data_10204
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the C2H2 type zinc finger (region 612-644) of human Zinc
finger protein 28 homolog
;
_BMRB_accession_number 10204
_BMRB_flat_file_name bmr10204.str
_Entry_type original
_Submission_date 2008-03-05
_Accession_date 2008-03-05
_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" 211
"13C chemical shifts" 155
"15N chemical shifts" 34
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-03-05 original author .
stop_
_Original_release_date 2009-03-05
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 612-644) of human Zinc
finger protein 28 homolog
;
_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 28 homolog'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'zf-C2H2 domain' $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 domain'
_Molecular_mass .
_Mol_thiol_state 'all other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 46
_Mol_residue_sequence
;
GSSGSSGTGEKPFECAECGK
SFSISSQLATHQRIHTGEKP
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 ALA 17 GLU 18 CYS 19 GLY 20 LYS
21 SER 22 PHE 23 SER 24 ILE 25 SER
26 SER 27 GLN 28 LEU 29 ALA 30 THR
31 HIS 32 GLN 33 ARG 34 ILE 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 2EMJ "Solution Structure Of The C2h2 Type Zinc Finger (Region 612- 644) Of Human Zinc Finger Protein 28 Homolog" 100.00 46 100.00 100.00 7.59e-22
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 P061225-33
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 0.05 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 TOPSPIN
_Version 1.3
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 II'
_Field_strength 900
_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 domain'
_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 45.446 0.300 1
2 7 7 GLY HA2 H 4.044 0.030 2
3 7 7 GLY C C 174.517 0.300 1
4 8 8 THR N N 112.820 0.300 1
5 8 8 THR H H 8.156 0.030 1
6 8 8 THR CA C 61.841 0.300 1
7 8 8 THR HA H 4.387 0.030 1
8 8 8 THR CB C 69.860 0.300 1
9 8 8 THR HB H 4.310 0.030 1
10 8 8 THR CG2 C 21.535 0.300 1
11 8 8 THR HG2 H 1.200 0.030 1
12 8 8 THR C C 175.270 0.300 1
13 9 9 GLY N N 110.629 0.300 1
14 9 9 GLY H H 8.224 0.030 1
15 9 9 GLY CA C 45.301 0.300 1
16 9 9 GLY HA2 H 3.936 0.030 2
17 9 9 GLY HA3 H 3.974 0.030 2
18 10 10 GLU N N 120.185 0.300 1
19 10 10 GLU H H 8.244 0.030 1
20 10 10 GLU CA C 56.913 0.300 1
21 10 10 GLU HA H 4.206 0.030 1
22 10 10 GLU CB C 30.432 0.300 1
23 10 10 GLU HB2 H 2.013 0.030 2
24 10 10 GLU HB3 H 1.910 0.030 2
25 10 10 GLU CG C 36.317 0.300 1
26 10 10 GLU HG2 H 2.218 0.030 2
27 10 10 GLU HG3 H 2.268 0.030 2
28 11 11 LYS N N 121.853 0.300 1
29 11 11 LYS H H 8.314 0.030 1
30 11 11 LYS CA C 53.894 0.300 1
31 11 11 LYS HA H 4.547 0.030 1
32 11 11 LYS CB C 32.861 0.300 1
33 11 11 LYS HB2 H 1.610 0.030 2
34 11 11 LYS HB3 H 1.498 0.030 2
35 11 11 LYS CG C 24.690 0.300 1
36 11 11 LYS HG2 H 1.332 0.030 2
37 11 11 LYS HG3 H 1.236 0.030 2
38 11 11 LYS CD C 29.363 0.300 1
39 11 11 LYS HD2 H 1.571 0.030 2
40 11 11 LYS HD3 H 1.499 0.030 2
41 11 11 LYS CE C 42.241 0.300 1
42 11 11 LYS HE2 H 2.922 0.030 2
43 11 11 LYS C C 174.542 0.300 1
44 12 12 PRO CA C 63.480 0.300 1
45 12 12 PRO HA H 4.305 0.030 1
46 12 12 PRO CB C 32.288 0.300 1
47 12 12 PRO HB2 H 2.013 0.030 2
48 12 12 PRO HB3 H 1.378 0.030 2
49 12 12 PRO CG C 26.768 0.300 1
50 12 12 PRO HG2 H 1.672 0.030 2
51 12 12 PRO HG3 H 1.835 0.030 2
52 12 12 PRO CD C 50.355 0.300 1
53 12 12 PRO HD2 H 3.684 0.030 2
54 12 12 PRO HD3 H 3.635 0.030 2
55 12 12 PRO C C 176.266 0.300 1
56 13 13 PHE N N 118.209 0.300 1
57 13 13 PHE H H 8.027 0.030 1
58 13 13 PHE CA C 57.480 0.300 1
59 13 13 PHE HA H 4.646 0.030 1
60 13 13 PHE CB C 39.143 0.300 1
61 13 13 PHE HB2 H 2.964 0.030 2
62 13 13 PHE HB3 H 3.050 0.030 2
63 13 13 PHE CD1 C 131.713 0.300 1
64 13 13 PHE HD1 H 7.159 0.030 1
65 13 13 PHE CD2 C 131.713 0.300 1
66 13 13 PHE HD2 H 7.159 0.030 1
67 13 13 PHE CE1 C 131.675 0.300 1
68 13 13 PHE HE1 H 7.457 0.030 1
69 13 13 PHE CE2 C 131.675 0.300 1
70 13 13 PHE HE2 H 7.457 0.030 1
71 13 13 PHE CZ C 130.167 0.300 1
72 13 13 PHE HZ H 7.422 0.030 1
73 13 13 PHE C C 174.299 0.300 1
74 14 14 GLU N N 124.594 0.300 1
75 14 14 GLU H H 8.557 0.030 1
76 14 14 GLU CA C 55.040 0.300 1
77 14 14 GLU HA H 4.808 0.030 1
78 14 14 GLU CB C 32.995 0.300 1
79 14 14 GLU HB2 H 1.842 0.030 1
80 14 14 GLU HB3 H 1.842 0.030 1
81 14 14 GLU CG C 36.453 0.300 1
82 14 14 GLU HG2 H 1.912 0.030 2
83 14 14 GLU HG3 H 1.990 0.030 2
84 14 14 GLU C C 175.064 0.300 1
85 15 15 CYS N N 127.042 0.300 1
86 15 15 CYS H H 9.223 0.030 1
87 15 15 CYS CA C 59.448 0.300 1
88 15 15 CYS HA H 4.559 0.030 1
89 15 15 CYS CB C 29.596 0.300 1
90 15 15 CYS HB2 H 3.417 0.030 2
91 15 15 CYS HB3 H 2.855 0.030 2
92 15 15 CYS C C 176.934 0.300 1
93 16 16 ALA N N 121.197 0.300 1
94 16 16 ALA H H 9.386 0.030 1
95 16 16 ALA CA C 54.526 0.300 1
96 16 16 ALA HA H 4.243 0.030 1
97 16 16 ALA CB C 18.918 0.300 1
98 16 16 ALA HB H 1.535 0.030 1
99 16 16 ALA C C 178.161 0.300 1
100 17 17 GLU N N 118.104 0.300 1
101 17 17 GLU H H 8.565 0.030 1
102 17 17 GLU CA C 58.342 0.300 1
103 17 17 GLU HA H 4.183 0.030 1
104 17 17 GLU CB C 29.540 0.300 1
105 17 17 GLU HB2 H 1.365 0.030 2
106 17 17 GLU HB3 H 1.402 0.030 2
107 17 17 GLU CG C 35.697 0.300 1
108 17 17 GLU HG2 H 1.789 0.030 2
109 17 17 GLU HG3 H 1.911 0.030 2
110 17 17 GLU C C 177.383 0.300 1
111 18 18 CYS N N 114.477 0.300 1
112 18 18 CYS H H 7.922 0.030 1
113 18 18 CYS CA C 58.458 0.300 1
114 18 18 CYS HA H 5.191 0.030 1
115 18 18 CYS CB C 32.615 0.300 1
116 18 18 CYS HB2 H 3.448 0.030 2
117 18 18 CYS HB3 H 2.859 0.030 2
118 18 18 CYS C C 176.327 0.300 1
119 19 19 GLY N N 113.483 0.300 1
120 19 19 GLY H H 8.278 0.030 1
121 19 19 GLY CA C 46.201 0.300 1
122 19 19 GLY HA2 H 4.245 0.030 2
123 19 19 GLY HA3 H 3.885 0.030 2
124 19 19 GLY C C 173.983 0.300 1
125 20 20 LYS N N 122.831 0.300 1
126 20 20 LYS H H 7.964 0.030 1
127 20 20 LYS CA C 57.920 0.300 1
128 20 20 LYS HA H 4.054 0.030 1
129 20 20 LYS CB C 33.613 0.300 1
130 20 20 LYS HB2 H 1.248 0.030 2
131 20 20 LYS HB3 H 1.378 0.030 2
132 20 20 LYS CG C 26.368 0.300 1
133 20 20 LYS HG2 H 1.196 0.030 2
134 20 20 LYS HG3 H 1.475 0.030 2
135 20 20 LYS CD C 29.195 0.300 1
136 20 20 LYS HD2 H 1.534 0.030 1
137 20 20 LYS HD3 H 1.534 0.030 1
138 20 20 LYS CE C 42.273 0.300 1
139 20 20 LYS HE2 H 2.962 0.030 2
140 20 20 LYS HE3 H 3.025 0.030 2
141 20 20 LYS C C 174.311 0.300 1
142 21 21 SER N N 115.065 0.300 1
143 21 21 SER H H 7.780 0.030 1
144 21 21 SER CA C 56.653 0.300 1
145 21 21 SER HA H 5.311 0.030 1
146 21 21 SER CB C 66.094 0.300 1
147 21 21 SER HB2 H 3.638 0.030 1
148 21 21 SER HB3 H 3.638 0.030 1
149 21 21 SER C C 173.133 0.300 1
150 22 22 PHE N N 117.950 0.300 1
151 22 22 PHE H H 8.696 0.030 1
152 22 22 PHE CA C 57.415 0.300 1
153 22 22 PHE HA H 4.824 0.030 1
154 22 22 PHE CB C 43.800 0.300 1
155 22 22 PHE HB2 H 3.609 0.030 2
156 22 22 PHE HB3 H 2.643 0.030 2
157 22 22 PHE CD1 C 132.504 0.300 1
158 22 22 PHE HD1 H 7.219 0.030 1
159 22 22 PHE CD2 C 132.504 0.300 1
160 22 22 PHE HD2 H 7.219 0.030 1
161 22 22 PHE CE1 C 130.656 0.300 1
162 22 22 PHE HE1 H 6.855 0.030 1
163 22 22 PHE CE2 C 130.656 0.300 1
164 22 22 PHE HE2 H 6.855 0.030 1
165 22 22 PHE CZ C 128.803 0.300 1
166 22 22 PHE HZ H 6.300 0.030 1
167 22 22 PHE C C 175.440 0.300 1
168 23 23 SER N N 116.091 0.300 1
169 23 23 SER H H 9.091 0.030 1
170 23 23 SER CA C 61.106 0.300 1
171 23 23 SER HA H 4.681 0.030 1
172 23 23 SER CB C 64.301 0.300 1
173 23 23 SER HB2 H 4.104 0.030 1
174 23 23 SER HB3 H 4.104 0.030 1
175 23 23 SER C C 173.898 0.300 1
176 24 24 ILE N N 114.094 0.300 1
177 24 24 ILE H H 7.324 0.030 1
178 24 24 ILE CA C 59.668 0.300 1
179 24 24 ILE HA H 4.710 0.030 1
180 24 24 ILE CB C 41.565 0.300 1
181 24 24 ILE HB H 1.885 0.030 1
182 24 24 ILE CG1 C 26.386 0.300 1
183 24 24 ILE HG12 H 1.131 0.030 2
184 24 24 ILE HG13 H 1.338 0.030 2
185 24 24 ILE CG2 C 17.984 0.300 1
186 24 24 ILE HG2 H 1.013 0.030 1
187 24 24 ILE CD1 C 13.184 0.300 1
188 24 24 ILE HD1 H 0.888 0.030 1
189 24 24 ILE C C 176.812 0.300 1
190 25 25 SER N N 122.408 0.300 1
191 25 25 SER H H 8.516 0.030 1
192 25 25 SER CA C 61.632 0.300 1
193 25 25 SER HA H 2.913 0.030 1
194 25 25 SER CB C 61.900 0.300 1
195 25 25 SER HB2 H 3.245 0.030 2
196 25 25 SER HB3 H 3.432 0.030 2
197 25 25 SER C C 175.441 0.300 1
198 26 26 SER CA C 60.783 0.300 1
199 26 26 SER HA H 4.116 0.030 1
200 26 26 SER CB C 61.616 0.300 1
201 26 26 SER HB2 H 3.864 0.030 1
202 26 26 SER HB3 H 3.864 0.030 1
203 26 26 SER C C 177.043 0.300 1
204 27 27 GLN N N 120.773 0.300 1
205 27 27 GLN H H 6.969 0.030 1
206 27 27 GLN CA C 57.897 0.300 1
207 27 27 GLN HA H 4.039 0.030 1
208 27 27 GLN CB C 28.426 0.300 1
209 27 27 GLN HB2 H 2.372 0.030 2
210 27 27 GLN HB3 H 2.017 0.030 2
211 27 27 GLN CG C 34.237 0.300 1
212 27 27 GLN HG2 H 2.494 0.030 2
213 27 27 GLN HG3 H 2.348 0.030 2
214 27 27 GLN NE2 N 110.806 0.300 1
215 27 27 GLN HE21 H 7.037 0.030 2
216 27 27 GLN HE22 H 7.588 0.030 2
217 27 27 GLN C C 178.938 0.300 1
218 28 28 LEU N N 120.821 0.300 1
219 28 28 LEU H H 6.728 0.030 1
220 28 28 LEU CA C 57.617 0.300 1
221 28 28 LEU HA H 3.384 0.030 1
222 28 28 LEU CB C 40.143 0.300 1
223 28 28 LEU HB2 H 1.977 0.030 2
224 28 28 LEU HB3 H 1.291 0.030 2
225 28 28 LEU CG C 27.503 0.300 1
226 28 28 LEU HG H 1.567 0.030 1
227 28 28 LEU CD1 C 26.417 0.300 2
228 28 28 LEU HD1 H 1.063 0.030 1
229 28 28 LEU CD2 C 22.889 0.300 2
230 28 28 LEU HD2 H 1.078 0.030 1
231 28 28 LEU C C 177.298 0.300 1
232 29 29 ALA N N 121.094 0.300 1
233 29 29 ALA H H 7.783 0.030 1
234 29 29 ALA CA C 55.263 0.300 1
235 29 29 ALA HA H 4.170 0.030 1
236 29 29 ALA CB C 17.736 0.300 1
237 29 29 ALA HB H 1.410 0.030 1
238 29 29 ALA C C 180.735 0.300 1
239 30 30 THR N N 113.821 0.300 1
240 30 30 THR H H 7.746 0.030 1
241 30 30 THR CA C 66.306 0.300 1
242 30 30 THR HA H 3.817 0.030 1
243 30 30 THR CB C 68.819 0.300 1
244 30 30 THR HB H 4.032 0.030 1
245 30 30 THR CG2 C 22.008 0.300 1
246 30 30 THR HG2 H 1.212 0.030 1
247 30 30 THR C C 176.566 0.300 1
248 31 31 HIS N N 121.819 0.300 1
249 31 31 HIS H H 7.543 0.030 1
250 31 31 HIS CA C 59.405 0.300 1
251 31 31 HIS HA H 4.166 0.030 1
252 31 31 HIS CB C 28.632 0.300 1
253 31 31 HIS HB2 H 3.138 0.030 2
254 31 31 HIS HB3 H 2.862 0.030 2
255 31 31 HIS CD2 C 127.186 0.300 1
256 31 31 HIS HD2 H 6.982 0.030 1
257 31 31 HIS CE1 C 139.679 0.300 1
258 31 31 HIS HE1 H 8.041 0.030 1
259 31 31 HIS C C 176.084 0.300 1
260 32 32 GLN N N 115.014 0.300 1
261 32 32 GLN H H 8.439 0.030 1
262 32 32 GLN CA C 59.346 0.300 1
263 32 32 GLN HA H 3.717 0.030 1
264 32 32 GLN CB C 28.356 0.300 1
265 32 32 GLN HB2 H 2.218 0.030 2
266 32 32 GLN HB3 H 2.326 0.030 2
267 32 32 GLN CG C 35.321 0.300 1
268 32 32 GLN HG2 H 2.813 0.030 1
269 32 32 GLN HG3 H 2.813 0.030 1
270 32 32 GLN NE2 N 112.498 0.300 1
271 32 32 GLN HE21 H 7.640 0.030 2
272 32 32 GLN HE22 H 7.067 0.030 2
273 32 32 GLN C C 177.457 0.300 1
274 33 33 ARG N N 117.225 0.300 1
275 33 33 ARG H H 7.124 0.030 1
276 33 33 ARG CA C 58.406 0.300 1
277 33 33 ARG HA H 4.151 0.030 1
278 33 33 ARG CB C 29.973 0.300 1
279 33 33 ARG HB2 H 1.810 0.030 2
280 33 33 ARG HB3 H 1.914 0.030 2
281 33 33 ARG CG C 27.633 0.300 1
282 33 33 ARG HG2 H 1.874 0.030 2
283 33 33 ARG HG3 H 1.681 0.030 2
284 33 33 ARG CD C 43.547 0.300 1
285 33 33 ARG HD2 H 3.223 0.030 1
286 33 33 ARG HD3 H 3.223 0.030 1
287 33 33 ARG C C 178.610 0.300 1
288 34 34 ILE N N 116.430 0.300 1
289 34 34 ILE H H 7.824 0.030 1
290 34 34 ILE CA C 63.156 0.300 1
291 34 34 ILE HA H 3.975 0.030 1
292 34 34 ILE CB C 37.697 0.300 1
293 34 34 ILE HB H 1.669 0.030 1
294 34 34 ILE CG1 C 26.729 0.300 1
295 34 34 ILE HG12 H 0.786 0.030 2
296 34 34 ILE HG13 H 0.938 0.030 2
297 34 34 ILE CG2 C 16.465 0.300 1
298 34 34 ILE HG2 H 0.589 0.030 1
299 34 34 ILE CD1 C 14.372 0.300 1
300 34 34 ILE HD1 H 0.712 0.030 1
301 34 34 ILE C C 177.432 0.300 1
302 35 35 HIS N N 117.622 0.300 1
303 35 35 HIS H H 7.205 0.030 1
304 35 35 HIS CA C 55.332 0.300 1
305 35 35 HIS HA H 4.866 0.030 1
306 35 35 HIS CB C 28.598 0.300 1
307 35 35 HIS HB2 H 3.246 0.030 2
308 35 35 HIS HB3 H 3.371 0.030 2
309 35 35 HIS CD2 C 127.694 0.300 1
310 35 35 HIS HD2 H 6.779 0.030 1
311 35 35 HIS CE1 C 139.993 0.300 1
312 35 35 HIS HE1 H 8.053 0.030 1
313 35 35 HIS C C 175.877 0.300 1
314 36 36 THR N N 111.682 0.300 1
315 36 36 THR H H 7.791 0.030 1
316 36 36 THR CA C 62.540 0.300 1
317 36 36 THR HA H 4.366 0.030 1
318 36 36 THR CB C 69.869 0.300 1
319 36 36 THR HB H 4.339 0.030 1
320 36 36 THR CG2 C 21.610 0.300 1
321 36 36 THR HG2 H 1.257 0.030 1
322 36 36 THR C C 175.490 0.300 1
323 37 37 GLY N N 111.018 0.300 1
324 37 37 GLY H H 8.462 0.030 1
325 37 37 GLY CA C 45.323 0.300 1
326 37 37 GLY HA2 H 3.967 0.030 2
327 37 37 GLY HA3 H 4.042 0.030 2
328 37 37 GLY C C 174.068 0.300 1
329 38 38 GLU N N 120.568 0.300 1
330 38 38 GLU H H 8.092 0.030 1
331 38 38 GLU CA C 56.475 0.300 1
332 38 38 GLU HA H 4.262 0.030 1
333 38 38 GLU CB C 30.555 0.300 1
334 38 38 GLU HB2 H 1.917 0.030 2
335 38 38 GLU HB3 H 2.007 0.030 2
336 38 38 GLU CG C 36.185 0.300 1
337 38 38 GLU HG2 H 2.220 0.030 2
338 38 38 GLU HG3 H 2.290 0.030 2
339 38 38 GLU C C 176.242 0.300 1
340 39 39 LYS N N 123.829 0.300 1
341 39 39 LYS H H 8.398 0.030 1
342 39 39 LYS CA C 54.142 0.300 1
343 39 39 LYS HA H 4.624 0.030 1
344 39 39 LYS CB C 32.528 0.300 1
345 39 39 LYS HB2 H 1.834 0.030 2
346 39 39 LYS HB3 H 1.743 0.030 2
347 39 39 LYS CG C 24.516 0.300 1
348 39 39 LYS HG2 H 1.485 0.030 1
349 39 39 LYS HG3 H 1.485 0.030 1
350 39 39 LYS CD C 29.164 0.300 1
351 39 39 LYS HD2 H 1.702 0.030 1
352 39 39 LYS HD3 H 1.702 0.030 1
353 39 39 LYS CE C 42.244 0.300 1
354 39 39 LYS HE2 H 2.928 0.030 1
355 39 39 LYS HE3 H 2.928 0.030 1
356 40 40 PRO CA C 63.167 0.300 1
357 40 40 PRO HA H 4.470 0.030 1
358 40 40 PRO CB C 32.193 0.300 1
359 40 40 PRO HB2 H 2.318 0.030 2
360 40 40 PRO HB3 H 1.957 0.030 2
361 40 40 PRO CG C 27.432 0.300 1
362 40 40 PRO HG2 H 2.034 0.030 1
363 40 40 PRO HG3 H 2.034 0.030 1
364 40 40 PRO CD C 50.706 0.300 1
365 40 40 PRO HD2 H 3.662 0.030 2
366 40 40 PRO HD3 H 3.831 0.030 2
367 40 40 PRO C C 177.019 0.300 1
368 41 41 SER N N 116.494 0.300 1
369 41 41 SER H H 8.475 0.030 1
370 41 41 SER CA C 58.355 0.300 1
371 41 41 SER HA H 4.472 0.030 1
372 41 41 SER CB C 64.047 0.300 1
373 41 41 SER HB2 H 3.899 0.030 2
374 41 41 SER C C 174.761 0.300 1
375 42 42 GLY CA C 44.674 0.300 1
376 42 42 GLY HA2 H 4.117 0.030 2
377 42 42 GLY HA3 H 4.175 0.030 2
378 43 43 PRO CA C 63.252 0.300 1
379 43 43 PRO HA H 4.485 0.030 1
380 43 43 PRO CB C 32.259 0.300 1
381 43 43 PRO HB2 H 2.304 0.030 2
382 43 43 PRO HB3 H 2.005 0.030 2
383 43 43 PRO CG C 27.181 0.300 1
384 43 43 PRO HG2 H 2.029 0.030 1
385 43 43 PRO HG3 H 2.029 0.030 1
386 43 43 PRO CD C 49.823 0.300 1
387 43 43 PRO HD2 H 3.642 0.030 1
388 43 43 PRO HD3 H 3.642 0.030 1
389 45 45 SER CA C 58.354 0.300 1
390 45 45 SER HA H 4.511 0.030 1
391 45 45 SER CB C 64.043 0.300 1
392 45 45 SER HB2 H 3.888 0.030 1
393 45 45 SER HB3 H 3.888 0.030 1
394 45 45 SER C C 173.934 0.300 1
395 46 46 GLY N N 109.873 0.300 1
396 46 46 GLY H H 8.047 0.030 1
397 46 46 GLY CA C 46.247 0.300 1
398 46 46 GLY HA2 H 3.812 0.030 2
399 46 46 GLY HA3 H 3.764 0.030 2
400 46 46 GLY C C 178.987 0.300 1
stop_
save_