###################################
# 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_ORF57+REF_303k
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode ORF57+REF_303k
_Assigned_chem_shift_list.Entry_ID 7435
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $shift_ref
_Assigned_chem_shift_list.Chem_shift_1H_err 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.10
_Assigned_chem_shift_list.Chem_shift_15N_err 0.10
_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 'The file contains assignments for ORF57 8-120 bound to REF 54-155 at 303k'
_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' . . . 7435 1
2 '3D 1H-15N NOESY' . . . 7435 1
3 '3D 1H-15N TOCSY' . . . 7435 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
1 $SPARKY . . 7435 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 . 2 2 5 5 THR H H 1 8.253 0.020 . 1 . . . . -2 THR H . 7435 1
2 . 2 2 5 5 THR N N 15 114.703 0.100 . 1 . . . . -2 THR N . 7435 1
3 . 2 2 6 6 GLY H H 1 8.475 0.020 . 1 . . . . -1 GLY H . 7435 1
4 . 2 2 6 6 GLY N N 15 111.392 0.100 . 1 . . . . -1 GLY N . 7435 1
5 . 2 2 7 7 GLY H H 1 8.344 0.020 . 1 . . . . 0 GLY H . 7435 1
6 . 2 2 7 7 GLY N N 15 108.749 0.100 . 1 . . . . 0 GLY N . 7435 1
7 . 2 2 8 8 GLN H H 1 8.335 0.020 . 1 . . . . 1 GLN H . 7435 1
8 . 2 2 8 8 GLN N N 15 119.886 0.100 . 1 . . . . 1 GLN N . 7435 1
9 . 2 2 9 9 GLN H H 1 8.53 0.020 . 1 . . . . 2 GLN H . 7435 1
10 . 2 2 9 9 GLN N N 15 121.520 0.100 . 1 . . . . 2 GLN N . 7435 1
11 . 2 2 10 10 MET H H 1 8.459 0.020 . 1 . . . . 3 MET H . 7435 1
12 . 2 2 10 10 MET N N 15 121.768 0.100 . 1 . . . . 3 MET N . 7435 1
13 . 2 2 11 11 GLY H H 1 8.462 0.020 . 1 . . . . 4 GLY H . 7435 1
14 . 2 2 11 11 GLY N N 15 110.223 0.100 . 1 . . . . 4 GLY N . 7435 1
15 . 2 2 12 12 ARG H H 1 8.129 0.020 . 1 . . . . 5 ARG H . 7435 1
16 . 2 2 12 12 ARG N N 15 120.342 0.100 . 1 . . . . 5 ARG N . 7435 1
17 . 2 2 13 13 ASP H H 1 8.461 0.020 . 1 . . . . 6 ASP H . 7435 1
18 . 2 2 13 13 ASP N N 15 123.825 0.100 . 1 . . . . 6 ASP N . 7435 1
19 . 2 2 15 15 GLY H H 1 8.594 0.020 . 1 . . . . 8 GLY H . 7435 1
20 . 2 2 15 15 GLY N N 15 108.565 0.100 . 1 . . . . 8 GLY N . 7435 1
21 . 2 2 16 16 ILE H H 1 7.821 0.020 . 1 . . . . 9 ILE H . 7435 1
22 . 2 2 16 16 ILE N N 15 119.643 0.100 . 1 . . . . 9 ILE N . 7435 1
23 . 2 2 17 17 SER H H 1 8.453 0.020 . 1 . . . . 10 SER H . 7435 1
24 . 2 2 17 17 SER N N 15 120.084 0.100 . 1 . . . . 10 SER N . 7435 1
25 . 2 2 18 18 SER H H 1 8.463 0.020 . 1 . . . . 11 SER H . 7435 1
26 . 2 2 18 18 SER N N 15 118.261 0.100 . 1 . . . . 11 SER N . 7435 1
27 . 2 2 19 19 ASP H H 1 8.422 0.020 . 1 . . . . 12 ASP H . 7435 1
28 . 2 2 19 19 ASP N N 15 122.485 0.100 . 1 . . . . 12 ASP N . 7435 1
29 . 2 2 20 20 ASP H H 1 8.187 0.020 . 1 . . . . 13 ASP H . 7435 1
30 . 2 2 20 20 ASP N N 15 120.090 0.100 . 1 . . . . 13 ASP N . 7435 1
31 . 2 2 21 21 ASP H H 1 8.177 0.020 . 1 . . . . 14 ASP H . 7435 1
32 . 2 2 21 21 ASP N N 15 120.312 0.100 . 1 . . . . 14 ASP N . 7435 1
33 . 2 2 22 22 PHE H H 1 8.091 0.020 . 1 . . . . 15 PHE H . 7435 1
34 . 2 2 22 22 PHE N N 15 120.498 0.100 . 1 . . . . 15 PHE N . 7435 1
35 . 2 2 23 23 ASP H H 1 8.327 0.020 . 1 . . . . 16 ASP H . 7435 1
36 . 2 2 23 23 ASP N N 15 122.320 0.100 . 1 . . . . 16 ASP N . 7435 1
37 . 2 2 24 24 SER H H 1 8.257 0.020 . 1 . . . . 17 SER H . 7435 1
38 . 2 2 24 24 SER N N 15 117.207 0.100 . 1 . . . . 17 SER N . 7435 1
39 . 2 2 25 25 SER H H 1 8.435 0.020 . 1 . . . . 18 SER H . 7435 1
40 . 2 2 25 25 SER N N 15 118.130 0.100 . 1 . . . . 18 SER N . 7435 1
41 . 2 2 26 26 ASP H H 1 8.358 0.020 . 1 . . . . 19 ASP H . 7435 1
42 . 2 2 26 26 ASP N N 15 122.355 0.100 . 1 . . . . 19 ASP N . 7435 1
43 . 2 2 27 27 SER H H 1 8.291 0.020 . 1 . . . . 20 SER H . 7435 1
44 . 2 2 27 27 SER N N 15 116.489 0.100 . 1 . . . . 20 SER N . 7435 1
45 . 2 2 28 28 SER H H 1 8.449 0.020 . 1 . . . . 21 SER H . 7435 1
46 . 2 2 28 28 SER N N 15 118.191 0.100 . 1 . . . . 21 SER N . 7435 1
47 . 2 2 29 29 SER H H 1 8.394 0.020 . 1 . . . . 22 SER H . 7435 1
48 . 2 2 29 29 SER N N 15 117.780 0.100 . 1 . . . . 22 SER N . 7435 1
49 . 2 2 30 30 ASP H H 1 8.387 0.020 . 1 . . . . 23 ASP H . 7435 1
50 . 2 2 30 30 ASP N N 15 122.640 0.100 . 1 . . . . 23 ASP N . 7435 1
51 . 2 2 31 31 GLU H H 1 8.317 0.020 . 1 . . . . 24 GLU H . 7435 1
52 . 2 2 31 31 GLU N N 15 120.797 0.100 . 1 . . . . 24 GLU N . 7435 1
53 . 2 2 32 32 GLU H H 1 8.397 0.020 . 1 . . . . 25 GLU H . 7435 1
54 . 2 2 32 32 GLU N N 15 121.813 0.100 . 1 . . . . 25 GLU N . 7435 1
55 . 2 2 33 33 GLU H H 1 8.477 0.020 . 1 . . . . 26 GLU H . 7435 1
56 . 2 2 33 33 GLU N N 15 122.355 0.100 . 1 . . . . 26 GLU N . 7435 1
57 . 2 2 34 34 SER H H 1 8.381 0.020 . 1 . . . . 27 SER H . 7435 1
58 . 2 2 34 34 SER N N 15 117.046 0.100 . 1 . . . . 27 SER N . 7435 1
59 . 2 2 35 35 ASP H H 1 8.425 0.020 . 1 . . . . 28 ASP H . 7435 1
60 . 2 2 35 35 ASP N N 15 122.489 0.100 . 1 . . . . 28 ASP N . 7435 1
61 . 2 2 36 36 THR H H 1 8.14 0.020 . 1 . . . . 29 THR H . 7435 1
62 . 2 2 36 36 THR N N 15 113.778 0.100 . 1 . . . . 29 THR N . 7435 1
63 . 2 2 37 37 SER H H 1 8.323 0.020 . 1 . . . . 30 SER H . 7435 1
64 . 2 2 37 37 SER N N 15 119.810 0.100 . 1 . . . . 30 SER N . 7435 1
65 . 2 2 39 39 GLN H H 1 8.446 0.020 . 1 . . . . 32 GLN H . 7435 1
66 . 2 2 39 39 GLN N N 15 120.381 0.100 . 1 . . . . 32 GLN N . 7435 1
67 . 2 2 40 40 ILE H H 1 8.117 0.020 . 1 . . . . 33 ILE H . 7435 1
68 . 2 2 40 40 ILE N N 15 122.025 0.100 . 1 . . . . 33 ILE N . 7435 1
69 . 2 2 41 41 MET H H 1 8.439 0.020 . 1 . . . . 34 MET H . 7435 1
70 . 2 2 41 41 MET N N 15 124.625 0.100 . 1 . . . . 34 MET N . 7435 1
71 . 2 2 42 42 LYS H H 1 8.364 0.020 . 1 . . . . 35 LYS H . 7435 1
72 . 2 2 42 42 LYS N N 15 123.335 0.100 . 1 . . . . 35 LYS N . 7435 1
73 . 2 2 43 43 SER H H 1 8.352 0.020 . 1 . . . . 36 SER H . 7435 1
74 . 2 2 43 43 SER N N 15 116.981 0.100 . 1 . . . . 36 SER N . 7435 1
75 . 2 2 44 44 ASP H H 1 8.499 0.020 . 1 . . . . 37 ASP H . 7435 1
76 . 2 2 44 44 ASP N N 15 122.633 0.100 . 1 . . . . 37 ASP N . 7435 1
77 . 2 2 45 45 VAL H H 1 8.093 0.020 . 1 . . . . 38 VAL H . 7435 1
78 . 2 2 45 45 VAL N N 15 119.627 0.100 . 1 . . . . 38 VAL N . 7435 1
79 . 2 2 46 46 THR H H 1 8.28 0.020 . 1 . . . . 39 THR H . 7435 1
80 . 2 2 46 46 THR N N 15 117.522 0.100 . 1 . . . . 39 THR N . 7435 1
81 . 2 2 47 47 MET H H 1 8.285 0.020 . 1 . . . . 40 MET H . 7435 1
82 . 2 2 47 47 MET N N 15 122.877 0.100 . 1 . . . . 40 MET N . 7435 1
83 . 2 2 48 48 ALA H H 1 8.274 0.020 . 1 . . . . 41 ALA H . 7435 1
84 . 2 2 48 48 ALA N N 15 125.471 0.100 . 1 . . . . 41 ALA N . 7435 1
85 . 2 2 49 49 SER H H 1 8.275 0.020 . 1 . . . . 42 SER H . 7435 1
86 . 2 2 49 49 SER N N 15 116.721 0.100 . 1 . . . . 42 SER N . 7435 1
87 . 2 2 52 52 SER H H 1 8.431 0.020 . 1 . . . . 45 SER H . 7435 1
88 . 2 2 52 52 SER N N 15 116.210 0.100 . 1 . . . . 45 SER N . 7435 1
89 . 2 2 53 53 THR H H 1 8.18 0.020 . 1 . . . . 46 THR H . 7435 1
90 . 2 2 53 53 THR N N 15 118.046 0.100 . 1 . . . . 46 THR N . 7435 1
91 . 2 2 55 55 GLU H H 1 8.46 0.020 . 1 . . . . 48 GLU H . 7435 1
92 . 2 2 55 55 GLU N N 15 122.747 0.100 . 1 . . . . 48 GLU N . 7435 1
93 . 2 2 57 57 SER H H 1 8.459 0.020 . 1 . . . . 50 SER H . 7435 1
94 . 2 2 57 57 SER N N 15 117.630 0.100 . 1 . . . . 50 SER N . 7435 1
95 . 2 2 59 59 ASP H H 1 8.364 0.020 . 1 . . . . 52 ASP H . 7435 1
96 . 2 2 59 59 ASP N N 15 119.990 0.100 . 1 . . . . 52 ASP N . 7435 1
97 . 2 2 60 60 VAL H H 1 8.067 0.020 . 1 . . . . 53 VAL H . 7435 1
98 . 2 2 60 60 VAL N N 15 120.280 0.100 . 1 . . . . 53 VAL N . 7435 1
99 . 2 2 61 61 SER H H 1 8.384 0.020 . 1 . . . . 54 SER H . 7435 1
100 . 2 2 61 61 SER N N 15 118.803 0.100 . 1 . . . . 54 SER N . 7435 1
101 . 2 2 62 62 ALA H H 1 8.279 0.020 . 1 . . . . 55 ALA H . 7435 1
102 . 2 2 62 62 ALA N N 15 125.752 0.100 . 1 . . . . 55 ALA N . 7435 1
103 . 2 2 63 63 SER H H 1 8.273 0.020 . 1 . . . . 56 SER H . 7435 1
104 . 2 2 63 63 SER N N 15 114.493 0.100 . 1 . . . . 56 SER N . 7435 1
105 . 2 2 64 64 THR H H 1 8.139 0.020 . 1 . . . . 57 THR H . 7435 1
106 . 2 2 64 64 THR N N 15 115.217 0.100 . 1 . . . . 57 THR N . 7435 1
107 . 2 2 65 65 SER H H 1 8.267 0.020 . 1 . . . . 58 SER H . 7435 1
108 . 2 2 65 65 SER N N 15 117.625 0.100 . 1 . . . . 58 SER N . 7435 1
109 . 2 2 66 66 ASN H H 1 8.447 0.020 . 1 . . . . 59 ASN H . 7435 1
110 . 2 2 66 66 ASN N N 15 120.750 0.100 . 1 . . . . 59 ASN N . 7435 1
111 . 2 2 67 67 LEU H H 1 8.077 0.020 . 1 . . . . 60 LEU H . 7435 1
112 . 2 2 67 67 LEU N N 15 121.889 0.100 . 1 . . . . 60 LEU N . 7435 1
113 . 2 2 68 68 LYS H H 1 8.22 0.020 . 1 . . . . 61 LYS H . 7435 1
114 . 2 2 68 68 LYS N N 15 121.477 0.100 . 1 . . . . 61 LYS N . 7435 1
115 . 2 2 69 69 ARG H H 1 8.223 0.020 . 1 . . . . 62 ARG H . 7435 1
116 . 2 2 69 69 ARG N N 15 121.778 0.100 . 1 . . . . 62 ARG N . 7435 1
117 . 2 2 70 70 GLU H H 1 8.381 0.020 . 1 . . . . 63 GLU H . 7435 1
118 . 2 2 70 70 GLU N N 15 121.324 0.100 . 1 . . . . 63 GLU N . 7435 1
119 . 2 2 71 71 ARG H H 1 8.4 0.020 . 1 . . . . 64 ARG H . 7435 1
120 . 2 2 71 71 ARG N N 15 122.534 0.100 . 1 . . . . 64 ARG N . 7435 1
121 . 2 2 72 72 GLN H H 1 8.448 0.020 . 1 . . . . 65 GLN H . 7435 1
122 . 2 2 72 72 GLN N N 15 121.767 0.100 . 1 . . . . 65 GLN N . 7435 1
123 . 2 2 73 73 ARG H H 1 8.366 0.020 . 1 . . . . 66 ARG H . 7435 1
124 . 2 2 73 73 ARG N N 15 121.710 0.100 . 1 . . . . 66 ARG N . 7435 1
125 . 2 2 74 74 SER H H 1 8.347 0.020 . 1 . . . . 67 SER H . 7435 1
126 . 2 2 74 74 SER N N 15 116.119 0.100 . 1 . . . . 67 SER N . 7435 1
127 . 2 2 76 76 ILE H H 1 8.14 0.020 . 1 . . . . 69 ILE H . 7435 1
128 . 2 2 76 76 ILE N N 15 120.489 0.100 . 1 . . . . 69 ILE N . 7435 1
129 . 2 2 77 77 THR H H 1 7.978 0.020 . 1 . . . . 70 THR H . 7435 1
130 . 2 2 77 77 THR N N 15 117.238 0.100 . 1 . . . . 70 THR N . 7435 1
131 . 2 2 78 78 TRP H H 1 8.076 0.020 . 1 . . . . 71 TRP H . 7435 1
132 . 2 2 78 78 TRP N N 15 122.932 0.100 . 1 . . . . 71 TRP N . 7435 1
133 . 2 2 79 79 GLU H H 1 8.308 0.020 . 1 . . . . 72 GLU H . 7435 1
134 . 2 2 79 79 GLU N N 15 121.831 0.100 . 1 . . . . 72 GLU N . 7435 1
135 . 2 2 80 80 HIS H H 1 8.371 0.020 . 1 . . . . 73 HIS H . 7435 1
136 . 2 2 80 80 HIS N N 15 118.751 0.100 . 1 . . . . 73 HIS N . 7435 1
137 . 2 2 81 81 GLN H H 1 8.191 0.020 . 1 . . . . 74 GLN H . 7435 1
138 . 2 2 81 81 GLN N N 15 121.931 0.100 . 1 . . . . 74 GLN N . 7435 1
139 . 2 2 85 85 SER H H 1 8.075 0.020 . 1 . . . . 78 SER H . 7435 1
140 . 2 2 85 85 SER N N 15 115.643 0.100 . 1 . . . . 78 SER N . 7435 1
141 . 2 2 86 86 ARG H H 1 8.223 0.020 . 1 . . . . 79 ARG H . 7435 1
142 . 2 2 86 86 ARG N N 15 122.684 0.100 . 1 . . . . 79 ARG N . 7435 1
143 . 2 2 87 87 VAL H H 1 7.958 0.020 . 1 . . . . 80 VAL H . 7435 1
144 . 2 2 87 87 VAL N N 15 120.175 0.100 . 1 . . . . 80 VAL N . 7435 1
145 . 2 2 88 88 TYR H H 1 8.266 0.020 . 1 . . . . 81 TYR H . 7435 1
146 . 2 2 88 88 TYR N N 15 124.336 0.100 . 1 . . . . 81 TYR N . 7435 1
147 . 2 2 89 89 ARG H H 1 8.088 0.020 . 1 . . . . 82 ARG H . 7435 1
148 . 2 2 89 89 ARG N N 15 123.720 0.100 . 1 . . . . 82 ARG N . 7435 1
149 . 2 2 90 90 SER H H 1 8.316 0.020 . 1 . . . . 83 SER H . 7435 1
150 . 2 2 90 90 SER N N 15 118.902 0.100 . 1 . . . . 83 SER N . 7435 1
151 . 2 2 92 92 SER H H 1 8.465 0.020 . 1 . . . . 85 SER H . 7435 1
152 . 2 2 92 92 SER N N 15 118.608 0.100 . 1 . . . . 85 SER N . 7435 1
153 . 2 2 94 94 MET H H 1 8.328 0.020 . 1 . . . . 87 MET H . 7435 1
154 . 2 2 94 94 MET N N 15 120.019 0.100 . 1 . . . . 87 MET N . 7435 1
155 . 2 2 95 95 ARG H H 1 8.185 0.020 . 1 . . . . 88 ARG H . 7435 1
156 . 2 2 95 95 ARG N N 15 120.743 0.100 . 1 . . . . 88 ARG N . 7435 1
157 . 2 2 96 96 PHE H H 1 8.269 0.020 . 1 . . . . 89 PHE H . 7435 1
158 . 2 2 96 96 PHE N N 15 120.682 0.100 . 1 . . . . 89 PHE N . 7435 1
159 . 2 2 97 97 GLY H H 1 8.334 0.020 . 1 . . . . 90 GLY H . 7435 1
160 . 2 2 97 97 GLY N N 15 109.949 0.100 . 1 . . . . 90 GLY N . 7435 1
161 . 2 2 98 98 LYS H H 1 8.18 0.020 . 1 . . . . 91 LYS H . 7435 1
162 . 2 2 98 98 LYS N N 15 120.811 0.100 . 1 . . . . 91 LYS N . 7435 1
163 . 2 2 99 99 ARG H H 1 8.461 0.020 . 1 . . . . 92 ARG H . 7435 1
164 . 2 2 99 99 ARG N N 15 123.835 0.100 . 1 . . . . 92 ARG N . 7435 1
165 . 2 2 101 101 ARG H H 1 8.476 0.020 . 1 . . . . 94 ARG H . 7435 1
166 . 2 2 101 101 ARG N N 15 121.856 0.100 . 1 . . . . 94 ARG N . 7435 1
167 . 2 2 102 102 ILE H H 1 8.239 0.020 . 1 . . . . 95 ILE H . 7435 1
168 . 2 2 102 102 ILE N N 15 122.395 0.100 . 1 . . . . 95 ILE N . 7435 1
169 . 2 2 103 103 SER H H 1 8.461 0.020 . 1 . . . . 96 SER H . 7435 1
170 . 2 2 103 103 SER N N 15 120.138 0.100 . 1 . . . . 96 SER N . 7435 1
171 . 2 2 104 104 SER H H 1 8.376 0.020 . 1 . . . . 97 SER H . 7435 1
172 . 2 2 104 104 SER N N 15 118.508 0.100 . 1 . . . . 97 SER N . 7435 1
173 . 2 2 105 105 ASN H H 1 8.492 0.020 . 1 . . . . 98 ASN H . 7435 1
174 . 2 2 105 105 ASN N N 15 120.627 0.100 . 1 . . . . 98 ASN N . 7435 1
175 . 2 2 106 106 SER H H 1 8.362 0.020 . 1 . . . . 99 SER H . 7435 1
176 . 2 2 106 106 SER N N 15 116.494 0.100 . 1 . . . . 99 SER N . 7435 1
177 . 2 2 107 107 THR H H 1 8.243 0.020 . 1 . . . . 100 THR H . 7435 1
178 . 2 2 107 107 THR N N 15 115.532 0.100 . 1 . . . . 100 THR N . 7435 1
179 . 2 2 108 108 SER H H 1 8.312 0.020 . 1 . . . . 101 SER H . 7435 1
180 . 2 2 108 108 SER N N 15 118.076 0.100 . 1 . . . . 101 SER N . 7435 1
181 . 2 2 109 109 ARG H H 1 8.391 0.020 . 1 . . . . 102 ARG H . 7435 1
182 . 2 2 109 109 ARG N N 15 122.971 0.100 . 1 . . . . 102 ARG N . 7435 1
183 . 2 2 110 110 SER H H 1 8.383 0.020 . 1 . . . . 103 SER H . 7435 1
184 . 2 2 110 110 SER N N 15 117.419 0.100 . 1 . . . . 103 SER N . 7435 1
185 . 2 2 111 111 CYS H H 1 8.366 0.020 . 1 . . . . 104 CYS H . 7435 1
186 . 2 2 111 111 CYS N N 15 120.944 0.100 . 1 . . . . 104 CYS N . 7435 1
187 . 2 2 113 113 THR H H 1 8.18 0.020 . 1 . . . . 106 THR H . 7435 1
188 . 2 2 113 113 THR N N 15 116.632 0.100 . 1 . . . . 106 THR N . 7435 1
189 . 2 2 116 116 ALA H H 1 8.164 0.020 . 1 . . . . 109 ALA H . 7435 1
190 . 2 2 116 116 ALA N N 15 122.370 0.100 . 1 . . . . 109 ALA N . 7435 1
191 . 2 2 117 117 ASP H H 1 7.8 0.020 . 1 . . . . 110 ASP H . 7435 1
192 . 2 2 117 117 ASP N N 15 117.273 0.100 . 1 . . . . 110 ASP N . 7435 1
193 . 2 2 119 119 VAL H H 1 8.065 0.020 . 1 . . . . 112 VAL H . 7435 1
194 . 2 2 119 119 VAL N N 15 120.005 0.100 . 1 . . . . 112 VAL N . 7435 1
195 . 2 2 120 120 ARG H H 1 7.872 0.020 . 1 . . . . 113 ARG H . 7435 1
196 . 2 2 120 120 ARG N N 15 120.921 0.100 . 1 . . . . 113 ARG N . 7435 1
197 . 2 2 121 121 GLU H H 1 8.282 0.020 . 1 . . . . 114 GLU H . 7435 1
198 . 2 2 121 121 GLU N N 15 121.057 0.100 . 1 . . . . 114 GLU N . 7435 1
199 . 2 2 122 122 ALA H H 1 8.066 0.020 . 1 . . . . 115 ALA H . 7435 1
200 . 2 2 122 122 ALA N N 15 123.492 0.100 . 1 . . . . 115 ALA N . 7435 1
201 . 2 2 124 124 ALA H H 1 7.981 0.020 . 1 . . . . 117 ALA H . 7435 1
202 . 2 2 124 124 ALA N N 15 121.741 0.100 . 1 . . . . 117 ALA N . 7435 1
203 . 2 2 125 125 GLN H H 1 8.073 0.020 . 1 . . . . 118 GLN H . 7435 1
204 . 2 2 125 125 GLN N N 15 117.334 0.100 . 1 . . . . 118 GLN N . 7435 1
205 . 2 2 126 126 ARG H H 1 7.867 0.020 . 1 . . . . 119 ARG H . 7435 1
206 . 2 2 126 126 ARG N N 15 119.491 0.100 . 1 . . . . 119 ARG N . 7435 1
207 . 2 2 129 129 GLU H H 1 8.019 0.020 . 1 . . . . 122 GLU H . 7435 1
208 . 2 2 129 129 GLU N N 15 120.349 0.100 . 1 . . . . 122 GLU N . 7435 1
stop_
save_