###################################
# 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 15638
_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' . . . 15638 1
2 '3D HNCA' . . . 15638 1
3 '3D HN(CO)CA' . . . 15638 1
4 '3D HNCACB' . . . 15638 1
5 '3D CBCA(CO)NH' . . . 15638 1
6 '3D HNCO' . . . 15638 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 $SPARKY . . 15638 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.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 H H 1 8.398 0.02 . 1 . . . . 1 MET H . 15638 1
2 . 1 1 4 4 MET C C 13 175.992 0.4 . 1 . . . . 1 MET C . 15638 1
3 . 1 1 4 4 MET CA C 13 56.518 0.45 . 1 . . . . 1 MET CA . 15638 1
4 . 1 1 4 4 MET N N 15 120.079 0.2 . 1 . . . . 1 MET N . 15638 1
5 . 1 1 5 5 VAL H H 1 7.791 0.02 . 1 . . . . 2 VAL H . 15638 1
6 . 1 1 5 5 VAL C C 13 175.656 0.4 . 1 . . . . 2 VAL C . 15638 1
7 . 1 1 5 5 VAL CA C 13 62.458 0.45 . 1 . . . . 2 VAL CA . 15638 1
8 . 1 1 5 5 VAL N N 15 118.419 0.2 . 1 . . . . 2 VAL N . 15638 1
9 . 1 1 6 6 THR H H 1 7.991 0.02 . 1 . . . . 3 THR H . 15638 1
10 . 1 1 6 6 THR C C 13 174.896 0.4 . 1 . . . . 3 THR C . 15638 1
11 . 1 1 6 6 THR CA C 13 61.971 0.45 . 1 . . . . 3 THR CA . 15638 1
12 . 1 1 6 6 THR N N 15 116.064 0.2 . 1 . . . . 3 THR N . 15638 1
13 . 1 1 7 7 MET H H 1 8.220 0.02 . 1 . . . . 4 MET H . 15638 1
14 . 1 1 7 7 MET C C 13 176.324 0.4 . 1 . . . . 4 MET C . 15638 1
15 . 1 1 7 7 MET CA C 13 56.477 0.45 . 1 . . . . 4 MET CA . 15638 1
16 . 1 1 7 7 MET N N 15 121.586 0.2 . 1 . . . . 4 MET N . 15638 1
17 . 1 1 8 8 THR H H 1 7.757 0.02 . 1 . . . . 5 THR H . 15638 1
18 . 1 1 8 8 THR C C 13 174.937 0.4 . 1 . . . . 5 THR C . 15638 1
19 . 1 1 8 8 THR CA C 13 63.030 0.45 . 1 . . . . 5 THR CA . 15638 1
20 . 1 1 8 8 THR N N 15 110.419 0.2 . 1 . . . . 5 THR N . 15638 1
21 . 1 1 9 9 SER H H 1 8.088 0.02 . 1 . . . . 6 SER H . 15638 1
22 . 1 1 9 9 SER C C 13 174.994 0.4 . 1 . . . . 6 SER C . 15638 1
23 . 1 1 9 9 SER CA C 13 58.782 0.45 . 1 . . . . 6 SER CA . 15638 1
24 . 1 1 9 9 SER N N 15 115.615 0.2 . 1 . . . . 6 SER N . 15638 1
25 . 1 1 10 10 TRP H H 1 8.115 0.02 . 1 . . . . 7 TRP H . 15638 1
26 . 1 1 10 10 TRP CA C 13 60.017 0.45 . 1 . . . . 7 TRP CA . 15638 1
27 . 1 1 10 10 TRP N N 15 122.566 0.2 . 1 . . . . 7 TRP N . 15638 1
28 . 1 1 11 11 PRO C C 13 177.071 0.4 . 1 . . . . 8 PRO C . 15638 1
29 . 1 1 11 11 PRO CA C 13 66.048 0.45 . 1 . . . . 8 PRO CA . 15638 1
30 . 1 1 12 12 SER H H 1 7.854 0.02 . 1 . . . . 9 SER H . 15638 1
31 . 1 1 12 12 SER CA C 13 61.530 0.45 . 1 . . . . 9 SER CA . 15638 1
32 . 1 1 12 12 SER N N 15 112.186 0.2 . 1 . . . . 9 SER N . 15638 1
33 . 1 1 13 13 ARG H H 1 7.950 0.02 . 1 . . . . 10 ARG H . 15638 1
34 . 1 1 13 13 ARG C C 13 177.889 0.4 . 1 . . . . 10 ARG C . 15638 1
35 . 1 1 13 13 ARG CA C 13 58.442 0.45 . 1 . . . . 10 ARG CA . 15638 1
36 . 1 1 13 13 ARG N N 15 121.309 0.2 . 1 . . . . 10 ARG N . 15638 1
37 . 1 1 14 14 LEU H H 1 7.889 0.02 . 1 . . . . 11 LEU H . 15638 1
38 . 1 1 14 14 LEU C C 13 180.229 0.4 . 1 . . . . 11 LEU C . 15638 1
39 . 1 1 14 14 LEU CA C 13 57.789 0.45 . 1 . . . . 11 LEU CA . 15638 1
40 . 1 1 14 14 LEU N N 15 119.370 0.2 . 1 . . . . 11 LEU N . 15638 1
41 . 1 1 15 15 PHE H H 1 8.108 0.02 . 1 . . . . 12 PHE H . 15638 1
42 . 1 1 15 15 PHE C C 13 177.084 0.4 . 1 . . . . 12 PHE C . 15638 1
43 . 1 1 15 15 PHE CA C 13 59.459 0.45 . 1 . . . . 12 PHE CA . 15638 1
44 . 1 1 15 15 PHE N N 15 117.754 0.2 . 1 . . . . 12 PHE N . 15638 1
45 . 1 1 16 16 ALA H H 1 7.856 0.02 . 1 . . . . 13 ALA H . 15638 1
46 . 1 1 16 16 ALA C C 13 179.274 0.4 . 1 . . . . 13 ALA C . 15638 1
47 . 1 1 16 16 ALA CA C 13 54.667 0.45 . 1 . . . . 13 ALA CA . 15638 1
48 . 1 1 16 16 ALA N N 15 121.796 0.2 . 1 . . . . 13 ALA N . 15638 1
49 . 1 1 17 17 PHE H H 1 7.876 0.02 . 1 . . . . 14 PHE H . 15638 1
50 . 1 1 17 17 PHE C C 13 177.328 0.4 . 1 . . . . 14 PHE C . 15638 1
51 . 1 1 17 17 PHE CA C 13 60.252 0.45 . 1 . . . . 14 PHE CA . 15638 1
52 . 1 1 17 17 PHE N N 15 116.986 0.2 . 1 . . . . 14 PHE N . 15638 1
53 . 1 1 18 18 THR H H 1 8.145 0.02 . 1 . . . . 15 THR H . 15638 1
54 . 1 1 18 18 THR C C 13 175.583 0.4 . 1 . . . . 15 THR C . 15638 1
55 . 1 1 18 18 THR CA C 13 65.383 0.45 . 1 . . . . 15 THR CA . 15638 1
56 . 1 1 18 18 THR N N 15 112.087 0.2 . 1 . . . . 15 THR N . 15638 1
57 . 1 1 19 19 ASP H H 1 8.071 0.02 . 1 . . . . 16 ASP H . 15638 1
58 . 1 1 19 19 ASP C C 13 175.524 0.4 . 1 . . . . 16 ASP C . 15638 1
59 . 1 1 19 19 ASP CA C 13 54.941 0.45 . 1 . . . . 16 ASP CA . 15638 1
60 . 1 1 19 19 ASP N N 15 118.759 0.2 . 1 . . . . 16 ASP N . 15638 1
61 . 1 1 20 20 ASN H H 1 7.685 0.02 . 1 . . . . 17 ASN H . 15638 1
62 . 1 1 20 20 ASN C C 13 175.555 0.4 . 1 . . . . 17 ASN C . 15638 1
63 . 1 1 20 20 ASN CA C 13 54.534 0.45 . 1 . . . . 17 ASN CA . 15638 1
64 . 1 1 20 20 ASN N N 15 115.656 0.2 . 1 . . . . 17 ASN N . 15638 1
65 . 1 1 21 21 VAL H H 1 7.485 0.02 . 1 . . . . 18 VAL H . 15638 1
66 . 1 1 21 21 VAL C C 13 174.744 0.4 . 1 . . . . 18 VAL C . 15638 1
67 . 1 1 21 21 VAL CA C 13 63.060 0.45 . 1 . . . . 18 VAL CA . 15638 1
68 . 1 1 21 21 VAL N N 15 115.346 0.2 . 1 . . . . 18 VAL N . 15638 1
69 . 1 1 22 22 CYS H H 1 8.078 0.02 . 1 . . . . 19 CYS H . 15638 1
70 . 1 1 22 22 CYS CA C 13 54.417 0.45 . 1 . . . . 19 CYS CA . 15638 1
71 . 1 1 22 22 CYS N N 15 119.815 0.2 . 1 . . . . 19 CYS N . 15638 1
72 . 1 1 24 24 PRO C C 13 177.150 0.4 . 1 . . . . 21 PRO C . 15638 1
73 . 1 1 24 24 PRO CA C 13 64.915 0.45 . 1 . . . . 21 PRO CA . 15638 1
74 . 1 1 25 25 ASP H H 1 8.364 0.02 . 1 . . . . 22 ASP H . 15638 1
75 . 1 1 25 25 ASP C C 13 175.085 0.4 . 1 . . . . 22 ASP C . 15638 1
76 . 1 1 25 25 ASP CA C 13 54.448 0.45 . 1 . . . . 22 ASP CA . 15638 1
77 . 1 1 25 25 ASP N N 15 113.868 0.2 . 1 . . . . 22 ASP N . 15638 1
78 . 1 1 26 26 ALA H H 1 8.016 0.02 . 1 . . . . 23 ALA H . 15638 1
79 . 1 1 26 26 ALA C C 13 175.722 0.4 . 1 . . . . 23 ALA C . 15638 1
80 . 1 1 26 26 ALA CA C 13 52.372 0.45 . 1 . . . . 23 ALA CA . 15638 1
81 . 1 1 26 26 ALA N N 15 122.425 0.2 . 1 . . . . 23 ALA N . 15638 1
82 . 1 1 27 27 CYS H H 1 8.189 0.02 . 1 . . . . 24 CYS H . 15638 1
83 . 1 1 27 27 CYS CA C 13 53.321 0.45 . 1 . . . . 24 CYS CA . 15638 1
84 . 1 1 27 27 CYS N N 15 118.171 0.2 . 1 . . . . 24 CYS N . 15638 1
85 . 1 1 28 28 PRO C C 13 176.840 0.4 . 1 . . . . 25 PRO C . 15638 1
86 . 1 1 28 28 PRO CA C 13 64.111 0.45 . 1 . . . . 25 PRO CA . 15638 1
87 . 1 1 29 29 LEU H H 1 7.931 0.02 . 1 . . . . 26 LEU H . 15638 1
88 . 1 1 29 29 LEU C C 13 176.096 0.4 . 1 . . . . 26 LEU C . 15638 1
89 . 1 1 29 29 LEU CA C 13 55.842 0.45 . 1 . . . . 26 LEU CA . 15638 1
90 . 1 1 29 29 LEU N N 15 119.448 0.2 . 1 . . . . 26 LEU N . 15638 1
91 . 1 1 30 30 VAL H H 1 7.534 0.02 . 1 . . . . 27 VAL H . 15638 1
92 . 1 1 30 30 VAL CA C 13 61.299 0.45 . 1 . . . . 27 VAL CA . 15638 1
93 . 1 1 30 30 VAL N N 15 117.084 0.2 . 1 . . . . 27 VAL N . 15638 1
94 . 1 1 31 31 PRO CA C 13 63.785 0.45 . 1 . . . . 28 PRO CA . 15638 1
95 . 1 1 32 32 PHE H H 1 7.607 0.02 . 1 . . . . 29 PHE H . 15638 1
96 . 1 1 32 32 PHE C C 13 176.012 0.4 . 1 . . . . 29 PHE C . 15638 1
97 . 1 1 32 32 PHE CA C 13 58.256 0.45 . 1 . . . . 29 PHE CA . 15638 1
98 . 1 1 32 32 PHE N N 15 117.463 0.2 . 1 . . . . 29 PHE N . 15638 1
99 . 1 1 33 33 GLY H H 1 8.185 0.02 . 1 . . . . 30 GLY H . 15638 1
100 . 1 1 33 33 GLY C C 13 174.376 0.4 . 1 . . . . 30 GLY C . 15638 1
101 . 1 1 33 33 GLY CA C 13 46.140 0.45 . 1 . . . . 30 GLY CA . 15638 1
102 . 1 1 33 33 GLY N N 15 108.294 0.2 . 1 . . . . 30 GLY N . 15638 1
103 . 1 1 34 34 VAL H H 1 7.840 0.02 . 1 . . . . 31 VAL H . 15638 1
104 . 1 1 34 34 VAL C C 13 175.807 0.4 . 1 . . . . 31 VAL C . 15638 1
105 . 1 1 34 34 VAL CA C 13 63.488 0.45 . 1 . . . . 31 VAL CA . 15638 1
106 . 1 1 34 34 VAL N N 15 117.667 0.2 . 1 . . . . 31 VAL N . 15638 1
107 . 1 1 35 35 ASN H H 1 8.136 0.02 . 1 . . . . 32 ASN H . 15638 1
108 . 1 1 35 35 ASN C C 13 175.112 0.4 . 1 . . . . 32 ASN C . 15638 1
109 . 1 1 35 35 ASN CA C 13 54.214 0.45 . 1 . . . . 32 ASN CA . 15638 1
110 . 1 1 35 35 ASN N N 15 118.840 0.2 . 1 . . . . 32 ASN N . 15638 1
111 . 1 1 36 36 TYR H H 1 7.658 0.02 . 1 . . . . 33 TYR H . 15638 1
112 . 1 1 36 36 TYR C C 13 173.937 0.4 . 1 . . . . 33 TYR C . 15638 1
113 . 1 1 36 36 TYR CA C 13 59.011 0.45 . 1 . . . . 33 TYR CA . 15638 1
114 . 1 1 36 36 TYR N N 15 118.095 0.2 . 1 . . . . 33 TYR N . 15638 1
115 . 1 1 37 37 TYR H H 1 7.578 0.02 . 1 . . . . 34 TYR H . 15638 1
116 . 1 1 37 37 TYR C C 13 175.215 0.4 . 1 . . . . 34 TYR C . 15638 1
117 . 1 1 37 37 TYR CA C 13 58.791 0.45 . 1 . . . . 34 TYR CA . 15638 1
118 . 1 1 37 37 TYR N N 15 116.928 0.2 . 1 . . . . 34 TYR N . 15638 1
119 . 1 1 38 38 ILE H H 1 7.320 0.02 . 1 . . . . 35 ILE H . 15638 1
120 . 1 1 38 38 ILE C C 13 177.122 0.4 . 1 . . . . 35 ILE C . 15638 1
121 . 1 1 38 38 ILE CA C 13 62.489 0.45 . 1 . . . . 35 ILE CA . 15638 1
122 . 1 1 38 38 ILE N N 15 116.159 0.2 . 1 . . . . 35 ILE N . 15638 1
123 . 1 1 39 39 TYR H H 1 7.745 0.02 . 1 . . . . 36 TYR H . 15638 1
124 . 1 1 39 39 TYR CA C 13 58.361 0.45 . 1 . . . . 36 TYR CA . 15638 1
125 . 1 1 39 39 TYR N N 15 121.928 0.2 . 1 . . . . 36 TYR N . 15638 1
126 . 1 1 40 40 PRO C C 13 177.171 0.4 . 1 . . . . 37 PRO C . 15638 1
127 . 1 1 40 40 PRO CA C 13 64.889 0.45 . 1 . . . . 37 PRO CA . 15638 1
128 . 1 1 41 41 VAL H H 1 7.304 0.02 . 1 . . . . 38 VAL H . 15638 1
129 . 1 1 41 41 VAL C C 13 175.669 0.4 . 1 . . . . 38 VAL C . 15638 1
130 . 1 1 41 41 VAL CA C 13 63.770 0.45 . 1 . . . . 38 VAL CA . 15638 1
131 . 1 1 41 41 VAL N N 15 115.799 0.2 . 1 . . . . 38 VAL N . 15638 1
132 . 1 1 42 42 MET H H 1 7.387 0.02 . 1 . . . . 39 MET H . 15638 1
133 . 1 1 42 42 MET C C 13 178.034 0.4 . 1 . . . . 39 MET C . 15638 1
134 . 1 1 42 42 MET CA C 13 56.868 0.45 . 1 . . . . 39 MET CA . 15638 1
135 . 1 1 42 42 MET N N 15 117.951 0.2 . 1 . . . . 39 MET N . 15638 1
136 . 1 1 43 43 TRP H H 1 8.005 0.02 . 1 . . . . 40 TRP H . 15638 1
137 . 1 1 43 43 TRP CA C 13 58.155 0.45 . 1 . . . . 40 TRP CA . 15638 1
138 . 1 1 43 43 TRP N N 15 119.274 0.2 . 1 . . . . 40 TRP N . 15638 1
139 . 1 1 44 44 GLY H H 1 8.140 0.02 . 1 . . . . 41 GLY H . 15638 1
140 . 1 1 44 44 GLY C C 13 175.390 0.4 . 1 . . . . 41 GLY C . 15638 1
141 . 1 1 44 44 GLY CA C 13 46.786 0.45 . 1 . . . . 41 GLY CA . 15638 1
142 . 1 1 44 44 GLY N N 15 107.407 0.2 . 1 . . . . 41 GLY N . 15638 1
143 . 1 1 45 45 GLY H H 1 8.037 0.02 . 1 . . . . 42 GLY H . 15638 1
144 . 1 1 45 45 GLY CA C 13 46.457 0.45 . 1 . . . . 42 GLY CA . 15638 1
145 . 1 1 45 45 GLY N N 15 108.414 0.2 . 1 . . . . 42 GLY N . 15638 1
146 . 1 1 46 46 ILE H H 1 7.941 0.02 . 1 . . . . 43 ILE H . 15638 1
147 . 1 1 46 46 ILE C C 13 177.315 0.4 . 1 . . . . 43 ILE C . 15638 1
148 . 1 1 46 46 ILE CA C 13 63.607 0.45 . 1 . . . . 43 ILE CA . 15638 1
149 . 1 1 46 46 ILE N N 15 121.287 0.2 . 1 . . . . 43 ILE N . 15638 1
150 . 1 1 47 47 GLY H H 1 8.342 0.02 . 1 . . . . 44 GLY H . 15638 1
151 . 1 1 47 47 GLY CA C 13 47.535 0.45 . 1 . . . . 44 GLY CA . 15638 1
152 . 1 1 47 47 GLY N N 15 107.954 0.2 . 1 . . . . 44 GLY N . 15638 1
153 . 1 1 48 48 ALA H H 1 8.066 0.02 . 1 . . . . 45 ALA H . 15638 1
154 . 1 1 48 48 ALA C C 13 179.698 0.4 . 1 . . . . 45 ALA C . 15638 1
155 . 1 1 48 48 ALA CA C 13 54.992 0.45 . 1 . . . . 45 ALA CA . 15638 1
156 . 1 1 48 48 ALA N N 15 122.467 0.2 . 1 . . . . 45 ALA N . 15638 1
157 . 1 1 49 49 ALA H H 1 7.846 0.02 . 1 . . . . 46 ALA H . 15638 1
158 . 1 1 49 49 ALA C C 13 178.464 0.4 . 1 . . . . 46 ALA C . 15638 1
159 . 1 1 49 49 ALA CA C 13 54.976 0.45 . 1 . . . . 46 ALA CA . 15638 1
160 . 1 1 49 49 ALA N N 15 121.054 0.2 . 1 . . . . 46 ALA N . 15638 1
161 . 1 1 50 50 ILE H H 1 8.080 0.02 . 1 . . . . 47 ILE H . 15638 1
162 . 1 1 50 50 ILE C C 13 174.424 0.4 . 1 . . . . 47 ILE C . 15638 1
163 . 1 1 50 50 ILE CA C 13 64.229 0.45 . 1 . . . . 47 ILE CA . 15638 1
164 . 1 1 50 50 ILE N N 15 117.621 0.2 . 1 . . . . 47 ILE N . 15638 1
165 . 1 1 51 51 ALA H H 1 8.285 0.02 . 1 . . . . 48 ALA H . 15638 1
166 . 1 1 51 51 ALA C C 13 176.245 0.4 . 1 . . . . 48 ALA C . 15638 1
167 . 1 1 51 51 ALA CA C 13 55.530 0.45 . 1 . . . . 48 ALA CA . 15638 1
168 . 1 1 51 51 ALA N N 15 121.705 0.2 . 1 . . . . 48 ALA N . 15638 1
169 . 1 1 52 52 THR H H 1 8.040 0.02 . 1 . . . . 49 THR H . 15638 1
170 . 1 1 52 52 THR C C 13 175.935 0.4 . 1 . . . . 49 THR C . 15638 1
171 . 1 1 52 52 THR CA C 13 65.530 0.45 . 1 . . . . 49 THR CA . 15638 1
172 . 1 1 52 52 THR N N 15 110.097 0.2 . 1 . . . . 49 THR N . 15638 1
173 . 1 1 53 53 ALA H H 1 7.839 0.02 . 1 . . . . 50 ALA H . 15638 1
174 . 1 1 53 53 ALA C C 13 178.315 0.4 . 1 . . . . 50 ALA C . 15638 1
175 . 1 1 53 53 ALA CA C 13 54.264 0.45 . 1 . . . . 50 ALA CA . 15638 1
176 . 1 1 53 53 ALA N N 15 122.692 0.2 . 1 . . . . 50 ALA N . 15638 1
177 . 1 1 54 54 VAL H H 1 7.755 0.02 . 1 . . . . 51 VAL H . 15638 1
178 . 1 1 54 54 VAL C C 13 176.233 0.4 . 1 . . . . 51 VAL C . 15638 1
179 . 1 1 54 54 VAL CA C 13 63.838 0.45 . 1 . . . . 51 VAL CA . 15638 1
180 . 1 1 54 54 VAL N N 15 112.601 0.2 . 1 . . . . 51 VAL N . 15638 1
181 . 1 1 55 55 ILE H H 1 7.927 0.02 . 1 . . . . 52 ILE H . 15638 1
182 . 1 1 55 55 ILE C C 13 177.452 0.4 . 1 . . . . 52 ILE C . 15638 1
183 . 1 1 55 55 ILE CA C 13 63.804 0.45 . 1 . . . . 52 ILE CA . 15638 1
184 . 1 1 55 55 ILE N N 15 116.938 0.2 . 1 . . . . 52 ILE N . 15638 1
185 . 1 1 56 56 GLY H H 1 8.194 0.02 . 1 . . . . 53 GLY H . 15638 1
186 . 1 1 56 56 GLY CA C 13 48.367 0.45 . 1 . . . . 53 GLY CA . 15638 1
187 . 1 1 56 56 GLY N N 15 107.312 0.2 . 1 . . . . 53 GLY N . 15638 1
188 . 1 1 57 57 PRO CA C 13 65.164 0.45 . 1 . . . . 54 PRO CA . 15638 1
189 . 1 1 58 58 PHE H H 1 7.857 0.02 . 1 . . . . 55 PHE H . 15638 1
190 . 1 1 58 58 PHE C C 13 177.042 0.4 . 1 . . . . 55 PHE C . 15638 1
191 . 1 1 58 58 PHE CA C 13 60.526 0.45 . 1 . . . . 55 PHE CA . 15638 1
192 . 1 1 58 58 PHE N N 15 116.924 0.2 . 1 . . . . 55 PHE N . 15638 1
193 . 1 1 59 59 VAL H H 1 8.386 0.02 . 1 . . . . 56 VAL H . 15638 1
194 . 1 1 59 59 VAL C C 13 177.882 0.4 . 1 . . . . 56 VAL C . 15638 1
195 . 1 1 59 59 VAL CA C 13 67.172 0.45 . 1 . . . . 56 VAL CA . 15638 1
196 . 1 1 59 59 VAL N N 15 119.047 0.2 . 1 . . . . 56 VAL N . 15638 1
197 . 1 1 60 60 SER H H 1 8.142 0.02 . 1 . . . . 57 SER H . 15638 1
198 . 1 1 60 60 SER CA C 13 61.892 0.45 . 1 . . . . 57 SER CA . 15638 1
199 . 1 1 60 60 SER N N 15 114.202 0.2 . 1 . . . . 57 SER N . 15638 1
200 . 1 1 61 61 MET C C 13 176.993 0.4 . 1 . . . . 58 MET C . 15638 1
201 . 1 1 61 61 MET CA C 13 58.425 0.45 . 1 . . . . 58 MET CA . 15638 1
202 . 1 1 62 62 LEU H H 1 7.963 0.02 . 1 . . . . 59 LEU H . 15638 1
203 . 1 1 62 62 LEU CA C 13 57.914 0.45 . 1 . . . . 59 LEU CA . 15638 1
204 . 1 1 62 62 LEU N N 15 119.135 0.2 . 1 . . . . 59 LEU N . 15638 1
205 . 1 1 63 63 LYS H H 1 8.260 0.02 . 1 . . . . 60 LYS H . 15638 1
206 . 1 1 63 63 LYS C C 13 178.659 0.4 . 1 . . . . 60 LYS C . 15638 1
207 . 1 1 63 63 LYS CA C 13 60.243 0.45 . 1 . . . . 60 LYS CA . 15638 1
208 . 1 1 63 63 LYS N N 15 118.143 0.2 . 1 . . . . 60 LYS N . 15638 1
209 . 1 1 64 64 GLY H H 1 7.862 0.02 . 1 . . . . 61 GLY H . 15638 1
210 . 1 1 64 64 GLY C C 13 176.853 0.4 . 1 . . . . 61 GLY C . 15638 1
211 . 1 1 64 64 GLY CA C 13 47.151 0.45 . 1 . . . . 61 GLY CA . 15638 1
212 . 1 1 64 64 GLY N N 15 105.797 0.2 . 1 . . . . 61 GLY N . 15638 1
213 . 1 1 65 65 TRP H H 1 8.148 0.02 . 1 . . . . 62 TRP H . 15638 1
214 . 1 1 65 65 TRP CA C 13 59.241 0.45 . 1 . . . . 62 TRP CA . 15638 1
215 . 1 1 65 65 TRP N N 15 122.838 0.2 . 1 . . . . 62 TRP N . 15638 1
216 . 1 1 66 66 TYR C C 13 174.847 0.4 . 1 . . . . 63 TYR C . 15638 1
217 . 1 1 66 66 TYR CA C 13 61.877 0.45 . 1 . . . . 63 TYR CA . 15638 1
218 . 1 1 67 67 MET H H 1 8.144 0.02 . 1 . . . . 64 MET H . 15638 1
219 . 1 1 67 67 MET C C 13 178.685 0.4 . 1 . . . . 64 MET C . 15638 1
220 . 1 1 67 67 MET CA C 13 57.875 0.45 . 1 . . . . 64 MET CA . 15638 1
221 . 1 1 67 67 MET N N 15 116.007 0.2 . 1 . . . . 64 MET N . 15638 1
222 . 1 1 68 68 SER H H 1 7.920 0.02 . 1 . . . . 65 SER H . 15638 1
223 . 1 1 68 68 SER C C 13 175.265 0.4 . 1 . . . . 65 SER C . 15638 1
224 . 1 1 68 68 SER CA C 13 61.080 0.45 . 1 . . . . 65 SER CA . 15638 1
225 . 1 1 68 68 SER N N 15 113.564 0.2 . 1 . . . . 65 SER N . 15638 1
226 . 1 1 69 69 PHE H H 1 8.088 0.02 . 1 . . . . 66 PHE H . 15638 1
227 . 1 1 69 69 PHE CA C 13 58.019 0.45 . 1 . . . . 66 PHE CA . 15638 1
228 . 1 1 69 69 PHE N N 15 117.050 0.2 . 1 . . . . 66 PHE N . 15638 1
229 . 1 1 70 70 TRP H H 1 8.318 0.02 . 1 . . . . 67 TRP H . 15638 1
230 . 1 1 70 70 TRP CA C 13 61.851 0.45 . 1 . . . . 67 TRP CA . 15638 1
231 . 1 1 70 70 TRP N N 15 122.762 0.2 . 1 . . . . 67 TRP N . 15638 1
232 . 1 1 71 71 PRO C C 13 176.266 0.4 . 1 . . . . 68 PRO C . 15638 1
233 . 1 1 71 71 PRO CA C 13 62.118 0.45 . 1 . . . . 68 PRO CA . 15638 1
234 . 1 1 72 72 ILE H H 1 7.144 0.02 . 1 . . . . 69 ILE H . 15638 1
235 . 1 1 72 72 ILE C C 13 177.162 0.4 . 1 . . . . 69 ILE C . 15638 1
236 . 1 1 72 72 ILE CA C 13 62.933 0.45 . 1 . . . . 69 ILE CA . 15638 1
237 . 1 1 72 72 ILE N N 15 119.356 0.2 . 1 . . . . 69 ILE N . 15638 1
238 . 1 1 73 73 ILE H H 1 7.776 0.02 . 1 . . . . 70 ILE H . 15638 1
239 . 1 1 73 73 ILE C C 13 177.345 0.4 . 1 . . . . 70 ILE C . 15638 1
240 . 1 1 73 73 ILE CA C 13 64.443 0.45 . 1 . . . . 70 ILE CA . 15638 1
241 . 1 1 73 73 ILE N N 15 119.586 0.2 . 1 . . . . 70 ILE N . 15638 1
242 . 1 1 74 74 SER H H 1 8.143 0.02 . 1 . . . . 71 SER H . 15638 1
243 . 1 1 74 74 SER CA C 13 61.798 0.45 . 1 . . . . 71 SER CA . 15638 1
244 . 1 1 74 74 SER N N 15 113.634 0.2 . 1 . . . . 71 SER N . 15638 1
245 . 1 1 75 75 ILE C C 13 178.901 0.4 . 1 . . . . 72 ILE C . 15638 1
246 . 1 1 75 75 ILE CA C 13 63.538 0.45 . 1 . . . . 72 ILE CA . 15638 1
247 . 1 1 76 76 ALA H H 1 8.084 0.02 . 1 . . . . 73 ALA H . 15638 1
248 . 1 1 76 76 ALA C C 13 178.818 0.4 . 1 . . . . 73 ALA C . 15638 1
249 . 1 1 76 76 ALA CA C 13 55.606 0.45 . 1 . . . . 73 ALA CA . 15638 1
250 . 1 1 76 76 ALA N N 15 125.588 0.2 . 1 . . . . 73 ALA N . 15638 1
251 . 1 1 77 77 VAL H H 1 8.339 0.02 . 1 . . . . 74 VAL H . 15638 1
252 . 1 1 77 77 VAL C C 13 178.817 0.4 . 1 . . . . 74 VAL C . 15638 1
253 . 1 1 77 77 VAL CA C 13 67.094 0.45 . 1 . . . . 74 VAL CA . 15638 1
254 . 1 1 77 77 VAL N N 15 116.697 0.2 . 1 . . . . 74 VAL N . 15638 1
255 . 1 1 78 78 ILE H H 1 8.166 0.02 . 1 . . . . 75 ILE H . 15638 1
256 . 1 1 78 78 ILE C C 13 180.289 0.4 . 1 . . . . 75 ILE C . 15638 1
257 . 1 1 78 78 ILE CA C 13 64.703 0.45 . 1 . . . . 75 ILE CA . 15638 1
258 . 1 1 78 78 ILE N N 15 121.229 0.2 . 1 . . . . 75 ILE N . 15638 1
259 . 1 1 79 79 THR H H 1 8.142 0.02 . 1 . . . . 76 THR H . 15638 1
260 . 1 1 79 79 THR C C 13 176.297 0.4 . 1 . . . . 76 THR C . 15638 1
261 . 1 1 79 79 THR CA C 13 67.477 0.45 . 1 . . . . 76 THR CA . 15638 1
262 . 1 1 79 79 THR N N 15 118.113 0.2 . 1 . . . . 76 THR N . 15638 1
263 . 1 1 80 80 VAL H H 1 8.426 0.02 . 1 . . . . 77 VAL H . 15638 1
264 . 1 1 80 80 VAL C C 13 177.413 0.4 . 1 . . . . 77 VAL C . 15638 1
265 . 1 1 80 80 VAL CA C 13 66.904 0.45 . 1 . . . . 77 VAL CA . 15638 1
266 . 1 1 80 80 VAL N N 15 119.453 0.2 . 1 . . . . 77 VAL N . 15638 1
267 . 1 1 81 81 THR H H 1 8.294 0.02 . 1 . . . . 78 THR H . 15638 1
268 . 1 1 81 81 THR C C 13 177.108 0.4 . 1 . . . . 78 THR C . 15638 1
269 . 1 1 81 81 THR CA C 13 66.870 0.45 . 1 . . . . 78 THR CA . 15638 1
270 . 1 1 81 81 THR N N 15 112.880 0.2 . 1 . . . . 78 THR N . 15638 1
271 . 1 1 82 82 SER H H 1 7.930 0.02 . 1 . . . . 79 SER H . 15638 1
272 . 1 1 82 82 SER CA C 13 61.792 0.45 . 1 . . . . 79 SER CA . 15638 1
273 . 1 1 82 82 SER N N 15 117.437 0.2 . 1 . . . . 79 SER N . 15638 1
274 . 1 1 83 83 ILE H H 1 7.847 0.02 . 1 . . . . 80 ILE H . 15638 1
275 . 1 1 83 83 ILE C C 13 177.536 0.4 . 1 . . . . 80 ILE C . 15638 1
276 . 1 1 83 83 ILE CA C 13 63.924 0.45 . 1 . . . . 80 ILE CA . 15638 1
277 . 1 1 83 83 ILE N N 15 120.047 0.2 . 1 . . . . 80 ILE N . 15638 1
278 . 1 1 84 84 ALA H H 1 8.410 0.02 . 1 . . . . 81 ALA H . 15638 1
279 . 1 1 84 84 ALA C C 13 178.986 0.4 . 1 . . . . 81 ALA C . 15638 1
280 . 1 1 84 84 ALA CA C 13 55.098 0.45 . 1 . . . . 81 ALA CA . 15638 1
281 . 1 1 84 84 ALA N N 15 121.707 0.2 . 1 . . . . 81 ALA N . 15638 1
282 . 1 1 85 85 GLY H H 1 8.250 0.02 . 1 . . . . 82 GLY H . 15638 1
283 . 1 1 85 85 GLY C C 13 176.224 0.4 . 1 . . . . 82 GLY C . 15638 1
284 . 1 1 85 85 GLY CA C 13 47.689 0.45 . 1 . . . . 82 GLY CA . 15638 1
285 . 1 1 85 85 GLY N N 15 104.336 0.2 . 1 . . . . 82 GLY N . 15638 1
286 . 1 1 86 86 TYR H H 1 7.853 0.02 . 1 . . . . 83 TYR H . 15638 1
287 . 1 1 86 86 TYR C C 13 178.268 0.4 . 1 . . . . 83 TYR C . 15638 1
288 . 1 1 86 86 TYR CA C 13 60.525 0.45 . 1 . . . . 83 TYR CA . 15638 1
289 . 1 1 86 86 TYR N N 15 121.051 0.2 . 1 . . . . 83 TYR N . 15638 1
290 . 1 1 87 87 ALA H H 1 8.159 0.02 . 1 . . . . 84 ALA H . 15638 1
291 . 1 1 87 87 ALA C C 13 179.146 0.4 . 1 . . . . 84 ALA C . 15638 1
292 . 1 1 87 87 ALA CA C 13 54.822 0.45 . 1 . . . . 84 ALA CA . 15638 1
293 . 1 1 87 87 ALA N N 15 122.436 0.2 . 1 . . . . 84 ALA N . 15638 1
294 . 1 1 88 88 ILE H H 1 8.373 0.02 . 1 . . . . 85 ILE H . 15638 1
295 . 1 1 88 88 ILE C C 13 178.141 0.4 . 1 . . . . 85 ILE C . 15638 1
296 . 1 1 88 88 ILE CA C 13 64.689 0.45 . 1 . . . . 85 ILE CA . 15638 1
297 . 1 1 88 88 ILE N N 15 117.076 0.2 . 1 . . . . 85 ILE N . 15638 1
298 . 1 1 89 89 ALA H H 1 8.034 0.02 . 1 . . . . 86 ALA H . 15638 1
299 . 1 1 89 89 ALA C C 13 180.105 0.4 . 1 . . . . 86 ALA C . 15638 1
300 . 1 1 89 89 ALA CA C 13 55.202 0.45 . 1 . . . . 86 ALA CA . 15638 1
301 . 1 1 89 89 ALA N N 15 123.334 0.2 . 1 . . . . 86 ALA N . 15638 1
302 . 1 1 90 90 GLY H H 1 8.119 0.02 . 1 . . . . 87 GLY H . 15638 1
303 . 1 1 90 90 GLY C C 13 175.833 0.4 . 1 . . . . 87 GLY C . 15638 1
304 . 1 1 90 90 GLY CA C 13 47.009 0.45 . 1 . . . . 87 GLY CA . 15638 1
305 . 1 1 90 90 GLY N N 15 105.344 0.2 . 1 . . . . 87 GLY N . 15638 1
306 . 1 1 91 91 PHE H H 1 8.298 0.02 . 1 . . . . 88 PHE H . 15638 1
307 . 1 1 91 91 PHE C C 13 177.375 0.4 . 1 . . . . 88 PHE C . 15638 1
308 . 1 1 91 91 PHE CA C 13 60.966 0.45 . 1 . . . . 88 PHE CA . 15638 1
309 . 1 1 91 91 PHE N N 15 121.309 0.2 . 1 . . . . 88 PHE N . 15638 1
310 . 1 1 92 92 SER H H 1 8.428 0.02 . 1 . . . . 89 SER H . 15638 1
311 . 1 1 92 92 SER C C 13 175.878 0.4 . 1 . . . . 89 SER C . 15638 1
312 . 1 1 92 92 SER CA C 13 61.443 0.45 . 1 . . . . 89 SER CA . 15638 1
313 . 1 1 92 92 SER N N 15 114.530 0.2 . 1 . . . . 89 SER N . 15638 1
314 . 1 1 93 93 GLU H H 1 7.886 0.02 . 1 . . . . 90 GLU H . 15638 1
315 . 1 1 93 93 GLU C C 13 176.890 0.4 . 1 . . . . 90 GLU C . 15638 1
316 . 1 1 93 93 GLU CA C 13 57.692 0.45 . 1 . . . . 90 GLU CA . 15638 1
317 . 1 1 93 93 GLU N N 15 118.901 0.2 . 1 . . . . 90 GLU N . 15638 1
318 . 1 1 94 94 ARG H H 1 7.496 0.02 . 1 . . . . 91 ARG H . 15638 1
319 . 1 1 94 94 ARG C C 13 176.650 0.4 . 1 . . . . 91 ARG C . 15638 1
320 . 1 1 94 94 ARG CA C 13 57.440 0.45 . 1 . . . . 91 ARG CA . 15638 1
321 . 1 1 94 94 ARG N N 15 116.894 0.2 . 1 . . . . 91 ARG N . 15638 1
322 . 1 1 95 95 TYR H H 1 7.657 0.02 . 1 . . . . 92 TYR H . 15638 1
323 . 1 1 95 95 TYR C C 13 175.179 0.4 . 1 . . . . 92 TYR C . 15638 1
324 . 1 1 95 95 TYR CA C 13 58.884 0.45 . 1 . . . . 92 TYR CA . 15638 1
325 . 1 1 95 95 TYR N N 15 115.899 0.2 . 1 . . . . 92 TYR N . 15638 1
326 . 1 1 96 96 TRP H H 1 7.738 0.02 . 1 . . . . 93 TRP H . 15638 1
327 . 1 1 96 96 TRP C C 13 174.859 0.4 . 1 . . . . 93 TRP C . 15638 1
328 . 1 1 96 96 TRP CA C 13 57.217 0.45 . 1 . . . . 93 TRP CA . 15638 1
329 . 1 1 96 96 TRP N N 15 119.856 0.2 . 1 . . . . 93 TRP N . 15638 1
330 . 1 1 97 97 HIS H H 1 7.616 0.02 . 1 . . . . 94 HIS H . 15638 1
331 . 1 1 97 97 HIS CA C 13 55.403 0.45 . 1 . . . . 94 HIS CA . 15638 1
332 . 1 1 97 97 HIS N N 15 121.072 0.2 . 1 . . . . 94 HIS N . 15638 1
stop_
save_