data_10002
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
F-spondin TSR 4
;
_BMRB_accession_number 10002
_BMRB_flat_file_name bmr10002.str
_Entry_type original
_Submission_date 2005-08-11
_Accession_date 2005-08-12
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Paakkonen Kimmo . .
2 Tossavainen Helena . .
3 Permi Perttu . .
4 Rakkolainen Harri . .
5 Rauvala Heikki . .
6 Raulo Erkki . .
7 Kilpelainen Ilkka . .
8 Guntert Peter . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 325
"13C chemical shifts" 229
"15N chemical shifts" 58
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-11-14 update BMRB 'complete entry citation'
2006-06-28 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_TSR_article
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structures of the first and fourth TSR domains of F-spondin'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16736493
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Paakkonen Kimmo . .
2 Tossavainen Helena . .
3 Permi Perttu . .
4 Rakkolainen Harri . .
5 Rauvala Heikki . .
6 Raulo Erkki . .
7 Kilpelainen Ilkka . .
8 Guntert Peter . .
stop_
_Journal_abbreviation Proteins
_Journal_volume 64
_Journal_issue 3
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 665
_Page_last 672
_Year 2006
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'F-spondin TSR4'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'F-spondin TSR 4' $F-spondin_TSR4
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state 'protein monomer'
_System_paramagnetic no
_System_thiol_state 'all disulfide bound'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_F-spondin_TSR4
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'F-spondin TSR 4'
_Molecular_mass .
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 56
_Mol_residue_sequence
;
GSIPCLLSPWSEWSDCSVTC
GKGMRTRQRMLKSLAELGDC
NEDLEQAEKCMLPECP
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 ILE 4 PRO 5 CYS
6 LEU 7 LEU 8 SER 9 PRO 10 TRP
11 SER 12 GLU 13 TRP 14 SER 15 ASP
16 CYS 17 SER 18 VAL 19 THR 20 CYS
21 GLY 22 LYS 23 GLY 24 MET 25 ARG
26 THR 27 ARG 28 GLN 29 ARG 30 MET
31 LEU 32 LYS 33 SER 34 LEU 35 ALA
36 GLU 37 LEU 38 GLY 39 ASP 40 CYS
41 ASN 42 GLU 43 ASP 44 LEU 45 GLU
46 GLN 47 ALA 48 GLU 49 LYS 50 CYS
51 MET 52 LEU 53 PRO 54 GLU 55 CYS
56 PRO
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-10-27
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 1VEX "F-Spondin Tsr Domain 4" 100.00 56 100.00 100.00 3.19e-31
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$F-spondin_TSR4 Rat 10116 Eukaryota Metazoa Rattus norvegicus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$F-spondin_TSR4 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$F-spondin_TSR4 . mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_600MHz_spectrometer_(example)
_Saveframe_category NMR_spectrometer
_Manufacturer unknown
_Model unknown
_Field_strength 0
_Details 'spectrometer information not available'
save_
#############################
# NMR applied experiments #
#############################
save_1H15N_HSQC_(example)
_Saveframe_category NMR_applied_experiment
_Experiment_name 1H15N_HSQC
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.8 0.1 pH
temperature 283 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
water H 1 protons ppm 4.9 internal indirect . . .
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_F-spondin_TSR4_assigned
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'F-spondin TSR 4'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 2 2 SER HA H 4.490 0.020 1
2 2 2 SER HB2 H 3.813 0.020 1
3 2 2 SER HB3 H 3.813 0.020 1
4 2 2 SER C C 174.246 0.400 1
5 2 2 SER CA C 58.833 0.400 1
6 2 2 SER CB C 64.269 0.400 1
7 3 3 ILE H H 8.299 0.020 1
8 3 3 ILE HA H 4.477 0.020 1
9 3 3 ILE HB H 1.813 0.020 1
10 3 3 ILE HG12 H 1.479 0.020 2
11 3 3 ILE HG13 H 1.122 0.020 2
12 3 3 ILE HG2 H 0.907 0.020 1
13 3 3 ILE HD1 H 0.811 0.020 1
14 3 3 ILE CA C 59.028 0.400 1
15 3 3 ILE CB C 39.158 0.400 1
16 3 3 ILE CG1 C 27.277 0.400 1
17 3 3 ILE CG2 C 17.516 0.400 1
18 3 3 ILE CD1 C 13.076 0.400 1
19 3 3 ILE N N 124.749 0.400 1
20 4 4 PRO HA H 4.403 0.020 1
21 4 4 PRO HB2 H 2.227 0.020 2
22 4 4 PRO HB3 H 1.820 0.020 2
23 4 4 PRO HG2 H 1.954 0.020 1
24 4 4 PRO HG3 H 1.954 0.020 1
25 4 4 PRO HD2 H 3.845 0.020 2
26 4 4 PRO HD3 H 3.692 0.020 2
27 4 4 PRO C C 176.587 0.400 1
28 4 4 PRO CA C 63.378 0.400 1
29 4 4 PRO CB C 32.546 0.400 1
30 4 4 PRO CG C 27.572 0.400 1
31 4 4 PRO CD C 51.349 0.400 1
32 5 5 CYS H H 8.585 0.020 1
33 5 5 CYS HA H 4.357 0.020 1
34 5 5 CYS HB2 H 2.954 0.020 1
35 5 5 CYS HB3 H 2.954 0.020 1
36 5 5 CYS C C 173.588 0.400 1
37 5 5 CYS CA C 56.117 0.400 1
38 5 5 CYS CB C 41.840 0.400 1
39 5 5 CYS N N 119.787 0.400 1
40 6 6 LEU H H 8.188 0.020 1
41 6 6 LEU HA H 4.377 0.020 1
42 6 6 LEU HB2 H 1.507 0.020 2
43 6 6 LEU HB3 H 1.426 0.020 2
44 6 6 LEU HG H 1.434 0.020 1
45 6 6 LEU HD1 H 0.839 0.020 2
46 6 6 LEU HD2 H 0.775 0.020 2
47 6 6 LEU C C 175.516 0.400 1
48 6 6 LEU CA C 54.966 0.400 1
49 6 6 LEU CB C 42.843 0.400 1
50 6 6 LEU CG C 27.214 0.400 1
51 6 6 LEU CD1 C 25.081 0.400 1
52 6 6 LEU CD2 C 24.093 0.400 1
53 6 6 LEU N N 124.931 0.400 1
54 7 7 LEU H H 8.450 0.020 1
55 7 7 LEU HA H 4.898 0.020 1
56 7 7 LEU HB2 H 1.399 0.020 2
57 7 7 LEU HB3 H 1.155 0.020 2
58 7 7 LEU HG H 1.375 0.020 1
59 7 7 LEU HD1 H 0.544 0.020 2
60 7 7 LEU HD2 H 0.498 0.020 2
61 7 7 LEU C C 177.083 0.400 1
62 7 7 LEU CA C 53.781 0.400 1
63 7 7 LEU CB C 45.200 0.400 1
64 7 7 LEU CG C 27.232 0.400 1
65 7 7 LEU CD1 C 25.527 0.400 1
66 7 7 LEU CD2 C 25.060 0.400 1
67 7 7 LEU N N 125.589 0.400 1
68 8 8 SER H H 8.756 0.020 1
69 8 8 SER HA H 4.477 0.020 1
70 8 8 SER HB2 H 4.241 0.020 2
71 8 8 SER HB3 H 3.649 0.020 2
72 8 8 SER CA C 57.620 0.400 1
73 8 8 SER CB C 63.155 0.400 1
74 8 8 SER N N 119.232 0.400 1
75 9 9 PRO HA H 4.303 0.020 1
76 9 9 PRO HB2 H 2.339 0.020 2
77 9 9 PRO HB3 H 1.694 0.020 2
78 9 9 PRO HG2 H 1.931 0.020 1
79 9 9 PRO HG3 H 1.931 0.020 1
80 9 9 PRO HD2 H 3.744 0.020 2
81 9 9 PRO HD3 H 3.530 0.020 2
82 9 9 PRO C C 177.183 0.400 1
83 9 9 PRO CA C 62.812 0.400 1
84 9 9 PRO CB C 32.465 0.400 1
85 9 9 PRO CG C 28.189 0.400 1
86 9 9 PRO CD C 50.747 0.400 1
87 10 10 TRP H H 8.147 0.020 1
88 10 10 TRP HA H 4.300 0.020 1
89 10 10 TRP HB2 H 2.698 0.020 2
90 10 10 TRP HB3 H 3.023 0.020 2
91 10 10 TRP HD1 H 7.147 0.020 1
92 10 10 TRP HE1 H 10.063 0.020 1
93 10 10 TRP HE3 H 6.799 0.020 1
94 10 10 TRP HZ2 H 7.243 0.020 1
95 10 10 TRP HZ3 H 6.510 0.020 1
96 10 10 TRP HH2 H 6.470 0.020 1
97 10 10 TRP C C 178.092 0.400 1
98 10 10 TRP CA C 58.268 0.400 1
99 10 10 TRP CB C 31.410 0.400 1
100 10 10 TRP CD1 C 128.046 0.400 1
101 10 10 TRP CE3 C 118.836 0.400 1
102 10 10 TRP CZ2 C 114.733 0.400 1
103 10 10 TRP CZ3 C 121.372 0.400 1
104 10 10 TRP CH2 C 123.537 0.400 1
105 10 10 TRP N N 121.957 0.400 1
106 10 10 TRP NE1 N 130.177 0.400 1
107 11 11 SER H H 9.129 0.020 1
108 11 11 SER HA H 4.384 0.020 1
109 11 11 SER HB2 H 4.109 0.020 1
110 11 11 SER HB3 H 4.109 0.020 1
111 11 11 SER C C 173.926 0.400 1
112 11 11 SER CA C 58.548 0.400 1
113 11 11 SER CB C 66.050 0.400 1
114 11 11 SER N N 118.559 0.400 1
115 12 12 GLU H H 8.572 0.020 1
116 12 12 GLU HA H 4.127 0.020 1
117 12 12 GLU HB2 H 2.139 0.020 2
118 12 12 GLU HB3 H 1.877 0.020 2
119 12 12 GLU HG2 H 2.510 0.020 2
120 12 12 GLU HG3 H 2.355 0.020 2
121 12 12 GLU C C 178.094 0.400 1
122 12 12 GLU CA C 56.758 0.400 1
123 12 12 GLU CB C 30.160 0.400 1
124 12 12 GLU CG C 36.441 0.400 1
125 12 12 GLU N N 118.462 0.400 1
126 13 13 TRP H H 8.691 0.020 1
127 13 13 TRP HA H 4.522 0.020 1
128 13 13 TRP HB2 H 2.956 0.020 2
129 13 13 TRP HB3 H 3.150 0.020 2
130 13 13 TRP HD1 H 7.245 0.020 1
131 13 13 TRP HE1 H 9.963 0.020 1
132 13 13 TRP HE3 H 7.043 0.020 1
133 13 13 TRP HZ2 H 6.980 0.020 1
134 13 13 TRP HZ3 H 6.748 0.020 1
135 13 13 TRP HH2 H 6.549 0.020 1
136 13 13 TRP C C 178.137 0.400 1
137 13 13 TRP CA C 58.573 0.400 1
138 13 13 TRP CB C 30.983 0.400 1
139 13 13 TRP CD1 C 128.035 0.400 1
140 13 13 TRP CE3 C 119.146 0.400 1
141 13 13 TRP CZ2 C 114.952 0.400 1
142 13 13 TRP CZ3 C 122.268 0.400 1
143 13 13 TRP CH2 C 123.647 0.400 1
144 13 13 TRP N N 124.802 0.400 1
145 13 13 TRP NE1 N 130.007 0.400 1
146 14 14 SER H H 9.762 0.020 1
147 14 14 SER HA H 4.457 0.020 1
148 14 14 SER HB2 H 4.164 0.020 1
149 14 14 SER HB3 H 4.164 0.020 1
150 14 14 SER C C 173.882 0.400 1
151 14 14 SER CA C 58.745 0.400 1
152 14 14 SER CB C 66.388 0.400 1
153 14 14 SER N N 119.691 0.400 1
154 15 15 ASP H H 8.648 0.020 1
155 15 15 ASP HA H 4.592 0.020 1
156 15 15 ASP HB2 H 2.765 0.020 2
157 15 15 ASP HB3 H 2.490 0.020 2
158 15 15 ASP C C 177.860 0.400 1
159 15 15 ASP CA C 55.224 0.400 1
160 15 15 ASP CB C 41.145 0.400 1
161 15 15 ASP N N 118.702 0.400 1
162 16 16 CYS H H 9.118 0.020 1
163 16 16 CYS HA H 4.439 0.020 1
164 16 16 CYS HB2 H 3.242 0.020 2
165 16 16 CYS HB3 H 2.886 0.020 2
166 16 16 CYS C C 175.353 0.400 1
167 16 16 CYS CA C 56.691 0.400 1
168 16 16 CYS CB C 40.797 0.400 1
169 16 16 CYS N N 123.553 0.400 1
170 17 17 SER H H 8.608 0.020 1
171 17 17 SER HA H 4.140 0.020 1
172 17 17 SER HB2 H 4.172 0.020 1
173 17 17 SER HB3 H 4.172 0.020 1
174 17 17 SER C C 173.503 0.400 1
175 17 17 SER CA C 61.129 0.400 1
176 17 17 SER CB C 63.149 0.400 1
177 17 17 SER N N 121.785 0.400 1
178 18 18 VAL H H 6.847 0.020 1
179 18 18 VAL HA H 4.786 0.020 1
180 18 18 VAL HB H 2.415 0.020 1
181 18 18 VAL HG1 H 0.301 0.020 2
182 18 18 VAL HG2 H 0.952 0.020 2
183 18 18 VAL C C 175.082 0.400 1
184 18 18 VAL CA C 59.028 0.400 1
185 18 18 VAL CB C 35.954 0.400 1
186 18 18 VAL CG1 C 18.568 0.400 1
187 18 18 VAL CG2 C 22.278 0.400 1
188 18 18 VAL N N 113.390 0.400 1
189 19 19 THR H H 8.625 0.020 1
190 19 19 THR HA H 4.188 0.020 1
191 19 19 THR HB H 4.306 0.020 1
192 19 19 THR HG2 H 1.146 0.020 1
193 19 19 THR C C 174.408 0.400 1
194 19 19 THR CA C 62.119 0.400 1
195 19 19 THR CB C 69.518 0.400 1
196 19 19 THR CG2 C 21.957 0.400 1
197 19 19 THR N N 108.011 0.400 1
198 20 20 CYS H H 7.529 0.020 1
199 20 20 CYS HA H 4.553 0.020 1
200 20 20 CYS HB2 H 3.295 0.020 2
201 20 20 CYS HB3 H 3.142 0.020 2
202 20 20 CYS C C 172.029 0.400 1
203 20 20 CYS CA C 54.315 0.400 1
204 20 20 CYS CB C 44.478 0.400 1
205 20 20 CYS N N 116.924 0.400 1
206 21 21 GLY H H 8.010 0.020 1
207 21 21 GLY HA2 H 4.000 0.020 2
208 21 21 GLY HA3 H 3.558 0.020 2
209 21 21 GLY C C 172.425 0.400 1
210 21 21 GLY CA C 45.713 0.400 1
211 21 21 GLY N N 112.116 0.400 1
212 22 22 LYS H H 8.173 0.020 1
213 22 22 LYS HA H 4.796 0.020 1
214 22 22 LYS HB2 H 1.839 0.020 2
215 22 22 LYS HB3 H 1.730 0.020 2
216 22 22 LYS HG2 H 1.488 0.020 2
217 22 22 LYS HG3 H 1.358 0.020 2
218 22 22 LYS HD2 H 1.624 0.020 1
219 22 22 LYS HD3 H 1.624 0.020 1
220 22 22 LYS HE2 H 2.925 0.020 1
221 22 22 LYS HE3 H 2.925 0.020 1
222 22 22 LYS C C 176.434 0.400 1
223 22 22 LYS CA C 56.520 0.400 1
224 22 22 LYS CB C 34.312 0.400 1
225 22 22 LYS CG C 25.383 0.400 1
226 22 22 LYS CD C 29.887 0.400 1
227 22 22 LYS CE C 42.253 0.400 1
228 22 22 LYS N N 121.562 0.400 1
229 23 23 GLY H H 8.765 0.020 1
230 23 23 GLY HA2 H 4.378 0.020 2
231 23 23 GLY HA3 H 3.732 0.020 2
232 23 23 GLY C C 173.314 0.400 1
233 23 23 GLY CA C 45.613 0.400 1
234 23 23 GLY N N 113.366 0.400 1
235 24 24 MET H H 8.969 0.020 1
236 24 24 MET HA H 5.464 0.020 1
237 24 24 MET HB2 H 1.860 0.020 1
238 24 24 MET HB3 H 1.860 0.020 1
239 24 24 MET HG2 H 2.529 0.020 2
240 24 24 MET HG3 H 2.357 0.020 2
241 24 24 MET HE H 1.893 0.020 1
242 24 24 MET C C 175.714 0.400 1
243 24 24 MET CA C 54.402 0.400 1
244 24 24 MET CB C 36.713 0.400 1
245 24 24 MET CG C 32.068 0.400 1
246 24 24 MET CE C 17.110 0.400 1
247 24 24 MET N N 122.188 0.400 1
248 25 25 ARG H H 9.304 0.020 1
249 25 25 ARG HA H 4.870 0.020 1
250 25 25 ARG HB2 H 2.098 0.020 2
251 25 25 ARG HB3 H 1.647 0.020 2
252 25 25 ARG HG2 H 1.245 0.020 1
253 25 25 ARG HG3 H 1.245 0.020 1
254 25 25 ARG HD2 H 2.877 0.020 2
255 25 25 ARG HD3 H 2.739 0.020 2
256 25 25 ARG HE H 6.146 0.020 1
257 25 25 ARG C C 174.773 0.400 1
258 25 25 ARG CA C 54.770 0.400 1
259 25 25 ARG CB C 34.442 0.400 1
260 25 25 ARG CG C 25.573 0.400 1
261 25 25 ARG CD C 44.507 0.400 1
262 25 25 ARG N N 120.529 0.400 1
263 25 25 ARG NE N 83.803 0.400 1
264 26 26 THR H H 8.955 0.020 1
265 26 26 THR HA H 5.994 0.020 1
266 26 26 THR HB H 4.280 0.020 1
267 26 26 THR HG2 H 1.172 0.020 1
268 26 26 THR C C 174.042 0.400 1
269 26 26 THR CA C 60.660 0.400 1
270 26 26 THR CB C 73.924 0.400 1
271 26 26 THR CG2 C 21.779 0.400 1
272 26 26 THR N N 110.359 0.400 1
273 27 27 ARG H H 8.647 0.020 1
274 27 27 ARG HA H 4.482 0.020 1
275 27 27 ARG HB2 H 1.394 0.020 2
276 27 27 ARG HB3 H 0.645 0.020 2
277 27 27 ARG HG2 H -0.359 0.020 2
278 27 27 ARG HG3 H 0.237 0.020 2
279 27 27 ARG HD2 H 1.853 0.020 2
280 27 27 ARG HD3 H 0.151 0.020 2
281 27 27 ARG HE H 6.108 0.020 1
282 27 27 ARG C C 173.996 0.400 1
283 27 27 ARG CA C 55.527 0.400 1
284 27 27 ARG CB C 33.198 0.400 1
285 27 27 ARG CG C 23.481 0.400 1
286 27 27 ARG CD C 43.540 0.400 1
287 27 27 ARG N N 117.435 0.400 1
288 27 27 ARG NE N 83.817 0.400 1
289 28 28 GLN H H 8.477 0.020 1
290 28 28 GLN HA H 5.765 0.020 1
291 28 28 GLN HB2 H 2.232 0.020 2
292 28 28 GLN HB3 H 2.115 0.020 2
293 28 28 GLN HG2 H 2.417 0.020 2
294 28 28 GLN HG3 H 2.347 0.020 2
295 28 28 GLN HE21 H 7.812 0.020 2
296 28 28 GLN HE22 H 6.860 0.020 2
297 28 28 GLN C C 174.836 0.400 1
298 28 28 GLN CA C 55.649 0.400 1
299 28 28 GLN CB C 33.880 0.400 1
300 28 28 GLN CG C 33.993 0.400 1
301 28 28 GLN N N 117.129 0.400 1
302 28 28 GLN NE2 N 112.681 0.400 1
303 29 29 ARG H H 8.865 0.020 1
304 29 29 ARG HA H 4.375 0.020 1
305 29 29 ARG HB2 H 1.422 0.020 2
306 29 29 ARG HB3 H 0.818 0.020 2
307 29 29 ARG HG2 H 0.628 0.020 2
308 29 29 ARG HG3 H 0.345 0.020 2
309 29 29 ARG HD2 H 2.151 0.020 2
310 29 29 ARG HD3 H 0.533 0.020 2
311 29 29 ARG HE H 5.922 0.020 1
312 29 29 ARG C C 173.077 0.400 1
313 29 29 ARG CA C 55.100 0.400 1
314 29 29 ARG CB C 32.544 0.400 1
315 29 29 ARG CG C 25.084 0.400 1
316 29 29 ARG CD C 43.230 0.400 1
317 29 29 ARG N N 120.612 0.400 1
318 29 29 ARG NE N 86.264 0.400 1
319 30 30 MET H H 8.182 0.020 1
320 30 30 MET HA H 4.685 0.020 1
321 30 30 MET HB2 H 1.919 0.020 2
322 30 30 MET HB3 H 1.772 0.020 2
323 30 30 MET HG2 H 2.438 0.020 2
324 30 30 MET HG3 H 2.385 0.020 2
325 30 30 MET HE H 2.005 0.020 1
326 30 30 MET C C 175.142 0.400 1
327 30 30 MET CA C 54.451 0.400 1
328 30 30 MET CB C 35.848 0.400 1
329 30 30 MET CG C 31.957 0.400 1
330 30 30 MET CE C 17.287 0.400 1
331 30 30 MET N N 116.472 0.400 1
332 31 31 LEU H H 8.544 0.020 1
333 31 31 LEU HA H 4.400 0.020 1
334 31 31 LEU HB2 H 1.689 0.020 2
335 31 31 LEU HB3 H 1.432 0.020 2
336 31 31 LEU HG H 1.592 0.020 1
337 31 31 LEU HD1 H 0.865 0.020 2
338 31 31 LEU HD2 H 0.865 0.020 2
339 31 31 LEU C C 177.466 0.400 1
340 31 31 LEU CA C 55.619 0.400 1
341 31 31 LEU CB C 42.940 0.400 1
342 31 31 LEU CG C 27.848 0.400 1
343 31 31 LEU CD1 C 25.551 0.400 1
344 31 31 LEU N N 123.512 0.400 1
345 32 32 LYS H H 8.838 0.020 1
346 32 32 LYS HA H 4.284 0.020 1
347 32 32 LYS HB2 H 1.785 0.020 2
348 32 32 LYS HB3 H 1.414 0.020 2
349 32 32 LYS HG2 H 1.307 0.020 2
350 32 32 LYS HG3 H 1.258 0.020 2
351 32 32 LYS HD2 H 1.497 0.020 1
352 32 32 LYS HD3 H 1.497 0.020 1
353 32 32 LYS HE2 H 2.839 0.020 1
354 32 32 LYS HE3 H 2.839 0.020 1
355 32 32 LYS C C 176.586 0.400 1
356 32 32 LYS CA C 56.501 0.400 1
357 32 32 LYS CB C 32.841 0.400 1
358 32 32 LYS CG C 24.809 0.400 1
359 32 32 LYS CD C 28.847 0.400 1
360 32 32 LYS CE C 41.802 0.400 1
361 32 32 LYS N N 124.599 0.400 1
362 33 33 SER H H 7.832 0.020 1
363 33 33 SER HA H 4.511 0.020 1
364 33 33 SER HB2 H 3.897 0.020 2
365 33 33 SER HB3 H 3.799 0.020 2
366 33 33 SER C C 173.733 0.400 1
367 33 33 SER CA C 57.482 0.400 1
368 33 33 SER CB C 64.707 0.400 1
369 33 33 SER N N 114.414 0.400 1
370 34 34 LEU H H 8.421 0.020 1
371 34 34 LEU HA H 4.282 0.020 1
372 34 34 LEU HB2 H 1.602 0.020 1
373 34 34 LEU HB3 H 1.602 0.020 1
374 34 34 LEU HG H 1.610 0.020 1
375 34 34 LEU HD1 H 0.884 0.020 2
376 34 34 LEU HD2 H 0.836 0.020 2
377 34 34 LEU C C 177.451 0.400 1
378 34 34 LEU CA C 55.749 0.400 1
379 34 34 LEU CB C 41.942 0.400 1
380 34 34 LEU CG C 27.409 0.400 1
381 34 34 LEU CD1 C 25.444 0.400 1
382 34 34 LEU CD2 C 23.782 0.400 1
383 34 34 LEU N N 123.185 0.400 1
384 35 35 ALA H H 8.136 0.020 1
385 35 35 ALA HA H 4.222 0.020 1
386 35 35 ALA HB H 1.339 0.020 1
387 35 35 ALA C C 177.904 0.400 1
388 35 35 ALA CA C 53.182 0.400 1
389 35 35 ALA CB C 20.020 0.400 1
390 35 35 ALA N N 125.264 0.400 1
391 36 36 GLU H H 8.422 0.020 1
392 36 36 GLU HA H 4.202 0.020 1
393 36 36 GLU HB2 H 2.071 0.020 2
394 36 36 GLU HB3 H 1.939 0.020 2
395 36 36 GLU HG2 H 2.227 0.020 1
396 36 36 GLU HG3 H 2.227 0.020 1
397 36 36 GLU C C 176.899 0.400 1
398 36 36 GLU CA C 56.911 0.400 1
399 36 36 GLU CB C 30.295 0.400 1
400 36 36 GLU CG C 36.712 0.400 1
401 36 36 GLU N N 119.475 0.400 1
402 37 37 LEU H H 8.135 0.020 1
403 37 37 LEU HA H 4.154 0.020 1
404 37 37 LEU HB2 H 1.654 0.020 2
405 37 37 LEU HB3 H 1.582 0.020 2
406 37 37 LEU HG H 1.604 0.020 1
407 37 37 LEU HD1 H 0.897 0.020 2
408 37 37 LEU HD2 H 0.848 0.020 2
409 37 37 LEU C C 178.165 0.400 1
410 37 37 LEU CA C 56.720 0.400 1
411 37 37 LEU CB C 42.317 0.400 1
412 37 37 LEU CG C 27.398 0.400 1
413 37 37 LEU CD1 C 25.277 0.400 1
414 37 37 LEU CD2 C 24.136 0.400 1
415 37 37 LEU N N 122.356 0.400 1
416 38 38 GLY H H 8.364 0.020 1
417 38 38 GLY HA2 H 3.976 0.020 2
418 38 38 GLY HA3 H 3.831 0.020 2
419 38 38 GLY C C 173.753 0.400 1
420 38 38 GLY CA C 45.784 0.400 1
421 38 38 GLY N N 109.433 0.400 1
422 39 39 ASP H H 8.114 0.020 1
423 39 39 ASP HA H 4.655 0.020 1
424 39 39 ASP HB2 H 2.675 0.020 1
425 39 39 ASP HB3 H 2.675 0.020 1
426 39 39 ASP C C 176.295 0.400 1
427 39 39 ASP CA C 54.657 0.400 1
428 39 39 ASP CB C 41.830 0.400 1
429 39 39 ASP N N 120.193 0.400 1
430 40 40 CYS H H 8.288 0.020 1
431 40 40 CYS HA H 4.740 0.020 1
432 40 40 CYS HB2 H 3.144 0.020 2
433 40 40 CYS HB3 H 2.924 0.020 2
434 40 40 CYS CA C 55.494 0.400 1
435 40 40 CYS CB C 40.767 0.400 1
436 40 40 CYS N N 119.024 0.400 1
437 41 41 ASN H H 8.884 0.020 1
438 41 41 ASN HA H 4.739 0.020 1
439 41 41 ASN HB2 H 2.824 0.020 2
440 41 41 ASN HB3 H 2.699 0.020 2
441 41 41 ASN HD21 H 7.582 0.020 2
442 41 41 ASN HD22 H 6.858 0.020 2
443 41 41 ASN C C 174.768 0.400 1
444 41 41 ASN CA C 53.487 0.400 1
445 41 41 ASN CB C 38.930 0.400 1
446 41 41 ASN N N 122.540 0.400 1
447 41 41 ASN ND2 N 113.285 0.400 1
448 42 42 GLU H H 7.961 0.020 1
449 42 42 GLU HA H 4.334 0.020 1
450 42 42 GLU HB2 H 1.895 0.020 2
451 42 42 GLU HB3 H 1.577 0.020 2
452 42 42 GLU HG2 H 2.201 0.020 1
453 42 42 GLU HG3 H 2.201 0.020 1
454 42 42 GLU C C 175.817 0.400 1
455 42 42 GLU CA C 56.180 0.400 1
456 42 42 GLU CB C 31.983 0.400 1
457 42 42 GLU CG C 36.414 0.400 1
458 42 42 GLU N N 120.320 0.400 1
459 43 43 ASP H H 8.888 0.020 1
460 43 43 ASP HA H 4.548 0.020 1
461 43 43 ASP HB2 H 2.939 0.020 2
462 43 43 ASP HB3 H 2.718 0.020 2
463 43 43 ASP C C 176.449 0.400 1
464 43 43 ASP CA C 55.306 0.400 1
465 43 43 ASP CB C 41.428 0.400 1
466 43 43 ASP N N 120.765 0.400 1
467 44 44 LEU H H 8.945 0.020 1
468 44 44 LEU HA H 4.119 0.020 1
469 44 44 LEU HB2 H 1.923 0.020 2
470 44 44 LEU HB3 H 1.656 0.020 2
471 44 44 LEU HG H 1.655 0.020 1
472 44 44 LEU HD1 H 0.906 0.020 2
473 44 44 LEU HD2 H 0.517 0.020 2
474 44 44 LEU C C 175.612 0.400 1
475 44 44 LEU CA C 55.336 0.400 1
476 44 44 LEU CB C 42.284 0.400 1
477 44 44 LEU CG C 27.415 0.400 1
478 44 44 LEU CD1 C 25.951 0.400 1
479 44 44 LEU CD2 C 23.776 0.400 1
480 44 44 LEU N N 121.243 0.400 1
481 45 45 GLU H H 7.719 0.020 1
482 45 45 GLU HA H 5.494 0.020 1
483 45 45 GLU HB2 H 2.089 0.020 1
484 45 45 GLU HB3 H 2.089 0.020 1
485 45 45 GLU HG2 H 2.185 0.020 2
486 45 45 GLU HG3 H 2.317 0.020 2
487 45 45 GLU C C 174.851 0.400 1
488 45 45 GLU CA C 55.433 0.400 1
489 45 45 GLU CB C 34.176 0.400 1
490 45 45 GLU CG C 37.268 0.400 1
491 45 45 GLU N N 117.992 0.400 1
492 46 46 GLN H H 8.549 0.020 1
493 46 46 GLN HA H 4.622 0.020 1
494 46 46 GLN HB2 H 1.596 0.020 2
495 46 46 GLN HB3 H 1.179 0.020 2
496 46 46 GLN HG2 H 2.216 0.020 2
497 46 46 GLN HG3 H 2.062 0.020 2
498 46 46 GLN HE21 H 7.909 0.020 2
499 46 46 GLN HE22 H 6.887 0.020 2
500 46 46 GLN C C 173.477 0.400 1
501 46 46 GLN CA C 55.058 0.400 1
502 46 46 GLN CB C 33.574 0.400 1
503 46 46 GLN CG C 34.477 0.400 1
504 46 46 GLN N N 122.839 0.400 1
505 46 46 GLN NE2 N 113.445 0.400 1
506 47 47 ALA H H 8.603 0.020 1
507 47 47 ALA HA H 5.756 0.020 1
508 47 47 ALA HB H 1.351 0.020 1
509 47 47 ALA C C 176.664 0.400 1
510 47 47 ALA CA C 50.807 0.400 1
511 47 47 ALA CB C 23.462 0.400 1
512 47 47 ALA N N 124.363 0.400 1
513 48 48 GLU H H 9.112 0.020 1
514 48 48 GLU HA H 4.638 0.020 1
515 48 48 GLU HB2 H 1.554 0.020 1
516 48 48 GLU HB3 H 1.554 0.020 1
517 48 48 GLU HG2 H 1.578 0.020 1
518 48 48 GLU HG3 H 1.578 0.020 1
519 48 48 GLU C C 174.182 0.400 1
520 48 48 GLU CA C 54.422 0.400 1
521 48 48 GLU CB C 34.030 0.400 1
522 48 48 GLU CG C 35.284 0.400 1
523 48 48 GLU N N 120.674 0.400 1
524 49 49 LYS H H 8.447 0.020 1
525 49 49 LYS HA H 4.858 0.020 1
526 49 49 LYS HB2 H 1.726 0.020 2
527 49 49 LYS HB3 H 1.669 0.020 2
528 49 49 LYS HG2 H 1.407 0.020 1
529 49 49 LYS HG3 H 1.407 0.020 1
530 49 49 LYS HE2 H 2.911 0.020 1
531 49 49 LYS HE3 H 2.911 0.020 1
532 49 49 LYS C C 176.325 0.400 1
533 49 49 LYS CA C 56.986 0.400 1
534 49 49 LYS CB C 33.456 0.400 1
535 49 49 LYS CG C 25.328 0.400 1
536 49 49 LYS CD C 29.779 0.400 1
537 49 49 LYS CE C 42.179 0.400 1
538 49 49 LYS N N 122.594 0.400 1
539 50 50 CYS H H 8.402 0.020 1
540 50 50 CYS HA H 4.649 0.020 1
541 50 50 CYS HB2 H 2.969 0.020 1
542 50 50 CYS HB3 H 2.969 0.020 1
543 50 50 CYS C C 171.999 0.400 1
544 50 50 CYS CA C 53.890 0.400 1
545 50 50 CYS CB C 46.985 0.400 1
546 50 50 CYS N N 119.714 0.400 1
547 51 51 MET H H 8.672 0.020 1
548 51 51 MET HA H 4.851 0.020 1
549 51 51 MET HB2 H 1.902 0.020 2
550 51 51 MET HB3 H 1.776 0.020 2
551 51 51 MET HG2 H 2.323 0.020 1
552 51 51 MET HG3 H 2.323 0.020 1
553 51 51 MET HE H 1.986 0.020 1
554 51 51 MET C C 173.717 0.400 1
555 51 51 MET CA C 55.142 0.400 1
556 51 51 MET CB C 34.285 0.400 1
557 51 51 MET CG C 32.285 0.400 1
558 51 51 MET CE C 17.253 0.400 1
559 51 51 MET N N 122.302 0.400 1
560 52 52 LEU H H 8.708 0.020 1
561 52 52 LEU HA H 4.691 0.020 1
562 52 52 LEU HB2 H 1.331 0.020 2
563 52 52 LEU HB3 H 1.615 0.020 2
564 52 52 LEU HG H 1.471 0.020 1
565 52 52 LEU HD1 H 0.824 0.020 2
566 52 52 LEU HD2 H 0.705 0.020 2
567 52 52 LEU CA C 52.750 0.400 1
568 52 52 LEU CB C 42.547 0.400 1
569 52 52 LEU CG C 28.776 0.400 1
570 52 52 LEU CD1 C 23.835 0.400 1
571 52 52 LEU CD2 C 25.891 0.400 1
572 52 52 LEU N N 131.098 0.400 1
573 53 53 PRO HA H 4.277 0.020 1
574 53 53 PRO HB2 H 2.314 0.020 2
575 53 53 PRO HB3 H 1.828 0.020 2
576 53 53 PRO HG2 H 2.078 0.020 1
577 53 53 PRO HG3 H 2.078 0.020 1
578 53 53 PRO HD2 H 3.605 0.020 2
579 53 53 PRO HD3 H 3.696 0.020 2
580 53 53 PRO C C 176.084 0.400 1
581 53 53 PRO CA C 63.758 0.400 1
582 53 53 PRO CB C 32.054 0.400 1
583 53 53 PRO CG C 28.344 0.400 1
584 53 53 PRO CD C 50.776 0.400 1
585 54 54 GLU H H 8.504 0.020 1
586 54 54 GLU HA H 3.928 0.020 1
587 54 54 GLU HB2 H 2.001 0.020 2
588 54 54 GLU HB3 H 1.865 0.020 2
589 54 54 GLU HG2 H 2.376 0.020 1
590 54 54 GLU HG3 H 2.376 0.020 1
591 54 54 GLU C C 176.810 0.400 1
592 54 54 GLU CA C 57.510 0.400 1
593 54 54 GLU CB C 30.316 0.400 1
594 54 54 GLU CG C 36.496 0.400 1
595 54 54 GLU N N 121.469 0.400 1
596 55 55 CYS H H 9.046 0.020 1
597 55 55 CYS HA H 4.653 0.020 1
598 55 55 CYS HB2 H 3.296 0.020 2
599 55 55 CYS HB3 H 2.677 0.020 2
600 55 55 CYS CA C 53.331 0.400 1
601 55 55 CYS CB C 40.619 0.400 1
602 55 55 CYS N N 123.643 0.400 1
603 56 56 PRO HA H 4.225 0.020 1
604 56 56 PRO HB2 H 2.190 0.020 2
605 56 56 PRO HB3 H 1.872 0.020 2
606 56 56 PRO HG2 H 1.958 0.020 1
607 56 56 PRO HG3 H 1.958 0.020 1
608 56 56 PRO HD2 H 3.776 0.020 1
609 56 56 PRO HD3 H 3.776 0.020 1
610 56 56 PRO CA C 65.076 0.400 1
611 56 56 PRO CB C 32.337 0.400 1
612 56 56 PRO CG C 27.561 0.400 1
stop_
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