data_52908
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52908
_Entry.Title
;
Experimental and calculated dynamic data for spr1226
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2025-02-13
_Entry.Accession_date 2025-02-13
_Entry.Last_release_date 2025-02-13
_Entry.Original_release_date 2025-02-13
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID .
_Entry.Generated_software_label .
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 Dmitry Lesovoy . . . . 52908
2 Konstantin Roshchin . . . . 52908
3 Benedetta Sala . M. . . 52908
4 Tatyana Sandalova . . . . 52908
5 Adnane Achour . . . . 52908
6 Tatiana Agback . . . . 52908
7 Vladislav Orekhov . . . . 52908
8 Peter Agback . . . . 52908
stop_
loop_
_Entry_src.ID
_Entry_src.Project_name
_Entry_src.Organization_full_name
_Entry_src.Organization_initials
_Entry_src.Entry_ID
1 . 'Karolinska Institute' . 52908
2 . 'Swedish University of Agricultural Sciences' . 52908
3 . 'Shemyakin-Ovchinnikov Institute of Bioorganic Chemistry RAS' . 52908
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
heteronucl_NOEs 2 52908
heteronucl_T1_relaxation 2 52908
order_parameters 1 52908
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'T1 relaxation values' 511 52908
'heteronuclear NOE values' 511 52908
'order parameters' 289 52908
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2025-03-13 . original BMRB . 52908
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 52556 'Chemical shift assignment' 52908
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52908
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID .
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
Accurate Protein Dynamic Conformational Ensembles: Combining AlphaFold, MD and Amide 15N(1H) NMR Relaxation.
;
_Citation.Status submitted
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Dmitri Lesovoy . . . . 52908 1
2 Konstantin Roshchin . . . . 52908 1
3 Benedetta Sala . M. . . 52908 1
4 Tatyana Sandalova . . . . 52908 1
5 Adnane Achour . . . . 52908 1
6 Tatiana Agback . . . . 52908 1
7 Vladislav Orekhov . . . . 52908 1
8 Peter Agback . . . . 52908 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
AlphaFold 52908 1
'MD calculations' 52908 1
'conformational ensembles' 52908 1
'protein dynamics' 52908 1
spr1226 52908 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52908
_Assembly.ID 1
_Assembly.Name SPR1226
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 SPR1226 1 $entity_1 . . yes native no no . . . 52908 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52908
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GQVEVFNGQDTRDGVNILIM
GTDGRIGQNSVETRTDSIMV
LNVGGSDKKMKLVSFMRDNL
VYIDGYSQVINGRKQTDNKL
NVAYELGEQEGQKGAEMVRQ
VLKDNFDLDIKYYALVDFQA
FATAIDTLFPDGVTIDAQFS
TLNGRPLTEATVGDDLYATE
TESPTQTIKVGKQQMNGSTL
LNYARFRDDDEADYGRTKRQ
QQVLTAILEQIKDPTKLFTG
SEALGKVFAMTSTNVPYTFL
LTNGLSVLDGAKNGIEKLTI
PELGDWVDAYDVYGGLGLLV
DQNKYQTKLAQMGLR
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 295
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . GLY . 52908 1
2 . GLN . 52908 1
3 . VAL . 52908 1
4 . GLU . 52908 1
5 . VAL . 52908 1
6 . PHE . 52908 1
7 . ASN . 52908 1
8 . GLY . 52908 1
9 . GLN . 52908 1
10 . ASP . 52908 1
11 . THR . 52908 1
12 . ARG . 52908 1
13 . ASP . 52908 1
14 . GLY . 52908 1
15 . VAL . 52908 1
16 . ASN . 52908 1
17 . ILE . 52908 1
18 . LEU . 52908 1
19 . ILE . 52908 1
20 . MET . 52908 1
21 . GLY . 52908 1
22 . THR . 52908 1
23 . ASP . 52908 1
24 . GLY . 52908 1
25 . ARG . 52908 1
26 . ILE . 52908 1
27 . GLY . 52908 1
28 . GLN . 52908 1
29 . ASN . 52908 1
30 . SER . 52908 1
31 . VAL . 52908 1
32 . GLU . 52908 1
33 . THR . 52908 1
34 . ARG . 52908 1
35 . THR . 52908 1
36 . ASP . 52908 1
37 . SER . 52908 1
38 . ILE . 52908 1
39 . MET . 52908 1
40 . VAL . 52908 1
41 . LEU . 52908 1
42 . ASN . 52908 1
43 . VAL . 52908 1
44 . GLY . 52908 1
45 . GLY . 52908 1
46 . SER . 52908 1
47 . ASP . 52908 1
48 . LYS . 52908 1
49 . LYS . 52908 1
50 . MET . 52908 1
51 . LYS . 52908 1
52 . LEU . 52908 1
53 . VAL . 52908 1
54 . SER . 52908 1
55 . PHE . 52908 1
56 . MET . 52908 1
57 . ARG . 52908 1
58 . ASP . 52908 1
59 . ASN . 52908 1
60 . LEU . 52908 1
61 . VAL . 52908 1
62 . TYR . 52908 1
63 . ILE . 52908 1
64 . ASP . 52908 1
65 . GLY . 52908 1
66 . TYR . 52908 1
67 . SER . 52908 1
68 . GLN . 52908 1
69 . VAL . 52908 1
70 . ILE . 52908 1
71 . ASN . 52908 1
72 . GLY . 52908 1
73 . ARG . 52908 1
74 . LYS . 52908 1
75 . GLN . 52908 1
76 . THR . 52908 1
77 . ASP . 52908 1
78 . ASN . 52908 1
79 . LYS . 52908 1
80 . LEU . 52908 1
81 . ASN . 52908 1
82 . VAL . 52908 1
83 . ALA . 52908 1
84 . TYR . 52908 1
85 . GLU . 52908 1
86 . LEU . 52908 1
87 . GLY . 52908 1
88 . GLU . 52908 1
89 . GLN . 52908 1
90 . GLU . 52908 1
91 . GLY . 52908 1
92 . GLN . 52908 1
93 . LYS . 52908 1
94 . GLY . 52908 1
95 . ALA . 52908 1
96 . GLU . 52908 1
97 . MET . 52908 1
98 . VAL . 52908 1
99 . ARG . 52908 1
100 . GLN . 52908 1
101 . VAL . 52908 1
102 . LEU . 52908 1
103 . LYS . 52908 1
104 . ASP . 52908 1
105 . ASN . 52908 1
106 . PHE . 52908 1
107 . ASP . 52908 1
108 . LEU . 52908 1
109 . ASP . 52908 1
110 . ILE . 52908 1
111 . LYS . 52908 1
112 . TYR . 52908 1
113 . TYR . 52908 1
114 . ALA . 52908 1
115 . LEU . 52908 1
116 . VAL . 52908 1
117 . ASP . 52908 1
118 . PHE . 52908 1
119 . GLN . 52908 1
120 . ALA . 52908 1
121 . PHE . 52908 1
122 . ALA . 52908 1
123 . THR . 52908 1
124 . ALA . 52908 1
125 . ILE . 52908 1
126 . ASP . 52908 1
127 . THR . 52908 1
128 . LEU . 52908 1
129 . PHE . 52908 1
130 . PRO . 52908 1
131 . ASP . 52908 1
132 . GLY . 52908 1
133 . VAL . 52908 1
134 . THR . 52908 1
135 . ILE . 52908 1
136 . ASP . 52908 1
137 . ALA . 52908 1
138 . GLN . 52908 1
139 . PHE . 52908 1
140 . SER . 52908 1
141 . THR . 52908 1
142 . LEU . 52908 1
143 . ASN . 52908 1
144 . GLY . 52908 1
145 . ARG . 52908 1
146 . PRO . 52908 1
147 . LEU . 52908 1
148 . THR . 52908 1
149 . GLU . 52908 1
150 . ALA . 52908 1
151 . THR . 52908 1
152 . VAL . 52908 1
153 . GLY . 52908 1
154 . ASP . 52908 1
155 . ASP . 52908 1
156 . LEU . 52908 1
157 . TYR . 52908 1
158 . ALA . 52908 1
159 . THR . 52908 1
160 . GLU . 52908 1
161 . THR . 52908 1
162 . GLU . 52908 1
163 . SER . 52908 1
164 . PRO . 52908 1
165 . THR . 52908 1
166 . GLN . 52908 1
167 . THR . 52908 1
168 . ILE . 52908 1
169 . LYS . 52908 1
170 . VAL . 52908 1
171 . GLY . 52908 1
172 . LYS . 52908 1
173 . GLN . 52908 1
174 . GLN . 52908 1
175 . MET . 52908 1
176 . ASN . 52908 1
177 . GLY . 52908 1
178 . SER . 52908 1
179 . THR . 52908 1
180 . LEU . 52908 1
181 . LEU . 52908 1
182 . ASN . 52908 1
183 . TYR . 52908 1
184 . ALA . 52908 1
185 . ARG . 52908 1
186 . PHE . 52908 1
187 . ARG . 52908 1
188 . ASP . 52908 1
189 . ASP . 52908 1
190 . ASP . 52908 1
191 . GLU . 52908 1
192 . ALA . 52908 1
193 . ASP . 52908 1
194 . TYR . 52908 1
195 . GLY . 52908 1
196 . ARG . 52908 1
197 . THR . 52908 1
198 . LYS . 52908 1
199 . ARG . 52908 1
200 . GLN . 52908 1
201 . GLN . 52908 1
202 . GLN . 52908 1
203 . VAL . 52908 1
204 . LEU . 52908 1
205 . THR . 52908 1
206 . ALA . 52908 1
207 . ILE . 52908 1
208 . LEU . 52908 1
209 . GLU . 52908 1
210 . GLN . 52908 1
211 . ILE . 52908 1
212 . LYS . 52908 1
213 . ASP . 52908 1
214 . PRO . 52908 1
215 . THR . 52908 1
216 . LYS . 52908 1
217 . LEU . 52908 1
218 . PHE . 52908 1
219 . THR . 52908 1
220 . GLY . 52908 1
221 . SER . 52908 1
222 . GLU . 52908 1
223 . ALA . 52908 1
224 . LEU . 52908 1
225 . GLY . 52908 1
226 . LYS . 52908 1
227 . VAL . 52908 1
228 . PHE . 52908 1
229 . ALA . 52908 1
230 . MET . 52908 1
231 . THR . 52908 1
232 . SER . 52908 1
233 . THR . 52908 1
234 . ASN . 52908 1
235 . VAL . 52908 1
236 . PRO . 52908 1
237 . TYR . 52908 1
238 . THR . 52908 1
239 . PHE . 52908 1
240 . LEU . 52908 1
241 . LEU . 52908 1
242 . THR . 52908 1
243 . ASN . 52908 1
244 . GLY . 52908 1
245 . LEU . 52908 1
246 . SER . 52908 1
247 . VAL . 52908 1
248 . LEU . 52908 1
249 . ASP . 52908 1
250 . GLY . 52908 1
251 . ALA . 52908 1
252 . LYS . 52908 1
253 . ASN . 52908 1
254 . GLY . 52908 1
255 . ILE . 52908 1
256 . GLU . 52908 1
257 . LYS . 52908 1
258 . LEU . 52908 1
259 . THR . 52908 1
260 . ILE . 52908 1
261 . PRO . 52908 1
262 . GLU . 52908 1
263 . LEU . 52908 1
264 . GLY . 52908 1
265 . ASP . 52908 1
266 . TRP . 52908 1
267 . VAL . 52908 1
268 . ASP . 52908 1
269 . ALA . 52908 1
270 . TYR . 52908 1
271 . ASP . 52908 1
272 . VAL . 52908 1
273 . TYR . 52908 1
274 . GLY . 52908 1
275 . GLY . 52908 1
276 . LEU . 52908 1
277 . GLY . 52908 1
278 . LEU . 52908 1
279 . LEU . 52908 1
280 . VAL . 52908 1
281 . ASP . 52908 1
282 . GLN . 52908 1
283 . ASN . 52908 1
284 . LYS . 52908 1
285 . TYR . 52908 1
286 . GLN . 52908 1
287 . THR . 52908 1
288 . LYS . 52908 1
289 . LEU . 52908 1
290 . ALA . 52908 1
291 . GLN . 52908 1
292 . MET . 52908 1
293 . GLY . 52908 1
294 . LEU . 52908 1
295 . ARG . 52908 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 52908 1
. GLN 2 2 52908 1
. VAL 3 3 52908 1
. GLU 4 4 52908 1
. VAL 5 5 52908 1
. PHE 6 6 52908 1
. ASN 7 7 52908 1
. GLY 8 8 52908 1
. GLN 9 9 52908 1
. ASP 10 10 52908 1
. THR 11 11 52908 1
. ARG 12 12 52908 1
. ASP 13 13 52908 1
. GLY 14 14 52908 1
. VAL 15 15 52908 1
. ASN 16 16 52908 1
. ILE 17 17 52908 1
. LEU 18 18 52908 1
. ILE 19 19 52908 1
. MET 20 20 52908 1
. GLY 21 21 52908 1
. THR 22 22 52908 1
. ASP 23 23 52908 1
. GLY 24 24 52908 1
. ARG 25 25 52908 1
. ILE 26 26 52908 1
. GLY 27 27 52908 1
. GLN 28 28 52908 1
. ASN 29 29 52908 1
. SER 30 30 52908 1
. VAL 31 31 52908 1
. GLU 32 32 52908 1
. THR 33 33 52908 1
. ARG 34 34 52908 1
. THR 35 35 52908 1
. ASP 36 36 52908 1
. SER 37 37 52908 1
. ILE 38 38 52908 1
. MET 39 39 52908 1
. VAL 40 40 52908 1
. LEU 41 41 52908 1
. ASN 42 42 52908 1
. VAL 43 43 52908 1
. GLY 44 44 52908 1
. GLY 45 45 52908 1
. SER 46 46 52908 1
. ASP 47 47 52908 1
. LYS 48 48 52908 1
. LYS 49 49 52908 1
. MET 50 50 52908 1
. LYS 51 51 52908 1
. LEU 52 52 52908 1
. VAL 53 53 52908 1
. SER 54 54 52908 1
. PHE 55 55 52908 1
. MET 56 56 52908 1
. ARG 57 57 52908 1
. ASP 58 58 52908 1
. ASN 59 59 52908 1
. LEU 60 60 52908 1
. VAL 61 61 52908 1
. TYR 62 62 52908 1
. ILE 63 63 52908 1
. ASP 64 64 52908 1
. GLY 65 65 52908 1
. TYR 66 66 52908 1
. SER 67 67 52908 1
. GLN 68 68 52908 1
. VAL 69 69 52908 1
. ILE 70 70 52908 1
. ASN 71 71 52908 1
. GLY 72 72 52908 1
. ARG 73 73 52908 1
. LYS 74 74 52908 1
. GLN 75 75 52908 1
. THR 76 76 52908 1
. ASP 77 77 52908 1
. ASN 78 78 52908 1
. LYS 79 79 52908 1
. LEU 80 80 52908 1
. ASN 81 81 52908 1
. VAL 82 82 52908 1
. ALA 83 83 52908 1
. TYR 84 84 52908 1
. GLU 85 85 52908 1
. LEU 86 86 52908 1
. GLY 87 87 52908 1
. GLU 88 88 52908 1
. GLN 89 89 52908 1
. GLU 90 90 52908 1
. GLY 91 91 52908 1
. GLN 92 92 52908 1
. LYS 93 93 52908 1
. GLY 94 94 52908 1
. ALA 95 95 52908 1
. GLU 96 96 52908 1
. MET 97 97 52908 1
. VAL 98 98 52908 1
. ARG 99 99 52908 1
. GLN 100 100 52908 1
. VAL 101 101 52908 1
. LEU 102 102 52908 1
. LYS 103 103 52908 1
. ASP 104 104 52908 1
. ASN 105 105 52908 1
. PHE 106 106 52908 1
. ASP 107 107 52908 1
. LEU 108 108 52908 1
. ASP 109 109 52908 1
. ILE 110 110 52908 1
. LYS 111 111 52908 1
. TYR 112 112 52908 1
. TYR 113 113 52908 1
. ALA 114 114 52908 1
. LEU 115 115 52908 1
. VAL 116 116 52908 1
. ASP 117 117 52908 1
. PHE 118 118 52908 1
. GLN 119 119 52908 1
. ALA 120 120 52908 1
. PHE 121 121 52908 1
. ALA 122 122 52908 1
. THR 123 123 52908 1
. ALA 124 124 52908 1
. ILE 125 125 52908 1
. ASP 126 126 52908 1
. THR 127 127 52908 1
. LEU 128 128 52908 1
. PHE 129 129 52908 1
. PRO 130 130 52908 1
. ASP 131 131 52908 1
. GLY 132 132 52908 1
. VAL 133 133 52908 1
. THR 134 134 52908 1
. ILE 135 135 52908 1
. ASP 136 136 52908 1
. ALA 137 137 52908 1
. GLN 138 138 52908 1
. PHE 139 139 52908 1
. SER 140 140 52908 1
. THR 141 141 52908 1
. LEU 142 142 52908 1
. ASN 143 143 52908 1
. GLY 144 144 52908 1
. ARG 145 145 52908 1
. PRO 146 146 52908 1
. LEU 147 147 52908 1
. THR 148 148 52908 1
. GLU 149 149 52908 1
. ALA 150 150 52908 1
. THR 151 151 52908 1
. VAL 152 152 52908 1
. GLY 153 153 52908 1
. ASP 154 154 52908 1
. ASP 155 155 52908 1
. LEU 156 156 52908 1
. TYR 157 157 52908 1
. ALA 158 158 52908 1
. THR 159 159 52908 1
. GLU 160 160 52908 1
. THR 161 161 52908 1
. GLU 162 162 52908 1
. SER 163 163 52908 1
. PRO 164 164 52908 1
. THR 165 165 52908 1
. GLN 166 166 52908 1
. THR 167 167 52908 1
. ILE 168 168 52908 1
. LYS 169 169 52908 1
. VAL 170 170 52908 1
. GLY 171 171 52908 1
. LYS 172 172 52908 1
. GLN 173 173 52908 1
. GLN 174 174 52908 1
. MET 175 175 52908 1
. ASN 176 176 52908 1
. GLY 177 177 52908 1
. SER 178 178 52908 1
. THR 179 179 52908 1
. LEU 180 180 52908 1
. LEU 181 181 52908 1
. ASN 182 182 52908 1
. TYR 183 183 52908 1
. ALA 184 184 52908 1
. ARG 185 185 52908 1
. PHE 186 186 52908 1
. ARG 187 187 52908 1
. ASP 188 188 52908 1
. ASP 189 189 52908 1
. ASP 190 190 52908 1
. GLU 191 191 52908 1
. ALA 192 192 52908 1
. ASP 193 193 52908 1
. TYR 194 194 52908 1
. GLY 195 195 52908 1
. ARG 196 196 52908 1
. THR 197 197 52908 1
. LYS 198 198 52908 1
. ARG 199 199 52908 1
. GLN 200 200 52908 1
. GLN 201 201 52908 1
. GLN 202 202 52908 1
. VAL 203 203 52908 1
. LEU 204 204 52908 1
. THR 205 205 52908 1
. ALA 206 206 52908 1
. ILE 207 207 52908 1
. LEU 208 208 52908 1
. GLU 209 209 52908 1
. GLN 210 210 52908 1
. ILE 211 211 52908 1
. LYS 212 212 52908 1
. ASP 213 213 52908 1
. PRO 214 214 52908 1
. THR 215 215 52908 1
. LYS 216 216 52908 1
. LEU 217 217 52908 1
. PHE 218 218 52908 1
. THR 219 219 52908 1
. GLY 220 220 52908 1
. SER 221 221 52908 1
. GLU 222 222 52908 1
. ALA 223 223 52908 1
. LEU 224 224 52908 1
. GLY 225 225 52908 1
. LYS 226 226 52908 1
. VAL 227 227 52908 1
. PHE 228 228 52908 1
. ALA 229 229 52908 1
. MET 230 230 52908 1
. THR 231 231 52908 1
. SER 232 232 52908 1
. THR 233 233 52908 1
. ASN 234 234 52908 1
. VAL 235 235 52908 1
. PRO 236 236 52908 1
. TYR 237 237 52908 1
. THR 238 238 52908 1
. PHE 239 239 52908 1
. LEU 240 240 52908 1
. LEU 241 241 52908 1
. THR 242 242 52908 1
. ASN 243 243 52908 1
. GLY 244 244 52908 1
. LEU 245 245 52908 1
. SER 246 246 52908 1
. VAL 247 247 52908 1
. LEU 248 248 52908 1
. ASP 249 249 52908 1
. GLY 250 250 52908 1
. ALA 251 251 52908 1
. LYS 252 252 52908 1
. ASN 253 253 52908 1
. GLY 254 254 52908 1
. ILE 255 255 52908 1
. GLU 256 256 52908 1
. LYS 257 257 52908 1
. LEU 258 258 52908 1
. THR 259 259 52908 1
. ILE 260 260 52908 1
. PRO 261 261 52908 1
. GLU 262 262 52908 1
. LEU 263 263 52908 1
. GLY 264 264 52908 1
. ASP 265 265 52908 1
. TRP 266 266 52908 1
. VAL 267 267 52908 1
. ASP 268 268 52908 1
. ALA 269 269 52908 1
. TYR 270 270 52908 1
. ASP 271 271 52908 1
. VAL 272 272 52908 1
. TYR 273 273 52908 1
. GLY 274 274 52908 1
. GLY 275 275 52908 1
. LEU 276 276 52908 1
. GLY 277 277 52908 1
. LEU 278 278 52908 1
. LEU 279 279 52908 1
. VAL 280 280 52908 1
. ASP 281 281 52908 1
. GLN 282 282 52908 1
. ASN 283 283 52908 1
. LYS 284 284 52908 1
. TYR 285 285 52908 1
. GLN 286 286 52908 1
. THR 287 287 52908 1
. LYS 288 288 52908 1
. LEU 289 289 52908 1
. ALA 290 290 52908 1
. GLN 291 291 52908 1
. MET 292 292 52908 1
. GLY 293 293 52908 1
. LEU 294 294 52908 1
. ARG 295 295 52908 1
stop_
save_
####################
# Natural source #
####################
save_natural_source_1
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source_1
_Entity_natural_src_list.Entry_ID 52908
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . 52908 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source_1
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source_1
_Entity_experimental_src_list.Entry_ID 52908
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28 . . . 52908 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52908
_Sample.ID 1
_Sample.Name sample1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 spr1226 '[U-99% 13C; U-99% 15N; U-99% 2H]' . . 1 $entity_1 . . 0.7 . . mM 0.01 . . . 52908 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 52908
_Sample.ID 2
_Sample.Name sample2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 spr1226 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.7 . . mM 0.01 . . . 52908 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 52908
_Sample.ID 3
_Sample.Name sample3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 spr1226 '[U-75% 13C; U-75% 15N; U-75% 2H]' . . 1 $entity_1 . . 1.0 . . mM 0.01 . . . 52908 3
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 52908
_Sample_condition_list.ID 1
_Sample_condition_list.Name normal
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.15 0.001 M 52908 1
pH 6.8 0.1 pH 52908 1
pressure 1 . atm 52908 1
temperature 308 0.1 K 52908 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52908
_Software.ID 1
_Software.Type .
_Software.Name TOPSPIN
_Software.Version 3.5pl7
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 52908 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 52908
_Software.ID 2
_Software.Type .
_Software.Name CcpNMR
_Software.Version 2.2
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52908 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 52908
_Software.ID 3
_Software.Type .
_Software.Name Mathematica
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'data analysis' . 52908 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 52908
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name cryo
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list_1
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list_1
_Experiment_list.Entry_ID 52908
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N TROSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52908 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID 52908
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name DSS
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 . . . . . 52908 1
H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52908 1
N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10133356 . . . . . 52908 1
stop_
save_
#########################
# Other kinds of data #
#########################
save_other_data_types_1
_Other_data_type_list.Sf_category other_data_types
_Other_data_type_list.Sf_framecode other_data_types_1
_Other_data_type_list.Entry_ID 52908
_Other_data_type_list.ID 1
_Other_data_type_list.Name 'experimental H2'
_Other_data_type_list.Definition 'experimentally determined H2'
_Other_data_type_list.Sample_condition_list_ID 1
_Other_data_type_list.Sample_condition_list_label $sample_conditions_1
_Other_data_type_list.Chem_shift_reference_ID .
_Other_data_type_list.Chem_shift_reference_label .
_Other_data_type_list.Details 'experimentally determined H2'
_Other_data_type_list.Text_data_format text
_Other_data_type_list.Text_data
;
seqid resid H2 error
1 Gly -13.92 1.80
2 Gln
3 Val -8.83 0.28
4 Glu -8.18 0.32
5 Val -10.38 0.29
6 Phe -12.44 0.39
7 Asn -14.04 0.43
8 Gly -12.4 0.19
9 Gln -12.7 0.41
10 Asp -13.16 0.30
11 Thr -14.42 0.15
12 Arg -13.2 0.32
13 Asp -14.31 0.53
14 Gly -12.87 0.19
15 Val -13.99 0.29
16 Asn -14.09 0.39
17 Ile -13.45 0.52
18 Leu -17.52 0.53
19 Ile -15.4 0.90
20 Met
21 Gly
22 Thr
23 Asp
24 Gly -8.76 0.58
25 Arg -8.49 0.32
26 Ile -7.38 0.26
27 Gly -6.7 0.24
28 Gln -7.08 0.32
29 Asn -4.08 0.29
30 Ser
31 Val -11.56 0.19
32 Glu -8.44 0.26
33 Thr -10.3 1.26
34 Arg -13.48 0.20
35 Thr
36 Asp -14.28 0.72
37 Ser
38 Ile -19.29 3.85
39 Met -15.01 1.15
40 Val -13.07 0.85
41 Leu -18.57 2.11
42 Asn
43 Val -12.25 1.29
44 Gly -12.85 0.65
45 Gly -14.88 0.60
46 Ser -13.2 0.41
47 Asp -14.45 0.41
48 Lys -15.52 0.35
49 Lys -13.14 0.55
50 Met -11.24 0.60
51 Lys
52 Leu -14.67 0.33
53 Val
54 Ser
55 Phe -10.08 0.45
56 Met -9.75 0.59
57 Arg -14.76 0.22
58 Asp -14.45 1.48
59 Asn -15.90 0.92
60 Leu -14.48 0.36
61 Val -13.76 0.22
62 Tyr -14.53 0.29
63 Ile -16.00 0.38
64 Asp -14.44 0.37
65 Gly -12.60 0.31
66 Tyr -14.00 0.72
67 Ser -9.33 0.25
68 Gln -14.40 0.27
69 Val -12.35 0.16
70 Ile -13.31 0.16
71 Asn
72 Gly -11.13 0.24
73 Arg -14.13 0.16
74 Lys -13.50 0.44
75 Gln -13.23 0.11
76 Thr -12.86 0.18
77 Asp -13.46 0.39
78 Asn -14.42 0.36
79 Lys -12.44 0.17
80 Leu -13.48 0.34
81 Asn -10.23 0.41
82 Val
83 Ala
84 Tyr
85 Glu -14.74 1.50
86 Leu -16.32 0.47
87 Gly -14.80 0.48
88 Glu -15.30 0.69
89 Gln -12.74 0.25
90 Glu -12.84 0.28
91 Gly -7.82 0.15
92 Gln -11.54 0.36
93 Lys -12.53 0.34
94 Gly -15.52 1.54
95 Ala -11.03 0.66
96 Glu
97 Met -15.83 0.82
98 Val -14.59 0.33
99 Arg -14.93 0.30
100 Gln -15.32 0.25
101 Val -14.87 0.42
102 Leu -16.66 0.42
103 Lys -15.82 0.42
104 Asp -14.86 0.75
105 Asn
106 Phe
107 Asp -10.83 1.42
108 Leu -13.40 0.34
109 Asp -13.38 0.36
110 Ile -13.49 0.45
111 Lys -14.59 0.67
112 Tyr -12.89 0.48
113 Tyr
114 Ala
115 Leu
116 Val
117 Asp -12.02 0.54
118 Phe -14.17 0.36
119 Gln -13.94 0.71
120 Ala -16.31 0.44
121 Phe -13.97 1.23
122 Ala
123 Thr
124 Ala
125 Ile
126 Asp -13.70 2.83
127 Thr
128 Leu
129 Phe
130 Pro
131 Asp -12.74 0.26
132 Gly -14.21 0.21
133 Val -15.23 0.21
134 Thr -13.91 0.64
135 Ile -16.08 0.33
136 Asp -14.69 0.24
137 Ala -15.14 0.12
138 Gln -13.17 0.17
139 Phe -11.78 0.19
140 Ser -12.10 0.15
141 Thr -8.43 1.55
142 Leu -14.26 0.17
143 Asn -14.94 0.74
144 Gly -12.21 0.16
145 Arg -14.24 0.17
146 Pro
147 Leu -12.57 0.17
148 Thr -11.80 1.82
149 Glu -15.95 0.28
150 Ala -14.68 0.24
151 Thr -13.14 0.34
152 Val -13.21 0.19
153 Gly -8.94 0.17
154 Asp -8.27 0.11
155 Asp -6.21 0.10
156 Leu -5.86 0.16
157 Tyr -6.36 0.09
158 Ala -5.70 0.13
159 Thr -4.45 0.16
160 Glu -4.68 0.20
161 Thr -3.96 0.35
162 Glu -4.30 0.53
163 Ser -5.00 0.30
164 Pro
165 Thr -7.97 0.21
166 Gln -9.85 0.22
167 Thr -12.14 0.39
168 Ile -13.99 0.38
169 Lys -14.72 0.17
170 Val -13.27 0.17
171 Gly -14.02 0.29
172 Lys -13.84 0.27
173 Gln -15.23 0.22
174 Gln -13.45 0.23
175 Met -12.52 0.26
176 Asn -13.68 0.12
177 Gly -13.34 0.17
178 Ser -15.55 0.39
179 Thr -12.18 0.52
180 Leu -16.52 0.34
181 Leu -14.94 0.54
182 Asn -14.47 0.92
183 Tyr -16.88 0.75
184 Ala -12.88 0.79
185 Arg
186 Phe
187 Arg
188 Asp
189 Asp -14.28 0.60
190 Asp -12.13 0.89
191 Glu -16.74 0.37
192 Ala -16.39 0.45
193 Asp
194 Tyr
195 Gly -15.30 1.88
196 Arg -7.41 0.65
197 Thr
198 Lys
199 Arg -4.57 0.17
200 Gln -10.99 0.29
201 Gln
202 Gln -14.64 1.58
203 Val
204 Leu
205 Thr -12.39 0.58
206 Ala -15.60 0.56
207 Ile -16.47 0.87
208 Leu
209 Glu -15.51 0.75
210 Gln
211 Ile -15.94 1.45
212 Lys -14.09 0.92
213 Asp
214 Pro
215 Thr -12.01 1.31
216 Lys
217 Leu
218 Phe
219 Thr
220 Gly
221 Ser
222 Glu
223 Ala
224 Leu -2.52 1.20
225 Gly -12.19 1.88
226 Lys
227 Val
228 Phe
229 Ala
230 Met
231 Thr -2.87 0.92
232 Ser -17.02 4.18
233 Thr -14.60 0.98
234 Asn
235 Val -14.91 0.59
236 Pro
237 Tyr -14.89 0.45
238 Thr -20.88 4.20
239 Phe
240 Leu
241 Leu
242 Thr
243 Asn
244 Gly -23.33 6.00
245 Leu -10.15 0.54
246 Ser -12.39 1.64
247 Val
248 Leu
249 Asp
250 Gly
251 Ala -13.28 0.76
252 Lys -13.99 1.56
253 Asn -11.95 1.27
254 Gly -11.29 0.25
255 Ile -9.25 0.60
256 Glu -13.71 0.42
257 Lys -12.86 0.20
258 Leu -12.96 0.38
259 Thr -14.70 0.28
260 Ile -12.84 0.24
261
262 Glu -12.73 0.53
263 Leu -13.67 0.45
264 Gly -11.07 0.58
265 Asp -14.59 0.37
266 Trp -12.92 0.37
267 Val -13.93 0.54
268 Asp -13.48 0.20
269 Ala -14.05 0.24
270 Tyr -10.57 0.22
271 Asp -14.73 0.18
272 Val -10.19 0.40
273 Tyr -12.28 0.53
274 Gly -14.10 0.31
275 Gly -14.54 0.23
276 Leu -12.51 0.20
277 Gly -13.14 0.26
278 Leu -15.08 0.23
279 Leu -15.81 0.29
280 Val -13.91 0.26
281 Asp -14.67 0.28
282 Gln -14.03 0.20
283 Asn -15.15 0.56
284 Lys -15.26 0.26
285 Tyr -14.87 0.18
286 Gln -15.36 0.36
287 Thr -10.14 0.29
288 Lys -15.69 0.40
289 Leu -15.30 0.34
290 Ala -15.69 0.29
291 Gln -14.91 0.20
292 Met -14.16 0.12
293 Gly -14.06 0.27
294 Leu -15.40 0.58
295 Arg -14.33 0.26
;
loop_
_Other_data_experiment.Experiment_ID
_Other_data_experiment.Experiment_name
_Other_data_experiment.Sample_ID
_Other_data_experiment.Sample_label
_Other_data_experiment.Sample_state
_Other_data_experiment.Entry_ID
_Other_data_experiment.Other_data_type_list_ID
1 '2D 1H-15N TROSY' . . . 52908 1
stop_
loop_
_Other_data_software.Software_ID
_Other_data_software.Software_label
_Other_data_software.Method_ID
_Other_data_software.Method_label
_Other_data_software.Entry_ID
_Other_data_software.Other_data_type_list_ID
3 $software_3 . . 52908 1
stop_
save_
save_other_data_types_2
_Other_data_type_list.Sf_category other_data_types
_Other_data_type_list.Sf_framecode other_data_types_2
_Other_data_type_list.Entry_ID 52908
_Other_data_type_list.ID 2
_Other_data_type_list.Name 'calculated H2'
_Other_data_type_list.Definition 'calculated H2'
_Other_data_type_list.Sample_condition_list_ID 1
_Other_data_type_list.Sample_condition_list_label $sample_conditions_1
_Other_data_type_list.Chem_shift_reference_ID .
_Other_data_type_list.Chem_shift_reference_label .
_Other_data_type_list.Details 'calculated H2'
_Other_data_type_list.Text_data_format text
_Other_data_type_list.Text_data
;
seqid resid H2 error
1 Gly -8.246 0.82
2 Gln -9.199 0.953
3 Val -8.579 0.968
4 Glu -9.796 1.214
5 Val -9.445 1.022
6 Phe -11.614 1.183
7 Asn -12.06 0.712
8 Gly -7.273 0.46
9 Gln -13.228 0.763
10 Asp -13.278 0.759
11 Thr -12.622 0.731
12 Arg -13.27 0.758
13 Asp -12.357 0.732
14 Gly -13.034 0.777
15 Val -14.174 0.809
16 Asn -14.317 0.816
17 Ile -14.583 0.831
18 Leu -14.587 0.832
19 Ile -14.24 0.812
20 Met -14.324 0.817
21 Gly -13.782 0.807
22 Thr -14.039 0.804
23 Asp -13.565 0.777
24 Gly -11.817 0.769
25 Arg -9.212 0.629
26 Ile -7.154 0.737
27 Gly -6.486 0.469
28 Gln -5.549 0.423
29 Asn -5.235 0.363
30 Ser -4.089 0.263
31 Val -4.714 0.314
32 Glu -6.737 0.423
33 Thr -9.136 0.528
34 Arg -11.944 0.687
35 Thr -13.193 0.758
36 Asp -13.643 0.785
37 Ser -13.207 0.83
38 Ile -13.576 0.824
39 Met -14.6 0.832
40 Val -14.367 0.819
41 Leu -14.61 0.833
42 Asn -14.303 0.815
43 Val -14.364 0.819
44 Gly -13.579 0.774
45 Gly -13.44 0.767
46 Ser -13.456 0.783
47 Asp -12.198 0.699
48 Lys -13.021 0.751
49 Lys -12.47 0.74
50 Met -13.542 0.773
51 Lys -13.594 0.775
52 Leu -14.444 0.823
53 Val -14.41 0.821
54 Ser -14.346 0.818
55 Phe -14.435 0.823
56 Met -14.038 0.801
57 Arg -13.977 0.797
58 Asp -14.425 0.822
59 Asn -14.309 0.816
60 Leu -14.228 0.811
61 Val -14.19 0.809
62 Tyr -13.935 0.796
63 Ile -13.988 0.801
64 Asp -13.762 0.785
65 Gly -12.192 0.695
66 Tyr -9.776 0.56
67 Ser -10.506 0.657
68 Gln -12.071 0.721
69 Val -11.122 0.741
70 Ile -11.832 0.808
71 Asn -11.805 0.687
72 Gly -11.483 0.665
73 Arg -10.933 0.652
74 Lys -11.885 0.68
75 Gln -11.746 0.704
76 Thr -10.768 0.663
77 Asp -12.082 0.852
78 Asn -12.987 0.801
79 Lys -13.819 0.788
80 Leu -14.371 0.819
81 Asn -14.485 0.826
82 Val -14.397 0.821
83 Ala -14.532 0.828
84 Tyr -14.491 0.826
85 Glu -14.469 0.825
86 Leu -14.621 0.833
87 Gly -14.34 0.817
88 Glu -14.374 0.82
89 Gln -13.576 0.776
90 Glu -13.234 0.758
91 Gly -10.012 0.655
92 Gln -10.889 0.65
93 Lys -12.116 0.697
94 Gly -13.962 0.796
95 Ala -14.023 0.799
96 Glu -14.5 0.827
97 Met -14.784 0.843
98 Val -14.701 0.838
99 Arg -14.809 0.844
100 Gln -14.816 0.845
101 Val -14.784 0.843
102 Leu -14.817 0.845
103 Lys -14.705 0.838
104 Asp -14.646 0.835
105 Asn -13.906 0.793
106 Phe -13.785 0.786
107 Asp -14.058 0.802
108 Leu -12.256 0.7
109 Asp -14.104 0.805
110 Ile -13.72 0.789
111 Lys -14.06 0.802
112 Tyr -13.967 0.799
113 Tyr -14.615 0.833
114 Ala -14.559 0.83
115 Leu -14.276 0.814
116 Val -14.312 0.817
117 Asp -13.886 0.793
118 Phe -14.339 0.817
119 Gln -14.01 0.799
120 Ala -13.544 0.772
121 Phe -13.529 0.774
122 Ala -14.684 0.837
123 Thr -14.487 0.826
124 Ala -14.565 0.83
125 Ile -14.739 0.84
126 Asp -14.661 0.836
127 Thr -13.982 0.798
128 Leu -14.418 0.822
129 Phe -14.354 0.818
130 Pro
131 Asp -13.142 0.75
132 Gly -13.058 0.745
133 Val -13.473 0.774
134 Thr -13.617 0.778
135 Ile -14.103 0.806
136 Asp -13.392 0.769
137 Ala -12.686 0.724
138 Gln -13.3 0.762
139 Phe -12.582 0.72
140 Ser -13.484 0.77
141 Thr -10.28 1.207
142 Leu -13.521 0.848
143 Asn -12.826 0.732
144 Gly -13.211 0.757
145 Arg -12.005 0.692
146 Pro
147 Leu -10.091 0.731
148 Thr -12.495 0.723
149 Glu -13.07 0.747
150 Ala -13.538 0.778
151 Thr -12.403 0.726
152 Val -12.673 0.845
153 Gly -9.727 0.632
154 Asp -7.88 0.584
155 Asp -5.148 0.402
156 Leu -5.348 0.422
157 Tyr -4.609 0.372
158 Ala -4.696 0.383
159 Thr -3.584 0.264
160 Glu -3.913 0.27
161 Thr -4.377 0.346
162 Glu -4.51 0.433
163 Ser -5.557 0.548
164 Pro
165 Thr -7.431 0.924
166 Gln -8.795 1.512
167 Thr -11.115 0.996
168 Ile -13.112 0.757
169 Lys -12.558 0.718
170 Val -13.202 0.789
171 Gly -12.806 0.735
172 Lys -12.747 0.729
173 Gln -13.306 0.798
174 Gln -13.025 0.787
175 Met -12.983 0.74
176 Asn -14.054 0.802
177 Gly -14.628 0.834
178 Ser -14.565 0.83
179 Thr -14.438 0.823
180 Leu -14.876 0.848
181 Leu -14.772 0.842
182 Asn -14.755 0.841
183 Tyr -14.83 0.845
184 Ala -14.761 0.841
185 Arg -14.436 0.823
186 Phe -13.702 0.786
187 Arg -14.194 0.809
188 Asp -13.717 0.783
189 Asp -9.237 0.588
190 Asp -14.032 0.8
191 Glu -12.85 0.734
192 Ala -14.053 0.802
193 Asp -14.051 0.801
194 Tyr -14.536 0.829
195 Gly -14.552 0.829
196 Arg -14.686 0.837
197 Thr -14.676 0.837
198 Lys -14.748 0.841
199 Arg -14.659 0.836
200 Gln -14.516 0.828
201 Gln -14.668 0.836
202 Gln -14.589 0.832
203 Val -14.771 0.842
204 Leu -14.779 0.842
205 Thr -14.668 0.836
206 Ala -14.724 0.839
207 Ile -14.642 0.835
208 Leu -14.586 0.832
209 Glu -14.393 0.82
210 Gln -14.011 0.799
211 Ile -13.439 0.766
212 Lys -12.331 0.722
213 Asp -12.053 0.74
214 Pro
215 Thr -13.797 0.787
216 Lys -13.198 0.758
217 Leu -13.521 0.773
218 Phe -13.908 0.794
219 Thr -12.57 0.737
220 Gly -8.43 0.935
221 Ser -7.122 0.439
222 Glu -12.598 0.726
223 Ala -12.9 0.78
224 Leu -14.054 0.805
225 Gly -14.064 0.803
226 Lys -14.151 0.809
227 Val -14.184 0.809
228 Phe -14.354 0.819
229 Ala -13.71 0.783
230 Met -13.223 0.755
231 Thr -13.337 0.762
232 Ser -13.425 0.766
233 Thr -13.981 0.8
234 Asn -14.119 0.806
235 Val -14.301 0.816
236 Pro
237 Tyr -13.708 0.794
238 Thr -13.675 0.79
239 Phe -14.206 0.81
240 Leu -14.131 0.806
241 Leu -14.227 0.812
242 Thr -13.558 0.784
243 Asn -12.865 0.766
244 Gly -13.517 0.771
245 Leu -14.034 0.801
246 Ser -13.998 0.801
247 Val -14.501 0.827
248 Leu -14.46 0.824
249 Asp -14.483 0.826
250 Gly -14.414 0.822
251 Ala -14.51 0.827
252 Lys -14.437 0.823
253 Asn -13.947 0.796
254 Gly -13.033 0.751
255 Ile -13.183 0.762
256 Glu -14.166 0.808
257 Lys -13.612 0.776
258 Leu -13.419 0.765
259 Thr -13.772 0.786
260 Ile -14.473 0.825
261
262 Glu -13.081 0.747
263 Leu -12.774 0.729
264 Gly -12.228 0.709
265 Asp -13.64 0.778
266 Trp -11.917 0.686
267 Val -13.264 0.757
268 Asp -11.193 0.649
269 Ala -7.755 0.573
270 Tyr -7.638 0.511
271 Asp -8.261 0.555
272 Val -7.126 0.505
273 Tyr -7.28 0.611
274 Gly -5.87 0.791
275 Gly -5.886 0.502
276 Leu -8.772 0.597
277 Gly -8.38 0.76
278 Leu -13.02 0.744
279 Leu -13.452 0.769
280 Val -13.164 0.76
281 Asp -12.77 0.73
282 Gln -12.306 0.702
283 Asn -11.839 0.682
284 Lys -12.343 0.705
285 Tyr -13.874 0.792
286 Gln -14.198 0.809
287 Thr -14.267 0.813
288 Lys -14.076 0.802
289 Leu -14.533 0.829
290 Ala -14.47 0.825
291 Gln -14.343 0.818
292 Met -14.032 0.8
293 Gly -12.714 0.725
294 Leu -12.862 0.741
295 Arg -11.652 0.717
;
loop_
_Other_data_experiment.Experiment_ID
_Other_data_experiment.Experiment_name
_Other_data_experiment.Sample_ID
_Other_data_experiment.Sample_label
_Other_data_experiment.Sample_state
_Other_data_experiment.Entry_ID
_Other_data_experiment.Other_data_type_list_ID
1 '2D 1H-15N TROSY' . . . 52908 2
stop_
loop_
_Other_data_software.Software_ID
_Other_data_software.Software_label
_Other_data_software.Method_ID
_Other_data_software.Method_label
_Other_data_software.Entry_ID
_Other_data_software.Other_data_type_list_ID
3 $software_3 . . 52908 2
stop_
save_
##############################
# Heteronuclear NOE values #
##############################
save_heteronucl_NOEs_1
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1
_Heteronucl_NOE_list.Entry_ID 52908
_Heteronucl_NOE_list.ID 1
_Heteronucl_NOE_list.Name 'experimental NOE'
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 600
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type na
_Heteronucl_NOE_list.NOE_ref_val 0
_Heteronucl_NOE_list.NOE_ref_description .
_Heteronucl_NOE_list.Details .
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
loop_
_Heteronucl_NOE_experiment.Experiment_ID
_Heteronucl_NOE_experiment.Experiment_name
_Heteronucl_NOE_experiment.Sample_ID
_Heteronucl_NOE_experiment.Sample_label
_Heteronucl_NOE_experiment.Sample_state
_Heteronucl_NOE_experiment.Entry_ID
_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID
1 '2D 1H-15N TROSY' . . . 52908 1
stop_
loop_
_Heteronucl_NOE_software.Software_ID
_Heteronucl_NOE_software.Software_label
_Heteronucl_NOE_software.Method_ID
_Heteronucl_NOE_software.Method_label
_Heteronucl_NOE_software.Entry_ID
_Heteronucl_NOE_software.Heteronucl_NOE_list_ID
3 $software_3 . . 52908 1
stop_
loop_
_Heteronucl_NOE.ID
_Heteronucl_NOE.Assembly_atom_ID_1
_Heteronucl_NOE.Entity_assembly_ID_1
_Heteronucl_NOE.Entity_ID_1
_Heteronucl_NOE.Comp_index_ID_1
_Heteronucl_NOE.Seq_ID_1
_Heteronucl_NOE.Comp_ID_1
_Heteronucl_NOE.Atom_ID_1
_Heteronucl_NOE.Atom_type_1
_Heteronucl_NOE.Atom_isotope_number_1
_Heteronucl_NOE.Assembly_atom_ID_2
_Heteronucl_NOE.Entity_assembly_ID_2
_Heteronucl_NOE.Entity_ID_2
_Heteronucl_NOE.Comp_index_ID_2
_Heteronucl_NOE.Seq_ID_2
_Heteronucl_NOE.Comp_ID_2
_Heteronucl_NOE.Atom_ID_2
_Heteronucl_NOE.Atom_type_2
_Heteronucl_NOE.Atom_isotope_number_2
_Heteronucl_NOE.Val
_Heteronucl_NOE.Val_err
_Heteronucl_NOE.Resonance_ID_1
_Heteronucl_NOE.Resonance_ID_2
_Heteronucl_NOE.Auth_entity_assembly_ID_1
_Heteronucl_NOE.Auth_seq_ID_1
_Heteronucl_NOE.Auth_comp_ID_1
_Heteronucl_NOE.Auth_atom_ID_1
_Heteronucl_NOE.Auth_entity_assembly_ID_2
_Heteronucl_NOE.Auth_seq_ID_2
_Heteronucl_NOE.Auth_comp_ID_2
_Heteronucl_NOE.Auth_atom_ID_2
_Heteronucl_NOE.Entry_ID
_Heteronucl_NOE.Heteronucl_NOE_list_ID
1 . 1 1 1 1 GLY N N 15 . 1 1 1 1 GLY H H 1 0.690 0.078 . . . . . . . . . . 52908 1
2 . 1 1 3 3 VAL N N 15 . 1 1 3 3 VAL H H 1 0.463 0.019 . . . . . . . . . . 52908 1
3 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 0.430 0.039 . . . . . . . . . . 52908 1
4 . 1 1 5 5 VAL N N 15 . 1 1 5 5 VAL H H 1 0.654 0.026 . . . . . . . . . . 52908 1
5 . 1 1 6 6 PHE N N 15 . 1 1 6 6 PHE H H 1 0.639 0.028 . . . . . . . . . . 52908 1
6 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.822 0.033 . . . . . . . . . . 52908 1
7 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.828 0.016 . . . . . . . . . . 52908 1
8 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.782 0.024 . . . . . . . . . . 52908 1
9 . 1 1 10 10 ASP N N 15 . 1 1 10 10 ASP H H 1 0.776 0.014 . . . . . . . . . . 52908 1
10 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.827 0.020 . . . . . . . . . . 52908 1
11 . 1 1 12 12 ARG N N 15 . 1 1 12 12 ARG H H 1 0.672 0.014 . . . . . . . . . . 52908 1
12 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.825 0.024 . . . . . . . . . . 52908 1
13 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.830 0.013 . . . . . . . . . . 52908 1
14 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.840 0.023 . . . . . . . . . . 52908 1
15 . 1 1 16 16 ASN N N 15 . 1 1 16 16 ASN H H 1 0.819 0.021 . . . . . . . . . . 52908 1
16 . 1 1 17 17 ILE N N 15 . 1 1 17 17 ILE H H 1 0.873 0.034 . . . . . . . . . . 52908 1
17 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.857 0.038 . . . . . . . . . . 52908 1
18 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.792 0.059 . . . . . . . . . . 52908 1
19 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.455 0.060 . . . . . . . . . . 52908 1
20 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.529 0.010 . . . . . . . . . . 52908 1
21 . 1 1 26 26 ILE N N 15 . 1 1 26 26 ILE H H 1 0.444 0.026 . . . . . . . . . . 52908 1
22 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.395 0.023 . . . . . . . . . . 52908 1
23 . 1 1 28 28 GLN N N 15 . 1 1 28 28 GLN H H 1 0.470 0.026 . . . . . . . . . . 52908 1
24 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.286 0.053 . . . . . . . . . . 52908 1
25 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.711 0.008 . . . . . . . . . . 52908 1
26 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.536 0.022 . . . . . . . . . . 52908 1
27 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 0.660 0.059 . . . . . . . . . . 52908 1
28 . 1 1 34 34 ARG N N 15 . 1 1 34 34 ARG H H 1 0.761 0.021 . . . . . . . . . . 52908 1
29 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.865 0.075 . . . . . . . . . . 52908 1
30 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.741 0.079 . . . . . . . . . . 52908 1
31 . 1 1 39 39 MET N N 15 . 1 1 39 39 MET H H 1 0.989 0.087 . . . . . . . . . . 52908 1
32 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.821 0.052 . . . . . . . . . . 52908 1
33 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.985 0.090 . . . . . . . . . . 52908 1
34 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.855 0.049 . . . . . . . . . . 52908 1
35 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.751 0.046 . . . . . . . . . . 52908 1
36 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.782 0.034 . . . . . . . . . . 52908 1
37 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 0.785 0.036 . . . . . . . . . . 52908 1
38 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.757 0.019 . . . . . . . . . . 52908 1
39 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.816 0.022 . . . . . . . . . . 52908 1
40 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.701 0.038 . . . . . . . . . . 52908 1
41 . 1 1 50 50 MET N N 15 . 1 1 50 50 MET H H 1 0.624 0.036 . . . . . . . . . . 52908 1
42 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.843 0.023 . . . . . . . . . . 52908 1
43 . 1 1 55 55 PHE N N 15 . 1 1 55 55 PHE H H 1 0.668 0.033 . . . . . . . . . . 52908 1
44 . 1 1 56 56 MET N N 15 . 1 1 56 56 MET H H 1 0.694 0.035 . . . . . . . . . . 52908 1
45 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.823 0.027 . . . . . . . . . . 52908 1
46 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.787 0.059 . . . . . . . . . . 52908 1
47 . 1 1 59 59 ASN N N 15 . 1 1 59 59 ASN H H 1 0.783 0.034 . . . . . . . . . . 52908 1
48 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 0.851 0.018 . . . . . . . . . . 52908 1
49 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.854 0.016 . . . . . . . . . . 52908 1
50 . 1 1 62 62 TYR N N 15 . 1 1 62 62 TYR H H 1 0.850 0.020 . . . . . . . . . . 52908 1
51 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.874 0.024 . . . . . . . . . . 52908 1
52 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.798 0.018 . . . . . . . . . . 52908 1
53 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.792 0.014 . . . . . . . . . . 52908 1
54 . 1 1 66 66 TYR N N 15 . 1 1 66 66 TYR H H 1 0.817 0.023 . . . . . . . . . . 52908 1
55 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.617 0.026 . . . . . . . . . . 52908 1
56 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.708 0.016 . . . . . . . . . . 52908 1
57 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.669 0.010 . . . . . . . . . . 52908 1
58 . 1 1 70 70 ILE N N 15 . 1 1 70 70 ILE H H 1 0.711 0.013 . . . . . . . . . . 52908 1
59 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.741 0.023 . . . . . . . . . . 52908 1
60 . 1 1 73 73 ARG N N 15 . 1 1 73 73 ARG H H 1 0.665 0.012 . . . . . . . . . . 52908 1
61 . 1 1 74 74 LYS N N 15 . 1 1 74 74 LYS H H 1 0.721 0.026 . . . . . . . . . . 52908 1
62 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.759 0.013 . . . . . . . . . . 52908 1
63 . 1 1 76 76 THR N N 15 . 1 1 76 76 THR H H 1 0.803 0.014 . . . . . . . . . . 52908 1
64 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.822 0.022 . . . . . . . . . . 52908 1
65 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.869 0.024 . . . . . . . . . . 52908 1
66 . 1 1 79 79 LYS N N 15 . 1 1 79 79 LYS H H 1 0.779 0.017 . . . . . . . . . . 52908 1
67 . 1 1 80 80 LEU N N 15 . 1 1 80 80 LEU H H 1 0.844 0.027 . . . . . . . . . . 52908 1
68 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.584 0.020 . . . . . . . . . . 52908 1
69 . 1 1 85 85 GLU N N 15 . 1 1 85 85 GLU H H 1 0.730 0.052 . . . . . . . . . . 52908 1
70 . 1 1 86 86 LEU N N 15 . 1 1 86 86 LEU H H 1 0.826 0.026 . . . . . . . . . . 52908 1
71 . 1 1 87 87 GLY N N 15 . 1 1 87 87 GLY H H 1 0.863 0.020 . . . . . . . . . . 52908 1
72 . 1 1 88 88 GLU N N 15 . 1 1 88 88 GLU H H 1 0.816 0.033 . . . . . . . . . . 52908 1
73 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.723 0.015 . . . . . . . . . . 52908 1
74 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.745 0.017 . . . . . . . . . . 52908 1
75 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.206 0.016 . . . . . . . . . . 52908 1
76 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 0.569 0.022 . . . . . . . . . . 52908 1
77 . 1 1 93 93 LYS N N 15 . 1 1 93 93 LYS H H 1 0.735 0.021 . . . . . . . . . . 52908 1
78 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 1.107 0.124 . . . . . . . . . . 52908 1
79 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.743 0.048 . . . . . . . . . . 52908 1
80 . 1 1 97 97 MET N N 15 . 1 1 97 97 MET H H 1 0.740 0.034 . . . . . . . . . . 52908 1
81 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.834 0.017 . . . . . . . . . . 52908 1
82 . 1 1 99 99 ARG N N 15 . 1 1 99 99 ARG H H 1 0.888 0.029 . . . . . . . . . . 52908 1
83 . 1 1 100 100 GLN N N 15 . 1 1 100 100 GLN H H 1 0.911 0.021 . . . . . . . . . . 52908 1
84 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.901 0.021 . . . . . . . . . . 52908 1
85 . 1 1 102 102 LEU N N 15 . 1 1 102 102 LEU H H 1 0.843 0.023 . . . . . . . . . . 52908 1
86 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.801 0.030 . . . . . . . . . . 52908 1
87 . 1 1 104 104 ASP N N 15 . 1 1 104 104 ASP H H 1 0.826 0.024 . . . . . . . . . . 52908 1
88 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 0.851 0.047 . . . . . . . . . . 52908 1
89 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 0.829 0.019 . . . . . . . . . . 52908 1
90 . 1 1 109 109 ASP N N 15 . 1 1 109 109 ASP H H 1 0.801 0.025 . . . . . . . . . . 52908 1
91 . 1 1 110 110 ILE N N 15 . 1 1 110 110 ILE H H 1 0.818 0.027 . . . . . . . . . . 52908 1
92 . 1 1 111 111 LYS N N 15 . 1 1 111 111 LYS H H 1 0.825 0.026 . . . . . . . . . . 52908 1
93 . 1 1 112 112 TYR N N 15 . 1 1 112 112 TYR H H 1 0.914 0.035 . . . . . . . . . . 52908 1
94 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.689 0.029 . . . . . . . . . . 52908 1
95 . 1 1 118 118 PHE N N 15 . 1 1 118 118 PHE H H 1 0.870 0.030 . . . . . . . . . . 52908 1
96 . 1 1 119 119 GLN N N 15 . 1 1 119 119 GLN H H 1 0.850 0.038 . . . . . . . . . . 52908 1
97 . 1 1 120 120 ALA N N 15 . 1 1 120 120 ALA H H 1 0.780 0.033 . . . . . . . . . . 52908 1
98 . 1 1 121 121 PHE N N 15 . 1 1 121 121 PHE H H 1 0.855 0.035 . . . . . . . . . . 52908 1
99 . 1 1 126 126 ASP N N 15 . 1 1 126 126 ASP H H 1 0.890 0.084 . . . . . . . . . . 52908 1
100 . 1 1 131 131 ASP N N 15 . 1 1 131 131 ASP H H 1 0.827 0.020 . . . . . . . . . . 52908 1
101 . 1 1 132 132 GLY N N 15 . 1 1 132 132 GLY H H 1 0.864 0.018 . . . . . . . . . . 52908 1
102 . 1 1 133 133 VAL N N 15 . 1 1 133 133 VAL H H 1 0.872 0.018 . . . . . . . . . . 52908 1
103 . 1 1 134 134 THR N N 15 . 1 1 134 134 THR H H 1 0.653 0.046 . . . . . . . . . . 52908 1
104 . 1 1 135 135 ILE N N 15 . 1 1 135 135 ILE H H 1 0.834 0.019 . . . . . . . . . . 52908 1
105 . 1 1 136 136 ASP N N 15 . 1 1 136 136 ASP H H 1 0.826 0.019 . . . . . . . . . . 52908 1
106 . 1 1 137 137 ALA N N 15 . 1 1 137 137 ALA H H 1 0.877 0.018 . . . . . . . . . . 52908 1
107 . 1 1 138 138 GLN N N 15 . 1 1 138 138 GLN H H 1 0.750 0.020 . . . . . . . . . . 52908 1
108 . 1 1 139 139 PHE N N 15 . 1 1 139 139 PHE H H 1 0.714 0.017 . . . . . . . . . . 52908 1
109 . 1 1 140 140 SER N N 15 . 1 1 140 140 SER H H 1 0.759 0.018 . . . . . . . . . . 52908 1
110 . 1 1 141 141 THR N N 15 . 1 1 141 141 THR H H 1 0.799 0.066 . . . . . . . . . . 52908 1
111 . 1 1 142 142 LEU N N 15 . 1 1 142 142 LEU H H 1 0.779 0.016 . . . . . . . . . . 52908 1
112 . 1 1 143 143 ASN N N 15 . 1 1 143 143 ASN H H 1 0.596 0.038 . . . . . . . . . . 52908 1
113 . 1 1 144 144 GLY N N 15 . 1 1 144 144 GLY H H 1 0.652 0.022 . . . . . . . . . . 52908 1
114 . 1 1 145 145 ARG N N 15 . 1 1 145 145 ARG H H 1 0.756 0.013 . . . . . . . . . . 52908 1
115 . 1 1 147 147 LEU N N 15 . 1 1 147 147 LEU H H 1 0.614 0.014 . . . . . . . . . . 52908 1
116 . 1 1 148 148 THR N N 15 . 1 1 148 148 THR H H 1 0.641 0.047 . . . . . . . . . . 52908 1
117 . 1 1 149 149 GLU N N 15 . 1 1 149 149 GLU H H 1 0.752 0.021 . . . . . . . . . . 52908 1
118 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.742 0.018 . . . . . . . . . . 52908 1
119 . 1 1 151 151 THR N N 15 . 1 1 151 151 THR H H 1 0.766 0.018 . . . . . . . . . . 52908 1
120 . 1 1 152 152 VAL N N 15 . 1 1 152 152 VAL H H 1 0.840 0.023 . . . . . . . . . . 52908 1
121 . 1 1 153 153 GLY N N 15 . 1 1 153 153 GLY H H 1 0.620 0.018 . . . . . . . . . . 52908 1
122 . 1 1 154 154 ASP N N 15 . 1 1 154 154 ASP H H 1 0.564 0.009 . . . . . . . . . . 52908 1
123 . 1 1 155 155 ASP N N 15 . 1 1 155 155 ASP H H 1 0.440 0.014 . . . . . . . . . . 52908 1
124 . 1 1 156 156 LEU N N 15 . 1 1 156 156 LEU H H 1 0.301 0.010 . . . . . . . . . . 52908 1
125 . 1 1 157 157 TYR N N 15 . 1 1 157 157 TYR H H 1 0.429 0.012 . . . . . . . . . . 52908 1
126 . 1 1 158 158 ALA N N 15 . 1 1 158 158 ALA H H 1 0.359 0.014 . . . . . . . . . . 52908 1
127 . 1 1 159 159 THR N N 15 . 1 1 159 159 THR H H 1 0.266 0.012 . . . . . . . . . . 52908 1
128 . 1 1 160 160 GLU N N 15 . 1 1 160 160 GLU H H 1 0.316 0.017 . . . . . . . . . . 52908 1
129 . 1 1 161 161 THR N N 15 . 1 1 161 161 THR H H 1 0.181 0.016 . . . . . . . . . . 52908 1
130 . 1 1 162 162 GLU N N 15 . 1 1 162 162 GLU H H 1 0.314 0.012 . . . . . . . . . . 52908 1
131 . 1 1 163 163 SER N N 15 . 1 1 163 163 SER H H 1 0.321 0.012 . . . . . . . . . . 52908 1
132 . 1 1 165 165 THR N N 15 . 1 1 165 165 THR H H 1 0.622 0.011 . . . . . . . . . . 52908 1
133 . 1 1 166 166 GLN N N 15 . 1 1 166 166 GLN H H 1 0.545 0.021 . . . . . . . . . . 52908 1
134 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 0.660 0.023 . . . . . . . . . . 52908 1
135 . 1 1 168 168 ILE N N 15 . 1 1 168 168 ILE H H 1 0.745 0.024 . . . . . . . . . . 52908 1
136 . 1 1 169 169 LYS N N 15 . 1 1 169 169 LYS H H 1 0.795 0.019 . . . . . . . . . . 52908 1
137 . 1 1 170 170 VAL N N 15 . 1 1 170 170 VAL H H 1 0.797 0.017 . . . . . . . . . . 52908 1
138 . 1 1 171 171 GLY N N 15 . 1 1 171 171 GLY H H 1 0.875 0.016 . . . . . . . . . . 52908 1
139 . 1 1 172 172 LYS N N 15 . 1 1 172 172 LYS H H 1 0.835 0.014 . . . . . . . . . . 52908 1
140 . 1 1 173 173 GLN N N 15 . 1 1 173 173 GLN H H 1 0.859 0.019 . . . . . . . . . . 52908 1
141 . 1 1 174 174 GLN N N 15 . 1 1 174 174 GLN H H 1 0.807 0.013 . . . . . . . . . . 52908 1
142 . 1 1 175 175 MET N N 15 . 1 1 175 175 MET H H 1 0.844 0.021 . . . . . . . . . . 52908 1
143 . 1 1 176 176 ASN N N 15 . 1 1 176 176 ASN H H 1 0.788 0.014 . . . . . . . . . . 52908 1
144 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.852 0.031 . . . . . . . . . . 52908 1
145 . 1 1 178 178 SER N N 15 . 1 1 178 178 SER H H 1 0.851 0.030 . . . . . . . . . . 52908 1
146 . 1 1 179 179 THR N N 15 . 1 1 179 179 THR H H 1 0.640 0.027 . . . . . . . . . . 52908 1
147 . 1 1 180 180 LEU N N 15 . 1 1 180 180 LEU H H 1 0.857 0.031 . . . . . . . . . . 52908 1
148 . 1 1 181 181 LEU N N 15 . 1 1 181 181 LEU H H 1 0.822 0.037 . . . . . . . . . . 52908 1
149 . 1 1 182 182 ASN N N 15 . 1 1 182 182 ASN H H 1 0.840 0.047 . . . . . . . . . . 52908 1
150 . 1 1 183 183 TYR N N 15 . 1 1 183 183 TYR H H 1 0.866 0.038 . . . . . . . . . . 52908 1
151 . 1 1 184 184 ALA N N 15 . 1 1 184 184 ALA H H 1 0.866 0.044 . . . . . . . . . . 52908 1
152 . 1 1 189 189 ASP N N 15 . 1 1 189 189 ASP H H 1 0.899 0.033 . . . . . . . . . . 52908 1
153 . 1 1 190 190 ASP N N 15 . 1 1 190 190 ASP H H 1 0.829 0.030 . . . . . . . . . . 52908 1
154 . 1 1 191 191 GLU N N 15 . 1 1 191 191 GLU H H 1 0.858 0.018 . . . . . . . . . . 52908 1
155 . 1 1 192 192 ALA N N 15 . 1 1 192 192 ALA H H 1 0.857 0.021 . . . . . . . . . . 52908 1
156 . 1 1 195 195 GLY N N 15 . 1 1 195 195 GLY H H 1 0.786 0.083 . . . . . . . . . . 52908 1
157 . 1 1 196 196 ARG N N 15 . 1 1 196 196 ARG H H 1 0.366 0.035 . . . . . . . . . . 52908 1
158 . 1 1 199 199 ARG N N 15 . 1 1 199 199 ARG H H 1 0.095 0.036 . . . . . . . . . . 52908 1
159 . 1 1 200 200 GLN N N 15 . 1 1 200 200 GLN H H 1 0.666 0.019 . . . . . . . . . . 52908 1
160 . 1 1 202 202 GLN N N 15 . 1 1 202 202 GLN H H 1 0.800 0.051 . . . . . . . . . . 52908 1
161 . 1 1 205 205 THR N N 15 . 1 1 205 205 THR H H 1 0.651 0.025 . . . . . . . . . . 52908 1
162 . 1 1 206 206 ALA N N 15 . 1 1 206 206 ALA H H 1 0.864 0.034 . . . . . . . . . . 52908 1
163 . 1 1 207 207 ILE N N 15 . 1 1 207 207 ILE H H 1 0.874 0.044 . . . . . . . . . . 52908 1
164 . 1 1 209 209 GLU N N 15 . 1 1 209 209 GLU H H 1 0.771 0.054 . . . . . . . . . . 52908 1
165 . 1 1 211 211 ILE N N 15 . 1 1 211 211 ILE H H 1 0.822 0.049 . . . . . . . . . . 52908 1
166 . 1 1 212 212 LYS N N 15 . 1 1 212 212 LYS H H 1 0.782 0.047 . . . . . . . . . . 52908 1
167 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.000 0.000 . . . . . . . . . . 52908 1
168 . 1 1 224 224 LEU N N 15 . 1 1 224 224 LEU H H 1 0.528 0.145 . . . . . . . . . . 52908 1
169 . 1 1 225 225 GLY N N 15 . 1 1 225 225 GLY H H 1 0.702 0.079 . . . . . . . . . . 52908 1
170 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.231 0.066 . . . . . . . . . . 52908 1
171 . 1 1 232 232 SER N N 15 . 1 1 232 232 SER H H 1 0.724 0.080 . . . . . . . . . . 52908 1
172 . 1 1 233 233 THR N N 15 . 1 1 233 233 THR H H 1 0.839 0.042 . . . . . . . . . . 52908 1
173 . 1 1 235 235 VAL N N 15 . 1 1 235 235 VAL H H 1 0.824 0.020 . . . . . . . . . . 52908 1
174 . 1 1 237 237 TYR N N 15 . 1 1 237 237 TYR H H 1 0.825 0.036 . . . . . . . . . . 52908 1
175 . 1 1 238 238 THR N N 15 . 1 1 238 238 THR H H 1 0.717 0.119 . . . . . . . . . . 52908 1
176 . 1 1 244 244 GLY N N 15 . 1 1 244 244 GLY H H 1 0.733 0.121 . . . . . . . . . . 52908 1
177 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.608 0.015 . . . . . . . . . . 52908 1
178 . 1 1 246 246 SER N N 15 . 1 1 246 246 SER H H 1 0.940 0.104 . . . . . . . . . . 52908 1
179 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.731 0.046 . . . . . . . . . . 52908 1
180 . 1 1 252 252 LYS N N 15 . 1 1 252 252 LYS H H 1 0.645 0.070 . . . . . . . . . . 52908 1
181 . 1 1 253 253 ASN N N 15 . 1 1 253 253 ASN H H 1 0.698 0.051 . . . . . . . . . . 52908 1
182 . 1 1 254 254 GLY N N 15 . 1 1 254 254 GLY H H 1 0.607 0.021 . . . . . . . . . . 52908 1
183 . 1 1 255 255 ILE N N 15 . 1 1 255 255 ILE H H 1 0.612 0.044 . . . . . . . . . . 52908 1
184 . 1 1 256 256 GLU N N 15 . 1 1 256 256 GLU H H 1 0.800 0.027 . . . . . . . . . . 52908 1
185 . 1 1 257 257 LYS N N 15 . 1 1 257 257 LYS H H 1 0.782 0.015 . . . . . . . . . . 52908 1
186 . 1 1 258 258 LEU N N 15 . 1 1 258 258 LEU H H 1 0.722 0.028 . . . . . . . . . . 52908 1
187 . 1 1 259 259 THR N N 15 . 1 1 259 259 THR H H 1 0.769 0.016 . . . . . . . . . . 52908 1
188 . 1 1 260 260 ILE N N 15 . 1 1 260 260 ILE H H 1 0.847 0.015 . . . . . . . . . . 52908 1
189 . 1 1 262 262 GLU N N 15 . 1 1 262 262 GLU H H 1 0.818 0.028 . . . . . . . . . . 52908 1
190 . 1 1 263 263 LEU N N 15 . 1 1 263 263 LEU H H 1 0.726 0.053 . . . . . . . . . . 52908 1
191 . 1 1 264 264 GLY N N 15 . 1 1 264 264 GLY H H 1 0.565 0.063 . . . . . . . . . . 52908 1
192 . 1 1 265 265 ASP N N 15 . 1 1 265 265 ASP H H 1 0.728 0.016 . . . . . . . . . . 52908 1
193 . 1 1 266 266 TRP N N 15 . 1 1 266 266 TRP H H 1 0.834 0.020 . . . . . . . . . . 52908 1
194 . 1 1 267 267 VAL N N 15 . 1 1 267 267 VAL H H 1 0.847 0.019 . . . . . . . . . . 52908 1
195 . 1 1 268 268 ASP N N 15 . 1 1 268 268 ASP H H 1 0.805 0.017 . . . . . . . . . . 52908 1
196 . 1 1 269 269 ALA N N 15 . 1 1 269 269 ALA H H 1 0.800 0.016 . . . . . . . . . . 52908 1
197 . 1 1 270 270 TYR N N 15 . 1 1 270 270 TYR H H 1 0.667 0.011 . . . . . . . . . . 52908 1
198 . 1 1 271 271 ASP N N 15 . 1 1 271 271 ASP H H 1 0.793 0.016 . . . . . . . . . . 52908 1
199 . 1 1 272 272 VAL N N 15 . 1 1 272 272 VAL H H 1 0.631 0.012 . . . . . . . . . . 52908 1
200 . 1 1 273 273 TYR N N 15 . 1 1 273 273 TYR H H 1 0.700 0.010 . . . . . . . . . . 52908 1
201 . 1 1 274 274 GLY N N 15 . 1 1 274 274 GLY H H 1 0.792 0.019 . . . . . . . . . . 52908 1
202 . 1 1 275 275 GLY N N 15 . 1 1 275 275 GLY H H 1 0.826 0.020 . . . . . . . . . . 52908 1
203 . 1 1 276 276 LEU N N 15 . 1 1 276 276 LEU H H 1 0.685 0.011 . . . . . . . . . . 52908 1
204 . 1 1 277 277 GLY N N 15 . 1 1 277 277 GLY H H 1 0.729 0.017 . . . . . . . . . . 52908 1
205 . 1 1 278 278 LEU N N 15 . 1 1 278 278 LEU H H 1 0.882 0.016 . . . . . . . . . . 52908 1
206 . 1 1 279 279 LEU N N 15 . 1 1 279 279 LEU H H 1 0.857 0.017 . . . . . . . . . . 52908 1
207 . 1 1 280 280 VAL N N 15 . 1 1 280 280 VAL H H 1 0.858 0.020 . . . . . . . . . . 52908 1
208 . 1 1 281 281 ASP N N 15 . 1 1 281 281 ASP H H 1 0.823 0.015 . . . . . . . . . . 52908 1
209 . 1 1 282 282 GLN N N 15 . 1 1 282 282 GLN H H 1 0.805 0.016 . . . . . . . . . . 52908 1
210 . 1 1 283 283 ASN N N 15 . 1 1 283 283 ASN H H 1 0.830 0.023 . . . . . . . . . . 52908 1
211 . 1 1 284 284 LYS N N 15 . 1 1 284 284 LYS H H 1 0.851 0.019 . . . . . . . . . . 52908 1
212 . 1 1 285 285 TYR N N 15 . 1 1 285 285 TYR H H 1 0.859 0.022 . . . . . . . . . . 52908 1
213 . 1 1 286 286 GLN N N 15 . 1 1 286 286 GLN H H 1 0.816 0.017 . . . . . . . . . . 52908 1
214 . 1 1 287 287 THR N N 15 . 1 1 287 287 THR H H 1 0.611 0.010 . . . . . . . . . . 52908 1
215 . 1 1 288 288 LYS N N 15 . 1 1 288 288 LYS H H 1 0.854 0.015 . . . . . . . . . . 52908 1
216 . 1 1 289 289 LEU N N 15 . 1 1 289 289 LEU H H 1 0.865 0.018 . . . . . . . . . . 52908 1
217 . 1 1 290 290 ALA N N 15 . 1 1 290 290 ALA H H 1 0.864 0.012 . . . . . . . . . . 52908 1
218 . 1 1 291 291 GLN N N 15 . 1 1 291 291 GLN H H 1 0.844 0.014 . . . . . . . . . . 52908 1
219 . 1 1 292 292 MET N N 15 . 1 1 292 292 MET H H 1 0.837 0.021 . . . . . . . . . . 52908 1
220 . 1 1 293 293 GLY N N 15 . 1 1 293 293 GLY H H 1 0.809 0.020 . . . . . . . . . . 52908 1
221 . 1 1 294 294 LEU N N 15 . 1 1 294 294 LEU H H 1 0.863 0.024 . . . . . . . . . . 52908 1
222 . 1 1 295 295 ARG N N 15 . 1 1 295 295 ARG H H 1 0.864 0.017 . . . . . . . . . . 52908 1
stop_
save_
save_heteronucl_NOEs_2
_Heteronucl_NOE_list.Sf_category heteronucl_NOEs
_Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_2
_Heteronucl_NOE_list.Entry_ID 52908
_Heteronucl_NOE_list.ID 2
_Heteronucl_NOE_list.Name 'calculated NOE'
_Heteronucl_NOE_list.Sample_condition_list_ID 1
_Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_NOE_list.Spectrometer_frequency_1H 600
_Heteronucl_NOE_list.Heteronuclear_NOE_val_type na
_Heteronucl_NOE_list.NOE_ref_val 0
_Heteronucl_NOE_list.NOE_ref_description .
_Heteronucl_NOE_list.Details .
_Heteronucl_NOE_list.Text_data_format .
_Heteronucl_NOE_list.Text_data .
loop_
_Heteronucl_NOE_experiment.Experiment_ID
_Heteronucl_NOE_experiment.Experiment_name
_Heteronucl_NOE_experiment.Sample_ID
_Heteronucl_NOE_experiment.Sample_label
_Heteronucl_NOE_experiment.Sample_state
_Heteronucl_NOE_experiment.Entry_ID
_Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID
1 '2D 1H-15N TROSY' . . . 52908 2
stop_
loop_
_Heteronucl_NOE_software.Software_ID
_Heteronucl_NOE_software.Software_label
_Heteronucl_NOE_software.Method_ID
_Heteronucl_NOE_software.Method_label
_Heteronucl_NOE_software.Entry_ID
_Heteronucl_NOE_software.Heteronucl_NOE_list_ID
3 $software_3 . . 52908 2
stop_
loop_
_Heteronucl_NOE.ID
_Heteronucl_NOE.Assembly_atom_ID_1
_Heteronucl_NOE.Entity_assembly_ID_1
_Heteronucl_NOE.Entity_ID_1
_Heteronucl_NOE.Comp_index_ID_1
_Heteronucl_NOE.Seq_ID_1
_Heteronucl_NOE.Comp_ID_1
_Heteronucl_NOE.Atom_ID_1
_Heteronucl_NOE.Atom_type_1
_Heteronucl_NOE.Atom_isotope_number_1
_Heteronucl_NOE.Assembly_atom_ID_2
_Heteronucl_NOE.Entity_assembly_ID_2
_Heteronucl_NOE.Entity_ID_2
_Heteronucl_NOE.Comp_index_ID_2
_Heteronucl_NOE.Seq_ID_2
_Heteronucl_NOE.Comp_ID_2
_Heteronucl_NOE.Atom_ID_2
_Heteronucl_NOE.Atom_type_2
_Heteronucl_NOE.Atom_isotope_number_2
_Heteronucl_NOE.Val
_Heteronucl_NOE.Val_err
_Heteronucl_NOE.Resonance_ID_1
_Heteronucl_NOE.Resonance_ID_2
_Heteronucl_NOE.Auth_entity_assembly_ID_1
_Heteronucl_NOE.Auth_seq_ID_1
_Heteronucl_NOE.Auth_comp_ID_1
_Heteronucl_NOE.Auth_atom_ID_1
_Heteronucl_NOE.Auth_entity_assembly_ID_2
_Heteronucl_NOE.Auth_seq_ID_2
_Heteronucl_NOE.Auth_comp_ID_2
_Heteronucl_NOE.Auth_atom_ID_2
_Heteronucl_NOE.Entry_ID
_Heteronucl_NOE.Heteronucl_NOE_list_ID
1 . 1 1 1 1 GLY N N 15 . 1 1 1 1 GLY H H 1 0.288 0.042 . . . . . . . . . . 52908 2
2 . 1 1 2 2 GLN N N 15 . 1 1 2 2 GLN H H 1 0.474 0.057 . . . . . . . . . . 52908 2
3 . 1 1 3 3 VAL N N 15 . 1 1 3 3 VAL H H 1 0.47 0.038 . . . . . . . . . . 52908 2
4 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 0.495 0.075 . . . . . . . . . . 52908 2
5 . 1 1 5 5 VAL N N 15 . 1 1 5 5 VAL H H 1 0.661 0.039 . . . . . . . . . . 52908 2
6 . 1 1 6 6 PHE N N 15 . 1 1 6 6 PHE H H 1 0.675 0.03 . . . . . . . . . . 52908 2
7 . 1 1 7 7 ASN N N 15 . 1 1 7 7 ASN H H 1 0.678 0.015 . . . . . . . . . . 52908 2
8 . 1 1 8 8 GLY N N 15 . 1 1 8 8 GLY H H 1 0.346 0.074 . . . . . . . . . . 52908 2
9 . 1 1 9 9 GLN N N 15 . 1 1 9 9 GLN H H 1 0.767 0.009 . . . . . . . . . . 52908 2
10 . 1 1 10 10 ASP N N 15 . 1 1 10 10 ASP H H 1 0.783 0.007 . . . . . . . . . . 52908 2
11 . 1 1 11 11 THR N N 15 . 1 1 11 11 THR H H 1 0.767 0.013 . . . . . . . . . . 52908 2
12 . 1 1 12 12 ARG N N 15 . 1 1 12 12 ARG H H 1 0.744 0.01 . . . . . . . . . . 52908 2
13 . 1 1 13 13 ASP N N 15 . 1 1 13 13 ASP H H 1 0.74 0.01 . . . . . . . . . . 52908 2
14 . 1 1 14 14 GLY N N 15 . 1 1 14 14 GLY H H 1 0.759 0.021 . . . . . . . . . . 52908 2
15 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.807 0.006 . . . . . . . . . . 52908 2
16 . 1 1 16 16 ASN N N 15 . 1 1 16 16 ASN H H 1 0.817 0.006 . . . . . . . . . . 52908 2
17 . 1 1 17 17 ILE N N 15 . 1 1 17 17 ILE H H 1 0.826 0.005 . . . . . . . . . . 52908 2
18 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.829 0.006 . . . . . . . . . . 52908 2
19 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.826 0.005 . . . . . . . . . . 52908 2
20 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 0.818 0.005 . . . . . . . . . . 52908 2
21 . 1 1 21 21 GLY N N 15 . 1 1 21 21 GLY H H 1 0.791 0.015 . . . . . . . . . . 52908 2
22 . 1 1 22 22 THR N N 15 . 1 1 22 22 THR H H 1 0.786 0.018 . . . . . . . . . . 52908 2
23 . 1 1 23 23 ASP N N 15 . 1 1 23 23 ASP H H 1 0.75 0.014 . . . . . . . . . . 52908 2
24 . 1 1 24 24 GLY N N 15 . 1 1 24 24 GLY H H 1 0.678 0.017 . . . . . . . . . . 52908 2
25 . 1 1 25 25 ARG N N 15 . 1 1 25 25 ARG H H 1 0.547 0.023 . . . . . . . . . . 52908 2
26 . 1 1 26 26 ILE N N 15 . 1 1 26 26 ILE H H 1 0.415 0.029 . . . . . . . . . . 52908 2
27 . 1 1 27 27 GLY N N 15 . 1 1 27 27 GLY H H 1 0.424 0.039 . . . . . . . . . . 52908 2
28 . 1 1 28 28 GLN N N 15 . 1 1 28 28 GLN H H 1 0.394 0.046 . . . . . . . . . . 52908 2
29 . 1 1 29 29 ASN N N 15 . 1 1 29 29 ASN H H 1 0.369 0.035 . . . . . . . . . . 52908 2
30 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 0.339 0.029 . . . . . . . . . . 52908 2
31 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 0.378 0.023 . . . . . . . . . . 52908 2
32 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.424 0.026 . . . . . . . . . . 52908 2
33 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 0.549 0.029 . . . . . . . . . . 52908 2
34 . 1 1 34 34 ARG N N 15 . 1 1 34 34 ARG H H 1 0.689 0.014 . . . . . . . . . . 52908 2
35 . 1 1 35 35 THR N N 15 . 1 1 35 35 THR H H 1 0.748 0.01 . . . . . . . . . . 52908 2
36 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.782 0.009 . . . . . . . . . . 52908 2
37 . 1 1 37 37 SER N N 15 . 1 1 37 37 SER H H 1 0.763 0.028 . . . . . . . . . . 52908 2
38 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.801 0.007 . . . . . . . . . . 52908 2
39 . 1 1 39 39 MET N N 15 . 1 1 39 39 MET H H 1 0.826 0.005 . . . . . . . . . . 52908 2
40 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 0.809 0.006 . . . . . . . . . . 52908 2
41 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 0.831 0.006 . . . . . . . . . . 52908 2
42 . 1 1 42 42 ASN N N 15 . 1 1 42 42 ASN H H 1 0.823 0.005 . . . . . . . . . . 52908 2
43 . 1 1 43 43 VAL N N 15 . 1 1 43 43 VAL H H 1 0.822 0.006 . . . . . . . . . . 52908 2
44 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.818 0.005 . . . . . . . . . . 52908 2
45 . 1 1 45 45 GLY N N 15 . 1 1 45 45 GLY H H 1 0.799 0.006 . . . . . . . . . . 52908 2
46 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 0.749 0.019 . . . . . . . . . . 52908 2
47 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.732 0.014 . . . . . . . . . . 52908 2
48 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.728 0.013 . . . . . . . . . . 52908 2
49 . 1 1 49 49 LYS N N 15 . 1 1 49 49 LYS H H 1 0.697 0.017 . . . . . . . . . . 52908 2
50 . 1 1 50 50 MET N N 15 . 1 1 50 50 MET H H 1 0.776 0.008 . . . . . . . . . . 52908 2
51 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.792 0.008 . . . . . . . . . . 52908 2
52 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.821 0.005 . . . . . . . . . . 52908 2
53 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 0.824 0.005 . . . . . . . . . . 52908 2
54 . 1 1 54 54 SER N N 15 . 1 1 54 54 SER H H 1 0.82 0.006 . . . . . . . . . . 52908 2
55 . 1 1 55 55 PHE N N 15 . 1 1 55 55 PHE H H 1 0.826 0.006 . . . . . . . . . . 52908 2
56 . 1 1 56 56 MET N N 15 . 1 1 56 56 MET H H 1 0.806 0.007 . . . . . . . . . . 52908 2
57 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.807 0.006 . . . . . . . . . . 52908 2
58 . 1 1 58 58 ASP N N 15 . 1 1 58 58 ASP H H 1 0.823 0.005 . . . . . . . . . . 52908 2
59 . 1 1 59 59 ASN N N 15 . 1 1 59 59 ASN H H 1 0.819 0.005 . . . . . . . . . . 52908 2
60 . 1 1 60 60 LEU N N 15 . 1 1 60 60 LEU H H 1 0.817 0.006 . . . . . . . . . . 52908 2
61 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.807 0.007 . . . . . . . . . . 52908 2
62 . 1 1 62 62 TYR N N 15 . 1 1 62 62 TYR H H 1 0.798 0.007 . . . . . . . . . . 52908 2
63 . 1 1 63 63 ILE N N 15 . 1 1 63 63 ILE H H 1 0.782 0.01 . . . . . . . . . . 52908 2
64 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.778 0.009 . . . . . . . . . . 52908 2
65 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.751 0.01 . . . . . . . . . . 52908 2
66 . 1 1 66 66 TYR N N 15 . 1 1 66 66 TYR H H 1 0.724 0.017 . . . . . . . . . . 52908 2
67 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.54 0.036 . . . . . . . . . . 52908 2
68 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.706 0.01 . . . . . . . . . . 52908 2
69 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 0.64 0.018 . . . . . . . . . . 52908 2
70 . 1 1 70 70 ILE N N 15 . 1 1 70 70 ILE H H 1 0.636 0.021 . . . . . . . . . . 52908 2
71 . 1 1 71 71 ASN N N 15 . 1 1 71 71 ASN H H 1 0.611 0.029 . . . . . . . . . . 52908 2
72 . 1 1 72 72 GLY N N 15 . 1 1 72 72 GLY H H 1 0.624 0.026 . . . . . . . . . . 52908 2
73 . 1 1 73 73 ARG N N 15 . 1 1 73 73 ARG H H 1 0.595 0.015 . . . . . . . . . . 52908 2
74 . 1 1 74 74 LYS N N 15 . 1 1 74 74 LYS H H 1 0.602 0.015 . . . . . . . . . . 52908 2
75 . 1 1 75 75 GLN N N 15 . 1 1 75 75 GLN H H 1 0.619 0.018 . . . . . . . . . . 52908 2
76 . 1 1 76 76 THR N N 15 . 1 1 76 76 THR H H 1 0.563 0.021 . . . . . . . . . . 52908 2
77 . 1 1 77 77 ASP N N 15 . 1 1 77 77 ASP H H 1 0.606 0.074 . . . . . . . . . . 52908 2
78 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.755 0.019 . . . . . . . . . . 52908 2
79 . 1 1 79 79 LYS N N 15 . 1 1 79 79 LYS H H 1 0.808 0.006 . . . . . . . . . . 52908 2
80 . 1 1 80 80 LEU N N 15 . 1 1 80 80 LEU H H 1 0.821 0.006 . . . . . . . . . . 52908 2
81 . 1 1 81 81 ASN N N 15 . 1 1 81 81 ASN H H 1 0.821 0.006 . . . . . . . . . . 52908 2
82 . 1 1 82 82 VAL N N 15 . 1 1 82 82 VAL H H 1 0.823 0.006 . . . . . . . . . . 52908 2
83 . 1 1 83 83 ALA N N 15 . 1 1 83 83 ALA H H 1 0.828 0.005 . . . . . . . . . . 52908 2
84 . 1 1 84 84 TYR N N 15 . 1 1 84 84 TYR H H 1 0.826 0.006 . . . . . . . . . . 52908 2
85 . 1 1 85 85 GLU N N 15 . 1 1 85 85 GLU H H 1 0.821 0.006 . . . . . . . . . . 52908 2
86 . 1 1 86 86 LEU N N 15 . 1 1 86 86 LEU H H 1 0.822 0.006 . . . . . . . . . . 52908 2
87 . 1 1 87 87 GLY N N 15 . 1 1 87 87 GLY H H 1 0.821 0.006 . . . . . . . . . . 52908 2
88 . 1 1 88 88 GLU N N 15 . 1 1 88 88 GLU H H 1 0.81 0.007 . . . . . . . . . . 52908 2
89 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 0.713 0.012 . . . . . . . . . . 52908 2
90 . 1 1 90 90 GLU N N 15 . 1 1 90 90 GLU H H 1 0.725 0.012 . . . . . . . . . . 52908 2
91 . 1 1 91 91 GLY N N 15 . 1 1 91 91 GLY H H 1 0.531 0.032 . . . . . . . . . . 52908 2
92 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 0.518 0.026 . . . . . . . . . . 52908 2
93 . 1 1 93 93 LYS N N 15 . 1 1 93 93 LYS H H 1 0.656 0.014 . . . . . . . . . . 52908 2
94 . 1 1 94 94 GLY N N 15 . 1 1 94 94 GLY H H 1 0.771 0.007 . . . . . . . . . . 52908 2
95 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.799 0.006 . . . . . . . . . . 52908 2
96 . 1 1 96 96 GLU N N 15 . 1 1 96 96 GLU H H 1 0.822 0.006 . . . . . . . . . . 52908 2
97 . 1 1 97 97 MET N N 15 . 1 1 97 97 MET H H 1 0.832 0.005 . . . . . . . . . . 52908 2
98 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.829 0.005 . . . . . . . . . . 52908 2
99 . 1 1 99 99 ARG N N 15 . 1 1 99 99 ARG H H 1 0.832 0.005 . . . . . . . . . . 52908 2
100 . 1 1 100 100 GLN N N 15 . 1 1 100 100 GLN H H 1 0.83 0.005 . . . . . . . . . . 52908 2
101 . 1 1 101 101 VAL N N 15 . 1 1 101 101 VAL H H 1 0.832 0.005 . . . . . . . . . . 52908 2
102 . 1 1 102 102 LEU N N 15 . 1 1 102 102 LEU H H 1 0.835 0.005 . . . . . . . . . . 52908 2
103 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.832 0.005 . . . . . . . . . . 52908 2
104 . 1 1 104 104 ASP N N 15 . 1 1 104 104 ASP H H 1 0.831 0.005 . . . . . . . . . . 52908 2
105 . 1 1 105 105 ASN N N 15 . 1 1 105 105 ASN H H 1 0.807 0.007 . . . . . . . . . . 52908 2
106 . 1 1 106 106 PHE N N 15 . 1 1 106 106 PHE H H 1 0.81 0.006 . . . . . . . . . . 52908 2
107 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 0.813 0.006 . . . . . . . . . . 52908 2
108 . 1 1 108 108 LEU N N 15 . 1 1 108 108 LEU H H 1 0.721 0.013 . . . . . . . . . . 52908 2
109 . 1 1 109 109 ASP N N 15 . 1 1 109 109 ASP H H 1 0.808 0.008 . . . . . . . . . . 52908 2
110 . 1 1 110 110 ILE N N 15 . 1 1 110 110 ILE H H 1 0.803 0.009 . . . . . . . . . . 52908 2
111 . 1 1 111 111 LYS N N 15 . 1 1 111 111 LYS H H 1 0.817 0.006 . . . . . . . . . . 52908 2
112 . 1 1 112 112 TYR N N 15 . 1 1 112 112 TYR H H 1 0.824 0.006 . . . . . . . . . . 52908 2
113 . 1 1 113 113 TYR N N 15 . 1 1 113 113 TYR H H 1 0.829 0.005 . . . . . . . . . . 52908 2
114 . 1 1 114 114 ALA N N 15 . 1 1 114 114 ALA H H 1 0.83 0.006 . . . . . . . . . . 52908 2
115 . 1 1 115 115 LEU N N 15 . 1 1 115 115 LEU H H 1 0.826 0.006 . . . . . . . . . . 52908 2
116 . 1 1 116 116 VAL N N 15 . 1 1 116 116 VAL H H 1 0.819 0.008 . . . . . . . . . . 52908 2
117 . 1 1 117 117 ASP N N 15 . 1 1 117 117 ASP H H 1 0.804 0.007 . . . . . . . . . . 52908 2
118 . 1 1 118 118 PHE N N 15 . 1 1 118 118 PHE H H 1 0.816 0.006 . . . . . . . . . . 52908 2
119 . 1 1 119 119 GLN N N 15 . 1 1 119 119 GLN H H 1 0.79 0.007 . . . . . . . . . . 52908 2
120 . 1 1 120 120 ALA N N 15 . 1 1 120 120 ALA H H 1 0.798 0.007 . . . . . . . . . . 52908 2
121 . 1 1 121 121 PHE N N 15 . 1 1 121 121 PHE H H 1 0.799 0.009 . . . . . . . . . . 52908 2
122 . 1 1 122 122 ALA N N 15 . 1 1 122 122 ALA H H 1 0.829 0.006 . . . . . . . . . . 52908 2
123 . 1 1 123 123 THR N N 15 . 1 1 123 123 THR H H 1 0.819 0.006 . . . . . . . . . . 52908 2
124 . 1 1 124 124 ALA N N 15 . 1 1 124 124 ALA H H 1 0.825 0.006 . . . . . . . . . . 52908 2
125 . 1 1 125 125 ILE N N 15 . 1 1 125 125 ILE H H 1 0.828 0.005 . . . . . . . . . . 52908 2
126 . 1 1 126 126 ASP N N 15 . 1 1 126 126 ASP H H 1 0.828 0.005 . . . . . . . . . . 52908 2
127 . 1 1 127 127 THR N N 15 . 1 1 127 127 THR H H 1 0.819 0.006 . . . . . . . . . . 52908 2
128 . 1 1 128 128 LEU N N 15 . 1 1 128 128 LEU H H 1 0.821 0.005 . . . . . . . . . . 52908 2
129 . 1 1 129 129 PHE N N 15 . 1 1 129 129 PHE H H 1 0.821 0.006 . . . . . . . . . . 52908 2
130 . 1 1 131 131 ASP N N 15 . 1 1 131 131 ASP H H 1 0.799 0.008 . . . . . . . . . . 52908 2
131 . 1 1 132 132 GLY N N 15 . 1 1 132 132 GLY H H 1 0.808 0.006 . . . . . . . . . . 52908 2
132 . 1 1 133 133 VAL N N 15 . 1 1 133 133 VAL H H 1 0.789 0.008 . . . . . . . . . . 52908 2
133 . 1 1 134 134 THR N N 15 . 1 1 134 134 THR H H 1 0.81 0.007 . . . . . . . . . . 52908 2
134 . 1 1 135 135 ILE N N 15 . 1 1 135 135 ILE H H 1 0.817 0.007 . . . . . . . . . . 52908 2
135 . 1 1 136 136 ASP N N 15 . 1 1 136 136 ASP H H 1 0.787 0.008 . . . . . . . . . . 52908 2
136 . 1 1 137 137 ALA N N 15 . 1 1 137 137 ALA H H 1 0.757 0.014 . . . . . . . . . . 52908 2
137 . 1 1 138 138 GLN N N 15 . 1 1 138 138 GLN H H 1 0.757 0.011 . . . . . . . . . . 52908 2
138 . 1 1 139 139 PHE N N 15 . 1 1 139 139 PHE H H 1 0.722 0.012 . . . . . . . . . . 52908 2
139 . 1 1 140 140 SER N N 15 . 1 1 140 140 SER H H 1 0.766 0.011 . . . . . . . . . . 52908 2
140 . 1 1 141 141 THR N N 15 . 1 1 141 141 THR H H 1 0.698 0.022 . . . . . . . . . . 52908 2
141 . 1 1 142 142 LEU N N 15 . 1 1 142 142 LEU H H 1 0.777 0.008 . . . . . . . . . . 52908 2
142 . 1 1 143 143 ASN N N 15 . 1 1 143 143 ASN H H 1 0.678 0.014 . . . . . . . . . . 52908 2
143 . 1 1 144 144 GLY N N 15 . 1 1 144 144 GLY H H 1 0.727 0.012 . . . . . . . . . . 52908 2
144 . 1 1 145 145 ARG N N 15 . 1 1 145 145 ARG H H 1 0.764 0.008 . . . . . . . . . . 52908 2
145 . 1 1 147 147 LEU N N 15 . 1 1 147 147 LEU H H 1 0.717 0.017 . . . . . . . . . . 52908 2
146 . 1 1 148 148 THR N N 15 . 1 1 148 148 THR H H 1 0.771 0.011 . . . . . . . . . . 52908 2
147 . 1 1 149 149 GLU N N 15 . 1 1 149 149 GLU H H 1 0.754 0.008 . . . . . . . . . . 52908 2
148 . 1 1 150 150 ALA N N 15 . 1 1 150 150 ALA H H 1 0.781 0.009 . . . . . . . . . . 52908 2
149 . 1 1 151 151 THR N N 15 . 1 1 151 151 THR H H 1 0.745 0.016 . . . . . . . . . . 52908 2
150 . 1 1 152 152 VAL N N 15 . 1 1 152 152 VAL H H 1 0.722 0.024 . . . . . . . . . . 52908 2
151 . 1 1 153 153 GLY N N 15 . 1 1 153 153 GLY H H 1 0.61 0.086 . . . . . . . . . . 52908 2
152 . 1 1 154 154 ASP N N 15 . 1 1 154 154 ASP H H 1 0.437 0.059 . . . . . . . . . . 52908 2
153 . 1 1 155 155 ASP N N 15 . 1 1 155 155 ASP H H 1 0.242 0.039 . . . . . . . . . . 52908 2
154 . 1 1 156 156 LEU N N 15 . 1 1 156 156 LEU H H 1 0.244 0.055 . . . . . . . . . . 52908 2
155 . 1 1 157 157 TYR N N 15 . 1 1 157 157 TYR H H 1 0.221 0.032 . . . . . . . . . . 52908 2
156 . 1 1 158 158 ALA N N 15 . 1 1 158 158 ALA H H 1 0.139 0.06 . . . . . . . . . . 52908 2
157 . 1 1 159 159 THR N N 15 . 1 1 159 159 THR H H 1 0.148 0.071 . . . . . . . . . . 52908 2
158 . 1 1 160 160 GLU N N 15 . 1 1 160 160 GLU H H 1 0.124 0.057 . . . . . . . . . . 52908 2
159 . 1 1 161 161 THR N N 15 . 1 1 161 161 THR H H 1 0.088 0.054 . . . . . . . . . . 52908 2
160 . 1 1 162 162 GLU N N 15 . 1 1 162 162 GLU H H 1 0.055 0.034 . . . . . . . . . . 52908 2
161 . 1 1 163 163 SER N N 15 . 1 1 163 163 SER H H 1 0.14 0.037 . . . . . . . . . . 52908 2
162 . 1 1 165 165 THR N N 15 . 1 1 165 165 THR H H 1 0.332 0.085 . . . . . . . . . . 52908 2
163 . 1 1 166 166 GLN N N 15 . 1 1 166 166 GLN H H 1 0.52 0.047 . . . . . . . . . . 52908 2
164 . 1 1 167 167 THR N N 15 . 1 1 167 167 THR H H 1 0.672 0.019 . . . . . . . . . . 52908 2
165 . 1 1 168 168 ILE N N 15 . 1 1 168 168 ILE H H 1 0.735 0.013 . . . . . . . . . . 52908 2
166 . 1 1 169 169 LYS N N 15 . 1 1 169 169 LYS H H 1 0.707 0.01 . . . . . . . . . . 52908 2
167 . 1 1 170 170 VAL N N 15 . 1 1 170 170 VAL H H 1 0.76 0.016 . . . . . . . . . . 52908 2
168 . 1 1 171 171 GLY N N 15 . 1 1 171 171 GLY H H 1 0.75 0.011 . . . . . . . . . . 52908 2
169 . 1 1 172 172 LYS N N 15 . 1 1 172 172 LYS H H 1 0.74 0.013 . . . . . . . . . . 52908 2
170 . 1 1 173 173 GLN N N 15 . 1 1 173 173 GLN H H 1 0.749 0.019 . . . . . . . . . . 52908 2
171 . 1 1 174 174 GLN N N 15 . 1 1 174 174 GLN H H 1 0.767 0.014 . . . . . . . . . . 52908 2
172 . 1 1 175 175 MET N N 15 . 1 1 175 175 MET H H 1 0.78 0.007 . . . . . . . . . . 52908 2
173 . 1 1 176 176 ASN N N 15 . 1 1 176 176 ASN H H 1 0.818 0.006 . . . . . . . . . . 52908 2
174 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.825 0.005 . . . . . . . . . . 52908 2
175 . 1 1 178 178 SER N N 15 . 1 1 178 178 SER H H 1 0.826 0.006 . . . . . . . . . . 52908 2
176 . 1 1 179 179 THR N N 15 . 1 1 179 179 THR H H 1 0.821 0.006 . . . . . . . . . . 52908 2
177 . 1 1 180 180 LEU N N 15 . 1 1 180 180 LEU H H 1 0.832 0.005 . . . . . . . . . . 52908 2
178 . 1 1 181 181 LEU N N 15 . 1 1 181 181 LEU H H 1 0.83 0.005 . . . . . . . . . . 52908 2
179 . 1 1 182 182 ASN N N 15 . 1 1 182 182 ASN H H 1 0.825 0.005 . . . . . . . . . . 52908 2
180 . 1 1 183 183 TYR N N 15 . 1 1 183 183 TYR H H 1 0.833 0.005 . . . . . . . . . . 52908 2
181 . 1 1 184 184 ALA N N 15 . 1 1 184 184 ALA H H 1 0.834 0.005 . . . . . . . . . . 52908 2
182 . 1 1 185 185 ARG N N 15 . 1 1 185 185 ARG H H 1 0.828 0.005 . . . . . . . . . . 52908 2
183 . 1 1 186 186 PHE N N 15 . 1 1 186 186 PHE H H 1 0.808 0.008 . . . . . . . . . . 52908 2
184 . 1 1 187 187 ARG N N 15 . 1 1 187 187 ARG H H 1 0.805 0.006 . . . . . . . . . . 52908 2
185 . 1 1 188 188 ASP N N 15 . 1 1 188 188 ASP H H 1 0.806 0.007 . . . . . . . . . . 52908 2
186 . 1 1 189 189 ASP N N 15 . 1 1 189 189 ASP H H 1 0.172 0.098 . . . . . . . . . . 52908 2
187 . 1 1 190 190 ASP N N 15 . 1 1 190 190 ASP H H 1 0.761 0.011 . . . . . . . . . . 52908 2
188 . 1 1 191 191 GLU N N 15 . 1 1 191 191 GLU H H 1 0.729 0.011 . . . . . . . . . . 52908 2
189 . 1 1 192 192 ALA N N 15 . 1 1 192 192 ALA H H 1 0.796 0.007 . . . . . . . . . . 52908 2
190 . 1 1 193 193 ASP N N 15 . 1 1 193 193 ASP H H 1 0.821 0.005 . . . . . . . . . . 52908 2
191 . 1 1 194 194 TYR N N 15 . 1 1 194 194 TYR H H 1 0.828 0.005 . . . . . . . . . . 52908 2
192 . 1 1 195 195 GLY N N 15 . 1 1 195 195 GLY H H 1 0.826 0.005 . . . . . . . . . . 52908 2
193 . 1 1 196 196 ARG N N 15 . 1 1 196 196 ARG H H 1 0.83 0.005 . . . . . . . . . . 52908 2
194 . 1 1 197 197 THR N N 15 . 1 1 197 197 THR H H 1 0.829 0.005 . . . . . . . . . . 52908 2
195 . 1 1 198 198 LYS N N 15 . 1 1 198 198 LYS H H 1 0.83 0.005 . . . . . . . . . . 52908 2
196 . 1 1 199 199 ARG N N 15 . 1 1 199 199 ARG H H 1 0.831 0.005 . . . . . . . . . . 52908 2
197 . 1 1 200 200 GLN N N 15 . 1 1 200 200 GLN H H 1 0.818 0.008 . . . . . . . . . . 52908 2
198 . 1 1 201 201 GLN N N 15 . 1 1 201 201 GLN H H 1 0.832 0.005 . . . . . . . . . . 52908 2
199 . 1 1 202 202 GLN N N 15 . 1 1 202 202 GLN H H 1 0.828 0.005 . . . . . . . . . . 52908 2
200 . 1 1 203 203 VAL N N 15 . 1 1 203 203 VAL H H 1 0.83 0.005 . . . . . . . . . . 52908 2
201 . 1 1 204 204 LEU N N 15 . 1 1 204 204 LEU H H 1 0.834 0.005 . . . . . . . . . . 52908 2
202 . 1 1 205 205 THR N N 15 . 1 1 205 205 THR H H 1 0.828 0.006 . . . . . . . . . . 52908 2
203 . 1 1 206 206 ALA N N 15 . 1 1 206 206 ALA H H 1 0.828 0.005 . . . . . . . . . . 52908 2
204 . 1 1 207 207 ILE N N 15 . 1 1 207 207 ILE H H 1 0.831 0.005 . . . . . . . . . . 52908 2
205 . 1 1 208 208 LEU N N 15 . 1 1 208 208 LEU H H 1 0.828 0.005 . . . . . . . . . . 52908 2
206 . 1 1 209 209 GLU N N 15 . 1 1 209 209 GLU H H 1 0.819 0.006 . . . . . . . . . . 52908 2
207 . 1 1 210 210 GLN N N 15 . 1 1 210 210 GLN H H 1 0.811 0.008 . . . . . . . . . . 52908 2
208 . 1 1 211 211 ILE N N 15 . 1 1 211 211 ILE H H 1 0.788 0.009 . . . . . . . . . . 52908 2
209 . 1 1 212 212 LYS N N 15 . 1 1 212 212 LYS H H 1 0.713 0.018 . . . . . . . . . . 52908 2
210 . 1 1 213 213 ASP N N 15 . 1 1 213 213 ASP H H 1 0.734 0.012 . . . . . . . . . . 52908 2
211 . 1 1 215 215 THR N N 15 . 1 1 215 215 THR H H 1 0.79 0.007 . . . . . . . . . . 52908 2
212 . 1 1 216 216 LYS N N 15 . 1 1 216 216 LYS H H 1 0.762 0.009 . . . . . . . . . . 52908 2
213 . 1 1 217 217 LEU N N 15 . 1 1 217 217 LEU H H 1 0.783 0.011 . . . . . . . . . . 52908 2
214 . 1 1 218 218 PHE N N 15 . 1 1 218 218 PHE H H 1 0.797 0.008 . . . . . . . . . . 52908 2
215 . 1 1 219 219 THR N N 15 . 1 1 219 219 THR H H 1 0.747 0.014 . . . . . . . . . . 52908 2
216 . 1 1 220 220 GLY N N 15 . 1 1 220 220 GLY H H 1 0.537 0.045 . . . . . . . . . . 52908 2
217 . 1 1 221 221 SER N N 15 . 1 1 221 221 SER H H 1 0.386 0.08 . . . . . . . . . . 52908 2
218 . 1 1 222 222 GLU N N 15 . 1 1 222 222 GLU H H 1 0.699 0.016 . . . . . . . . . . 52908 2
219 . 1 1 223 223 ALA N N 15 . 1 1 223 223 ALA H H 1 0.71 0.021 . . . . . . . . . . 52908 2
220 . 1 1 224 224 LEU N N 15 . 1 1 224 224 LEU H H 1 0.795 0.007 . . . . . . . . . . 52908 2
221 . 1 1 225 225 GLY N N 15 . 1 1 225 225 GLY H H 1 0.805 0.009 . . . . . . . . . . 52908 2
222 . 1 1 226 226 LYS N N 15 . 1 1 226 226 LYS H H 1 0.819 0.006 . . . . . . . . . . 52908 2
223 . 1 1 227 227 VAL N N 15 . 1 1 227 227 VAL H H 1 0.81 0.007 . . . . . . . . . . 52908 2
224 . 1 1 228 228 PHE N N 15 . 1 1 228 228 PHE H H 1 0.814 0.007 . . . . . . . . . . 52908 2
225 . 1 1 229 229 ALA N N 15 . 1 1 229 229 ALA H H 1 0.801 0.008 . . . . . . . . . . 52908 2
226 . 1 1 230 230 MET N N 15 . 1 1 230 230 MET H H 1 0.741 0.012 . . . . . . . . . . 52908 2
227 . 1 1 231 231 THR N N 15 . 1 1 231 231 THR H H 1 0.782 0.009 . . . . . . . . . . 52908 2
228 . 1 1 232 232 SER N N 15 . 1 1 232 232 SER H H 1 0.787 0.009 . . . . . . . . . . 52908 2
229 . 1 1 233 233 THR N N 15 . 1 1 233 233 THR H H 1 0.808 0.011 . . . . . . . . . . 52908 2
230 . 1 1 234 234 ASN N N 15 . 1 1 234 234 ASN H H 1 0.823 0.007 . . . . . . . . . . 52908 2
231 . 1 1 235 235 VAL N N 15 . 1 1 235 235 VAL H H 1 0.828 0.005 . . . . . . . . . . 52908 2
232 . 1 1 237 237 TYR N N 15 . 1 1 237 237 TYR H H 1 0.809 0.01 . . . . . . . . . . 52908 2
233 . 1 1 238 238 THR N N 15 . 1 1 238 238 THR H H 1 0.815 0.007 . . . . . . . . . . 52908 2
234 . 1 1 239 239 PHE N N 15 . 1 1 239 239 PHE H H 1 0.817 0.006 . . . . . . . . . . 52908 2
235 . 1 1 240 240 LEU N N 15 . 1 1 240 240 LEU H H 1 0.815 0.006 . . . . . . . . . . 52908 2
236 . 1 1 241 241 LEU N N 15 . 1 1 241 241 LEU H H 1 0.822 0.005 . . . . . . . . . . 52908 2
237 . 1 1 242 242 THR N N 15 . 1 1 242 242 THR H H 1 0.782 0.009 . . . . . . . . . . 52908 2
238 . 1 1 243 243 ASN N N 15 . 1 1 243 243 ASN H H 1 0.786 0.012 . . . . . . . . . . 52908 2
239 . 1 1 244 244 GLY N N 15 . 1 1 244 244 GLY H H 1 0.809 0.006 . . . . . . . . . . 52908 2
240 . 1 1 245 245 LEU N N 15 . 1 1 245 245 LEU H H 1 0.806 0.006 . . . . . . . . . . 52908 2
241 . 1 1 246 246 SER N N 15 . 1 1 246 246 SER H H 1 0.813 0.006 . . . . . . . . . . 52908 2
242 . 1 1 247 247 VAL N N 15 . 1 1 247 247 VAL H H 1 0.821 0.005 . . . . . . . . . . 52908 2
243 . 1 1 248 248 LEU N N 15 . 1 1 248 248 LEU H H 1 0.814 0.006 . . . . . . . . . . 52908 2
244 . 1 1 249 249 ASP N N 15 . 1 1 249 249 ASP H H 1 0.814 0.006 . . . . . . . . . . 52908 2
245 . 1 1 250 250 GLY N N 15 . 1 1 250 250 GLY H H 1 0.819 0.007 . . . . . . . . . . 52908 2
246 . 1 1 251 251 ALA N N 15 . 1 1 251 251 ALA H H 1 0.818 0.007 . . . . . . . . . . 52908 2
247 . 1 1 252 252 LYS N N 15 . 1 1 252 252 LYS H H 1 0.816 0.006 . . . . . . . . . . 52908 2
248 . 1 1 253 253 ASN N N 15 . 1 1 253 253 ASN H H 1 0.817 0.006 . . . . . . . . . . 52908 2
249 . 1 1 254 254 GLY N N 15 . 1 1 254 254 GLY H H 1 0.769 0.01 . . . . . . . . . . 52908 2
250 . 1 1 255 255 ILE N N 15 . 1 1 255 255 ILE H H 1 0.776 0.011 . . . . . . . . . . 52908 2
251 . 1 1 256 256 GLU N N 15 . 1 1 256 256 GLU H H 1 0.791 0.007 . . . . . . . . . . 52908 2
252 . 1 1 257 257 LYS N N 15 . 1 1 257 257 LYS H H 1 0.806 0.006 . . . . . . . . . . 52908 2
253 . 1 1 258 258 LEU N N 15 . 1 1 258 258 LEU H H 1 0.801 0.006 . . . . . . . . . . 52908 2
254 . 1 1 259 259 THR N N 15 . 1 1 259 259 THR H H 1 0.813 0.006 . . . . . . . . . . 52908 2
255 . 1 1 260 260 ILE N N 15 . 1 1 260 260 ILE H H 1 0.823 0.005 . . . . . . . . . . 52908 2
256 . 1 1 262 262 GLU N N 15 . 1 1 262 262 GLU H H 1 0.752 0.01 . . . . . . . . . . 52908 2
257 . 1 1 263 263 LEU N N 15 . 1 1 263 263 LEU H H 1 0.708 0.011 . . . . . . . . . . 52908 2
258 . 1 1 264 264 GLY N N 15 . 1 1 264 264 GLY H H 1 0.674 0.015 . . . . . . . . . . 52908 2
259 . 1 1 265 265 ASP N N 15 . 1 1 265 265 ASP H H 1 0.774 0.008 . . . . . . . . . . 52908 2
260 . 1 1 266 266 TRP N N 15 . 1 1 266 266 TRP H H 1 0.7 0.025 . . . . . . . . . . 52908 2
261 . 1 1 267 267 VAL N N 15 . 1 1 267 267 VAL H H 1 0.733 0.01 . . . . . . . . . . 52908 2
262 . 1 1 268 268 ASP N N 15 . 1 1 268 268 ASP H H 1 0.655 0.016 . . . . . . . . . . 52908 2
263 . 1 1 269 269 ALA N N 15 . 1 1 269 269 ALA H H 1 0.498 0.033 . . . . . . . . . . 52908 2
264 . 1 1 270 270 TYR N N 15 . 1 1 270 270 TYR H H 1 0.461 0.077 . . . . . . . . . . 52908 2
265 . 1 1 271 271 ASP N N 15 . 1 1 271 271 ASP H H 1 0.419 0.034 . . . . . . . . . . 52908 2
266 . 1 1 272 272 VAL N N 15 . 1 1 272 272 VAL H H 1 0.318 0.05 . . . . . . . . . . 52908 2
267 . 1 1 273 273 TYR N N 15 . 1 1 273 273 TYR H H 1 0.349 0.065 . . . . . . . . . . 52908 2
268 . 1 1 274 274 GLY N N 15 . 1 1 274 274 GLY H H 1 0.295 0.054 . . . . . . . . . . 52908 2
269 . 1 1 275 275 GLY N N 15 . 1 1 275 275 GLY H H 1 0.408 0.051 . . . . . . . . . . 52908 2
270 . 1 1 276 276 LEU N N 15 . 1 1 276 276 LEU H H 1 0.475 0.021 . . . . . . . . . . 52908 2
271 . 1 1 277 277 GLY N N 15 . 1 1 277 277 GLY H H 1 0.532 0.028 . . . . . . . . . . 52908 2
272 . 1 1 278 278 LEU N N 15 . 1 1 278 278 LEU H H 1 0.753 0.008 . . . . . . . . . . 52908 2
273 . 1 1 279 279 LEU N N 15 . 1 1 279 279 LEU H H 1 0.771 0.008 . . . . . . . . . . 52908 2
274 . 1 1 280 280 VAL N N 15 . 1 1 280 280 VAL H H 1 0.747 0.01 . . . . . . . . . . 52908 2
275 . 1 1 281 281 ASP N N 15 . 1 1 281 281 ASP H H 1 0.701 0.011 . . . . . . . . . . 52908 2
276 . 1 1 282 282 GLN N N 15 . 1 1 282 282 GLN H H 1 0.669 0.01 . . . . . . . . . . 52908 2
277 . 1 1 283 283 ASN N N 15 . 1 1 283 283 ASN H H 1 0.665 0.015 . . . . . . . . . . 52908 2
278 . 1 1 284 284 LYS N N 15 . 1 1 284 284 LYS H H 1 0.698 0.017 . . . . . . . . . . 52908 2
279 . 1 1 285 285 TYR N N 15 . 1 1 285 285 TYR H H 1 0.776 0.01 . . . . . . . . . . 52908 2
280 . 1 1 286 286 GLN N N 15 . 1 1 286 286 GLN H H 1 0.818 0.006 . . . . . . . . . . 52908 2
281 . 1 1 287 287 THR N N 15 . 1 1 287 287 THR H H 1 0.813 0.006 . . . . . . . . . . 52908 2
282 . 1 1 288 288 LYS N N 15 . 1 1 288 288 LYS H H 1 0.796 0.006 . . . . . . . . . . 52908 2
283 . 1 1 289 289 LEU N N 15 . 1 1 289 289 LEU H H 1 0.818 0.006 . . . . . . . . . . 52908 2
284 . 1 1 290 290 ALA N N 15 . 1 1 290 290 ALA H H 1 0.816 0.006 . . . . . . . . . . 52908 2
285 . 1 1 291 291 GLN N N 15 . 1 1 291 291 GLN H H 1 0.809 0.006 . . . . . . . . . . 52908 2
286 . 1 1 292 292 MET N N 15 . 1 1 292 292 MET H H 1 0.803 0.006 . . . . . . . . . . 52908 2
287 . 1 1 293 293 GLY N N 15 . 1 1 293 293 GLY H H 1 0.734 0.01 . . . . . . . . . . 52908 2
288 . 1 1 294 294 LEU N N 15 . 1 1 294 294 LEU H H 1 0.726 0.012 . . . . . . . . . . 52908 2
289 . 1 1 295 295 ARG N N 15 . 1 1 295 295 ARG H H 1 0.688 0.012 . . . . . . . . . . 52908 2
stop_
save_
########################################
# Heteronuclear T1 relaxation values #
########################################
save_heteronucl_T1_relaxation_1
_Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation
_Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1
_Heteronucl_T1_list.Entry_ID 52908
_Heteronucl_T1_list.ID 1
_Heteronucl_T1_list.Name 'experimental R1'
_Heteronucl_T1_list.Sample_condition_list_ID 1
_Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T1_list.Spectrometer_frequency_1H 600
_Heteronucl_T1_list.T1_coherence_type Iz
_Heteronucl_T1_list.T1_val_units s-1
_Heteronucl_T1_list.Details .
_Heteronucl_T1_list.Text_data_format .
_Heteronucl_T1_list.Text_data .
loop_
_Heteronucl_T1_experiment.Experiment_ID
_Heteronucl_T1_experiment.Experiment_name
_Heteronucl_T1_experiment.Sample_ID
_Heteronucl_T1_experiment.Sample_label
_Heteronucl_T1_experiment.Sample_state
_Heteronucl_T1_experiment.Entry_ID
_Heteronucl_T1_experiment.Heteronucl_T1_list_ID
1 '2D 1H-15N TROSY' . . . 52908 1
stop_
loop_
_Heteronucl_T1_software.Software_ID
_Heteronucl_T1_software.Software_label
_Heteronucl_T1_software.Method_ID
_Heteronucl_T1_software.Method_label
_Heteronucl_T1_software.Entry_ID
_Heteronucl_T1_software.Heteronucl_T1_list_ID
3 $software_3 . . 52908 1
stop_
loop_
_T1.ID
_T1.Assembly_atom_ID
_T1.Entity_assembly_ID
_T1.Entity_ID
_T1.Comp_index_ID
_T1.Seq_ID
_T1.Comp_ID
_T1.Atom_ID
_T1.Atom_type
_T1.Atom_isotope_number
_T1.Val
_T1.Val_err
_T1.Resonance_ID
_T1.Auth_entity_assembly_ID
_T1.Auth_seq_ID
_T1.Auth_comp_ID
_T1.Auth_atom_ID
_T1.Entry_ID
_T1.Heteronucl_T1_list_ID
1 . 1 1 1 1 GLY N N 15 0.837 0.036 . . . . . 52908 1
2 . 1 1 3 3 VAL N N 15 1.221 0.033 . . . . . 52908 1
3 . 1 1 4 4 GLU N N 15 1.245 0.028 . . . . . 52908 1
4 . 1 1 5 5 VAL N N 15 1.046 0.018 . . . . . 52908 1
5 . 1 1 6 6 PHE N N 15 0.960 0.017 . . . . . 52908 1
6 . 1 1 7 7 ASN N N 15 0.798 0.011 . . . . . 52908 1
7 . 1 1 8 8 GLY N N 15 0.780 0.014 . . . . . 52908 1
8 . 1 1 9 9 GLN N N 15 0.833 0.017 . . . . . 52908 1
9 . 1 1 10 10 ASP N N 15 0.807 0.012 . . . . . 52908 1
10 . 1 1 11 11 THR N N 15 0.782 0.017 . . . . . 52908 1
11 . 1 1 12 12 ARG N N 15 0.838 0.019 . . . . . 52908 1
12 . 1 1 13 13 ASP N N 15 0.850 0.015 . . . . . 52908 1
13 . 1 1 14 14 GLY N N 15 0.776 0.010 . . . . . 52908 1
14 . 1 1 15 15 VAL N N 15 0.791 0.020 . . . . . 52908 1
15 . 1 1 16 16 ASN N N 15 0.830 0.024 . . . . . 52908 1
16 . 1 1 17 17 ILE N N 15 0.799 0.028 . . . . . 52908 1
17 . 1 1 18 18 LEU N N 15 0.815 0.025 . . . . . 52908 1
18 . 1 1 19 19 ILE N N 15 0.764 0.041 . . . . . 52908 1
19 . 1 1 24 24 GLY N N 15 1.093 0.042 . . . . . 52908 1
20 . 1 1 25 25 ARG N N 15 1.173 0.023 . . . . . 52908 1
21 . 1 1 26 26 ILE N N 15 1.240 0.023 . . . . . 52908 1
22 . 1 1 27 27 GLY N N 15 1.354 0.048 . . . . . 52908 1
23 . 1 1 28 28 GLN N N 15 1.118 0.034 . . . . . 52908 1
24 . 1 1 29 29 ASN N N 15 1.083 0.025 . . . . . 52908 1
25 . 1 1 31 31 VAL N N 15 0.987 0.021 . . . . . 52908 1
26 . 1 1 32 32 GLU N N 15 1.268 0.025 . . . . . 52908 1
27 . 1 1 33 33 THR N N 15 1.221 0.039 . . . . . 52908 1
28 . 1 1 34 34 ARG N N 15 0.835 0.018 . . . . . 52908 1
29 . 1 1 36 36 ASP N N 15 0.925 0.043 . . . . . 52908 1
30 . 1 1 38 38 ILE N N 15 0.893 0.038 . . . . . 52908 1
31 . 1 1 39 39 MET N N 15 0.769 0.076 . . . . . 52908 1
32 . 1 1 40 40 VAL N N 15 0.799 0.022 . . . . . 52908 1
33 . 1 1 41 41 LEU N N 15 0.919 0.047 . . . . . 52908 1
34 . 1 1 43 43 VAL N N 15 0.878 0.022 . . . . . 52908 1
35 . 1 1 44 44 GLY N N 15 0.851 0.017 . . . . . 52908 1
36 . 1 1 45 45 GLY N N 15 0.890 0.019 . . . . . 52908 1
37 . 1 1 46 46 SER N N 15 0.857 0.015 . . . . . 52908 1
38 . 1 1 47 47 ASP N N 15 0.959 0.021 . . . . . 52908 1
39 . 1 1 48 48 LYS N N 15 0.880 0.016 . . . . . 52908 1
40 . 1 1 49 49 LYS N N 15 0.834 0.015 . . . . . 52908 1
41 . 1 1 50 50 MET N N 15 0.858 0.020 . . . . . 52908 1
42 . 1 1 52 52 LEU N N 15 0.831 0.016 . . . . . 52908 1
43 . 1 1 55 55 PHE N N 15 0.884 0.029 . . . . . 52908 1
44 . 1 1 56 56 MET N N 15 0.860 0.024 . . . . . 52908 1
45 . 1 1 57 57 ARG N N 15 0.940 0.033 . . . . . 52908 1
46 . 1 1 58 58 ASP N N 15 0.894 0.037 . . . . . 52908 1
47 . 1 1 59 59 ASN N N 15 0.784 0.024 . . . . . 52908 1
48 . 1 1 60 60 LEU N N 15 0.844 0.016 . . . . . 52908 1
49 . 1 1 61 61 VAL N N 15 0.847 0.016 . . . . . 52908 1
50 . 1 1 62 62 TYR N N 15 0.835 0.016 . . . . . 52908 1
51 . 1 1 63 63 ILE N N 15 0.776 0.015 . . . . . 52908 1
52 . 1 1 64 64 ASP N N 15 0.817 0.012 . . . . . 52908 1
53 . 1 1 65 65 GLY N N 15 0.787 0.012 . . . . . 52908 1
54 . 1 1 66 66 TYR N N 15 0.828 0.017 . . . . . 52908 1
55 . 1 1 67 67 SER N N 15 0.685 0.016 . . . . . 52908 1
56 . 1 1 68 68 GLN N N 15 0.782 0.010 . . . . . 52908 1
57 . 1 1 69 69 VAL N N 15 0.786 0.007 . . . . . 52908 1
58 . 1 1 70 70 ILE N N 15 0.795 0.012 . . . . . 52908 1
59 . 1 1 72 72 GLY N N 15 0.887 0.035 . . . . . 52908 1
60 . 1 1 73 73 ARG N N 15 0.798 0.016 . . . . . 52908 1
61 . 1 1 74 74 LYS N N 15 0.875 0.041 . . . . . 52908 1
62 . 1 1 75 75 GLN N N 15 0.814 0.014 . . . . . 52908 1
63 . 1 1 76 76 THR N N 15 0.783 0.015 . . . . . 52908 1
64 . 1 1 77 77 ASP N N 15 0.777 0.018 . . . . . 52908 1
65 . 1 1 78 78 ASN N N 15 0.841 0.013 . . . . . 52908 1
66 . 1 1 79 79 LYS N N 15 0.787 0.011 . . . . . 52908 1
67 . 1 1 80 80 LEU N N 15 0.838 0.019 . . . . . 52908 1
68 . 1 1 81 81 ASN N N 15 1.019 0.030 . . . . . 52908 1
69 . 1 1 85 85 GLU N N 15 0.949 0.041 . . . . . 52908 1
70 . 1 1 86 86 LEU N N 15 0.908 0.022 . . . . . 52908 1
71 . 1 1 87 87 GLY N N 15 0.874 0.019 . . . . . 52908 1
72 . 1 1 88 88 GLU N N 15 0.898 0.016 . . . . . 52908 1
73 . 1 1 89 89 GLN N N 15 0.907 0.014 . . . . . 52908 1
74 . 1 1 90 90 GLU N N 15 0.884 0.015 . . . . . 52908 1
75 . 1 1 91 91 GLY N N 15 0.906 0.016 . . . . . 52908 1
76 . 1 1 92 92 GLN N N 15 1.025 0.021 . . . . . 52908 1
77 . 1 1 93 93 LYS N N 15 0.897 0.018 . . . . . 52908 1
78 . 1 1 94 94 GLY N N 15 0.822 0.065 . . . . . 52908 1
79 . 1 1 95 95 ALA N N 15 0.937 0.025 . . . . . 52908 1
80 . 1 1 97 97 MET N N 15 0.860 0.030 . . . . . 52908 1
81 . 1 1 98 98 VAL N N 15 0.860 0.018 . . . . . 52908 1
82 . 1 1 99 99 ARG N N 15 0.869 0.021 . . . . . 52908 1
83 . 1 1 100 100 GLN N N 15 0.855 0.014 . . . . . 52908 1
84 . 1 1 101 101 VAL N N 15 0.811 0.009 . . . . . 52908 1
85 . 1 1 102 102 LEU N N 15 0.890 0.025 . . . . . 52908 1
86 . 1 1 103 103 LYS N N 15 0.906 0.023 . . . . . 52908 1
87 . 1 1 104 104 ASP N N 15 0.839 0.015 . . . . . 52908 1
88 . 1 1 107 107 ASP N N 15 0.886 0.023 . . . . . 52908 1
89 . 1 1 108 108 LEU N N 15 0.841 0.022 . . . . . 52908 1
90 . 1 1 109 109 ASP N N 15 0.854 0.023 . . . . . 52908 1
91 . 1 1 110 110 ILE N N 15 0.816 0.016 . . . . . 52908 1
92 . 1 1 111 111 LYS N N 15 0.859 0.018 . . . . . 52908 1
93 . 1 1 112 112 TYR N N 15 0.831 0.021 . . . . . 52908 1
94 . 1 1 117 117 ASP N N 15 0.741 0.023 . . . . . 52908 1
95 . 1 1 118 118 PHE N N 15 0.863 0.024 . . . . . 52908 1
96 . 1 1 119 119 GLN N N 15 0.829 0.027 . . . . . 52908 1
97 . 1 1 120 120 ALA N N 15 0.844 0.020 . . . . . 52908 1
98 . 1 1 121 121 PHE N N 15 0.874 0.035 . . . . . 52908 1
99 . 1 1 126 126 ASP N N 15 0.835 0.031 . . . . . 52908 1
100 . 1 1 131 131 ASP N N 15 0.865 0.028 . . . . . 52908 1
101 . 1 1 132 132 GLY N N 15 0.850 0.016 . . . . . 52908 1
102 . 1 1 133 133 VAL N N 15 0.813 0.013 . . . . . 52908 1
103 . 1 1 134 134 THR N N 15 0.799 0.020 . . . . . 52908 1
104 . 1 1 135 135 ILE N N 15 0.763 0.010 . . . . . 52908 1
105 . 1 1 136 136 ASP N N 15 0.833 0.012 . . . . . 52908 1
106 . 1 1 137 137 ALA N N 15 0.736 0.009 . . . . . 52908 1
107 . 1 1 138 138 GLN N N 15 0.851 0.020 . . . . . 52908 1
108 . 1 1 139 139 PHE N N 15 0.789 0.011 . . . . . 52908 1
109 . 1 1 140 140 SER N N 15 0.843 0.017 . . . . . 52908 1
110 . 1 1 141 141 THR N N 15 0.954 0.036 . . . . . 52908 1
111 . 1 1 142 142 LEU N N 15 0.824 0.015 . . . . . 52908 1
112 . 1 1 143 143 ASN N N 15 0.856 0.023 . . . . . 52908 1
113 . 1 1 144 144 GLY N N 15 0.867 0.013 . . . . . 52908 1
114 . 1 1 145 145 ARG N N 15 0.869 0.013 . . . . . 52908 1
115 . 1 1 147 147 LEU N N 15 0.777 0.007 . . . . . 52908 1
116 . 1 1 148 148 THR N N 15 0.891 0.052 . . . . . 52908 1
117 . 1 1 149 149 GLU N N 15 0.915 0.022 . . . . . 52908 1
118 . 1 1 150 150 ALA N N 15 0.830 0.013 . . . . . 52908 1
119 . 1 1 151 151 THR N N 15 0.820 0.014 . . . . . 52908 1
120 . 1 1 152 152 VAL N N 15 0.877 0.014 . . . . . 52908 1
121 . 1 1 153 153 GLY N N 15 1.145 0.017 . . . . . 52908 1
122 . 1 1 154 154 ASP N N 15 1.184 0.021 . . . . . 52908 1
123 . 1 1 155 155 ASP N N 15 1.338 0.029 . . . . . 52908 1
124 . 1 1 156 156 LEU N N 15 1.380 0.031 . . . . . 52908 1
125 . 1 1 157 157 TYR N N 15 1.370 0.019 . . . . . 52908 1
126 . 1 1 158 158 ALA N N 15 1.446 0.038 . . . . . 52908 1
127 . 1 1 159 159 THR N N 15 1.344 0.047 . . . . . 52908 1
128 . 1 1 160 160 GLU N N 15 1.370 0.044 . . . . . 52908 1
129 . 1 1 161 161 THR N N 15 1.352 0.050 . . . . . 52908 1
130 . 1 1 162 162 GLU N N 15 1.386 0.043 . . . . . 52908 1
131 . 1 1 163 163 SER N N 15 1.223 0.041 . . . . . 52908 1
132 . 1 1 165 165 THR N N 15 1.097 0.032 . . . . . 52908 1
133 . 1 1 166 166 GLN N N 15 1.207 0.036 . . . . . 52908 1
134 . 1 1 167 167 THR N N 15 0.970 0.019 . . . . . 52908 1
135 . 1 1 168 168 ILE N N 15 0.788 0.011 . . . . . 52908 1
136 . 1 1 169 169 LYS N N 15 0.793 0.009 . . . . . 52908 1
137 . 1 1 170 170 VAL N N 15 0.769 0.006 . . . . . 52908 1
138 . 1 1 171 171 GLY N N 15 0.776 0.012 . . . . . 52908 1
139 . 1 1 172 172 LYS N N 15 0.907 0.021 . . . . . 52908 1
140 . 1 1 173 173 GLN N N 15 0.797 0.016 . . . . . 52908 1
141 . 1 1 174 174 GLN N N 15 0.801 0.012 . . . . . 52908 1
142 . 1 1 175 175 MET N N 15 0.778 0.010 . . . . . 52908 1
143 . 1 1 176 176 ASN N N 15 0.833 0.014 . . . . . 52908 1
144 . 1 1 177 177 GLY N N 15 0.795 0.011 . . . . . 52908 1
145 . 1 1 178 178 SER N N 15 0.807 0.012 . . . . . 52908 1
146 . 1 1 179 179 THR N N 15 0.903 0.019 . . . . . 52908 1
147 . 1 1 180 180 LEU N N 15 0.862 0.017 . . . . . 52908 1
148 . 1 1 181 181 LEU N N 15 0.813 0.015 . . . . . 52908 1
149 . 1 1 182 182 ASN N N 15 0.808 0.017 . . . . . 52908 1
150 . 1 1 183 183 TYR N N 15 0.856 0.022 . . . . . 52908 1
151 . 1 1 184 184 ALA N N 15 0.892 0.022 . . . . . 52908 1
152 . 1 1 189 189 ASP N N 15 0.821 0.013 . . . . . 52908 1
153 . 1 1 190 190 ASP N N 15 0.832 0.020 . . . . . 52908 1
154 . 1 1 191 191 GLU N N 15 0.836 0.010 . . . . . 52908 1
155 . 1 1 192 192 ALA N N 15 0.894 0.019 . . . . . 52908 1
156 . 1 1 195 195 GLY N N 15 1.025 0.056 . . . . . 52908 1
157 . 1 1 196 196 ARG N N 15 1.180 0.047 . . . . . 52908 1
158 . 1 1 199 199 ARG N N 15 1.323 0.031 . . . . . 52908 1
159 . 1 1 200 200 GLN N N 15 0.917 0.017 . . . . . 52908 1
160 . 1 1 202 202 GLN N N 15 0.853 0.029 . . . . . 52908 1
161 . 1 1 205 205 THR N N 15 0.905 0.017 . . . . . 52908 1
162 . 1 1 206 206 ALA N N 15 0.851 0.012 . . . . . 52908 1
163 . 1 1 207 207 ILE N N 15 0.781 0.022 . . . . . 52908 1
164 . 1 1 209 209 GLU N N 15 0.833 0.027 . . . . . 52908 1
165 . 1 1 211 211 ILE N N 15 0.850 0.017 . . . . . 52908 1
166 . 1 1 212 212 LYS N N 15 0.930 0.031 . . . . . 52908 1
167 . 1 1 215 215 THR N N 15 1.063 0.027 . . . . . 52908 1
168 . 1 1 224 224 LEU N N 15 0.557 0.043 . . . . . 52908 1
169 . 1 1 225 225 GLY N N 15 1.042 0.033 . . . . . 52908 1
170 . 1 1 231 231 THR N N 15 1.225 0.064 . . . . . 52908 1
171 . 1 1 232 232 SER N N 15 1.113 0.047 . . . . . 52908 1
172 . 1 1 233 233 THR N N 15 0.803 0.018 . . . . . 52908 1
173 . 1 1 235 235 VAL N N 15 0.828 0.018 . . . . . 52908 1
174 . 1 1 237 237 TYR N N 15 0.831 0.016 . . . . . 52908 1
175 . 1 1 238 238 THR N N 15 0.924 0.074 . . . . . 52908 1
176 . 1 1 244 244 GLY N N 15 1.126 0.050 . . . . . 52908 1
177 . 1 1 245 245 LEU N N 15 1.011 0.026 . . . . . 52908 1
178 . 1 1 246 246 SER N N 15 0.893 0.041 . . . . . 52908 1
179 . 1 1 251 251 ALA N N 15 1.004 0.033 . . . . . 52908 1
180 . 1 1 252 252 LYS N N 15 1.097 0.040 . . . . . 52908 1
181 . 1 1 253 253 ASN N N 15 1.124 0.071 . . . . . 52908 1
182 . 1 1 254 254 GLY N N 15 0.975 0.017 . . . . . 52908 1
183 . 1 1 255 255 ILE N N 15 1.029 0.022 . . . . . 52908 1
184 . 1 1 256 256 GLU N N 15 0.822 0.012 . . . . . 52908 1
185 . 1 1 257 257 LYS N N 15 0.819 0.008 . . . . . 52908 1
186 . 1 1 258 258 LEU N N 15 0.837 0.018 . . . . . 52908 1
187 . 1 1 259 259 THR N N 15 0.890 0.016 . . . . . 52908 1
188 . 1 1 260 260 ILE N N 15 0.834 0.016 . . . . . 52908 1
189 . 1 1 262 262 GLU N N 15 0.823 0.019 . . . . . 52908 1
190 . 1 1 263 263 LEU N N 15 0.776 0.031 . . . . . 52908 1
191 . 1 1 264 264 GLY N N 15 0.791 0.039 . . . . . 52908 1
192 . 1 1 265 265 ASP N N 15 0.884 0.017 . . . . . 52908 1
193 . 1 1 266 266 TRP N N 15 0.775 0.012 . . . . . 52908 1
194 . 1 1 267 267 VAL N N 15 0.806 0.012 . . . . . 52908 1
195 . 1 1 268 268 ASP N N 15 0.785 0.007 . . . . . 52908 1
196 . 1 1 269 269 ALA N N 15 0.742 0.012 . . . . . 52908 1
197 . 1 1 270 270 TYR N N 15 0.753 0.008 . . . . . 52908 1
198 . 1 1 271 271 ASP N N 15 0.774 0.014 . . . . . 52908 1
199 . 1 1 272 272 VAL N N 15 1.011 0.023 . . . . . 52908 1
200 . 1 1 273 273 TYR N N 15 0.960 0.018 . . . . . 52908 1
201 . 1 1 274 274 GLY N N 15 0.817 0.010 . . . . . 52908 1
202 . 1 1 275 275 GLY N N 15 0.847 0.013 . . . . . 52908 1
203 . 1 1 276 276 LEU N N 15 0.844 0.023 . . . . . 52908 1
204 . 1 1 277 277 GLY N N 15 0.758 0.012 . . . . . 52908 1
205 . 1 1 278 278 LEU N N 15 0.822 0.015 . . . . . 52908 1
206 . 1 1 279 279 LEU N N 15 0.797 0.011 . . . . . 52908 1
207 . 1 1 280 280 VAL N N 15 0.821 0.012 . . . . . 52908 1
208 . 1 1 281 281 ASP N N 15 0.830 0.019 . . . . . 52908 1
209 . 1 1 282 282 GLN N N 15 0.775 0.014 . . . . . 52908 1
210 . 1 1 283 283 ASN N N 15 0.855 0.032 . . . . . 52908 1
211 . 1 1 284 284 LYS N N 15 0.846 0.015 . . . . . 52908 1
212 . 1 1 285 285 TYR N N 15 0.846 0.016 . . . . . 52908 1
213 . 1 1 286 286 GLN N N 15 0.819 0.014 . . . . . 52908 1
214 . 1 1 287 287 THR N N 15 1.050 0.025 . . . . . 52908 1
215 . 1 1 288 288 LYS N N 15 0.826 0.017 . . . . . 52908 1
216 . 1 1 289 289 LEU N N 15 0.818 0.017 . . . . . 52908 1
217 . 1 1 290 290 ALA N N 15 0.818 0.013 . . . . . 52908 1
218 . 1 1 291 291 GLN N N 15 0.834 0.016 . . . . . 52908 1
219 . 1 1 292 292 MET N N 15 0.793 0.010 . . . . . 52908 1
220 . 1 1 293 293 GLY N N 15 0.793 0.016 . . . . . 52908 1
221 . 1 1 294 294 LEU N N 15 0.888 0.017 . . . . . 52908 1
222 . 1 1 295 295 ARG N N 15 0.851 0.016 . . . . . 52908 1
stop_
save_
save_heteronucl_T1_relaxation_2
_Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation
_Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_2
_Heteronucl_T1_list.Entry_ID 52908
_Heteronucl_T1_list.ID 2
_Heteronucl_T1_list.Name 'calculated R1'
_Heteronucl_T1_list.Sample_condition_list_ID 1
_Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1
_Heteronucl_T1_list.Spectrometer_frequency_1H 600
_Heteronucl_T1_list.T1_coherence_type Iz
_Heteronucl_T1_list.T1_val_units s-1
_Heteronucl_T1_list.Details .
_Heteronucl_T1_list.Text_data_format .
_Heteronucl_T1_list.Text_data .
loop_
_Heteronucl_T1_experiment.Experiment_ID
_Heteronucl_T1_experiment.Experiment_name
_Heteronucl_T1_experiment.Sample_ID
_Heteronucl_T1_experiment.Sample_label
_Heteronucl_T1_experiment.Sample_state
_Heteronucl_T1_experiment.Entry_ID
_Heteronucl_T1_experiment.Heteronucl_T1_list_ID
1 '2D 1H-15N TROSY' . . . 52908 2
stop_
loop_
_Heteronucl_T1_software.Software_ID
_Heteronucl_T1_software.Software_label
_Heteronucl_T1_software.Method_ID
_Heteronucl_T1_software.Method_label
_Heteronucl_T1_software.Entry_ID
_Heteronucl_T1_software.Heteronucl_T1_list_ID
3 $software_3 . . 52908 2
stop_
loop_
_T1.ID
_T1.Assembly_atom_ID
_T1.Entity_assembly_ID
_T1.Entity_ID
_T1.Comp_index_ID
_T1.Seq_ID
_T1.Comp_ID
_T1.Atom_ID
_T1.Atom_type
_T1.Atom_isotope_number
_T1.Val
_T1.Val_err
_T1.Resonance_ID
_T1.Auth_entity_assembly_ID
_T1.Auth_seq_ID
_T1.Auth_comp_ID
_T1.Auth_atom_ID
_T1.Entry_ID
_T1.Heteronucl_T1_list_ID
1 . 1 1 1 1 GLY N N 15 0.91 0.059 . . . . . 52908 2
2 . 1 1 2 2 GLN N N 15 0.887 0.06 . . . . . 52908 2
3 . 1 1 3 3 VAL N N 15 0.907 0.06 . . . . . 52908 2
4 . 1 1 4 4 GLU N N 15 0.956 0.077 . . . . . 52908 2
5 . 1 1 5 5 VAL N N 15 0.918 0.11 . . . . . 52908 2
6 . 1 1 6 6 PHE N N 15 1.004 0.091 . . . . . 52908 2
7 . 1 1 7 7 ASN N N 15 0.892 0.038 . . . . . 52908 2
8 . 1 1 8 8 GLY N N 15 0.795 0.043 . . . . . 52908 2
9 . 1 1 9 9 GLN N N 15 0.883 0.033 . . . . . 52908 2
10 . 1 1 10 10 ASP N N 15 0.853 0.032 . . . . . 52908 2
11 . 1 1 11 11 THR N N 15 0.818 0.031 . . . . . 52908 2
12 . 1 1 12 12 ARG N N 15 0.871 0.032 . . . . . 52908 2
13 . 1 1 13 13 ASP N N 15 0.919 0.036 . . . . . 52908 2
14 . 1 1 14 14 GLY N N 15 0.864 0.032 . . . . . 52908 2
15 . 1 1 15 15 VAL N N 15 0.898 0.033 . . . . . 52908 2
16 . 1 1 16 16 ASN N N 15 0.901 0.033 . . . . . 52908 2
17 . 1 1 17 17 ILE N N 15 0.908 0.034 . . . . . 52908 2
18 . 1 1 18 18 LEU N N 15 0.909 0.034 . . . . . 52908 2
19 . 1 1 19 19 ILE N N 15 0.888 0.033 . . . . . 52908 2
20 . 1 1 20 20 MET N N 15 0.902 0.033 . . . . . 52908 2
21 . 1 1 21 21 GLY N N 15 0.88 0.033 . . . . . 52908 2
22 . 1 1 22 22 THR N N 15 0.904 0.033 . . . . . 52908 2
23 . 1 1 23 23 ASP N N 15 0.917 0.034 . . . . . 52908 2
24 . 1 1 24 24 GLY N N 15 1.051 0.068 . . . . . 52908 2
25 . 1 1 25 25 ARG N N 15 0.955 0.044 . . . . . 52908 2
26 . 1 1 26 26 ILE N N 15 1.122 0.078 . . . . . 52908 2
27 . 1 1 27 27 GLY N N 15 1.199 0.082 . . . . . 52908 2
28 . 1 1 28 28 GLN N N 15 1.16 0.058 . . . . . 52908 2
29 . 1 1 29 29 ASN N N 15 1.208 0.068 . . . . . 52908 2
30 . 1 1 30 30 SER N N 15 1.28 0.054 . . . . . 52908 2
31 . 1 1 31 31 VAL N N 15 1.152 0.058 . . . . . 52908 2
32 . 1 1 32 32 GLU N N 15 1.296 0.056 . . . . . 52908 2
33 . 1 1 33 33 THR N N 15 1.158 0.058 . . . . . 52908 2
34 . 1 1 34 34 ARG N N 15 1.029 0.039 . . . . . 52908 2
35 . 1 1 35 35 THR N N 15 0.944 0.036 . . . . . 52908 2
36 . 1 1 36 36 ASP N N 15 0.917 0.034 . . . . . 52908 2
37 . 1 1 37 37 SER N N 15 0.893 0.033 . . . . . 52908 2
38 . 1 1 38 38 ILE N N 15 0.903 0.037 . . . . . 52908 2
39 . 1 1 39 39 MET N N 15 0.914 0.034 . . . . . 52908 2
40 . 1 1 40 40 VAL N N 15 0.902 0.033 . . . . . 52908 2
41 . 1 1 41 41 LEU N N 15 0.909 0.034 . . . . . 52908 2
42 . 1 1 42 42 ASN N N 15 0.893 0.033 . . . . . 52908 2
43 . 1 1 43 43 VAL N N 15 0.903 0.033 . . . . . 52908 2
44 . 1 1 44 44 GLY N N 15 0.863 0.032 . . . . . 52908 2
45 . 1 1 45 45 GLY N N 15 0.86 0.032 . . . . . 52908 2
46 . 1 1 46 46 SER N N 15 0.91 0.035 . . . . . 52908 2
47 . 1 1 47 47 ASP N N 15 0.823 0.031 . . . . . 52908 2
48 . 1 1 48 48 LYS N N 15 0.887 0.033 . . . . . 52908 2
49 . 1 1 49 49 LYS N N 15 0.867 0.032 . . . . . 52908 2
50 . 1 1 50 50 MET N N 15 0.887 0.033 . . . . . 52908 2
51 . 1 1 51 51 LYS N N 15 0.877 0.033 . . . . . 52908 2
52 . 1 1 52 52 LEU N N 15 0.907 0.034 . . . . . 52908 2
53 . 1 1 53 53 VAL N N 15 0.905 0.033 . . . . . 52908 2
54 . 1 1 54 54 SER N N 15 0.903 0.033 . . . . . 52908 2
55 . 1 1 55 55 PHE N N 15 0.905 0.033 . . . . . 52908 2
56 . 1 1 56 56 MET N N 15 0.908 0.034 . . . . . 52908 2
57 . 1 1 57 57 ARG N N 15 0.902 0.033 . . . . . 52908 2
58 . 1 1 58 58 ASP N N 15 0.912 0.034 . . . . . 52908 2
59 . 1 1 59 59 ASN N N 15 0.905 0.033 . . . . . 52908 2
60 . 1 1 60 60 LEU N N 15 0.903 0.033 . . . . . 52908 2
61 . 1 1 61 61 VAL N N 15 0.902 0.033 . . . . . 52908 2
62 . 1 1 62 62 TYR N N 15 0.908 0.034 . . . . . 52908 2
63 . 1 1 63 63 ILE N N 15 0.911 0.034 . . . . . 52908 2
64 . 1 1 64 64 ASP N N 15 0.899 0.033 . . . . . 52908 2
65 . 1 1 65 65 GLY N N 15 0.809 0.03 . . . . . 52908 2
66 . 1 1 66 66 TYR N N 15 0.81 0.042 . . . . . 52908 2
67 . 1 1 67 67 SER N N 15 0.892 0.038 . . . . . 52908 2
68 . 1 1 68 68 GLN N N 15 0.867 0.033 . . . . . 52908 2
69 . 1 1 69 69 VAL N N 15 0.918 0.035 . . . . . 52908 2
70 . 1 1 70 70 ILE N N 15 0.994 0.067 . . . . . 52908 2
71 . 1 1 71 71 ASN N N 15 0.903 0.034 . . . . . 52908 2
72 . 1 1 72 72 GLY N N 15 0.893 0.034 . . . . . 52908 2
73 . 1 1 73 73 ARG N N 15 0.889 0.04 . . . . . 52908 2
74 . 1 1 74 74 LYS N N 15 0.916 0.034 . . . . . 52908 2
75 . 1 1 75 75 GLN N N 15 0.894 0.033 . . . . . 52908 2
76 . 1 1 76 76 THR N N 15 0.909 0.046 . . . . . 52908 2
77 . 1 1 77 77 ASP N N 15 0.887 0.033 . . . . . 52908 2
78 . 1 1 78 78 ASN N N 15 0.905 0.034 . . . . . 52908 2
79 . 1 1 79 79 LYS N N 15 0.895 0.033 . . . . . 52908 2
80 . 1 1 80 80 LEU N N 15 0.913 0.034 . . . . . 52908 2
81 . 1 1 81 81 ASN N N 15 0.915 0.034 . . . . . 52908 2
82 . 1 1 82 82 VAL N N 15 0.91 0.034 . . . . . 52908 2
83 . 1 1 83 83 ALA N N 15 0.911 0.034 . . . . . 52908 2
84 . 1 1 84 84 TYR N N 15 0.917 0.034 . . . . . 52908 2
85 . 1 1 85 85 GLU N N 15 0.927 0.034 . . . . . 52908 2
86 . 1 1 86 86 LEU N N 15 0.929 0.034 . . . . . 52908 2
87 . 1 1 87 87 GLY N N 15 0.911 0.034 . . . . . 52908 2
88 . 1 1 88 88 GLU N N 15 0.922 0.034 . . . . . 52908 2
89 . 1 1 89 89 GLN N N 15 0.921 0.035 . . . . . 52908 2
90 . 1 1 90 90 GLU N N 15 0.896 0.034 . . . . . 52908 2
91 . 1 1 91 91 GLY N N 15 0.856 0.035 . . . . . 52908 2
92 . 1 1 92 92 GLN N N 15 0.994 0.041 . . . . . 52908 2
93 . 1 1 93 93 LYS N N 15 0.94 0.036 . . . . . 52908 2
94 . 1 1 94 94 GLY N N 15 0.91 0.034 . . . . . 52908 2
95 . 1 1 95 95 ALA N N 15 0.895 0.033 . . . . . 52908 2
96 . 1 1 96 96 GLU N N 15 0.912 0.034 . . . . . 52908 2
97 . 1 1 97 97 MET N N 15 0.925 0.034 . . . . . 52908 2
98 . 1 1 98 98 VAL N N 15 0.919 0.034 . . . . . 52908 2
99 . 1 1 99 99 ARG N N 15 0.925 0.034 . . . . . 52908 2
100 . 1 1 100 100 GLN N N 15 0.923 0.034 . . . . . 52908 2
101 . 1 1 101 101 VAL N N 15 0.922 0.034 . . . . . 52908 2
102 . 1 1 102 102 LEU N N 15 0.926 0.034 . . . . . 52908 2
103 . 1 1 103 103 LYS N N 15 0.922 0.034 . . . . . 52908 2
104 . 1 1 104 104 ASP N N 15 0.919 0.034 . . . . . 52908 2
105 . 1 1 105 105 ASN N N 15 0.892 0.033 . . . . . 52908 2
106 . 1 1 106 106 PHE N N 15 0.88 0.033 . . . . . 52908 2
107 . 1 1 107 107 ASP N N 15 0.892 0.033 . . . . . 52908 2
108 . 1 1 108 108 LEU N N 15 0.825 0.031 . . . . . 52908 2
109 . 1 1 109 109 ASP N N 15 0.89 0.033 . . . . . 52908 2
110 . 1 1 110 110 ILE N N 15 0.882 0.033 . . . . . 52908 2
111 . 1 1 111 111 LYS N N 15 0.894 0.033 . . . . . 52908 2
112 . 1 1 112 112 TYR N N 15 0.882 0.033 . . . . . 52908 2
113 . 1 1 113 113 TYR N N 15 0.912 0.034 . . . . . 52908 2
114 . 1 1 114 114 ALA N N 15 0.909 0.034 . . . . . 52908 2
115 . 1 1 115 115 LEU N N 15 0.895 0.033 . . . . . 52908 2
116 . 1 1 116 116 VAL N N 15 0.908 0.034 . . . . . 52908 2
117 . 1 1 117 117 ASP N N 15 0.894 0.033 . . . . . 52908 2
118 . 1 1 118 118 PHE N N 15 0.902 0.033 . . . . . 52908 2
119 . 1 1 119 119 GLN N N 15 0.894 0.033 . . . . . 52908 2
120 . 1 1 120 120 ALA N N 15 0.861 0.032 . . . . . 52908 2
121 . 1 1 121 121 PHE N N 15 0.866 0.032 . . . . . 52908 2
122 . 1 1 122 122 ALA N N 15 0.916 0.034 . . . . . 52908 2
123 . 1 1 123 123 THR N N 15 0.907 0.033 . . . . . 52908 2
124 . 1 1 124 124 ALA N N 15 0.909 0.034 . . . . . 52908 2
125 . 1 1 125 125 ILE N N 15 0.921 0.034 . . . . . 52908 2
126 . 1 1 126 126 ASP N N 15 0.917 0.034 . . . . . 52908 2
127 . 1 1 127 127 THR N N 15 0.874 0.032 . . . . . 52908 2
128 . 1 1 128 128 LEU N N 15 0.908 0.034 . . . . . 52908 2
129 . 1 1 129 129 PHE N N 15 0.907 0.034 . . . . . 52908 2
130 . 1 1 131 131 ASP N N 15 0.859 0.032 . . . . . 52908 2
131 . 1 1 132 132 GLY N N 15 0.839 0.031 . . . . . 52908 2
132 . 1 1 133 133 VAL N N 15 0.911 0.034 . . . . . 52908 2
133 . 1 1 134 134 THR N N 15 0.923 0.035 . . . . . 52908 2
134 . 1 1 135 135 ILE N N 15 0.914 0.034 . . . . . 52908 2
135 . 1 1 136 136 ASP N N 15 0.894 0.033 . . . . . 52908 2
136 . 1 1 137 137 ALA N N 15 0.927 0.038 . . . . . 52908 2
137 . 1 1 138 138 GLN N N 15 0.922 0.034 . . . . . 52908 2
138 . 1 1 139 139 PHE N N 15 0.909 0.034 . . . . . 52908 2
139 . 1 1 140 140 SER N N 15 0.949 0.036 . . . . . 52908 2
140 . 1 1 141 141 THR N N 15 0.931 0.065 . . . . . 52908 2
141 . 1 1 142 142 LEU N N 15 0.991 0.059 . . . . . 52908 2
142 . 1 1 143 143 ASN N N 15 0.933 0.037 . . . . . 52908 2
143 . 1 1 144 144 GLY N N 15 0.936 0.038 . . . . . 52908 2
144 . 1 1 145 145 ARG N N 15 0.853 0.038 . . . . . 52908 2
145 . 1 1 147 147 LEU N N 15 0.936 0.046 . . . . . 52908 2
146 . 1 1 148 148 THR N N 15 0.927 0.039 . . . . . 52908 2
147 . 1 1 149 149 GLU N N 15 0.878 0.033 . . . . . 52908 2
148 . 1 1 150 150 ALA N N 15 0.904 0.034 . . . . . 52908 2
149 . 1 1 151 151 THR N N 15 0.862 0.035 . . . . . 52908 2
150 . 1 1 152 152 VAL N N 15 0.962 0.054 . . . . . 52908 2
151 . 1 1 153 153 GLY N N 15 1.056 0.046 . . . . . 52908 2
152 . 1 1 154 154 ASP N N 15 1.121 0.053 . . . . . 52908 2
153 . 1 1 155 155 ASP N N 15 1.306 0.059 . . . . . 52908 2
154 . 1 1 156 156 LEU N N 15 1.365 0.058 . . . . . 52908 2
155 . 1 1 157 157 TYR N N 15 1.366 0.056 . . . . . 52908 2
156 . 1 1 158 158 ALA N N 15 1.209 0.054 . . . . . 52908 2
157 . 1 1 159 159 THR N N 15 1.18 0.049 . . . . . 52908 2
158 . 1 1 160 160 GLU N N 15 1.284 0.059 . . . . . 52908 2
159 . 1 1 161 161 THR N N 15 1.097 0.049 . . . . . 52908 2
160 . 1 1 162 162 GLU N N 15 1.14 0.064 . . . . . 52908 2
161 . 1 1 163 163 SER N N 15 1.081 0.06 . . . . . 52908 2
162 . 1 1 165 165 THR N N 15 1.141 0.085 . . . . . 52908 2
163 . 1 1 166 166 GLN N N 15 1.275 0.143 . . . . . 52908 2
164 . 1 1 167 167 THR N N 15 1.129 0.092 . . . . . 52908 2
165 . 1 1 168 168 ILE N N 15 0.925 0.038 . . . . . 52908 2
166 . 1 1 169 169 LYS N N 15 0.893 0.038 . . . . . 52908 2
167 . 1 1 170 170 VAL N N 15 0.924 0.038 . . . . . 52908 2
168 . 1 1 171 171 GLY N N 15 0.909 0.035 . . . . . 52908 2
169 . 1 1 172 172 LYS N N 15 0.879 0.033 . . . . . 52908 2
170 . 1 1 173 173 GLN N N 15 0.907 0.034 . . . . . 52908 2
171 . 1 1 174 174 GLN N N 15 0.888 0.033 . . . . . 52908 2
172 . 1 1 175 175 MET N N 15 0.887 0.033 . . . . . 52908 2
173 . 1 1 176 176 ASN N N 15 0.888 0.033 . . . . . 52908 2
174 . 1 1 177 177 GLY N N 15 0.914 0.034 . . . . . 52908 2
175 . 1 1 178 178 SER N N 15 0.91 0.034 . . . . . 52908 2
176 . 1 1 179 179 THR N N 15 0.903 0.033 . . . . . 52908 2
177 . 1 1 180 180 LEU N N 15 0.926 0.034 . . . . . 52908 2
178 . 1 1 181 181 LEU N N 15 0.921 0.034 . . . . . 52908 2
179 . 1 1 182 182 ASN N N 15 0.921 0.034 . . . . . 52908 2
180 . 1 1 183 183 TYR N N 15 0.923 0.034 . . . . . 52908 2
181 . 1 1 184 184 ALA N N 15 0.92 0.034 . . . . . 52908 2
182 . 1 1 185 185 ARG N N 15 0.903 0.033 . . . . . 52908 2
183 . 1 1 186 186 PHE N N 15 0.877 0.032 . . . . . 52908 2
184 . 1 1 187 187 ARG N N 15 0.909 0.034 . . . . . 52908 2
185 . 1 1 188 188 ASP N N 15 0.886 0.033 . . . . . 52908 2
186 . 1 1 189 189 ASP N N 15 0.851 0.033 . . . . . 52908 2
187 . 1 1 190 190 ASP N N 15 0.935 0.035 . . . . . 52908 2
188 . 1 1 191 191 GLU N N 15 0.915 0.037 . . . . . 52908 2
189 . 1 1 192 192 ALA N N 15 0.91 0.034 . . . . . 52908 2
190 . 1 1 193 193 ASP N N 15 0.894 0.033 . . . . . 52908 2
191 . 1 1 194 194 TYR N N 15 0.915 0.034 . . . . . 52908 2
192 . 1 1 195 195 GLY N N 15 0.916 0.034 . . . . . 52908 2
193 . 1 1 196 196 ARG N N 15 0.924 0.034 . . . . . 52908 2
194 . 1 1 197 197 THR N N 15 0.919 0.034 . . . . . 52908 2
195 . 1 1 198 198 LYS N N 15 0.922 0.034 . . . . . 52908 2
196 . 1 1 199 199 ARG N N 15 0.916 0.034 . . . . . 52908 2
197 . 1 1 200 200 GLN N N 15 0.917 0.034 . . . . . 52908 2
198 . 1 1 201 201 GLN N N 15 0.915 0.034 . . . . . 52908 2
199 . 1 1 202 202 GLN N N 15 0.912 0.034 . . . . . 52908 2
200 . 1 1 203 203 VAL N N 15 0.923 0.034 . . . . . 52908 2
201 . 1 1 204 204 LEU N N 15 0.924 0.034 . . . . . 52908 2
202 . 1 1 205 205 THR N N 15 0.916 0.034 . . . . . 52908 2
203 . 1 1 206 206 ALA N N 15 0.92 0.034 . . . . . 52908 2
204 . 1 1 207 207 ILE N N 15 0.915 0.034 . . . . . 52908 2
205 . 1 1 208 208 LEU N N 15 0.913 0.034 . . . . . 52908 2
206 . 1 1 209 209 GLU N N 15 0.909 0.034 . . . . . 52908 2
207 . 1 1 210 210 GLN N N 15 0.906 0.034 . . . . . 52908 2
208 . 1 1 211 211 ILE N N 15 0.912 0.034 . . . . . 52908 2
209 . 1 1 212 212 LYS N N 15 0.895 0.033 . . . . . 52908 2
210 . 1 1 213 213 ASP N N 15 0.899 0.04 . . . . . 52908 2
211 . 1 1 215 215 THR N N 15 0.914 0.034 . . . . . 52908 2
212 . 1 1 216 216 LYS N N 15 0.909 0.034 . . . . . 52908 2
213 . 1 1 217 217 LEU N N 15 0.924 0.035 . . . . . 52908 2
214 . 1 1 218 218 PHE N N 15 0.947 0.035 . . . . . 52908 2
215 . 1 1 219 219 THR N N 15 0.944 0.036 . . . . . 52908 2
216 . 1 1 220 220 GLY N N 15 1.198 0.066 . . . . . 52908 2
217 . 1 1 221 221 SER N N 15 1.134 0.092 . . . . . 52908 2
218 . 1 1 222 222 GLU N N 15 0.945 0.037 . . . . . 52908 2
219 . 1 1 223 223 ALA N N 15 0.955 0.039 . . . . . 52908 2
220 . 1 1 224 224 LEU N N 15 0.925 0.034 . . . . . 52908 2
221 . 1 1 225 225 GLY N N 15 0.913 0.034 . . . . . 52908 2
222 . 1 1 226 226 LYS N N 15 0.909 0.034 . . . . . 52908 2
223 . 1 1 227 227 VAL N N 15 0.924 0.035 . . . . . 52908 2
224 . 1 1 228 228 PHE N N 15 0.928 0.035 . . . . . 52908 2
225 . 1 1 229 229 ALA N N 15 0.893 0.034 . . . . . 52908 2
226 . 1 1 230 230 MET N N 15 0.902 0.036 . . . . . 52908 2
227 . 1 1 231 231 THR N N 15 0.872 0.033 . . . . . 52908 2
228 . 1 1 232 232 SER N N 15 0.873 0.032 . . . . . 52908 2
229 . 1 1 233 233 THR N N 15 0.885 0.033 . . . . . 52908 2
230 . 1 1 234 234 ASN N N 15 0.892 0.033 . . . . . 52908 2
231 . 1 1 235 235 VAL N N 15 0.903 0.033 . . . . . 52908 2
232 . 1 1 237 237 TYR N N 15 0.928 0.035 . . . . . 52908 2
233 . 1 1 238 238 THR N N 15 0.954 0.036 . . . . . 52908 2
234 . 1 1 239 239 PHE N N 15 0.909 0.034 . . . . . 52908 2
235 . 1 1 240 240 LEU N N 15 0.934 0.035 . . . . . 52908 2
236 . 1 1 241 241 LEU N N 15 0.932 0.035 . . . . . 52908 2
237 . 1 1 242 242 THR N N 15 0.919 0.034 . . . . . 52908 2
238 . 1 1 243 243 ASN N N 15 0.938 0.038 . . . . . 52908 2
239 . 1 1 244 244 GLY N N 15 0.882 0.033 . . . . . 52908 2
240 . 1 1 245 245 LEU N N 15 0.913 0.034 . . . . . 52908 2
241 . 1 1 246 246 SER N N 15 0.923 0.035 . . . . . 52908 2
242 . 1 1 247 247 VAL N N 15 0.92 0.034 . . . . . 52908 2
243 . 1 1 248 248 LEU N N 15 0.92 0.034 . . . . . 52908 2
244 . 1 1 249 249 ASP N N 15 0.925 0.034 . . . . . 52908 2
245 . 1 1 250 250 GLY N N 15 0.91 0.034 . . . . . 52908 2
246 . 1 1 251 251 ALA N N 15 0.916 0.034 . . . . . 52908 2
247 . 1 1 252 252 LYS N N 15 0.914 0.034 . . . . . 52908 2
248 . 1 1 253 253 ASN N N 15 0.886 0.033 . . . . . 52908 2
249 . 1 1 254 254 GLY N N 15 0.88 0.033 . . . . . 52908 2
250 . 1 1 255 255 ILE N N 15 0.896 0.034 . . . . . 52908 2
251 . 1 1 256 256 GLU N N 15 0.905 0.033 . . . . . 52908 2
252 . 1 1 257 257 LYS N N 15 0.863 0.032 . . . . . 52908 2
253 . 1 1 258 258 LEU N N 15 0.858 0.032 . . . . . 52908 2
254 . 1 1 259 259 THR N N 15 0.875 0.032 . . . . . 52908 2
255 . 1 1 260 260 ILE N N 15 0.912 0.034 . . . . . 52908 2
256 . 1 1 262 262 GLU N N 15 0.945 0.035 . . . . . 52908 2
257 . 1 1 263 263 LEU N N 15 0.948 0.035 . . . . . 52908 2
258 . 1 1 264 264 GLY N N 15 0.877 0.033 . . . . . 52908 2
259 . 1 1 265 265 ASP N N 15 0.909 0.034 . . . . . 52908 2
260 . 1 1 266 266 TRP N N 15 0.925 0.036 . . . . . 52908 2
261 . 1 1 267 267 VAL N N 15 0.941 0.035 . . . . . 52908 2
262 . 1 1 268 268 ASP N N 15 0.964 0.043 . . . . . 52908 2
263 . 1 1 269 269 ALA N N 15 0.959 0.068 . . . . . 52908 2
264 . 1 1 270 270 TYR N N 15 0.928 0.064 . . . . . 52908 2
265 . 1 1 271 271 ASP N N 15 1.047 0.091 . . . . . 52908 2
266 . 1 1 272 272 VAL N N 15 1.148 0.094 . . . . . 52908 2
267 . 1 1 273 273 TYR N N 15 1.147 0.086 . . . . . 52908 2
268 . 1 1 274 274 GLY N N 15 1.136 0.103 . . . . . 52908 2
269 . 1 1 275 275 GLY N N 15 1.129 0.101 . . . . . 52908 2
270 . 1 1 276 276 LEU N N 15 1.055 0.069 . . . . . 52908 2
271 . 1 1 277 277 GLY N N 15 1.1 0.108 . . . . . 52908 2
272 . 1 1 278 278 LEU N N 15 0.897 0.034 . . . . . 52908 2
273 . 1 1 279 279 LEU N N 15 0.895 0.033 . . . . . 52908 2
274 . 1 1 280 280 VAL N N 15 0.923 0.035 . . . . . 52908 2
275 . 1 1 281 281 ASP N N 15 0.947 0.035 . . . . . 52908 2
276 . 1 1 282 282 GLN N N 15 0.931 0.035 . . . . . 52908 2
277 . 1 1 283 283 ASN N N 15 0.951 0.039 . . . . . 52908 2
278 . 1 1 284 284 LYS N N 15 0.942 0.036 . . . . . 52908 2
279 . 1 1 285 285 TYR N N 15 0.92 0.034 . . . . . 52908 2
280 . 1 1 286 286 GLN N N 15 0.907 0.033 . . . . . 52908 2
281 . 1 1 287 287 THR N N 15 0.917 0.034 . . . . . 52908 2
282 . 1 1 288 288 LYS N N 15 0.913 0.034 . . . . . 52908 2
283 . 1 1 289 289 LEU N N 15 0.927 0.034 . . . . . 52908 2
284 . 1 1 290 290 ALA N N 15 0.924 0.034 . . . . . 52908 2
285 . 1 1 291 291 GLN N N 15 0.919 0.034 . . . . . 52908 2
286 . 1 1 292 292 MET N N 15 0.903 0.033 . . . . . 52908 2
287 . 1 1 293 293 GLY N N 15 0.881 0.033 . . . . . 52908 2
288 . 1 1 294 294 LEU N N 15 0.911 0.035 . . . . . 52908 2
289 . 1 1 295 295 ARG N N 15 0.896 0.036 . . . . . 52908 2
stop_
save_
######################
# Order parameters #
######################
save_order_parameters_1
_Order_parameter_list.Sf_category order_parameters
_Order_parameter_list.Sf_framecode order_parameters_1
_Order_parameter_list.Entry_ID 52908
_Order_parameter_list.ID 1
_Order_parameter_list.Name 'calculated S2'
_Order_parameter_list.Sample_condition_list_ID 1
_Order_parameter_list.Sample_condition_list_label $sample_conditions_1
_Order_parameter_list.Tau_e_val_units .
_Order_parameter_list.Tau_f_val_units .
_Order_parameter_list.Tau_s_val_units .
_Order_parameter_list.Rex_field_strength .
_Order_parameter_list.Rex_val_units .
_Order_parameter_list.Details .
_Order_parameter_list.Text_data_format .
_Order_parameter_list.Text_data .
loop_
_Order_parameter_software.Software_ID
_Order_parameter_software.Software_label
_Order_parameter_software.Method_ID
_Order_parameter_software.Method_label
_Order_parameter_software.Entry_ID
_Order_parameter_software.Order_parameter_list_ID
3 $software_3 . . 52908 1
stop_
loop_
_Order_param.ID
_Order_param.Assembly_atom_ID
_Order_param.Entity_assembly_ID
_Order_param.Entity_ID
_Order_param.Comp_index_ID
_Order_param.Seq_ID
_Order_param.Comp_ID
_Order_param.Atom_ID
_Order_param.Atom_type
_Order_param.Atom_isotope_number
_Order_param.Order_param_val
_Order_param.Order_param_val_fit_err
_Order_param.Tau_e_val
_Order_param.Tau_e_val_fit_err
_Order_param.Tau_f_val
_Order_param.Tau_f_val_fit_err
_Order_param.Tau_s_val
_Order_param.Tau_s_val_fit_err
_Order_param.Rex_val
_Order_param.Rex_val_fit_err
_Order_param.Model_free_sum_squared_errs
_Order_param.Model_fit
_Order_param.Sf2_val
_Order_param.Sf2_val_fit_err
_Order_param.Ss2_val
_Order_param.Ss2_val_fit_err
_Order_param.SH2_val
_Order_param.SH2_val_fit_err
_Order_param.SN2_val
_Order_param.SN2_val_fit_err
_Order_param.Resonance_ID
_Order_param.Auth_entity_assembly_ID
_Order_param.Auth_seq_ID
_Order_param.Auth_comp_ID
_Order_param.Auth_atom_ID
_Order_param.Entry_ID
_Order_param.Order_parameter_list_ID
1 . 1 1 1 1 GLY N N 15 0.297 0.101 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
2 . 1 1 2 2 GLN N N 15 0.405 0.123 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
3 . 1 1 3 3 VAL N N 15 0.343 0.129 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
4 . 1 1 4 4 GLU N N 15 0.409 0.15 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
5 . 1 1 5 5 VAL N N 15 0.438 0.114 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
6 . 1 1 6 6 PHE N N 15 0.629 0.109 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
7 . 1 1 7 7 ASN N N 15 0.699 0.035 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
8 . 1 1 8 8 GLY N N 15 0.403 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
9 . 1 1 9 9 GLN N N 15 0.814 0.015 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
10 . 1 1 10 10 ASP N N 15 0.831 0.006 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
11 . 1 1 11 11 THR N N 15 0.795 0.008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
12 . 1 1 12 12 ARG N N 15 0.831 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
13 . 1 1 13 13 ASP N N 15 0.641 0.061 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
14 . 1 1 14 14 GLY N N 15 0.804 0.019 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
15 . 1 1 15 15 VAL N N 15 0.886 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
16 . 1 1 16 16 ASN N N 15 0.899 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
17 . 1 1 17 17 ILE N N 15 0.919 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
18 . 1 1 18 18 LEU N N 15 0.92 0.0007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
19 . 1 1 19 19 ILE N N 15 0.896 0.0008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
20 . 1 1 20 20 MET N N 15 0.898 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
21 . 1 1 21 21 GLY N N 15 0.867 0.012 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
22 . 1 1 22 22 THR N N 15 0.874 0.01 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
23 . 1 1 23 23 ASP N N 15 0.838 0.009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
24 . 1 1 24 24 GLY N N 15 0.695 0.033 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
25 . 1 1 25 25 ARG N N 15 0.312 0.067 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
26 . 1 1 26 26 ILE N N 15 0.318 0.085 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
27 . 1 1 27 27 GLY N N 15 0.24 0.012 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
28 . 1 1 28 28 GLN N N 15 0.187 0.018 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
29 . 1 1 29 29 ASN N N 15 0.153 0.011 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
30 . 1 1 30 30 SER N N 15 0.057 0.017 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
31 . 1 1 31 31 VAL N N 15 0.156 0.016 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
32 . 1 1 32 32 GLU N N 15 0.259 0.014 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
33 . 1 1 33 33 THR N N 15 0.48 0.006 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
34 . 1 1 34 34 ARG N N 15 0.682 0.013 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
35 . 1 1 35 35 THR N N 15 0.806 0.007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
36 . 1 1 36 36 ASP N N 15 0.839 0.014 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
37 . 1 1 37 37 SER N N 15 0.756 0.059 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
38 . 1 1 38 38 ILE N N 15 0.749 0.075 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
39 . 1 1 39 39 MET N N 15 0.921 0.0009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
40 . 1 1 40 40 VAL N N 15 0.904 0.0002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
41 . 1 1 41 41 LEU N N 15 0.921 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
42 . 1 1 42 42 ASN N N 15 0.901 0.0008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
43 . 1 1 43 43 VAL N N 15 0.902 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
44 . 1 1 44 44 GLY N N 15 0.855 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
45 . 1 1 45 45 GLY N N 15 0.844 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
46 . 1 1 46 46 SER N N 15 0.835 0.012 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
47 . 1 1 47 47 ASP N N 15 0.761 0.006 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
48 . 1 1 48 48 LYS N N 15 0.809 0.008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
49 . 1 1 49 49 LYS N N 15 0.778 0.012 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
50 . 1 1 50 50 MET N N 15 0.841 0.005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
51 . 1 1 51 51 LYS N N 15 0.853 0.0008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
52 . 1 1 52 52 LEU N N 15 0.91 0.0008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
53 . 1 1 53 53 VAL N N 15 0.907 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
54 . 1 1 54 54 SER N N 15 0.903 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
55 . 1 1 55 55 PHE N N 15 0.908 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
56 . 1 1 56 56 MET N N 15 0.875 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
57 . 1 1 57 57 ARG N N 15 0.871 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
58 . 1 1 58 58 ASP N N 15 0.908 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
59 . 1 1 59 59 ASN N N 15 0.9 0.0007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
60 . 1 1 60 60 LEU N N 15 0.894 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
61 . 1 1 61 61 VAL N N 15 0.892 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
62 . 1 1 62 62 TYR N N 15 0.872 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
63 . 1 1 63 63 ILE N N 15 0.879 0.005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
64 . 1 1 64 64 ASP N N 15 0.863 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
65 . 1 1 65 65 GLY N N 15 0.761 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
66 . 1 1 66 66 TYR N N 15 0.572 0.007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
67 . 1 1 67 67 SER N N 15 0.615 0.018 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
68 . 1 1 68 68 GLN N N 15 0.747 0.014 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
69 . 1 1 69 69 VAL N N 15 0.673 0.025 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
70 . 1 1 70 70 ILE N N 15 0.718 0.036 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
71 . 1 1 71 71 ASN N N 15 0.728 0.01 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
72 . 1 1 72 72 GLY N N 15 0.704 0.008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
73 . 1 1 73 73 ARG N N 15 0.668 0.014 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
74 . 1 1 74 74 LYS N N 15 0.734 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
75 . 1 1 75 75 GLN N N 15 0.723 0.015 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
76 . 1 1 76 76 THR N N 15 0.61 0.026 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
77 . 1 1 77 77 ASP N N 15 0.735 0.033 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
78 . 1 1 78 78 ASN N N 15 0.792 0.023 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
79 . 1 1 79 79 LYS N N 15 0.867 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
80 . 1 1 80 80 LEU N N 15 0.905 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
81 . 1 1 81 81 ASN N N 15 0.909 0.0008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
82 . 1 1 82 82 VAL N N 15 0.904 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
83 . 1 1 83 83 ALA N N 15 0.915 0.0006 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
84 . 1 1 84 84 TYR N N 15 0.908 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
85 . 1 1 85 85 GLU N N 15 0.906 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
86 . 1 1 86 86 LEU N N 15 0.919 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
87 . 1 1 87 87 GLY N N 15 0.896 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
88 . 1 1 88 88 GLU N N 15 0.899 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
89 . 1 1 89 89 GLN N N 15 0.846 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
90 . 1 1 90 90 GLU N N 15 0.821 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
91 . 1 1 91 91 GLY N N 15 0.598 0.02 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
92 . 1 1 92 92 GLN N N 15 0.625 0.02 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
93 . 1 1 93 93 LYS N N 15 0.728 0.008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
94 . 1 1 94 94 GLY N N 15 0.871 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
95 . 1 1 95 95 ALA N N 15 0.878 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
96 . 1 1 96 96 GLU N N 15 0.911 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
97 . 1 1 97 97 MET N N 15 0.932 0.0006 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
98 . 1 1 98 98 VAL N N 15 0.925 0.0008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
99 . 1 1 99 99 ARG N N 15 0.932 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
100 . 1 1 100 100 GLN N N 15 0.933 0.0008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
101 . 1 1 101 101 VAL N N 15 0.932 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
102 . 1 1 102 102 LEU N N 15 0.934 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
103 . 1 1 103 103 LYS N N 15 0.927 0.0009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
104 . 1 1 104 104 ASP N N 15 0.924 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
105 . 1 1 105 105 ASN N N 15 0.875 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
106 . 1 1 106 106 PHE N N 15 0.868 0.0009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
107 . 1 1 107 107 ASP N N 15 0.884 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
108 . 1 1 108 108 LEU N N 15 0.768 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
109 . 1 1 109 109 ASP N N 15 0.887 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
110 . 1 1 110 110 ILE N N 15 0.845 0.014 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
111 . 1 1 111 111 LYS N N 15 0.875 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
112 . 1 1 112 112 TYR N N 15 0.878 0.005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
113 . 1 1 113 113 TYR N N 15 0.919 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
114 . 1 1 114 114 ALA N N 15 0.918 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
115 . 1 1 115 115 LEU N N 15 0.892 0.005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
116 . 1 1 116 116 VAL N N 15 0.888 0.008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
117 . 1 1 117 117 ASP N N 15 0.864 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
118 . 1 1 118 118 PHE N N 15 0.901 0.0007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
119 . 1 1 119 119 GLN N N 15 0.874 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
120 . 1 1 120 120 ALA N N 15 0.846 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
121 . 1 1 121 121 PHE N N 15 0.847 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
122 . 1 1 122 122 ALA N N 15 0.923 0.0008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
123 . 1 1 123 123 THR N N 15 0.912 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
124 . 1 1 124 124 ALA N N 15 0.917 0.0007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
125 . 1 1 125 125 ILE N N 15 0.927 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
126 . 1 1 126 126 ASP N N 15 0.922 0.0003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
127 . 1 1 127 127 THR N N 15 0.881 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
128 . 1 1 128 128 LEU N N 15 0.903 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
129 . 1 1 129 129 PHE N N 15 0.9 0.0003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
130 . 1 1 131 131 ASP N N 15 0.821 0.0009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
131 . 1 1 132 132 GLY N N 15 0.819 0.0009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
132 . 1 1 133 133 VAL N N 15 0.843 0.006 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
133 . 1 1 134 134 THR N N 15 0.852 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
134 . 1 1 135 135 ILE N N 15 0.884 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
135 . 1 1 136 136 ASP N N 15 0.832 0.008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
136 . 1 1 137 137 ALA N N 15 0.774 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
137 . 1 1 138 138 GLN N N 15 0.825 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
138 . 1 1 139 139 PHE N N 15 0.776 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
139 . 1 1 140 140 SER N N 15 0.828 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
140 . 1 1 141 141 THR N N 15 0.591 0.071 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
141 . 1 1 142 142 LEU N N 15 0.836 0.026 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
142 . 1 1 143 143 ASN N N 15 0.792 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
143 . 1 1 144 144 GLY N N 15 0.805 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
144 . 1 1 145 145 ARG N N 15 0.74 0.005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
145 . 1 1 147 147 LEU N N 15 0.379 0.078 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
146 . 1 1 148 148 THR N N 15 0.68 0.03 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
147 . 1 1 149 149 GLU N N 15 0.8 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
148 . 1 1 150 150 ALA N N 15 0.85 0.006 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
149 . 1 1 151 151 THR N N 15 0.773 0.013 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
150 . 1 1 152 152 VAL N N 15 0.76 0.039 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
151 . 1 1 153 153 GLY N N 15 0.282 0.035 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
152 . 1 1 154 154 ASP N N 15 0.377 0.021 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
153 . 1 1 155 155 ASP N N 15 0.096 0.012 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
154 . 1 1 156 156 LEU N N 15 0.122 0.021 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
155 . 1 1 157 157 TYR N N 15 0.038 0.013 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
156 . 1 1 158 158 ALA N N 15 0.059 0.033 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
157 . 1 1 159 159 THR N N 15 0.043 0.005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
158 . 1 1 160 160 GLU N N 15 0.072 0.018 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
159 . 1 1 161 161 THR N N 15 0.026 0.011 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
160 . 1 1 162 162 GLU N N 15 0.031 0.013 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
161 . 1 1 163 163 SER N N 15 0.165 0.021 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
162 . 1 1 165 165 THR N N 15 0.217 0.029 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
163 . 1 1 166 166 GLN N N 15 0.446 0.127 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
164 . 1 1 167 167 THR N N 15 0.66 0.059 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
165 . 1 1 168 168 ILE N N 15 0.81 0.007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
166 . 1 1 169 169 LYS N N 15 0.766 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
167 . 1 1 170 170 VAL N N 15 0.811 0.019 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
168 . 1 1 171 171 GLY N N 15 0.784 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
169 . 1 1 172 172 LYS N N 15 0.782 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
170 . 1 1 173 173 GLN N N 15 0.826 0.017 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
171 . 1 1 174 174 GLN N N 15 0.794 0.017 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
172 . 1 1 175 175 MET N N 15 0.809 0.0009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
173 . 1 1 176 176 ASN N N 15 0.886 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
174 . 1 1 177 177 GLY N N 15 0.921 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
175 . 1 1 178 178 SER N N 15 0.917 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
176 . 1 1 179 179 THR N N 15 0.907 0.0003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
177 . 1 1 180 180 LEU N N 15 0.937 0.0003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
178 . 1 1 181 181 LEU N N 15 0.93 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
179 . 1 1 182 182 ASN N N 15 0.929 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
180 . 1 1 183 183 TYR N N 15 0.934 0.0002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
181 . 1 1 184 184 ALA N N 15 0.929 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
182 . 1 1 185 185 ARG N N 15 0.908 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
183 . 1 1 186 186 PHE N N 15 0.85 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
184 . 1 1 187 187 ARG N N 15 0.889 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
185 . 1 1 188 188 ASP N N 15 0.856 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
186 . 1 1 189 189 ASP N N 15 0.552 0.014 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
187 . 1 1 190 190 ASP N N 15 0.88 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
188 . 1 1 191 191 GLU N N 15 0.782 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
189 . 1 1 192 192 ALA N N 15 0.883 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
190 . 1 1 193 193 ASP N N 15 0.883 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
191 . 1 1 194 194 TYR N N 15 0.914 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
192 . 1 1 195 195 GLY N N 15 0.915 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
193 . 1 1 196 196 ARG N N 15 0.922 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
194 . 1 1 197 197 THR N N 15 0.923 0.0008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
195 . 1 1 198 198 LYS N N 15 0.929 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
196 . 1 1 199 199 ARG N N 15 0.923 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
197 . 1 1 200 200 GLN N N 15 0.913 0.0003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
198 . 1 1 201 201 GLN N N 15 0.924 0.0001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
199 . 1 1 202 202 GLN N N 15 0.919 0.0002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
200 . 1 1 203 203 VAL N N 15 0.93 0.0003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
201 . 1 1 204 204 LEU N N 15 0.932 0.0003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
202 . 1 1 205 205 THR N N 15 0.923 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
203 . 1 1 206 206 ALA N N 15 0.927 0.0007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
204 . 1 1 207 207 ILE N N 15 0.923 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
205 . 1 1 208 208 LEU N N 15 0.918 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
206 . 1 1 209 209 GLU N N 15 0.903 0.0006 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
207 . 1 1 210 210 GLN N N 15 0.875 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
208 . 1 1 211 211 ILE N N 15 0.828 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
209 . 1 1 212 212 LYS N N 15 0.75 0.013 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
210 . 1 1 213 213 ASP N N 15 0.735 0.026 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
211 . 1 1 215 215 THR N N 15 0.857 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
212 . 1 1 216 216 LYS N N 15 0.813 0.009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
213 . 1 1 217 217 LEU N N 15 0.826 0.007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
214 . 1 1 218 218 PHE N N 15 0.839 0.009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
215 . 1 1 219 219 THR N N 15 0.759 0.012 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
216 . 1 1 220 220 GLY N N 15 0.294 0.081 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
217 . 1 1 221 221 SER N N 15 0.215 0.023 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
218 . 1 1 222 222 GLU N N 15 0.765 0.005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
219 . 1 1 223 223 ALA N N 15 0.795 0.019 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
220 . 1 1 224 224 LEU N N 15 0.855 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
221 . 1 1 225 225 GLY N N 15 0.876 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
222 . 1 1 226 226 LYS N N 15 0.879 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
223 . 1 1 227 227 VAL N N 15 0.873 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
224 . 1 1 228 228 PHE N N 15 0.887 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
225 . 1 1 229 229 ALA N N 15 0.848 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
226 . 1 1 230 230 MET N N 15 0.785 0.009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
227 . 1 1 231 231 THR N N 15 0.834 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
228 . 1 1 232 232 SER N N 15 0.837 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
229 . 1 1 233 233 THR N N 15 0.864 0.012 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
230 . 1 1 234 234 ASN N N 15 0.872 0.011 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
231 . 1 1 235 235 VAL N N 15 0.892 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
232 . 1 1 237 237 TYR N N 15 0.776 0.037 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
233 . 1 1 238 238 THR N N 15 0.713 0.043 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
234 . 1 1 239 239 PHE N N 15 0.886 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
235 . 1 1 240 240 LEU N N 15 0.843 0.008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
236 . 1 1 241 241 LEU N N 15 0.854 0.008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
237 . 1 1 242 242 THR N N 15 0.815 0.013 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
238 . 1 1 243 243 ASN N N 15 0.703 0.033 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
239 . 1 1 244 244 GLY N N 15 0.823 0.005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
240 . 1 1 245 245 LEU N N 15 0.866 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
241 . 1 1 246 246 SER N N 15 0.854 0.009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
242 . 1 1 247 247 VAL N N 15 0.905 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
243 . 1 1 248 248 LEU N N 15 0.904 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
244 . 1 1 249 249 ASP N N 15 0.904 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
245 . 1 1 250 250 GLY N N 15 0.902 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
246 . 1 1 251 251 ALA N N 15 0.911 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
247 . 1 1 252 252 LYS N N 15 0.907 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
248 . 1 1 253 253 ASN N N 15 0.874 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
249 . 1 1 254 254 GLY N N 15 0.802 0.011 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
250 . 1 1 255 255 ILE N N 15 0.813 0.015 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
251 . 1 1 256 256 GLU N N 15 0.891 0.0009 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
252 . 1 1 257 257 LYS N N 15 0.855 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
253 . 1 1 258 258 LEU N N 15 0.84 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
254 . 1 1 259 259 THR N N 15 0.868 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
255 . 1 1 260 260 ILE N N 15 0.911 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
256 . 1 1 262 262 GLU N N 15 0.803 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
257 . 1 1 263 263 LEU N N 15 0.779 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
258 . 1 1 264 264 GLY N N 15 0.753 0.008 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
259 . 1 1 265 265 ASP N N 15 0.852 0.0007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
260 . 1 1 266 266 TRP N N 15 0.731 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
261 . 1 1 267 267 VAL N N 15 0.819 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
262 . 1 1 268 268 ASP N N 15 0.64 0.011 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
263 . 1 1 269 269 ALA N N 15 0.198 0.06 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
264 . 1 1 270 270 TYR N N 15 0.302 0.049 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
265 . 1 1 271 271 ASP N N 15 0.387 0.034 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
266 . 1 1 272 272 VAL N N 15 0.3 0.035 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
267 . 1 1 273 273 TYR N N 15 0.287 0.061 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
268 . 1 1 274 274 GLY N N 15 0.188 0.042 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
269 . 1 1 275 275 GLY N N 15 0.101 0.018 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
270 . 1 1 276 276 LEU N N 15 0.312 0.026 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
271 . 1 1 277 277 GLY N N 15 0.248 0.037 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
272 . 1 1 278 278 LEU N N 15 0.8 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
273 . 1 1 279 279 LEU N N 15 0.839 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
274 . 1 1 280 280 VAL N N 15 0.814 0.004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
275 . 1 1 281 281 ASP N N 15 0.788 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
276 . 1 1 282 282 GLN N N 15 0.756 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
277 . 1 1 283 283 ASN N N 15 0.697 0.017 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
278 . 1 1 284 284 LYS N N 15 0.764 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
279 . 1 1 285 285 TYR N N 15 0.871 0.003 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
280 . 1 1 286 286 GLN N N 15 0.893 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
281 . 1 1 287 287 THR N N 15 0.896 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
282 . 1 1 288 288 LYS N N 15 0.882 0.001 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
283 . 1 1 289 289 LEU N N 15 0.913 0.0004 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
284 . 1 1 290 290 ALA N N 15 0.91 0.0007 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
285 . 1 1 291 291 GLN N N 15 0.901 0.0006 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
286 . 1 1 292 292 MET N N 15 0.881 0.0005 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
287 . 1 1 293 293 GLY N N 15 0.782 0.002 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
288 . 1 1 294 294 LEU N N 15 0.79 0.006 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
289 . 1 1 295 295 ARG N N 15 0.575 0.07 . . . . . . . . . . . . . . . . . . . . . . . 52908 1
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