data_11385
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the third C2H2 type zinc finger domain of Zinc finger
protein 28 homolog
;
_BMRB_accession_number 11385
_BMRB_flat_file_name bmr11385.str
_Entry_type original
_Submission_date 2010-09-08
_Accession_date 2010-09-08
_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 Tanabe W. . .
2 Suzuki S. . .
3 Muto Y. . .
4 Inoue M. . .
5 Kigawa T. . .
6 Terada T. . .
7 Shirouzu M. . .
8 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" 217
"13C chemical shifts" 161
"15N chemical shifts" 31
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-09-07 original author .
stop_
_Original_release_date 2011-09-07
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of the third C2H2 type zinc finger domain of 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 Tanabe W. . .
2 Suzuki S. . .
3 Muto Y. . .
4 Inoue M. . .
5 Kigawa T. . .
6 Terada T. . .
7 Shirouzu M. . .
8 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
'zinc finger domain, UNP residues 471-504' $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 'zinc finger domain, UNP residues 471-504'
_Molecular_mass .
_Mol_thiol_state 'all other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 47
_Mol_residue_sequence
;
GSSGSSGTGKKPYECIECGK
AFIQNTSLIRHWRYYHTGEK
PSGPSSG
;
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 LYS
11 LYS 12 PRO 13 TYR 14 GLU 15 CYS
16 ILE 17 GLU 18 CYS 19 GLY 20 LYS
21 ALA 22 PHE 23 ILE 24 GLN 25 ASN
26 THR 27 SER 28 LEU 29 ILE 30 ARG
31 HIS 32 TRP 33 ARG 34 TYR 35 TYR
36 HIS 37 THR 38 GLY 39 GLU 40 LYS
41 PRO 42 SER 43 GLY 44 PRO 45 SER
46 SER 47 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 2EPX "Solution Structure Of The Third C2h2 Type Zinc Finger Domain Of Zinc Finger Protein 28 Homolog" 100.00 47 100.00 100.00 9.00e-25
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_type
_Vector_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P061225-06
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
0.83mM 13C-15N {PROTEIN;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;}
0.02% {NaN3;} 0.05mM ZnCl2+1mM {IDA;} 90% H2O, 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.83 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
d-DTT 1 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
ZnCl2 0.05 mM 'natural abundance'
IDA 1 mM '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 20060702
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 2.1
loop_
_Vendor
_Address
_Electronic_address
'Guntert, 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 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-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_
_Software_label
$XWINNMR
$NMRPipe
$NMRView
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 15N-separated NOESY'
'3D 13C-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 'zinc finger domain, UNP residues 471-504'
_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 4.297 0.030 1
2 8 8 THR HB H 4.220 0.030 1
3 8 8 THR HG2 H 1.137 0.030 1
4 8 8 THR CA C 61.853 0.300 1
5 8 8 THR CB C 69.766 0.300 1
6 8 8 THR CG2 C 21.444 0.300 1
7 9 9 GLY HA2 H 3.875 0.030 1
8 9 9 GLY HA3 H 3.875 0.030 1
9 9 9 GLY C C 173.828 0.300 1
10 9 9 GLY CA C 45.206 0.300 1
11 10 10 LYS H H 8.042 0.030 1
12 10 10 LYS HA H 4.206 0.030 1
13 10 10 LYS HB2 H 1.693 0.030 2
14 10 10 LYS HB3 H 1.625 0.030 2
15 10 10 LYS HD2 H 1.583 0.030 1
16 10 10 LYS HD3 H 1.583 0.030 1
17 10 10 LYS HE2 H 2.912 0.030 1
18 10 10 LYS HE3 H 2.912 0.030 1
19 10 10 LYS HG2 H 1.292 0.030 1
20 10 10 LYS HG3 H 1.292 0.030 1
21 10 10 LYS C C 176.313 0.300 1
22 10 10 LYS CA C 56.039 0.300 1
23 10 10 LYS CB C 33.047 0.300 1
24 10 10 LYS CD C 28.999 0.300 1
25 10 10 LYS CE C 42.157 0.300 1
26 10 10 LYS CG C 24.575 0.300 1
27 10 10 LYS N N 120.853 0.300 1
28 11 11 LYS H H 8.306 0.030 1
29 11 11 LYS HA H 4.448 0.030 1
30 11 11 LYS HB2 H 1.537 0.030 1
31 11 11 LYS HB3 H 1.537 0.030 1
32 11 11 LYS HD2 H 1.478 0.030 1
33 11 11 LYS HD3 H 1.478 0.030 1
34 11 11 LYS HE2 H 2.859 0.030 1
35 11 11 LYS HE3 H 2.859 0.030 1
36 11 11 LYS HG2 H 1.339 0.030 2
37 11 11 LYS HG3 H 1.231 0.030 2
38 11 11 LYS C C 174.414 0.300 1
39 11 11 LYS CA C 54.021 0.300 1
40 11 11 LYS CB C 32.590 0.300 1
41 11 11 LYS CD C 29.290 0.300 1
42 11 11 LYS CE C 42.092 0.300 1
43 11 11 LYS CG C 24.824 0.300 1
44 11 11 LYS N N 124.007 0.300 1
45 12 12 PRO HA H 4.196 0.030 1
46 12 12 PRO HB2 H 1.961 0.030 2
47 12 12 PRO HB3 H 1.336 0.030 2
48 12 12 PRO HD2 H 3.674 0.030 2
49 12 12 PRO HD3 H 3.589 0.030 2
50 12 12 PRO HG2 H 1.800 0.030 1
51 12 12 PRO HG3 H 1.800 0.030 1
52 12 12 PRO C C 176.118 0.300 1
53 12 12 PRO CA C 63.397 0.300 1
54 12 12 PRO CB C 32.099 0.300 1
55 12 12 PRO CD C 50.505 0.300 1
56 12 12 PRO CG C 27.061 0.300 1
57 13 13 TYR H H 7.996 0.030 1
58 13 13 TYR HA H 4.574 0.030 1
59 13 13 TYR HB2 H 2.963 0.030 2
60 13 13 TYR HB3 H 2.834 0.030 2
61 13 13 TYR HD1 H 6.978 0.030 1
62 13 13 TYR HD2 H 6.978 0.030 1
63 13 13 TYR HE1 H 6.827 0.030 1
64 13 13 TYR HE2 H 6.827 0.030 1
65 13 13 TYR C C 174.637 0.300 1
66 13 13 TYR CA C 57.355 0.300 1
67 13 13 TYR CB C 38.511 0.300 1
68 13 13 TYR CD1 C 133.427 0.300 1
69 13 13 TYR CD2 C 133.427 0.300 1
70 13 13 TYR CE1 C 118.098 0.300 1
71 13 13 TYR CE2 C 118.098 0.300 1
72 13 13 TYR N N 117.910 0.300 1
73 14 14 GLU H H 8.391 0.030 1
74 14 14 GLU HA H 4.881 0.030 1
75 14 14 GLU HB2 H 1.754 0.030 1
76 14 14 GLU HB3 H 1.754 0.030 1
77 14 14 GLU HG2 H 1.944 0.030 2
78 14 14 GLU HG3 H 1.872 0.030 2
79 14 14 GLU C C 175.083 0.300 1
80 14 14 GLU CA C 54.874 0.300 1
81 14 14 GLU CB C 33.033 0.300 1
82 14 14 GLU CG C 36.518 0.300 1
83 14 14 GLU N N 122.910 0.300 1
84 15 15 CYS H H 9.182 0.030 1
85 15 15 CYS HA H 4.716 0.030 1
86 15 15 CYS HB2 H 3.220 0.030 2
87 15 15 CYS HB3 H 2.774 0.030 2
88 15 15 CYS C C 177.952 0.300 1
89 15 15 CYS CA C 59.148 0.300 1
90 15 15 CYS CB C 29.564 0.300 1
91 15 15 CYS N N 126.552 0.300 1
92 16 16 ILE H H 9.008 0.030 1
93 16 16 ILE HA H 4.096 0.030 1
94 16 16 ILE HB H 1.997 0.030 1
95 16 16 ILE HD1 H 0.856 0.030 1
96 16 16 ILE HG12 H 1.520 0.030 2
97 16 16 ILE HG13 H 1.344 0.030 2
98 16 16 ILE HG2 H 0.999 0.030 1
99 16 16 ILE C C 176.148 0.300 1
100 16 16 ILE CA C 63.338 0.300 1
101 16 16 ILE CB C 38.249 0.300 1
102 16 16 ILE CD1 C 13.806 0.300 1
103 16 16 ILE CG1 C 27.577 0.300 1
104 16 16 ILE CG2 C 17.917 0.300 1
105 16 16 ILE N N 129.987 0.300 1
106 17 17 GLU H H 8.676 0.030 1
107 17 17 GLU HA H 4.309 0.030 1
108 17 17 GLU HB2 H 1.347 0.030 2
109 17 17 GLU HB3 H 1.283 0.030 2
110 17 17 GLU HG2 H 1.917 0.030 2
111 17 17 GLU HG3 H 1.861 0.030 2
112 17 17 GLU C C 177.317 0.300 1
113 17 17 GLU CA C 58.278 0.300 1
114 17 17 GLU CB C 29.911 0.300 1
115 17 17 GLU CG C 36.290 0.300 1
116 17 17 GLU N N 122.438 0.300 1
117 18 18 CYS H H 8.159 0.030 1
118 18 18 CYS HA H 5.088 0.030 1
119 18 18 CYS HB2 H 3.293 0.030 2
120 18 18 CYS HB3 H 2.910 0.030 2
121 18 18 CYS C C 176.396 0.300 1
122 18 18 CYS CA C 58.782 0.300 1
123 18 18 CYS CB C 32.097 0.300 1
124 18 18 CYS N N 115.403 0.300 1
125 19 19 GLY H H 8.157 0.030 1
126 19 19 GLY HA2 H 4.121 0.030 2
127 19 19 GLY HA3 H 3.816 0.030 2
128 19 19 GLY C C 173.611 0.300 1
129 19 19 GLY CA C 46.196 0.300 1
130 19 19 GLY N N 113.157 0.300 1
131 20 20 LYS H H 7.681 0.030 1
132 20 20 LYS HA H 3.904 0.030 1
133 20 20 LYS HB2 H 1.269 0.030 2
134 20 20 LYS HB3 H 1.106 0.030 2
135 20 20 LYS HD2 H 1.383 0.030 1
136 20 20 LYS HD3 H 1.383 0.030 1
137 20 20 LYS HE2 H 2.870 0.030 2
138 20 20 LYS HE3 H 2.797 0.030 2
139 20 20 LYS HG2 H 0.984 0.030 2
140 20 20 LYS HG3 H 1.234 0.030 2
141 20 20 LYS C C 173.528 0.300 1
142 20 20 LYS CA C 57.590 0.300 1
143 20 20 LYS CB C 33.661 0.300 1
144 20 20 LYS CD C 29.097 0.300 1
145 20 20 LYS CE C 42.141 0.300 1
146 20 20 LYS CG C 25.954 0.300 1
147 20 20 LYS N N 122.197 0.300 1
148 21 21 ALA H H 7.784 0.030 1
149 21 21 ALA HA H 5.045 0.030 1
150 21 21 ALA HB H 1.153 0.030 1
151 21 21 ALA C C 176.300 0.300 1
152 21 21 ALA CA C 50.415 0.300 1
153 21 21 ALA CB C 22.179 0.300 1
154 21 21 ALA N N 124.072 0.300 1
155 22 22 PHE H H 8.625 0.030 1
156 22 22 PHE HA H 4.727 0.030 1
157 22 22 PHE HB2 H 3.333 0.030 2
158 22 22 PHE HB3 H 2.577 0.030 2
159 22 22 PHE HD1 H 7.169 0.030 1
160 22 22 PHE HD2 H 7.169 0.030 1
161 22 22 PHE HE1 H 6.796 0.030 1
162 22 22 PHE HE2 H 6.796 0.030 1
163 22 22 PHE HZ H 6.271 0.030 1
164 22 22 PHE C C 175.075 0.300 1
165 22 22 PHE CA C 57.180 0.300 1
166 22 22 PHE CB C 43.607 0.300 1
167 22 22 PHE CD1 C 132.369 0.300 1
168 22 22 PHE CD2 C 132.369 0.300 1
169 22 22 PHE CE1 C 130.509 0.300 1
170 22 22 PHE CE2 C 130.509 0.300 1
171 22 22 PHE CZ C 128.485 0.300 1
172 22 22 PHE N N 117.269 0.300 1
173 23 23 ILE H H 8.751 0.030 1
174 23 23 ILE HA H 4.196 0.030 1
175 23 23 ILE HB H 1.994 0.030 1
176 23 23 ILE HD1 H 0.882 0.030 1
177 23 23 ILE HG12 H 1.585 0.030 2
178 23 23 ILE HG13 H 1.312 0.030 2
179 23 23 ILE HG2 H 0.999 0.030 1
180 23 23 ILE C C 176.085 0.300 1
181 23 23 ILE CA C 63.074 0.300 1
182 23 23 ILE CB C 38.456 0.300 1
183 23 23 ILE CD1 C 13.035 0.300 1
184 23 23 ILE CG1 C 28.336 0.300 1
185 23 23 ILE CG2 C 17.935 0.300 1
186 23 23 ILE N N 119.757 0.300 1
187 24 24 GLN H H 7.724 0.030 1
188 24 24 GLN HA H 4.730 0.030 1
189 24 24 GLN HB2 H 2.002 0.030 2
190 24 24 GLN HB3 H 2.168 0.030 2
191 24 24 GLN HE21 H 6.900 0.030 2
192 24 24 GLN HE22 H 7.478 0.030 2
193 24 24 GLN HG2 H 2.391 0.030 1
194 24 24 GLN HG3 H 2.391 0.030 1
195 24 24 GLN C C 174.159 0.300 1
196 24 24 GLN CA C 53.914 0.300 1
197 24 24 GLN CB C 31.130 0.300 1
198 24 24 GLN CG C 33.647 0.300 1
199 24 24 GLN N N 115.272 0.300 1
200 24 24 GLN NE2 N 111.887 0.300 1
201 25 25 ASN HA H 3.546 0.030 1
202 25 25 ASN HB2 H 1.973 0.030 2
203 25 25 ASN HB3 H 2.297 0.030 2
204 25 25 ASN HD21 H 7.102 0.030 2
205 25 25 ASN HD22 H 6.666 0.030 2
206 25 25 ASN CA C 56.181 0.300 1
207 25 25 ASN CB C 38.033 0.300 1
208 25 25 ASN ND2 N 111.399 0.300 1
209 26 26 THR HA H 3.727 0.030 1
210 26 26 THR HB H 4.078 0.030 1
211 26 26 THR HG2 H 1.220 0.030 1
212 26 26 THR C C 177.185 0.300 1
213 26 26 THR CA C 65.127 0.300 1
214 26 26 THR CB C 67.963 0.300 1
215 26 26 THR CG2 C 22.460 0.300 1
216 27 27 SER H H 6.964 0.030 1
217 27 27 SER HA H 4.153 0.030 1
218 27 27 SER HB2 H 4.041 0.030 2
219 27 27 SER HB3 H 3.906 0.030 2
220 27 27 SER C C 175.594 0.300 1
221 27 27 SER CA C 60.872 0.300 1
222 27 27 SER CB C 62.399 0.300 1
223 27 27 SER N N 117.049 0.300 1
224 28 28 LEU H H 6.861 0.030 1
225 28 28 LEU HA H 3.200 0.030 1
226 28 28 LEU HB2 H 1.998 0.030 2
227 28 28 LEU HB3 H 1.143 0.030 2
228 28 28 LEU HD1 H 0.961 0.030 1
229 28 28 LEU HD2 H 1.012 0.030 1
230 28 28 LEU HG H 1.426 0.030 1
231 28 28 LEU C C 177.190 0.300 1
232 28 28 LEU CA C 57.799 0.300 1
233 28 28 LEU CB C 40.120 0.300 1
234 28 28 LEU CD1 C 26.349 0.300 2
235 28 28 LEU CD2 C 22.554 0.300 2
236 28 28 LEU CG C 27.598 0.300 1
237 28 28 LEU N N 124.977 0.300 1
238 29 29 ILE H H 7.959 0.030 1
239 29 29 ILE HA H 3.684 0.030 1
240 29 29 ILE HB H 1.713 0.030 1
241 29 29 ILE HD1 H 0.664 0.030 1
242 29 29 ILE HG12 H 1.452 0.030 2
243 29 29 ILE HG13 H 1.059 0.030 2
244 29 29 ILE HG2 H 0.871 0.030 1
245 29 29 ILE C C 178.358 0.300 1
246 29 29 ILE CA C 64.910 0.300 1
247 29 29 ILE CB C 37.665 0.300 1
248 29 29 ILE CD1 C 12.697 0.300 1
249 29 29 ILE CG1 C 28.683 0.300 1
250 29 29 ILE CG2 C 17.133 0.300 1
251 29 29 ILE N N 119.728 0.300 1
252 30 30 ARG H H 7.562 0.030 1
253 30 30 ARG HA H 3.920 0.030 1
254 30 30 ARG HB2 H 1.807 0.030 1
255 30 30 ARG HB3 H 1.807 0.030 1
256 30 30 ARG HD2 H 3.161 0.030 1
257 30 30 ARG HD3 H 3.161 0.030 1
258 30 30 ARG HG2 H 1.724 0.030 2
259 30 30 ARG HG3 H 1.549 0.030 2
260 30 30 ARG C C 178.084 0.300 1
261 30 30 ARG CA C 59.710 0.300 1
262 30 30 ARG CB C 30.200 0.300 1
263 30 30 ARG CD C 43.472 0.300 1
264 30 30 ARG CG C 27.861 0.300 1
265 30 30 ARG N N 119.127 0.300 1
266 31 31 HIS H H 7.669 0.030 1
267 31 31 HIS HA H 4.408 0.030 1
268 31 31 HIS HB2 H 3.383 0.030 2
269 31 31 HIS HB3 H 3.019 0.030 2
270 31 31 HIS HD2 H 7.170 0.030 1
271 31 31 HIS HE1 H 7.555 0.030 1
272 31 31 HIS C C 176.378 0.300 1
273 31 31 HIS CA C 59.782 0.300 1
274 31 31 HIS CB C 28.665 0.300 1
275 31 31 HIS CD2 C 127.348 0.300 1
276 31 31 HIS CE1 C 139.128 0.300 1
277 31 31 HIS N N 118.584 0.300 1
278 32 32 TRP H H 9.123 0.030 1
279 32 32 TRP HA H 3.989 0.030 1
280 32 32 TRP HB2 H 3.471 0.030 1
281 32 32 TRP HB3 H 3.471 0.030 1
282 32 32 TRP HD1 H 7.203 0.030 1
283 32 32 TRP HE1 H 10.135 0.030 1
284 32 32 TRP HE3 H 7.748 0.030 1
285 32 32 TRP HH2 H 7.167 0.030 1
286 32 32 TRP HZ2 H 7.462 0.030 1
287 32 32 TRP HZ3 H 7.025 0.030 1
288 32 32 TRP C C 178.084 0.300 1
289 32 32 TRP CA C 61.777 0.300 1
290 32 32 TRP CB C 28.860 0.300 1
291 32 32 TRP CD1 C 126.210 0.300 1
292 32 32 TRP CE3 C 120.494 0.300 1
293 32 32 TRP CH2 C 124.577 0.300 1
294 32 32 TRP CZ2 C 114.807 0.300 1
295 32 32 TRP CZ3 C 122.392 0.300 1
296 32 32 TRP N N 121.216 0.300 1
297 32 32 TRP NE1 N 129.870 0.300 1
298 33 33 ARG H H 8.175 0.030 1
299 33 33 ARG HA H 3.847 0.030 1
300 33 33 ARG HB2 H 1.825 0.030 2
301 33 33 ARG HB3 H 1.767 0.030 2
302 33 33 ARG HD2 H 3.047 0.030 1
303 33 33 ARG HD3 H 3.047 0.030 1
304 33 33 ARG HG2 H 1.467 0.030 2
305 33 33 ARG HG3 H 1.713 0.030 2
306 33 33 ARG C C 177.969 0.300 1
307 33 33 ARG CA C 58.506 0.300 1
308 33 33 ARG CB C 30.079 0.300 1
309 33 33 ARG CD C 43.450 0.300 1
310 33 33 ARG CG C 27.507 0.300 1
311 33 33 ARG N N 116.311 0.300 1
312 34 34 TYR H H 7.765 0.030 1
313 34 34 TYR HA H 4.098 0.030 1
314 34 34 TYR HB2 H 2.773 0.030 2
315 34 34 TYR HB3 H 2.547 0.030 2
316 34 34 TYR HD1 H 6.505 0.030 1
317 34 34 TYR HD2 H 6.505 0.030 1
318 34 34 TYR HE1 H 6.564 0.030 1
319 34 34 TYR HE2 H 6.564 0.030 1
320 34 34 TYR C C 177.157 0.300 1
321 34 34 TYR CA C 60.157 0.300 1
322 34 34 TYR CB C 38.905 0.300 1
323 34 34 TYR CD1 C 132.661 0.300 1
324 34 34 TYR CD2 C 132.661 0.300 1
325 34 34 TYR CE1 C 117.597 0.300 1
326 34 34 TYR CE2 C 117.597 0.300 1
327 34 34 TYR N N 116.136 0.300 1
328 35 35 TYR H H 8.060 0.030 1
329 35 35 TYR HA H 4.097 0.030 1
330 35 35 TYR HB2 H 2.011 0.030 2
331 35 35 TYR HB3 H 1.550 0.030 2
332 35 35 TYR HD1 H 6.966 0.030 1
333 35 35 TYR HD2 H 6.966 0.030 1
334 35 35 TYR HE1 H 6.883 0.030 1
335 35 35 TYR HE2 H 6.883 0.030 1
336 35 35 TYR C C 176.624 0.300 1
337 35 35 TYR CA C 60.256 0.300 1
338 35 35 TYR CB C 38.468 0.300 1
339 35 35 TYR CD1 C 133.235 0.300 1
340 35 35 TYR CD2 C 133.235 0.300 1
341 35 35 TYR CE1 C 118.192 0.300 1
342 35 35 TYR CE2 C 118.192 0.300 1
343 35 35 TYR N N 113.682 0.300 1
344 36 36 HIS H H 7.724 0.030 1
345 36 36 HIS HA H 4.952 0.030 1
346 36 36 HIS HB2 H 2.609 0.030 2
347 36 36 HIS HB3 H 1.921 0.030 2
348 36 36 HIS HD2 H 6.474 0.030 1
349 36 36 HIS HE1 H 7.903 0.030 1
350 36 36 HIS C C 174.243 0.300 1
351 36 36 HIS CA C 53.950 0.300 1
352 36 36 HIS CB C 28.240 0.300 1
353 36 36 HIS CD2 C 128.076 0.300 1
354 36 36 HIS CE1 C 138.831 0.300 1
355 36 36 HIS N N 115.419 0.300 1
356 37 37 THR H H 7.502 0.030 1
357 37 37 THR HA H 4.310 0.030 1
358 37 37 THR HB H 4.169 0.030 1
359 37 37 THR HG2 H 0.965 0.030 1
360 37 37 THR C C 174.748 0.300 1
361 37 37 THR CA C 61.692 0.300 1
362 37 37 THR CB C 70.177 0.300 1
363 37 37 THR CG2 C 21.701 0.300 1
364 37 37 THR N N 110.459 0.300 1
365 38 38 GLY H H 8.298 0.030 1
366 38 38 GLY HA2 H 3.883 0.030 2
367 38 38 GLY HA3 H 3.820 0.030 2
368 38 38 GLY C C 173.921 0.300 1
369 38 38 GLY CA C 45.127 0.300 1
370 38 38 GLY N N 110.732 0.300 1
371 39 39 GLU H H 8.119 0.030 1
372 39 39 GLU HA H 4.172 0.030 1
373 39 39 GLU HB2 H 1.787 0.030 2
374 39 39 GLU HB3 H 1.892 0.030 2
375 39 39 GLU HG2 H 2.168 0.030 2
376 39 39 GLU HG3 H 2.116 0.030 2
377 39 39 GLU C C 176.108 0.300 1
378 39 39 GLU CA C 56.200 0.300 1
379 39 39 GLU CB C 30.493 0.300 1
380 39 39 GLU CG C 36.196 0.300 1
381 39 39 GLU N N 120.612 0.300 1
382 40 40 LYS H H 8.317 0.030 1
383 40 40 LYS HA H 4.352 0.030 1
384 40 40 LYS HB2 H 1.662 0.030 2
385 40 40 LYS HB3 H 1.559 0.030 2
386 40 40 LYS HD2 H 1.559 0.030 1
387 40 40 LYS HD3 H 1.559 0.030 1
388 40 40 LYS HE2 H 2.869 0.030 1
389 40 40 LYS HE3 H 2.869 0.030 1
390 40 40 LYS HG2 H 1.297 0.030 1
391 40 40 LYS HG3 H 1.297 0.030 1
392 40 40 LYS C C 174.305 0.300 1
393 40 40 LYS CA C 53.971 0.300 1
394 40 40 LYS CB C 32.404 0.300 1
395 40 40 LYS CD C 29.023 0.300 1
396 40 40 LYS CE C 42.126 0.300 1
397 40 40 LYS CG C 24.258 0.300 1
398 40 40 LYS N N 123.657 0.300 1
399 41 41 PRO HA H 4.263 0.030 1
400 41 41 PRO HB2 H 2.113 0.030 2
401 41 41 PRO HB3 H 1.799 0.030 2
402 41 41 PRO HD2 H 3.613 0.030 2
403 41 41 PRO HD3 H 3.418 0.030 2
404 41 41 PRO HG2 H 1.863 0.030 2
405 41 41 PRO HG3 H 1.781 0.030 2
406 41 41 PRO CA C 63.035 0.300 1
407 41 41 PRO CB C 32.076 0.300 1
408 41 41 PRO CD C 50.575 0.300 1
409 41 41 PRO CG C 27.305 0.300 1
stop_
save_