data_11169
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the C2H2 type zinc finger (region 435-467) of human Zinc
finger protein 484
;
_BMRB_accession_number 11169
_BMRB_flat_file_name bmr11169.str
_Entry_type original
_Submission_date 2010-04-15
_Accession_date 2010-04-15
_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 Tochio N. . .
2 Tomizawa T. . .
3 Abe H. . .
4 Saito K. . .
5 Li H. . .
6 Sato M. . .
7 Koshiba S. . .
8 Kobayashi N. . .
9 Kigawa T. . .
10 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 211
"13C chemical shifts" 151
"15N chemical shifts" 32
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-05-05 original author .
stop_
_Original_release_date 2011-05-05
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of the C2H2 type zinc finger (region 435-467) of human Zinc
finger protein 484
;
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tochio N. . .
2 Tomizawa T. . .
3 Abe H. . .
4 Saito K. . .
5 Li H. . .
6 Sato M. . .
7 Koshiba S. . .
8 Kobayashi N. . .
9 Kigawa T. . .
10 Yokoyama S. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Zinc finger protein 484'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'zf-C2H2, UNP residues 435-467' $entity_1
'ZINC ION' $ZN
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'zf-C2H2, UNP residues 435-467'
_Molecular_mass .
_Mol_thiol_state 'all other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 46
_Mol_residue_sequence
;
GSSGSSGTGEKPYECSDCGK
SFIKKSQLHVHQRIHTGENP
SGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 THR 9 GLY 10 GLU
11 LYS 12 PRO 13 TYR 14 GLU 15 CYS
16 SER 17 ASP 18 CYS 19 GLY 20 LYS
21 SER 22 PHE 23 ILE 24 LYS 25 LYS
26 SER 27 GLN 28 LEU 29 HIS 30 VAL
31 HIS 32 GLN 33 ARG 34 ILE 35 HIS
36 THR 37 GLY 38 GLU 39 ASN 40 PRO
41 SER 42 GLY 43 PRO 44 SER 45 SER
46 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-05-12
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 2EP1 "Solution Structure Of The C2h2 Type Zinc Finger (Region 435- 467) Of Human Zinc Finger Protein 484" 100.00 46 100.00 100.00 5.02e-23
stop_
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ZN (ZINC ION)"
_BMRB_code .
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 16:52:42 2009
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN . 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
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
$entity_1 'cell free synthesis' . Escherichia coli . P070115-40
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
about 1.0mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 0.05mM {ZnCl2;}
1mM {IDA;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.0 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
ZnCl2 0.05 mM 'natural abundance'
IDA 1 mM 'natural abundance'
d-DTT 1 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 20030801
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRVIEW
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_Kujira
_Saveframe_category software
_Name Kujira
_Version 0.9820
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 296 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
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_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$XWINNMR
$NMRPipe
$NMRVIEW
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 13C-separated NOESY'
'3D 15N-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'zf-C2H2, UNP residues 435-467'
_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 8 8 THR HA H 4.370 0.030 1
2 8 8 THR HB H 4.313 0.030 1
3 8 8 THR HG2 H 1.191 0.030 1
4 8 8 THR C C 175.277 0.300 1
5 8 8 THR CA C 61.843 0.300 1
6 8 8 THR CB C 69.745 0.300 1
7 8 8 THR CG2 C 21.549 0.300 1
8 9 9 GLY H H 8.448 0.030 1
9 9 9 GLY HA2 H 4.034 0.030 2
10 9 9 GLY HA3 H 3.930 0.030 2
11 9 9 GLY C C 173.960 0.300 1
12 9 9 GLY CA C 45.387 0.300 1
13 9 9 GLY N N 111.127 0.300 1
14 10 10 GLU H H 8.211 0.030 1
15 10 10 GLU HA H 4.216 0.030 1
16 10 10 GLU HB2 H 1.998 0.030 2
17 10 10 GLU HB3 H 1.882 0.030 2
18 10 10 GLU HG2 H 2.244 0.030 2
19 10 10 GLU HG3 H 2.199 0.030 2
20 10 10 GLU C C 176.125 0.300 1
21 10 10 GLU CA C 56.619 0.300 1
22 10 10 GLU CB C 30.519 0.300 1
23 10 10 GLU CG C 36.262 0.300 1
24 10 10 GLU N N 120.581 0.300 1
25 11 11 LYS H H 8.239 0.030 1
26 11 11 LYS HA H 4.528 0.030 1
27 11 11 LYS HB2 H 1.588 0.030 1
28 11 11 LYS HB3 H 1.588 0.030 1
29 11 11 LYS HD2 H 1.544 0.030 1
30 11 11 LYS HD3 H 1.544 0.030 1
31 11 11 LYS HE2 H 2.918 0.030 1
32 11 11 LYS HE3 H 2.918 0.030 1
33 11 11 LYS HG2 H 1.359 0.030 2
34 11 11 LYS HG3 H 1.286 0.030 2
35 11 11 LYS C C 174.254 0.300 1
36 11 11 LYS CA C 53.813 0.300 1
37 11 11 LYS CB C 32.576 0.300 1
38 11 11 LYS CD C 29.269 0.300 1
39 11 11 LYS CE C 42.047 0.300 1
40 11 11 LYS CG C 24.632 0.300 1
41 11 11 LYS N N 122.718 0.300 1
42 12 12 PRO HA H 4.313 0.030 1
43 12 12 PRO HB2 H 1.435 0.030 2
44 12 12 PRO HB3 H 2.008 0.030 2
45 12 12 PRO HD2 H 3.588 0.030 2
46 12 12 PRO HD3 H 3.700 0.030 2
47 12 12 PRO HG2 H 1.823 0.030 2
48 12 12 PRO HG3 H 1.749 0.030 2
49 12 12 PRO C C 175.980 0.300 1
50 12 12 PRO CA C 63.165 0.300 1
51 12 12 PRO CB C 32.373 0.300 1
52 12 12 PRO CD C 50.380 0.300 1
53 12 12 PRO CG C 26.986 0.300 1
54 13 13 TYR H H 8.270 0.030 1
55 13 13 TYR HA H 4.533 0.030 1
56 13 13 TYR HB2 H 2.990 0.030 2
57 13 13 TYR HB3 H 2.815 0.030 2
58 13 13 TYR HD1 H 7.052 0.030 1
59 13 13 TYR HD2 H 7.052 0.030 1
60 13 13 TYR HE1 H 6.909 0.030 1
61 13 13 TYR HE2 H 6.909 0.030 1
62 13 13 TYR C C 174.715 0.300 1
63 13 13 TYR CA C 57.828 0.300 1
64 13 13 TYR CB C 38.873 0.300 1
65 13 13 TYR CD1 C 133.400 0.300 1
66 13 13 TYR CD2 C 133.400 0.300 1
67 13 13 TYR CE1 C 118.447 0.300 1
68 13 13 TYR CE2 C 118.447 0.300 1
69 13 13 TYR N N 119.151 0.300 1
70 14 14 GLU H H 8.609 0.030 1
71 14 14 GLU HA H 4.819 0.030 1
72 14 14 GLU HB2 H 1.820 0.030 1
73 14 14 GLU HB3 H 1.820 0.030 1
74 14 14 GLU HG2 H 1.990 0.030 2
75 14 14 GLU HG3 H 1.920 0.030 2
76 14 14 GLU C C 175.372 0.300 1
77 14 14 GLU CA C 54.971 0.300 1
78 14 14 GLU CB C 32.843 0.300 1
79 14 14 GLU CG C 36.493 0.300 1
80 14 14 GLU N N 124.143 0.300 1
81 15 15 CYS H H 9.222 0.030 1
82 15 15 CYS HA H 4.598 0.030 1
83 15 15 CYS HB2 H 2.874 0.030 2
84 15 15 CYS HB3 H 3.418 0.030 2
85 15 15 CYS C C 177.434 0.300 1
86 15 15 CYS CA C 59.468 0.300 1
87 15 15 CYS CB C 29.681 0.300 1
88 15 15 CYS N N 126.850 0.300 1
89 16 16 SER H H 9.362 0.030 1
90 16 16 SER HA H 4.298 0.030 1
91 16 16 SER HB2 H 4.022 0.030 2
92 16 16 SER HB3 H 3.974 0.030 2
93 16 16 SER C C 174.487 0.300 1
94 16 16 SER CA C 61.048 0.300 1
95 16 16 SER CB C 63.109 0.300 1
96 16 16 SER N N 128.285 0.300 1
97 17 17 ASP H H 8.609 0.030 1
98 17 17 ASP HA H 4.548 0.030 1
99 17 17 ASP HB2 H 1.807 0.030 2
100 17 17 ASP HB3 H 1.696 0.030 2
101 17 17 ASP C C 176.857 0.300 1
102 17 17 ASP CA C 56.920 0.300 1
103 17 17 ASP CB C 41.260 0.300 1
104 17 17 ASP N N 122.622 0.300 1
105 18 18 CYS H H 7.847 0.030 1
106 18 18 CYS HA H 5.146 0.030 1
107 18 18 CYS HB2 H 3.412 0.030 2
108 18 18 CYS HB3 H 2.881 0.030 2
109 18 18 CYS C C 176.128 0.300 1
110 18 18 CYS CA C 58.767 0.300 1
111 18 18 CYS CB C 32.365 0.300 1
112 18 18 CYS N N 114.691 0.300 1
113 19 19 GLY H H 8.294 0.030 1
114 19 19 GLY HA2 H 3.888 0.030 2
115 19 19 GLY HA3 H 4.232 0.030 2
116 19 19 GLY C C 173.941 0.300 1
117 19 19 GLY CA C 46.165 0.300 1
118 19 19 GLY N N 113.209 0.300 1
119 20 20 LYS H H 7.988 0.030 1
120 20 20 LYS HA H 4.039 0.030 1
121 20 20 LYS HB2 H 1.392 0.030 2
122 20 20 LYS HB3 H 1.254 0.030 2
123 20 20 LYS HD2 H 1.532 0.030 2
124 20 20 LYS HD3 H 1.484 0.030 2
125 20 20 LYS HE2 H 3.009 0.030 2
126 20 20 LYS HE3 H 2.943 0.030 2
127 20 20 LYS HG2 H 1.482 0.030 2
128 20 20 LYS HG3 H 1.171 0.030 2
129 20 20 LYS C C 174.288 0.300 1
130 20 20 LYS CA C 57.965 0.300 1
131 20 20 LYS CB C 33.676 0.300 1
132 20 20 LYS CD C 29.213 0.300 1
133 20 20 LYS CE C 42.248 0.300 1
134 20 20 LYS CG C 26.358 0.300 1
135 20 20 LYS N N 122.903 0.300 1
136 21 21 SER H H 7.797 0.030 1
137 21 21 SER HA H 5.294 0.030 1
138 21 21 SER HB2 H 3.553 0.030 1
139 21 21 SER HB3 H 3.553 0.030 1
140 21 21 SER C C 173.161 0.300 1
141 21 21 SER CA C 56.684 0.300 1
142 21 21 SER CB C 66.031 0.300 1
143 21 21 SER N N 115.115 0.300 1
144 22 22 PHE H H 8.668 0.030 1
145 22 22 PHE HA H 4.745 0.030 1
146 22 22 PHE HB2 H 2.577 0.030 2
147 22 22 PHE HB3 H 3.489 0.030 2
148 22 22 PHE HD1 H 7.171 0.030 1
149 22 22 PHE HD2 H 7.171 0.030 1
150 22 22 PHE HE1 H 6.835 0.030 1
151 22 22 PHE HE2 H 6.835 0.030 1
152 22 22 PHE HZ H 6.227 0.030 1
153 22 22 PHE C C 175.156 0.300 1
154 22 22 PHE CA C 57.336 0.300 1
155 22 22 PHE CB C 43.747 0.300 1
156 22 22 PHE CD1 C 132.434 0.300 1
157 22 22 PHE CD2 C 132.434 0.300 1
158 22 22 PHE CE1 C 130.601 0.300 1
159 22 22 PHE CE2 C 130.601 0.300 1
160 22 22 PHE CZ C 128.788 0.300 1
161 22 22 PHE N N 118.526 0.300 1
162 23 23 ILE H H 8.709 0.030 1
163 23 23 ILE HA H 4.228 0.030 1
164 23 23 ILE HB H 2.045 0.030 1
165 23 23 ILE HD1 H 0.932 0.030 1
166 23 23 ILE HG12 H 1.405 0.030 2
167 23 23 ILE HG13 H 1.643 0.030 2
168 23 23 ILE HG2 H 1.046 0.030 1
169 23 23 ILE C C 176.208 0.300 1
170 23 23 ILE CA C 63.185 0.300 1
171 23 23 ILE CB C 38.637 0.300 1
172 23 23 ILE CD1 C 13.027 0.300 1
173 23 23 ILE CG1 C 28.396 0.300 1
174 23 23 ILE CG2 C 17.937 0.300 1
175 23 23 ILE N N 119.926 0.300 1
176 24 24 LYS H H 7.696 0.030 1
177 24 24 LYS HA H 4.822 0.030 1
178 24 24 LYS HB2 H 1.559 0.030 2
179 24 24 LYS HB3 H 1.975 0.030 2
180 24 24 LYS HD2 H 1.735 0.030 2
181 24 24 LYS HD3 H 1.661 0.030 2
182 24 24 LYS HE2 H 2.997 0.030 1
183 24 24 LYS HE3 H 2.997 0.030 1
184 24 24 LYS HG2 H 1.473 0.030 1
185 24 24 LYS HG3 H 1.473 0.030 1
186 24 24 LYS C C 176.724 0.300 1
187 24 24 LYS CA C 54.149 0.300 1
188 24 24 LYS CB C 35.357 0.300 1
189 24 24 LYS CD C 29.330 0.300 1
190 24 24 LYS CE C 42.140 0.300 1
191 24 24 LYS CG C 25.169 0.300 1
192 24 24 LYS N N 116.057 0.300 1
193 25 25 LYS H H 8.523 0.030 1
194 25 25 LYS HA H 2.877 0.030 1
195 25 25 LYS HB2 H 1.310 0.030 2
196 25 25 LYS HB3 H 0.937 0.030 2
197 25 25 LYS HD2 H 1.515 0.030 1
198 25 25 LYS HD3 H 1.515 0.030 1
199 25 25 LYS HE2 H 2.893 0.030 1
200 25 25 LYS HE3 H 2.893 0.030 1
201 25 25 LYS HG2 H 0.841 0.030 2
202 25 25 LYS HG3 H 0.738 0.030 2
203 25 25 LYS C C 177.932 0.300 1
204 25 25 LYS CA C 59.660 0.300 1
205 25 25 LYS CB C 31.616 0.300 1
206 25 25 LYS CD C 29.269 0.300 1
207 25 25 LYS CE C 41.916 0.300 1
208 25 25 LYS CG C 24.859 0.300 1
209 25 25 LYS N N 127.505 0.300 1
210 26 26 SER HA H 3.973 0.030 1
211 26 26 SER HB2 H 3.855 0.030 1
212 26 26 SER HB3 H 3.855 0.030 1
213 26 26 SER C C 177.004 0.300 1
214 26 26 SER CA C 60.709 0.300 1
215 26 26 SER CB C 61.404 0.300 1
216 27 27 GLN H H 6.717 0.030 1
217 27 27 GLN HA H 3.959 0.030 1
218 27 27 GLN HB2 H 2.040 0.030 2
219 27 27 GLN HB3 H 2.506 0.030 2
220 27 27 GLN HE21 H 6.979 0.030 2
221 27 27 GLN HE22 H 7.619 0.030 2
222 27 27 GLN HG2 H 2.511 0.030 2
223 27 27 GLN HG3 H 2.357 0.030 2
224 27 27 GLN C C 178.845 0.300 1
225 27 27 GLN CA C 57.629 0.300 1
226 27 27 GLN CB C 28.364 0.300 1
227 27 27 GLN CG C 34.226 0.300 1
228 27 27 GLN N N 119.936 0.300 1
229 27 27 GLN NE2 N 111.312 0.300 1
230 28 28 LEU H H 6.926 0.030 1
231 28 28 LEU HA H 3.212 0.030 1
232 28 28 LEU HB2 H 1.967 0.030 2
233 28 28 LEU HB3 H 1.194 0.030 2
234 28 28 LEU HD1 H 1.031 0.030 1
235 28 28 LEU HD2 H 0.961 0.030 1
236 28 28 LEU HG H 1.476 0.030 1
237 28 28 LEU C C 177.565 0.300 1
238 28 28 LEU CA C 57.804 0.300 1
239 28 28 LEU CB C 40.035 0.300 1
240 28 28 LEU CD1 C 22.847 0.300 2
241 28 28 LEU CD2 C 26.419 0.300 2
242 28 28 LEU CG C 27.481 0.300 1
243 28 28 LEU N N 121.935 0.300 1
244 29 29 HIS H H 7.977 0.030 1
245 29 29 HIS HA H 4.460 0.030 1
246 29 29 HIS HB2 H 3.087 0.030 1
247 29 29 HIS HB3 H 3.087 0.030 1
248 29 29 HIS HD2 H 6.830 0.030 1
249 29 29 HIS HE1 H 7.706 0.030 1
250 29 29 HIS C C 178.396 0.300 1
251 29 29 HIS CA C 58.673 0.300 1
252 29 29 HIS CB C 29.983 0.300 1
253 29 29 HIS CD2 C 119.864 0.300 1
254 29 29 HIS CE1 C 138.245 0.300 1
255 29 29 HIS N N 117.786 0.300 1
256 30 30 VAL H H 7.460 0.030 1
257 30 30 VAL HA H 3.558 0.030 1
258 30 30 VAL HB H 1.944 0.030 1
259 30 30 VAL HG1 H 1.067 0.030 1
260 30 30 VAL HG2 H 0.926 0.030 1
261 30 30 VAL C C 178.634 0.300 1
262 30 30 VAL CA C 66.466 0.300 1
263 30 30 VAL CB C 32.155 0.300 1
264 30 30 VAL CG1 C 22.648 0.300 2
265 30 30 VAL CG2 C 21.206 0.300 2
266 30 30 VAL N N 118.159 0.300 1
267 31 31 HIS H H 7.564 0.030 1
268 31 31 HIS HA H 4.160 0.030 1
269 31 31 HIS HB2 H 2.859 0.030 2
270 31 31 HIS HB3 H 3.105 0.030 2
271 31 31 HIS HD2 H 6.978 0.030 1
272 31 31 HIS HE1 H 8.052 0.030 1
273 31 31 HIS C C 176.274 0.300 1
274 31 31 HIS CA C 59.392 0.300 1
275 31 31 HIS CB C 28.539 0.300 1
276 31 31 HIS CD2 C 127.295 0.300 1
277 31 31 HIS CE1 C 139.583 0.300 1
278 31 31 HIS N N 120.171 0.300 1
279 32 32 GLN H H 8.479 0.030 1
280 32 32 GLN HA H 3.705 0.030 1
281 32 32 GLN HB2 H 2.330 0.030 2
282 32 32 GLN HB3 H 2.212 0.030 2
283 32 32 GLN HE21 H 7.701 0.030 2
284 32 32 GLN HE22 H 6.996 0.030 2
285 32 32 GLN HG2 H 2.857 0.030 1
286 32 32 GLN HG3 H 2.857 0.030 1
287 32 32 GLN C C 177.314 0.300 1
288 32 32 GLN CA C 59.385 0.300 1
289 32 32 GLN CB C 28.449 0.300 1
290 32 32 GLN CG C 35.604 0.300 1
291 32 32 GLN N N 114.753 0.300 1
292 32 32 GLN NE2 N 112.577 0.300 1
293 33 33 ARG H H 7.153 0.030 1
294 33 33 ARG HA H 4.127 0.030 1
295 33 33 ARG HB2 H 1.881 0.030 2
296 33 33 ARG HB3 H 1.765 0.030 2
297 33 33 ARG HD2 H 3.178 0.030 1
298 33 33 ARG HD3 H 3.178 0.030 1
299 33 33 ARG HG2 H 1.846 0.030 2
300 33 33 ARG HG3 H 1.653 0.030 2
301 33 33 ARG C C 178.689 0.300 1
302 33 33 ARG CA C 58.429 0.300 1
303 33 33 ARG CB C 30.078 0.300 1
304 33 33 ARG CD C 43.668 0.300 1
305 33 33 ARG CG C 27.481 0.300 1
306 33 33 ARG N N 117.851 0.300 1
307 34 34 ILE H H 7.835 0.030 1
308 34 34 ILE HA H 3.964 0.030 1
309 34 34 ILE HB H 1.647 0.030 1
310 34 34 ILE HD1 H 0.694 0.030 1
311 34 34 ILE HG12 H 0.696 0.030 2
312 34 34 ILE HG13 H 0.896 0.030 2
313 34 34 ILE HG2 H 0.573 0.030 1
314 34 34 ILE C C 177.341 0.300 1
315 34 34 ILE CA C 63.208 0.300 1
316 34 34 ILE CB C 37.738 0.300 1
317 34 34 ILE CD1 C 14.469 0.300 1
318 34 34 ILE CG1 C 26.515 0.300 1
319 34 34 ILE CG2 C 16.349 0.300 1
320 34 34 ILE N N 116.018 0.300 1
321 35 35 HIS H H 7.236 0.030 1
322 35 35 HIS HA H 4.816 0.030 1
323 35 35 HIS HB2 H 3.279 0.030 2
324 35 35 HIS HB3 H 3.227 0.030 2
325 35 35 HIS HD2 H 6.857 0.030 1
326 35 35 HIS HE1 H 8.023 0.030 1
327 35 35 HIS C C 175.865 0.300 1
328 35 35 HIS CA C 55.182 0.300 1
329 35 35 HIS CB C 28.670 0.300 1
330 35 35 HIS CD2 C 128.260 0.300 1
331 35 35 HIS CE1 C 140.010 0.300 1
332 35 35 HIS N N 117.679 0.300 1
333 36 36 THR H H 7.732 0.030 1
334 36 36 THR HA H 4.353 0.030 1
335 36 36 THR HB H 4.313 0.030 1
336 36 36 THR HG2 H 1.231 0.030 1
337 36 36 THR C C 175.479 0.300 1
338 36 36 THR CA C 62.449 0.300 1
339 36 36 THR CB C 69.927 0.300 1
340 36 36 THR CG2 C 21.568 0.300 1
341 36 36 THR N N 111.257 0.300 1
342 37 37 GLY H H 8.191 0.030 1
343 37 37 GLY HA2 H 4.031 0.030 2
344 37 37 GLY HA3 H 3.938 0.030 2
345 37 37 GLY C C 174.034 0.300 1
346 37 37 GLY CA C 45.360 0.300 1
347 37 37 GLY N N 110.564 0.300 1
348 38 38 GLU H H 8.083 0.030 1
349 38 38 GLU HA H 4.223 0.030 1
350 38 38 GLU HB2 H 1.990 0.030 2
351 38 38 GLU HB3 H 1.880 0.030 2
352 38 38 GLU HG2 H 2.242 0.030 2
353 38 38 GLU HG3 H 2.202 0.030 2
354 38 38 GLU C C 175.926 0.300 1
355 38 38 GLU CA C 56.553 0.300 1
356 38 38 GLU CB C 30.563 0.300 1
357 38 38 GLU CG C 36.283 0.300 1
358 38 38 GLU N N 120.139 0.300 1
359 39 39 ASN H H 8.519 0.030 1
360 39 39 ASN HA H 4.957 0.030 1
361 39 39 ASN HB2 H 2.815 0.030 2
362 39 39 ASN HB3 H 2.662 0.030 2
363 39 39 ASN HD21 H 7.602 0.030 2
364 39 39 ASN HD22 H 6.924 0.030 2
365 39 39 ASN C C 173.375 0.300 1
366 39 39 ASN CA C 51.371 0.300 1
367 39 39 ASN CB C 38.960 0.300 1
368 39 39 ASN N N 120.472 0.300 1
369 39 39 ASN ND2 N 113.272 0.300 1
370 40 40 PRO HA H 4.438 0.030 1
371 40 40 PRO HB2 H 2.272 0.030 1
372 40 40 PRO HB3 H 2.272 0.030 1
373 40 40 PRO HD2 H 3.756 0.030 2
374 40 40 PRO HD3 H 3.734 0.030 2
375 40 40 PRO HG2 H 2.000 0.030 1
376 40 40 PRO HG3 H 2.000 0.030 1
377 40 40 PRO CA C 63.595 0.300 1
378 40 40 PRO CB C 32.147 0.300 1
379 40 40 PRO CD C 50.738 0.300 1
380 40 40 PRO CG C 27.181 0.300 1
381 42 42 GLY HA2 H 4.141 0.030 2
382 42 42 GLY HA3 H 4.092 0.030 2
383 42 42 GLY CA C 44.637 0.300 1
384 43 43 PRO HA H 4.437 0.030 1
385 43 43 PRO HB2 H 2.276 0.030 1
386 43 43 PRO HB3 H 2.276 0.030 1
387 43 43 PRO HD2 H 3.622 0.030 1
388 43 43 PRO HD3 H 3.622 0.030 1
389 43 43 PRO HG2 H 2.005 0.030 1
390 43 43 PRO HG3 H 2.005 0.030 1
391 43 43 PRO CA C 63.577 0.300 1
392 43 43 PRO CB C 32.275 0.300 1
393 43 43 PRO CD C 49.792 0.300 1
394 43 43 PRO CG C 27.097 0.300 1
stop_
save_