data_10185
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the C2H2 type zinc finger (region 607-639) of human Zinc
finger protein 268
;
_BMRB_accession_number 10185
_BMRB_flat_file_name bmr10185.str
_Entry_type original
_Submission_date 2008-02-06
_Accession_date 2008-02-07
_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 Tomizawa T. . .
2 Tochio N. . .
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" 224
"13C chemical shifts" 161
"15N chemical shifts" 36
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-02-26 original author .
stop_
_Original_release_date 2009-02-26
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 607-639) of human Zinc
finger protein 268
;
_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 268'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'zf-C2H2, UNP residues 607-639' $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 607-639'
_Molecular_mass .
_Mol_thiol_state 'all other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 46
_Mol_residue_sequence
;
GSSGSSGTGEKPFECSECQK
AFNTKSNLIVHQRTHTGEKP
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 PHE 14 GLU 15 CYS
16 SER 17 GLU 18 CYS 19 GLN 20 LYS
21 ALA 22 PHE 23 ASN 24 THR 25 LYS
26 SER 27 ASN 28 LEU 29 ILE 30 VAL
31 HIS 32 GLN 33 ARG 34 THR 35 HIS
36 THR 37 GLY 38 GLU 39 LYS 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 2YTF "Solution Structure Of The C2h2 Type Zinc Finger (Region 607- 639) Of Human Zinc Finger Protein 268" 100.00 46 100.00 100.00 5.30e-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 .
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Wed Dec 20 05:48:03 2006
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN N 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_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P061218-13
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
$entity_1 1.0 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM .
NaCl 100 mM .
ZnCl2 0.050 mM .
IDA 1 mM .
d-DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20030801
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_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_software_4
_Saveframe_category software
_Name Kujira
_Version 0.9820
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guentert, P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 700
_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 298 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_
_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 607-639'
_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 7 7 GLY CA C 45.428 0.300 1
2 7 7 GLY HA2 H 4.049 0.030 1
3 7 7 GLY HA3 H 4.049 0.030 1
4 7 7 GLY C C 174.518 0.300 1
5 8 8 THR N N 112.808 0.300 1
6 8 8 THR H H 8.145 0.030 1
7 8 8 THR CA C 61.842 0.300 1
8 8 8 THR HA H 4.361 0.030 1
9 8 8 THR CB C 69.802 0.300 1
10 8 8 THR HB H 4.292 0.030 1
11 8 8 THR CG2 C 21.515 0.300 1
12 8 8 THR HG2 H 1.177 0.030 1
13 8 8 THR C C 175.285 0.300 1
14 9 9 GLY N N 110.918 0.300 1
15 9 9 GLY H H 8.318 0.030 1
16 9 9 GLY CA C 45.316 0.300 1
17 9 9 GLY HA2 H 3.961 0.030 1
18 9 9 GLY HA3 H 3.961 0.030 1
19 10 10 GLU N N 120.269 0.300 1
20 10 10 GLU H H 8.223 0.030 1
21 10 10 GLU CA C 56.774 0.300 1
22 10 10 GLU HA H 4.196 0.030 1
23 10 10 GLU CB C 30.450 0.300 1
24 10 10 GLU HB2 H 1.986 0.030 2
25 10 10 GLU HB3 H 1.881 0.030 2
26 10 10 GLU CG C 36.265 0.300 1
27 10 10 GLU HG2 H 2.206 0.030 2
28 10 10 GLU HG3 H 2.247 0.030 2
29 10 10 GLU C C 176.312 0.300 1
30 11 11 LYS N N 121.676 0.300 1
31 11 11 LYS H H 8.287 0.030 1
32 11 11 LYS CA C 53.916 0.300 1
33 11 11 LYS HA H 4.497 0.030 1
34 11 11 LYS CB C 32.952 0.300 1
35 11 11 LYS HB2 H 1.559 0.030 2
36 11 11 LYS HB3 H 1.490 0.030 2
37 11 11 LYS CG C 24.768 0.300 1
38 11 11 LYS HG2 H 1.206 0.030 2
39 11 11 LYS HG3 H 1.329 0.030 2
40 11 11 LYS CD C 29.338 0.300 1
41 11 11 LYS HD2 H 1.510 0.030 1
42 11 11 LYS HD3 H 1.510 0.030 1
43 11 11 LYS CE C 42.222 0.300 1
44 11 11 LYS HE2 H 2.921 0.030 1
45 11 11 LYS HE3 H 2.921 0.030 1
46 11 11 LYS C C 174.005 0.300 1
47 12 12 PRO CA C 63.420 0.300 1
48 12 12 PRO HA H 4.272 0.030 1
49 12 12 PRO CB C 32.270 0.300 1
50 12 12 PRO HB2 H 2.003 0.030 2
51 12 12 PRO HB3 H 1.330 0.030 2
52 12 12 PRO CG C 26.867 0.300 1
53 12 12 PRO HG2 H 1.695 0.030 2
54 12 12 PRO HG3 H 1.811 0.030 2
55 12 12 PRO CD C 50.281 0.300 1
56 12 12 PRO HD2 H 3.636 0.030 1
57 12 12 PRO HD3 H 3.636 0.030 1
58 12 12 PRO C C 176.312 0.300 1
59 13 13 PHE N N 118.211 0.300 1
60 13 13 PHE H H 8.097 0.030 1
61 13 13 PHE CA C 57.267 0.300 1
62 13 13 PHE HA H 4.640 0.030 1
63 13 13 PHE CB C 39.302 0.300 1
64 13 13 PHE HB2 H 2.908 0.030 2
65 13 13 PHE HB3 H 3.008 0.030 2
66 13 13 PHE CD1 C 131.785 0.300 1
67 13 13 PHE HD1 H 7.127 0.030 1
68 13 13 PHE CD2 C 131.785 0.300 1
69 13 13 PHE HD2 H 7.127 0.030 1
70 13 13 PHE CE1 C 131.582 0.300 1
71 13 13 PHE HE1 H 7.398 0.030 1
72 13 13 PHE CE2 C 131.582 0.300 1
73 13 13 PHE HE2 H 7.398 0.030 1
74 13 13 PHE CZ C 130.155 0.300 1
75 13 13 PHE HZ H 7.376 0.030 1
76 13 13 PHE C C 174.594 0.300 1
77 14 14 GLU N N 124.060 0.300 1
78 14 14 GLU H H 8.568 0.030 1
79 14 14 GLU CA C 55.291 0.300 1
80 14 14 GLU HA H 4.849 0.030 1
81 14 14 GLU CB C 32.713 0.300 1
82 14 14 GLU HB2 H 1.862 0.030 1
83 14 14 GLU HB3 H 1.862 0.030 1
84 14 14 GLU CG C 36.785 0.300 1
85 14 14 GLU HG2 H 1.983 0.030 1
86 14 14 GLU HG3 H 1.983 0.030 1
87 14 14 GLU C C 175.419 0.300 1
88 15 15 CYS N N 126.818 0.300 1
89 15 15 CYS H H 9.101 0.030 1
90 15 15 CYS CA C 59.631 0.300 1
91 15 15 CYS HA H 4.558 0.030 1
92 15 15 CYS CB C 29.865 0.300 1
93 15 15 CYS HB2 H 3.420 0.030 2
94 15 15 CYS HB3 H 2.878 0.030 2
95 15 15 CYS C C 176.885 0.300 1
96 16 16 SER N N 112.930 0.300 1
97 16 16 SER H H 9.124 0.030 1
98 16 16 SER CA C 60.826 0.300 1
99 16 16 SER HA H 4.356 0.030 1
100 16 16 SER CB C 63.144 0.300 1
101 16 16 SER HB2 H 4.053 0.030 2
102 16 16 SER HB3 H 3.996 0.030 2
103 16 16 SER C C 174.769 0.300 1
104 17 17 GLU N N 123.223 0.300 1
105 17 17 GLU H H 8.865 0.030 1
106 17 17 GLU CA C 57.918 0.300 1
107 17 17 GLU HA H 4.287 0.030 1
108 17 17 GLU CB C 29.917 0.300 1
109 17 17 GLU HB2 H 1.335 0.030 2
110 17 17 GLU HB3 H 1.455 0.030 2
111 17 17 GLU CG C 35.884 0.300 1
112 17 17 GLU HG2 H 1.805 0.030 2
113 17 17 GLU HG3 H 1.904 0.030 2
114 17 17 GLU C C 176.999 0.300 1
115 18 18 CYS N N 116.163 0.300 1
116 18 18 CYS H H 7.875 0.030 1
117 18 18 CYS CA C 58.661 0.300 1
118 18 18 CYS HA H 5.031 0.030 1
119 18 18 CYS CB C 31.745 0.300 1
120 18 18 CYS HB2 H 3.372 0.030 2
121 18 18 CYS HB3 H 2.878 0.030 2
122 18 18 CYS C C 174.845 0.300 1
123 19 19 GLN N N 116.345 0.300 1
124 19 19 GLN H H 8.133 0.030 1
125 19 19 GLN CA C 58.722 0.300 1
126 19 19 GLN HA H 4.117 0.030 1
127 19 19 GLN CB C 26.290 0.300 1
128 19 19 GLN HB2 H 2.271 0.030 2
129 19 19 GLN HB3 H 2.387 0.030 2
130 19 19 GLN CG C 35.339 0.300 1
131 19 19 GLN HG2 H 2.249 0.030 2
132 19 19 GLN HG3 H 2.327 0.030 2
133 19 19 GLN NE2 N 112.603 0.300 1
134 19 19 GLN HE21 H 6.486 0.030 2
135 19 19 GLN HE22 H 7.425 0.030 2
136 19 19 GLN C C 174.950 0.300 1
137 20 20 LYS N N 121.633 0.300 1
138 20 20 LYS H H 7.934 0.030 1
139 20 20 LYS CA C 57.862 0.300 1
140 20 20 LYS HA H 4.083 0.030 1
141 20 20 LYS CB C 34.143 0.300 1
142 20 20 LYS HB2 H 1.424 0.030 2
143 20 20 LYS HB3 H 1.269 0.030 2
144 20 20 LYS CG C 26.340 0.300 1
145 20 20 LYS HG2 H 1.175 0.030 2
146 20 20 LYS HG3 H 1.492 0.030 2
147 20 20 LYS CD C 29.295 0.300 1
148 20 20 LYS HD2 H 1.509 0.030 1
149 20 20 LYS HD3 H 1.509 0.030 1
150 20 20 LYS CE C 42.229 0.300 1
151 20 20 LYS HE2 H 2.992 0.030 1
152 20 20 LYS HE3 H 2.992 0.030 1
153 20 20 LYS C C 173.968 0.300 1
154 21 21 ALA N N 123.578 0.300 1
155 21 21 ALA H H 7.807 0.030 1
156 21 21 ALA CA C 50.538 0.300 1
157 21 21 ALA HA H 5.067 0.030 1
158 21 21 ALA CB C 22.260 0.300 1
159 21 21 ALA HB H 1.217 0.030 1
160 21 21 ALA C C 176.143 0.300 1
161 22 22 PHE N N 116.532 0.300 1
162 22 22 PHE H H 8.637 0.030 1
163 22 22 PHE CA C 57.465 0.300 1
164 22 22 PHE HA H 4.665 0.030 1
165 22 22 PHE CB C 43.945 0.300 1
166 22 22 PHE HB2 H 2.741 0.030 2
167 22 22 PHE HB3 H 3.313 0.030 2
168 22 22 PHE CD1 C 132.041 0.300 1
169 22 22 PHE HD1 H 7.227 0.030 1
170 22 22 PHE CD2 C 132.041 0.300 1
171 22 22 PHE HD2 H 7.227 0.030 1
172 22 22 PHE CE1 C 130.843 0.300 1
173 22 22 PHE HE1 H 6.804 0.030 1
174 22 22 PHE CE2 C 130.843 0.300 1
175 22 22 PHE HE2 H 6.804 0.030 1
176 22 22 PHE CZ C 128.923 0.300 1
177 22 22 PHE HZ H 6.160 0.030 1
178 22 22 PHE C C 175.082 0.300 1
179 23 23 ASN CA C 55.192 0.300 1
180 23 23 ASN HA H 4.880 0.030 1
181 23 23 ASN CB C 39.136 0.300 1
182 23 23 ASN HB2 H 3.090 0.030 2
183 23 23 ASN HB3 H 2.997 0.030 2
184 23 23 ASN ND2 N 119.439 0.300 1
185 23 23 ASN HD21 H 7.734 0.030 2
186 23 23 ASN HD22 H 7.004 0.030 2
187 23 23 ASN C C 175.375 0.300 1
188 24 24 THR N N 120.293 0.300 1
189 24 24 THR H H 7.421 0.030 1
190 24 24 THR CA C 58.831 0.300 1
191 24 24 THR HA H 4.637 0.030 1
192 24 24 THR CB C 72.609 0.300 1
193 24 24 THR HB H 4.385 0.030 1
194 24 24 THR CG2 C 21.898 0.300 1
195 24 24 THR HG2 H 1.205 0.030 1
196 24 24 THR C C 173.507 0.300 1
197 25 25 LYS N N 124.488 0.300 1
198 25 25 LYS H H 8.175 0.030 1
199 25 25 LYS CA C 58.622 0.300 1
200 25 25 LYS HA H 3.105 0.030 1
201 25 25 LYS CB C 31.613 0.300 1
202 25 25 LYS HB2 H 1.494 0.030 2
203 25 25 LYS HB3 H 1.168 0.030 2
204 25 25 LYS CG C 24.733 0.300 1
205 25 25 LYS HG2 H 1.102 0.030 2
206 25 25 LYS HG3 H 1.249 0.030 2
207 25 25 LYS CD C 29.100 0.300 1
208 25 25 LYS HD2 H 1.576 0.030 2
209 25 25 LYS HD3 H 1.636 0.030 2
210 25 25 LYS CE C 42.258 0.300 1
211 25 25 LYS HE2 H 2.934 0.030 1
212 25 25 LYS HE3 H 2.934 0.030 1
213 25 25 LYS C C 178.363 0.300 1
214 26 26 SER N N 112.511 0.300 1
215 26 26 SER H H 8.248 0.030 1
216 26 26 SER CA C 61.540 0.300 1
217 26 26 SER HA H 3.962 0.030 1
218 26 26 SER CB C 62.203 0.300 1
219 26 26 SER HB2 H 3.769 0.030 1
220 26 26 SER HB3 H 3.769 0.030 1
221 26 26 SER C C 176.506 0.300 1
222 27 27 ASN N N 118.519 0.300 1
223 27 27 ASN H H 7.575 0.030 1
224 27 27 ASN CA C 55.248 0.300 1
225 27 27 ASN HA H 4.432 0.030 1
226 27 27 ASN CB C 37.796 0.300 1
227 27 27 ASN HB2 H 2.899 0.030 2
228 27 27 ASN HB3 H 2.801 0.030 2
229 27 27 ASN ND2 N 112.825 0.300 1
230 27 27 ASN HD21 H 7.099 0.030 2
231 27 27 ASN HD22 H 7.918 0.030 2
232 27 27 ASN C C 177.845 0.300 1
233 28 28 LEU N N 123.404 0.300 1
234 28 28 LEU H H 7.347 0.030 1
235 28 28 LEU CA C 58.281 0.300 1
236 28 28 LEU HA H 3.278 0.030 1
237 28 28 LEU CB C 40.486 0.300 1
238 28 28 LEU HB2 H 2.126 0.030 2
239 28 28 LEU HB3 H 1.320 0.030 2
240 28 28 LEU CG C 27.467 0.300 1
241 28 28 LEU HG H 1.479 0.030 1
242 28 28 LEU CD1 C 26.545 0.300 2
243 28 28 LEU HD1 H 1.014 0.030 1
244 28 28 LEU CD2 C 22.915 0.300 2
245 28 28 LEU HD2 H 0.993 0.030 1
246 28 28 LEU C C 177.276 0.300 1
247 29 29 ILE N N 120.611 0.300 1
248 29 29 ILE H H 8.285 0.030 1
249 29 29 ILE CA C 65.036 0.300 1
250 29 29 ILE HA H 3.727 0.030 1
251 29 29 ILE CB C 37.616 0.300 1
252 29 29 ILE HB H 1.855 0.030 1
253 29 29 ILE CG1 C 29.101 0.300 1
254 29 29 ILE HG12 H 1.170 0.030 2
255 29 29 ILE HG13 H 1.577 0.030 2
256 29 29 ILE CG2 C 17.086 0.300 1
257 29 29 ILE HG2 H 0.856 0.030 1
258 29 29 ILE CD1 C 13.051 0.300 1
259 29 29 ILE HD1 H 0.761 0.030 1
260 29 29 ILE C C 179.149 0.300 1
261 30 30 VAL N N 119.090 0.300 1
262 30 30 VAL H H 7.578 0.030 1
263 30 30 VAL CA C 66.753 0.300 1
264 30 30 VAL HA H 3.469 0.030 1
265 30 30 VAL CB C 31.959 0.300 1
266 30 30 VAL HB H 1.946 0.030 1
267 30 30 VAL CG1 C 22.666 0.300 2
268 30 30 VAL HG1 H 1.031 0.030 1
269 30 30 VAL CG2 C 21.115 0.300 2
270 30 30 VAL HG2 H 0.893 0.030 1
271 30 30 VAL C C 179.079 0.300 1
272 31 31 HIS N N 119.088 0.300 1
273 31 31 HIS H H 7.441 0.030 1
274 31 31 HIS CA C 59.210 0.300 1
275 31 31 HIS HA H 4.197 0.030 1
276 31 31 HIS CB C 28.110 0.300 1
277 31 31 HIS HB2 H 2.964 0.030 2
278 31 31 HIS HB3 H 2.708 0.030 2
279 31 31 HIS CD2 C 127.394 0.300 1
280 31 31 HIS HD2 H 6.827 0.030 1
281 31 31 HIS CE1 C 139.442 0.300 1
282 31 31 HIS HE1 H 7.961 0.030 1
283 31 31 HIS C C 178.149 0.300 1
284 32 32 GLN N N 120.672 0.300 1
285 32 32 GLN H H 8.973 0.030 1
286 32 32 GLN CA C 59.954 0.300 1
287 32 32 GLN HA H 3.620 0.030 1
288 32 32 GLN CB C 28.132 0.300 1
289 32 32 GLN HB2 H 2.158 0.030 2
290 32 32 GLN HB3 H 2.349 0.030 2
291 32 32 GLN CG C 35.762 0.300 1
292 32 32 GLN HG2 H 2.831 0.030 2
293 32 32 GLN HG3 H 2.748 0.030 2
294 32 32 GLN NE2 N 111.786 0.300 1
295 32 32 GLN HE21 H 6.894 0.030 2
296 32 32 GLN HE22 H 7.691 0.030 2
297 32 32 GLN C C 177.938 0.300 1
298 33 33 ARG N N 117.768 0.300 1
299 33 33 ARG H H 7.323 0.030 1
300 33 33 ARG CA C 58.576 0.300 1
301 33 33 ARG HA H 4.171 0.030 1
302 33 33 ARG CB C 30.016 0.300 1
303 33 33 ARG HB2 H 1.836 0.030 2
304 33 33 ARG HB3 H 1.932 0.030 2
305 33 33 ARG CG C 27.793 0.300 1
306 33 33 ARG HG2 H 1.674 0.030 2
307 33 33 ARG HG3 H 1.896 0.030 2
308 33 33 ARG CD C 43.799 0.300 1
309 33 33 ARG HD2 H 3.166 0.030 1
310 33 33 ARG HD3 H 3.166 0.030 1
311 33 33 ARG C C 178.202 0.300 1
312 34 34 THR N N 109.590 0.300 1
313 34 34 THR H H 7.812 0.030 1
314 34 34 THR CA C 63.867 0.300 1
315 34 34 THR HA H 4.113 0.030 1
316 34 34 THR CB C 69.435 0.300 1
317 34 34 THR HB H 4.012 0.030 1
318 34 34 THR CG2 C 20.915 0.300 1
319 34 34 THR HG2 H 1.149 0.030 1
320 34 34 THR C C 175.584 0.300 1
321 35 35 HIS N N 118.698 0.300 1
322 35 35 HIS H H 7.187 0.030 1
323 35 35 HIS CA C 55.498 0.300 1
324 35 35 HIS HA H 4.864 0.030 1
325 35 35 HIS CB C 28.676 0.300 1
326 35 35 HIS HB2 H 3.180 0.030 2
327 35 35 HIS HB3 H 3.312 0.030 2
328 35 35 HIS CD2 C 126.962 0.300 1
329 35 35 HIS HD2 H 6.627 0.030 1
330 35 35 HIS CE1 C 139.871 0.300 1
331 35 35 HIS HE1 H 7.987 0.030 1
332 35 35 HIS C C 175.584 0.300 1
333 36 36 THR N N 112.399 0.300 1
334 36 36 THR H H 7.811 0.030 1
335 36 36 THR CA C 62.362 0.300 1
336 36 36 THR HA H 4.358 0.030 1
337 36 36 THR CB C 69.845 0.300 1
338 36 36 THR HB H 4.313 0.030 1
339 36 36 THR CG2 C 21.572 0.300 1
340 36 36 THR HG2 H 1.223 0.030 1
341 36 36 THR C C 175.377 0.300 1
342 37 37 GLY N N 111.020 0.300 1
343 37 37 GLY H H 8.446 0.030 1
344 37 37 GLY CA C 45.083 0.300 1
345 37 37 GLY HA2 H 3.985 0.030 1
346 37 37 GLY HA3 H 3.985 0.030 1
347 37 37 GLY C C 174.005 0.300 1
348 38 38 GLU N N 120.659 0.300 1
349 38 38 GLU H H 8.132 0.030 1
350 38 38 GLU CA C 56.441 0.300 1
351 38 38 GLU HA H 4.240 0.030 1
352 38 38 GLU CB C 30.497 0.300 1
353 38 38 GLU HB2 H 1.987 0.030 2
354 38 38 GLU HB3 H 1.905 0.030 2
355 38 38 GLU CG C 36.273 0.300 1
356 38 38 GLU HG2 H 2.248 0.030 2
357 38 38 GLU HG3 H 2.204 0.030 2
358 38 38 GLU C C 176.239 0.300 1
359 39 39 LYS N N 123.933 0.300 1
360 39 39 LYS H H 8.428 0.030 1
361 39 39 LYS CA C 54.087 0.300 1
362 39 39 LYS HA H 4.601 0.030 1
363 39 39 LYS CB C 32.513 0.300 1
364 39 39 LYS HB2 H 1.812 0.030 2
365 39 39 LYS HB3 H 1.725 0.030 2
366 39 39 LYS CG C 24.496 0.300 1
367 39 39 LYS HG2 H 1.458 0.030 1
368 39 39 LYS HG3 H 1.458 0.030 1
369 39 39 LYS CD C 29.127 0.300 1
370 39 39 LYS HD2 H 1.671 0.030 1
371 39 39 LYS HD3 H 1.671 0.030 1
372 39 39 LYS CE C 42.224 0.300 1
373 39 39 LYS HE2 H 2.987 0.030 1
374 39 39 LYS HE3 H 2.987 0.030 1
375 39 39 LYS C C 174.467 0.300 1
376 40 40 PRO CA C 63.220 0.300 1
377 40 40 PRO HA H 4.446 0.030 1
378 40 40 PRO CB C 32.146 0.300 1
379 40 40 PRO HB2 H 2.316 0.030 2
380 40 40 PRO HB3 H 1.935 0.030 2
381 40 40 PRO CG C 27.377 0.300 1
382 40 40 PRO HG2 H 2.011 0.030 1
383 40 40 PRO HG3 H 2.011 0.030 1
384 40 40 PRO CD C 50.697 0.300 1
385 40 40 PRO HD2 H 3.634 0.030 2
386 40 40 PRO HD3 H 3.807 0.030 2
387 40 40 PRO C C 176.972 0.300 1
388 41 41 SER N N 116.493 0.300 1
389 41 41 SER H H 8.462 0.030 1
390 41 41 SER CA C 58.320 0.300 1
391 41 41 SER HA H 4.470 0.030 1
392 41 41 SER CB C 64.163 0.300 1
393 41 41 SER HB2 H 3.907 0.030 1
394 41 41 SER HB3 H 3.907 0.030 1
395 41 41 SER C C 174.635 0.300 1
396 42 42 GLY CA C 44.675 0.300 1
397 42 42 GLY HA2 H 4.151 0.030 2
398 42 42 GLY HA3 H 4.095 0.030 2
399 43 43 PRO CA C 63.213 0.300 1
400 43 43 PRO HA H 4.476 0.030 1
401 43 43 PRO CB C 32.217 0.300 1
402 43 43 PRO HB2 H 2.280 0.030 2
403 43 43 PRO HB3 H 1.993 0.030 2
404 43 43 PRO CG C 27.178 0.300 1
405 43 43 PRO HG2 H 2.010 0.030 1
406 43 43 PRO HG3 H 2.010 0.030 1
407 43 43 PRO CD C 49.789 0.300 1
408 43 43 PRO HD2 H 3.619 0.030 1
409 43 43 PRO HD3 H 3.619 0.030 1
410 45 45 SER CA C 58.359 0.300 1
411 45 45 SER HA H 4.496 0.030 1
412 45 45 SER CB C 64.036 0.300 1
413 45 45 SER HB2 H 3.894 0.030 1
414 45 45 SER HB3 H 3.894 0.030 1
415 45 45 SER C C 173.895 0.300 1
416 46 46 GLY N N 116.863 0.300 1
417 46 46 GLY H H 8.039 0.030 1
418 46 46 GLY CA C 46.234 0.300 1
419 46 46 GLY HA2 H 3.745 0.030 2
420 46 46 GLY HA3 H 3.781 0.030 2
421 46 46 GLY C C 178.966 0.300 1
stop_
save_