###################################
# 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_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5096
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_1 . 5096 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 2 2 SER HA H 1 4.530 0.000 . 1 . . . . . . . . 5096 1
2 . 1 1 2 2 SER HB2 H 1 3.928 0.000 . 2 . . . . . . . . 5096 1
3 . 1 1 3 3 ALA H H 1 8.621 0.002 . 1 . . . . . . . . 5096 1
4 . 1 1 3 3 ALA HA H 1 4.324 0.002 . 1 . . . . . . . . 5096 1
5 . 1 1 3 3 ALA HB1 H 1 1.429 0.003 . 1 . . . . . . . . 5096 1
6 . 1 1 3 3 ALA HB2 H 1 1.429 0.003 . 1 . . . . . . . . 5096 1
7 . 1 1 3 3 ALA HB3 H 1 1.429 0.003 . 1 . . . . . . . . 5096 1
8 . 1 1 4 4 ALA H H 1 8.285 0.004 . 1 . . . . . . . . 5096 1
9 . 1 1 4 4 ALA HA H 1 4.253 0.003 . 1 . . . . . . . . 5096 1
10 . 1 1 4 4 ALA HB1 H 1 1.402 0.001 . 1 . . . . . . . . 5096 1
11 . 1 1 4 4 ALA HB2 H 1 1.402 0.001 . 1 . . . . . . . . 5096 1
12 . 1 1 4 4 ALA HB3 H 1 1.402 0.001 . 1 . . . . . . . . 5096 1
13 . 1 1 5 5 GLU H H 1 8.247 0.001 . 1 . . . . . . . . 5096 1
14 . 1 1 5 5 GLU HA H 1 4.255 0.000 . 1 . . . . . . . . 5096 1
15 . 1 1 5 5 GLU HB2 H 1 2.086 0.004 . 2 . . . . . . . . 5096 1
16 . 1 1 5 5 GLU HB3 H 1 2.030 0.004 . 2 . . . . . . . . 5096 1
17 . 1 1 5 5 GLU HG2 H 1 2.329 0.007 . 2 . . . . . . . . 5096 1
18 . 1 1 6 6 VAL H H 1 8.069 0.003 . 1 . . . . . . . . 5096 1
19 . 1 1 6 6 VAL HA H 1 4.044 0.000 . 1 . . . . . . . . 5096 1
20 . 1 1 6 6 VAL HB H 1 2.128 0.001 . 1 . . . . . . . . 5096 1
21 . 1 1 6 6 VAL HG11 H 1 0.987 0.006 . 2 . . . . . . . . 5096 1
22 . 1 1 6 6 VAL HG12 H 1 0.987 0.006 . 2 . . . . . . . . 5096 1
23 . 1 1 6 6 VAL HG13 H 1 0.987 0.006 . 2 . . . . . . . . 5096 1
24 . 1 1 6 6 VAL HG21 H 1 0.947 0.001 . 2 . . . . . . . . 5096 1
25 . 1 1 6 6 VAL HG22 H 1 0.947 0.001 . 2 . . . . . . . . 5096 1
26 . 1 1 6 6 VAL HG23 H 1 0.947 0.001 . 2 . . . . . . . . 5096 1
27 . 1 1 7 7 MET H H 1 8.238 0.000 . 1 . . . . . . . . 5096 1
28 . 1 1 7 7 MET HA H 1 4.464 0.004 . 1 . . . . . . . . 5096 1
29 . 1 1 7 7 MET HB2 H 1 2.063 0.004 . 2 . . . . . . . . 5096 1
30 . 1 1 7 7 MET HG2 H 1 2.641 0.002 . 2 . . . . . . . . 5096 1
31 . 1 1 7 7 MET HG3 H 1 2.531 0.008 . 2 . . . . . . . . 5096 1
32 . 1 1 8 8 LYS H H 1 7.998 0.000 . 1 . . . . . . . . 5096 1
33 . 1 1 8 8 LYS HA H 1 4.221 0.001 . 1 . . . . . . . . 5096 1
34 . 1 1 8 8 LYS HB2 H 1 1.823 0.001 . 2 . . . . . . . . 5096 1
35 . 1 1 8 8 LYS HB3 H 1 1.766 0.001 . 2 . . . . . . . . 5096 1
36 . 1 1 8 8 LYS HG2 H 1 1.470 0.003 . 2 . . . . . . . . 5096 1
37 . 1 1 8 8 LYS HG3 H 1 1.369 0.001 . 2 . . . . . . . . 5096 1
38 . 1 1 8 8 LYS HD2 H 1 1.695 0.001 . 2 . . . . . . . . 5096 1
39 . 1 1 9 9 LYS H H 1 8.256 0.002 . 1 . . . . . . . . 5096 1
40 . 1 1 9 9 LYS HA H 1 4.060 0.006 . 1 . . . . . . . . 5096 1
41 . 1 1 9 9 LYS HB2 H 1 1.685 0.001 . 2 . . . . . . . . 5096 1
42 . 1 1 9 9 LYS HB3 H 1 1.568 0.004 . 2 . . . . . . . . 5096 1
43 . 1 1 9 9 LYS HG2 H 1 1.151 0.005 . 2 . . . . . . . . 5096 1
44 . 1 1 9 9 LYS HD2 H 1 1.287 0.000 . 2 . . . . . . . . 5096 1
45 . 1 1 9 9 LYS HE2 H 1 2.921 0.000 . 2 . . . . . . . . 5096 1
46 . 1 1 10 10 TYR H H 1 7.221 0.001 . 1 . . . . . . . . 5096 1
47 . 1 1 10 10 TYR HA H 1 5.211 0.004 . 1 . . . . . . . . 5096 1
48 . 1 1 10 10 TYR HB2 H 1 2.961 0.003 . 2 . . . . . . . . 5096 1
49 . 1 1 10 10 TYR HB3 H 1 2.587 0.003 . 2 . . . . . . . . 5096 1
50 . 1 1 10 10 TYR HE1 H 1 6.594 0.001 . 3 . . . . . . . . 5096 1
51 . 1 1 10 10 TYR HD1 H 1 6.905 0.003 . 3 . . . . . . . . 5096 1
52 . 1 1 11 11 CYS H H 1 8.790 0.002 . 1 . . . . . . . . 5096 1
53 . 1 1 11 11 CYS HA H 1 4.817 0.000 . 1 . . . . . . . . 5096 1
54 . 1 1 11 11 CYS HB3 H 1 3.038 0.002 . 2 . . . . . . . . 5096 1
55 . 1 1 11 11 CYS HB2 H 1 2.950 0.003 . 2 . . . . . . . . 5096 1
56 . 1 1 12 12 SER H H 1 9.108 0.001 . 1 . . . . . . . . 5096 1
57 . 1 1 12 12 SER HA H 1 4.092 0.000 . 1 . . . . . . . . 5096 1
58 . 1 1 12 12 SER HB2 H 1 4.129 0.000 . 2 . . . . . . . . 5096 1
59 . 1 1 12 12 SER HB3 H 1 3.999 0.001 . 2 . . . . . . . . 5096 1
60 . 1 1 13 13 THR H H 1 7.995 0.001 . 1 . . . . . . . . 5096 1
61 . 1 1 13 13 THR HB H 1 3.849 0.005 . 1 . . . . . . . . 5096 1
62 . 1 1 13 13 THR HA H 1 4.093 0.001 . 1 . . . . . . . . 5096 1
63 . 1 1 13 13 THR HG21 H 1 1.288 0.001 . 1 . . . . . . . . 5096 1
64 . 1 1 13 13 THR HG22 H 1 1.288 0.001 . 1 . . . . . . . . 5096 1
65 . 1 1 13 13 THR HG23 H 1 1.288 0.001 . 1 . . . . . . . . 5096 1
66 . 1 1 14 14 CYS H H 1 8.250 0.002 . 1 . . . . . . . . 5096 1
67 . 1 1 14 14 CYS HA H 1 4.175 0.001 . 1 . . . . . . . . 5096 1
68 . 1 1 14 14 CYS HB3 H 1 3.100 0.002 . 2 . . . . . . . . 5096 1
69 . 1 1 14 14 CYS HB2 H 1 2.506 0.004 . 2 . . . . . . . . 5096 1
70 . 1 1 15 15 ASP H H 1 8.055 0.002 . 1 . . . . . . . . 5096 1
71 . 1 1 15 15 ASP HA H 1 4.139 0.000 . 1 . . . . . . . . 5096 1
72 . 1 1 15 15 ASP HB3 H 1 3.289 0.001 . 2 . . . . . . . . 5096 1
73 . 1 1 15 15 ASP HB2 H 1 2.478 0.001 . 2 . . . . . . . . 5096 1
74 . 1 1 16 16 ILE H H 1 6.833 0.003 . 1 . . . . . . . . 5096 1
75 . 1 1 16 16 ILE HA H 1 4.233 0.001 . 1 . . . . . . . . 5096 1
76 . 1 1 16 16 ILE HB H 1 0.983 0.002 . 1 . . . . . . . . 5096 1
77 . 1 1 16 16 ILE HG21 H 1 0.134 0.004 . 1 . . . . . . . . 5096 1
78 . 1 1 16 16 ILE HG22 H 1 0.134 0.004 . 1 . . . . . . . . 5096 1
79 . 1 1 16 16 ILE HG23 H 1 0.134 0.004 . 1 . . . . . . . . 5096 1
80 . 1 1 16 16 ILE HG12 H 1 0.656 0.003 . 2 . . . . . . . . 5096 1
81 . 1 1 16 16 ILE HG13 H 1 0.608 0.002 . 2 . . . . . . . . 5096 1
82 . 1 1 16 16 ILE HD11 H 1 1.124 0.001 . 1 . . . . . . . . 5096 1
83 . 1 1 16 16 ILE HD12 H 1 1.124 0.001 . 1 . . . . . . . . 5096 1
84 . 1 1 16 16 ILE HD13 H 1 1.124 0.001 . 1 . . . . . . . . 5096 1
85 . 1 1 17 17 SER H H 1 8.338 0.001 . 1 . . . . . . . . 5096 1
86 . 1 1 17 17 SER HA H 1 5.004 0.001 . 1 . . . . . . . . 5096 1
87 . 1 1 17 17 SER HB3 H 1 3.783 0.003 . 2 . . . . . . . . 5096 1
88 . 1 1 17 17 SER HB2 H 1 3.714 0.004 . 2 . . . . . . . . 5096 1
89 . 1 1 18 18 PHE H H 1 8.511 0.002 . 1 . . . . . . . . 5096 1
90 . 1 1 18 18 PHE HA H 1 4.646 0.003 . 1 . . . . . . . . 5096 1
91 . 1 1 18 18 PHE HB3 H 1 3.348 0.003 . 2 . . . . . . . . 5096 1
92 . 1 1 18 18 PHE HB2 H 1 2.708 0.001 . 2 . . . . . . . . 5096 1
93 . 1 1 18 18 PHE HZ H 1 5.991 0.003 . 1 . . . . . . . . 5096 1
94 . 1 1 18 18 PHE HE1 H 1 7.027 0.004 . 3 . . . . . . . . 5096 1
95 . 1 1 18 18 PHE HD1 H 1 7.232 0.003 . 3 . . . . . . . . 5096 1
96 . 1 1 19 19 ASN H H 1 8.992 0.002 . 1 . . . . . . . . 5096 1
97 . 1 1 19 19 ASN HA H 1 4.492 0.005 . 1 . . . . . . . . 5096 1
98 . 1 1 19 19 ASN HB2 H 1 2.479 0.001 . 2 . . . . . . . . 5096 1
99 . 1 1 19 19 ASN HB3 H 1 2.421 0.003 . 2 . . . . . . . . 5096 1
100 . 1 1 19 19 ASN HD21 H 1 7.010 0.003 . 2 . . . . . . . . 5096 1
101 . 1 1 19 19 ASN HD22 H 1 7.373 0.004 . 2 . . . . . . . . 5096 1
102 . 1 1 20 20 TYR H H 1 7.510 0.003 . 1 . . . . . . . . 5096 1
103 . 1 1 20 20 TYR HA H 1 5.156 0.006 . 1 . . . . . . . . 5096 1
104 . 1 1 20 20 TYR HB3 H 1 3.555 0.001 . 2 . . . . . . . . 5096 1
105 . 1 1 20 20 TYR HB2 H 1 2.975 0.005 . 2 . . . . . . . . 5096 1
106 . 1 1 20 20 TYR HE1 H 1 6.927 0.003 . 3 . . . . . . . . 5096 1
107 . 1 1 20 20 TYR HD1 H 1 7.321 0.001 . 3 . . . . . . . . 5096 1
108 . 1 1 21 21 VAL H H 1 9.268 0.001 . 1 . . . . . . . . 5096 1
109 . 1 1 21 21 VAL HA H 1 3.818 0.005 . 1 . . . . . . . . 5096 1
110 . 1 1 21 21 VAL HB H 1 2.200 0.003 . 1 . . . . . . . . 5096 1
111 . 1 1 21 21 VAL HG21 H 1 1.187 0.003 . 2 . . . . . . . . 5096 1
112 . 1 1 21 21 VAL HG22 H 1 1.187 0.003 . 2 . . . . . . . . 5096 1
113 . 1 1 21 21 VAL HG23 H 1 1.187 0.003 . 2 . . . . . . . . 5096 1
114 . 1 1 21 21 VAL HG11 H 1 1.122 0.001 . 2 . . . . . . . . 5096 1
115 . 1 1 21 21 VAL HG12 H 1 1.122 0.001 . 2 . . . . . . . . 5096 1
116 . 1 1 21 21 VAL HG13 H 1 1.122 0.001 . 2 . . . . . . . . 5096 1
117 . 1 1 22 22 LYS H H 1 8.769 0.002 . 1 . . . . . . . . 5096 1
118 . 1 1 22 22 LYS HA H 1 4.046 0.003 . 1 . . . . . . . . 5096 1
119 . 1 1 22 22 LYS HB2 H 1 1.942 0.001 . 2 . . . . . . . . 5096 1
120 . 1 1 22 22 LYS HB3 H 1 1.801 0.002 . 2 . . . . . . . . 5096 1
121 . 1 1 22 22 LYS HG2 H 1 1.425 0.001 . 2 . . . . . . . . 5096 1
122 . 1 1 22 22 LYS HD2 H 1 1.672 0.001 . 2 . . . . . . . . 5096 1
123 . 1 1 22 22 LYS HD3 H 1 1.533 0.000 . 2 . . . . . . . . 5096 1
124 . 1 1 23 23 THR H H 1 7.145 0.001 . 1 . . . . . . . . 5096 1
125 . 1 1 23 23 THR HA H 1 4.140 0.001 . 1 . . . . . . . . 5096 1
126 . 1 1 23 23 THR HB H 1 4.513 0.000 . 1 . . . . . . . . 5096 1
127 . 1 1 23 23 THR HG21 H 1 1.580 0.003 . 1 . . . . . . . . 5096 1
128 . 1 1 23 23 THR HG22 H 1 1.580 0.003 . 1 . . . . . . . . 5096 1
129 . 1 1 23 23 THR HG23 H 1 1.580 0.003 . 1 . . . . . . . . 5096 1
130 . 1 1 24 24 TYR H H 1 7.480 0.001 . 1 . . . . . . . . 5096 1
131 . 1 1 24 24 TYR HA H 1 2.957 0.003 . 1 . . . . . . . . 5096 1
132 . 1 1 24 24 TYR HB2 H 1 3.159 0.004 . 2 . . . . . . . . 5096 1
133 . 1 1 24 24 TYR HB3 H 1 2.784 0.001 . 2 . . . . . . . . 5096 1
134 . 1 1 24 24 TYR HE1 H 1 6.744 0.003 . 3 . . . . . . . . 5096 1
135 . 1 1 24 24 TYR HD1 H 1 6.927 0.004 . 3 . . . . . . . . 5096 1
136 . 1 1 25 25 LEU H H 1 8.772 0.002 . 1 . . . . . . . . 5096 1
137 . 1 1 25 25 LEU HA H 1 3.601 0.001 . 1 . . . . . . . . 5096 1
138 . 1 1 25 25 LEU HB2 H 1 1.802 0.002 . 2 . . . . . . . . 5096 1
139 . 1 1 25 25 LEU HB3 H 1 1.426 0.001 . 2 . . . . . . . . 5096 1
140 . 1 1 25 25 LEU HG H 1 1.918 0.001 . 1 . . . . . . . . 5096 1
141 . 1 1 25 25 LEU HD11 H 1 0.918 0.005 . 2 . . . . . . . . 5096 1
142 . 1 1 25 25 LEU HD12 H 1 0.918 0.005 . 2 . . . . . . . . 5096 1
143 . 1 1 25 25 LEU HD13 H 1 0.918 0.005 . 2 . . . . . . . . 5096 1
144 . 1 1 25 25 LEU HD21 H 1 0.867 0.001 . 2 . . . . . . . . 5096 1
145 . 1 1 25 25 LEU HD22 H 1 0.867 0.001 . 2 . . . . . . . . 5096 1
146 . 1 1 25 25 LEU HD23 H 1 0.867 0.001 . 2 . . . . . . . . 5096 1
147 . 1 1 26 26 ALA H H 1 7.683 0.003 . 1 . . . . . . . . 5096 1
148 . 1 1 26 26 ALA HA H 1 4.154 0.004 . 1 . . . . . . . . 5096 1
149 . 1 1 26 26 ALA HB1 H 1 1.542 0.002 . 1 . . . . . . . . 5096 1
150 . 1 1 26 26 ALA HB2 H 1 1.542 0.002 . 1 . . . . . . . . 5096 1
151 . 1 1 26 26 ALA HB3 H 1 1.542 0.002 . 1 . . . . . . . . 5096 1
152 . 1 1 27 27 HIS H H 1 7.718 0.001 . 1 . . . . . . . . 5096 1
153 . 1 1 27 27 HIS HA H 1 4.438 0.003 . 1 . . . . . . . . 5096 1
154 . 1 1 27 27 HIS HB3 H 1 3.354 0.004 . 2 . . . . . . . . 5096 1
155 . 1 1 27 27 HIS HB2 H 1 3.049 0.002 . 2 . . . . . . . . 5096 1
156 . 1 1 27 27 HIS HD2 H 1 6.899 0.001 . 1 . . . . . . . . 5096 1
157 . 1 1 27 27 HIS HE1 H 1 7.695 0.001 . 1 . . . . . . . . 5096 1
158 . 1 1 28 28 LYS H H 1 8.429 0.002 . 1 . . . . . . . . 5096 1
159 . 1 1 28 28 LYS HA H 1 3.818 0.006 . 1 . . . . . . . . 5096 1
160 . 1 1 28 28 LYS HB3 H 1 1.722 0.003 . 2 . . . . . . . . 5096 1
161 . 1 1 28 28 LYS HB2 H 1 1.609 0.003 . 2 . . . . . . . . 5096 1
162 . 1 1 28 28 LYS HG2 H 1 1.334 0.001 . 2 . . . . . . . . 5096 1
163 . 1 1 28 28 LYS HD2 H 1 1.553 0.000 . 2 . . . . . . . . 5096 1
164 . 1 1 29 29 GLN H H 1 7.863 0.002 . 1 . . . . . . . . 5096 1
165 . 1 1 29 29 GLN HA H 1 3.905 0.000 . 1 . . . . . . . . 5096 1
166 . 1 1 29 29 GLN HB2 H 1 2.008 0.001 . 2 . . . . . . . . 5096 1
167 . 1 1 29 29 GLN HB3 H 1 1.868 0.003 . 2 . . . . . . . . 5096 1
168 . 1 1 29 29 GLN HG2 H 1 2.270 0.003 . 2 . . . . . . . . 5096 1
169 . 1 1 29 29 GLN HG3 H 1 2.095 0.000 . 2 . . . . . . . . 5096 1
170 . 1 1 29 29 GLN HE21 H 1 6.818 0.000 . 2 . . . . . . . . 5096 1
171 . 1 1 29 29 GLN HE22 H 1 7.305 0.005 . 2 . . . . . . . . 5096 1
172 . 1 1 30 30 PHE H H 1 7.922 0.002 . 1 . . . . . . . . 5096 1
173 . 1 1 30 30 PHE HA H 1 4.302 0.000 . 1 . . . . . . . . 5096 1
174 . 1 1 30 30 PHE HB2 H 1 2.999 0.006 . 2 . . . . . . . . 5096 1
175 . 1 1 30 30 PHE HB3 H 1 2.785 0.003 . 2 . . . . . . . . 5096 1
176 . 1 1 30 30 PHE HD1 H 1 6.695 0.004 . 3 . . . . . . . . 5096 1
177 . 1 1 30 30 PHE HE1 H 1 7.203 0.000 . 3 . . . . . . . . 5096 1
178 . 1 1 31 31 TYR H H 1 8.238 0.001 . 1 . . . . . . . . 5096 1
179 . 1 1 31 31 TYR HA H 1 4.092 0.001 . 1 . . . . . . . . 5096 1
180 . 1 1 31 31 TYR HB3 H 1 2.105 0.002 . 2 . . . . . . . . 5096 1
181 . 1 1 31 31 TYR HB2 H 1 1.895 0.001 . 2 . . . . . . . . 5096 1
182 . 1 1 31 31 TYR HD1 H 1 6.734 0.001 . 3 . . . . . . . . 5096 1
183 . 1 1 31 31 TYR HE1 H 1 6.878 0.002 . 3 . . . . . . . . 5096 1
184 . 1 1 32 32 HIS H H 1 7.413 0.001 . 1 . . . . . . . . 5096 1
185 . 1 1 32 32 HIS HA H 1 5.002 0.002 . 1 . . . . . . . . 5096 1
186 . 1 1 32 32 HIS HB3 H 1 3.344 0.002 . 2 . . . . . . . . 5096 1
187 . 1 1 32 32 HIS HB2 H 1 3.275 0.001 . 2 . . . . . . . . 5096 1
188 . 1 1 32 32 HIS HD2 H 1 6.727 0.004 . 1 . . . . . . . . 5096 1
189 . 1 1 32 32 HIS HE1 H 1 7.852 0.000 . 1 . . . . . . . . 5096 1
190 . 1 1 33 33 LYS H H 1 7.712 0.002 . 1 . . . . . . . . 5096 1
191 . 1 1 33 33 LYS HA H 1 4.131 0.007 . 1 . . . . . . . . 5096 1
192 . 1 1 33 33 LYS HB2 H 1 1.806 0.005 . 2 . . . . . . . . 5096 1
193 . 1 1 33 33 LYS HG2 H 1 1.336 0.002 . 2 . . . . . . . . 5096 1
194 . 1 1 33 33 LYS HD2 H 1 1.641 0.000 . 2 . . . . . . . . 5096 1
195 . 1 1 34 34 ASN H H 1 8.514 0.002 . 1 . . . . . . . . 5096 1
196 . 1 1 34 34 ASN HA H 1 4.593 0.007 . 1 . . . . . . . . 5096 1
197 . 1 1 34 34 ASN HB2 H 1 2.855 0.002 . 2 . . . . . . . . 5096 1
198 . 1 1 34 34 ASN HB3 H 1 2.746 0.001 . 2 . . . . . . . . 5096 1
199 . 1 1 34 34 ASN HD21 H 1 6.942 0.001 . 2 . . . . . . . . 5096 1
200 . 1 1 34 34 ASN HD22 H 1 7.595 0.002 . 2 . . . . . . . . 5096 1
201 . 1 1 35 35 LYS H H 1 7.997 0.001 . 1 . . . . . . . . 5096 1
202 . 1 1 35 35 LYS HA H 1 4.637 0.002 . 1 . . . . . . . . 5096 1
203 . 1 1 35 35 LYS HB2 H 1 1.869 0.001 . 2 . . . . . . . . 5096 1
204 . 1 1 35 35 LYS HB3 H 1 1.750 0.000 . 2 . . . . . . . . 5096 1
205 . 1 1 35 35 LYS HG2 H 1 1.475 0.002 . 2 . . . . . . . . 5096 1
206 . 1 1 35 35 LYS HD2 H 1 1.681 0.005 . 2 . . . . . . . . 5096 1
207 . 1 1 36 36 PRO HD2 H 1 3.760 0.000 . 2 . . . . . . . . 5096 1
208 . 1 1 36 36 PRO HD3 H 1 3.638 0.000 . 2 . . . . . . . . 5096 1
stop_
save_