###################################
# 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 52318
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'ecPDF (1-147) / BB4 (secondary form)'
_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
6 '3D HNCA' . . . 52318 1
7 '3D HN(CO)CA' . . . 52318 1
8 '3D HN(CO)CACB' . . . 52318 1
9 '3D HNCACB' . . . 52318 1
10 '3D HNCO' . . . 52318 1
11 '3D HNCACO' . . . 52318 1
12 '3D H(CCO)NH' . . . 52318 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 . . 52318 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 SER C C 13 174.107 0.000 . 1 . . . . . 1 SER C . 52318 1
2 . 1 . 1 4 4 SER CA C 13 58.274 0.049 . 1 . . . . . 1 SER CA . 52318 1
3 . 1 . 1 4 4 SER CB C 13 63.465 0.020 . 1 . . . . . 1 SER CB . 52318 1
4 . 1 . 1 5 5 VAL H H 1 7.927 0.002 . 1 . . . . . 2 VAL H . 52318 1
5 . 1 . 1 5 5 VAL C C 13 175.978 0.000 . 1 . . . . . 2 VAL C . 52318 1
6 . 1 . 1 5 5 VAL CA C 13 62.838 0.000 . 1 . . . . . 2 VAL CA . 52318 1
7 . 1 . 1 5 5 VAL CB C 13 32.610 0.000 . 1 . . . . . 2 VAL CB . 52318 1
8 . 1 . 1 5 5 VAL N N 15 120.616 0.040 . 1 . . . . . 2 VAL N . 52318 1
9 . 1 . 1 7 7 GLN C C 13 174.844 0.004 . 1 . . . . . 4 GLN C . 52318 1
10 . 1 . 1 7 7 GLN CA C 13 55.020 0.042 . 1 . . . . . 4 GLN CA . 52318 1
11 . 1 . 1 7 7 GLN CG C 13 33.878 0.000 . 1 . . . . . 4 GLN CG . 52318 1
12 . 1 . 1 8 8 VAL H H 1 8.349 0.004 . 1 . . . . . 5 VAL H . 52318 1
13 . 1 . 1 8 8 VAL C C 13 176.388 0.018 . 1 . . . . . 5 VAL C . 52318 1
14 . 1 . 1 8 8 VAL CA C 13 62.119 0.049 . 1 . . . . . 5 VAL CA . 52318 1
15 . 1 . 1 8 8 VAL CB C 13 32.018 0.000 . 1 . . . . . 5 VAL CB . 52318 1
16 . 1 . 1 8 8 VAL N N 15 125.908 0.055 . 1 . . . . . 5 VAL N . 52318 1
17 . 1 . 1 9 9 LEU H H 1 9.091 0.004 . 1 . . . . . 6 LEU H . 52318 1
18 . 1 . 1 9 9 LEU C C 13 176.637 0.000 . 1 . . . . . 6 LEU C . 52318 1
19 . 1 . 1 9 9 LEU CA C 13 54.440 0.023 . 1 . . . . . 6 LEU CA . 52318 1
20 . 1 . 1 9 9 LEU N N 15 127.369 0.109 . 1 . . . . . 6 LEU N . 52318 1
21 . 1 . 1 14 14 GLU C C 13 179.443 0.000 . 1 . . . . . 11 GLU C . 52318 1
22 . 1 . 1 14 14 GLU CA C 13 58.868 0.012 . 1 . . . . . 11 GLU CA . 52318 1
23 . 1 . 1 14 14 GLU CB C 13 29.242 0.034 . 1 . . . . . 11 GLU CB . 52318 1
24 . 1 . 1 14 14 GLU CG C 13 36.128 0.000 . 1 . . . . . 11 GLU CG . 52318 1
25 . 1 . 1 15 15 ARG H H 1 9.446 0.003 . 1 . . . . . 12 ARG H . 52318 1
26 . 1 . 1 15 15 ARG C C 13 177.357 0.007 . 1 . . . . . 12 ARG C . 52318 1
27 . 1 . 1 15 15 ARG CA C 13 59.552 0.000 . 1 . . . . . 12 ARG CA . 52318 1
28 . 1 . 1 15 15 ARG N N 15 122.818 0.008 . 1 . . . . . 12 ARG N . 52318 1
29 . 1 . 1 16 16 LEU H H 1 7.277 0.002 . 1 . . . . . 13 LEU H . 52318 1
30 . 1 . 1 16 16 LEU C C 13 176.418 0.010 . 1 . . . . . 13 LEU C . 52318 1
31 . 1 . 1 16 16 LEU CA C 13 55.887 0.036 . 1 . . . . . 13 LEU CA . 52318 1
32 . 1 . 1 16 16 LEU CB C 13 43.155 0.000 . 1 . . . . . 13 LEU CB . 52318 1
33 . 1 . 1 16 16 LEU CG C 13 26.365 0.000 . 1 . . . . . 13 LEU CG . 52318 1
34 . 1 . 1 16 16 LEU N N 15 113.317 0.025 . 1 . . . . . 13 LEU N . 52318 1
35 . 1 . 1 17 17 ARG H H 1 7.405 0.003 . 1 . . . . . 14 ARG H . 52318 1
36 . 1 . 1 17 17 ARG C C 13 176.059 0.000 . 1 . . . . . 14 ARG C . 52318 1
37 . 1 . 1 17 17 ARG CA C 13 53.737 0.000 . 1 . . . . . 14 ARG CA . 52318 1
38 . 1 . 1 17 17 ARG CB C 13 30.417 0.000 . 1 . . . . . 14 ARG CB . 52318 1
39 . 1 . 1 17 17 ARG N N 15 113.855 0.087 . 1 . . . . . 14 ARG N . 52318 1
40 . 1 . 1 19 19 VAL C C 13 176.755 0.000 . 1 . . . . . 16 VAL C . 52318 1
41 . 1 . 1 20 20 ALA H H 1 8.395 0.001 . 1 . . . . . 17 ALA H . 52318 1
42 . 1 . 1 20 20 ALA C C 13 178.387 0.002 . 1 . . . . . 17 ALA C . 52318 1
43 . 1 . 1 20 20 ALA CA C 13 52.748 0.039 . 1 . . . . . 17 ALA CA . 52318 1
44 . 1 . 1 20 20 ALA CB C 13 20.463 0.032 . 1 . . . . . 17 ALA CB . 52318 1
45 . 1 . 1 20 20 ALA N N 15 131.634 0.102 . 1 . . . . . 17 ALA N . 52318 1
46 . 1 . 1 21 21 LYS H H 1 8.086 0.006 . 1 . . . . . 18 LYS H . 52318 1
47 . 1 . 1 21 21 LYS C C 13 174.414 0.000 . 1 . . . . . 18 LYS C . 52318 1
48 . 1 . 1 21 21 LYS CA C 13 54.050 0.000 . 1 . . . . . 18 LYS CA . 52318 1
49 . 1 . 1 21 21 LYS CB C 13 32.812 0.000 . 1 . . . . . 18 LYS CB . 52318 1
50 . 1 . 1 21 21 LYS N N 15 122.794 0.074 . 1 . . . . . 18 LYS N . 52318 1
51 . 1 . 1 22 22 PRO C C 13 176.614 0.010 . 1 . . . . . 19 PRO C . 52318 1
52 . 1 . 1 22 22 PRO CA C 13 63.128 0.065 . 1 . . . . . 19 PRO CA . 52318 1
53 . 1 . 1 22 22 PRO CB C 13 31.415 0.071 . 1 . . . . . 19 PRO CB . 52318 1
54 . 1 . 1 22 22 PRO CG C 13 27.729 0.000 . 1 . . . . . 19 PRO CG . 52318 1
55 . 1 . 1 23 23 VAL H H 1 10.281 0.004 . 1 . . . . . 20 VAL H . 52318 1
56 . 1 . 1 23 23 VAL C C 13 177.847 0.000 . 1 . . . . . 20 VAL C . 52318 1
57 . 1 . 1 23 23 VAL CA C 13 63.001 0.000 . 1 . . . . . 20 VAL CA . 52318 1
58 . 1 . 1 23 23 VAL N N 15 126.369 0.032 . 1 . . . . . 20 VAL N . 52318 1
59 . 1 . 1 35 35 ASP C C 13 180.047 0.000 . 1 . . . . . 32 ASP C . 52318 1
60 . 1 . 1 35 35 ASP CA C 13 58.223 0.036 . 1 . . . . . 32 ASP CA . 52318 1
61 . 1 . 1 35 35 ASP CB C 13 39.761 0.000 . 1 . . . . . 32 ASP CB . 52318 1
62 . 1 . 1 36 36 ASP H H 1 8.851 0.004 . 1 . . . . . 33 ASP H . 52318 1
63 . 1 . 1 36 36 ASP C C 13 180.183 0.007 . 1 . . . . . 33 ASP C . 52318 1
64 . 1 . 1 36 36 ASP CA C 13 57.584 0.036 . 1 . . . . . 33 ASP CA . 52318 1
65 . 1 . 1 36 36 ASP CB C 13 39.953 0.048 . 1 . . . . . 33 ASP CB . 52318 1
66 . 1 . 1 36 36 ASP N N 15 124.110 0.037 . 1 . . . . . 33 ASP N . 52318 1
67 . 1 . 1 37 37 MET H H 1 9.281 0.005 . 1 . . . . . 34 MET H . 52318 1
68 . 1 . 1 37 37 MET C C 13 178.106 0.002 . 1 . . . . . 34 MET C . 52318 1
69 . 1 . 1 37 37 MET CA C 13 60.654 0.028 . 1 . . . . . 34 MET CA . 52318 1
70 . 1 . 1 37 37 MET N N 15 124.386 0.109 . 1 . . . . . 34 MET N . 52318 1
71 . 1 . 1 38 38 PHE H H 1 8.593 0.002 . 1 . . . . . 35 PHE H . 52318 1
72 . 1 . 1 38 38 PHE C C 13 177.338 0.000 . 1 . . . . . 35 PHE C . 52318 1
73 . 1 . 1 38 38 PHE CA C 13 64.274 0.000 . 1 . . . . . 35 PHE CA . 52318 1
74 . 1 . 1 38 38 PHE CB C 13 38.982 0.000 . 1 . . . . . 35 PHE CB . 52318 1
75 . 1 . 1 38 38 PHE N N 15 118.594 0.125 . 1 . . . . . 35 PHE N . 52318 1
76 . 1 . 1 45 45 GLU C C 13 176.305 0.000 . 1 . . . . . 42 GLU C . 52318 1
77 . 1 . 1 45 45 GLU CA C 13 57.530 0.000 . 1 . . . . . 42 GLU CA . 52318 1
78 . 1 . 1 45 45 GLU CB C 13 26.507 0.000 . 1 . . . . . 42 GLU CB . 52318 1
79 . 1 . 1 46 46 GLY H H 1 8.557 0.004 . 1 . . . . . 43 GLY H . 52318 1
80 . 1 . 1 46 46 GLY CA C 13 44.190 0.000 . 1 . . . . . 43 GLY CA . 52318 1
81 . 1 . 1 46 46 GLY N N 15 103.761 0.002 . 1 . . . . . 43 GLY N . 52318 1
82 . 1 . 1 51 51 ALA C C 13 179.124 0.000 . 1 . . . . . 48 ALA C . 52318 1
83 . 1 . 1 51 51 ALA CA C 13 56.158 0.029 . 1 . . . . . 48 ALA CA . 52318 1
84 . 1 . 1 51 51 ALA CB C 13 18.533 0.033 . 1 . . . . . 48 ALA CB . 52318 1
85 . 1 . 1 52 52 THR H H 1 7.037 0.002 . 1 . . . . . 49 THR H . 52318 1
86 . 1 . 1 52 52 THR C C 13 176.526 0.000 . 1 . . . . . 49 THR C . 52318 1
87 . 1 . 1 52 52 THR CA C 13 67.397 0.000 . 1 . . . . . 49 THR CA . 52318 1
88 . 1 . 1 52 52 THR CB C 13 72.587 0.000 . 1 . . . . . 49 THR CB . 52318 1
89 . 1 . 1 52 52 THR N N 15 113.303 0.072 . 1 . . . . . 49 THR N . 52318 1
90 . 1 . 1 54 54 VAL C C 13 175.330 0.000 . 1 . . . . . 51 VAL C . 52318 1
91 . 1 . 1 55 55 ASP H H 1 7.813 0.000 . 1 . . . . . 52 ASP H . 52318 1
92 . 1 . 1 55 55 ASP N N 15 117.724 0.000 . 1 . . . . . 52 ASP N . 52318 1
93 . 1 . 1 57 57 HIS C C 13 178.026 0.000 . 1 . . . . . 54 HIS C . 52318 1
94 . 1 . 1 58 58 GLN H H 1 8.057 0.005 . 1 . . . . . 55 GLN H . 52318 1
95 . 1 . 1 58 58 GLN C C 13 177.018 0.000 . 1 . . . . . 55 GLN C . 52318 1
96 . 1 . 1 58 58 GLN CA C 13 53.897 0.030 . 1 . . . . . 55 GLN CA . 52318 1
97 . 1 . 1 58 58 GLN CB C 13 29.863 0.000 . 1 . . . . . 55 GLN CB . 52318 1
98 . 1 . 1 58 58 GLN CG C 13 35.370 0.000 . 1 . . . . . 55 GLN CG . 52318 1
99 . 1 . 1 58 58 GLN N N 15 120.157 0.119 . 1 . . . . . 55 GLN N . 52318 1
100 . 1 . 1 65 65 VAL C C 13 176.909 0.000 . 1 . . . . . 62 VAL C . 52318 1
101 . 1 . 1 65 65 VAL CA C 13 60.453 0.040 . 1 . . . . . 62 VAL CA . 52318 1
102 . 1 . 1 65 65 VAL CB C 13 31.122 0.000 . 1 . . . . . 62 VAL CB . 52318 1
103 . 1 . 1 66 66 SER H H 1 9.244 0.002 . 1 . . . . . 63 SER H . 52318 1
104 . 1 . 1 66 66 SER CA C 13 59.219 0.013 . 1 . . . . . 63 SER CA . 52318 1
105 . 1 . 1 66 66 SER CB C 13 65.122 0.035 . 1 . . . . . 63 SER CB . 52318 1
106 . 1 . 1 66 66 SER N N 15 122.460 0.072 . 1 . . . . . 63 SER N . 52318 1
107 . 1 . 1 69 69 ARG C C 13 175.027 0.017 . 1 . . . . . 66 ARG C . 52318 1
108 . 1 . 1 69 69 ARG CA C 13 55.734 0.003 . 1 . . . . . 66 ARG CA . 52318 1
109 . 1 . 1 70 70 ASP H H 1 8.047 0.000 . 1 . . . . . 67 ASP H . 52318 1
110 . 1 . 1 70 70 ASP C C 13 176.197 0.000 . 1 . . . . . 67 ASP C . 52318 1
111 . 1 . 1 70 70 ASP CA C 13 52.188 0.000 . 1 . . . . . 67 ASP CA . 52318 1
112 . 1 . 1 70 70 ASP CB C 13 41.252 0.000 . 1 . . . . . 67 ASP CB . 52318 1
113 . 1 . 1 70 70 ASP N N 15 117.205 0.082 . 1 . . . . . 67 ASP N . 52318 1
114 . 1 . 1 74 74 VAL C C 13 174.504 0.011 . 1 . . . . . 71 VAL C . 52318 1
115 . 1 . 1 74 74 VAL CA C 13 61.296 0.011 . 1 . . . . . 71 VAL CA . 52318 1
116 . 1 . 1 74 74 VAL CB C 13 34.548 0.000 . 1 . . . . . 71 VAL CB . 52318 1
117 . 1 . 1 75 75 LEU H H 1 8.961 0.003 . 1 . . . . . 72 LEU H . 52318 1
118 . 1 . 1 75 75 LEU C C 13 174.449 0.000 . 1 . . . . . 72 LEU C . 52318 1
119 . 1 . 1 75 75 LEU CA C 13 53.296 0.000 . 1 . . . . . 72 LEU CA . 52318 1
120 . 1 . 1 75 75 LEU N N 15 124.026 0.011 . 1 . . . . . 72 LEU N . 52318 1
121 . 1 . 1 76 76 ILE H H 1 9.158 0.004 . 1 . . . . . 73 ILE H . 52318 1
122 . 1 . 1 76 76 ILE C C 13 175.190 0.007 . 1 . . . . . 73 ILE C . 52318 1
123 . 1 . 1 76 76 ILE CA C 13 60.085 0.000 . 1 . . . . . 73 ILE CA . 52318 1
124 . 1 . 1 76 76 ILE N N 15 124.842 0.119 . 1 . . . . . 73 ILE N . 52318 1
125 . 1 . 1 102 102 LEU C C 13 176.284 0.000 . 1 . . . . . 99 LEU C . 52318 1
126 . 1 . 1 102 102 LEU CA C 13 55.259 0.040 . 1 . . . . . 99 LEU CA . 52318 1
127 . 1 . 1 102 102 LEU CB C 13 42.632 0.000 . 1 . . . . . 99 LEU CB . 52318 1
128 . 1 . 1 103 103 VAL H H 1 7.250 0.004 . 1 . . . . . 100 VAL H . 52318 1
129 . 1 . 1 103 103 VAL C C 13 173.353 0.000 . 1 . . . . . 100 VAL C . 52318 1
130 . 1 . 1 103 103 VAL CA C 13 58.355 0.000 . 1 . . . . . 100 VAL CA . 52318 1
131 . 1 . 1 103 103 VAL N N 15 124.790 0.000 . 1 . . . . . 100 VAL N . 52318 1
132 . 1 . 1 106 106 ALA C C 13 177.524 0.009 . 1 . . . . . 103 ALA C . 52318 1
133 . 1 . 1 106 106 ALA CA C 13 51.742 0.031 . 1 . . . . . 103 ALA CA . 52318 1
134 . 1 . 1 106 106 ALA CB C 13 18.837 0.004 . 1 . . . . . 103 ALA CB . 52318 1
135 . 1 . 1 107 107 GLU H H 1 7.064 0.002 . 1 . . . . . 104 GLU H . 52318 1
136 . 1 . 1 107 107 GLU C C 13 175.102 0.007 . 1 . . . . . 104 GLU C . 52318 1
137 . 1 . 1 107 107 GLU CA C 13 57.371 0.013 . 1 . . . . . 104 GLU CA . 52318 1
138 . 1 . 1 107 107 GLU CB C 13 31.365 0.051 . 1 . . . . . 104 GLU CB . 52318 1
139 . 1 . 1 107 107 GLU CG C 13 36.459 0.000 . 1 . . . . . 104 GLU CG . 52318 1
140 . 1 . 1 107 107 GLU N N 15 121.047 0.003 . 1 . . . . . 104 GLU N . 52318 1
141 . 1 . 1 108 108 LYS H H 1 8.188 0.003 . 1 . . . . . 105 LYS H . 52318 1
142 . 1 . 1 108 108 LYS C C 13 176.253 0.000 . 1 . . . . . 105 LYS C . 52318 1
143 . 1 . 1 108 108 LYS CA C 13 54.325 0.000 . 1 . . . . . 105 LYS CA . 52318 1
144 . 1 . 1 108 108 LYS CB C 13 35.950 0.000 . 1 . . . . . 105 LYS CB . 52318 1
145 . 1 . 1 108 108 LYS N N 15 115.039 0.010 . 1 . . . . . 105 LYS N . 52318 1
146 . 1 . 1 110 110 LYS C C 13 175.619 0.000 . 1 . . . . . 107 LYS C . 52318 1
147 . 1 . 1 110 110 LYS CA C 13 55.135 0.004 . 1 . . . . . 107 LYS CA . 52318 1
148 . 1 . 1 111 111 ILE H H 1 9.136 0.001 . 1 . . . . . 108 ILE H . 52318 1
149 . 1 . 1 111 111 ILE CA C 13 57.618 0.000 . 1 . . . . . 108 ILE CA . 52318 1
150 . 1 . 1 111 111 ILE N N 15 121.628 0.027 . 1 . . . . . 108 ILE N . 52318 1
151 . 1 . 1 130 130 ALA C C 13 181.559 0.000 . 1 . . . . . 127 ALA C . 52318 1
152 . 1 . 1 130 130 ALA CA C 13 55.392 0.084 . 1 . . . . . 127 ALA CA . 52318 1
153 . 1 . 1 130 130 ALA CB C 13 18.424 0.104 . 1 . . . . . 127 ALA CB . 52318 1
154 . 1 . 1 131 131 ILE H H 1 7.603 0.003 . 1 . . . . . 128 ILE H . 52318 1
155 . 1 . 1 131 131 ILE C C 13 176.440 0.000 . 1 . . . . . 128 ILE C . 52318 1
156 . 1 . 1 131 131 ILE CA C 13 66.352 0.055 . 1 . . . . . 128 ILE CA . 52318 1
157 . 1 . 1 131 131 ILE CB C 13 39.154 0.000 . 1 . . . . . 128 ILE CB . 52318 1
158 . 1 . 1 131 131 ILE N N 15 122.126 0.045 . 1 . . . . . 128 ILE N . 52318 1
159 . 1 . 1 132 132 CYS H H 1 9.039 0.005 . 1 . . . . . 129 CYS H . 52318 1
160 . 1 . 1 132 132 CYS C C 13 177.320 0.012 . 1 . . . . . 129 CYS C . 52318 1
161 . 1 . 1 132 132 CYS CA C 13 63.090 0.082 . 1 . . . . . 129 CYS CA . 52318 1
162 . 1 . 1 132 132 CYS CB C 13 27.478 0.000 . 1 . . . . . 129 CYS CB . 52318 1
163 . 1 . 1 132 132 CYS N N 15 120.520 0.076 . 1 . . . . . 129 CYS N . 52318 1
164 . 1 . 1 133 133 ILE H H 1 8.900 0.004 . 1 . . . . . 130 ILE H . 52318 1
165 . 1 . 1 133 133 ILE CA C 13 67.584 0.000 . 1 . . . . . 130 ILE CA . 52318 1
166 . 1 . 1 133 133 ILE CB C 13 38.575 0.000 . 1 . . . . . 130 ILE CB . 52318 1
167 . 1 . 1 133 133 ILE N N 15 118.197 0.045 . 1 . . . . . 130 ILE N . 52318 1
168 . 1 . 1 139 139 HIS C C 13 179.274 0.026 . 1 . . . . . 136 HIS C . 52318 1
169 . 1 . 1 139 139 HIS CA C 13 59.941 0.047 . 1 . . . . . 136 HIS CA . 52318 1
170 . 1 . 1 139 139 HIS CB C 13 29.556 0.012 . 1 . . . . . 136 HIS CB . 52318 1
171 . 1 . 1 140 140 LEU H H 1 7.255 0.002 . 1 . . . . . 137 LEU H . 52318 1
172 . 1 . 1 140 140 LEU C C 13 179.308 0.000 . 1 . . . . . 137 LEU C . 52318 1
173 . 1 . 1 140 140 LEU CA C 13 56.139 0.059 . 1 . . . . . 137 LEU CA . 52318 1
174 . 1 . 1 140 140 LEU CB C 13 43.084 0.000 . 1 . . . . . 137 LEU CB . 52318 1
175 . 1 . 1 140 140 LEU N N 15 111.634 0.041 . 1 . . . . . 137 LEU N . 52318 1
176 . 1 . 1 141 141 VAL H H 1 7.723 0.001 . 1 . . . . . 138 VAL H . 52318 1
177 . 1 . 1 141 141 VAL C C 13 174.810 0.000 . 1 . . . . . 138 VAL C . 52318 1
178 . 1 . 1 141 141 VAL CA C 13 60.356 0.000 . 1 . . . . . 138 VAL CA . 52318 1
179 . 1 . 1 141 141 VAL CB C 13 30.429 0.000 . 1 . . . . . 138 VAL CB . 52318 1
180 . 1 . 1 141 141 VAL N N 15 112.095 0.023 . 1 . . . . . 138 VAL N . 52318 1
181 . 1 . 1 147 147 ASP C C 13 177.625 0.000 . 1 . . . . . 144 ASP C . 52318 1
182 . 1 . 1 148 148 TYR H H 1 7.292 0.004 . 1 . . . . . 145 TYR H . 52318 1
183 . 1 . 1 148 148 TYR C C 13 175.767 0.002 . 1 . . . . . 145 TYR C . 52318 1
184 . 1 . 1 148 148 TYR CA C 13 59.922 0.110 . 1 . . . . . 145 TYR CA . 52318 1
185 . 1 . 1 148 148 TYR CB C 13 38.217 0.018 . 1 . . . . . 145 TYR CB . 52318 1
186 . 1 . 1 148 148 TYR N N 15 114.946 0.044 . 1 . . . . . 145 TYR N . 52318 1
187 . 1 . 1 149 149 LEU H H 1 7.383 0.001 . 1 . . . . . 146 LEU H . 52318 1
188 . 1 . 1 149 149 LEU C C 13 176.151 0.004 . 1 . . . . . 146 LEU C . 52318 1
189 . 1 . 1 149 149 LEU CA C 13 54.807 0.028 . 1 . . . . . 146 LEU CA . 52318 1
190 . 1 . 1 149 149 LEU CB C 13 41.963 0.069 . 1 . . . . . 146 LEU CB . 52318 1
191 . 1 . 1 149 149 LEU CG C 13 27.986 0.000 . 1 . . . . . 146 LEU CG . 52318 1
192 . 1 . 1 149 149 LEU CD1 C 13 25.214 0.000 . 2 . . . . . 146 LEU CD1 . 52318 1
193 . 1 . 1 149 149 LEU CD2 C 13 22.930 0.000 . 2 . . . . . 146 LEU CD2 . 52318 1
194 . 1 . 1 149 149 LEU N N 15 120.299 0.228 . 1 . . . . . 146 LEU N . 52318 1
195 . 1 . 1 150 150 SER H H 1 7.570 0.002 . 1 . . . . . 147 SER H . 52318 1
196 . 1 . 1 150 150 SER C C 13 178.438 0.000 . 1 . . . . . 147 SER C . 52318 1
197 . 1 . 1 150 150 SER CA C 13 60.074 0.000 . 1 . . . . . 147 SER CA . 52318 1
198 . 1 . 1 150 150 SER CB C 13 64.977 0.000 . 1 . . . . . 147 SER CB . 52318 1
199 . 1 . 1 150 150 SER N N 15 120.878 0.035 . 1 . . . . . 147 SER N . 52318 1
stop_
save_