###################################
# 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 19232
_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' . . . 19232 1
2 '3D HNCA' . . . 19232 1
3 '3D HN(CO)CA' . . . 19232 1
4 '3D HNCACB' . . . 19232 1
5 '3D HN(COCA)CB' . . . 19232 1
6 '2D 1H-15N HSQC' . . . 19232 1
7 '3D HNCO' . . . 19232 1
8 '3D HCACO' . . . 19232 1
9 '4D HCCH methyl NOESY' . . . 19232 1
10 '3D HCCCONH' . . . 19232 1
11 '3D CCH TOCSY' . . . 19232 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 17 17 VAL HG11 H 1 0.764 0.020 . 2 . . . A 17 VAL HG11 . 19232 1
2 . 1 1 17 17 VAL HG12 H 1 0.764 0.020 . 2 . . . A 17 VAL HG12 . 19232 1
3 . 1 1 17 17 VAL HG13 H 1 0.764 0.020 . 2 . . . A 17 VAL HG13 . 19232 1
4 . 1 1 17 17 VAL HG21 H 1 0.885 0.020 . 2 . . . A 17 VAL HG21 . 19232 1
5 . 1 1 17 17 VAL HG22 H 1 0.885 0.020 . 2 . . . A 17 VAL HG22 . 19232 1
6 . 1 1 17 17 VAL HG23 H 1 0.885 0.020 . 2 . . . A 17 VAL HG23 . 19232 1
7 . 1 1 17 17 VAL CG1 C 13 18.120 0.300 . 1 . . . A 17 VAL CG1 . 19232 1
8 . 1 1 17 17 VAL CG2 C 13 18.950 0.300 . 1 . . . A 17 VAL CG2 . 19232 1
9 . 1 1 18 18 SER H H 1 8.786 0.020 . 1 . . . A 18 SER H . 19232 1
10 . 1 1 18 18 SER N N 15 122.200 0.300 . 1 . . . A 18 SER N . 19232 1
11 . 1 1 19 19 TYR H H 1 8.135 0.020 . 1 . . . A 19 TYR H . 19232 1
12 . 1 1 19 19 TYR N N 15 115.700 0.300 . 1 . . . A 19 TYR N . 19232 1
13 . 1 1 20 20 ASP H H 1 9.595 0.020 . 1 . . . A 20 ASP H . 19232 1
14 . 1 1 20 20 ASP N N 15 126.400 0.300 . 1 . . . A 20 ASP N . 19232 1
15 . 1 1 22 22 THR H H 1 8.875 0.020 . 1 . . . A 22 THR H . 19232 1
16 . 1 1 22 22 THR N N 15 113.200 0.300 . 1 . . . A 22 THR N . 19232 1
17 . 1 1 23 23 LEU H H 1 6.765 0.020 . 1 . . . A 23 LEU H . 19232 1
18 . 1 1 23 23 LEU HG H 1 1.530 0.020 . 1 . . . A 23 LEU HG . 19232 1
19 . 1 1 23 23 LEU HD11 H 1 0.554 0.020 . 2 . . . A 23 LEU HD11 . 19232 1
20 . 1 1 23 23 LEU HD12 H 1 0.554 0.020 . 2 . . . A 23 LEU HD12 . 19232 1
21 . 1 1 23 23 LEU HD13 H 1 0.554 0.020 . 2 . . . A 23 LEU HD13 . 19232 1
22 . 1 1 23 23 LEU HD21 H 1 0.640 0.020 . 2 . . . A 23 LEU HD21 . 19232 1
23 . 1 1 23 23 LEU HD22 H 1 0.640 0.020 . 2 . . . A 23 LEU HD22 . 19232 1
24 . 1 1 23 23 LEU HD23 H 1 0.640 0.020 . 2 . . . A 23 LEU HD23 . 19232 1
25 . 1 1 23 23 LEU CG C 13 23.350 0.300 . 1 . . . A 23 LEU CG . 19232 1
26 . 1 1 23 23 LEU CD1 C 13 20.000 0.300 . 1 . . . A 23 LEU CD1 . 19232 1
27 . 1 1 23 23 LEU CD2 C 13 23.000 0.300 . 1 . . . A 23 LEU CD2 . 19232 1
28 . 1 1 23 23 LEU N N 15 122.800 0.300 . 1 . . . A 23 LEU N . 19232 1
29 . 1 1 26 26 ASP H H 1 9.395 0.020 . 1 . . . A 26 ASP H . 19232 1
30 . 1 1 26 26 ASP N N 15 123.500 0.300 . 1 . . . A 26 ASP N . 19232 1
31 . 1 1 27 27 HIS H H 1 7.965 0.020 . 1 . . . A 27 HIS H . 19232 1
32 . 1 1 27 27 HIS N N 15 116.900 0.300 . 1 . . . A 27 HIS N . 19232 1
33 . 1 1 28 28 ILE H H 1 8.115 0.020 . 1 . . . A 28 ILE H . 19232 1
34 . 1 1 28 28 ILE HG12 H 1 0.425 0.020 . 1 . . . A 28 ILE HG12 . 19232 1
35 . 1 1 28 28 ILE HG13 H 1 0.425 0.020 . 1 . . . A 28 ILE HG13 . 19232 1
36 . 1 1 28 28 ILE HD11 H 1 0.665 0.020 . 1 . . . A 28 ILE HD11 . 19232 1
37 . 1 1 28 28 ILE HD12 H 1 0.665 0.020 . 1 . . . A 28 ILE HD12 . 19232 1
38 . 1 1 28 28 ILE HD13 H 1 0.665 0.020 . 1 . . . A 28 ILE HD13 . 19232 1
39 . 1 1 28 28 ILE CG1 C 13 23.685 0.300 . 1 . . . A 28 ILE CG1 . 19232 1
40 . 1 1 28 28 ILE CD1 C 13 10.735 0.300 . 1 . . . A 28 ILE CD1 . 19232 1
41 . 1 1 28 28 ILE N N 15 113.200 0.300 . 1 . . . A 28 ILE N . 19232 1
42 . 1 1 29 29 LYS H H 1 8.610 0.020 . 1 . . . A 29 LYS H . 19232 1
43 . 1 1 29 29 LYS N N 15 123.200 0.300 . 1 . . . A 29 LYS N . 19232 1
44 . 1 1 30 30 VAL H H 1 8.130 0.020 . 1 . . . A 30 VAL H . 19232 1
45 . 1 1 30 30 VAL HG11 H 1 0.420 0.020 . 2 . . . A 30 VAL HG11 . 19232 1
46 . 1 1 30 30 VAL HG12 H 1 0.420 0.020 . 2 . . . A 30 VAL HG12 . 19232 1
47 . 1 1 30 30 VAL HG13 H 1 0.420 0.020 . 2 . . . A 30 VAL HG13 . 19232 1
48 . 1 1 30 30 VAL HG21 H 1 -0.002 0.300 . 2 . . . A 30 VAL HG21 . 19232 1
49 . 1 1 30 30 VAL HG22 H 1 -0.002 0.300 . 2 . . . A 30 VAL HG22 . 19232 1
50 . 1 1 30 30 VAL HG23 H 1 -0.002 0.300 . 2 . . . A 30 VAL HG23 . 19232 1
51 . 1 1 30 30 VAL CG1 C 13 17.460 0.300 . 1 . . . A 30 VAL CG1 . 19232 1
52 . 1 1 30 30 VAL CG2 C 13 17.660 0.300 . 1 . . . A 30 VAL CG2 . 19232 1
53 . 1 1 30 30 VAL N N 15 122.300 0.300 . 1 . . . A 30 VAL N . 19232 1
54 . 1 1 31 31 TYR H H 1 8.520 0.020 . 1 . . . A 31 TYR H . 19232 1
55 . 1 1 31 31 TYR N N 15 124.000 0.300 . 1 . . . A 31 TYR N . 19232 1
56 . 1 1 32 32 SER H H 1 7.295 0.020 . 1 . . . A 32 SER H . 19232 1
57 . 1 1 32 32 SER N N 15 117.600 0.300 . 1 . . . A 32 SER N . 19232 1
58 . 1 1 33 33 ARG H H 1 9.485 0.020 . 1 . . . A 33 ARG H . 19232 1
59 . 1 1 33 33 ARG N N 15 125.000 0.300 . 1 . . . A 33 ARG N . 19232 1
60 . 1 1 34 34 THR H H 1 9.235 0.020 . 1 . . . A 34 THR H . 19232 1
61 . 1 1 34 34 THR N N 15 119.400 0.300 . 1 . . . A 34 THR N . 19232 1
62 . 1 1 35 35 LEU H H 1 9.510 0.020 . 1 . . . A 35 LEU H . 19232 1
63 . 1 1 35 35 LEU HG H 1 1.370 0.020 . 1 . . . A 35 LEU HG . 19232 1
64 . 1 1 35 35 LEU HD11 H 1 0.315 0.020 . 2 . . . A 35 LEU HD11 . 19232 1
65 . 1 1 35 35 LEU HD12 H 1 0.315 0.020 . 2 . . . A 35 LEU HD12 . 19232 1
66 . 1 1 35 35 LEU HD13 H 1 0.315 0.020 . 2 . . . A 35 LEU HD13 . 19232 1
67 . 1 1 35 35 LEU HD21 H 1 0.435 0.020 . 2 . . . A 35 LEU HD21 . 19232 1
68 . 1 1 35 35 LEU HD22 H 1 0.435 0.020 . 2 . . . A 35 LEU HD22 . 19232 1
69 . 1 1 35 35 LEU HD23 H 1 0.435 0.020 . 2 . . . A 35 LEU HD23 . 19232 1
70 . 1 1 35 35 LEU CG C 13 23.420 0.300 . 1 . . . A 35 LEU CG . 19232 1
71 . 1 1 35 35 LEU CD1 C 13 20.350 0.300 . 1 . . . A 35 LEU CD1 . 19232 1
72 . 1 1 35 35 LEU CD2 C 13 21.450 0.300 . 1 . . . A 35 LEU CD2 . 19232 1
73 . 1 1 35 35 LEU N N 15 126.200 0.300 . 1 . . . A 35 LEU N . 19232 1
74 . 1 1 36 36 PHE H H 1 8.820 0.020 . 1 . . . A 36 PHE H . 19232 1
75 . 1 1 36 36 PHE N N 15 124.000 0.300 . 1 . . . A 36 PHE N . 19232 1
76 . 1 1 37 37 ILE H H 1 8.260 0.020 . 1 . . . A 37 ILE H . 19232 1
77 . 1 1 37 37 ILE HG12 H 1 0.900 0.020 . 1 . . . A 37 ILE HG12 . 19232 1
78 . 1 1 37 37 ILE HG13 H 1 0.900 0.020 . 1 . . . A 37 ILE HG13 . 19232 1
79 . 1 1 37 37 ILE HD11 H 1 0.370 0.020 . 1 . . . A 37 ILE HD11 . 19232 1
80 . 1 1 37 37 ILE HD12 H 1 0.370 0.020 . 1 . . . A 37 ILE HD12 . 19232 1
81 . 1 1 37 37 ILE HD13 H 1 0.370 0.020 . 1 . . . A 37 ILE HD13 . 19232 1
82 . 1 1 37 37 ILE CG1 C 13 22.910 0.300 . 1 . . . A 37 ILE CG1 . 19232 1
83 . 1 1 37 37 ILE CD1 C 13 9.550 0.300 . 1 . . . A 37 ILE CD1 . 19232 1
84 . 1 1 37 37 ILE N N 15 127.200 0.300 . 1 . . . A 37 ILE N . 19232 1
85 . 1 1 38 38 GLY H H 1 8.670 0.020 . 1 . . . A 38 GLY H . 19232 1
86 . 1 1 38 38 GLY N N 15 112.400 0.300 . 1 . . . A 38 GLY N . 19232 1
87 . 1 1 39 39 GLY H H 1 8.360 0.020 . 1 . . . A 39 GLY H . 19232 1
88 . 1 1 39 39 GLY N N 15 108.300 0.300 . 1 . . . A 39 GLY N . 19232 1
89 . 1 1 40 40 VAL H H 1 7.380 0.020 . 1 . . . A 40 VAL H . 19232 1
90 . 1 1 40 40 VAL HB H 1 1.225 0.020 . 1 . . . A 40 VAL HB . 19232 1
91 . 1 1 40 40 VAL HG11 H 1 0.363 0.020 . 2 . . . A 40 VAL HG11 . 19232 1
92 . 1 1 40 40 VAL HG12 H 1 0.363 0.020 . 2 . . . A 40 VAL HG12 . 19232 1
93 . 1 1 40 40 VAL HG13 H 1 0.363 0.020 . 2 . . . A 40 VAL HG13 . 19232 1
94 . 1 1 40 40 VAL HG21 H 1 0.714 0.020 . 2 . . . A 40 VAL HG21 . 19232 1
95 . 1 1 40 40 VAL HG22 H 1 0.714 0.020 . 2 . . . A 40 VAL HG22 . 19232 1
96 . 1 1 40 40 VAL HG23 H 1 0.714 0.020 . 2 . . . A 40 VAL HG23 . 19232 1
97 . 1 1 40 40 VAL CG1 C 13 18.160 0.300 . 1 . . . A 40 VAL CG1 . 19232 1
98 . 1 1 40 40 VAL CG2 C 13 17.770 0.300 . 1 . . . A 40 VAL CG2 . 19232 1
99 . 1 1 40 40 VAL N N 15 121.200 0.300 . 1 . . . A 40 VAL N . 19232 1
100 . 1 1 42 42 LEU H H 1 8.225 0.020 . 1 . . . A 42 LEU H . 19232 1
101 . 1 1 42 42 LEU HG H 1 1.545 0.020 . 1 . . . A 42 LEU HG . 19232 1
102 . 1 1 42 42 LEU HD11 H 1 0.780 0.020 . 2 . . . A 42 LEU HD11 . 19232 1
103 . 1 1 42 42 LEU HD12 H 1 0.780 0.020 . 2 . . . A 42 LEU HD12 . 19232 1
104 . 1 1 42 42 LEU HD13 H 1 0.780 0.020 . 2 . . . A 42 LEU HD13 . 19232 1
105 . 1 1 42 42 LEU HD21 H 1 0.802 0.020 . 2 . . . A 42 LEU HD21 . 19232 1
106 . 1 1 42 42 LEU HD22 H 1 0.802 0.020 . 2 . . . A 42 LEU HD22 . 19232 1
107 . 1 1 42 42 LEU HD23 H 1 0.802 0.020 . 2 . . . A 42 LEU HD23 . 19232 1
108 . 1 1 42 42 LEU CG C 13 23.620 0.300 . 1 . . . A 42 LEU CG . 19232 1
109 . 1 1 42 42 LEU CD1 C 13 20.610 0.300 . 1 . . . A 42 LEU CD1 . 19232 1
110 . 1 1 42 42 LEU CD2 C 13 21.150 0.300 . 1 . . . A 42 LEU CD2 . 19232 1
111 . 1 1 42 42 LEU N N 15 120.800 0.300 . 1 . . . A 42 LEU N . 19232 1
112 . 1 1 43 43 ASN H H 1 7.980 0.020 . 1 . . . A 43 ASN H . 19232 1
113 . 1 1 43 43 ASN N N 15 112.300 0.300 . 1 . . . A 43 ASN N . 19232 1
114 . 1 1 44 44 MET H H 1 7.470 0.020 . 1 . . . A 44 MET H . 19232 1
115 . 1 1 44 44 MET N N 15 122.000 0.300 . 1 . . . A 44 MET N . 19232 1
116 . 1 1 45 45 LYS H H 1 8.945 0.020 . 1 . . . A 45 LYS H . 19232 1
117 . 1 1 45 45 LYS N N 15 124.100 0.300 . 1 . . . A 45 LYS N . 19232 1
118 . 1 1 46 46 GLU H H 1 9.985 0.020 . 1 . . . A 46 GLU H . 19232 1
119 . 1 1 46 46 GLU N N 15 122.400 0.300 . 1 . . . A 46 GLU N . 19232 1
120 . 1 1 47 47 TRP H H 1 7.840 0.020 . 1 . . . A 47 TRP H . 19232 1
121 . 1 1 47 47 TRP HE1 H 1 10.100 0.300 . 1 . . . A 47 TRP HE1 . 19232 1
122 . 1 1 47 47 TRP N N 15 115.200 0.300 . 1 . . . A 47 TRP N . 19232 1
123 . 1 1 47 47 TRP NE1 N 15 131.000 0.300 . 1 . . . A 47 TRP NE1 . 19232 1
124 . 1 1 48 48 ASP H H 1 6.700 0.020 . 1 . . . A 48 ASP H . 19232 1
125 . 1 1 48 48 ASP N N 15 118.900 0.300 . 1 . . . A 48 ASP N . 19232 1
126 . 1 1 49 49 LEU H H 1 7.555 0.020 . 1 . . . A 49 LEU H . 19232 1
127 . 1 1 49 49 LEU HG H 1 1.245 0.020 . 1 . . . A 49 LEU HG . 19232 1
128 . 1 1 49 49 LEU HD11 H 1 0.485 0.020 . 2 . . . A 49 LEU HD11 . 19232 1
129 . 1 1 49 49 LEU HD12 H 1 0.485 0.020 . 2 . . . A 49 LEU HD12 . 19232 1
130 . 1 1 49 49 LEU HD13 H 1 0.485 0.020 . 2 . . . A 49 LEU HD13 . 19232 1
131 . 1 1 49 49 LEU HD21 H 1 0.435 0.020 . 2 . . . A 49 LEU HD21 . 19232 1
132 . 1 1 49 49 LEU HD22 H 1 0.435 0.020 . 2 . . . A 49 LEU HD22 . 19232 1
133 . 1 1 49 49 LEU HD23 H 1 0.435 0.020 . 2 . . . A 49 LEU HD23 . 19232 1
134 . 1 1 49 49 LEU CG C 13 23.700 0.300 . 1 . . . A 49 LEU CG . 19232 1
135 . 1 1 49 49 LEU CD1 C 13 21.170 0.300 . 1 . . . A 49 LEU CD1 . 19232 1
136 . 1 1 49 49 LEU CD2 C 13 21.530 0.300 . 1 . . . A 49 LEU CD2 . 19232 1
137 . 1 1 49 49 LEU N N 15 120.300 0.300 . 1 . . . A 49 LEU N . 19232 1
138 . 1 1 50 50 ALA H H 1 7.705 0.020 . 1 . . . A 50 ALA H . 19232 1
139 . 1 1 50 50 ALA N N 15 118.800 0.300 . 1 . . . A 50 ALA N . 19232 1
140 . 1 1 51 51 ASN H H 1 7.805 0.020 . 1 . . . A 51 ASN H . 19232 1
141 . 1 1 51 51 ASN N N 15 115.900 0.300 . 1 . . . A 51 ASN N . 19232 1
142 . 1 1 52 52 VAL H H 1 7.855 0.020 . 1 . . . A 52 VAL H . 19232 1
143 . 1 1 52 52 VAL HB H 1 2.260 0.020 . 1 . . . A 52 VAL HB . 19232 1
144 . 1 1 52 52 VAL HG11 H 1 0.960 0.020 . 2 . . . A 52 VAL HG11 . 19232 1
145 . 1 1 52 52 VAL HG12 H 1 0.960 0.020 . 2 . . . A 52 VAL HG12 . 19232 1
146 . 1 1 52 52 VAL HG13 H 1 0.960 0.020 . 2 . . . A 52 VAL HG13 . 19232 1
147 . 1 1 52 52 VAL HG21 H 1 1.003 0.020 . 2 . . . A 52 VAL HG21 . 19232 1
148 . 1 1 52 52 VAL HG22 H 1 1.003 0.020 . 2 . . . A 52 VAL HG22 . 19232 1
149 . 1 1 52 52 VAL HG23 H 1 1.003 0.020 . 2 . . . A 52 VAL HG23 . 19232 1
150 . 1 1 52 52 VAL CG1 C 13 18.100 0.300 . 1 . . . A 52 VAL CG1 . 19232 1
151 . 1 1 52 52 VAL CG2 C 13 17.700 0.300 . 1 . . . A 52 VAL CG2 . 19232 1
152 . 1 1 52 52 VAL N N 15 116.000 0.300 . 1 . . . A 52 VAL N . 19232 1
153 . 1 1 53 53 LEU H H 1 6.925 0.020 . 1 . . . A 53 LEU H . 19232 1
154 . 1 1 53 53 LEU HG H 1 1.170 0.020 . 1 . . . A 53 LEU HG . 19232 1
155 . 1 1 53 53 LEU HD11 H 1 -0.422 0.300 . 2 . . . A 53 LEU HD11 . 19232 1
156 . 1 1 53 53 LEU HD12 H 1 -0.422 0.300 . 2 . . . A 53 LEU HD12 . 19232 1
157 . 1 1 53 53 LEU HD13 H 1 -0.422 0.300 . 2 . . . A 53 LEU HD13 . 19232 1
158 . 1 1 53 53 LEU HD21 H 1 0.145 0.020 . 2 . . . A 53 LEU HD21 . 19232 1
159 . 1 1 53 53 LEU HD22 H 1 0.145 0.020 . 2 . . . A 53 LEU HD22 . 19232 1
160 . 1 1 53 53 LEU HD23 H 1 0.145 0.020 . 2 . . . A 53 LEU HD23 . 19232 1
161 . 1 1 53 53 LEU CG C 13 23.200 0.300 . 1 . . . A 53 LEU CG . 19232 1
162 . 1 1 53 53 LEU CD1 C 13 18.280 0.300 . 1 . . . A 53 LEU CD1 . 19232 1
163 . 1 1 53 53 LEU CD2 C 13 22.310 0.300 . 1 . . . A 53 LEU CD2 . 19232 1
164 . 1 1 53 53 LEU N N 15 116.700 0.300 . 1 . . . A 53 LEU N . 19232 1
165 . 1 1 54 54 LYS H H 1 7.120 0.020 . 1 . . . A 54 LYS H . 19232 1
166 . 1 1 54 54 LYS N N 15 122.400 0.300 . 1 . . . A 54 LYS N . 19232 1
167 . 1 1 56 56 PHE H H 1 8.285 0.020 . 1 . . . A 56 PHE H . 19232 1
168 . 1 1 56 56 PHE N N 15 113.000 0.300 . 1 . . . A 56 PHE N . 19232 1
169 . 1 1 57 57 ALA H H 1 8.155 0.020 . 1 . . . A 57 ALA H . 19232 1
170 . 1 1 57 57 ALA N N 15 119.300 0.300 . 1 . . . A 57 ALA N . 19232 1
171 . 1 1 58 58 GLU H H 1 8.130 0.020 . 1 . . . A 58 GLU H . 19232 1
172 . 1 1 58 58 GLU N N 15 119.300 0.300 . 1 . . . A 58 GLU N . 19232 1
173 . 1 1 59 59 VAL H H 1 7.800 0.020 . 1 . . . A 59 VAL H . 19232 1
174 . 1 1 59 59 VAL HB H 1 1.645 0.020 . 1 . . . A 59 VAL HB . 19232 1
175 . 1 1 59 59 VAL HG11 H 1 0.565 0.020 . 2 . . . A 59 VAL HG11 . 19232 1
176 . 1 1 59 59 VAL HG12 H 1 0.565 0.020 . 2 . . . A 59 VAL HG12 . 19232 1
177 . 1 1 59 59 VAL HG13 H 1 0.565 0.020 . 2 . . . A 59 VAL HG13 . 19232 1
178 . 1 1 59 59 VAL HG21 H 1 0.480 0.020 . 2 . . . A 59 VAL HG21 . 19232 1
179 . 1 1 59 59 VAL HG22 H 1 0.480 0.020 . 2 . . . A 59 VAL HG22 . 19232 1
180 . 1 1 59 59 VAL HG23 H 1 0.480 0.020 . 2 . . . A 59 VAL HG23 . 19232 1
181 . 1 1 59 59 VAL CG1 C 13 19.440 0.300 . 1 . . . A 59 VAL CG1 . 19232 1
182 . 1 1 59 59 VAL CG2 C 13 19.010 0.300 . 1 . . . A 59 VAL CG2 . 19232 1
183 . 1 1 59 59 VAL N N 15 124.200 0.300 . 1 . . . A 59 VAL N . 19232 1
184 . 1 1 60 60 GLN H H 1 8.720 0.020 . 1 . . . A 60 GLN H . 19232 1
185 . 1 1 60 60 GLN N N 15 130.300 0.300 . 1 . . . A 60 GLN N . 19232 1
186 . 1 1 61 61 SER H H 1 7.560 0.020 . 1 . . . A 61 SER H . 19232 1
187 . 1 1 61 61 SER N N 15 111.000 0.300 . 1 . . . A 61 SER N . 19232 1
188 . 1 1 62 62 VAL H H 1 8.310 0.020 . 1 . . . A 62 VAL H . 19232 1
189 . 1 1 62 62 VAL HB H 1 1.730 0.020 . 1 . . . A 62 VAL HB . 19232 1
190 . 1 1 62 62 VAL HG11 H 1 0.635 0.020 . 2 . . . A 62 VAL HG11 . 19232 1
191 . 1 1 62 62 VAL HG12 H 1 0.635 0.020 . 2 . . . A 62 VAL HG12 . 19232 1
192 . 1 1 62 62 VAL HG13 H 1 0.635 0.020 . 2 . . . A 62 VAL HG13 . 19232 1
193 . 1 1 62 62 VAL HG21 H 1 0.670 0.020 . 2 . . . A 62 VAL HG21 . 19232 1
194 . 1 1 62 62 VAL HG22 H 1 0.670 0.020 . 2 . . . A 62 VAL HG22 . 19232 1
195 . 1 1 62 62 VAL HG23 H 1 0.670 0.020 . 2 . . . A 62 VAL HG23 . 19232 1
196 . 1 1 62 62 VAL CG1 C 13 18.500 0.300 . 1 . . . A 62 VAL CG1 . 19232 1
197 . 1 1 62 62 VAL CG2 C 13 18.270 0.300 . 1 . . . A 62 VAL CG2 . 19232 1
198 . 1 1 62 62 VAL N N 15 121.900 0.300 . 1 . . . A 62 VAL N . 19232 1
199 . 1 1 63 63 ILE H H 1 8.735 0.020 . 1 . . . A 63 ILE H . 19232 1
200 . 1 1 63 63 ILE HG12 H 1 0.985 0.020 . 1 . . . A 63 ILE HG12 . 19232 1
201 . 1 1 63 63 ILE HG13 H 1 0.985 0.020 . 1 . . . A 63 ILE HG13 . 19232 1
202 . 1 1 63 63 ILE HD11 H 1 0.705 0.020 . 1 . . . A 63 ILE HD11 . 19232 1
203 . 1 1 63 63 ILE HD12 H 1 0.705 0.020 . 1 . . . A 63 ILE HD12 . 19232 1
204 . 1 1 63 63 ILE HD13 H 1 0.705 0.020 . 1 . . . A 63 ILE HD13 . 19232 1
205 . 1 1 63 63 ILE CG1 C 13 22.990 0.300 . 1 . . . A 63 ILE CG1 . 19232 1
206 . 1 1 63 63 ILE CD1 C 13 9.470 0.300 . 1 . . . A 63 ILE CD1 . 19232 1
207 . 1 1 63 63 ILE N N 15 127.700 0.300 . 1 . . . A 63 ILE N . 19232 1
208 . 1 1 64 64 LEU H H 1 9.160 0.020 . 1 . . . A 64 LEU H . 19232 1
209 . 1 1 64 64 LEU HG H 1 1.210 0.020 . 1 . . . A 64 LEU HG . 19232 1
210 . 1 1 64 64 LEU HD11 H 1 0.620 0.020 . 2 . . . A 64 LEU HD11 . 19232 1
211 . 1 1 64 64 LEU HD12 H 1 0.620 0.020 . 2 . . . A 64 LEU HD12 . 19232 1
212 . 1 1 64 64 LEU HD13 H 1 0.620 0.020 . 2 . . . A 64 LEU HD13 . 19232 1
213 . 1 1 64 64 LEU HD21 H 1 0.545 0.020 . 2 . . . A 64 LEU HD21 . 19232 1
214 . 1 1 64 64 LEU HD22 H 1 0.545 0.020 . 2 . . . A 64 LEU HD22 . 19232 1
215 . 1 1 64 64 LEU HD23 H 1 0.545 0.020 . 2 . . . A 64 LEU HD23 . 19232 1
216 . 1 1 64 64 LEU CG C 13 24.070 0.300 . 1 . . . A 64 LEU CG . 19232 1
217 . 1 1 64 64 LEU CD1 C 13 22.120 0.300 . 1 . . . A 64 LEU CD1 . 19232 1
218 . 1 1 64 64 LEU CD2 C 13 20.560 0.300 . 1 . . . A 64 LEU CD2 . 19232 1
219 . 1 1 64 64 LEU N N 15 130.400 0.300 . 1 . . . A 64 LEU N . 19232 1
220 . 1 1 69 69 LYS H H 1 7.665 0.020 . 1 . . . A 69 LYS H . 19232 1
221 . 1 1 69 69 LYS N N 15 116.400 0.300 . 1 . . . A 69 LYS N . 19232 1
222 . 1 1 70 70 HIS H H 1 7.510 0.020 . 1 . . . A 70 HIS H . 19232 1
223 . 1 1 70 70 HIS N N 15 113.800 0.300 . 1 . . . A 70 HIS N . 19232 1
224 . 1 1 71 71 ALA H H 1 8.745 0.020 . 1 . . . A 71 ALA H . 19232 1
225 . 1 1 71 71 ALA N N 15 120.500 0.300 . 1 . . . A 71 ALA N . 19232 1
226 . 1 1 72 72 PHE H H 1 8.685 0.020 . 1 . . . A 72 PHE H . 19232 1
227 . 1 1 72 72 PHE N N 15 118.100 0.300 . 1 . . . A 72 PHE N . 19232 1
228 . 1 1 73 73 VAL H H 1 9.425 0.020 . 1 . . . A 73 VAL H . 19232 1
229 . 1 1 73 73 VAL HB H 1 1.650 0.020 . 1 . . . A 73 VAL HB . 19232 1
230 . 1 1 73 73 VAL HG11 H 1 0.560 0.020 . 2 . . . A 73 VAL HG11 . 19232 1
231 . 1 1 73 73 VAL HG12 H 1 0.560 0.020 . 2 . . . A 73 VAL HG12 . 19232 1
232 . 1 1 73 73 VAL HG13 H 1 0.560 0.020 . 2 . . . A 73 VAL HG13 . 19232 1
233 . 1 1 73 73 VAL HG21 H 1 0.550 0.020 . 2 . . . A 73 VAL HG21 . 19232 1
234 . 1 1 73 73 VAL HG22 H 1 0.550 0.020 . 2 . . . A 73 VAL HG22 . 19232 1
235 . 1 1 73 73 VAL HG23 H 1 0.550 0.020 . 2 . . . A 73 VAL HG23 . 19232 1
236 . 1 1 73 73 VAL CG1 C 13 18.400 0.300 . 1 . . . A 73 VAL CG1 . 19232 1
237 . 1 1 73 73 VAL CG2 C 13 18.200 0.300 . 1 . . . A 73 VAL CG2 . 19232 1
238 . 1 1 73 73 VAL N N 15 125.900 0.300 . 1 . . . A 73 VAL N . 19232 1
239 . 1 1 74 74 LYS H H 1 8.725 0.020 . 1 . . . A 74 LYS H . 19232 1
240 . 1 1 74 74 LYS N N 15 129.700 0.300 . 1 . . . A 74 LYS N . 19232 1
241 . 1 1 75 75 VAL H H 1 8.385 0.020 . 1 . . . A 75 VAL H . 19232 1
242 . 1 1 75 75 VAL HB H 1 2.170 0.020 . 1 . . . A 75 VAL HB . 19232 1
243 . 1 1 75 75 VAL HG11 H 1 0.495 0.020 . 2 . . . A 75 VAL HG11 . 19232 1
244 . 1 1 75 75 VAL HG12 H 1 0.495 0.020 . 2 . . . A 75 VAL HG12 . 19232 1
245 . 1 1 75 75 VAL HG13 H 1 0.495 0.020 . 2 . . . A 75 VAL HG13 . 19232 1
246 . 1 1 75 75 VAL HG21 H 1 0.825 0.020 . 2 . . . A 75 VAL HG21 . 19232 1
247 . 1 1 75 75 VAL HG22 H 1 0.825 0.020 . 2 . . . A 75 VAL HG22 . 19232 1
248 . 1 1 75 75 VAL HG23 H 1 0.825 0.020 . 2 . . . A 75 VAL HG23 . 19232 1
249 . 1 1 75 75 VAL CG1 C 13 18.640 0.300 . 1 . . . A 75 VAL CG1 . 19232 1
250 . 1 1 75 75 VAL CG2 C 13 15.850 0.300 . 1 . . . A 75 VAL CG2 . 19232 1
251 . 1 1 75 75 VAL N N 15 118.800 0.300 . 1 . . . A 75 VAL N . 19232 1
252 . 1 1 76 76 TYR H H 1 6.995 0.020 . 1 . . . A 76 TYR H . 19232 1
253 . 1 1 76 76 TYR N N 15 114.800 0.300 . 1 . . . A 76 TYR N . 19232 1
254 . 1 1 77 77 SER H H 1 7.150 0.020 . 1 . . . A 77 SER H . 19232 1
255 . 1 1 77 77 SER N N 15 107.200 0.300 . 1 . . . A 77 SER N . 19232 1
256 . 1 1 78 78 ARG H H 1 9.225 0.020 . 1 . . . A 78 ARG H . 19232 1
257 . 1 1 78 78 ARG N N 15 124.900 0.300 . 1 . . . A 78 ARG N . 19232 1
258 . 1 1 79 79 HIS H H 1 9.105 0.020 . 1 . . . A 79 HIS H . 19232 1
259 . 1 1 79 79 HIS N N 15 119.900 0.300 . 1 . . . A 79 HIS N . 19232 1
260 . 1 1 80 80 GLU H H 1 7.690 0.020 . 1 . . . A 80 GLU H . 19232 1
261 . 1 1 80 80 GLU N N 15 118.200 0.300 . 1 . . . A 80 GLU N . 19232 1
262 . 1 1 81 81 ALA H H 1 7.695 0.020 . 1 . . . A 81 ALA H . 19232 1
263 . 1 1 81 81 ALA N N 15 123.500 0.300 . 1 . . . A 81 ALA N . 19232 1
264 . 1 1 82 82 GLU H H 1 8.450 0.020 . 1 . . . A 82 GLU H . 19232 1
265 . 1 1 82 82 GLU N N 15 116.400 0.300 . 1 . . . A 82 GLU N . 19232 1
266 . 1 1 83 83 ASN H H 1 7.835 0.020 . 1 . . . A 83 ASN H . 19232 1
267 . 1 1 83 83 ASN N N 15 118.500 0.300 . 1 . . . A 83 ASN N . 19232 1
268 . 1 1 84 84 VAL H H 1 7.785 0.020 . 1 . . . A 84 VAL H . 19232 1
269 . 1 1 84 84 VAL HB H 1 2.025 0.020 . 1 . . . A 84 VAL HB . 19232 1
270 . 1 1 84 84 VAL HG11 H 1 0.370 0.020 . 2 . . . A 84 VAL HG11 . 19232 1
271 . 1 1 84 84 VAL HG12 H 1 0.370 0.020 . 2 . . . A 84 VAL HG12 . 19232 1
272 . 1 1 84 84 VAL HG13 H 1 0.370 0.020 . 2 . . . A 84 VAL HG13 . 19232 1
273 . 1 1 84 84 VAL HG21 H 1 0.760 0.020 . 2 . . . A 84 VAL HG21 . 19232 1
274 . 1 1 84 84 VAL HG22 H 1 0.760 0.020 . 2 . . . A 84 VAL HG22 . 19232 1
275 . 1 1 84 84 VAL HG23 H 1 0.760 0.020 . 2 . . . A 84 VAL HG23 . 19232 1
276 . 1 1 84 84 VAL CG1 C 13 18.810 0.300 . 1 . . . A 84 VAL CG1 . 19232 1
277 . 1 1 84 84 VAL CG2 C 13 20.540 0.300 . 1 . . . A 84 VAL CG2 . 19232 1
278 . 1 1 84 84 VAL N N 15 118.300 0.300 . 1 . . . A 84 VAL N . 19232 1
279 . 1 1 85 85 LEU H H 1 7.590 0.020 . 1 . . . A 85 LEU H . 19232 1
280 . 1 1 85 85 LEU HG H 1 0.905 0.020 . 1 . . . A 85 LEU HG . 19232 1
281 . 1 1 85 85 LEU HD11 H 1 0.095 0.020 . 2 . . . A 85 LEU HD11 . 19232 1
282 . 1 1 85 85 LEU HD12 H 1 0.095 0.020 . 2 . . . A 85 LEU HD12 . 19232 1
283 . 1 1 85 85 LEU HD13 H 1 0.095 0.020 . 2 . . . A 85 LEU HD13 . 19232 1
284 . 1 1 85 85 LEU HD21 H 1 -0.395 0.300 . 2 . . . A 85 LEU HD21 . 19232 1
285 . 1 1 85 85 LEU HD22 H 1 -0.395 0.300 . 2 . . . A 85 LEU HD22 . 19232 1
286 . 1 1 85 85 LEU HD23 H 1 -0.395 0.300 . 2 . . . A 85 LEU HD23 . 19232 1
287 . 1 1 85 85 LEU CG C 13 22.900 0.300 . 1 . . . A 85 LEU CG . 19232 1
288 . 1 1 85 85 LEU CD1 C 13 20.110 0.300 . 1 . . . A 85 LEU CD1 . 19232 1
289 . 1 1 85 85 LEU CD2 C 13 20.380 0.300 . 1 . . . A 85 LEU CD2 . 19232 1
290 . 1 1 85 85 LEU N N 15 119.400 0.300 . 1 . . . A 85 LEU N . 19232 1
291 . 1 1 86 86 GLN H H 1 7.985 0.020 . 1 . . . A 86 GLN H . 19232 1
292 . 1 1 86 86 GLN N N 15 113.600 0.300 . 1 . . . A 86 GLN N . 19232 1
293 . 1 1 87 87 ASN H H 1 7.545 0.020 . 1 . . . A 87 ASN H . 19232 1
294 . 1 1 87 87 ASN N N 15 112.000 0.300 . 1 . . . A 87 ASN N . 19232 1
295 . 1 1 88 88 PHE H H 1 8.265 0.020 . 1 . . . A 88 PHE H . 19232 1
296 . 1 1 88 88 PHE N N 15 121.900 0.300 . 1 . . . A 88 PHE N . 19232 1
297 . 1 1 89 89 ASN H H 1 8.515 0.020 . 1 . . . A 89 ASN H . 19232 1
298 . 1 1 89 89 ASN N N 15 126.900 0.300 . 1 . . . A 89 ASN N . 19232 1
299 . 1 1 90 90 LYS H H 1 7.655 0.020 . 1 . . . A 90 LYS H . 19232 1
300 . 1 1 90 90 LYS N N 15 119.900 0.300 . 1 . . . A 90 LYS N . 19232 1
301 . 1 1 91 91 ASP H H 1 8.050 0.020 . 1 . . . A 91 ASP H . 19232 1
302 . 1 1 91 91 ASP N N 15 115.600 0.300 . 1 . . . A 91 ASP N . 19232 1
303 . 1 1 92 92 GLY H H 1 7.425 0.020 . 1 . . . A 92 GLY H . 19232 1
304 . 1 1 92 92 GLY N N 15 108.400 0.300 . 1 . . . A 92 GLY N . 19232 1
305 . 1 1 93 93 ALA H H 1 7.545 0.020 . 1 . . . A 93 ALA H . 19232 1
306 . 1 1 93 93 ALA N N 15 122.000 0.300 . 1 . . . A 93 ALA N . 19232 1
307 . 1 1 94 94 LEU H H 1 8.455 0.020 . 1 . . . A 94 LEU H . 19232 1
308 . 1 1 94 94 LEU HG H 1 1.475 0.020 . 1 . . . A 94 LEU HG . 19232 1
309 . 1 1 94 94 LEU HD11 H 1 0.790 0.020 . 1 . . . A 94 LEU HD11 . 19232 1
310 . 1 1 94 94 LEU HD12 H 1 0.790 0.020 . 1 . . . A 94 LEU HD12 . 19232 1
311 . 1 1 94 94 LEU HD13 H 1 0.790 0.020 . 1 . . . A 94 LEU HD13 . 19232 1
312 . 1 1 94 94 LEU CG C 13 23.370 0.300 . 1 . . . A 94 LEU CG . 19232 1
313 . 1 1 94 94 LEU N N 15 115.600 0.300 . 1 . . . A 94 LEU N . 19232 1
314 . 1 1 96 96 LEU H H 1 5.775 0.020 . 1 . . . A 96 LEU H . 19232 1
315 . 1 1 96 96 LEU HG H 1 1.350 0.020 . 1 . . . A 96 LEU HG . 19232 1
316 . 1 1 96 96 LEU HD11 H 1 0.775 0.020 . 2 . . . A 96 LEU HD11 . 19232 1
317 . 1 1 96 96 LEU HD12 H 1 0.775 0.020 . 2 . . . A 96 LEU HD12 . 19232 1
318 . 1 1 96 96 LEU HD13 H 1 0.775 0.020 . 2 . . . A 96 LEU HD13 . 19232 1
319 . 1 1 96 96 LEU HD21 H 1 0.635 0.020 . 2 . . . A 96 LEU HD21 . 19232 1
320 . 1 1 96 96 LEU HD22 H 1 0.635 0.020 . 2 . . . A 96 LEU HD22 . 19232 1
321 . 1 1 96 96 LEU HD23 H 1 0.635 0.020 . 2 . . . A 96 LEU HD23 . 19232 1
322 . 1 1 96 96 LEU CG C 13 24.240 0.300 . 1 . . . A 96 LEU CG . 19232 1
323 . 1 1 96 96 LEU CD1 C 13 22.340 0.300 . 1 . . . A 96 LEU CD1 . 19232 1
324 . 1 1 96 96 LEU CD2 C 13 20.280 0.300 . 1 . . . A 96 LEU CD2 . 19232 1
325 . 1 1 96 96 LEU N N 15 115.700 0.300 . 1 . . . A 96 LEU N . 19232 1
326 . 1 1 97 97 ARG H H 1 8.290 0.020 . 1 . . . A 97 ARG H . 19232 1
327 . 1 1 97 97 ARG N N 15 123.300 0.300 . 1 . . . A 97 ARG N . 19232 1
328 . 1 1 98 98 THR H H 1 8.280 0.020 . 1 . . . A 98 THR H . 19232 1
329 . 1 1 98 98 THR N N 15 120.000 0.300 . 1 . . . A 98 THR N . 19232 1
330 . 1 1 99 99 ARG H H 1 9.005 0.020 . 1 . . . A 99 ARG H . 19232 1
331 . 1 1 99 99 ARG N N 15 122.300 0.300 . 1 . . . A 99 ARG N . 19232 1
332 . 1 1 100 100 TRP H H 1 8.325 0.020 . 1 . . . A 100 TRP H . 19232 1
333 . 1 1 100 100 TRP HE1 H 1 9.990 0.020 . 1 . . . A 100 TRP HE1 . 19232 1
334 . 1 1 100 100 TRP N N 15 120.100 0.300 . 1 . . . A 100 TRP N . 19232 1
335 . 1 1 100 100 TRP NE1 N 15 129.400 0.300 . 1 . . . A 100 TRP NE1 . 19232 1
336 . 1 1 101 101 GLY H H 1 8.940 0.020 . 1 . . . A 101 GLY H . 19232 1
337 . 1 1 101 101 GLY N N 15 107.300 0.300 . 1 . . . A 101 GLY N . 19232 1
338 . 1 1 102 102 VAL H H 1 8.130 0.020 . 1 . . . A 102 VAL H . 19232 1
339 . 1 1 102 102 VAL HB H 1 1.955 0.020 . 1 . . . A 102 VAL HB . 19232 1
340 . 1 1 102 102 VAL HG11 H 1 0.855 0.020 . 2 . . . A 102 VAL HG11 . 19232 1
341 . 1 1 102 102 VAL HG12 H 1 0.855 0.020 . 2 . . . A 102 VAL HG12 . 19232 1
342 . 1 1 102 102 VAL HG13 H 1 0.855 0.020 . 2 . . . A 102 VAL HG13 . 19232 1
343 . 1 1 102 102 VAL HG21 H 1 0.540 0.020 . 2 . . . A 102 VAL HG21 . 19232 1
344 . 1 1 102 102 VAL HG22 H 1 0.540 0.020 . 2 . . . A 102 VAL HG22 . 19232 1
345 . 1 1 102 102 VAL HG23 H 1 0.540 0.020 . 2 . . . A 102 VAL HG23 . 19232 1
346 . 1 1 102 102 VAL CG1 C 13 19.350 0.300 . 1 . . . A 102 VAL CG1 . 19232 1
347 . 1 1 102 102 VAL CG2 C 13 18.300 0.300 . 1 . . . A 102 VAL CG2 . 19232 1
348 . 1 1 102 102 VAL N N 15 119.800 0.300 . 1 . . . A 102 VAL N . 19232 1
349 . 1 1 103 103 GLY H H 1 9.440 0.020 . 1 . . . A 103 GLY H . 19232 1
350 . 1 1 103 103 GLY N N 15 117.200 0.300 . 1 . . . A 103 GLY N . 19232 1
351 . 1 1 104 104 PHE H H 1 7.280 0.020 . 1 . . . A 104 PHE H . 19232 1
352 . 1 1 104 104 PHE N N 15 120.600 0.300 . 1 . . . A 104 PHE N . 19232 1
353 . 1 1 105 105 GLY H H 1 8.565 0.020 . 1 . . . A 105 GLY H . 19232 1
354 . 1 1 105 105 GLY N N 15 117.100 0.300 . 1 . . . A 105 GLY N . 19232 1
355 . 1 1 109 109 CYS H H 1 6.915 0.020 . 1 . . . A 109 CYS H . 19232 1
356 . 1 1 109 109 CYS N N 15 115.300 0.300 . 1 . . . A 109 CYS N . 19232 1
357 . 1 1 110 110 CYS H H 1 7.130 0.020 . 1 . . . A 110 CYS H . 19232 1
358 . 1 1 110 110 CYS N N 15 119.000 0.300 . 1 . . . A 110 CYS N . 19232 1
359 . 1 1 111 111 ASP H H 1 8.245 0.020 . 1 . . . A 111 ASP H . 19232 1
360 . 1 1 111 111 ASP N N 15 128.800 0.300 . 1 . . . A 111 ASP N . 19232 1
361 . 1 1 112 112 TYR H H 1 8.425 0.020 . 1 . . . A 112 TYR H . 19232 1
362 . 1 1 112 112 TYR N N 15 124.400 0.300 . 1 . . . A 112 TYR N . 19232 1
363 . 1 1 113 113 GLN H H 1 8.065 0.020 . 1 . . . A 113 GLN H . 19232 1
364 . 1 1 113 113 GLN N N 15 117.900 0.300 . 1 . . . A 113 GLN N . 19232 1
365 . 1 1 114 114 HIS H H 1 6.925 0.020 . 1 . . . A 114 HIS H . 19232 1
366 . 1 1 114 114 HIS N N 15 114.200 0.300 . 1 . . . A 114 HIS N . 19232 1
367 . 1 1 115 115 GLY H H 1 8.430 0.020 . 1 . . . A 115 GLY H . 19232 1
368 . 1 1 115 115 GLY N N 15 109.200 0.300 . 1 . . . A 115 GLY N . 19232 1
369 . 1 1 116 116 TYR H H 1 6.695 0.020 . 1 . . . A 116 TYR H . 19232 1
370 . 1 1 116 116 TYR N N 15 115.800 0.300 . 1 . . . A 116 TYR N . 19232 1
371 . 1 1 117 117 SER H H 1 8.745 0.020 . 1 . . . A 117 SER H . 19232 1
372 . 1 1 117 117 SER N N 15 116.200 0.300 . 1 . . . A 117 SER N . 19232 1
373 . 1 1 118 118 ILE H H 1 7.560 0.020 . 1 . . . A 118 ILE H . 19232 1
374 . 1 1 118 118 ILE N N 15 126.500 0.300 . 1 . . . A 118 ILE N . 19232 1
375 . 1 1 121 121 MET H H 1 8.885 0.020 . 1 . . . A 121 MET H . 19232 1
376 . 1 1 121 121 MET N N 15 124.000 0.300 . 1 . . . A 121 MET N . 19232 1
377 . 1 1 122 122 HIS H H 1 7.855 0.020 . 1 . . . A 122 HIS H . 19232 1
378 . 1 1 122 122 HIS N N 15 113.700 0.300 . 1 . . . A 122 HIS N . 19232 1
379 . 1 1 123 123 ARG H H 1 7.320 0.020 . 1 . . . A 123 ARG H . 19232 1
380 . 1 1 123 123 ARG N N 15 117.500 0.300 . 1 . . . A 123 ARG N . 19232 1
381 . 1 1 124 124 LEU H H 1 7.120 0.020 . 1 . . . A 124 LEU H . 19232 1
382 . 1 1 124 124 LEU HG H 1 1.500 0.020 . 1 . . . A 124 LEU HG . 19232 1
383 . 1 1 124 124 LEU HD11 H 1 0.610 0.020 . 2 . . . A 124 LEU HD11 . 19232 1
384 . 1 1 124 124 LEU HD12 H 1 0.610 0.020 . 2 . . . A 124 LEU HD12 . 19232 1
385 . 1 1 124 124 LEU HD13 H 1 0.610 0.020 . 2 . . . A 124 LEU HD13 . 19232 1
386 . 1 1 124 124 LEU HD21 H 1 0.782 0.020 . 2 . . . A 124 LEU HD21 . 19232 1
387 . 1 1 124 124 LEU HD22 H 1 0.782 0.020 . 2 . . . A 124 LEU HD22 . 19232 1
388 . 1 1 124 124 LEU HD23 H 1 0.782 0.020 . 2 . . . A 124 LEU HD23 . 19232 1
389 . 1 1 124 124 LEU CG C 13 22.870 0.300 . 1 . . . A 124 LEU CG . 19232 1
390 . 1 1 124 124 LEU CD1 C 13 19.610 0.300 . 1 . . . A 124 LEU CD1 . 19232 1
391 . 1 1 124 124 LEU CD2 C 13 23.140 0.300 . 1 . . . A 124 LEU CD2 . 19232 1
392 . 1 1 124 124 LEU N N 15 119.300 0.300 . 1 . . . A 124 LEU N . 19232 1
393 . 1 1 125 125 THR H H 1 9.485 0.020 . 1 . . . A 125 THR H . 19232 1
394 . 1 1 125 125 THR N N 15 116.000 0.300 . 1 . . . A 125 THR N . 19232 1
395 . 1 1 126 126 ASP H H 1 8.750 0.020 . 1 . . . A 126 ASP H . 19232 1
396 . 1 1 126 126 ASP N N 15 121.700 0.300 . 1 . . . A 126 ASP N . 19232 1
397 . 1 1 127 127 ALA H H 1 8.105 0.020 . 1 . . . A 127 ALA H . 19232 1
398 . 1 1 127 127 ALA N N 15 123.300 0.300 . 1 . . . A 127 ALA N . 19232 1
399 . 1 1 128 128 ASP H H 1 7.675 0.020 . 1 . . . A 128 ASP H . 19232 1
400 . 1 1 128 128 ASP N N 15 118.700 0.300 . 1 . . . A 128 ASP N . 19232 1
401 . 1 1 129 129 LYS H H 1 7.985 0.020 . 1 . . . A 129 LYS H . 19232 1
402 . 1 1 129 129 LYS N N 15 120.100 0.300 . 1 . . . A 129 LYS N . 19232 1
403 . 1 1 130 130 LYS H H 1 7.705 0.020 . 1 . . . A 130 LYS H . 19232 1
404 . 1 1 130 130 LYS N N 15 121.500 0.300 . 1 . . . A 130 LYS N . 19232 1
405 . 1 1 131 131 TRP H H 1 8.905 0.020 . 1 . . . A 131 TRP H . 19232 1
406 . 1 1 131 131 TRP HE1 H 1 10.090 0.300 . 1 . . . A 131 TRP HE1 . 19232 1
407 . 1 1 131 131 TRP N N 15 122.200 0.300 . 1 . . . A 131 TRP N . 19232 1
408 . 1 1 131 131 TRP NE1 N 15 128.200 0.300 . 1 . . . A 131 TRP NE1 . 19232 1
409 . 1 1 132 132 SER H H 1 7.880 0.020 . 1 . . . A 132 SER H . 19232 1
410 . 1 1 132 132 SER N N 15 111.800 0.300 . 1 . . . A 132 SER N . 19232 1
411 . 1 1 133 133 VAL H H 1 6.685 0.020 . 1 . . . A 133 VAL H . 19232 1
412 . 1 1 133 133 VAL HB H 1 1.755 0.020 . 1 . . . A 133 VAL HB . 19232 1
413 . 1 1 133 133 VAL HG11 H 1 0.805 0.020 . 2 . . . A 133 VAL HG11 . 19232 1
414 . 1 1 133 133 VAL HG12 H 1 0.805 0.020 . 2 . . . A 133 VAL HG12 . 19232 1
415 . 1 1 133 133 VAL HG13 H 1 0.805 0.020 . 2 . . . A 133 VAL HG13 . 19232 1
416 . 1 1 133 133 VAL HG21 H 1 0.615 0.020 . 2 . . . A 133 VAL HG21 . 19232 1
417 . 1 1 133 133 VAL HG22 H 1 0.615 0.020 . 2 . . . A 133 VAL HG22 . 19232 1
418 . 1 1 133 133 VAL HG23 H 1 0.615 0.020 . 2 . . . A 133 VAL HG23 . 19232 1
419 . 1 1 133 133 VAL CG1 C 13 16.520 0.300 . 1 . . . A 133 VAL CG1 . 19232 1
420 . 1 1 133 133 VAL CG2 C 13 17.720 0.300 . 1 . . . A 133 VAL CG2 . 19232 1
421 . 1 1 133 133 VAL N N 15 110.900 0.300 . 1 . . . A 133 VAL N . 19232 1
422 . 1 1 134 134 SER H H 1 7.495 0.020 . 1 . . . A 134 SER H . 19232 1
423 . 1 1 134 134 SER N N 15 112.900 0.300 . 1 . . . A 134 SER N . 19232 1
424 . 1 1 135 135 ALA H H 1 7.735 0.020 . 1 . . . A 135 ALA H . 19232 1
425 . 1 1 135 135 ALA N N 15 125.800 0.300 . 1 . . . A 135 ALA N . 19232 1
426 . 1 1 136 136 GLN H H 1 8.825 0.020 . 1 . . . A 136 GLN H . 19232 1
427 . 1 1 136 136 GLN N N 15 118.500 0.300 . 1 . . . A 136 GLN N . 19232 1
428 . 1 1 137 137 TRP H H 1 8.385 0.020 . 1 . . . A 137 TRP H . 19232 1
429 . 1 1 137 137 TRP HE1 H 1 9.845 0.020 . 1 . . . A 137 TRP HE1 . 19232 1
430 . 1 1 137 137 TRP N N 15 120.200 0.300 . 1 . . . A 137 TRP N . 19232 1
431 . 1 1 137 137 TRP NE1 N 15 128.900 0.300 . 1 . . . A 137 TRP NE1 . 19232 1
432 . 1 1 138 138 GLY H H 1 8.400 0.020 . 1 . . . A 138 GLY H . 19232 1
433 . 1 1 138 138 GLY N N 15 107.300 0.300 . 1 . . . A 138 GLY N . 19232 1
434 . 1 1 139 139 GLY H H 1 8.400 0.020 . 1 . . . A 139 GLY H . 19232 1
435 . 1 1 139 139 GLY N N 15 101.600 0.300 . 1 . . . A 139 GLY N . 19232 1
436 . 1 1 140 140 THR H H 1 8.495 0.020 . 1 . . . A 140 THR H . 19232 1
437 . 1 1 140 140 THR N N 15 107.900 0.300 . 1 . . . A 140 THR N . 19232 1
438 . 1 1 141 141 SER H H 1 9.350 0.020 . 1 . . . A 141 SER H . 19232 1
439 . 1 1 141 141 SER N N 15 120.200 0.300 . 1 . . . A 141 SER N . 19232 1
440 . 1 1 142 142 GLY H H 1 7.880 0.020 . 1 . . . A 142 GLY H . 19232 1
441 . 1 1 142 142 GLY N N 15 105.800 0.300 . 1 . . . A 142 GLY N . 19232 1
442 . 1 1 143 143 GLN H H 1 7.350 0.020 . 1 . . . A 143 GLN H . 19232 1
443 . 1 1 143 143 GLN N N 15 123.100 0.300 . 1 . . . A 143 GLN N . 19232 1
444 . 1 1 145 145 LEU H H 1 8.130 0.020 . 1 . . . A 145 LEU H . 19232 1
445 . 1 1 145 145 LEU HG H 1 1.540 0.020 . 1 . . . A 145 LEU HG . 19232 1
446 . 1 1 145 145 LEU HD11 H 1 0.680 0.020 . 2 . . . A 145 LEU HD11 . 19232 1
447 . 1 1 145 145 LEU HD12 H 1 0.680 0.020 . 2 . . . A 145 LEU HD12 . 19232 1
448 . 1 1 145 145 LEU HD13 H 1 0.680 0.020 . 2 . . . A 145 LEU HD13 . 19232 1
449 . 1 1 145 145 LEU HD21 H 1 0.845 0.020 . 2 . . . A 145 LEU HD21 . 19232 1
450 . 1 1 145 145 LEU HD22 H 1 0.845 0.020 . 2 . . . A 145 LEU HD22 . 19232 1
451 . 1 1 145 145 LEU HD23 H 1 0.845 0.020 . 2 . . . A 145 LEU HD23 . 19232 1
452 . 1 1 145 145 LEU CG C 13 23.320 0.300 . 1 . . . A 145 LEU CG . 19232 1
453 . 1 1 145 145 LEU CD1 C 13 21.000 0.300 . 1 . . . A 145 LEU CD1 . 19232 1
454 . 1 1 145 145 LEU CD2 C 13 22.250 0.300 . 1 . . . A 145 LEU CD2 . 19232 1
455 . 1 1 145 145 LEU N N 15 118.500 0.300 . 1 . . . A 145 LEU N . 19232 1
456 . 1 1 146 146 VAL H H 1 6.550 0.020 . 1 . . . A 146 VAL H . 19232 1
457 . 1 1 146 146 VAL HB H 1 2.170 0.020 . 1 . . . A 146 VAL HB . 19232 1
458 . 1 1 146 146 VAL HG11 H 1 0.795 0.020 . 2 . . . A 146 VAL HG11 . 19232 1
459 . 1 1 146 146 VAL HG12 H 1 0.795 0.020 . 2 . . . A 146 VAL HG12 . 19232 1
460 . 1 1 146 146 VAL HG13 H 1 0.795 0.020 . 2 . . . A 146 VAL HG13 . 19232 1
461 . 1 1 146 146 VAL HG21 H 1 0.900 0.020 . 2 . . . A 146 VAL HG21 . 19232 1
462 . 1 1 146 146 VAL HG22 H 1 0.900 0.020 . 2 . . . A 146 VAL HG22 . 19232 1
463 . 1 1 146 146 VAL HG23 H 1 0.900 0.020 . 2 . . . A 146 VAL HG23 . 19232 1
464 . 1 1 146 146 VAL CG1 C 13 17.950 0.300 . 1 . . . A 146 VAL CG1 . 19232 1
465 . 1 1 146 146 VAL CG2 C 13 15.260 0.300 . 1 . . . A 146 VAL CG2 . 19232 1
466 . 1 1 146 146 VAL N N 15 116.600 0.300 . 1 . . . A 146 VAL N . 19232 1
467 . 1 1 147 147 THR H H 1 8.355 0.020 . 1 . . . A 147 THR H . 19232 1
468 . 1 1 147 147 THR N N 15 117.400 0.300 . 1 . . . A 147 THR N . 19232 1
469 . 1 1 148 148 GLY H H 1 8.970 0.020 . 1 . . . A 148 GLY H . 19232 1
470 . 1 1 148 148 GLY N N 15 113.700 0.300 . 1 . . . A 148 GLY N . 19232 1
471 . 1 1 149 149 ILE H H 1 7.865 0.020 . 1 . . . A 149 ILE H . 19232 1
472 . 1 1 149 149 ILE HG12 H 1 1.100 0.020 . 1 . . . A 149 ILE HG12 . 19232 1
473 . 1 1 149 149 ILE HG13 H 1 1.100 0.020 . 1 . . . A 149 ILE HG13 . 19232 1
474 . 1 1 149 149 ILE HD11 H 1 0.770 0.020 . 1 . . . A 149 ILE HD11 . 19232 1
475 . 1 1 149 149 ILE HD12 H 1 0.770 0.020 . 1 . . . A 149 ILE HD12 . 19232 1
476 . 1 1 149 149 ILE HD13 H 1 0.770 0.020 . 1 . . . A 149 ILE HD13 . 19232 1
477 . 1 1 149 149 ILE CG1 C 13 21.770 0.300 . 1 . . . A 149 ILE CG1 . 19232 1
478 . 1 1 149 149 ILE CD1 C 13 11.790 0.300 . 1 . . . A 149 ILE CD1 . 19232 1
479 . 1 1 149 149 ILE N N 15 121.700 0.300 . 1 . . . A 149 ILE N . 19232 1
480 . 1 1 150 150 VAL H H 1 8.120 0.020 . 1 . . . A 150 VAL H . 19232 1
481 . 1 1 150 150 VAL HB H 1 1.790 0.020 . 1 . . . A 150 VAL HB . 19232 1
482 . 1 1 150 150 VAL HG11 H 1 0.715 0.020 . 2 . . . A 150 VAL HG11 . 19232 1
483 . 1 1 150 150 VAL HG12 H 1 0.715 0.020 . 2 . . . A 150 VAL HG12 . 19232 1
484 . 1 1 150 150 VAL HG13 H 1 0.715 0.020 . 2 . . . A 150 VAL HG13 . 19232 1
485 . 1 1 150 150 VAL HG21 H 1 0.505 0.020 . 2 . . . A 150 VAL HG21 . 19232 1
486 . 1 1 150 150 VAL HG22 H 1 0.505 0.020 . 2 . . . A 150 VAL HG22 . 19232 1
487 . 1 1 150 150 VAL HG23 H 1 0.505 0.020 . 2 . . . A 150 VAL HG23 . 19232 1
488 . 1 1 150 150 VAL CG1 C 13 17.770 0.300 . 1 . . . A 150 VAL CG1 . 19232 1
489 . 1 1 150 150 VAL CG2 C 13 18.670 0.300 . 1 . . . A 150 VAL CG2 . 19232 1
490 . 1 1 150 150 VAL N N 15 125.800 0.300 . 1 . . . A 150 VAL N . 19232 1
491 . 1 1 151 151 PHE H H 1 7.965 0.020 . 1 . . . A 151 PHE H . 19232 1
492 . 1 1 151 151 PHE N N 15 118.300 0.300 . 1 . . . A 151 PHE N . 19232 1
493 . 1 1 152 152 GLU H H 1 9.530 0.020 . 1 . . . A 152 GLU H . 19232 1
494 . 1 1 152 152 GLU N N 15 118.100 0.300 . 1 . . . A 152 GLU N . 19232 1
495 . 1 1 156 156 ILE HG12 H 1 0.776 0.020 . 1 . . . A 156 ILE HG12 . 19232 1
496 . 1 1 156 156 ILE HG13 H 1 0.776 0.020 . 1 . . . A 156 ILE HG13 . 19232 1
497 . 1 1 156 156 ILE HD11 H 1 0.723 0.020 . 1 . . . A 156 ILE HD11 . 19232 1
498 . 1 1 156 156 ILE HD12 H 1 0.723 0.020 . 1 . . . A 156 ILE HD12 . 19232 1
499 . 1 1 156 156 ILE HD13 H 1 0.723 0.020 . 1 . . . A 156 ILE HD13 . 19232 1
500 . 1 1 156 156 ILE CG1 C 13 22.346 0.300 . 1 . . . A 156 ILE CG1 . 19232 1
501 . 1 1 156 156 ILE CD1 C 13 10.456 0.300 . 1 . . . A 156 ILE CD1 . 19232 1
502 . 1 1 157 157 ILE HG12 H 1 0.795 0.020 . 1 . . . A 157 ILE HG12 . 19232 1
503 . 1 1 157 157 ILE HG13 H 1 0.795 0.020 . 1 . . . A 157 ILE HG13 . 19232 1
504 . 1 1 157 157 ILE HD11 H 1 0.685 0.020 . 1 . . . A 157 ILE HD11 . 19232 1
505 . 1 1 157 157 ILE HD12 H 1 0.685 0.020 . 1 . . . A 157 ILE HD12 . 19232 1
506 . 1 1 157 157 ILE HD13 H 1 0.685 0.020 . 1 . . . A 157 ILE HD13 . 19232 1
507 . 1 1 157 157 ILE CG1 C 13 22.880 0.300 . 1 . . . A 157 ILE CG1 . 19232 1
508 . 1 1 157 157 ILE CD1 C 13 8.830 0.300 . 1 . . . A 157 ILE CD1 . 19232 1
509 . 1 1 158 158 VAL H H 1 8.200 0.020 . 1 . . . A 158 VAL H . 19232 1
510 . 1 1 158 158 VAL HB H 1 1.915 0.020 . 1 . . . A 158 VAL HB . 19232 1
511 . 1 1 158 158 VAL HG11 H 1 0.820 0.020 . 2 . . . A 158 VAL HG11 . 19232 1
512 . 1 1 158 158 VAL HG12 H 1 0.820 0.020 . 2 . . . A 158 VAL HG12 . 19232 1
513 . 1 1 158 158 VAL HG13 H 1 0.820 0.020 . 2 . . . A 158 VAL HG13 . 19232 1
514 . 1 1 158 158 VAL HG21 H 1 0.805 0.020 . 2 . . . A 158 VAL HG21 . 19232 1
515 . 1 1 158 158 VAL HG22 H 1 0.805 0.020 . 2 . . . A 158 VAL HG22 . 19232 1
516 . 1 1 158 158 VAL HG23 H 1 0.805 0.020 . 2 . . . A 158 VAL HG23 . 19232 1
517 . 1 1 158 158 VAL CG1 C 13 17.620 0.300 . 1 . . . A 158 VAL CG1 . 19232 1
518 . 1 1 158 158 VAL CG2 C 13 17.020 0.300 . 1 . . . A 158 VAL CG2 . 19232 1
519 . 1 1 158 158 VAL N N 15 126.000 0.300 . 1 . . . A 158 VAL N . 19232 1
520 . 1 1 159 159 GLY H H 1 8.440 0.020 . 1 . . . A 159 GLY H . 19232 1
521 . 1 1 159 159 GLY N N 15 113.000 0.300 . 1 . . . A 159 GLY N . 19232 1
522 . 1 1 160 160 GLU H H 1 8.270 0.020 . 1 . . . A 160 GLU H . 19232 1
523 . 1 1 160 160 GLU N N 15 120.700 0.300 . 1 . . . A 160 GLU N . 19232 1
524 . 1 1 162 162 VAL H H 1 7.960 0.020 . 1 . . . A 162 VAL H . 19232 1
525 . 1 1 162 162 VAL N N 15 120.000 0.300 . 1 . . . A 162 VAL N . 19232 1
stop_
save_