###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27630
_Assigned_chem_shift_list.ID 1
_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 $chemical_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' . . . 27630 1
2 '3D HNCA' . . . 27630 1
3 '3D HNCO' . . . 27630 1
4 '3D HNCACB' . . . 27630 1
5 '3D HN(CO)CA' . . . 27630 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
2 $CcpNMR_Analysis . . 27630 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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 ALA C C 13 177.959 0.000 . 1 . . . . . 324 ALA C . 27630 1
2 . 1 1 2 2 ALA CA C 13 52.438 0.025 . 1 . . . . . 324 ALA CA . 27630 1
3 . 1 1 2 2 ALA CB C 13 18.668 0.000 . 1 . . . . . 324 ALA CB . 27630 1
4 . 1 1 3 3 MET H H 1 8.514 0.003 . 1 . . . . . 325 MET H . 27630 1
5 . 1 1 3 3 MET C C 13 176.446 0.000 . 1 . . . . . 325 MET C . 27630 1
6 . 1 1 3 3 MET CA C 13 55.239 0.041 . 1 . . . . . 325 MET CA . 27630 1
7 . 1 1 3 3 MET CB C 13 31.866 0.045 . 1 . . . . . 325 MET CB . 27630 1
8 . 1 1 3 3 MET N N 15 119.147 0.016 . 1 . . . . . 325 MET N . 27630 1
9 . 1 1 4 4 GLU H H 1 8.394 0.002 . 1 . . . . . 326 GLU H . 27630 1
10 . 1 1 4 4 GLU C C 13 176.444 0.000 . 1 . . . . . 326 GLU C . 27630 1
11 . 1 1 4 4 GLU CA C 13 56.258 0.023 . 1 . . . . . 326 GLU CA . 27630 1
12 . 1 1 4 4 GLU CB C 13 29.421 0.012 . 1 . . . . . 326 GLU CB . 27630 1
13 . 1 1 4 4 GLU N N 15 121.911 0.060 . 1 . . . . . 326 GLU N . 27630 1
14 . 1 1 5 5 ALA H H 1 8.349 0.001 . 1 . . . . . 327 ALA H . 27630 1
15 . 1 1 5 5 ALA C C 13 177.640 0.000 . 1 . . . . . 327 ALA C . 27630 1
16 . 1 1 5 5 ALA CA C 13 52.228 0.032 . 1 . . . . . 327 ALA CA . 27630 1
17 . 1 1 5 5 ALA CB C 13 18.648 0.000 . 1 . . . . . 327 ALA CB . 27630 1
18 . 1 1 5 5 ALA N N 15 124.639 0.017 . 1 . . . . . 327 ALA N . 27630 1
19 . 1 1 6 6 ASP H H 1 8.296 0.001 . 1 . . . . . 328 ASP H . 27630 1
20 . 1 1 6 6 ASP C C 13 177.064 0.000 . 1 . . . . . 328 ASP C . 27630 1
21 . 1 1 6 6 ASP CA C 13 54.102 0.031 . 1 . . . . . 328 ASP CA . 27630 1
22 . 1 1 6 6 ASP CB C 13 40.577 0.010 . 1 . . . . . 328 ASP CB . 27630 1
23 . 1 1 6 6 ASP N N 15 119.414 0.029 . 1 . . . . . 328 ASP N . 27630 1
24 . 1 1 7 7 GLY H H 1 8.355 0.002 . 1 . . . . . 329 GLY H . 27630 1
25 . 1 1 7 7 GLY C C 13 175.165 0.000 . 1 . . . . . 329 GLY C . 27630 1
26 . 1 1 7 7 GLY CA C 13 45.241 0.014 . 1 . . . . . 329 GLY CA . 27630 1
27 . 1 1 7 7 GLY N N 15 109.592 0.018 . 1 . . . . . 329 GLY N . 27630 1
28 . 1 1 8 8 GLY H H 1 8.361 0.002 . 1 . . . . . 330 GLY H . 27630 1
29 . 1 1 8 8 GLY C C 13 174.767 0.000 . 1 . . . . . 330 GLY C . 27630 1
30 . 1 1 8 8 GLY CA C 13 45.067 0.068 . 1 . . . . . 330 GLY CA . 27630 1
31 . 1 1 8 8 GLY N N 15 108.984 0.079 . 1 . . . . . 330 GLY N . 27630 1
32 . 1 1 9 9 GLY H H 1 8.259 0.005 . 1 . . . . . 331 GLY H . 27630 1
33 . 1 1 9 9 GLY C C 13 173.897 0.000 . 1 . . . . . 331 GLY C . 27630 1
34 . 1 1 9 9 GLY CA C 13 44.555 0.054 . 1 . . . . . 331 GLY CA . 27630 1
35 . 1 1 9 9 GLY N N 15 108.692 0.033 . 1 . . . . . 331 GLY N . 27630 1
36 . 1 1 10 10 GLU H H 1 8.253 0.001 . 1 . . . . . 332 GLU H . 27630 1
37 . 1 1 10 10 GLU CA C 13 54.007 0.014 . 1 . . . . . 332 GLU CA . 27630 1
38 . 1 1 10 10 GLU CB C 13 28.818 0.000 . 1 . . . . . 332 GLU CB . 27630 1
39 . 1 1 10 10 GLU N N 15 121.789 0.017 . 1 . . . . . 332 GLU N . 27630 1
40 . 1 1 11 11 PRO C C 13 176.840 0.000 . 1 . . . . . 333 PRO C . 27630 1
41 . 1 1 11 11 PRO CA C 13 62.613 0.068 . 1 . . . . . 333 PRO CA . 27630 1
42 . 1 1 12 12 LYS H H 1 8.388 0.004 . 1 . . . . . 334 LYS H . 27630 1
43 . 1 1 12 12 LYS C C 13 176.531 0.000 . 1 . . . . . 334 LYS C . 27630 1
44 . 1 1 12 12 LYS CA C 13 55.605 0.045 . 1 . . . . . 334 LYS CA . 27630 1
45 . 1 1 12 12 LYS N N 15 122.020 0.012 . 1 . . . . . 334 LYS N . 27630 1
46 . 1 1 13 13 VAL H H 1 8.221 0.001 . 1 . . . . . 335 VAL H . 27630 1
47 . 1 1 13 13 VAL C C 13 174.979 0.000 . 1 . . . . . 335 VAL C . 27630 1
48 . 1 1 13 13 VAL CA C 13 61.618 0.036 . 1 . . . . . 335 VAL CA . 27630 1
49 . 1 1 13 13 VAL CB C 13 31.917 0.000 . 1 . . . . . 335 VAL CB . 27630 1
50 . 1 1 13 13 VAL N N 15 123.048 0.026 . 1 . . . . . 335 VAL N . 27630 1
51 . 1 1 14 14 VAL H H 1 8.036 0.002 . 1 . . . . . 336 VAL H . 27630 1
52 . 1 1 14 14 VAL C C 13 175.494 0.000 . 1 . . . . . 336 VAL C . 27630 1
53 . 1 1 14 14 VAL CA C 13 61.203 0.044 . 1 . . . . . 336 VAL CA . 27630 1
54 . 1 1 14 14 VAL CB C 13 32.303 0.046 . 1 . . . . . 336 VAL CB . 27630 1
55 . 1 1 14 14 VAL N N 15 124.630 0.043 . 1 . . . . . 336 VAL N . 27630 1
56 . 1 1 15 15 PHE H H 1 8.555 0.002 . 1 . . . . . 337 PHE H . 27630 1
57 . 1 1 15 15 PHE C C 13 175.555 0.000 . 1 . . . . . 337 PHE C . 27630 1
58 . 1 1 15 15 PHE CA C 13 56.877 0.025 . 1 . . . . . 337 PHE CA . 27630 1
59 . 1 1 15 15 PHE CB C 13 38.553 0.000 . 1 . . . . . 337 PHE CB . 27630 1
60 . 1 1 15 15 PHE N N 15 124.251 0.035 . 1 . . . . . 337 PHE N . 27630 1
61 . 1 1 16 16 LYS H H 1 8.616 0.003 . 1 . . . . . 338 LYS H . 27630 1
62 . 1 1 16 16 LYS C C 13 175.125 0.000 . 1 . . . . . 338 LYS C . 27630 1
63 . 1 1 16 16 LYS CA C 13 55.421 0.027 . 1 . . . . . 338 LYS CA . 27630 1
64 . 1 1 16 16 LYS N N 15 123.635 0.056 . 1 . . . . . 338 LYS N . 27630 1
65 . 1 1 17 17 GLU H H 1 8.435 0.001 . 1 . . . . . 339 GLU H . 27630 1
66 . 1 1 17 17 GLU CA C 13 55.385 0.024 . 1 . . . . . 339 GLU CA . 27630 1
67 . 1 1 17 17 GLU N N 15 122.167 0.054 . 1 . . . . . 339 GLU N . 27630 1
68 . 1 1 18 18 LYS H H 1 9.021 0.004 . 1 . . . . . 340 LYS H . 27630 1
69 . 1 1 18 18 LYS C C 13 175.680 0.000 . 1 . . . . . 340 LYS C . 27630 1
70 . 1 1 18 18 LYS CA C 13 56.321 0.036 . 1 . . . . . 340 LYS CA . 27630 1
71 . 1 1 18 18 LYS N N 15 125.388 0.043 . 1 . . . . . 340 LYS N . 27630 1
72 . 1 1 19 19 THR H H 1 8.125 0.003 . 1 . . . . . 341 THR H . 27630 1
73 . 1 1 19 19 THR C C 13 173.610 0.000 . 1 . . . . . 341 THR C . 27630 1
74 . 1 1 19 19 THR CA C 13 59.739 0.056 . 1 . . . . . 341 THR CA . 27630 1
75 . 1 1 19 19 THR CB C 13 70.564 0.079 . 1 . . . . . 341 THR CB . 27630 1
76 . 1 1 19 19 THR N N 15 113.594 0.077 . 1 . . . . . 341 THR N . 27630 1
77 . 1 1 20 20 VAL H H 1 8.764 0.008 . 1 . . . . . 342 VAL H . 27630 1
78 . 1 1 20 20 VAL C C 13 176.106 0.000 . 1 . . . . . 342 VAL C . 27630 1
79 . 1 1 20 20 VAL CA C 13 62.143 0.030 . 1 . . . . . 342 VAL CA . 27630 1
80 . 1 1 20 20 VAL N N 15 123.220 0.069 . 1 . . . . . 342 VAL N . 27630 1
81 . 1 1 21 21 THR H H 1 8.510 0.004 . 1 . . . . . 343 THR H . 27630 1
82 . 1 1 21 21 THR CA C 13 60.696 0.079 . 1 . . . . . 343 THR CA . 27630 1
83 . 1 1 21 21 THR N N 15 118.218 0.059 . 1 . . . . . 343 THR N . 27630 1
84 . 1 1 22 22 SER H H 1 7.774 0.013 . 1 . . . . . 344 SER H . 27630 1
85 . 1 1 22 22 SER C C 13 174.519 0.000 . 1 . . . . . 344 SER C . 27630 1
86 . 1 1 22 22 SER CA C 13 57.270 0.030 . 1 . . . . . 344 SER CA . 27630 1
87 . 1 1 22 22 SER N N 15 114.078 0.027 . 1 . . . . . 344 SER N . 27630 1
88 . 1 1 23 23 LEU H H 1 8.783 0.001 . 1 . . . . . 345 LEU H . 27630 1
89 . 1 1 23 23 LEU C C 13 177.613 0.000 . 1 . . . . . 345 LEU C . 27630 1
90 . 1 1 23 23 LEU CA C 13 54.658 0.109 . 1 . . . . . 345 LEU CA . 27630 1
91 . 1 1 23 23 LEU CB C 13 41.578 0.000 . 1 . . . . . 345 LEU CB . 27630 1
92 . 1 1 23 23 LEU N N 15 122.689 0.032 . 1 . . . . . 345 LEU N . 27630 1
93 . 1 1 24 24 GLY H H 1 8.307 0.001 . 1 . . . . . 346 GLY H . 27630 1
94 . 1 1 24 24 GLY C C 13 174.974 0.000 . 1 . . . . . 346 GLY C . 27630 1
95 . 1 1 24 24 GLY CA C 13 45.106 0.023 . 1 . . . . . 346 GLY CA . 27630 1
96 . 1 1 24 24 GLY N N 15 107.515 0.036 . 1 . . . . . 346 GLY N . 27630 1
97 . 1 1 25 25 VAL H H 1 8.204 0.006 . 1 . . . . . 347 VAL H . 27630 1
98 . 1 1 25 25 VAL C C 13 176.367 0.000 . 1 . . . . . 347 VAL C . 27630 1
99 . 1 1 25 25 VAL CA C 13 62.154 0.040 . 1 . . . . . 347 VAL CA . 27630 1
100 . 1 1 25 25 VAL CB C 13 31.442 0.000 . 1 . . . . . 347 VAL CB . 27630 1
101 . 1 1 25 25 VAL N N 15 119.194 0.028 . 1 . . . . . 347 VAL N . 27630 1
102 . 1 1 26 26 MET H H 1 8.768 0.003 . 1 . . . . . 348 MET H . 27630 1
103 . 1 1 26 26 MET C C 13 175.987 0.000 . 1 . . . . . 348 MET C . 27630 1
104 . 1 1 26 26 MET CA C 13 55.980 0.048 . 1 . . . . . 348 MET CA . 27630 1
105 . 1 1 26 26 MET N N 15 123.292 0.009 . 1 . . . . . 348 MET N . 27630 1
106 . 1 1 27 27 ALA H H 1 8.061 0.005 . 1 . . . . . 349 ALA H . 27630 1
107 . 1 1 27 27 ALA C C 13 176.978 0.000 . 1 . . . . . 349 ALA C . 27630 1
108 . 1 1 27 27 ALA CA C 13 51.523 0.081 . 1 . . . . . 349 ALA CA . 27630 1
109 . 1 1 27 27 ALA CB C 13 18.912 0.022 . 1 . . . . . 349 ALA CB . 27630 1
110 . 1 1 27 27 ALA N N 15 122.601 0.040 . 1 . . . . . 349 ALA N . 27630 1
111 . 1 1 28 28 ASP H H 1 7.869 0.007 . 1 . . . . . 350 ASP H . 27630 1
112 . 1 1 28 28 ASP C C 13 177.250 0.000 . 1 . . . . . 350 ASP C . 27630 1
113 . 1 1 28 28 ASP CA C 13 55.068 0.059 . 1 . . . . . 350 ASP CA . 27630 1
114 . 1 1 28 28 ASP CB C 13 40.146 0.044 . 1 . . . . . 350 ASP CB . 27630 1
115 . 1 1 28 28 ASP N N 15 119.296 0.051 . 1 . . . . . 350 ASP N . 27630 1
116 . 1 1 29 29 GLY H H 1 8.424 0.005 . 1 . . . . . 351 GLY H . 27630 1
117 . 1 1 29 29 GLY C C 13 174.073 0.000 . 1 . . . . . 351 GLY C . 27630 1
118 . 1 1 29 29 GLY CA C 13 45.057 0.008 . 1 . . . . . 351 GLY CA . 27630 1
119 . 1 1 29 29 GLY N N 15 109.020 0.025 . 1 . . . . . 351 GLY N . 27630 1
120 . 1 1 30 30 VAL H H 1 7.684 0.002 . 1 . . . . . 352 VAL H . 27630 1
121 . 1 1 30 30 VAL C C 13 175.556 0.000 . 1 . . . . . 352 VAL C . 27630 1
122 . 1 1 30 30 VAL CA C 13 61.188 0.022 . 1 . . . . . 352 VAL CA . 27630 1
123 . 1 1 30 30 VAL CB C 13 31.812 0.050 . 1 . . . . . 352 VAL CB . 27630 1
124 . 1 1 30 30 VAL N N 15 120.387 0.011 . 1 . . . . . 352 VAL N . 27630 1
125 . 1 1 31 31 ALA H H 1 8.638 0.003 . 1 . . . . . 353 ALA H . 27630 1
126 . 1 1 31 31 ALA CA C 13 50.196 0.002 . 1 . . . . . 353 ALA CA . 27630 1
127 . 1 1 31 31 ALA CB C 13 17.696 0.000 . 1 . . . . . 353 ALA CB . 27630 1
128 . 1 1 31 31 ALA N N 15 130.367 0.038 . 1 . . . . . 353 ALA N . 27630 1
129 . 1 1 32 32 PRO C C 13 176.012 0.000 . 1 . . . . . 354 PRO C . 27630 1
130 . 1 1 32 32 PRO CA C 13 59.281 0.004 . 1 . . . . . 354 PRO CA . 27630 1
131 . 1 1 33 33 VAL H H 1 8.681 0.003 . 1 . . . . . 355 VAL H . 27630 1
132 . 1 1 33 33 VAL C C 13 176.358 0.000 . 1 . . . . . 355 VAL C . 27630 1
133 . 1 1 33 33 VAL CA C 13 59.068 0.040 . 1 . . . . . 355 VAL CA . 27630 1
134 . 1 1 33 33 VAL N N 15 123.765 0.065 . 1 . . . . . 355 VAL N . 27630 1
135 . 1 1 34 34 PHE H H 1 8.695 0.002 . 1 . . . . . 356 PHE H . 27630 1
136 . 1 1 34 34 PHE C C 13 176.275 0.000 . 1 . . . . . 356 PHE C . 27630 1
137 . 1 1 34 34 PHE CA C 13 55.876 0.030 . 1 . . . . . 356 PHE CA . 27630 1
138 . 1 1 34 34 PHE CB C 13 38.502 0.000 . 1 . . . . . 356 PHE CB . 27630 1
139 . 1 1 34 34 PHE N N 15 124.685 0.057 . 1 . . . . . 356 PHE N . 27630 1
140 . 1 1 35 35 LYS H H 1 8.460 0.002 . 1 . . . . . 357 LYS H . 27630 1
141 . 1 1 35 35 LYS CA C 13 55.717 0.017 . 1 . . . . . 357 LYS CA . 27630 1
142 . 1 1 35 35 LYS CB C 13 32.005 0.000 . 1 . . . . . 357 LYS CB . 27630 1
143 . 1 1 35 35 LYS N N 15 123.455 0.035 . 1 . . . . . 357 LYS N . 27630 1
144 . 1 1 36 36 LYS C C 13 176.701 0.000 . 1 . . . . . 358 LYS C . 27630 1
145 . 1 1 36 36 LYS CA C 13 55.560 0.006 . 1 . . . . . 358 LYS CA . 27630 1
146 . 1 1 36 36 LYS CB C 13 31.838 0.000 . 1 . . . . . 358 LYS CB . 27630 1
147 . 1 1 37 37 ARG H H 1 8.737 0.001 . 1 . . . . . 359 ARG H . 27630 1
148 . 1 1 37 37 ARG CA C 13 55.261 0.042 . 1 . . . . . 359 ARG CA . 27630 1
149 . 1 1 37 37 ARG CB C 13 30.221 0.000 . 1 . . . . . 359 ARG CB . 27630 1
150 . 1 1 37 37 ARG N N 15 124.365 0.103 . 1 . . . . . 359 ARG N . 27630 1
151 . 1 1 38 38 ARG H H 1 8.771 0.004 . 1 . . . . . 360 ARG H . 27630 1
152 . 1 1 38 38 ARG C C 13 176.731 0.000 . 1 . . . . . 360 ARG C . 27630 1
153 . 1 1 38 38 ARG CA C 13 55.964 0.017 . 1 . . . . . 360 ARG CA . 27630 1
154 . 1 1 38 38 ARG CB C 13 29.946 0.047 . 1 . . . . . 360 ARG CB . 27630 1
155 . 1 1 38 38 ARG N N 15 123.314 0.022 . 1 . . . . . 360 ARG N . 27630 1
156 . 1 1 39 39 THR H H 1 8.273 0.002 . 1 . . . . . 361 THR H . 27630 1
157 . 1 1 39 39 THR C C 13 174.867 0.000 . 1 . . . . . 361 THR C . 27630 1
158 . 1 1 39 39 THR CA C 13 61.511 0.045 . 1 . . . . . 361 THR CA . 27630 1
159 . 1 1 39 39 THR CB C 13 69.035 0.000 . 1 . . . . . 361 THR CB . 27630 1
160 . 1 1 39 39 THR N N 15 115.902 0.016 . 1 . . . . . 361 THR N . 27630 1
161 . 1 1 40 40 GLU H H 1 8.650 0.002 . 1 . . . . . 362 GLU H . 27630 1
162 . 1 1 40 40 GLU C C 13 176.531 0.000 . 1 . . . . . 362 GLU C . 27630 1
163 . 1 1 40 40 GLU CA C 13 56.461 0.042 . 1 . . . . . 362 GLU CA . 27630 1
164 . 1 1 40 40 GLU CB C 13 29.347 0.009 . 1 . . . . . 362 GLU CB . 27630 1
165 . 1 1 40 40 GLU N N 15 122.879 0.046 . 1 . . . . . 362 GLU N . 27630 1
166 . 1 1 41 41 ASN H H 1 8.466 0.003 . 1 . . . . . 363 ASN H . 27630 1
167 . 1 1 41 41 ASN C C 13 176.082 0.000 . 1 . . . . . 363 ASN C . 27630 1
168 . 1 1 41 41 ASN CA C 13 53.413 0.009 . 1 . . . . . 363 ASN CA . 27630 1
169 . 1 1 41 41 ASN CB C 13 38.164 0.035 . 1 . . . . . 363 ASN CB . 27630 1
170 . 1 1 41 41 ASN N N 15 119.308 0.024 . 1 . . . . . 363 ASN N . 27630 1
171 . 1 1 42 42 GLY H H 1 8.501 0.001 . 1 . . . . . 364 GLY H . 27630 1
172 . 1 1 42 42 GLY C C 13 174.471 0.000 . 1 . . . . . 364 GLY C . 27630 1
173 . 1 1 42 42 GLY CA C 13 45.349 0.020 . 1 . . . . . 364 GLY CA . 27630 1
174 . 1 1 42 42 GLY N N 15 109.537 0.042 . 1 . . . . . 364 GLY N . 27630 1
175 . 1 1 43 43 LYS H H 1 7.998 0.002 . 1 . . . . . 365 LYS H . 27630 1
176 . 1 1 43 43 LYS C C 13 176.814 0.000 . 1 . . . . . 365 LYS C . 27630 1
177 . 1 1 43 43 LYS CA C 13 55.901 0.053 . 1 . . . . . 365 LYS CA . 27630 1
178 . 1 1 43 43 LYS CB C 13 32.078 0.008 . 1 . . . . . 365 LYS CB . 27630 1
179 . 1 1 43 43 LYS N N 15 120.595 0.015 . 1 . . . . . 365 LYS N . 27630 1
180 . 1 1 44 44 SER H H 1 8.429 0.004 . 1 . . . . . 366 SER H . 27630 1
181 . 1 1 44 44 SER C C 13 174.459 0.000 . 1 . . . . . 366 SER C . 27630 1
182 . 1 1 44 44 SER CA C 13 57.905 0.021 . 1 . . . . . 366 SER CA . 27630 1
183 . 1 1 44 44 SER CB C 13 63.030 0.021 . 1 . . . . . 366 SER CB . 27630 1
184 . 1 1 44 44 SER N N 15 117.006 0.025 . 1 . . . . . 366 SER N . 27630 1
185 . 1 1 45 45 ARG H H 1 8.312 0.004 . 1 . . . . . 367 ARG H . 27630 1
186 . 1 1 45 45 ARG C C 13 175.344 0.000 . 1 . . . . . 367 ARG C . 27630 1
187 . 1 1 45 45 ARG CA C 13 55.948 0.039 . 1 . . . . . 367 ARG CA . 27630 1
188 . 1 1 45 45 ARG CB C 13 30.380 0.000 . 1 . . . . . 367 ARG CB . 27630 1
189 . 1 1 45 45 ARG N N 15 123.338 0.112 . 1 . . . . . 367 ARG N . 27630 1
190 . 1 1 46 46 ASN H H 1 8.330 0.001 . 1 . . . . . 368 ASN H . 27630 1
191 . 1 1 46 46 ASN C C 13 173.787 0.000 . 1 . . . . . 368 ASN C . 27630 1
192 . 1 1 46 46 ASN CA C 13 52.924 0.047 . 1 . . . . . 368 ASN CA . 27630 1
193 . 1 1 46 46 ASN CB C 13 38.734 0.000 . 1 . . . . . 368 ASN CB . 27630 1
194 . 1 1 46 46 ASN N N 15 121.893 0.060 . 1 . . . . . 368 ASN N . 27630 1
195 . 1 1 47 47 LEU H H 1 8.098 0.003 . 1 . . . . . 369 LEU H . 27630 1
196 . 1 1 47 47 LEU C C 13 178.419 0.000 . 1 . . . . . 369 LEU C . 27630 1
197 . 1 1 47 47 LEU CA C 13 53.863 0.029 . 1 . . . . . 369 LEU CA . 27630 1
198 . 1 1 47 47 LEU CB C 13 41.034 0.065 . 1 . . . . . 369 LEU CB . 27630 1
199 . 1 1 47 47 LEU N N 15 121.212 0.041 . 1 . . . . . 369 LEU N . 27630 1
200 . 1 1 48 48 ARG H H 1 8.242 0.002 . 1 . . . . . 370 ARG H . 27630 1
201 . 1 1 48 48 ARG C C 13 176.215 0.000 . 1 . . . . . 370 ARG C . 27630 1
202 . 1 1 48 48 ARG CA C 13 56.580 0.033 . 1 . . . . . 370 ARG CA . 27630 1
203 . 1 1 48 48 ARG N N 15 122.576 0.042 . 1 . . . . . 370 ARG N . 27630 1
204 . 1 1 49 49 GLN H H 1 8.749 0.004 . 1 . . . . . 371 GLN H . 27630 1
205 . 1 1 49 49 GLN C C 13 176.180 0.000 . 1 . . . . . 371 GLN C . 27630 1
206 . 1 1 49 49 GLN CA C 13 54.781 0.062 . 1 . . . . . 371 GLN CA . 27630 1
207 . 1 1 49 49 GLN CB C 13 29.294 0.000 . 1 . . . . . 371 GLN CB . 27630 1
208 . 1 1 49 49 GLN N N 15 125.326 0.077 . 1 . . . . . 371 GLN N . 27630 1
209 . 1 1 50 50 ARG H H 1 8.647 0.004 . 1 . . . . . 372 ARG H . 27630 1
210 . 1 1 50 50 ARG C C 13 177.345 0.000 . 1 . . . . . 372 ARG C . 27630 1
211 . 1 1 50 50 ARG CA C 13 56.561 0.030 . 1 . . . . . 372 ARG CA . 27630 1
212 . 1 1 50 50 ARG CB C 13 30.275 0.002 . 1 . . . . . 372 ARG CB . 27630 1
213 . 1 1 50 50 ARG N N 15 123.195 0.045 . 1 . . . . . 372 ARG N . 27630 1
214 . 1 1 51 51 GLY H H 1 8.603 0.002 . 1 . . . . . 373 GLY H . 27630 1
215 . 1 1 51 51 GLY C C 13 173.831 0.000 . 1 . . . . . 373 GLY C . 27630 1
216 . 1 1 51 51 GLY CA C 13 44.646 0.007 . 1 . . . . . 373 GLY CA . 27630 1
217 . 1 1 51 51 GLY N N 15 110.683 0.016 . 1 . . . . . 373 GLY N . 27630 1
218 . 1 1 52 52 ASP H H 1 8.353 0.001 . 1 . . . . . 374 ASP H . 27630 1
219 . 1 1 52 52 ASP C C 13 176.166 0.000 . 1 . . . . . 374 ASP C . 27630 1
220 . 1 1 52 52 ASP CA C 13 53.999 0.014 . 1 . . . . . 374 ASP CA . 27630 1
221 . 1 1 52 52 ASP CB C 13 40.803 0.000 . 1 . . . . . 374 ASP CB . 27630 1
222 . 1 1 52 52 ASP N N 15 120.190 0.011 . 1 . . . . . 374 ASP N . 27630 1
223 . 1 1 53 53 ASP H H 1 8.439 0.001 . 1 . . . . . 375 ASP H . 27630 1
224 . 1 1 53 53 ASP C C 13 175.291 0.000 . 1 . . . . . 375 ASP C . 27630 1
225 . 1 1 53 53 ASP CA C 13 54.064 0.019 . 1 . . . . . 375 ASP CA . 27630 1
226 . 1 1 53 53 ASP CB C 13 40.478 0.051 . 1 . . . . . 375 ASP CB . 27630 1
227 . 1 1 53 53 ASP N N 15 120.605 0.022 . 1 . . . . . 375 ASP N . 27630 1
228 . 1 1 54 54 GLN H H 1 7.875 0.001 . 1 . . . . . 376 GLN H . 27630 1
229 . 1 1 54 54 GLN CA C 13 57.006 0.014 . 1 . . . . . 376 GLN CA . 27630 1
230 . 1 1 54 54 GLN CB C 13 29.761 0.000 . 1 . . . . . 376 GLN CB . 27630 1
231 . 1 1 54 54 GLN N N 15 124.590 0.014 . 1 . . . . . 376 GLN N . 27630 1
stop_
save_