###################################
# 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
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 19255
_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 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zpd/ebi/EBI-55996.csh'
_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' 1 $sample_1 solution 19255 1
2 '3D 1H-15N NOESY' 1 $sample_1 solution 19255 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.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 2 2 ALA H H 1 6.78866 0 . . . . . . . 2 ALA H . 19255 1
2 . 1 1 2 2 ALA N N 15 129.16984 0 . . . . . . . 2 ALA N . 19255 1
3 . 1 1 3 3 CYS H H 1 7.79390 0 . . . . . . . 3 CYS H . 19255 1
4 . 1 1 3 3 CYS N N 15 112.24906 0 . . . . . . . 3 CYS N . 19255 1
5 . 1 1 4 4 LYS H H 1 10.00162 0 . . . . . . . 4 LYS H . 19255 1
6 . 1 1 4 4 LYS N N 15 121.24398 0 . . . . . . . 4 LYS N . 19255 1
7 . 1 1 5 5 THR H H 1 8.80318 0 . . . . . . . 5 THR H . 19255 1
8 . 1 1 5 5 THR N N 15 109.53710 0 . . . . . . . 5 THR N . 19255 1
9 . 1 1 6 6 ALA H H 1 8.67880 0 . . . . . . . 6 ALA H . 19255 1
10 . 1 1 6 6 ALA N N 15 123.50651 0 . . . . . . . 6 ALA N . 19255 1
11 . 1 1 7 7 ASN H H 1 8.14324 0 . . . . . . . 7 ASN H . 19255 1
12 . 1 1 7 7 ASN HD21 H 1 7.09079 0 . . . . . . . 7 ASN HD21 . 19255 1
13 . 1 1 7 7 ASN HD22 H 1 7.83010 0 . . . . . . . 7 ASN HD22 . 19255 1
14 . 1 1 7 7 ASN N N 15 112.98622 0 . . . . . . . 7 ASN N . 19255 1
15 . 1 1 7 7 ASN ND2 N 15 112.61949 0 . . . . . . . 7 ASN ND2 . 19255 1
16 . 1 1 8 8 GLY H H 1 8.08212 0 . . . . . . . 8 GLY H . 19255 1
17 . 1 1 8 8 GLY N N 15 107.78406 0 . . . . . . . 8 GLY N . 19255 1
18 . 1 1 9 9 THR H H 1 7.78124 0 . . . . . . . 9 THR H . 19255 1
19 . 1 1 9 9 THR N N 15 118.44485 0 . . . . . . . 9 THR N . 19255 1
20 . 1 1 10 10 ALA H H 1 8.74270 0 . . . . . . . 10 ALA H . 19255 1
21 . 1 1 10 10 ALA N N 15 128.22905 0 . . . . . . . 10 ALA N . 19255 1
22 . 1 1 11 11 ILE H H 1 8.44355 0 . . . . . . . 11 ILE H . 19255 1
23 . 1 1 11 11 ILE N N 15 120.74703 0 . . . . . . . 11 ILE N . 19255 1
24 . 1 1 13 13 ILE H H 1 7.72431 0 . . . . . . . 13 ILE H . 19255 1
25 . 1 1 13 13 ILE N N 15 115.68015 0 . . . . . . . 13 ILE N . 19255 1
26 . 1 1 14 14 GLY H H 1 8.27253 0 . . . . . . . 14 GLY H . 19255 1
27 . 1 1 14 14 GLY N N 15 116.28567 0 . . . . . . . 14 GLY N . 19255 1
28 . 1 1 15 15 GLY H H 1 7.61257 0 . . . . . . . 15 GLY H . 19255 1
29 . 1 1 15 15 GLY N N 15 108.84118 0 . . . . . . . 15 GLY N . 19255 1
30 . 1 1 16 16 GLY H H 1 7.55402 0 . . . . . . . 16 GLY H . 19255 1
31 . 1 1 16 16 GLY N N 15 104.13034 0 . . . . . . . 16 GLY N . 19255 1
32 . 1 1 17 17 SER H H 1 8.33551 0 . . . . . . . 17 SER H . 19255 1
33 . 1 1 17 17 SER N N 15 115.57772 0 . . . . . . . 17 SER N . 19255 1
34 . 1 1 18 18 ALA H H 1 8.53339 0 . . . . . . . 18 ALA H . 19255 1
35 . 1 1 18 18 ALA N N 15 122.29101 0 . . . . . . . 18 ALA N . 19255 1
36 . 1 1 19 19 ASN H H 1 8.68622 0 . . . . . . . 19 ASN H . 19255 1
37 . 1 1 19 19 ASN HD21 H 1 6.95268 0 . . . . . . . 19 ASN HD21 . 19255 1
38 . 1 1 19 19 ASN HD22 H 1 7.39589 0 . . . . . . . 19 ASN HD22 . 19255 1
39 . 1 1 19 19 ASN N N 15 119.17091 0 . . . . . . . 19 ASN N . 19255 1
40 . 1 1 19 19 ASN ND2 N 15 112.45982 0 . . . . . . . 19 ASN ND2 . 19255 1
41 . 1 1 20 20 VAL H H 1 9.50748 0 . . . . . . . 20 VAL H . 19255 1
42 . 1 1 20 20 VAL N N 15 124.22688 0 . . . . . . . 20 VAL N . 19255 1
43 . 1 1 21 21 TYR H H 1 8.87416 0 . . . . . . . 21 TYR H . 19255 1
44 . 1 1 21 21 TYR N N 15 128.46532 0 . . . . . . . 21 TYR N . 19255 1
45 . 1 1 22 22 VAL H H 1 8.74259 0 . . . . . . . 22 VAL H . 19255 1
46 . 1 1 22 22 VAL N N 15 116.15927 0 . . . . . . . 22 VAL N . 19255 1
47 . 1 1 23 23 ASN H H 1 8.90350 0 . . . . . . . 23 ASN H . 19255 1
48 . 1 1 23 23 ASN HD21 H 1 7.09430 0 . . . . . . . 23 ASN HD21 . 19255 1
49 . 1 1 23 23 ASN HD22 H 1 7.65106 0 . . . . . . . 23 ASN HD22 . 19255 1
50 . 1 1 23 23 ASN N N 15 124.28612 0 . . . . . . . 23 ASN N . 19255 1
51 . 1 1 23 23 ASN ND2 N 15 114.45650 0 . . . . . . . 23 ASN ND2 . 19255 1
52 . 1 1 24 24 LEU H H 1 9.09496 0 . . . . . . . 24 LEU H . 19255 1
53 . 1 1 24 24 LEU N N 15 124.58135 0 . . . . . . . 24 LEU N . 19255 1
54 . 1 1 25 25 ALA H H 1 7.90067 0 . . . . . . . 25 ALA H . 19255 1
55 . 1 1 25 25 ALA N N 15 128.92936 0 . . . . . . . 25 ALA N . 19255 1
56 . 1 1 27 27 VAL H H 1 7.34738 0 . . . . . . . 27 VAL H . 19255 1
57 . 1 1 27 27 VAL N N 15 118.12124 0 . . . . . . . 27 VAL N . 19255 1
58 . 1 1 28 28 VAL H H 1 8.63143 0 . . . . . . . 28 VAL H . 19255 1
59 . 1 1 28 28 VAL N N 15 126.60545 0 . . . . . . . 28 VAL N . 19255 1
60 . 1 1 29 29 ASN H H 1 8.10306 0 . . . . . . . 29 ASN H . 19255 1
61 . 1 1 29 29 ASN HD21 H 1 6.82487 0 . . . . . . . 29 ASN HD21 . 19255 1
62 . 1 1 29 29 ASN HD22 H 1 7.32374 0 . . . . . . . 29 ASN HD22 . 19255 1
63 . 1 1 29 29 ASN N N 15 121.60292 0 . . . . . . . 29 ASN N . 19255 1
64 . 1 1 29 29 ASN ND2 N 15 111.53542 0 . . . . . . . 29 ASN ND2 . 19255 1
65 . 1 1 30 30 VAL H H 1 8.61717 0 . . . . . . . 30 VAL H . 19255 1
66 . 1 1 30 30 VAL N N 15 119.45864 0 . . . . . . . 30 VAL N . 19255 1
67 . 1 1 31 31 GLY H H 1 8.79128 0 . . . . . . . 31 GLY H . 19255 1
68 . 1 1 31 31 GLY N N 15 115.24651 0 . . . . . . . 31 GLY N . 19255 1
69 . 1 1 32 32 GLN H H 1 8.11971 0 . . . . . . . 32 GLN H . 19255 1
70 . 1 1 32 32 GLN HE21 H 1 6.91914 0 . . . . . . . 32 GLN HE21 . 19255 1
71 . 1 1 32 32 GLN HE22 H 1 7.65499 0 . . . . . . . 32 GLN HE22 . 19255 1
72 . 1 1 32 32 GLN N N 15 120.00801 0 . . . . . . . 32 GLN N . 19255 1
73 . 1 1 32 32 GLN NE2 N 15 113.15714 0 . . . . . . . 32 GLN NE2 . 19255 1
74 . 1 1 33 33 ASN H H 1 8.51398 0 . . . . . . . 33 ASN H . 19255 1
75 . 1 1 33 33 ASN HD21 H 1 6.88373 0 . . . . . . . 33 ASN HD21 . 19255 1
76 . 1 1 33 33 ASN HD22 H 1 7.46090 0 . . . . . . . 33 ASN HD22 . 19255 1
77 . 1 1 33 33 ASN N N 15 116.78802 0 . . . . . . . 33 ASN N . 19255 1
78 . 1 1 33 33 ASN ND2 N 15 112.03235 0 . . . . . . . 33 ASN ND2 . 19255 1
79 . 1 1 34 34 LEU H H 1 9.83780 0 . . . . . . . 34 LEU H . 19255 1
80 . 1 1 34 34 LEU N N 15 126.42075 0 . . . . . . . 34 LEU N . 19255 1
81 . 1 1 35 35 VAL H H 1 8.62215 0 . . . . . . . 35 VAL H . 19255 1
82 . 1 1 35 35 VAL N N 15 127.49928 0 . . . . . . . 35 VAL N . 19255 1
83 . 1 1 36 36 VAL H H 1 8.94314 0 . . . . . . . 36 VAL H . 19255 1
84 . 1 1 36 36 VAL N N 15 129.24114 0 . . . . . . . 36 VAL N . 19255 1
85 . 1 1 37 37 ASP H H 1 8.98568 0 . . . . . . . 37 ASP H . 19255 1
86 . 1 1 37 37 ASP N N 15 126.57866 0 . . . . . . . 37 ASP N . 19255 1
87 . 1 1 38 38 LEU H H 1 8.50509 0 . . . . . . . 38 LEU H . 19255 1
88 . 1 1 38 38 LEU N N 15 125.36540 0 . . . . . . . 38 LEU N . 19255 1
89 . 1 1 39 39 SER H H 1 8.71952 0 . . . . . . . 39 SER H . 19255 1
90 . 1 1 39 39 SER N N 15 120.31867 0 . . . . . . . 39 SER N . 19255 1
91 . 1 1 40 40 THR H H 1 6.65887 0 . . . . . . . 40 THR H . 19255 1
92 . 1 1 40 40 THR N N 15 105.62532 0 . . . . . . . 40 THR N . 19255 1
93 . 1 1 41 41 GLN H H 1 7.58530 0 . . . . . . . 41 GLN H . 19255 1
94 . 1 1 41 41 GLN HE21 H 1 6.80403 0 . . . . . . . 41 GLN HE21 . 19255 1
95 . 1 1 41 41 GLN HE22 H 1 7.47859 0 . . . . . . . 41 GLN HE22 . 19255 1
96 . 1 1 41 41 GLN N N 15 117.31673 0 . . . . . . . 41 GLN N . 19255 1
97 . 1 1 41 41 GLN NE2 N 15 112.32923 0 . . . . . . . 41 GLN NE2 . 19255 1
98 . 1 1 42 42 ILE H H 1 7.21269 0 . . . . . . . 42 ILE H . 19255 1
99 . 1 1 42 42 ILE N N 15 118.12800 0 . . . . . . . 42 ILE N . 19255 1
100 . 1 1 43 43 PHE H H 1 8.55309 0 . . . . . . . 43 PHE H . 19255 1
101 . 1 1 43 43 PHE N N 15 123.53125 0 . . . . . . . 43 PHE N . 19255 1
102 . 1 1 44 44 CYS H H 1 9.19320 0 . . . . . . . 44 CYS H . 19255 1
103 . 1 1 44 44 CYS N N 15 118.09813 0 . . . . . . . 44 CYS N . 19255 1
104 . 1 1 45 45 HIS H H 1 7.46511 0 . . . . . . . 45 HIS H . 19255 1
105 . 1 1 45 45 HIS N N 15 112.68893 0 . . . . . . . 45 HIS N . 19255 1
106 . 1 1 46 46 ASN H H 1 7.78354 0 . . . . . . . 46 ASN H . 19255 1
107 . 1 1 46 46 ASN N N 15 118.73702 0 . . . . . . . 46 ASN N . 19255 1
108 . 1 1 47 47 ASP H H 1 9.41947 0 . . . . . . . 47 ASP H . 19255 1
109 . 1 1 47 47 ASP N N 15 123.88724 0 . . . . . . . 47 ASP N . 19255 1
110 . 1 1 48 48 ALA H H 1 9.59463 0.00596 . . . . . . . 48 ALA H . 19255 1
111 . 1 1 48 48 ALA N N 15 124.94477 0.00270 . . . . . . . 48 ALA N . 19255 1
112 . 1 1 50 50 GLU H H 1 8.97149 0 . . . . . . . 50 GLU H . 19255 1
113 . 1 1 50 50 GLU N N 15 118.71759 0 . . . . . . . 50 GLU N . 19255 1
114 . 1 1 51 51 THR H H 1 7.60711 0 . . . . . . . 51 THR H . 19255 1
115 . 1 1 51 51 THR N N 15 106.47418 0 . . . . . . . 51 THR N . 19255 1
116 . 1 1 52 52 ILE H H 1 8.25189 0 . . . . . . . 52 ILE H . 19255 1
117 . 1 1 52 52 ILE N N 15 123.92385 0 . . . . . . . 52 ILE N . 19255 1
118 . 1 1 53 53 THR H H 1 8.46453 0 . . . . . . . 53 THR H . 19255 1
119 . 1 1 53 53 THR N N 15 123.80841 0 . . . . . . . 53 THR N . 19255 1
120 . 1 1 54 54 ASP H H 1 6.89766 0 . . . . . . . 54 ASP H . 19255 1
121 . 1 1 54 54 ASP N N 15 124.90601 0 . . . . . . . 54 ASP N . 19255 1
122 . 1 1 55 55 TYR H H 1 8.80844 0 . . . . . . . 55 TYR H . 19255 1
123 . 1 1 55 55 TYR N N 15 121.13738 0 . . . . . . . 55 TYR N . 19255 1
124 . 1 1 56 56 VAL H H 1 9.25935 0 . . . . . . . 56 VAL H . 19255 1
125 . 1 1 56 56 VAL N N 15 121.47371 0 . . . . . . . 56 VAL N . 19255 1
126 . 1 1 57 57 THR H H 1 9.64564 0 . . . . . . . 57 THR H . 19255 1
127 . 1 1 57 57 THR N N 15 123.65212 0 . . . . . . . 57 THR N . 19255 1
128 . 1 1 58 58 LEU H H 1 7.42380 0 . . . . . . . 58 LEU H . 19255 1
129 . 1 1 58 58 LEU N N 15 120.38492 0 . . . . . . . 58 LEU N . 19255 1
130 . 1 1 59 59 GLN H H 1 9.21656 0 . . . . . . . 59 GLN H . 19255 1
131 . 1 1 59 59 GLN HE21 H 1 6.59354 0 . . . . . . . 59 GLN HE21 . 19255 1
132 . 1 1 59 59 GLN HE22 H 1 7.22308 0 . . . . . . . 59 GLN HE22 . 19255 1
133 . 1 1 59 59 GLN N N 15 130.94001 0 . . . . . . . 59 GLN N . 19255 1
134 . 1 1 59 59 GLN NE2 N 15 108.45854 0 . . . . . . . 59 GLN NE2 . 19255 1
135 . 1 1 60 60 ARG H H 1 7.12996 0 . . . . . . . 60 ARG H . 19255 1
136 . 1 1 60 60 ARG HE H 1 7.13714 0 . . . . . . . 60 ARG HE . 19255 1
137 . 1 1 60 60 ARG N N 15 112.70820 0 . . . . . . . 60 ARG N . 19255 1
138 . 1 1 60 60 ARG NE N 15 84.31290 0 . . . . . . . 60 ARG NE . 19255 1
139 . 1 1 61 61 GLY H H 1 9.31419 0 . . . . . . . 61 GLY H . 19255 1
140 . 1 1 61 61 GLY N N 15 112.70062 0 . . . . . . . 61 GLY N . 19255 1
141 . 1 1 62 62 SER H H 1 9.15015 0 . . . . . . . 62 SER H . 19255 1
142 . 1 1 62 62 SER N N 15 122.20833 0 . . . . . . . 62 SER N . 19255 1
143 . 1 1 63 63 ALA H H 1 8.12546 0 . . . . . . . 63 ALA H . 19255 1
144 . 1 1 63 63 ALA N N 15 125.90309 0 . . . . . . . 63 ALA N . 19255 1
145 . 1 1 64 64 TYR H H 1 7.64045 0 . . . . . . . 64 TYR H . 19255 1
146 . 1 1 64 64 TYR N N 15 116.13553 0 . . . . . . . 64 TYR N . 19255 1
147 . 1 1 65 65 GLY H H 1 8.93962 0 . . . . . . . 65 GLY H . 19255 1
148 . 1 1 65 65 GLY N N 15 108.39936 0 . . . . . . . 65 GLY N . 19255 1
149 . 1 1 66 66 GLY H H 1 9.64479 0 . . . . . . . 66 GLY H . 19255 1
150 . 1 1 66 66 GLY N N 15 114.64713 0 . . . . . . . 66 GLY N . 19255 1
151 . 1 1 67 67 VAL H H 1 7.66892 0 . . . . . . . 67 VAL H . 19255 1
152 . 1 1 67 67 VAL N N 15 119.71390 0 . . . . . . . 67 VAL N . 19255 1
153 . 1 1 68 68 LEU H H 1 6.57313 0 . . . . . . . 68 LEU H . 19255 1
154 . 1 1 68 68 LEU N N 15 118.77115 0 . . . . . . . 68 LEU N . 19255 1
155 . 1 1 69 69 SER H H 1 7.88211 0 . . . . . . . 69 SER H . 19255 1
156 . 1 1 69 69 SER N N 15 109.30434 0 . . . . . . . 69 SER N . 19255 1
157 . 1 1 70 70 ASN H H 1 8.10547 0 . . . . . . . 70 ASN H . 19255 1
158 . 1 1 70 70 ASN HD21 H 1 7.33928 0 . . . . . . . 70 ASN HD21 . 19255 1
159 . 1 1 70 70 ASN HD22 H 1 7.89919 0 . . . . . . . 70 ASN HD22 . 19255 1
160 . 1 1 70 70 ASN N N 15 114.27093 0 . . . . . . . 70 ASN N . 19255 1
161 . 1 1 70 70 ASN ND2 N 15 116.97080 0 . . . . . . . 70 ASN ND2 . 19255 1
162 . 1 1 71 71 PHE H H 1 7.86793 0 . . . . . . . 71 PHE H . 19255 1
163 . 1 1 71 71 PHE N N 15 116.99563 0 . . . . . . . 71 PHE N . 19255 1
164 . 1 1 72 72 SER H H 1 9.19566 0 . . . . . . . 72 SER H . 19255 1
165 . 1 1 72 72 SER N N 15 115.36688 0 . . . . . . . 72 SER N . 19255 1
166 . 1 1 73 73 GLY H H 1 8.93463 0 . . . . . . . 73 GLY H . 19255 1
167 . 1 1 73 73 GLY N N 15 109.68365 0 . . . . . . . 73 GLY N . 19255 1
168 . 1 1 74 74 THR H H 1 8.69480 0 . . . . . . . 74 THR H . 19255 1
169 . 1 1 74 74 THR N N 15 111.86074 0 . . . . . . . 74 THR N . 19255 1
170 . 1 1 75 75 VAL H H 1 9.57498 0 . . . . . . . 75 VAL H . 19255 1
171 . 1 1 75 75 VAL N N 15 119.75318 0 . . . . . . . 75 VAL N . 19255 1
172 . 1 1 76 76 LYS H H 1 9.48374 0 . . . . . . . 76 LYS H . 19255 1
173 . 1 1 76 76 LYS N N 15 128.25656 0 . . . . . . . 76 LYS N . 19255 1
174 . 1 1 77 77 TYR H H 1 9.36052 0 . . . . . . . 77 TYR H . 19255 1
175 . 1 1 77 77 TYR N N 15 125.55995 0 . . . . . . . 77 TYR N . 19255 1
176 . 1 1 78 78 SER H H 1 8.87141 0 . . . . . . . 78 SER H . 19255 1
177 . 1 1 78 78 SER N N 15 125.31728 0 . . . . . . . 78 SER N . 19255 1
178 . 1 1 79 79 GLY H H 1 8.72177 0 . . . . . . . 79 GLY H . 19255 1
179 . 1 1 79 79 GLY N N 15 105.22046 0 . . . . . . . 79 GLY N . 19255 1
180 . 1 1 80 80 SER H H 1 7.50953 0 . . . . . . . 80 SER H . 19255 1
181 . 1 1 80 80 SER N N 15 117.19976 0 . . . . . . . 80 SER N . 19255 1
182 . 1 1 81 81 SER H H 1 8.30643 0 . . . . . . . 81 SER H . 19255 1
183 . 1 1 81 81 SER N N 15 118.02933 0 . . . . . . . 81 SER N . 19255 1
184 . 1 1 82 82 TYR H H 1 9.21535 0 . . . . . . . 82 TYR H . 19255 1
185 . 1 1 82 82 TYR N N 15 123.76452 0 . . . . . . . 82 TYR N . 19255 1
186 . 1 1 84 84 PHE H H 1 7.50369 0 . . . . . . . 84 PHE H . 19255 1
187 . 1 1 84 84 PHE N N 15 119.39808 0 . . . . . . . 84 PHE N . 19255 1
188 . 1 1 86 86 THR H H 1 8.34254 0 . . . . . . . 86 THR H . 19255 1
189 . 1 1 86 86 THR N N 15 113.67125 0 . . . . . . . 86 THR N . 19255 1
190 . 1 1 87 87 THR H H 1 8.77847 0 . . . . . . . 87 THR H . 19255 1
191 . 1 1 87 87 THR N N 15 110.27300 0 . . . . . . . 87 THR N . 19255 1
192 . 1 1 88 88 SER H H 1 7.68867 0 . . . . . . . 88 SER H . 19255 1
193 . 1 1 88 88 SER N N 15 116.25114 0 . . . . . . . 88 SER N . 19255 1
194 . 1 1 89 89 GLU H H 1 8.40548 0 . . . . . . . 89 GLU H . 19255 1
195 . 1 1 89 89 GLU N N 15 124.55261 0 . . . . . . . 89 GLU N . 19255 1
196 . 1 1 90 90 THR H H 1 7.57593 0 . . . . . . . 90 THR H . 19255 1
197 . 1 1 90 90 THR N N 15 116.94953 0 . . . . . . . 90 THR N . 19255 1
198 . 1 1 92 92 ARG H H 1 8.20401 0 . . . . . . . 92 ARG H . 19255 1
199 . 1 1 92 92 ARG HE H 1 6.88276 0 . . . . . . . 92 ARG HE . 19255 1
200 . 1 1 92 92 ARG N N 15 117.52330 0 . . . . . . . 92 ARG N . 19255 1
201 . 1 1 92 92 ARG NE N 15 83.60225 0 . . . . . . . 92 ARG NE . 19255 1
202 . 1 1 93 93 VAL H H 1 9.22639 0 . . . . . . . 93 VAL H . 19255 1
203 . 1 1 93 93 VAL N N 15 121.34319 0 . . . . . . . 93 VAL N . 19255 1
204 . 1 1 94 94 VAL H H 1 8.48395 0 . . . . . . . 94 VAL H . 19255 1
205 . 1 1 94 94 VAL N N 15 125.36540 0 . . . . . . . 94 VAL N . 19255 1
206 . 1 1 95 95 TYR H H 1 9.14305 0 . . . . . . . 95 TYR H . 19255 1
207 . 1 1 95 95 TYR N N 15 126.41740 0 . . . . . . . 95 TYR N . 19255 1
208 . 1 1 96 96 ASN H H 1 9.15385 0 . . . . . . . 96 ASN H . 19255 1
209 . 1 1 96 96 ASN HD21 H 1 6.86182 0 . . . . . . . 96 ASN HD21 . 19255 1
210 . 1 1 96 96 ASN HD22 H 1 7.62100 0 . . . . . . . 96 ASN HD22 . 19255 1
211 . 1 1 96 96 ASN N N 15 124.31649 0 . . . . . . . 96 ASN N . 19255 1
212 . 1 1 96 96 ASN ND2 N 15 110.50236 0 . . . . . . . 96 ASN ND2 . 19255 1
213 . 1 1 97 97 SER H H 1 7.40635 0 . . . . . . . 97 SER H . 19255 1
214 . 1 1 97 97 SER N N 15 109.65279 0 . . . . . . . 97 SER N . 19255 1
215 . 1 1 98 98 ARG H H 1 9.42436 0 . . . . . . . 98 ARG H . 19255 1
216 . 1 1 98 98 ARG HE H 1 7.30693 0 . . . . . . . 98 ARG HE . 19255 1
217 . 1 1 98 98 ARG N N 15 128.88217 0 . . . . . . . 98 ARG N . 19255 1
218 . 1 1 98 98 ARG NE N 15 84.96181 0 . . . . . . . 98 ARG NE . 19255 1
219 . 1 1 99 99 THR H H 1 8.31773 0 . . . . . . . 99 THR H . 19255 1
220 . 1 1 99 99 THR N N 15 116.79467 0 . . . . . . . 99 THR N . 19255 1
221 . 1 1 100 100 ASP H H 1 8.46808 0 . . . . . . . 100 ASP H . 19255 1
222 . 1 1 100 100 ASP N N 15 126.17244 0 . . . . . . . 100 ASP N . 19255 1
223 . 1 1 101 101 LYS H H 1 9.39072 0 . . . . . . . 101 LYS H . 19255 1
224 . 1 1 101 101 LYS N N 15 124.70455 0 . . . . . . . 101 LYS N . 19255 1
225 . 1 1 103 103 TRP H H 1 8.34440 0 . . . . . . . 103 TRP H . 19255 1
226 . 1 1 103 103 TRP HE1 H 1 9.04644 0 . . . . . . . 103 TRP HE1 . 19255 1
227 . 1 1 103 103 TRP N N 15 128.40256 0 . . . . . . . 103 TRP N . 19255 1
228 . 1 1 103 103 TRP NE1 N 15 128.07575 0 . . . . . . . 103 TRP NE1 . 19255 1
229 . 1 1 105 105 VAL H H 1 8.08888 0 . . . . . . . 105 VAL H . 19255 1
230 . 1 1 105 105 VAL N N 15 125.75676 0 . . . . . . . 105 VAL N . 19255 1
231 . 1 1 106 106 ALA H H 1 8.37391 0 . . . . . . . 106 ALA H . 19255 1
232 . 1 1 106 106 ALA N N 15 125.89023 0 . . . . . . . 106 ALA N . 19255 1
233 . 1 1 107 107 LEU H H 1 8.64936 0 . . . . . . . 107 LEU H . 19255 1
234 . 1 1 107 107 LEU N N 15 120.14294 0 . . . . . . . 107 LEU N . 19255 1
235 . 1 1 108 108 TYR H H 1 8.95075 0 . . . . . . . 108 TYR H . 19255 1
236 . 1 1 108 108 TYR N N 15 123.33578 0 . . . . . . . 108 TYR N . 19255 1
237 . 1 1 109 109 LEU H H 1 9.01860 0 . . . . . . . 109 LEU H . 19255 1
238 . 1 1 109 109 LEU N N 15 124.99814 0 . . . . . . . 109 LEU N . 19255 1
239 . 1 1 110 110 THR H H 1 9.64406 0 . . . . . . . 110 THR H . 19255 1
240 . 1 1 110 110 THR N N 15 120.40145 0 . . . . . . . 110 THR N . 19255 1
241 . 1 1 112 112 VAL H H 1 8.09132 0 . . . . . . . 112 VAL H . 19255 1
242 . 1 1 112 112 VAL N N 15 118.33551 0 . . . . . . . 112 VAL N . 19255 1
243 . 1 1 113 113 SER H H 1 8.31478 0 . . . . . . . 113 SER H . 19255 1
244 . 1 1 113 113 SER N N 15 114.86049 0 . . . . . . . 113 SER N . 19255 1
245 . 1 1 114 114 SER H H 1 7.73010 0 . . . . . . . 114 SER H . 19255 1
246 . 1 1 114 114 SER N N 15 112.80350 0 . . . . . . . 114 SER N . 19255 1
247 . 1 1 115 115 ALA H H 1 7.73922 0 . . . . . . . 115 ALA H . 19255 1
248 . 1 1 115 115 ALA N N 15 126.06817 0 . . . . . . . 115 ALA N . 19255 1
249 . 1 1 116 116 GLY H H 1 8.11857 0 . . . . . . . 116 GLY H . 19255 1
250 . 1 1 116 116 GLY N N 15 106.52736 0 . . . . . . . 116 GLY N . 19255 1
251 . 1 1 117 117 GLY H H 1 8.64779 0 . . . . . . . 117 GLY H . 19255 1
252 . 1 1 117 117 GLY N N 15 111.76920 0 . . . . . . . 117 GLY N . 19255 1
253 . 1 1 118 118 VAL H H 1 8.62163 0 . . . . . . . 118 VAL H . 19255 1
254 . 1 1 118 118 VAL N N 15 122.55194 0 . . . . . . . 118 VAL N . 19255 1
255 . 1 1 119 119 ALA H H 1 9.10129 0 . . . . . . . 119 ALA H . 19255 1
256 . 1 1 119 119 ALA N N 15 134.67730 0 . . . . . . . 119 ALA N . 19255 1
257 . 1 1 120 120 ILE H H 1 7.62826 0 . . . . . . . 120 ILE H . 19255 1
258 . 1 1 120 120 ILE N N 15 115.64396 0 . . . . . . . 120 ILE N . 19255 1
259 . 1 1 121 121 LYS H H 1 8.41122 0 . . . . . . . 121 LYS H . 19255 1
260 . 1 1 121 121 LYS N N 15 125.64257 0 . . . . . . . 121 LYS N . 19255 1
261 . 1 1 122 122 ALA H H 1 9.83224 0 . . . . . . . 122 ALA H . 19255 1
262 . 1 1 122 122 ALA N N 15 129.02456 0 . . . . . . . 122 ALA N . 19255 1
263 . 1 1 123 123 GLY H H 1 9.05948 0 . . . . . . . 123 GLY H . 19255 1
264 . 1 1 123 123 GLY N N 15 111.86906 0 . . . . . . . 123 GLY N . 19255 1
265 . 1 1 124 124 SER H H 1 8.07658 0 . . . . . . . 124 SER H . 19255 1
266 . 1 1 124 124 SER N N 15 115.03589 0 . . . . . . . 124 SER N . 19255 1
267 . 1 1 125 125 LEU H H 1 8.24843 0 . . . . . . . 125 LEU H . 19255 1
268 . 1 1 125 125 LEU N N 15 123.97913 0 . . . . . . . 125 LEU N . 19255 1
269 . 1 1 126 126 ILE H H 1 9.07937 0 . . . . . . . 126 ILE H . 19255 1
270 . 1 1 126 126 ILE N N 15 119.64020 0 . . . . . . . 126 ILE N . 19255 1
271 . 1 1 127 127 ALA H H 1 7.71383 0 . . . . . . . 127 ALA H . 19255 1
272 . 1 1 127 127 ALA N N 15 120.28178 0 . . . . . . . 127 ALA N . 19255 1
273 . 1 1 128 128 VAL H H 1 8.54795 0 . . . . . . . 128 VAL H . 19255 1
274 . 1 1 128 128 VAL N N 15 119.18673 0 . . . . . . . 128 VAL N . 19255 1
275 . 1 1 129 129 LEU H H 1 9.41155 0 . . . . . . . 129 LEU H . 19255 1
276 . 1 1 129 129 LEU N N 15 128.61247 0 . . . . . . . 129 LEU N . 19255 1
277 . 1 1 130 130 ILE H H 1 9.07419 0 . . . . . . . 130 ILE H . 19255 1
278 . 1 1 130 130 ILE N N 15 121.84137 0 . . . . . . . 130 ILE N . 19255 1
279 . 1 1 131 131 LEU H H 1 9.36227 0 . . . . . . . 131 LEU H . 19255 1
280 . 1 1 131 131 LEU N N 15 134.72223 0 . . . . . . . 131 LEU N . 19255 1
281 . 1 1 132 132 ARG H H 1 9.05250 0 . . . . . . . 132 ARG H . 19255 1
282 . 1 1 132 132 ARG HE H 1 8.57562 0 . . . . . . . 132 ARG HE . 19255 1
283 . 1 1 132 132 ARG N N 15 130.08930 0 . . . . . . . 132 ARG N . 19255 1
284 . 1 1 132 132 ARG NE N 15 86.43757 0 . . . . . . . 132 ARG NE . 19255 1
285 . 1 1 133 133 GLN H H 1 9.46054 0 . . . . . . . 133 GLN H . 19255 1
286 . 1 1 133 133 GLN HE21 H 1 6.07695 0 . . . . . . . 133 GLN HE21 . 19255 1
287 . 1 1 133 133 GLN HE22 H 1 6.96268 0 . . . . . . . 133 GLN HE22 . 19255 1
288 . 1 1 133 133 GLN N N 15 132.87027 0 . . . . . . . 133 GLN N . 19255 1
289 . 1 1 133 133 GLN NE2 N 15 110.21830 0 . . . . . . . 133 GLN NE2 . 19255 1
290 . 1 1 134 134 THR H H 1 8.88185 0 . . . . . . . 134 THR H . 19255 1
291 . 1 1 134 134 THR N N 15 117.90172 0 . . . . . . . 134 THR N . 19255 1
292 . 1 1 135 135 ASN H H 1 9.76333 0 . . . . . . . 135 ASN H . 19255 1
293 . 1 1 135 135 ASN HD21 H 1 7.65051 0 . . . . . . . 135 ASN HD21 . 19255 1
294 . 1 1 135 135 ASN HD22 H 1 7.77677 0 . . . . . . . 135 ASN HD22 . 19255 1
295 . 1 1 135 135 ASN N N 15 117.68470 0 . . . . . . . 135 ASN N . 19255 1
296 . 1 1 135 135 ASN ND2 N 15 116.81314 0 . . . . . . . 135 ASN ND2 . 19255 1
297 . 1 1 136 136 ASN H H 1 8.32100 0 . . . . . . . 136 ASN H . 19255 1
298 . 1 1 136 136 ASN HD21 H 1 7.16831 0 . . . . . . . 136 ASN HD21 . 19255 1
299 . 1 1 136 136 ASN HD22 H 1 7.76391 0 . . . . . . . 136 ASN HD22 . 19255 1
300 . 1 1 136 136 ASN N N 15 115.96942 0 . . . . . . . 136 ASN N . 19255 1
301 . 1 1 136 136 ASN ND2 N 15 112.54896 0 . . . . . . . 136 ASN ND2 . 19255 1
302 . 1 1 137 137 TYR H H 1 9.16133 0 . . . . . . . 137 TYR H . 19255 1
303 . 1 1 137 137 TYR N N 15 123.00450 0 . . . . . . . 137 TYR N . 19255 1
304 . 1 1 138 138 ASN H H 1 9.44239 0 . . . . . . . 138 ASN H . 19255 1
305 . 1 1 138 138 ASN HD21 H 1 6.97154 0 . . . . . . . 138 ASN HD21 . 19255 1
306 . 1 1 138 138 ASN HD22 H 1 7.71952 0 . . . . . . . 138 ASN HD22 . 19255 1
307 . 1 1 138 138 ASN N N 15 121.65048 0 . . . . . . . 138 ASN N . 19255 1
308 . 1 1 138 138 ASN ND2 N 15 111.25276 0 . . . . . . . 138 ASN ND2 . 19255 1
309 . 1 1 139 139 SER H H 1 7.85187 0 . . . . . . . 139 SER H . 19255 1
310 . 1 1 139 139 SER N N 15 111.79638 0 . . . . . . . 139 SER N . 19255 1
311 . 1 1 140 140 ASP H H 1 7.73834 0 . . . . . . . 140 ASP H . 19255 1
312 . 1 1 140 140 ASP N N 15 124.29157 0 . . . . . . . 140 ASP N . 19255 1
313 . 1 1 141 141 ASP H H 1 6.63185 0 . . . . . . . 141 ASP H . 19255 1
314 . 1 1 141 141 ASP N N 15 121.75488 0 . . . . . . . 141 ASP N . 19255 1
315 . 1 1 142 142 PHE H H 1 8.99704 0 . . . . . . . 142 PHE H . 19255 1
316 . 1 1 142 142 PHE N N 15 123.37396 0 . . . . . . . 142 PHE N . 19255 1
317 . 1 1 143 143 GLN H H 1 8.81555 0 . . . . . . . 143 GLN H . 19255 1
318 . 1 1 143 143 GLN HE21 H 1 6.60492 0 . . . . . . . 143 GLN HE21 . 19255 1
319 . 1 1 143 143 GLN HE22 H 1 7.75412 0 . . . . . . . 143 GLN HE22 . 19255 1
320 . 1 1 143 143 GLN N N 15 118.15389 0 . . . . . . . 143 GLN N . 19255 1
321 . 1 1 143 143 GLN NE2 N 15 112.30259 0 . . . . . . . 143 GLN NE2 . 19255 1
322 . 1 1 144 144 PHE H H 1 9.93641 0 . . . . . . . 144 PHE H . 19255 1
323 . 1 1 144 144 PHE N N 15 127.37878 0 . . . . . . . 144 PHE N . 19255 1
324 . 1 1 145 145 VAL H H 1 8.78337 0 . . . . . . . 145 VAL H . 19255 1
325 . 1 1 145 145 VAL N N 15 125.30404 0 . . . . . . . 145 VAL N . 19255 1
326 . 1 1 146 146 TRP H H 1 8.77936 0 . . . . . . . 146 TRP H . 19255 1
327 . 1 1 146 146 TRP HE1 H 1 7.08843 0 . . . . . . . 146 TRP HE1 . 19255 1
328 . 1 1 146 146 TRP N N 15 126.81029 0 . . . . . . . 146 TRP N . 19255 1
329 . 1 1 146 146 TRP NE1 N 15 122.69595 0 . . . . . . . 146 TRP NE1 . 19255 1
330 . 1 1 147 147 ASN H H 1 9.01233 0 . . . . . . . 147 ASN H . 19255 1
331 . 1 1 147 147 ASN HD21 H 1 6.30259 0 . . . . . . . 147 ASN HD21 . 19255 1
332 . 1 1 147 147 ASN HD22 H 1 6.67607 0 . . . . . . . 147 ASN HD22 . 19255 1
333 . 1 1 147 147 ASN N N 15 125.00531 0 . . . . . . . 147 ASN N . 19255 1
334 . 1 1 147 147 ASN ND2 N 15 110.64197 0 . . . . . . . 147 ASN ND2 . 19255 1
335 . 1 1 148 148 ILE H H 1 9.23452 0 . . . . . . . 148 ILE H . 19255 1
336 . 1 1 148 148 ILE N N 15 124.60849 0 . . . . . . . 148 ILE N . 19255 1
337 . 1 1 149 149 TYR H H 1 9.31919 0 . . . . . . . 149 TYR H . 19255 1
338 . 1 1 149 149 TYR N N 15 127.29395 0 . . . . . . . 149 TYR N . 19255 1
339 . 1 1 150 150 ALA H H 1 8.57627 0 . . . . . . . 150 ALA H . 19255 1
340 . 1 1 150 150 ALA N N 15 122.38619 0 . . . . . . . 150 ALA N . 19255 1
341 . 1 1 151 151 ASN H H 1 9.13364 0 . . . . . . . 151 ASN H . 19255 1
342 . 1 1 151 151 ASN HD21 H 1 6.55451 0 . . . . . . . 151 ASN HD21 . 19255 1
343 . 1 1 151 151 ASN HD22 H 1 7.40247 0 . . . . . . . 151 ASN HD22 . 19255 1
344 . 1 1 151 151 ASN N N 15 120.11389 0 . . . . . . . 151 ASN N . 19255 1
345 . 1 1 151 151 ASN ND2 N 15 109.44680 0 . . . . . . . 151 ASN ND2 . 19255 1
346 . 1 1 152 152 ASN H H 1 7.39191 0 . . . . . . . 152 ASN H . 19255 1
347 . 1 1 152 152 ASN HD21 H 1 7.17088 0 . . . . . . . 152 ASN HD21 . 19255 1
348 . 1 1 152 152 ASN HD22 H 1 7.24360 0 . . . . . . . 152 ASN HD22 . 19255 1
349 . 1 1 152 152 ASN N N 15 110.95367 0 . . . . . . . 152 ASN N . 19255 1
350 . 1 1 152 152 ASN ND2 N 15 114.96764 0 . . . . . . . 152 ASN ND2 . 19255 1
351 . 1 1 153 153 ASP H H 1 8.47456 0 . . . . . . . 153 ASP H . 19255 1
352 . 1 1 153 153 ASP N N 15 117.20144 0 . . . . . . . 153 ASP N . 19255 1
353 . 1 1 154 154 VAL H H 1 8.83282 0 . . . . . . . 154 VAL H . 19255 1
354 . 1 1 154 154 VAL N N 15 121.20513 0 . . . . . . . 154 VAL N . 19255 1
355 . 1 1 155 155 VAL H H 1 8.70919 0 . . . . . . . 155 VAL H . 19255 1
356 . 1 1 155 155 VAL N N 15 128.33778 0 . . . . . . . 155 VAL N . 19255 1
357 . 1 1 156 156 VAL H H 1 8.49982 0 . . . . . . . 156 VAL H . 19255 1
358 . 1 1 156 156 VAL N N 15 126.99049 0 . . . . . . . 156 VAL N . 19255 1
359 . 1 1 158 158 THR H H 1 7.64647 0 . . . . . . . 158 THR H . 19255 1
360 . 1 1 158 158 THR N N 15 118.89152 0 . . . . . . . 158 THR N . 19255 1
stop_
save_