###################################
# 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 25179
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Set_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/HMQC' 1 $NMR_sample isotropic 25179 1
2 '3D HNCACB' 1 $NMR_sample isotropic 25179 1
3 'HNHA (H[N[ca[HA]]])' 1 $NMR_sample isotropic 25179 1
4 '3D HNCO' 1 $NMR_sample isotropic 25179 1
5 '2D 1H-13C HSQC/HMQC' 2 $NMR_sample_ref isotropic 25179 1
6 '2D 1H-13C HSQC/HMQC' 1 $NMR_sample isotropic 25179 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_Analysis 0 . 25179 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 1 1 SER HA H 1 4.248 0.005 . 1 . 273 . . 1 SER HA . 25179 1
2 . 1 1 1 1 SER HB2 H 1 4.000 0.005 . 2 . 271 . . 1 SER HB2 . 25179 1
3 . 1 1 1 1 SER HB3 H 1 4.051 0.005 . 2 . 272 . . 1 SER HB3 . 25179 1
4 . 1 1 1 1 SER C C 13 170.822 0.02 . 1 . 164 . . 1 SER C . 25179 1
5 . 1 1 1 1 SER CA C 13 57.241 0.006 . 1 . 206 . . 1 SER CA . 25179 1
6 . 1 1 1 1 SER CB C 13 63.194 0.002 . 1 . 207 . . 1 SER CB . 25179 1
7 . 1 1 2 2 LEU H H 1 8.525 0.003 . 1 . 21 . . 2 LEU H . 25179 1
8 . 1 1 2 2 LEU HA H 1 4.454 0.002 . 1 . 221 . . 2 LEU HA . 25179 1
9 . 1 1 2 2 LEU HB2 H 1 1.586 0.005 . 2 . 275 . . 2 LEU HB2 . 25179 1
10 . 1 1 2 2 LEU HB3 H 1 1.733 0.005 . 2 . 276 . . 2 LEU HB3 . 25179 1
11 . 1 1 2 2 LEU C C 13 176.418 0.02 . 1 . 165 . . 2 LEU C . 25179 1
12 . 1 1 2 2 LEU CA C 13 55.615 0.012 . 1 . 153 . . 2 LEU CA . 25179 1
13 . 1 1 2 2 LEU CB C 13 42.479 0.003 . 1 . 208 . . 2 LEU CB . 25179 1
14 . 1 1 2 2 LEU N N 15 123.057 0.011 . 1 . 22 . . 2 LEU N . 25179 1
15 . 1 1 3 3 THR H H 1 7.906 0.003 . 1 . 37 . . 3 THR H . 25179 1
16 . 1 1 3 3 THR HA H 1 4.407 0.005 . 1 . 222 . . 3 THR HA . 25179 1
17 . 1 1 3 3 THR HB H 1 4.285 0.005 . 1 . 274 . . 3 THR HB . 25179 1
18 . 1 1 3 3 THR C C 13 174.610 0.02 . 1 . 166 . . 3 THR C . 25179 1
19 . 1 1 3 3 THR CA C 13 61.475 0.01 . 1 . 154 . . 3 THR CA . 25179 1
20 . 1 1 3 3 THR CB C 13 70.168 0.013 . 1 . 155 . . 3 THR CB . 25179 1
21 . 1 1 3 3 THR N N 15 113.726 0.021 . 1 . 38 . . 3 THR N . 25179 1
22 . 1 1 4 4 LEU H H 1 8.052 0.002 . 1 . 71 . . 4 LEU H . 25179 1
23 . 1 1 4 4 LEU HA H 1 4.268 0.003 . 1 . 223 . . 4 LEU HA . 25179 1
24 . 1 1 4 4 LEU C C 13 177.458 0.02 . 1 . 167 . . 4 LEU C . 25179 1
25 . 1 1 4 4 LEU CA C 13 55.967 0.017 . 1 . 122 . . 4 LEU CA . 25179 1
26 . 1 1 4 4 LEU CB C 13 41.706 0.01 . 1 . 156 . . 4 LEU CB . 25179 1
27 . 1 1 4 4 LEU N N 15 121.424 0.007 . 1 . 72 . . 4 LEU N . 25179 1
28 . 1 1 5 5 ASN H H 1 8.290 0.001 . 1 . 77 . . 5 ASN H . 25179 1
29 . 1 1 5 5 ASN HA H 1 4.558 0.003 . 1 . 224 . . 5 ASN HA . 25179 1
30 . 1 1 5 5 ASN HB2 H 1 2.785 0.005 . 2 . 277 . . 5 ASN HB2 . 25179 1
31 . 1 1 5 5 ASN HB3 H 1 2.824 0.005 . 2 . 278 . . 5 ASN HB3 . 25179 1
32 . 1 1 5 5 ASN C C 13 176.096 0.02 . 1 . 168 . . 5 ASN C . 25179 1
33 . 1 1 5 5 ASN CA C 13 54.892 0.018 . 1 . 124 . . 5 ASN CA . 25179 1
34 . 1 1 5 5 ASN CB C 13 38.137 0.005 . 1 . 123 . . 5 ASN CB . 25179 1
35 . 1 1 5 5 ASN N N 15 118.091 0.01 . 1 . 78 . . 5 ASN N . 25179 1
36 . 1 1 6 6 LEU H H 1 7.973 0.002 . 1 . 79 . . 6 LEU H . 25179 1
37 . 1 1 6 6 LEU HA H 1 4.130 0.001 . 1 . 225 . . 6 LEU HA . 25179 1
38 . 1 1 6 6 LEU HB2 H 1 1.595 0.005 . 2 . 279 . . 6 LEU HB2 . 25179 1
39 . 1 1 6 6 LEU HB3 H 1 1.795 0.005 . 2 . 280 . . 6 LEU HB3 . 25179 1
40 . 1 1 6 6 LEU C C 13 178.046 0.02 . 1 . 169 . . 6 LEU C . 25179 1
41 . 1 1 6 6 LEU CA C 13 57.280 0.012 . 1 . 126 . . 6 LEU CA . 25179 1
42 . 1 1 6 6 LEU CB C 13 42.335 0.012 . 1 . 125 . . 6 LEU CB . 25179 1
43 . 1 1 6 6 LEU N N 15 119.420 0.006 . 1 . 80 . . 6 LEU N . 25179 1
44 . 1 1 7 7 ILE H H 1 7.659 0.002 . 1 . 9 . . 7 ILE H . 25179 1
45 . 1 1 7 7 ILE HA H 1 3.989 0.001 . 1 . 226 . . 7 ILE HA . 25179 1
46 . 1 1 7 7 ILE HB H 1 2.034 0.005 . 1 . 281 . . 7 ILE HB . 25179 1
47 . 1 1 7 7 ILE C C 13 177.407 0.02 . 1 . 170 . . 7 ILE C . 25179 1
48 . 1 1 7 7 ILE CA C 13 62.998 0.019 . 1 . 89 . . 7 ILE CA . 25179 1
49 . 1 1 7 7 ILE CB C 13 37.813 0.005 . 1 . 90 . . 7 ILE CB . 25179 1
50 . 1 1 7 7 ILE N N 15 116.143 0.011 . 1 . 10 . . 7 ILE N . 25179 1
51 . 1 1 8 8 THR H H 1 7.833 0.002 . 1 . 51 . . 8 THR H . 25179 1
52 . 1 1 8 8 THR HA H 1 4.166 0.005 . 1 . 227 . . 8 THR HA . 25179 1
53 . 1 1 8 8 THR HB H 1 4.331 0.005 . 1 . 282 . . 8 THR HB . 25179 1
54 . 1 1 8 8 THR C C 13 176.088 0.02 . 1 . 171 . . 8 THR C . 25179 1
55 . 1 1 8 8 THR CA C 13 63.989 0.022 . 1 . 127 . . 8 THR CA . 25179 1
56 . 1 1 8 8 THR CB C 13 68.942 0.022 . 1 . 128 . . 8 THR CB . 25179 1
57 . 1 1 8 8 THR N N 15 112.899 0.023 . 1 . 52 . . 8 THR N . 25179 1
58 . 1 1 9 9 GLU H H 1 7.927 0.001 . 1 . 27 . . 9 GLU H . 25179 1
59 . 1 1 9 9 GLU HA H 1 4.330 0.004 . 1 . 228 . . 9 GLU HA . 25179 1
60 . 1 1 9 9 GLU HB2 H 1 1.993 0.005 . 2 . 283 . . 9 GLU HB2 . 25179 1
61 . 1 1 9 9 GLU HB3 H 1 2.170 0.005 . 2 . 284 . . 9 GLU HB3 . 25179 1
62 . 1 1 9 9 GLU C C 13 177.207 0.02 . 1 . 172 . . 9 GLU C . 25179 1
63 . 1 1 9 9 GLU CA C 13 56.882 0.033 . 1 . 209 . . 9 GLU CA . 25179 1
64 . 1 1 9 9 GLU CB C 13 29.459 0.011 . 1 . 129 . . 9 GLU CB . 25179 1
65 . 1 1 9 9 GLU N N 15 120.374 0.047 . 1 . 28 . . 9 GLU N . 25179 1
66 . 1 1 10 10 MET H H 1 7.915 0.001 . 1 . 67 . . 10 MET H . 25179 1
67 . 1 1 10 10 MET HA H 1 4.325 0.0 . 1 . 229 . . 10 MET HA . 25179 1
68 . 1 1 10 10 MET HB2 H 1 2.162 0.005 . 1 . 285 . . 10 MET HB2 . 25179 1
69 . 1 1 10 10 MET HB3 H 1 2.162 0.005 . 1 . 286 . . 10 MET HB3 . 25179 1
70 . 1 1 10 10 MET C C 13 177.239 0.02 . 1 . 173 . . 10 MET C . 25179 1
71 . 1 1 10 10 MET CA C 13 56.924 0.004 . 1 . 103 . . 10 MET CA . 25179 1
72 . 1 1 10 10 MET CB C 13 32.707 0.006 . 1 . 210 . . 10 MET CB . 25179 1
73 . 1 1 10 10 MET N N 15 118.452 0.017 . 1 . 68 . . 10 MET N . 25179 1
74 . 1 1 11 11 GLY H H 1 8.105 0.002 . 1 . 5 . . 11 GLY H . 25179 1
75 . 1 1 11 11 GLY HA2 H 1 3.931 0.001 . 2 . 230 . . 11 GLY HA2 . 25179 1
76 . 1 1 11 11 GLY HA3 H 1 4.002 0.0 . 2 . 269 . . 11 GLY HA3 . 25179 1
77 . 1 1 11 11 GLY C C 13 174.140 0.02 . 1 . 174 . . 11 GLY C . 25179 1
78 . 1 1 11 11 GLY CA C 13 45.957 0.003 . 1 . 130 . . 11 GLY CA . 25179 1
79 . 1 1 11 11 GLY N N 15 107.285 0.022 . 1 . 6 . . 11 GLY N . 25179 1
80 . 1 1 12 12 ARG H H 1 7.844 0.001 . 1 . 3 . . 12 ARG H . 25179 1
81 . 1 1 12 12 ARG HA H 1 4.379 0.002 . 1 . 231 . . 12 ARG HA . 25179 1
82 . 1 1 12 12 ARG HB2 H 1 1.795 0.005 . 2 . 287 . . 12 ARG HB2 . 25179 1
83 . 1 1 12 12 ARG HB3 H 1 1.970 0.005 . 2 . 288 . . 12 ARG HB3 . 25179 1
84 . 1 1 12 12 ARG C C 13 176.317 0.02 . 1 . 175 . . 12 ARG C . 25179 1
85 . 1 1 12 12 ARG CA C 13 55.992 0.017 . 1 . 131 . . 12 ARG CA . 25179 1
86 . 1 1 12 12 ARG CB C 13 31.155 0.006 . 1 . 163 . . 12 ARG CB . 25179 1
87 . 1 1 12 12 ARG N N 15 118.059 0.015 . 1 . 4 . . 12 ARG N . 25179 1
88 . 1 1 13 13 LEU H H 1 7.914 0.002 . 1 . 55 . . 13 LEU H . 25179 1
89 . 1 1 13 13 LEU HA H 1 4.403 0.006 . 1 . 232 . . 13 LEU HA . 25179 1
90 . 1 1 13 13 LEU HB2 H 1 1.493 0.005 . 2 . 289 . . 13 LEU HB2 . 25179 1
91 . 1 1 13 13 LEU HB3 H 1 1.776 0.005 . 2 . 290 . . 13 LEU HB3 . 25179 1
92 . 1 1 13 13 LEU CA C 13 54.542 0.069 . 1 . 211 . . 13 LEU CA . 25179 1
93 . 1 1 13 13 LEU CB C 13 41.092 0.002 . 1 . 267 . . 13 LEU CB . 25179 1
94 . 1 1 13 13 LEU N N 15 119.783 0.033 . 1 . 56 . . 13 LEU N . 25179 1
95 . 1 1 14 14 PRO C C 13 177.824 0.02 . 1 . 176 . . 14 PRO C . 25179 1
96 . 1 1 15 15 THR H H 1 8.242 0.003 . 1 . 1 . . 15 THR H . 25179 1
97 . 1 1 15 15 THR HA H 1 4.109 0.005 . 1 . 292 . . 15 THR HA . 25179 1
98 . 1 1 15 15 THR HB H 1 4.210 0.005 . 1 . 291 . . 15 THR HB . 25179 1
99 . 1 1 15 15 THR C C 13 175.996 0.02 . 1 . 338 . . 15 THR C . 25179 1
100 . 1 1 15 15 THR CA C 13 64.831 0.03 . 1 . 212 . . 15 THR CA . 25179 1
101 . 1 1 15 15 THR CB C 13 68.799 0.063 . 1 . 213 . . 15 THR CB . 25179 1
102 . 1 1 15 15 THR N N 15 116.190 0.009 . 1 . 2 . . 15 THR N . 25179 1
103 . 1 1 16 16 PHE H H 1 8.054 0.002 . 1 . 335 . . 16 PHE H . 25179 1
104 . 1 1 16 16 PHE HA H 1 4.516 0.005 . 1 . 334 . . 16 PHE HA . 25179 1
105 . 1 1 16 16 PHE C C 13 176.902 0.02 . 1 . 177 . . 16 PHE C . 25179 1
106 . 1 1 16 16 PHE CA C 13 59.493 0.002 . 1 . 333 . . 16 PHE CA . 25179 1
107 . 1 1 16 16 PHE CB C 13 38.341 0.02 . 1 . 337 . . 16 PHE CB . 25179 1
108 . 1 1 16 16 PHE N N 15 119.022 0.026 . 1 . 336 . . 16 PHE N . 25179 1
109 . 1 1 17 17 MET H H 1 7.535 0.004 . 1 . 159 . . 17 MET H . 25179 1
110 . 1 1 17 17 MET HB2 H 1 1.965 0.005 . 2 . 293 . . 17 MET HB2 . 25179 1
111 . 1 1 17 17 MET HB3 H 1 2.006 0.005 . 2 . 294 . . 17 MET HB3 . 25179 1
112 . 1 1 17 17 MET C C 13 177.152 0.02 . 1 . 178 . . 17 MET C . 25179 1
113 . 1 1 17 17 MET CA C 13 57.515 0.012 . 1 . 162 . . 17 MET CA . 25179 1
114 . 1 1 17 17 MET CB C 13 32.548 0.004 . 1 . 161 . . 17 MET CB . 25179 1
115 . 1 1 17 17 MET N N 15 117.950 0.032 . 1 . 160 . . 17 MET N . 25179 1
116 . 1 1 18 18 THR H H 1 7.810 0.002 . 1 . 63 . . 18 THR H . 25179 1
117 . 1 1 18 18 THR HA H 1 3.946 0.002 . 1 . 233 . . 18 THR HA . 25179 1
118 . 1 1 18 18 THR HB H 1 4.306 0.005 . 1 . 295 . . 18 THR HB . 25179 1
119 . 1 1 18 18 THR C C 13 176.370 0.02 . 1 . 179 . . 18 THR C . 25179 1
120 . 1 1 18 18 THR CA C 13 64.950 0.025 . 1 . 141 . . 18 THR CA . 25179 1
121 . 1 1 18 18 THR CB C 13 68.356 0.035 . 1 . 142 . . 18 THR CB . 25179 1
122 . 1 1 18 18 THR N N 15 111.669 0.025 . 1 . 64 . . 18 THR N . 25179 1
123 . 1 1 19 19 GLN H H 1 8.197 0.002 . 1 . 7 . . 19 GLN H . 25179 1
124 . 1 1 19 19 GLN HA H 1 4.031 0.007 . 1 . 234 . . 19 GLN HA . 25179 1
125 . 1 1 19 19 GLN HB2 H 1 2.090 0.005 . 2 . 296 . . 19 GLN HB2 . 25179 1
126 . 1 1 19 19 GLN HB3 H 1 2.187 0.005 . 2 . 297 . . 19 GLN HB3 . 25179 1
127 . 1 1 19 19 GLN C C 13 177.574 0.02 . 1 . 180 . . 19 GLN C . 25179 1
128 . 1 1 19 19 GLN CA C 13 58.313 0.012 . 1 . 214 . . 19 GLN CA . 25179 1
129 . 1 1 19 19 GLN CB C 13 28.327 0.005 . 1 . 143 . . 19 GLN CB . 25179 1
130 . 1 1 19 19 GLN N N 15 120.587 0.032 . 1 . 8 . . 19 GLN N . 25179 1
131 . 1 1 20 20 LYS H H 1 7.671 0.002 . 1 . 19 . . 20 LYS H . 25179 1
132 . 1 1 20 20 LYS HA H 1 4.188 0.005 . 1 . 235 . . 20 LYS HA . 25179 1
133 . 1 1 20 20 LYS HB2 H 1 1.821 0.005 . 2 . 298 . . 20 LYS HB2 . 25179 1
134 . 1 1 20 20 LYS HB3 H 1 1.913 0.005 . 2 . 299 . . 20 LYS HB3 . 25179 1
135 . 1 1 20 20 LYS C C 13 178.791 0.02 . 1 . 266 . . 20 LYS C . 25179 1
136 . 1 1 20 20 LYS CA C 13 58.146 0.03 . 1 . 100 . . 20 LYS CA . 25179 1
137 . 1 1 20 20 LYS CB C 13 31.965 0.013 . 1 . 99 . . 20 LYS CB . 25179 1
138 . 1 1 20 20 LYS N N 15 118.016 0.009 . 1 . 20 . . 20 LYS N . 25179 1
139 . 1 1 21 21 ALA H H 1 7.952 0.001 . 1 . 13 . . 21 ALA H . 25179 1
140 . 1 1 21 21 ALA HA H 1 4.015 0.005 . 1 . 236 . . 21 ALA HA . 25179 1
141 . 1 1 21 21 ALA HB1 H 1 1.461 0.005 . 1 . 300 . . 21 ALA HB1 . 25179 1
142 . 1 1 21 21 ALA HB2 H 1 1.461 0.005 . 1 . 300 . . 21 ALA HB2 . 25179 1
143 . 1 1 21 21 ALA HB3 H 1 1.461 0.005 . 1 . 300 . . 21 ALA HB3 . 25179 1
144 . 1 1 21 21 ALA C C 13 178.241 0.02 . 1 . 181 . . 21 ALA C . 25179 1
145 . 1 1 21 21 ALA CA C 13 55.117 0.01 . 1 . 102 . . 21 ALA CA . 25179 1
146 . 1 1 21 21 ALA CB C 13 18.362 0.015 . 1 . 101 . . 21 ALA CB . 25179 1
147 . 1 1 21 21 ALA N N 15 120.751 0.051 . 1 . 14 . . 21 ALA N . 25179 1
148 . 1 1 22 22 ARG H H 1 8.058 0.002 . 1 . 25 . . 22 ARG H . 25179 1
149 . 1 1 22 22 ARG HA H 1 3.908 0.005 . 1 . 237 . . 22 ARG HA . 25179 1
150 . 1 1 22 22 ARG C C 13 178.491 0.02 . 1 . 182 . . 22 ARG C . 25179 1
151 . 1 1 22 22 ARG CA C 13 59.036 0.018 . 1 . 107 . . 22 ARG CA . 25179 1
152 . 1 1 22 22 ARG CB C 13 29.839 0.009 . 1 . 106 . . 22 ARG CB . 25179 1
153 . 1 1 22 22 ARG N N 15 117.008 0.007 . 1 . 26 . . 22 ARG N . 25179 1
154 . 1 1 23 23 ASP H H 1 8.255 0.002 . 1 . 43 . . 23 ASP H . 25179 1
155 . 1 1 23 23 ASP HA H 1 4.368 0.004 . 1 . 238 . . 23 ASP HA . 25179 1
156 . 1 1 23 23 ASP HB2 H 1 2.693 0.005 . 2 . 301 . . 23 ASP HB2 . 25179 1
157 . 1 1 23 23 ASP HB3 H 1 2.805 0.005 . 2 . 302 . . 23 ASP HB3 . 25179 1
158 . 1 1 23 23 ASP C C 13 178.390 0.02 . 1 . 183 . . 23 ASP C . 25179 1
159 . 1 1 23 23 ASP CA C 13 57.064 0.009 . 1 . 109 . . 23 ASP CA . 25179 1
160 . 1 1 23 23 ASP CB C 13 40.016 0.009 . 1 . 108 . . 23 ASP CB . 25179 1
161 . 1 1 23 23 ASP N N 15 119.291 0.024 . 1 . 44 . . 23 ASP N . 25179 1
162 . 1 1 24 24 ALA H H 1 7.947 0.0 . 1 . 49 . . 24 ALA H . 25179 1
163 . 1 1 24 24 ALA HA H 1 4.238 0.002 . 1 . 239 . . 24 ALA HA . 25179 1
164 . 1 1 24 24 ALA HB1 H 1 1.527 0.005 . 1 . 303 . . 24 ALA HB1 . 25179 1
165 . 1 1 24 24 ALA HB2 H 1 1.527 0.005 . 1 . 303 . . 24 ALA HB2 . 25179 1
166 . 1 1 24 24 ALA HB3 H 1 1.527 0.005 . 1 . 303 . . 24 ALA HB3 . 25179 1
167 . 1 1 24 24 ALA C C 13 179.941 0.02 . 1 . 184 . . 24 ALA C . 25179 1
168 . 1 1 24 24 ALA CA C 13 54.820 0.014 . 1 . 110 . . 24 ALA CA . 25179 1
169 . 1 1 24 24 ALA CB C 13 18.282 0.011 . 1 . 111 . . 24 ALA CB . 25179 1
170 . 1 1 24 24 ALA N N 15 122.274 0.007 . 1 . 50 . . 24 ALA N . 25179 1
171 . 1 1 25 25 LEU H H 1 8.133 0.002 . 1 . 11 . . 25 LEU H . 25179 1
172 . 1 1 25 25 LEU HA H 1 4.037 0.006 . 1 . 240 . . 25 LEU HA . 25179 1
173 . 1 1 25 25 LEU HB2 H 1 1.657 0.005 . 2 . 304 . . 25 LEU HB2 . 25179 1
174 . 1 1 25 25 LEU HB3 H 1 1.881 0.005 . 2 . 309 . . 25 LEU HB3 . 25179 1
175 . 1 1 25 25 LEU C C 13 179.143 0.02 . 1 . 185 . . 25 LEU C . 25179 1
176 . 1 1 25 25 LEU CA C 13 57.620 0.011 . 1 . 91 . . 25 LEU CA . 25179 1
177 . 1 1 25 25 LEU CB C 13 41.535 0.013 . 1 . 92 . . 25 LEU CB . 25179 1
178 . 1 1 25 25 LEU N N 15 117.831 0.034 . 1 . 12 . . 25 LEU N . 25179 1
179 . 1 1 26 26 ASP H H 1 8.106 0.002 . 1 . 39 . . 26 ASP H . 25179 1
180 . 1 1 26 26 ASP HA H 1 4.463 0.0 . 1 . 241 . . 26 ASP HA . 25179 1
181 . 1 1 26 26 ASP HB2 H 1 2.682 0.005 . 2 . 305 . . 26 ASP HB2 . 25179 1
182 . 1 1 26 26 ASP HB3 H 1 2.855 0.005 . 2 . 306 . . 26 ASP HB3 . 25179 1
183 . 1 1 26 26 ASP C C 13 178.022 0.02 . 1 . 186 . . 26 ASP C . 25179 1
184 . 1 1 26 26 ASP CA C 13 56.715 0.009 . 1 . 98 . . 26 ASP CA . 25179 1
185 . 1 1 26 26 ASP CB C 13 40.506 0.002 . 1 . 97 . . 26 ASP CB . 25179 1
186 . 1 1 26 26 ASP N N 15 118.527 0.049 . 1 . 40 . . 26 ASP N . 25179 1
187 . 1 1 27 27 ASN H H 1 7.840 0.001 . 1 . 17 . . 27 ASN H . 25179 1
188 . 1 1 27 27 ASN HA H 1 4.667 0.002 . 1 . 242 . . 27 ASN HA . 25179 1
189 . 1 1 27 27 ASN HB2 H 1 2.886 0.005 . 1 . 307 . . 27 ASN HB2 . 25179 1
190 . 1 1 27 27 ASN HB3 H 1 2.886 0.005 . 1 . 308 . . 27 ASN HB3 . 25179 1
191 . 1 1 27 27 ASN C C 13 176.296 0.02 . 1 . 187 . . 27 ASN C . 25179 1
192 . 1 1 27 27 ASN CA C 13 54.525 0.015 . 1 . 96 . . 27 ASN CA . 25179 1
193 . 1 1 27 27 ASN CB C 13 39.182 0.006 . 1 . 95 . . 27 ASN CB . 25179 1
194 . 1 1 27 27 ASN N N 15 116.608 0.018 . 1 . 18 . . 27 ASN N . 25179 1
195 . 1 1 28 28 LEU H H 1 7.965 0.001 . 1 . 83 . . 28 LEU H . 25179 1
196 . 1 1 28 28 LEU HA H 1 4.295 0.002 . 1 . 243 . . 28 LEU HA . 25179 1
197 . 1 1 28 28 LEU C C 13 177.581 0.02 . 1 . 188 . . 28 LEU C . 25179 1
198 . 1 1 28 28 LEU CA C 13 56.250 0.022 . 1 . 113 . . 28 LEU CA . 25179 1
199 . 1 1 28 28 LEU CB C 13 41.933 0.014 . 1 . 112 . . 28 LEU CB . 25179 1
200 . 1 1 28 28 LEU N N 15 120.900 0.056 . 1 . 84 . . 28 LEU N . 25179 1
201 . 1 1 29 29 ALA H H 1 8.263 0.003 . 1 . 59 . . 29 ALA H . 25179 1
202 . 1 1 29 29 ALA HA H 1 4.179 0.001 . 1 . 220 . . 29 ALA HA . 25179 1
203 . 1 1 29 29 ALA HB1 H 1 1.521 0.005 . 1 . 310 . . 29 ALA HB1 . 25179 1
204 . 1 1 29 29 ALA HB2 H 1 1.521 0.005 . 1 . 310 . . 29 ALA HB2 . 25179 1
205 . 1 1 29 29 ALA HB3 H 1 1.521 0.005 . 1 . 310 . . 29 ALA HB3 . 25179 1
206 . 1 1 29 29 ALA C C 13 179.698 0.02 . 1 . 189 . . 29 ALA C . 25179 1
207 . 1 1 29 29 ALA CA C 13 54.538 0.009 . 1 . 114 . . 29 ALA CA . 25179 1
208 . 1 1 29 29 ALA CB C 13 18.261 0.005 . 1 . 115 . . 29 ALA CB . 25179 1
209 . 1 1 29 29 ALA N N 15 124.190 0.02 . 1 . 60 . . 29 ALA N . 25179 1
210 . 1 1 30 30 VAL H H 1 7.716 0.003 . 1 . 57 . . 30 VAL H . 25179 1
211 . 1 1 30 30 VAL HA H 1 4.001 0.005 . 1 . 244 . . 30 VAL HA . 25179 1
212 . 1 1 30 30 VAL HB H 1 2.260 0.005 . 1 . 311 . . 30 VAL HB . 25179 1
213 . 1 1 30 30 VAL C C 13 176.798 0.02 . 1 . 190 . . 30 VAL C . 25179 1
214 . 1 1 30 30 VAL CA C 13 63.820 0.019 . 1 . 116 . . 30 VAL CA . 25179 1
215 . 1 1 30 30 VAL CB C 13 31.785 0.01 . 1 . 117 . . 30 VAL CB . 25179 1
216 . 1 1 30 30 VAL N N 15 115.052 0.026 . 1 . 58 . . 30 VAL N . 25179 1
217 . 1 1 31 31 LEU H H 1 7.597 0.004 . 1 . 69 . . 31 LEU H . 25179 1
218 . 1 1 31 31 LEU HA H 1 4.230 0.002 . 1 . 245 . . 31 LEU HA . 25179 1
219 . 1 1 31 31 LEU C C 13 177.397 0.02 . 1 . 191 . . 31 LEU C . 25179 1
220 . 1 1 31 31 LEU CA C 13 55.880 0.015 . 1 . 215 . . 31 LEU CA . 25179 1
221 . 1 1 31 31 LEU CB C 13 41.909 0.002 . 1 . 157 . . 31 LEU CB . 25179 1
222 . 1 1 31 31 LEU N N 15 119.476 0.019 . 1 . 70 . . 31 LEU N . 25179 1
223 . 1 1 32 32 HIS H H 1 8.017 0.003 . 1 . 81 . . 32 HIS H . 25179 1
224 . 1 1 32 32 HIS HA H 1 4.780 0.004 . 1 . 246 . . 32 HIS HA . 25179 1
225 . 1 1 32 32 HIS HB2 H 1 3.186 0.005 . 2 . 314 . . 32 HIS HB2 . 25179 1
226 . 1 1 32 32 HIS HB3 H 1 3.397 0.005 . 2 . 315 . . 32 HIS HB3 . 25179 1
227 . 1 1 32 32 HIS C C 13 174.943 0.02 . 1 . 192 . . 32 HIS C . 25179 1
228 . 1 1 32 32 HIS CA C 13 55.714 0.023 . 1 . 147 . . 32 HIS CA . 25179 1
229 . 1 1 32 32 HIS CB C 13 28.921 0.006 . 1 . 146 . . 32 HIS CB . 25179 1
230 . 1 1 32 32 HIS N N 15 115.996 0.039 . 1 . 82 . . 32 HIS N . 25179 1
231 . 1 1 33 33 THR H H 1 7.918 0.003 . 1 . 33 . . 33 THR H . 25179 1
232 . 1 1 33 33 THR HA H 1 4.308 0.001 . 1 . 247 . . 33 THR HA . 25179 1
233 . 1 1 33 33 THR HB H 1 4.319 0.005 . 1 . 316 . . 33 THR HB . 25179 1
234 . 1 1 33 33 THR C C 13 174.781 0.02 . 1 . 193 . . 33 THR C . 25179 1
235 . 1 1 33 33 THR CA C 13 62.332 0.007 . 1 . 148 . . 33 THR CA . 25179 1
236 . 1 1 33 33 THR CB C 13 69.692 0.003 . 1 . 149 . . 33 THR CB . 25179 1
237 . 1 1 33 33 THR N N 15 113.368 0.019 . 1 . 34 . . 33 THR N . 25179 1
238 . 1 1 34 34 ALA H H 1 8.166 0.002 . 1 . 73 . . 34 ALA H . 25179 1
239 . 1 1 34 34 ALA HA H 1 4.297 0.005 . 1 . 248 . . 34 ALA HA . 25179 1
240 . 1 1 34 34 ALA HB1 H 1 1.438 0.005 . 1 . 317 . . 34 ALA HB1 . 25179 1
241 . 1 1 34 34 ALA HB2 H 1 1.438 0.005 . 1 . 317 . . 34 ALA HB2 . 25179 1
242 . 1 1 34 34 ALA HB3 H 1 1.438 0.005 . 1 . 317 . . 34 ALA HB3 . 25179 1
243 . 1 1 34 34 ALA C C 13 178.011 0.02 . 1 . 194 . . 34 ALA C . 25179 1
244 . 1 1 34 34 ALA CA C 13 53.049 0.013 . 1 . 150 . . 34 ALA CA . 25179 1
245 . 1 1 34 34 ALA CB C 13 18.957 0.019 . 1 . 151 . . 34 ALA CB . 25179 1
246 . 1 1 34 34 ALA N N 15 125.192 0.006 . 1 . 74 . . 34 ALA N . 25179 1
247 . 1 1 35 35 GLU H H 1 8.218 0.001 . 1 . 23 . . 35 GLU H . 25179 1
248 . 1 1 35 35 GLU HA H 1 4.244 0.003 . 1 . 249 . . 35 GLU HA . 25179 1
249 . 1 1 35 35 GLU C C 13 176.556 0.02 . 1 . 195 . . 35 GLU C . 25179 1
250 . 1 1 35 35 GLU CA C 13 56.702 0.015 . 1 . 119 . . 35 GLU CA . 25179 1
251 . 1 1 35 35 GLU CB C 13 29.881 0.002 . 1 . 118 . . 35 GLU CB . 25179 1
252 . 1 1 35 35 GLU N N 15 118.754 0.011 . 1 . 24 . . 35 GLU N . 25179 1
253 . 1 1 36 36 ALA H H 1 8.115 0.001 . 1 . 87 . . 36 ALA H . 25179 1
254 . 1 1 36 36 ALA HA H 1 4.276 0.004 . 1 . 250 . . 36 ALA HA . 25179 1
255 . 1 1 36 36 ALA HB1 H 1 1.414 0.005 . 1 . 318 . . 36 ALA HB1 . 25179 1
256 . 1 1 36 36 ALA HB2 H 1 1.414 0.005 . 1 . 318 . . 36 ALA HB2 . 25179 1
257 . 1 1 36 36 ALA HB3 H 1 1.414 0.005 . 1 . 318 . . 36 ALA HB3 . 25179 1
258 . 1 1 36 36 ALA C C 13 178.287 0.02 . 1 . 196 . . 36 ALA C . 25179 1
259 . 1 1 36 36 ALA CA C 13 52.892 0.004 . 1 . 120 . . 36 ALA CA . 25179 1
260 . 1 1 36 36 ALA CB C 13 18.926 0.003 . 1 . 121 . . 36 ALA CB . 25179 1
261 . 1 1 36 36 ALA N N 15 123.507 0.059 . 1 . 88 . . 36 ALA N . 25179 1
262 . 1 1 37 37 GLY H H 1 8.222 0.001 . 1 . 85 . . 37 GLY H . 25179 1
263 . 1 1 37 37 GLY HA2 H 1 3.926 0.0 . 2 . 251 . . 37 GLY HA2 . 25179 1
264 . 1 1 37 37 GLY HA3 H 1 4.016 0.0 . 2 . 268 . . 37 GLY HA3 . 25179 1
265 . 1 1 37 37 GLY C C 13 174.889 0.02 . 1 . 197 . . 37 GLY C . 25179 1
266 . 1 1 37 37 GLY CA C 13 45.541 0.009 . 1 . 263 . . 37 GLY CA . 25179 1
267 . 1 1 37 37 GLY N N 15 107.555 0.005 . 1 . 86 . . 37 GLY N . 25179 1
268 . 1 1 38 38 GLY H H 1 8.175 0.001 . 1 . 75 . . 38 GLY H . 25179 1
269 . 1 1 38 38 GLY HA2 H 1 3.991 0.003 . 1 . 252 . . 38 GLY HA2 . 25179 1
270 . 1 1 38 38 GLY C C 13 174.509 0.02 . 1 . 198 . . 38 GLY C . 25179 1
271 . 1 1 38 38 GLY CA C 13 45.473 0.024 . 1 . 152 . . 38 GLY CA . 25179 1
272 . 1 1 38 38 GLY N N 15 108.341 0.004 . 1 . 76 . . 38 GLY N . 25179 1
273 . 1 1 39 39 ARG H H 1 8.048 0.001 . 1 . 41 . . 39 ARG H . 25179 1
274 . 1 1 39 39 ARG HA H 1 4.266 0.001 . 1 . 253 . . 39 ARG HA . 25179 1
275 . 1 1 39 39 ARG HB2 H 1 1.751 0.005 . 1 . 319 . . 39 ARG HB2 . 25179 1
276 . 1 1 39 39 ARG HB3 H 1 1.751 0.005 . 1 . 320 . . 39 ARG HB3 . 25179 1
277 . 1 1 39 39 ARG C C 13 176.378 0.02 . 1 . 264 . . 39 ARG C . 25179 1
278 . 1 1 39 39 ARG CA C 13 56.618 0.01 . 1 . 144 . . 39 ARG CA . 25179 1
279 . 1 1 39 39 ARG CB C 13 30.581 0.004 . 1 . 145 . . 39 ARG CB . 25179 1
280 . 1 1 39 39 ARG N N 15 119.939 0.007 . 1 . 42 . . 39 ARG N . 25179 1
281 . 1 1 40 40 ALA H H 1 8.164 0.001 . 1 . 15 . . 40 ALA H . 25179 1
282 . 1 1 40 40 ALA HA H 1 4.259 0.004 . 1 . 254 . . 40 ALA HA . 25179 1
283 . 1 1 40 40 ALA HB1 H 1 1.334 0.005 . 1 . 322 . . 40 ALA HB1 . 25179 1
284 . 1 1 40 40 ALA HB2 H 1 1.334 0.005 . 1 . 322 . . 40 ALA HB2 . 25179 1
285 . 1 1 40 40 ALA HB3 H 1 1.334 0.005 . 1 . 322 . . 40 ALA HB3 . 25179 1
286 . 1 1 40 40 ALA C C 13 177.451 0.02 . 1 . 199 . . 40 ALA C . 25179 1
287 . 1 1 40 40 ALA CA C 13 52.906 0.004 . 1 . 93 . . 40 ALA CA . 25179 1
288 . 1 1 40 40 ALA CB C 13 18.993 0.004 . 1 . 94 . . 40 ALA CB . 25179 1
289 . 1 1 40 40 ALA N N 15 123.003 0.052 . 1 . 16 . . 40 ALA N . 25179 1
290 . 1 1 41 41 TYR H H 1 7.856 0.001 . 1 . 29 . . 41 TYR H . 25179 1
291 . 1 1 41 41 TYR HA H 1 4.448 0.0 . 1 . 255 . . 41 TYR HA . 25179 1
292 . 1 1 41 41 TYR C C 13 175.815 0.02 . 1 . 200 . . 41 TYR C . 25179 1
293 . 1 1 41 41 TYR CA C 13 58.398 0.014 . 1 . 158 . . 41 TYR CA . 25179 1
294 . 1 1 41 41 TYR CB C 13 38.387 0.02 . 1 . 216 . . 41 TYR CB . 25179 1
295 . 1 1 41 41 TYR N N 15 117.599 0.008 . 1 . 30 . . 41 TYR N . 25179 1
296 . 1 1 42 42 ASN H H 1 8.063 0.002 . 1 . 53 . . 42 ASN H . 25179 1
297 . 1 1 42 42 ASN HA H 1 4.552 0.002 . 1 . 256 . . 42 ASN HA . 25179 1
298 . 1 1 42 42 ASN HB2 H 1 2.703 0.005 . 2 . 323 . . 42 ASN HB2 . 25179 1
299 . 1 1 42 42 ASN HB3 H 1 2.733 0.005 . 2 . 324 . . 42 ASN HB3 . 25179 1
300 . 1 1 42 42 ASN C C 13 175.417 0.02 . 1 . 201 . . 42 ASN C . 25179 1
301 . 1 1 42 42 ASN CA C 13 53.779 0.008 . 1 . 139 . . 42 ASN CA . 25179 1
302 . 1 1 42 42 ASN CB C 13 38.678 0.012 . 1 . 140 . . 42 ASN CB . 25179 1
303 . 1 1 42 42 ASN N N 15 118.525 0.025 . 1 . 54 . . 42 ASN N . 25179 1
304 . 1 1 43 43 HIS H H 1 7.995 0.002 . 1 . 45 . . 43 HIS H . 25179 1
305 . 1 1 43 43 HIS HA H 1 4.555 0.004 . 1 . 257 . . 43 HIS HA . 25179 1
306 . 1 1 43 43 HIS HB2 H 1 3.167 0.005 . 2 . 312 . . 43 HIS HB2 . 25179 1
307 . 1 1 43 43 HIS HB3 H 1 3.280 0.005 . 2 . 313 . . 43 HIS HB3 . 25179 1
308 . 1 1 43 43 HIS C C 13 174.484 0.02 . 1 . 202 . . 43 HIS C . 25179 1
309 . 1 1 43 43 HIS CA C 13 56.131 0.015 . 1 . 133 . . 43 HIS CA . 25179 1
310 . 1 1 43 43 HIS CB C 13 28.833 0.008 . 1 . 134 . . 43 HIS CB . 25179 1
311 . 1 1 43 43 HIS N N 15 117.925 0.059 . 1 . 46 . . 43 HIS N . 25179 1
312 . 1 1 44 44 ALA H H 1 8.045 0.001 . 1 . 31 . . 44 ALA H . 25179 1
313 . 1 1 44 44 ALA HA H 1 4.292 0.004 . 1 . 258 . . 44 ALA HA . 25179 1
314 . 1 1 44 44 ALA HB1 H 1 1.403 0.005 . 1 . 321 . . 44 ALA HB1 . 25179 1
315 . 1 1 44 44 ALA HB2 H 1 1.403 0.005 . 1 . 321 . . 44 ALA HB2 . 25179 1
316 . 1 1 44 44 ALA HB3 H 1 1.403 0.005 . 1 . 321 . . 44 ALA HB3 . 25179 1
317 . 1 1 44 44 ALA C C 13 178.030 0.02 . 1 . 203 . . 44 ALA C . 25179 1
318 . 1 1 44 44 ALA CA C 13 53.026 0.003 . 1 . 104 . . 44 ALA CA . 25179 1
319 . 1 1 44 44 ALA CB C 13 19.217 0.009 . 1 . 105 . . 44 ALA CB . 25179 1
320 . 1 1 44 44 ALA N N 15 122.794 0.05 . 1 . 32 . . 44 ALA N . 25179 1
321 . 1 1 45 45 LEU H H 1 8.047 0.002 . 1 . 35 . . 45 LEU H . 25179 1
322 . 1 1 45 45 LEU HA H 1 4.277 0.004 . 1 . 259 . . 45 LEU HA . 25179 1
323 . 1 1 45 45 LEU HB2 H 1 1.616 0.005 . 2 . 325 . . 45 LEU HB2 . 25179 1
324 . 1 1 45 45 LEU HB3 H 1 1.712 0.005 . 2 . 326 . . 45 LEU HB3 . 25179 1
325 . 1 1 45 45 LEU C C 13 177.729 0.02 . 1 . 265 . . 45 LEU C . 25179 1
326 . 1 1 45 45 LEU CA C 13 55.642 0.005 . 1 . 136 . . 45 LEU CA . 25179 1
327 . 1 1 45 45 LEU CB C 13 41.774 0.005 . 1 . 135 . . 45 LEU CB . 25179 1
328 . 1 1 45 45 LEU N N 15 119.269 0.015 . 1 . 36 . . 45 LEU N . 25179 1
329 . 1 1 46 46 SER H H 1 7.935 0.002 . 1 . 65 . . 46 SER H . 25179 1
330 . 1 1 46 46 SER HA H 1 4.387 0.003 . 1 . 260 . . 46 SER HA . 25179 1
331 . 1 1 46 46 SER HB2 H 1 3.873 0.005 . 2 . 327 . . 46 SER HB2 . 25179 1
332 . 1 1 46 46 SER HB3 H 1 3.916 0.005 . 2 . 328 . . 46 SER HB3 . 25179 1
333 . 1 1 46 46 SER C C 13 174.523 0.02 . 1 . 204 . . 46 SER C . 25179 1
334 . 1 1 46 46 SER CA C 13 58.736 0.012 . 1 . 137 . . 46 SER CA . 25179 1
335 . 1 1 46 46 SER CB C 13 63.721 0.006 . 1 . 138 . . 46 SER CB . 25179 1
336 . 1 1 46 46 SER N N 15 114.322 0.041 . 1 . 66 . . 46 SER N . 25179 1
337 . 1 1 47 47 GLU H H 1 8.116 0.002 . 1 . 61 . . 47 GLU H . 25179 1
338 . 1 1 47 47 GLU HA H 1 4.356 0.001 . 1 . 261 . . 47 GLU HA . 25179 1
339 . 1 1 47 47 GLU HB2 H 1 1.916 0.005 . 2 . 329 . . 47 GLU HB2 . 25179 1
340 . 1 1 47 47 GLU HB3 H 1 2.143 0.005 . 2 . 330 . . 47 GLU HB3 . 25179 1
341 . 1 1 47 47 GLU C C 13 175.562 0.02 . 1 . 205 . . 47 GLU C . 25179 1
342 . 1 1 47 47 GLU CA C 13 56.157 0.01 . 1 . 217 . . 47 GLU CA . 25179 1
343 . 1 1 47 47 GLU CB C 13 30.156 0.008 . 1 . 132 . . 47 GLU CB . 25179 1
344 . 1 1 47 47 GLU N N 15 122.087 0.021 . 1 . 62 . . 47 GLU N . 25179 1
345 . 1 1 48 48 LEU H H 1 7.642 0.001 . 1 . 47 . . 48 LEU H . 25179 1
346 . 1 1 48 48 LEU HA H 1 4.137 0.001 . 1 . 262 . . 48 LEU HA . 25179 1
347 . 1 1 48 48 LEU HB2 H 1 1.569 0.005 . 2 . 331 . . 48 LEU HB2 . 25179 1
348 . 1 1 48 48 LEU HB3 H 1 1.614 0.005 . 2 . 332 . . 48 LEU HB3 . 25179 1
349 . 1 1 48 48 LEU CA C 13 56.758 0.012 . 1 . 219 . . 48 LEU CA . 25179 1
350 . 1 1 48 48 LEU CB C 13 43.074 0.001 . 1 . 218 . . 48 LEU CB . 25179 1
351 . 1 1 48 48 LEU N N 15 127.800 0.037 . 1 . 48 . . 48 LEU N . 25179 1
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