###################################
# 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 27025
_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
;
The reported chemical shift assignment is numbered according to "Baronti_et_al.".
All assigned chemical shifts of Ascl1 fragments deposited start from the first
biologically relevant aminoacid and do not take into account the artificial tag
at the N-terminus (see "Baronti_et_al.").
;
_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 '3D BEST-TROSY HCNs' . . . 27025 1
2 '3D BEST-TROSY HNNs' . . . 27025 1
3 HADAMAC . . . 27025 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 $CCPNMR . . 27025 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 10 10 GLN C C 13 175.7 . . 1 . . . . 114 GLN C . 27025 1
2 . 1 1 10 10 GLN CA C 13 56.5 . . 1 . . . . 114 GLN CA . 27025 1
3 . 1 1 10 10 GLN CB C 13 29.6 . . 1 . . . . 114 GLN CB . 27025 1
4 . 1 1 11 11 GLN H H 1 8.15 . . 1 . . . . 115 GLN H . 27025 1
5 . 1 1 11 11 GLN C C 13 175.4 . . 1 . . . . 115 GLN C . 27025 1
6 . 1 1 11 11 GLN CA C 13 56.2 . . 1 . . . . 115 GLN CA . 27025 1
7 . 1 1 11 11 GLN CB C 13 29.7 . . 1 . . . . 115 GLN CB . 27025 1
8 . 1 1 11 11 GLN N N 15 120.2 . . 1 . . . . 115 GLN N . 27025 1
9 . 1 1 12 12 GLN H H 1 8.18 . . 1 . . . . 116 GLN H . 27025 1
10 . 1 1 12 12 GLN C C 13 174.1 . . 1 . . . . 116 GLN C . 27025 1
11 . 1 1 12 12 GLN CA C 13 54 . . 1 . . . . 116 GLN CA . 27025 1
12 . 1 1 12 12 GLN CB C 13 29.2 . . 1 . . . . 116 GLN CB . 27025 1
13 . 1 1 12 12 GLN N N 15 121.5 . . 1 . . . . 116 GLN N . 27025 1
14 . 1 1 13 13 PRO C C 13 177 . . 1 . . . . 117 PRO C . 27025 1
15 . 1 1 13 13 PRO CA C 13 64 . . 1 . . . . 117 PRO CA . 27025 1
16 . 1 1 13 13 PRO CB C 13 32.1 . . 1 . . . . 117 PRO CB . 27025 1
17 . 1 1 14 14 ALA H H 1 8.23 . . 1 . . . . 118 ALA H . 27025 1
18 . 1 1 14 14 ALA C C 13 177.9 . . 1 . . . . 118 ALA C . 27025 1
19 . 1 1 14 14 ALA CA C 13 53.5 . . 1 . . . . 118 ALA CA . 27025 1
20 . 1 1 14 14 ALA CB C 13 19.2 . . 1 . . . . 118 ALA CB . 27025 1
21 . 1 1 14 14 ALA N N 15 123.3 . . 1 . . . . 118 ALA N . 27025 1
22 . 1 1 15 15 ALA H H 1 7.91 . . 1 . . . . 119 ALA H . 27025 1
23 . 1 1 15 15 ALA C C 13 178.2 . . 1 . . . . 119 ALA C . 27025 1
24 . 1 1 15 15 ALA CA C 13 53.7 . . 1 . . . . 119 ALA CA . 27025 1
25 . 1 1 15 15 ALA CB C 13 19.3 . . 1 . . . . 119 ALA CB . 27025 1
26 . 1 1 15 15 ALA N N 15 121.1 . . 1 . . . . 119 ALA N . 27025 1
27 . 1 1 16 16 VAL H H 1 7.54 . . 1 . . . . 120 VAL H . 27025 1
28 . 1 1 16 16 VAL C C 13 176.2 . . 1 . . . . 120 VAL C . 27025 1
29 . 1 1 16 16 VAL CA C 13 63.3 . . 1 . . . . 120 VAL CA . 27025 1
30 . 1 1 16 16 VAL CB C 13 32.5 . . 1 . . . . 120 VAL CB . 27025 1
31 . 1 1 16 16 VAL N N 15 116.8 . . 1 . . . . 120 VAL N . 27025 1
32 . 1 1 17 17 ALA H H 1 7.81 . . 1 . . . . 121 ALA H . 27025 1
33 . 1 1 17 17 ALA C C 13 178.1 . . 1 . . . . 121 ALA C . 27025 1
34 . 1 1 17 17 ALA CA C 13 53.3 . . 1 . . . . 121 ALA CA . 27025 1
35 . 1 1 17 17 ALA CB C 13 19.3 . . 1 . . . . 121 ALA CB . 27025 1
36 . 1 1 17 17 ALA N N 15 124.8 . . 1 . . . . 121 ALA N . 27025 1
37 . 1 1 18 18 ARG H H 1 7.84 . . 1 . . . . 122 ARG H . 27025 1
38 . 1 1 18 18 ARG C C 13 177.1 . . 1 . . . . 122 ARG C . 27025 1
39 . 1 1 18 18 ARG CA C 13 56.9 . . 1 . . . . 122 ARG CA . 27025 1
40 . 1 1 18 18 ARG CB C 13 30.6 . . 1 . . . . 122 ARG CB . 27025 1
41 . 1 1 18 18 ARG N N 15 118.1 . . 1 . . . . 122 ARG N . 27025 1
42 . 1 1 19 19 ARG H H 1 7.91 . . 1 . . . . 123 ARG H . 27025 1
43 . 1 1 19 19 ARG C C 13 176.7 . . 1 . . . . 123 ARG C . 27025 1
44 . 1 1 19 19 ARG CA C 13 57.5 . . 1 . . . . 123 ARG CA . 27025 1
45 . 1 1 19 19 ARG CB C 13 30.5 . . 1 . . . . 123 ARG CB . 27025 1
46 . 1 1 19 19 ARG N N 15 120 . . 1 . . . . 123 ARG N . 27025 1
47 . 1 1 20 20 ASN H H 1 8.08 . . 1 . . . . 124 ASN H . 27025 1
48 . 1 1 20 20 ASN C C 13 175.4 . . 1 . . . . 124 ASN C . 27025 1
49 . 1 1 20 20 ASN CA C 13 54.1 . . 1 . . . . 124 ASN CA . 27025 1
50 . 1 1 20 20 ASN CB C 13 39.3 . . 1 . . . . 124 ASN CB . 27025 1
51 . 1 1 20 20 ASN N N 15 117.9 . . 1 . . . . 124 ASN N . 27025 1
52 . 1 1 21 21 GLU H H 1 8.05 . . 1 . . . . 125 GLU H . 27025 1
53 . 1 1 21 21 GLU C C 13 176.1 . . 1 . . . . 125 GLU C . 27025 1
54 . 1 1 21 21 GLU CA C 13 56.8 . . 1 . . . . 125 GLU CA . 27025 1
55 . 1 1 21 21 GLU CB C 13 29.9 . . 1 . . . . 125 GLU CB . 27025 1
56 . 1 1 21 21 GLU N N 15 119.7 . . 1 . . . . 125 GLU N . 27025 1
57 . 1 1 22 22 ARG H H 1 7.79 . . 1 . . . . 126 ARG H . 27025 1
58 . 1 1 22 22 ARG C C 13 176 . . 1 . . . . 126 ARG C . 27025 1
59 . 1 1 22 22 ARG CA C 13 56.2 . . 1 . . . . 126 ARG CA . 27025 1
60 . 1 1 22 22 ARG CB C 13 31.2 . . 1 . . . . 126 ARG CB . 27025 1
61 . 1 1 22 22 ARG N N 15 120.9 . . 1 . . . . 126 ARG N . 27025 1
62 . 1 1 23 23 GLU H H 1 8.3 . . 1 . . . . 127 GLU H . 27025 1
63 . 1 1 23 23 GLU C C 13 176.3 . . 1 . . . . 127 GLU C . 27025 1
64 . 1 1 23 23 GLU CA C 13 56.8 . . 1 . . . . 127 GLU CA . 27025 1
65 . 1 1 23 23 GLU CB C 13 30.2 . . 1 . . . . 127 GLU CB . 27025 1
66 . 1 1 23 23 GLU N N 15 122.5 . . 1 . . . . 127 GLU N . 27025 1
67 . 1 1 24 24 ARG H H 1 8.12 . . 1 . . . . 128 ARG H . 27025 1
68 . 1 1 24 24 ARG C C 13 176 . . 1 . . . . 128 ARG C . 27025 1
69 . 1 1 24 24 ARG CA C 13 56.1 . . 1 . . . . 128 ARG CA . 27025 1
70 . 1 1 24 24 ARG CB C 13 30.6 . . 1 . . . . 128 ARG CB . 27025 1
71 . 1 1 24 24 ARG N N 15 121.7 . . 1 . . . . 128 ARG N . 27025 1
72 . 1 1 25 25 ASN H H 1 8.26 . . 1 . . . . 129 ASN H . 27025 1
73 . 1 1 25 25 ASN C C 13 175.3 . . 1 . . . . 129 ASN C . 27025 1
74 . 1 1 25 25 ASN CA C 13 53.8 . . 1 . . . . 129 ASN CA . 27025 1
75 . 1 1 25 25 ASN CB C 13 39.2 . . 1 . . . . 129 ASN CB . 27025 1
76 . 1 1 25 25 ASN N N 15 119.9 . . 1 . . . . 129 ASN N . 27025 1
77 . 1 1 26 26 ARG H H 1 8.06 . . 1 . . . . 130 ARG H . 27025 1
78 . 1 1 26 26 ARG C C 13 176.6 . . 1 . . . . 130 ARG C . 27025 1
79 . 1 1 26 26 ARG CA C 13 57.5 . . 1 . . . . 130 ARG CA . 27025 1
80 . 1 1 26 26 ARG CB C 13 30.7 . . 1 . . . . 130 ARG CB . 27025 1
81 . 1 1 26 26 ARG N N 15 120.9 . . 1 . . . . 130 ARG N . 27025 1
82 . 1 1 27 27 VAL H H 1 7.75 . . 1 . . . . 131 VAL H . 27025 1
83 . 1 1 27 27 VAL C C 13 175.8 . . 1 . . . . 131 VAL C . 27025 1
84 . 1 1 27 27 VAL CA C 13 63.6 . . 1 . . . . 131 VAL CA . 27025 1
85 . 1 1 27 27 VAL CB C 13 32.4 . . 1 . . . . 131 VAL CB . 27025 1
86 . 1 1 27 27 VAL N N 15 119.4 . . 1 . . . . 131 VAL N . 27025 1
87 . 1 1 28 28 LYS H H 1 7.8 . . 1 . . . . 132 LYS H . 27025 1
88 . 1 1 28 28 LYS C C 13 177.4 . . 1 . . . . 132 LYS C . 27025 1
89 . 1 1 28 28 LYS CA C 13 57 . . 1 . . . . 132 LYS CA . 27025 1
90 . 1 1 28 28 LYS CB C 13 32.8 . . 1 . . . . 132 LYS CB . 27025 1
91 . 1 1 28 28 LYS N N 15 122 . . 1 . . . . 132 LYS N . 27025 1
92 . 1 1 29 29 LEU H H 1 8.01 . . 1 . . . . 133 LEU H . 27025 1
93 . 1 1 29 29 LEU C C 13 178 . . 1 . . . . 133 LEU C . 27025 1
94 . 1 1 29 29 LEU CA C 13 57.2 . . 1 . . . . 133 LEU CA . 27025 1
95 . 1 1 29 29 LEU CB C 13 42.2 . . 1 . . . . 133 LEU CB . 27025 1
96 . 1 1 29 29 LEU N N 15 121.7 . . 1 . . . . 133 LEU N . 27025 1
97 . 1 1 30 30 VAL H H 1 7.65 . . 1 . . . . 134 VAL H . 27025 1
98 . 1 1 30 30 VAL C C 13 176.3 . . 1 . . . . 134 VAL C . 27025 1
99 . 1 1 30 30 VAL CA C 13 64.1 . . 1 . . . . 134 VAL CA . 27025 1
100 . 1 1 30 30 VAL CB C 13 32.1 . . 1 . . . . 134 VAL CB . 27025 1
101 . 1 1 30 30 VAL N N 15 115.4 . . 1 . . . . 134 VAL N . 27025 1
102 . 1 1 31 31 ASN H H 1 7.88 . . 1 . . . . 135 ASN H . 27025 1
103 . 1 1 31 31 ASN C C 13 176.1 . . 1 . . . . 135 ASN C . 27025 1
104 . 1 1 31 31 ASN CA C 13 54.7 . . 1 . . . . 135 ASN CA . 27025 1
105 . 1 1 31 31 ASN CB C 13 39 . . 1 . . . . 135 ASN CB . 27025 1
106 . 1 1 31 31 ASN N N 15 118.9 . . 1 . . . . 135 ASN N . 27025 1
107 . 1 1 32 32 LEU H H 1 7.76 . . 1 . . . . 136 LEU H . 27025 1
108 . 1 1 32 32 LEU C C 13 178 . . 1 . . . . 136 LEU C . 27025 1
109 . 1 1 32 32 LEU CA C 13 56.5 . . 1 . . . . 136 LEU CA . 27025 1
110 . 1 1 32 32 LEU CB C 13 42.6 . . 1 . . . . 136 LEU CB . 27025 1
111 . 1 1 32 32 LEU N N 15 121.2 . . 1 . . . . 136 LEU N . 27025 1
112 . 1 1 33 33 GLY H H 1 8.04 . . 1 . . . . 137 GLY H . 27025 1
113 . 1 1 33 33 GLY C C 13 174.6 . . 1 . . . . 137 GLY C . 27025 1
114 . 1 1 33 33 GLY CA C 13 46.4 . . 1 . . . . 137 GLY CA . 27025 1
115 . 1 1 33 33 GLY N N 15 107.8 . . 1 . . . . 137 GLY N . 27025 1
116 . 1 1 34 34 PHE H H 1 8.21 . . 1 . . . . 138 PHE H . 27025 1
117 . 1 1 34 34 PHE C C 13 176.9 . . 1 . . . . 138 PHE C . 27025 1
118 . 1 1 34 34 PHE CA C 13 60.5 . . 1 . . . . 138 PHE CA . 27025 1
119 . 1 1 34 34 PHE CB C 13 39.1 . . 1 . . . . 138 PHE CB . 27025 1
120 . 1 1 34 34 PHE N N 15 120.9 . . 1 . . . . 138 PHE N . 27025 1
121 . 1 1 35 35 ALA H H 1 8.27 . . 1 . . . . 139 ALA H . 27025 1
122 . 1 1 35 35 ALA C C 13 179.7 . . 1 . . . . 139 ALA C . 27025 1
123 . 1 1 35 35 ALA CA C 13 55.2 . . 1 . . . . 139 ALA CA . 27025 1
124 . 1 1 35 35 ALA CB C 13 18.6 . . 1 . . . . 139 ALA CB . 27025 1
125 . 1 1 35 35 ALA N N 15 121.2 . . 1 . . . . 139 ALA N . 27025 1
126 . 1 1 36 36 THR H H 1 7.76 . . 1 . . . . 140 THR H . 27025 1
127 . 1 1 36 36 THR C C 13 176.7 . . 1 . . . . 140 THR C . 27025 1
128 . 1 1 36 36 THR CA C 13 65.2 . . 1 . . . . 140 THR CA . 27025 1
129 . 1 1 36 36 THR CB C 13 69 . . 1 . . . . 140 THR CB . 27025 1
130 . 1 1 36 36 THR N N 15 112.9 . . 1 . . . . 140 THR N . 27025 1
131 . 1 1 37 37 LEU H H 1 7.86 . . 1 . . . . 141 LEU H . 27025 1
132 . 1 1 37 37 LEU C C 13 178.6 . . 1 . . . . 141 LEU C . 27025 1
133 . 1 1 37 37 LEU CA C 13 58.5 . . 1 . . . . 141 LEU CA . 27025 1
134 . 1 1 37 37 LEU CB C 13 42 . . 1 . . . . 141 LEU CB . 27025 1
135 . 1 1 37 37 LEU N N 15 122.8 . . 1 . . . . 141 LEU N . 27025 1
136 . 1 1 38 38 ARG H H 1 8.04 . . 1 . . . . 142 ARG H . 27025 1
137 . 1 1 38 38 ARG C C 13 177.7 . . 1 . . . . 142 ARG C . 27025 1
138 . 1 1 38 38 ARG CA C 13 59.1 . . 1 . . . . 142 ARG CA . 27025 1
139 . 1 1 38 38 ARG CB C 13 30 . . 1 . . . . 142 ARG CB . 27025 1
140 . 1 1 38 38 ARG N N 15 116.9 . . 1 . . . . 142 ARG N . 27025 1
141 . 1 1 39 39 GLU H H 1 7.55 . . 1 . . . . 143 GLU H . 27025 1
142 . 1 1 39 39 GLU C C 13 176.9 . . 1 . . . . 143 GLU C . 27025 1
143 . 1 1 39 39 GLU CA C 13 57.6 . . 1 . . . . 143 GLU CA . 27025 1
144 . 1 1 39 39 GLU CB C 13 29.7 . . 1 . . . . 143 GLU CB . 27025 1
145 . 1 1 39 39 GLU N N 15 116.5 . . 1 . . . . 143 GLU N . 27025 1
146 . 1 1 40 40 HIS H H 1 7.81 . . 1 . . . . 144 HIS H . 27025 1
147 . 1 1 40 40 HIS C C 13 173.6 . . 1 . . . . 144 HIS C . 27025 1
148 . 1 1 40 40 HIS CA C 13 56.1 . . 1 . . . . 144 HIS CA . 27025 1
149 . 1 1 40 40 HIS CB C 13 29.7 . . 1 . . . . 144 HIS CB . 27025 1
150 . 1 1 40 40 HIS N N 15 115.9 . . 1 . . . . 144 HIS N . 27025 1
151 . 1 1 41 41 VAL H H 1 7.44 . . 1 . . . . 145 VAL H . 27025 1
152 . 1 1 41 41 VAL C C 13 174.4 . . 1 . . . . 145 VAL C . 27025 1
153 . 1 1 41 41 VAL CA C 13 61 . . 1 . . . . 145 VAL CA . 27025 1
154 . 1 1 41 41 VAL CB C 13 32.5 . . 1 . . . . 145 VAL CB . 27025 1
155 . 1 1 41 41 VAL N N 15 120.5 . . 1 . . . . 145 VAL N . 27025 1
156 . 1 1 42 42 PRO C C 13 176.6 . . 1 . . . . 146 PRO C . 27025 1
157 . 1 1 42 42 PRO CA C 13 63.6 . . 1 . . . . 146 PRO CA . 27025 1
158 . 1 1 42 42 PRO CB C 13 32.1 . . 1 . . . . 146 PRO CB . 27025 1
159 . 1 1 43 43 ASN H H 1 8.27 . . 1 . . . . 147 ASN H . 27025 1
160 . 1 1 43 43 ASN C C 13 176.3 . . 1 . . . . 147 ASN C . 27025 1
161 . 1 1 43 43 ASN CA C 13 54.1 . . 1 . . . . 147 ASN CA . 27025 1
162 . 1 1 43 43 ASN CB C 13 39.3 . . 1 . . . . 147 ASN CB . 27025 1
163 . 1 1 43 43 ASN N N 15 118.7 . . 1 . . . . 147 ASN N . 27025 1
164 . 1 1 44 44 GLY H H 1 8.24 . . 1 . . . . 148 GLY H . 27025 1
165 . 1 1 44 44 GLY C C 13 174.5 . . 1 . . . . 148 GLY C . 27025 1
166 . 1 1 44 44 GLY CA C 13 46.1 . . 1 . . . . 148 GLY CA . 27025 1
167 . 1 1 44 44 GLY N N 15 109.6 . . 1 . . . . 148 GLY N . 27025 1
168 . 1 1 45 45 ALA H H 1 7.92 . . 1 . . . . 149 ALA H . 27025 1
169 . 1 1 45 45 ALA C C 13 177.8 . . 1 . . . . 149 ALA C . 27025 1
170 . 1 1 45 45 ALA CA C 13 53.6 . . 1 . . . . 149 ALA CA . 27025 1
171 . 1 1 45 45 ALA CB C 13 19.3 . . 1 . . . . 149 ALA CB . 27025 1
172 . 1 1 45 45 ALA N N 15 123.3 . . 1 . . . . 149 ALA N . 27025 1
173 . 1 1 46 46 ALA H H 1 7.98 . . 1 . . . . 150 ALA H . 27025 1
174 . 1 1 46 46 ALA C C 13 177.9 . . 1 . . . . 150 ALA C . 27025 1
175 . 1 1 46 46 ALA CA C 13 53.6 . . 1 . . . . 150 ALA CA . 27025 1
176 . 1 1 46 46 ALA CB C 13 19 . . 1 . . . . 150 ALA CB . 27025 1
177 . 1 1 46 46 ALA N N 15 120.7 . . 1 . . . . 150 ALA N . 27025 1
178 . 1 1 47 47 ASN H H 1 7.98 . . 1 . . . . 151 ASN H . 27025 1
179 . 1 1 47 47 ASN C C 13 175.5 . . 1 . . . . 151 ASN C . 27025 1
180 . 1 1 47 47 ASN CA C 13 53.9 . . 1 . . . . 151 ASN CA . 27025 1
181 . 1 1 47 47 ASN CB C 13 39.1 . . 1 . . . . 151 ASN CB . 27025 1
182 . 1 1 47 47 ASN N N 15 116.4 . . 1 . . . . 151 ASN N . 27025 1
183 . 1 1 48 48 LYS H H 1 7.88 . . 1 . . . . 152 LYS H . 27025 1
184 . 1 1 48 48 LYS C C 13 176.7 . . 1 . . . . 152 LYS C . 27025 1
185 . 1 1 48 48 LYS CA C 13 56.8 . . 1 . . . . 152 LYS CA . 27025 1
186 . 1 1 48 48 LYS CB C 13 32.8 . . 1 . . . . 152 LYS CB . 27025 1
187 . 1 1 48 48 LYS N N 15 120.3 . . 1 . . . . 152 LYS N . 27025 1
188 . 1 1 49 49 LYS H H 1 8.04 . . 1 . . . . 153 LYS H . 27025 1
189 . 1 1 49 49 LYS C C 13 176.9 . . 1 . . . . 153 LYS C . 27025 1
190 . 1 1 49 49 LYS CA C 13 57.1 . . 1 . . . . 153 LYS CA . 27025 1
191 . 1 1 49 49 LYS CB C 13 32.8 . . 1 . . . . 153 LYS CB . 27025 1
192 . 1 1 49 49 LYS N N 15 121 . . 1 . . . . 153 LYS N . 27025 1
193 . 1 1 50 50 MET H H 1 8.1 . . 1 . . . . 154 MET H . 27025 1
194 . 1 1 50 50 MET C C 13 176.8 . . 1 . . . . 154 MET C . 27025 1
195 . 1 1 50 50 MET CA C 13 56.3 . . 1 . . . . 154 MET CA . 27025 1
196 . 1 1 50 50 MET CB C 13 33 . . 1 . . . . 154 MET CB . 27025 1
197 . 1 1 50 50 MET N N 15 119.5 . . 1 . . . . 154 MET N . 27025 1
198 . 1 1 51 51 SER H H 1 8.13 . . 1 . . . . 155 SER H . 27025 1
199 . 1 1 51 51 SER C C 13 176.1 . . 1 . . . . 155 SER C . 27025 1
200 . 1 1 51 51 SER CA C 13 59.6 . . 1 . . . . 155 SER CA . 27025 1
201 . 1 1 51 51 SER CB C 13 63.8 . . 1 . . . . 155 SER CB . 27025 1
202 . 1 1 51 51 SER N N 15 116.2 . . 1 . . . . 155 SER N . 27025 1
203 . 1 1 52 52 LYS H H 1 8.23 . . 1 . . . . 156 LYS H . 27025 1
204 . 1 1 52 52 LYS C C 13 177.9 . . 1 . . . . 156 LYS C . 27025 1
205 . 1 1 52 52 LYS CA C 13 58.8 . . 1 . . . . 156 LYS CA . 27025 1
206 . 1 1 52 52 LYS CB C 13 32.5 . . 1 . . . . 156 LYS CB . 27025 1
207 . 1 1 52 52 LYS N N 15 122.4 . . 1 . . . . 156 LYS N . 27025 1
208 . 1 1 53 53 VAL H H 1 7.72 . . 1 . . . . 157 VAL H . 27025 1
209 . 1 1 53 53 VAL C C 13 177.2 . . 1 . . . . 157 VAL C . 27025 1
210 . 1 1 53 53 VAL CA C 13 65.9 . . 1 . . . . 157 VAL CA . 27025 1
211 . 1 1 53 53 VAL CB C 13 31.7 . . 1 . . . . 157 VAL CB . 27025 1
212 . 1 1 53 53 VAL N N 15 118.3 . . 1 . . . . 157 VAL N . 27025 1
213 . 1 1 54 54 GLU H H 1 7.99 . . 1 . . . . 158 GLU H . 27025 1
214 . 1 1 54 54 GLU C C 13 179.1 . . 1 . . . . 158 GLU C . 27025 1
215 . 1 1 54 54 GLU CA C 13 59.4 . . 1 . . . . 158 GLU CA . 27025 1
216 . 1 1 54 54 GLU CB C 13 29.4 . . 1 . . . . 158 GLU CB . 27025 1
217 . 1 1 54 54 GLU N N 15 120.4 . . 1 . . . . 158 GLU N . 27025 1
218 . 1 1 55 55 THR H H 1 7.89 . . 1 . . . . 159 THR H . 27025 1
219 . 1 1 55 55 THR C C 13 176 . . 1 . . . . 159 THR C . 27025 1
220 . 1 1 55 55 THR CA C 13 66.3 . . 1 . . . . 159 THR CA . 27025 1
221 . 1 1 55 55 THR CB C 13 69 . . 1 . . . . 159 THR CB . 27025 1
222 . 1 1 55 55 THR N N 15 117.2 . . 1 . . . . 159 THR N . 27025 1
223 . 1 1 56 56 LEU H H 1 7.9 . . 1 . . . . 160 LEU H . 27025 1
224 . 1 1 56 56 LEU C C 13 178.2 . . 1 . . . . 160 LEU C . 27025 1
225 . 1 1 56 56 LEU CA C 13 58.1 . . 1 . . . . 160 LEU CA . 27025 1
226 . 1 1 56 56 LEU CB C 13 41.7 . . 1 . . . . 160 LEU CB . 27025 1
227 . 1 1 56 56 LEU N N 15 122.1 . . 1 . . . . 160 LEU N . 27025 1
228 . 1 1 57 57 ARG H H 1 8.24 . . 1 . . . . 161 ARG H . 27025 1
229 . 1 1 57 57 ARG C C 13 178.9 . . 1 . . . . 161 ARG C . 27025 1
230 . 1 1 57 57 ARG CA C 13 59.8 . . 1 . . . . 161 ARG CA . 27025 1
231 . 1 1 57 57 ARG CB C 13 30 . . 1 . . . . 161 ARG CB . 27025 1
232 . 1 1 57 57 ARG N N 15 118 . . 1 . . . . 161 ARG N . 27025 1
233 . 1 1 58 58 SER H H 1 8.04 . . 1 . . . . 162 SER H . 27025 1
234 . 1 1 58 58 SER C C 13 176 . . 1 . . . . 162 SER C . 27025 1
235 . 1 1 58 58 SER CA C 13 61.6 . . 1 . . . . 162 SER CA . 27025 1
236 . 1 1 58 58 SER CB C 13 63.2 . . 1 . . . . 162 SER CB . 27025 1
237 . 1 1 58 58 SER N N 15 115.5 . . 1 . . . . 162 SER N . 27025 1
238 . 1 1 59 59 ALA H H 1 8.13 . . 1 . . . . 163 ALA H . 27025 1
239 . 1 1 59 59 ALA C C 13 179 . . 1 . . . . 163 ALA C . 27025 1
240 . 1 1 59 59 ALA CA C 13 55.5 . . 1 . . . . 163 ALA CA . 27025 1
241 . 1 1 59 59 ALA CB C 13 18.4 . . 1 . . . . 163 ALA CB . 27025 1
242 . 1 1 59 59 ALA N N 15 124.5 . . 1 . . . . 163 ALA N . 27025 1
243 . 1 1 60 60 VAL H H 1 7.97 . . 1 . . . . 164 VAL H . 27025 1
244 . 1 1 60 60 VAL C C 13 177.6 . . 1 . . . . 164 VAL C . 27025 1
245 . 1 1 60 60 VAL CA C 13 66.9 . . 1 . . . . 164 VAL CA . 27025 1
246 . 1 1 60 60 VAL CB C 13 31.8 . . 1 . . . . 164 VAL CB . 27025 1
247 . 1 1 60 60 VAL N N 15 116.9 . . 1 . . . . 164 VAL N . 27025 1
248 . 1 1 61 61 GLU H H 1 7.86 . . 1 . . . . 165 GLU H . 27025 1
249 . 1 1 61 61 GLU C C 13 179.6 . . 1 . . . . 165 GLU C . 27025 1
250 . 1 1 61 61 GLU CA C 13 59.5 . . 1 . . . . 165 GLU CA . 27025 1
251 . 1 1 61 61 GLU CB C 13 29 . . 1 . . . . 165 GLU CB . 27025 1
252 . 1 1 61 61 GLU N N 15 119.1 . . 1 . . . . 165 GLU N . 27025 1
253 . 1 1 62 62 TYR H H 1 7.94 . . 1 . . . . 166 TYR H . 27025 1
254 . 1 1 62 62 TYR C C 13 177.9 . . 1 . . . . 166 TYR C . 27025 1
255 . 1 1 62 62 TYR CA C 13 61.6 . . 1 . . . . 166 TYR CA . 27025 1
256 . 1 1 62 62 TYR CB C 13 38.4 . . 1 . . . . 166 TYR CB . 27025 1
257 . 1 1 62 62 TYR N N 15 120.1 . . 1 . . . . 166 TYR N . 27025 1
258 . 1 1 63 63 ILE H H 1 8.13 . . 1 . . . . 167 ILE H . 27025 1
259 . 1 1 63 63 ILE C C 13 178.1 . . 1 . . . . 167 ILE C . 27025 1
260 . 1 1 63 63 ILE CA C 13 65 . . 1 . . . . 167 ILE CA . 27025 1
261 . 1 1 63 63 ILE CB C 13 37.4 . . 1 . . . . 167 ILE CB . 27025 1
262 . 1 1 63 63 ILE N N 15 120.1 . . 1 . . . . 167 ILE N . 27025 1
263 . 1 1 64 64 ARG H H 1 8.37 . . 1 . . . . 168 ARG H . 27025 1
264 . 1 1 64 64 ARG C C 13 179.2 . . 1 . . . . 168 ARG C . 27025 1
265 . 1 1 64 64 ARG CA C 13 59.5 . . 1 . . . . 168 ARG CA . 27025 1
266 . 1 1 64 64 ARG CB C 13 29.9 . . 1 . . . . 168 ARG CB . 27025 1
267 . 1 1 64 64 ARG N N 15 119.6 . . 1 . . . . 168 ARG N . 27025 1
268 . 1 1 65 65 ALA H H 1 7.83 . . 1 . . . . 169 ALA H . 27025 1
269 . 1 1 65 65 ALA C C 13 180.4 . . 1 . . . . 169 ALA C . 27025 1
270 . 1 1 65 65 ALA CA C 13 55.1 . . 1 . . . . 169 ALA CA . 27025 1
271 . 1 1 65 65 ALA CB C 13 18.2 . . 1 . . . . 169 ALA CB . 27025 1
272 . 1 1 65 65 ALA N N 15 122.4 . . 1 . . . . 169 ALA N . 27025 1
273 . 1 1 66 66 LEU H H 1 8.01 . . 1 . . . . 170 LEU H . 27025 1
274 . 1 1 66 66 LEU C C 13 178.6 . . 1 . . . . 170 LEU C . 27025 1
275 . 1 1 66 66 LEU CA C 13 57.8 . . 1 . . . . 170 LEU CA . 27025 1
276 . 1 1 66 66 LEU CB C 13 41.9 . . 1 . . . . 170 LEU CB . 27025 1
277 . 1 1 66 66 LEU N N 15 120.8 . . 1 . . . . 170 LEU N . 27025 1
278 . 1 1 67 67 GLN H H 1 8.28 . . 1 . . . . 171 GLN H . 27025 1
279 . 1 1 67 67 GLN C C 13 178.2 . . 1 . . . . 171 GLN C . 27025 1
280 . 1 1 67 67 GLN CA C 13 59.5 . . 1 . . . . 171 GLN CA . 27025 1
281 . 1 1 67 67 GLN CB C 13 28.8 . . 1 . . . . 171 GLN CB . 27025 1
282 . 1 1 67 67 GLN N N 15 117.9 . . 1 . . . . 171 GLN N . 27025 1
283 . 1 1 68 68 GLN H H 1 7.72 . . 1 . . . . 172 GLN H . 27025 1
284 . 1 1 68 68 GLN C C 13 178 . . 1 . . . . 172 GLN C . 27025 1
285 . 1 1 68 68 GLN CA C 13 58.5 . . 1 . . . . 172 GLN CA . 27025 1
286 . 1 1 68 68 GLN CB C 13 28.6 . . 1 . . . . 172 GLN CB . 27025 1
287 . 1 1 68 68 GLN N N 15 117.6 . . 1 . . . . 172 GLN N . 27025 1
288 . 1 1 69 69 LEU H H 1 7.78 . . 1 . . . . 173 LEU H . 27025 1
289 . 1 1 69 69 LEU C C 13 179.2 . . 1 . . . . 173 LEU C . 27025 1
290 . 1 1 69 69 LEU CA C 13 57.6 . . 1 . . . . 173 LEU CA . 27025 1
291 . 1 1 69 69 LEU CB C 13 42.5 . . 1 . . . . 173 LEU CB . 27025 1
292 . 1 1 69 69 LEU N N 15 120.9 . . 1 . . . . 173 LEU N . 27025 1
293 . 1 1 70 70 LEU H H 1 7.93 . . 1 . . . . 174 LEU H . 27025 1
294 . 1 1 70 70 LEU C C 13 178.5 . . 1 . . . . 174 LEU C . 27025 1
295 . 1 1 70 70 LEU CA C 13 56.8 . . 1 . . . . 174 LEU CA . 27025 1
296 . 1 1 70 70 LEU CB C 13 41.8 . . 1 . . . . 174 LEU CB . 27025 1
297 . 1 1 70 70 LEU N N 15 119.5 . . 1 . . . . 174 LEU N . 27025 1
298 . 1 1 71 71 ASP H H 1 7.89 . . 1 . . . . 175 ASP H . 27025 1
299 . 1 1 71 71 ASP C C 13 177.3 . . 1 . . . . 175 ASP C . 27025 1
300 . 1 1 71 71 ASP CA C 13 55.7 . . 1 . . . . 175 ASP CA . 27025 1
301 . 1 1 71 71 ASP CB C 13 41.1 . . 1 . . . . 175 ASP CB . 27025 1
302 . 1 1 71 71 ASP N N 15 120 . . 1 . . . . 175 ASP N . 27025 1
303 . 1 1 72 72 GLU H H 1 7.99 . . 1 . . . . 176 GLU H . 27025 1
304 . 1 1 72 72 GLU C C 13 177.1 . . 1 . . . . 176 GLU C . 27025 1
305 . 1 1 72 72 GLU CA C 13 57.4 . . 1 . . . . 176 GLU CA . 27025 1
306 . 1 1 72 72 GLU CB C 13 29.7 . . 1 . . . . 176 GLU CB . 27025 1
307 . 1 1 72 72 GLU N N 15 119.9 . . 1 . . . . 176 GLU N . 27025 1
308 . 1 1 73 73 HIS H H 1 8.1 . . 1 . . . . 177 HIS H . 27025 1
309 . 1 1 73 73 HIS C C 13 174.6 . . 1 . . . . 177 HIS C . 27025 1
310 . 1 1 73 73 HIS CA C 13 56.5 . . 1 . . . . 177 HIS CA . 27025 1
311 . 1 1 73 73 HIS CB C 13 29 . . 1 . . . . 177 HIS CB . 27025 1
312 . 1 1 73 73 HIS N N 15 118.9 . . 1 . . . . 177 HIS N . 27025 1
313 . 1 1 74 74 ASP H H 1 8.21 . . 1 . . . . 178 ASP H . 27025 1
314 . 1 1 74 74 ASP C C 13 175.9 . . 1 . . . . 178 ASP C . 27025 1
315 . 1 1 74 74 ASP CA C 13 54.8 . . 1 . . . . 178 ASP CA . 27025 1
316 . 1 1 74 74 ASP CB C 13 41.2 . . 1 . . . . 178 ASP CB . 27025 1
317 . 1 1 74 74 ASP N N 15 121.3 . . 1 . . . . 178 ASP N . 27025 1
318 . 1 1 75 75 ALA H H 1 8 . . 1 . . . . 179 ALA H . 27025 1
319 . 1 1 75 75 ALA C C 13 178 . . 1 . . . . 179 ALA C . 27025 1
320 . 1 1 75 75 ALA CA C 13 53 . . 1 . . . . 179 ALA CA . 27025 1
321 . 1 1 75 75 ALA CB C 13 19.4 . . 1 . . . . 179 ALA CB . 27025 1
322 . 1 1 75 75 ALA N N 15 124.3 . . 1 . . . . 179 ALA N . 27025 1
323 . 1 1 76 76 VAL H H 1 7.89 . . 1 . . . . 180 VAL H . 27025 1
324 . 1 1 76 76 VAL C C 13 176.4 . . 1 . . . . 180 VAL C . 27025 1
325 . 1 1 76 76 VAL CA C 13 62.7 . . 1 . . . . 180 VAL CA . 27025 1
326 . 1 1 76 76 VAL CB C 13 32.8 . . 1 . . . . 180 VAL CB . 27025 1
327 . 1 1 76 76 VAL N N 15 118.7 . . 1 . . . . 180 VAL N . 27025 1
328 . 1 1 77 77 SER H H 1 8.09 . . 1 . . . . 181 SER H . 27025 1
329 . 1 1 77 77 SER C C 13 174.2 . . 1 . . . . 181 SER C . 27025 1
330 . 1 1 77 77 SER CA C 13 58.4 . . 1 . . . . 181 SER CA . 27025 1
331 . 1 1 77 77 SER CB C 13 64.1 . . 1 . . . . 181 SER CB . 27025 1
332 . 1 1 77 77 SER N N 15 119.1 . . 1 . . . . 181 SER N . 27025 1
333 . 1 1 78 78 ALA H H 1 8.09 . . 1 . . . . 182 ALA H . 27025 1
334 . 1 1 78 78 ALA C C 13 176.3 . . 1 . . . . 182 ALA C . 27025 1
335 . 1 1 78 78 ALA CA C 13 52.5 . . 1 . . . . 182 ALA CA . 27025 1
336 . 1 1 78 78 ALA CB C 13 19.8 . . 1 . . . . 182 ALA CB . 27025 1
337 . 1 1 78 78 ALA N N 15 127.1 . . 1 . . . . 182 ALA N . 27025 1
338 . 1 1 79 79 ALA H H 1 7.74 . . 1 . . . . 183 ALA H . 27025 1
339 . 1 1 79 79 ALA C C 13 182.5 . . 1 . . . . 183 ALA C . 27025 1
340 . 1 1 79 79 ALA CA C 13 53.8 . . 1 . . . . 183 ALA CA . 27025 1
341 . 1 1 79 79 ALA CB C 13 20.3 . . 1 . . . . 183 ALA CB . 27025 1
342 . 1 1 79 79 ALA N N 15 129.2 . . 1 . . . . 183 ALA N . 27025 1
stop_
save_