Content for NMR-STAR saveframe, "D0_theoretical_chem_shift_list_1"
save_D0_theoretical_chem_shift_list_1
_Theoretical_chem_shift_list.Sf_category theoretical_chem_shifts
_Theoretical_chem_shift_list.Sf_framecode D0_theoretical_chem_shift_list_1
_Theoretical_chem_shift_list.Entry_ID 25255
_Theoretical_chem_shift_list.ID 1
_Theoretical_chem_shift_list.Name .
_Theoretical_chem_shift_list.Chem_shifts_calc_type_ID 1
_Theoretical_chem_shift_list.Chem_shifts_calc_type_label $extrapolation
_Theoretical_chem_shift_list.Model_atomic_coordinates_ID .
_Theoretical_chem_shift_list.Model_atomic_coordinates_label .
_Theoretical_chem_shift_list.Tensor_list_ID .
_Theoretical_chem_shift_list.Tensor_list_label .
_Theoretical_chem_shift_list.Fermi_contact_spin_density_units .
_Theoretical_chem_shift_list.Chem_shift_1H_err .
_Theoretical_chem_shift_list.Chem_shift_2H_err .
_Theoretical_chem_shift_list.Chem_shift_13C_err .
_Theoretical_chem_shift_list.Chem_shift_15N_err .
_Theoretical_chem_shift_list.Chem_shift_19F_err .
_Theoretical_chem_shift_list.Chem_shift_31P_err .
_Theoretical_chem_shift_list.Details .
_Theoretical_chem_shift_list.Text_data_format .
_Theoretical_chem_shift_list.Text_data .
loop_
_Theoretical_chem_shift.ID
_Theoretical_chem_shift.Assembly_atom_ID
_Theoretical_chem_shift.Entity_assembly_ID
_Theoretical_chem_shift.Entity_ID
_Theoretical_chem_shift.Comp_index_ID
_Theoretical_chem_shift.Seq_ID
_Theoretical_chem_shift.Comp_ID
_Theoretical_chem_shift.Atom_ID
_Theoretical_chem_shift.Atom_type
_Theoretical_chem_shift.Atom_isotope_number
_Theoretical_chem_shift.Fermi_contact_spin_density
_Theoretical_chem_shift.Val
_Theoretical_chem_shift.Val_err
_Theoretical_chem_shift.Auth_entity_assembly_ID
_Theoretical_chem_shift.Auth_asym_ID
_Theoretical_chem_shift.Auth_seq_ID
_Theoretical_chem_shift.Auth_comp_ID
_Theoretical_chem_shift.Auth_atom_ID
_Theoretical_chem_shift.Entry_ID
_Theoretical_chem_shift.Theoretical_chem_shift_list_ID
1 . 1 1 2 2 GLN C C 13 . 175.64 0.03 . . 2 Gln C 25255 1
10 . 1 1 4 4 THR N N 15 . 119.69 0.12 . . 4 Thr N 25255 1
100 . 1 1 28 28 ALA C C 13 . 177.52 0.07 . . 28 Ala C 25255 1
101 . 1 1 28 28 ALA CA C 13 . 52.65 0.05 . . 28 Ala CA 25255 1
102 . 1 1 28 28 ALA N N 15 . 123.57 0.12 . . 28 Ala N 25255 1
103 . 1 1 29 29 ASP H H 1 . 8.32 0.00 . . 29 Asp H 25255 1
104 . 1 1 29 29 ASP C C 13 . 176.09 0.03 . . 29 Asp C 25255 1
105 . 1 1 29 29 ASP CA C 13 . 54.31 0.01 . . 29 Asp CA 25255 1
106 . 1 1 29 29 ASP N N 15 . 119.21 0.01 . . 29 Asp N 25255 1
107 . 1 1 30 30 ASP H H 1 . 8.29 0.00 . . 30 Asp H 25255 1
108 . 1 1 30 30 ASP C C 13 . 176.63 0.05 . . 30 Asp C 25255 1
109 . 1 1 30 30 ASP CA C 13 . 54.62 0.06 . . 30 Asp CA 25255 1
11 . 1 1 5 5 LEU H H 1 . 8.23 0.01 . . 5 Leu H 25255 1
110 . 1 1 30 30 ASP N N 15 . 120.86 0.03 . . 30 Asp N 25255 1
111 . 1 1 31 31 THR H H 1 . 8.12 0.05 . . 31 Thr H 25255 1
112 . 1 1 31 31 THR C C 13 . 174.88 0.04 . . 31 Thr C 25255 1
113 . 1 1 31 31 THR CA C 13 . 62.96 0.03 . . 31 Thr CA 25255 1
114 . 1 1 31 31 THR N N 15 . 114.55 0.09 . . 31 Thr N 25255 1
115 . 1 1 32 32 VAL H H 1 . 8.01 0.02 . . 32 Val H 25255 1
116 . 1 1 32 32 VAL C C 13 . 176.35 0.15 . . 32 Val C 25255 1
117 . 1 1 32 32 VAL CA C 13 . 63.02 0.29 . . 32 Val CA 25255 1
118 . 1 1 32 32 VAL N N 15 . 122.41 0.38 . . 32 Val N 25255 1
119 . 1 1 33 33 LEU H H 1 . 8.14 0.07 . . 33 Leu H 25255 1
12 . 1 1 5 5 LEU C C 13 . 176.65 0.04 . . 5 Leu C 25255 1
120 . 1 1 33 33 LEU C C 13 . 177.69 0.13 . . 33 Leu C 25255 1
121 . 1 1 33 33 LEU CA C 13 . 55.71 0.19 . . 33 Leu CA 25255 1
122 . 1 1 33 33 LEU N N 15 . 124.77 0.81 . . 33 Leu N 25255 1
123 . 1 1 34 34 GLU H H 1 . 8.33 0.01 . . 34 Glu H 25255 1
124 . 1 1 34 34 GLU C C 13 . 176.74 0.00 . . 34 Glu C 25255 1
125 . 1 1 34 34 GLU CA C 13 . 56.97 0.01 . . 34 Glu CA 25255 1
126 . 1 1 34 34 GLU N N 15 . 121.35 0.07 . . 34 Glu N 25255 1
127 . 1 1 35 35 GLU H H 1 . 8.34 0.00 . . 35 Glu H 25255 1
128 . 1 1 35 35 GLU C C 13 . 176.66 0.00 . . 35 Glu C 25255 1
129 . 1 1 35 35 GLU CA C 13 . 56.98 0.02 . . 35 Glu CA 25255 1
13 . 1 1 5 5 LEU CA C 13 . 55.14 0.07 . . 5 Leu CA 25255 1
130 . 1 1 35 35 GLU N N 15 . 121.1 0.03 . . 35 Glu N 25255 1
131 . 1 1 36 36 MET H H 1 . 8.21 0.05 . . 36 Met H 25255 1
132 . 1 1 36 36 MET C C 13 . 174.59 0.06 . . 36 Met C 25255 1
133 . 1 1 36 36 MET CA C 13 . 55.97 0.07 . . 36 Met CA 25255 1
134 . 1 1 36 36 MET N N 15 . 119.87 0.21 . . 36 Met N 25255 1
135 . 1 1 37 37 ASN H H 1 . 8.32 0.06 . . 37 Asn H 25255 1
136 . 1 1 37 37 ASN C C 13 . 174.59 0.02 . . 37 Asn C 25255 1
137 . 1 1 37 37 ASN CA C 13 . 53.12 0.04 . . 37 Asn CA 25255 1
138 . 1 1 37 37 ASN N N 15 . 118.87 0.20 . . 37 Asn N 25255 1
139 . 1 1 38 38 LEU H H 1 . 7.98 0.03 . . 38 Leu H 25255 1
14 . 1 1 5 5 LEU N N 15 . 125.49 0.08 . . 5 Leu N 25255 1
140 . 1 1 38 38 LEU N N 15 . 123.15 0.09 . . 38 Leu N 25255 1
141 . 1 1 39 39 PRO C C 13 . 177.63 0.03 . . 39 Pro C 25255 1
142 . 1 1 39 39 PRO CA C 13 . 63.57 0.04 . . 39 Pro CA 25255 1
143 . 1 1 40 40 GLY H H 1 . 8.39 0.01 . . 40 Gly H 25255 1
144 . 1 1 40 40 GLY C C 13 . 174.26 0.02 . . 40 Gly C 25255 1
145 . 1 1 40 40 GLY CA C 13 . 45.46 0.01 . . 40 Gly CA 25255 1
146 . 1 1 40 40 GLY N N 15 . 108.94 0.09 . . 40 Gly N 25255 1
147 . 1 1 41 41 LYS H H 1 . 8 0.02 . . 41 Lys H 25255 1
148 . 1 1 41 41 LYS C C 13 . 176.22 0.04 . . 41 Lys C 25255 1
149 . 1 1 41 41 LYS CA C 13 . 56.45 0.13 . . 41 Lys CA 25255 1
15 . 1 1 6 6 TRP H H 1 . 8.05 0.02 . . 6 Trp H 25255 1
150 . 1 1 41 41 LYS N N 15 . 120.3 0.10 . . 41 Lys N 25255 1
151 . 1 1 42 42 TRP H H 1 . 8.11 0.03 . . 42 Trp H 25255 1
152 . 1 1 42 42 TRP C C 13 . 175.55 0.03 . . 42 Trp C 25255 1
153 . 1 1 42 42 TRP CA C 13 . 57.46 0.05 . . 42 Trp CA 25255 1
154 . 1 1 42 42 TRP N N 15 . 121.87 0.16 . . 42 Trp N 25255 1
155 . 1 1 43 43 LYS H H 1 . 7.83 0.02 . . 43 Lys H 25255 1
156 . 1 1 43 43 LYS N N 15 . 124.83 0.11 . . 43 Lys N 25255 1
157 . 1 1 44 44 PRO C C 13 . 176.67 0.04 . . 44 Pro C 25255 1
158 . 1 1 44 44 PRO CA C 13 . 62.92 0.06 . . 44 Pro CA 25255 1
159 . 1 1 45 45 LYS H H 1 . 8.33 0.02 . . 45 Lys H 25255 1
16 . 1 1 6 6 TRP C C 13 . 175.72 0.01 . . 6 Trp C 25255 1
160 . 1 1 45 45 LYS C C 13 . 176.46 0.06 . . 45 Lys C 25255 1
161 . 1 1 45 45 LYS CA C 13 . 56.46 0.03 . . 45 Lys CA 25255 1
162 . 1 1 45 45 LYS N N 15 . 121.14 0.18 . . 45 Lys N 25255 1
163 . 1 1 46 46 MET H H 1 . 8.34 0.03 . . 46 Met H 25255 1
164 . 1 1 46 46 MET C C 13 . 175.93 0.04 . . 46 Met C 25255 1
165 . 1 1 46 46 MET CA C 13 . 55.33 0.05 . . 46 Met CA 25255 1
166 . 1 1 46 46 MET N N 15 . 121.86 0.16 . . 46 Met N 25255 1
167 . 1 1 47 47 ILE H H 1 . 8.23 0.02 . . 47 Ile H 25255 1
168 . 1 1 47 47 ILE C C 13 . 176.58 0.03 . . 47 Ile C 25255 1
169 . 1 1 47 47 ILE CA C 13 . 61.23 0.03 . . 47 Ile CA 25255 1
17 . 1 1 6 6 TRP CA C 13 . 57.21 0.02 . . 6 Trp CA 25255 1
170 . 1 1 47 47 ILE N N 15 . 122.69 0.14 . . 47 Ile N 25255 1
171 . 1 1 48 48 GLY H H 1 . 8.49 0.01 . . 48 Gly H 25255 1
172 . 1 1 48 48 GLY C C 13 . 174.46 0.06 . . 48 Gly C 25255 1
173 . 1 1 48 48 GLY CA C 13 . 45.26 0.03 . . 48 Gly CA 25255 1
174 . 1 1 48 48 GLY N N 15 . 112.94 0.13 . . 48 Gly N 25255 1
175 . 1 1 49 49 GLY H H 1 . 8.22 0.01 . . 49 Gly H 25255 1
176 . 1 1 49 49 GLY C C 13 . 174.3 0.03 . . 49 Gly C 25255 1
177 . 1 1 49 49 GLY CA C 13 . 45.25 0.02 . . 49 Gly CA 25255 1
178 . 1 1 49 49 GLY N N 15 . 108.54 0.05 . . 49 Gly N 25255 1
179 . 1 1 50 50 ILE H H 1 . 8.1 0.00 . . 50 Ile H 25255 1
18 . 1 1 6 6 TRP N N 15 . 122.07 0.20 . . 6 Trp N 25255 1
180 . 1 1 50 50 ILE C C 13 . 176.96 0.03 . . 50 Ile C 25255 1
181 . 1 1 50 50 ILE CA C 13 . 61.51 0.03 . . 50 Ile CA 25255 1
182 . 1 1 50 50 ILE N N 15 . 119.73 0.05 . . 50 Ile N 25255 1
183 . 1 1 51 51 GLY H H 1 . 8.51 0.00 . . 51 Gly H 25255 1
184 . 1 1 51 51 GLY C C 13 . 174.49 0.02 . . 51 Gly C 25255 1
185 . 1 1 51 51 GLY CA C 13 . 45.41 0.03 . . 51 Gly CA 25255 1
186 . 1 1 51 51 GLY N N 15 . 112.57 0.04 . . 51 Gly N 25255 1
187 . 1 1 52 52 GLY H H 1 . 8.13 0.01 . . 52 Gly H 25255 1
188 . 1 1 52 52 GLY C C 13 . 173.75 0.03 . . 52 Gly C 25255 1
189 . 1 1 52 52 GLY CA C 13 . 45.19 0.02 . . 52 Gly CA 25255 1
19 . 1 1 7 7 LYS H H 1 . 7.99 0.02 . . 7 Lys H 25255 1
190 . 1 1 52 52 GLY N N 15 . 108.32 0.11 . . 52 Gly N 25255 1
191 . 1 1 53 53 PHE H H 1 . 8.07 0.01 . . 53 Phe H 25255 1
192 . 1 1 53 53 PHE C C 13 . 175.54 0.01 . . 53 Phe C 25255 1
193 . 1 1 53 53 PHE CA C 13 . 57.78 0.01 . . 53 Phe CA 25255 1
194 . 1 1 53 53 PHE N N 15 . 119.84 0.05 . . 53 Phe N 25255 1
195 . 1 1 54 54 ILE H H 1 . 8.04 0.02 . . 54 Ile H 25255 1
196 . 1 1 54 54 ILE C C 13 . 175.58 0.04 . . 54 Ile C 25255 1
197 . 1 1 54 54 ILE CA C 13 . 60.89 0.04 . . 54 Ile CA 25255 1
198 . 1 1 54 54 ILE N N 15 . 122.92 0.19 . . 54 Ile N 25255 1
199 . 1 1 55 55 LYS H H 1 . 8.3 0.01 . . 55 Lys H 25255 1
2 . 1 1 2 2 GLN CA C 13 . 56.08 0.03 . . 2 Gln CA 25255 1
20 . 1 1 7 7 LYS C C 13 . 175.43 0.04 . . 7 Lys C 25255 1
200 . 1 1 55 55 LYS C C 13 . 176.27 0.04 . . 55 Lys C 25255 1
201 . 1 1 55 55 LYS CA C 13 . 56.31 0.03 . . 55 Lys CA 25255 1
202 . 1 1 55 55 LYS N N 15 . 125.89 0.19 . . 55 Lys N 25255 1
203 . 1 1 56 56 VAL H H 1 . 8.12 0.02 . . 56 Val H 25255 1
204 . 1 1 56 56 VAL C C 13 . 175.92 0.04 . . 56 Val C 25255 1
205 . 1 1 56 56 VAL CA C 13 . 62.24 0.06 . . 56 Val CA 25255 1
206 . 1 1 56 56 VAL N N 15 . 121.9 0.19 . . 56 Val N 25255 1
207 . 1 1 57 57 ARG H H 1 . 8.39 0.02 . . 57 Arg H 25255 1
208 . 1 1 57 57 ARG C C 13 . 175.83 0.06 . . 57 Arg C 25255 1
209 . 1 1 57 57 ARG CA C 13 . 56.12 0.02 . . 57 Arg CA 25255 1
21 . 1 1 7 7 LYS CA C 13 . 55.78 0.03 . . 7 Lys CA 25255 1
210 . 1 1 57 57 ARG N N 15 . 124.91 0.11 . . 57 Arg N 25255 1
211 . 1 1 58 58 GLN H H 1 . 8.35 0.02 . . 58 Gln H 25255 1
212 . 1 1 58 58 GLN C C 13 . 175.59 0.07 . . 58 Gln C 25255 1
213 . 1 1 58 58 GLN CA C 13 . 55.87 0.08 . . 58 Gln CA 25255 1
214 . 1 1 58 58 GLN N N 15 . 121.78 0.20 . . 58 Gln N 25255 1
215 . 1 1 59 59 TYR H H 1 . 8.24 0.04 . . 59 Tyr H 25255 1
216 . 1 1 59 59 TYR C C 13 . 175.48 0.04 . . 59 Tyr C 25255 1
217 . 1 1 59 59 TYR CA C 13 . 57.86 0.02 . . 59 Tyr CA 25255 1
218 . 1 1 59 59 TYR N N 15 . 120.87 0.24 . . 59 Tyr N 25255 1
219 . 1 1 60 60 ASP H H 1 . 8.28 0.00 . . 60 Asp H 25255 1
22 . 1 1 7 7 LYS N N 15 . 123.64 0.15 . . 7 Lys N 25255 1
220 . 1 1 60 60 ASP C C 13 . 175.84 0.02 . . 60 Asp C 25255 1
221 . 1 1 60 60 ASP CA C 13 . 54.46 0.03 . . 60 Asp CA 25255 1
222 . 1 1 60 60 ASP N N 15 . 121.24 0.13 . . 60 Asp N 25255 1
223 . 1 1 61 61 GLN H H 1 . 8.17 0.02 . . 61 Gln H 25255 1
224 . 1 1 61 61 GLN C C 13 . 175.51 0.08 . . 61 Gln C 25255 1
225 . 1 1 61 61 GLN CA C 13 . 55.65 0.03 . . 61 Gln CA 25255 1
226 . 1 1 61 61 GLN N N 15 . 119.98 0.33 . . 61 Gln N 25255 1
227 . 1 1 62 62 ILE H H 1 . 8.17 0.02 . . 62 Ile H 25255 1
228 . 1 1 62 62 ILE N N 15 . 123.91 0.08 . . 62 Ile N 25255 1
229 . 1 1 63 63 PRO C C 13 . 176.83 0.08 . . 63 Pro C 25255 1
23 . 1 1 8 8 ARG H H 1 . 8.11 0.04 . . 8 Arg H 25255 1
230 . 1 1 63 63 PRO CA C 13 . 63.22 0.02 . . 63 Pro CA 25255 1
231 . 1 1 64 64 VAL H H 1 . 8.19 0.01 . . 64 Val H 25255 1
232 . 1 1 64 64 VAL C C 13 . 176.21 0.10 . . 64 Val C 25255 1
233 . 1 1 64 64 VAL CA C 13 . 62.6 0.12 . . 64 Val CA 25255 1
234 . 1 1 64 64 VAL N N 15 . 120.62 0.16 . . 64 Val N 25255 1
235 . 1 1 65 65 GLU H H 1 . 8.51 0.00 . . 65 Glu H 25255 1
236 . 1 1 65 65 GLU C C 13 . 176.3 0.01 . . 65 Glu C 25255 1
237 . 1 1 65 65 GLU CA C 13 . 56.61 0.08 . . 65 Glu CA 25255 1
238 . 1 1 65 65 GLU N N 15 . 124.16 0.06 . . 65 Glu N 25255 1
239 . 1 1 66 66 ILE H H 1 . 8.18 0.03 . . 66 Ile H 25255 1
24 . 1 1 8 8 ARG N N 15 . 123.66 0.13 . . 8 Arg N 25255 1
240 . 1 1 66 66 ILE C C 13 . 176.03 0.09 . . 66 Ile C 25255 1
241 . 1 1 66 66 ILE CA C 13 . 61.02 0.08 . . 66 Ile CA 25255 1
242 . 1 1 66 66 ILE N N 15 . 122.46 0.25 . . 66 Ile N 25255 1
243 . 1 1 67 67 ALA H H 1 . 8.39 0.04 . . 67 Ala H 25255 1
244 . 1 1 67 67 ALA C C 13 . 178.17 0.06 . . 67 Ala C 25255 1
245 . 1 1 67 67 ALA CA C 13 . 52.89 0.07 . . 67 Ala CA 25255 1
246 . 1 1 67 67 ALA N N 15 . 128.01 0.24 . . 67 Ala N 25255 1
247 . 1 1 68 68 GLY H H 1 . 8.36 0.01 . . 68 Gly H 25255 1
248 . 1 1 68 68 GLY C C 13 . 174.02 0.03 . . 68 Gly C 25255 1
249 . 1 1 68 68 GLY CA C 13 . 45.3 0.02 . . 68 Gly CA 25255 1
25 . 1 1 9 9 PRO C C 13 . 176.53 0.07 . . 9 Pro C 25255 1
250 . 1 1 68 68 GLY N N 15 . 107.82 0.08 . . 68 Gly N 25255 1
251 . 1 1 69 69 HIS H H 1 . 8.26 0.02 . . 69 His H 25255 1
252 . 1 1 69 69 HIS C C 13 . 174.41 0.24 . . 69 His C 25255 1
253 . 1 1 69 69 HIS CA C 13 . 55.4 0.26 . . 69 His CA 25255 1
254 . 1 1 69 69 HIS N N 15 . 118.13 0.27 . . 69 His N 25255 1
255 . 1 1 70 70 LYS H H 1 . 8.36 0.04 . . 70 Lys H 25255 1
256 . 1 1 70 70 LYS C C 13 . 176 0.03 . . 70 Lys C 25255 1
257 . 1 1 70 70 LYS CA C 13 . 56.31 0.03 . . 70 Lys CA 25255 1
258 . 1 1 70 70 LYS N N 15 . 122.98 0.09 . . 70 Lys N 25255 1
259 . 1 1 71 71 ALA H H 1 . 8.41 0.02 . . 71 Ala H 25255 1
26 . 1 1 9 9 PRO CA C 13 . 62.96 0.03 . . 9 Pro CA 25255 1
260 . 1 1 71 71 ALA C C 13 . 177.55 0.08 . . 71 Ala C 25255 1
261 . 1 1 71 71 ALA CA C 13 . 52.34 0.07 . . 71 Ala CA 25255 1
262 . 1 1 71 71 ALA N N 15 . 126.11 0.17 . . 71 Ala N 25255 1
263 . 1 1 72 72 ILE H H 1 . 8.18 0.02 . . 72 Ile H 25255 1
264 . 1 1 72 72 ILE C C 13 . 176.69 0.13 . . 72 Ile C 25255 1
265 . 1 1 72 72 ILE CA C 13 . 61.3 0.07 . . 72 Ile CA 25255 1
266 . 1 1 72 72 ILE N N 15 . 120.67 0.09 . . 72 Ile N 25255 1
267 . 1 1 73 73 GLY H H 1 . 8.46 0.01 . . 73 Gly H 25255 1
268 . 1 1 73 73 GLY C C 13 . 174.06 0.05 . . 73 Gly C 25255 1
269 . 1 1 73 73 GLY CA C 13 . 45.27 0.03 . . 73 Gly CA 25255 1
27 . 1 1 10 10 LEU H H 1 . 8.29 0.01 . . 10 Leu H 25255 1
270 . 1 1 73 73 GLY N N 15 . 112.73 0.09 . . 73 Gly N 25255 1
271 . 1 1 74 74 THR H H 1 . 8.05 0.01 . . 74 Thr H 25255 1
272 . 1 1 74 74 THR C C 13 . 174.37 0.04 . . 74 Thr C 25255 1
273 . 1 1 74 74 THR CA C 13 . 61.99 0.04 . . 74 Thr CA 25255 1
274 . 1 1 74 74 THR N N 15 . 114.56 0.03 . . 74 Thr N 25255 1
275 . 1 1 75 75 VAL H H 1 . 8.2 0.01 . . 75 Val H 25255 1
276 . 1 1 75 75 VAL C C 13 . 175.69 0.06 . . 75 Val C 25255 1
277 . 1 1 75 75 VAL CA C 13 . 62.28 0.05 . . 75 Val CA 25255 1
278 . 1 1 75 75 VAL N N 15 . 123.29 0.05 . . 75 Val N 25255 1
279 . 1 1 76 76 LEU H H 1 . 8.37 0.00 . . 76 Leu H 25255 1
28 . 1 1 10 10 LEU C C 13 . 177.29 0.06 . . 10 Leu C 25255 1
280 . 1 1 76 76 LEU C C 13 . 176.89 0.03 . . 76 Leu C 25255 1
281 . 1 1 76 76 LEU CA C 13 . 55.03 0.03 . . 76 Leu CA 25255 1
282 . 1 1 76 76 LEU N N 15 . 126.86 0.07 . . 76 Leu N 25255 1
283 . 1 1 77 77 VAL H H 1 . 8.14 0.01 . . 77 Val H 25255 1
284 . 1 1 77 77 VAL C C 13 . 176.08 0.04 . . 77 Val C 25255 1
285 . 1 1 77 77 VAL CA C 13 . 62.13 0.00 . . 77 Val CA 25255 1
286 . 1 1 77 77 VAL N N 15 . 121.77 0.08 . . 77 Val N 25255 1
287 . 1 1 78 78 GLY H H 1 . 8.28 0.00 . . 78 Gly H 25255 1
288 . 1 1 78 78 GLY N N 15 . 112.87 0.06 . . 78 Gly N 25255 1
289 . 1 1 79 79 PRO C C 13 . 177.07 0.01 . . 79 Pro C 25255 1
29 . 1 1 10 10 LEU CA C 13 . 55.31 0.08 . . 10 Leu CA 25255 1
290 . 1 1 79 79 PRO CA C 13 . 62.98 0.01 . . 79 Pro CA 25255 1
291 . 1 1 80 80 THR H H 1 . 8.29 0.01 . . 80 Thr H 25255 1
292 . 1 1 80 80 THR N N 15 . 117.62 0.05 . . 80 Thr N 25255 1
293 . 1 1 81 81 PRO C C 13 . 176.84 0.04 . . 81 Pro C 25255 1
294 . 1 1 81 81 PRO CA C 13 . 63.25 0.02 . . 81 Pro CA 25255 1
295 . 1 1 82 82 VAL H H 1 . 8.19 0.01 . . 82 Val H 25255 1
296 . 1 1 82 82 VAL C C 13 . 175.83 0.03 . . 82 Val C 25255 1
297 . 1 1 82 82 VAL CA C 13 . 62.43 0.06 . . 82 Val CA 25255 1
298 . 1 1 82 82 VAL N N 15 . 119.91 0.07 . . 82 Val N 25255 1
299 . 1 1 83 83 ASN H H 1 . 8.44 0.01 . . 83 Asn H 25255 1
3 . 1 1 3 3 ILE H H 1 . 8.39 0.01 . . 3 Ile H 25255 1
30 . 1 1 10 10 LEU N N 15 . 122.82 0.09 . . 10 Leu N 25255 1
300 . 1 1 83 83 ASN C C 13 . 174.86 0.03 . . 83 Asn C 25255 1
301 . 1 1 83 83 ASN CA C 13 . 53.14 0.06 . . 83 Asn CA 25255 1
302 . 1 1 83 83 ASN N N 15 . 121.98 0.10 . . 83 Asn N 25255 1
303 . 1 1 84 84 ILE H H 1 . 8.1 0.01 . . 84 Ile H 25255 1
304 . 1 1 84 84 ILE C C 13 . 176.17 0.03 . . 84 Ile C 25255 1
305 . 1 1 84 84 ILE CA C 13 . 61.22 0.05 . . 84 Ile CA 25255 1
306 . 1 1 84 84 ILE N N 15 . 121.53 0.09 . . 84 Ile N 25255 1
307 . 1 1 85 85 ILE H H 1 . 8.16 0.02 . . 85 Ile H 25255 1
308 . 1 1 85 85 ILE C C 13 . 176.8 0.03 . . 85 Ile C 25255 1
309 . 1 1 85 85 ILE CA C 13 . 61.48 0.04 . . 85 Ile CA 25255 1
31 . 1 1 11 11 VAL H H 1 . 8.15 0.3 . . 11 Val H 25255 1
310 . 1 1 85 85 ILE N N 15 . 124.83 0.11 . . 85 Ile N 25255 1
311 . 1 1 86 86 GLY H H 1 . 8.43 0.01 . . 86 Gly H 25255 1
312 . 1 1 86 86 GLY C C 13 . 174.17 0.06 . . 86 Gly C 25255 1
313 . 1 1 86 86 GLY CA C 13 . 45.41 0.06 . . 86 Gly CA 25255 1
314 . 1 1 86 86 GLY N N 15 . 112.75 0.08 . . 86 Gly N 25255 1
315 . 1 1 87 87 ARG H H 1 . 8.13 0.01 . . 87 Arg H 25255 1
316 . 1 1 87 87 ARG C C 13 . 176.05 0.08 . . 87 Arg C 25255 1
317 . 1 1 87 87 ARG CA C 13 . 56.34 0.08 . . 87 Arg CA 25255 1
318 . 1 1 87 87 ARG N N 15 . 120.42 0.08 . . 87 Arg N 25255 1
319 . 1 1 88 88 ASN H H 1 . 8.51 0.01 . . 88 Asn H 25255 1
32 . 1 1 11 11 VAL C C 13 . 175.93 0.06 . . 11 Val C 25255 1
320 . 1 1 88 88 ASN C C 13 . 175.17 0.05 . . 88 Asn C 25255 1
321 . 1 1 88 88 ASN CA C 13 . 53.46 0.03 . . 88 Asn CA 25255 1
322 . 1 1 88 88 ASN N N 15 . 119.46 0.15 . . 88 Asn N 25255 1
323 . 1 1 89 89 LEU H H 1 . 8.2 0.02 . . 89 Leu H 25255 1
324 . 1 1 89 89 LEU C C 13 . 177.45 0.06 . . 89 Leu C 25255 1
325 . 1 1 89 89 LEU CA C 13 . 55.55 0.05 . . 89 Leu CA 25255 1
326 . 1 1 89 89 LEU N N 15 . 122.36 0.15 . . 89 Leu N 25255 1
327 . 1 1 90 90 LEU H H 1 . 8.18 0.02 . . 90 Leu H 25255 1
328 . 1 1 90 90 LEU C C 13 . 177.62 0.06 . . 90 Leu C 25255 1
329 . 1 1 90 90 LEU CA C 13 . 55.48 0.05 . . 90 Leu CA 25255 1
33 . 1 1 11 11 VAL CA C 13 . 62.04 0.09 . . 11 Val CA 25255 1
330 . 1 1 90 90 LEU N N 15 . 121.71 0.17 . . 90 Leu N 25255 1
331 . 1 1 91 91 THR H H 1 . 7.93 0.02 . . 91 Thr H 25255 1
332 . 1 1 91 91 THR C C 13 . 174.39 0.04 . . 91 Thr C 25255 1
333 . 1 1 91 91 THR CA C 13 . 61.96 0.04 . . 91 Thr CA 25255 1
334 . 1 1 91 91 THR N N 15 . 113.82 0.17 . . 91 Thr N 25255 1
335 . 1 1 92 92 GLN H H 1 . 8.28 0.02 . . 92 Gln H 25255 1
336 . 1 1 92 92 GLN C C 13 . 175.8 0.09 . . 92 Gln C 25255 1
337 . 1 1 92 92 GLN CA C 13 . 55.79 0.02 . . 92 Gln CA 25255 1
338 . 1 1 92 92 GLN N N 15 . 122.61 0.10 . . 92 Gln N 25255 1
339 . 1 1 93 93 ILE H H 1 . 8.2 0.02 . . 93 Ile H 25255 1
34 . 1 1 11 11 VAL N N 15 . 121.42 0.15 . . 11 Val N 25255 1
340 . 1 1 93 93 ILE C C 13 . 176.74 0.03 . . 93 Ile C 25255 1
341 . 1 1 93 93 ILE CA C 13 . 61.51 0.04 . . 93 Ile CA 25255 1
342 . 1 1 93 93 ILE N N 15 . 122.39 0.10 . . 93 Ile N 25255 1
343 . 1 1 94 94 GLY H H 1 . 8.47 0.00 . . 94 Gly H 25255 1
344 . 1 1 94 94 GLY C C 13 . 173.09 0.27 . . 94 Gly C 25255 1
345 . 1 1 94 94 GLY CA C 13 . 45.25 0.07 . . 94 Gly CA 25255 1
346 . 1 1 94 94 GLY N N 15 . 113.55 0.27 . . 94 Gly N 25255 1
347 . 1 1 95 95 ALA H H 1 . 7.92 0.13 . . 95 Ala H 25255 1
348 . 1 1 95 95 ALA N N 15 . 127.78 2.05 . . 95 Ala N 25255 1
35 . 1 1 12 12 THR H H 1 . 8.27 0.02 . . 12 Thr H 25255 1
36 . 1 1 12 12 THR C C 13 . 174.16 0.05 . . 12 Thr C 25255 1
37 . 1 1 12 12 THR CA C 13 . 61.76 0.05 . . 12 Thr CA 25255 1
38 . 1 1 12 12 THR N N 15 . 119.03 0.14 . . 12 Thr N 25255 1
39 . 1 1 13 13 ILE H H 1 . 8.24 0.03 . . 13 Ile H 25255 1
4 . 1 1 3 3 ILE C C 13 . 176.15 0.03 . . 3 Ile C 25255 1
40 . 1 1 13 13 ILE C C 13 . 175.55 0.10 . . 13 Ile C 25255 1
41 . 1 1 13 13 ILE CA C 13 . 60.84 0.08 . . 13 Ile CA 25255 1
42 . 1 1 13 13 ILE N N 15 . 123.96 0.10 . . 13 Ile N 25255 1
43 . 1 1 14 14 ARG H H 1 . 8.41 0.01 . . 14 Arg H 25255 1
44 . 1 1 14 14 ARG C C 13 . 175.95 0.08 . . 14 Arg C 25255 1
45 . 1 1 14 14 ARG CA C 13 . 55.77 0.08 . . 14 Arg CA 25255 1
46 . 1 1 14 14 ARG N N 15 . 125.7 0.08 . . 14 Arg N 25255 1
47 . 1 1 15 15 ILE H H 1 . 8.32 0.01 . . 15 Ile H 25255 1
48 . 1 1 15 15 ILE C C 13 . 176.74 0.06 . . 15 Ile C 25255 1
49 . 1 1 15 15 ILE CA C 13 . 61.11 0.10 . . 15 Ile CA 25255 1
5 . 1 1 3 3 ILE CA C 13 . 61.14 0.05 . . 3 Ile CA 25255 1
50 . 1 1 15 15 ILE N N 15 . 123.61 0.18 . . 15 Ile N 25255 1
51 . 1 1 16 16 GLY H H 1 . 8.6 0.02 . . 16 Gly H 25255 1
52 . 1 1 16 16 GLY C C 13 . 174.75 0.03 . . 16 Gly C 25255 1
53 . 1 1 16 16 GLY CA C 13 . 45.54 0.04 . . 16 Gly CA 25255 1
54 . 1 1 16 16 GLY N N 15 . 113.86 0.16 . . 16 Gly N 25255 1
55 . 1 1 17 17 GLY H H 1 . 8.34 0.01 . . 17 Gly H 25255 1
56 . 1 1 17 17 GLY C C 13 . 174.17 0.06 . . 17 Gly C 25255 1
57 . 1 1 17 17 GLY CA C 13 . 45.38 0.04 . . 17 Gly CA 25255 1
58 . 1 1 17 17 GLY N N 15 . 108.6 0.08 . . 17 Gly N 25255 1
59 . 1 1 18 18 GLN H H 1 . 8.28 0.01 . . 18 Gln H 25255 1
6 . 1 1 3 3 ILE N N 15 . 123.43 0.07 . . 3 Ile N 25255 1
60 . 1 1 18 18 GLN C C 13 . 175.98 0.09 . . 18 Gln C 25255 1
61 . 1 1 18 18 GLN CA C 13 . 55.84 0.08 . . 18 Gln CA 25255 1
62 . 1 1 18 18 GLN N N 15 . 119.74 0.03 . . 18 Gln N 25255 1
63 . 1 1 19 19 LEU H H 1 . 8.32 0.01 . . 19 Leu H 25255 1
64 . 1 1 19 19 LEU C C 13 . 177.32 0.15 . . 19 Leu C 25255 1
65 . 1 1 19 19 LEU CA C 13 . 55.4 0.16 . . 19 Leu CA 25255 1
66 . 1 1 19 19 LEU N N 15 . 123.51 0.08 . . 19 Leu N 25255 1
67 . 1 1 20 20 LYS H H 1 . 8.35 0.03 . . 20 Lys H 25255 1
68 . 1 1 20 20 LYS C C 13 . 176.47 0.15 . . 20 Lys C 25255 1
69 . 1 1 20 20 LYS CA C 13 . 56.48 0.16 . . 20 Lys CA 25255 1
7 . 1 1 4 4 THR H H 1 . 8.27 0.02 . . 4 Thr H 25255 1
70 . 1 1 20 20 LYS N N 15 . 122.35 0.11 . . 20 Lys N 25255 1
71 . 1 1 21 21 GLU H H 1 . 8.38 0.02 . . 21 Glu H 25255 1
72 . 1 1 21 21 GLU C C 13 . 176.24 0.14 . . 21 Glu C 25255 1
73 . 1 1 21 21 GLU CA C 13 . 56.88 0.14 . . 21 Glu CA 25255 1
74 . 1 1 21 21 GLU N N 15 . 121.56 0.11 . . 21 Glu N 25255 1
75 . 1 1 22 22 ALA H H 1 . 8.29 0.04 . . 22 Ala H 25255 1
76 . 1 1 22 22 ALA C C 13 . 177.47 0.18 . . 22 Ala C 25255 1
77 . 1 1 22 22 ALA CA C 13 . 52.61 0.09 . . 22 Ala CA 25255 1
78 . 1 1 22 22 ALA N N 15 . 124.82 0.16 . . 22 Ala N 25255 1
79 . 1 1 23 23 LEU H H 1 . 8.11 0.01 . . 23 Leu H 25255 1
8 . 1 1 4 4 THR C C 13 . 174.08 0.04 . . 4 Thr C 25255 1
80 . 1 1 23 23 LEU C C 13 . 177.31 0.09 . . 23 Leu C 25255 1
81 . 1 1 23 23 LEU CA C 13 . 55.14 0.08 . . 23 Leu CA 25255 1
82 . 1 1 23 23 LEU N N 15 . 120.79 0.15 . . 23 Leu N 25255 1
83 . 1 1 24 24 LEU H H 1 . 8.12 0.03 . . 24 Leu H 25255 1
84 . 1 1 24 24 LEU C C 13 . 177.01 0.07 . . 24 Leu C 25255 1
85 . 1 1 24 24 LEU CA C 13 . 55.19 0.06 . . 24 Leu CA 25255 1
86 . 1 1 24 24 LEU N N 15 . 122.33 0.19 . . 24 Leu N 25255 1
87 . 1 1 25 25 ASN H H 1 . 8.43 0.02 . . 25 Asn H 25255 1
88 . 1 1 25 25 ASN C C 13 . 175.48 0.02 . . 25 Asn C 25255 1
89 . 1 1 25 25 ASN CA C 13 . 53.23 0.06 . . 25 Asn CA 25255 1
9 . 1 1 4 4 THR CA C 13 . 61.78 0.00 . . 4 Thr CA 25255 1
90 . 1 1 25 25 ASN N N 15 . 119.54 0.09 . . 25 Asn N 25255 1
91 . 1 1 26 26 THR H H 1 . 8.15 0.03 . . 26 Thr H 25255 1
92 . 1 1 26 26 THR C C 13 . 175.28 0.03 . . 26 Thr C 25255 1
93 . 1 1 26 26 THR CA C 13 . 62.07 0.03 . . 26 Thr CA 25255 1
94 . 1 1 26 26 THR N N 15 . 113.66 0.02 . . 26 Thr N 25255 1
95 . 1 1 27 27 GLY H H 1 . 8.44 0.02 . . 27 Gly H 25255 1
96 . 1 1 27 27 GLY C C 13 . 174 0.07 . . 27 Gly C 25255 1
97 . 1 1 27 27 GLY CA C 13 . 45.37 0.05 . . 27 Gly CA 25255 1
98 . 1 1 27 27 GLY N N 15 . 111.03 0.13 . . 27 Gly N 25255 1
99 . 1 1 28 28 ALA H H 1 . 8.12 0.01 . . 28 Ala H 25255 1
stop_
save_