###################################
# 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 25754
_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 DQF-COSY' . . . 25754 1
2 '2D 1H-1H NOESY' . . . 25754 1
3 '2D 1H-1H TOCSY' . . . 25754 1
4 '2D 1H-13C HSQC' . . . 25754 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 $Mestrenova . . 25754 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 1 1 GLY HA2 H 1 3.440 0.042 . 2 . . . A 1 GLY HA2 . 25754 1
2 . 1 1 1 1 GLY HA3 H 1 2.960 0.041 . 2 . . . A 1 GLY HA3 . 25754 1
3 . 1 1 1 1 GLY H H 1 7.116 0.023 . 1 . . . A 1 GLY H1 . 25754 1
4 . 1 1 1 1 GLY CA C 13 44.044 0.792 . 1 . . . A 1 GLY CA . 25754 1
5 . 1 1 2 2 LEU H H 1 8.432 0.023 . 1 . . . A 2 LEU H . 25754 1
6 . 1 1 2 2 LEU HA H 1 4.819 0.043 . 1 . . . A 2 LEU HA . 25754 1
7 . 1 1 2 2 LEU HB2 H 1 1.755 0.030 . 2 . . . A 2 LEU HB2 . 25754 1
8 . 1 1 2 2 LEU HB3 H 1 1.356 0.038 . 2 . . . A 2 LEU HB3 . 25754 1
9 . 1 1 2 2 LEU HG H 1 1.314 0.032 . 1 . . . A 2 LEU HG . 25754 1
10 . 1 1 2 2 LEU HD11 H 1 0.756 0.021 . 2 . . . A 2 LEU HD11 . 25754 1
11 . 1 1 2 2 LEU HD12 H 1 0.756 0.021 . 2 . . . A 2 LEU HD12 . 25754 1
12 . 1 1 2 2 LEU HD13 H 1 0.756 0.021 . 2 . . . A 2 LEU HD13 . 25754 1
13 . 1 1 2 2 LEU HD21 H 1 0.658 0.030 . 2 . . . A 2 LEU HD21 . 25754 1
14 . 1 1 2 2 LEU HD22 H 1 0.658 0.030 . 2 . . . A 2 LEU HD22 . 25754 1
15 . 1 1 2 2 LEU HD23 H 1 0.658 0.030 . 2 . . . A 2 LEU HD23 . 25754 1
16 . 1 1 2 2 LEU CA C 13 51.361 0.593 . 1 . . . A 2 LEU CA . 25754 1
17 . 1 1 2 2 LEU CB C 13 40.525 0.648 . 1 . . . A 2 LEU CB . 25754 1
18 . 1 1 2 2 LEU CG C 13 24.341 1.097 . 1 . . . A 2 LEU CG . 25754 1
19 . 1 1 2 2 LEU CD1 C 13 22.596 0.731 . 2 . . . A 2 LEU CD1 . 25754 1
20 . 1 1 2 2 LEU CD2 C 13 20.238 0.907 . 2 . . . A 2 LEU CD2 . 25754 1
21 . 1 1 3 3 SER H H 1 8.665 0.018 . 1 . . . A 3 SER H . 25754 1
22 . 1 1 3 3 SER HA H 1 4.747 0.035 . 1 . . . A 3 SER HA . 25754 1
23 . 1 1 3 3 SER HB2 H 1 3.947 0.021 . 2 . . . A 3 SER HB2 . 25754 1
24 . 1 1 3 3 SER HB3 H 1 3.492 0.049 . 2 . . . A 3 SER HB3 . 25754 1
25 . 1 1 3 3 SER CA C 13 57.051 0.433 . 1 . . . A 3 SER CA . 25754 1
26 . 1 1 3 3 SER CB C 13 62.680 0.790 . 1 . . . A 3 SER CB . 25754 1
27 . 1 1 4 4 GLN H H 1 8.242 0.016 . 1 . . . A 4 GLN H . 25754 1
28 . 1 1 4 4 GLN HA H 1 4.483 0.035 . 1 . . . A 4 GLN HA . 25754 1
29 . 1 1 4 4 GLN HB2 H 1 1.948 0.025 . 2 . . . A 4 GLN HB2 . 25754 1
30 . 1 1 4 4 GLN HB3 H 1 1.851 0.032 . 2 . . . A 4 GLN HB3 . 25754 1
31 . 1 1 4 4 GLN HG2 H 1 2.320 0.047 . 1 . . . A 4 GLN HG2 . 25754 1
32 . 1 1 4 4 GLN HG3 H 1 2.320 0.047 . 1 . . . A 4 GLN HG3 . 25754 1
33 . 1 1 4 4 GLN HE21 H 1 6.933 0.016 . 2 . . . A 4 GLN HE21 . 25754 1
34 . 1 1 4 4 GLN HE22 H 1 7.530 0.010 . 2 . . . A 4 GLN HE22 . 25754 1
35 . 1 1 4 4 GLN CA C 13 53.175 0.571 . 1 . . . A 4 GLN CA . 25754 1
36 . 1 1 4 4 GLN CB C 13 26.441 0.737 . 1 . . . A 4 GLN CB . 25754 1
37 . 1 1 4 4 GLN CG C 13 31.237 0.879 . 1 . . . A 4 GLN CG . 25754 1
38 . 1 1 5 5 GLY H H 1 7.057 0.015 . 1 . . . A 5 GLY H . 25754 1
39 . 1 1 5 5 GLY HA2 H 1 4.004 0.039 . 2 . . . A 5 GLY HA2 . 25754 1
40 . 1 1 5 5 GLY HA3 H 1 3.744 0.042 . 2 . . . A 5 GLY HA3 . 25754 1
41 . 1 1 5 5 GLY CA C 13 43.142 0.668 . 1 . . . A 5 GLY CA . 25754 1
42 . 1 1 6 6 VAL H H 1 8.325 0.013 . 1 . . . A 6 VAL H . 25754 1
43 . 1 1 6 6 VAL HA H 1 3.977 0.016 . 1 . . . A 6 VAL HA . 25754 1
44 . 1 1 6 6 VAL HB H 1 1.939 0.022 . 1 . . . A 6 VAL HB . 25754 1
45 . 1 1 6 6 VAL HG11 H 1 0.712 0.025 . 2 . . . A 6 VAL HG11 . 25754 1
46 . 1 1 6 6 VAL HG12 H 1 0.712 0.025 . 2 . . . A 6 VAL HG12 . 25754 1
47 . 1 1 6 6 VAL HG13 H 1 0.712 0.025 . 2 . . . A 6 VAL HG13 . 25754 1
48 . 1 1 6 6 VAL HG21 H 1 0.688 0.023 . 2 . . . A 6 VAL HG21 . 25754 1
49 . 1 1 6 6 VAL HG22 H 1 0.688 0.023 . 2 . . . A 6 VAL HG22 . 25754 1
50 . 1 1 6 6 VAL HG23 H 1 0.688 0.023 . 2 . . . A 6 VAL HG23 . 25754 1
51 . 1 1 6 6 VAL CA C 13 59.052 0.805 . 1 . . . A 6 VAL CA . 25754 1
52 . 1 1 6 6 VAL CB C 13 31.843 0.877 . 1 . . . A 6 VAL CB . 25754 1
53 . 1 1 6 6 VAL CG1 C 13 16.612 0.825 . 2 . . . A 6 VAL CG1 . 25754 1
54 . 1 1 6 6 VAL CG2 C 13 18.359 0.846 . 2 . . . A 6 VAL CG2 . 25754 1
55 . 1 1 7 7 GLU H H 1 8.970 0.018 . 1 . . . A 7 GLU H . 25754 1
56 . 1 1 7 7 GLU HA H 1 5.031 0.034 . 1 . . . A 7 GLU HA . 25754 1
57 . 1 1 7 7 GLU HB2 H 1 2.358 0.030 . 2 . . . A 7 GLU HB2 . 25754 1
58 . 1 1 7 7 GLU HB3 H 1 2.171 0.034 . 2 . . . A 7 GLU HB3 . 25754 1
59 . 1 1 7 7 GLU HG2 H 1 2.564 0.016 . 2 . . . A 7 GLU HG2 . 25754 1
60 . 1 1 7 7 GLU HG3 H 1 2.494 0.016 . 2 . . . A 7 GLU HG3 . 25754 1
61 . 1 1 7 7 GLU CA C 13 50.017 0.672 . 1 . . . A 7 GLU CA . 25754 1
62 . 1 1 7 7 GLU CB C 13 26.395 0.715 . 1 . . . A 7 GLU CB . 25754 1
63 . 1 1 7 7 GLU CG C 13 29.801 0.789 . 1 . . . A 7 GLU CG . 25754 1
64 . 1 1 8 8 PRO HA H 1 3.657 0.021 . 1 . . . A 8 PRO HA . 25754 1
65 . 1 1 8 8 PRO HB2 H 1 1.754 0.022 . 2 . . . A 8 PRO HB2 . 25754 1
66 . 1 1 8 8 PRO HB3 H 1 2.136 0.030 . 2 . . . A 8 PRO HB3 . 25754 1
67 . 1 1 8 8 PRO HG2 H 1 1.863 0.028 . 2 . . . A 8 PRO HG2 . 25754 1
68 . 1 1 8 8 PRO HG3 H 1 2.068 0.017 . 2 . . . A 8 PRO HG3 . 25754 1
69 . 1 1 8 8 PRO HD2 H 1 3.786 0.020 . 2 . . . A 8 PRO HD2 . 25754 1
70 . 1 1 8 8 PRO HD3 H 1 4.355 0.016 . 2 . . . A 8 PRO HD3 . 25754 1
71 . 1 1 8 8 PRO CA C 13 61.427 1.022 . 1 . . . A 8 PRO CA . 25754 1
72 . 1 1 8 8 PRO CB C 13 29.987 0.589 . 1 . . . A 8 PRO CB . 25754 1
73 . 1 1 8 8 PRO CG C 13 25.059 0.712 . 1 . . . A 8 PRO CG . 25754 1
74 . 1 1 8 8 PRO CD C 13 48.997 0.671 . 1 . . . A 8 PRO CD . 25754 1
75 . 1 1 9 9 ASP H H 1 7.742 0.019 . 1 . . . A 9 ASP H . 25754 1
76 . 1 1 9 9 ASP HA H 1 4.490 0.034 . 1 . . . A 9 ASP HA . 25754 1
77 . 1 1 9 9 ASP HB2 H 1 2.182 0.061 . 2 . . . A 9 ASP HB2 . 25754 1
78 . 1 1 9 9 ASP HB3 H 1 0.849 0.037 . 2 . . . A 9 ASP HB3 . 25754 1
79 . 1 1 9 9 ASP CB C 13 32.778 0.661 . 1 . . . A 9 ASP CB . 25754 1
80 . 1 1 10 10 ILE H H 1 6.912 0.018 . 1 . . . A 10 ILE H . 25754 1
81 . 1 1 10 10 ILE HA H 1 3.980 0.036 . 1 . . . A 10 ILE HA . 25754 1
82 . 1 1 10 10 ILE HB H 1 1.418 0.035 . 1 . . . A 10 ILE HB . 25754 1
83 . 1 1 10 10 ILE HG12 H 1 0.735 0.036 . 2 . . . A 10 ILE HG12 . 25754 1
84 . 1 1 10 10 ILE HG13 H 1 1.088 0.030 . 2 . . . A 10 ILE HG13 . 25754 1
85 . 1 1 10 10 ILE HG21 H 1 0.600 0.032 . 1 . . . A 10 ILE HG21 . 25754 1
86 . 1 1 10 10 ILE HG22 H 1 0.600 0.032 . 1 . . . A 10 ILE HG22 . 25754 1
87 . 1 1 10 10 ILE HG23 H 1 0.600 0.032 . 1 . . . A 10 ILE HG23 . 25754 1
88 . 1 1 10 10 ILE HD11 H 1 0.572 0.048 . 1 . . . A 10 ILE HD11 . 25754 1
89 . 1 1 10 10 ILE HD12 H 1 0.572 0.048 . 1 . . . A 10 ILE HD12 . 25754 1
90 . 1 1 10 10 ILE HD13 H 1 0.572 0.048 . 1 . . . A 10 ILE HD13 . 25754 1
91 . 1 1 10 10 ILE CA C 13 56.694 0.832 . 1 . . . A 10 ILE CA . 25754 1
92 . 1 1 10 10 ILE CB C 13 37.376 0.773 . 1 . . . A 10 ILE CB . 25754 1
93 . 1 1 10 10 ILE CG1 C 13 23.979 0.841 . 1 . . . A 10 ILE CG1 . 25754 1
94 . 1 1 10 10 ILE CG2 C 13 14.367 0.919 . 1 . . . A 10 ILE CG2 . 25754 1
95 . 1 1 10 10 ILE CD1 C 13 10.262 0.913 . 1 . . . A 10 ILE CD1 . 25754 1
96 . 1 1 11 11 GLY H H 1 8.381 0.023 . 1 . . . A 11 GLY H . 25754 1
97 . 1 1 11 11 GLY HA2 H 1 3.613 0.037 . 2 . . . A 11 GLY HA2 . 25754 1
98 . 1 1 11 11 GLY HA3 H 1 3.484 0.049 . 2 . . . A 11 GLY HA3 . 25754 1
99 . 1 1 11 11 GLY CA C 13 44.374 0.708 . 1 . . . A 11 GLY CA . 25754 1
100 . 1 1 12 12 GLN H H 1 8.824 0.012 . 1 . . . A 12 GLN H . 25754 1
101 . 1 1 12 12 GLN HA H 1 4.305 0.023 . 1 . . . A 12 GLN HA . 25754 1
102 . 1 1 12 12 GLN HB2 H 1 2.252 0.023 . 2 . . . A 12 GLN HB2 . 25754 1
103 . 1 1 12 12 GLN HB3 H 1 1.742 0.039 . 2 . . . A 12 GLN HB3 . 25754 1
104 . 1 1 12 12 GLN HG2 H 1 2.204 0.013 . 1 . . . A 12 GLN HG2 . 25754 1
105 . 1 1 12 12 GLN HG3 H 1 2.204 0.013 . 1 . . . A 12 GLN HG3 . 25754 1
106 . 1 1 12 12 GLN HE21 H 1 6.714 0.018 . 2 . . . A 12 GLN HE21 . 25754 1
107 . 1 1 12 12 GLN HE22 H 1 7.424 0.023 . 2 . . . A 12 GLN HE22 . 25754 1
108 . 1 1 12 12 GLN CA C 13 52.464 0.668 . 1 . . . A 12 GLN CA . 25754 1
109 . 1 1 12 12 GLN CB C 13 26.459 0.656 . 1 . . . A 12 GLN CB . 25754 1
110 . 1 1 12 12 GLN CG C 13 31.725 0.811 . 1 . . . A 12 GLN CG . 25754 1
111 . 1 1 13 13 THR H H 1 8.353 0.012 . 1 . . . A 13 THR H . 25754 1
112 . 1 1 13 13 THR HA H 1 4.473 0.026 . 1 . . . A 13 THR HA . 25754 1
113 . 1 1 13 13 THR HB H 1 4.394 0.028 . 1 . . . A 13 THR HB . 25754 1
114 . 1 1 13 13 THR HG21 H 1 0.849 0.039 . 1 . . . A 13 THR HG21 . 25754 1
115 . 1 1 13 13 THR HG22 H 1 0.849 0.039 . 1 . . . A 13 THR HG22 . 25754 1
116 . 1 1 13 13 THR HG23 H 1 0.849 0.039 . 1 . . . A 13 THR HG23 . 25754 1
117 . 1 1 13 13 THR CA C 13 58.097 0.650 . 1 . . . A 13 THR CA . 25754 1
118 . 1 1 13 13 THR CB C 13 67.244 0.712 . 1 . . . A 13 THR CB . 25754 1
119 . 1 1 13 13 THR CG2 C 13 19.073 0.710 . 1 . . . A 13 THR CG2 . 25754 1
120 . 1 1 14 14 TYR H H 1 8.730 0.023 . 1 . . . A 14 TYR H . 25754 1
121 . 1 1 14 14 TYR HA H 1 4.637 0.053 . 1 . . . A 14 TYR HA . 25754 1
122 . 1 1 14 14 TYR HB2 H 1 2.675 0.033 . 2 . . . A 14 TYR HB2 . 25754 1
123 . 1 1 14 14 TYR HB3 H 1 2.035 0.039 . 2 . . . A 14 TYR HB3 . 25754 1
124 . 1 1 14 14 TYR HD1 H 1 6.636 0.016 . 1 . . . A 14 TYR HD1 . 25754 1
125 . 1 1 14 14 TYR HD2 H 1 6.636 0.016 . 1 . . . A 14 TYR HD2 . 25754 1
126 . 1 1 14 14 TYR HE1 H 1 6.564 0.019 . 1 . . . A 14 TYR HE1 . 25754 1
127 . 1 1 14 14 TYR HE2 H 1 6.564 0.019 . 1 . . . A 14 TYR HE2 . 25754 1
128 . 1 1 14 14 TYR CA C 13 48.837 0.700 . 1 . . . A 14 TYR CA . 25754 1
129 . 1 1 14 14 TYR CB C 13 38.846 0.743 . 1 . . . A 14 TYR CB . 25754 1
130 . 1 1 14 14 TYR CD1 C 13 129.840 1.010 . 3 . . . A 14 TYR CD1 . 25754 1
131 . 1 1 14 14 TYR CD2 C 13 129.840 1.010 . 3 . . . A 14 TYR CD2 . 25754 1
132 . 1 1 14 14 TYR CE1 C 13 115.779 0.868 . 3 . . . A 14 TYR CE1 . 25754 1
133 . 1 1 14 14 TYR CE2 C 13 115.779 0.868 . 3 . . . A 14 TYR CE2 . 25754 1
134 . 1 1 15 15 PHE H H 1 8.338 0.016 . 1 . . . A 15 PHE H . 25754 1
135 . 1 1 15 15 PHE HA H 1 4.526 0.028 . 1 . . . A 15 PHE HA . 25754 1
136 . 1 1 15 15 PHE HB2 H 1 3.170 0.028 . 2 . . . A 15 PHE HB2 . 25754 1
137 . 1 1 15 15 PHE HB3 H 1 2.603 0.035 . 2 . . . A 15 PHE HB3 . 25754 1
138 . 1 1 15 15 PHE HD1 H 1 7.107 0.019 . 1 . . . A 15 PHE HD1 . 25754 1
139 . 1 1 15 15 PHE HD2 H 1 7.107 0.019 . 1 . . . A 15 PHE HD2 . 25754 1
140 . 1 1 15 15 PHE HE1 H 1 7.214 0.012 . 1 . . . A 15 PHE HE1 . 25754 1
141 . 1 1 15 15 PHE HE2 H 1 7.214 0.012 . 1 . . . A 15 PHE HE2 . 25754 1
142 . 1 1 15 15 PHE HZ H 1 7.092 0.051 . 1 . . . A 15 PHE HZ . 25754 1
143 . 1 1 15 15 PHE CA C 13 57.055 0.650 . 1 . . . A 15 PHE CA . 25754 1
144 . 1 1 15 15 PHE CB C 13 37.131 0.699 . 1 . . . A 15 PHE CB . 25754 1
145 . 1 1 15 15 PHE CD1 C 13 128.621 1.016 . 3 . . . A 15 PHE CD1 . 25754 1
146 . 1 1 15 15 PHE CD2 C 13 128.621 1.016 . 3 . . . A 15 PHE CD2 . 25754 1
147 . 1 1 15 15 PHE CE1 C 13 129.126 1.037 . 3 . . . A 15 PHE CE1 . 25754 1
148 . 1 1 15 15 PHE CE2 C 13 129.126 1.037 . 3 . . . A 15 PHE CE2 . 25754 1
149 . 1 1 15 15 PHE CZ C 13 127.871 0.876 . 1 . . . A 15 PHE CZ . 25754 1
150 . 1 1 16 16 GLU H H 1 8.965 0.013 . 1 . . . A 16 GLU H . 25754 1
151 . 1 1 16 16 GLU HA H 1 4.259 0.028 . 1 . . . A 16 GLU HA . 25754 1
152 . 1 1 16 16 GLU HB2 H 1 2.086 0.035 . 2 . . . A 16 GLU HB2 . 25754 1
153 . 1 1 16 16 GLU HB3 H 1 2.022 0.034 . 2 . . . A 16 GLU HB3 . 25754 1
154 . 1 1 16 16 GLU HG2 H 1 2.508 0.038 . 1 . . . A 16 GLU HG2 . 25754 1
155 . 1 1 16 16 GLU HG3 H 1 2.508 0.038 . 1 . . . A 16 GLU HG3 . 25754 1
156 . 1 1 16 16 GLU CA C 13 53.525 0.907 . 1 . . . A 16 GLU CA . 25754 1
157 . 1 1 16 16 GLU CB C 13 25.722 0.697 . 1 . . . A 16 GLU CB . 25754 1
158 . 1 1 16 16 GLU CG C 13 29.987 0.725 . 1 . . . A 16 GLU CG . 25754 1
159 . 1 1 17 17 GLU H H 1 8.830 0.015 . 1 . . . A 17 GLU H . 25754 1
160 . 1 1 17 17 GLU HA H 1 4.322 0.013 . 1 . . . A 17 GLU HA . 25754 1
161 . 1 1 17 17 GLU HB2 H 1 2.025 0.042 . 2 . . . A 17 GLU HB2 . 25754 1
162 . 1 1 17 17 GLU HB3 H 1 1.927 0.016 . 2 . . . A 17 GLU HB3 . 25754 1
163 . 1 1 17 17 GLU HG2 H 1 2.464 0.022 . 2 . . . A 17 GLU HG2 . 25754 1
164 . 1 1 17 17 GLU HG3 H 1 2.417 0.017 . 2 . . . A 17 GLU HG3 . 25754 1
165 . 1 1 17 17 GLU CA C 13 53.193 0.712 . 1 . . . A 17 GLU CA . 25754 1
166 . 1 1 17 17 GLU CB C 13 26.465 0.630 . 1 . . . A 17 GLU CB . 25754 1
167 . 1 1 17 17 GLU CG C 13 30.334 0.726 . 1 . . . A 17 GLU CG . 25754 1
168 . 1 1 18 18 SER H H 1 8.367 0.016 . 1 . . . A 18 SER H . 25754 1
169 . 1 1 18 18 SER HA H 1 4.326 0.026 . 1 . . . A 18 SER HA . 25754 1
170 . 1 1 18 18 SER HB2 H 1 3.740 0.029 . 1 . . . A 18 SER HB2 . 25754 1
171 . 1 1 18 18 SER HB3 H 1 3.740 0.029 . 1 . . . A 18 SER HB3 . 25754 1
172 . 1 1 18 18 SER CA C 13 55.566 0.690 . 1 . . . A 18 SER CA . 25754 1
173 . 1 1 18 18 SER CB C 13 61.011 0.956 . 1 . . . A 18 SER CB . 25754 1
174 . 1 1 19 19 ARG H H 1 8.301 0.012 . 1 . . . A 19 ARG H . 25754 1
175 . 1 1 19 19 ARG HA H 1 4.253 0.021 . 1 . . . A 19 ARG HA . 25754 1
176 . 1 1 19 19 ARG HB2 H 1 1.732 0.026 . 2 . . . A 19 ARG HB2 . 25754 1
177 . 1 1 19 19 ARG HB3 H 1 1.620 0.021 . 2 . . . A 19 ARG HB3 . 25754 1
178 . 1 1 19 19 ARG HG2 H 1 1.466 0.042 . 1 . . . A 19 ARG HG2 . 25754 1
179 . 1 1 19 19 ARG HG3 H 1 1.466 0.042 . 1 . . . A 19 ARG HG3 . 25754 1
180 . 1 1 19 19 ARG HD2 H 1 3.054 0.013 . 1 . . . A 19 ARG HD2 . 25754 1
181 . 1 1 19 19 ARG HD3 H 1 3.054 0.013 . 1 . . . A 19 ARG HD3 . 25754 1
182 . 1 1 19 19 ARG HE H 1 7.028 0.023 . 1 . . . A 19 ARG HE . 25754 1
183 . 1 1 19 19 ARG CA C 13 59.143 0.668 . 1 . . . A 19 ARG CA . 25754 1
184 . 1 1 19 19 ARG CB C 13 28.021 0.748 . 1 . . . A 19 ARG CB . 25754 1
185 . 1 1 19 19 ARG CG C 13 24.354 0.771 . 1 . . . A 19 ARG CG . 25754 1
186 . 1 1 19 19 ARG CD C 13 40.540 1.045 . 1 . . . A 19 ARG CD . 25754 1
187 . 1 1 20 20 ILE H H 1 8.014 0.017 . 1 . . . A 20 ILE H . 25754 1
188 . 1 1 20 20 ILE HA H 1 4.017 0.024 . 1 . . . A 20 ILE HA . 25754 1
189 . 1 1 20 20 ILE HB H 1 1.704 0.038 . 1 . . . A 20 ILE HB . 25754 1
190 . 1 1 20 20 ILE HG12 H 1 1.035 0.034 . 2 . . . A 20 ILE HG12 . 25754 1
191 . 1 1 20 20 ILE HG13 H 1 1.309 0.025 . 2 . . . A 20 ILE HG13 . 25754 1
192 . 1 1 20 20 ILE HG21 H 1 0.750 0.024 . 1 . . . A 20 ILE HG21 . 25754 1
193 . 1 1 20 20 ILE HG22 H 1 0.750 0.024 . 1 . . . A 20 ILE HG22 . 25754 1
194 . 1 1 20 20 ILE HG23 H 1 0.750 0.024 . 1 . . . A 20 ILE HG23 . 25754 1
195 . 1 1 20 20 ILE HD11 H 1 0.714 0.016 . 1 . . . A 20 ILE HD11 . 25754 1
196 . 1 1 20 20 ILE HD12 H 1 0.714 0.016 . 1 . . . A 20 ILE HD12 . 25754 1
197 . 1 1 20 20 ILE HD13 H 1 0.714 0.016 . 1 . . . A 20 ILE HD13 . 25754 1
198 . 1 1 20 20 ILE CA C 13 58.457 0.748 . 1 . . . A 20 ILE CA . 25754 1
199 . 1 1 20 20 ILE CB C 13 35.948 0.731 . 1 . . . A 20 ILE CB . 25754 1
200 . 1 1 20 20 ILE CG1 C 13 24.369 0.970 . 1 . . . A 20 ILE CG1 . 25754 1
201 . 1 1 20 20 ILE CG2 C 13 14.557 0.898 . 1 . . . A 20 ILE CG2 . 25754 1
202 . 1 1 20 20 ILE CD1 C 13 10.059 1.141 . 1 . . . A 20 ILE CD1 . 25754 1
203 . 1 1 21 21 ASN H H 1 8.383 0.014 . 1 . . . A 21 ASN H . 25754 1
204 . 1 1 21 21 ASN HA H 1 4.557 0.034 . 1 . . . A 21 ASN HA . 25754 1
205 . 1 1 21 21 ASN HB2 H 1 2.698 0.023 . 2 . . . A 21 ASN HB2 . 25754 1
206 . 1 1 21 21 ASN HB3 H 1 2.612 0.025 . 2 . . . A 21 ASN HB3 . 25754 1
207 . 1 1 21 21 ASN HD21 H 1 6.771 0.033 . 2 . . . A 21 ASN HD21 . 25754 1
208 . 1 1 21 21 ASN HD22 H 1 7.472 0.011 . 2 . . . A 21 ASN HD22 . 25754 1
209 . 1 1 21 21 ASN CA C 13 50.547 0.615 . 1 . . . A 21 ASN CA . 25754 1
210 . 1 1 21 21 ASN CB C 13 35.964 0.814 . 1 . . . A 21 ASN CB . 25754 1
211 . 1 1 22 22 GLN H H 1 8.219 0.015 . 1 . . . A 22 GLN H . 25754 1
212 . 1 1 22 22 GLN HA H 1 4.220 0.037 . 1 . . . A 22 GLN HA . 25754 1
213 . 1 1 22 22 GLN HB2 H 1 2.004 0.027 . 2 . . . A 22 GLN HB2 . 25754 1
214 . 1 1 22 22 GLN HB3 H 1 1.836 0.033 . 2 . . . A 22 GLN HB3 . 25754 1
215 . 1 1 22 22 GLN HG2 H 1 2.226 0.025 . 1 . . . A 22 GLN HG2 . 25754 1
216 . 1 1 22 22 GLN HG3 H 1 2.226 0.025 . 1 . . . A 22 GLN HG3 . 25754 1
217 . 1 1 22 22 GLN HE21 H 1 6.735 0.014 . 2 . . . A 22 GLN HE21 . 25754 1
218 . 1 1 22 22 GLN HE22 H 1 7.377 0.021 . 2 . . . A 22 GLN HE22 . 25754 1
219 . 1 1 22 22 GLN CA C 13 53.030 0.907 . 1 . . . A 22 GLN CA . 25754 1
220 . 1 1 22 22 GLN CB C 13 26.808 0.654 . 1 . . . A 22 GLN CB . 25754 1
221 . 1 1 22 22 GLN CG C 13 31.023 0.595 . 1 . . . A 22 GLN CG . 25754 1
222 . 1 1 23 23 ASP H H 1 8.312 0.013 . 1 . . . A 23 ASP H . 25754 1
223 . 1 1 23 23 ASP HA H 1 4.593 0.027 . 1 . . . A 23 ASP HA . 25754 1
224 . 1 1 23 23 ASP HB2 H 1 2.809 0.035 . 1 . . . A 23 ASP HB2 . 25754 1
225 . 1 1 23 23 ASP HB3 H 1 2.809 0.035 . 1 . . . A 23 ASP HB3 . 25754 1
226 . 1 1 23 23 ASP CA C 13 49.692 0.690 . 1 . . . A 23 ASP CA . 25754 1
227 . 1 1 23 23 ASP CB C 13 35.609 0.942 . 1 . . . A 23 ASP CB . 25754 1
stop_
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