1 35 35 THR CA C 13 62.566 0.3 . 1 . . . . . 420 THR CA . 51831 1
143 . 1 . 1 35 35 THR CB C 13 69.744 0.3 . 1 . . . . . 420 THR CB . 51831 1
144 . 1 . 1 35 35 THR N N 15 115.932 0.3 . 1 . . . . . 420 THR N . 51831 1
145 . 1 . 1 36 36 ALA H H 1 8.233 0.020 . 1 . . . . . 421 ALA H . 51831 1
146 . 1 . 1 36 36 ALA C C 13 178.518 0.3 . 1 . . . . . 421 ALA C . 51831 1
147 . 1 . 1 36 36 ALA CA C 13 53.864 0.3 . 1 . . . . . 421 ALA CA . 51831 1
148 . 1 . 1 36 36 ALA CB C 13 18.488 0.3 . 1 . . . . . 421 ALA CB . 51831 1
149 . 1 . 1 36 36 ALA N N 15 125.063 0.3 . 1 . . . . . 421 ALA N . 51831 1
150 . 1 . 1 37 37 ALA H H 1 8.114 0.020 . 1 . . . . . 422 ALA H . 51831 1
151 . 1 . 1 37 37 ALA C C 13 178.768 0.3 . 1 . . . . . 422 ALA C . 51831 1
152 . 1 . 1 37 37 ALA CA C 13 53.480 0.3 . 1 . . . . . 422 ALA CA . 51831 1
153 . 1 . 1 37 37 ALA CB C 13 18.821 0.3 . 1 . . . . . 422 ALA CB . 51831 1
154 . 1 . 1 37 37 ALA N N 15 121.000 0.3 . 1 . . . . . 422 ALA N . 51831 1
155 . 1 . 1 38 38 SER H H 1 8.013 0.020 . 1 . . . . . 423 SER H . 51831 1
156 . 1 . 1 38 38 SER C C 13 175.441 0.3 . 1 . . . . . 423 SER C . 51831 1
157 . 1 . 1 38 38 SER CA C 13 59.585 0.3 . 1 . . . . . 423 SER CA . 51831 1
158 . 1 . 1 38 38 SER CB C 13 63.459 0.3 . 1 . . . . . 423 SER CB . 51831 1
159 . 1 . 1 38 38 SER N N 15 113.594 0.3 . 1 . . . . . 423 SER N . 51831 1
160 . 1 . 1 39 39 ARG H H 1 8.141 0.020 . 1 . . . . . 424 ARG H . 51831 1
161 . 1 . 1 39 39 ARG C C 13 177.167 0.3 . 1 . . . . . 424 ARG C . 51831 1
162 . 1 . 1 39 39 ARG CA C 13 57.502 0.3 . 1 . . . . . 424 ARG CA . 51831 1
163 . 1 . 1 39 39 ARG CB C 13 30.399 0.3 . 1 . . . . . 424 ARG CB . 51831 1
164 . 1 . 1 39 39 ARG N N 15 121.841 0.3 . 1 . . . . . 424 ARG N . 51831 1
165 . 1 . 1 40 40 GLU H H 1 8.210 0.020 . 1 . . . . . 425 GLU H . 51831 1
166 . 1 . 1 40 40 GLU C C 13 177.054 0.3 . 1 . . . . . 425 GLU C . 51831 1
167 . 1 . 1 40 40 GLU CA C 13 57.074 0.3 . 1 . . . . . 425 GLU CA . 51831 1
168 . 1 . 1 40 40 GLU CB C 13 29.971 0.3 . 1 . . . . . 425 GLU CB . 51831 1
169 . 1 . 1 40 40 GLU N N 15 119.460 0.3 . 1 . . . . . 425 GLU N . 51831 1
170 . 1 . 1 41 41 ARG H H 1 8.012 0.020 . 1 . . . . . 426 ARG H . 51831 1
171 . 1 . 1 41 41 ARG C C 13 176.416 0.3 . 1 . . . . . 426 ARG C . 51831 1
172 . 1 . 1 41 41 ARG CA C 13 56.823 0.3 . 1 . . . . . 426 ARG CA . 51831 1
173 . 1 . 1 41 41 ARG CB C 13 30.399 0.3 . 1 . . . . . 426 ARG CB . 51831 1
174 . 1 . 1 41 41 ARG N N 15 119.493 0.3 . 1 . . . . . 426 ARG N . 51831 1
175 . 1 . 1 42 42 LEU H H 1 7.874 0.020 . 1 . . . . . 427 LEU H . 51831 1
176 . 1 . 1 42 42 LEU C C 13 176.892 0.3 . 1 . . . . . 427 LEU C . 51831 1
177 . 1 . 1 42 42 LEU CA C 13 55.419 0.3 . 1 . . . . . 427 LEU CA . 51831 1
178 . 1 . 1 42 42 LEU CB C 13 42.262 0.3 . 1 . . . . . 427 LEU CB . 51831 1
179 . 1 . 1 42 42 LEU N N 15 120.300 0.3 . 1 . . . . . 427 LEU N . 51831 1
180 . 1 . 1 43 43 HIS H H 1 8.104 0.020 . 1 . . . . . 428 HIS H . 51831 1
181 . 1 . 1 43 43 HIS C C 13 173.852 0.3 . 1 . . . . . 428 HIS C . 51831 1
182 . 1 . 1 43 43 HIS CA C 13 55.291 0.3 . 1 . . . . . 428 HIS CA . 51831 1
183 . 1 . 1 43 43 HIS CB C 13 28.901 0.3 . 1 . . . . . 428 HIS CB . 51831 1
184 . 1 . 1 43 43 HIS N N 15 117.881 0.3 . 1 . . . . . 428 HIS N . 51831 1
185 . 1 . 1 44 44 ARG H H 1 8.028 0.020 . 1 . . . . . 429 ARG H . 51831 1
186 . 1 . 1 44 44 ARG C C 13 174.690 0.3 . 1 . . . . . 429 ARG C . 51831 1
187 . 1 . 1 44 44 ARG CA C 13 56.004 0.3 . 1 . . . . . 429 ARG CA . 51831 1
188 . 1 . 1 44 44 ARG CB C 13 30.827 0.3 . 1 . . . . . 429 ARG CB . 51831 1
189 . 1 . 1 44 44 ARG N N 15 121.823 0.3 . 1 . . . . . 429 ARG N . 51831 1
190 . 1 . 1 45 45 TRP H H 1 7.605 0.020 . 1 . . . . . 430 TRP H . 51831 1
191 . 1 . 1 45 45 TRP C C 13 180.657 0.3 . 1 . . . . . 430 TRP C . 51831 1
192 . 1 . 1 45 45 TRP CA C 13 58.571 0.3 . 1 . . . . . 430 TRP CA . 51831 1
193 . 1 . 1 45 45 TRP CB C 13 30.185 0.3 . 1 . . . . . 430 TRP CB . 51831 1
194 . 1 . 1 45 45 TRP N N 15 126.489 0.3 . 1 . . . . . 430 TRP N . 51831 1
stop_
save_