data_10233
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the C2H2 type zinc finger (region 284-316) of human Zinc
finger protein 347
;
_BMRB_accession_number 10233
_BMRB_flat_file_name bmr10233.str
_Entry_type new
_Submission_date 2008-08-19
_Accession_date 2008-08-20
_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" 234
"13C chemical shifts" 174
"15N chemical shifts" 38
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-08-19 original author .
stop_
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 284-316) of human Zinc
finger protein 347
;
_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 347'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
zf-C2H2 $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
_Molecular_mass .
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 46
_Mol_residue_sequence
;
GSSGSSGTKEKPYKCYECGK
AFRTRSNLTTHQVIHTGEKR
SGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 THR 9 LYS 10 GLU
11 LYS 12 PRO 13 TYR 14 LYS 15 CYS
16 TYR 17 GLU 18 CYS 19 GLY 20 LYS
21 ALA 22 PHE 23 ARG 24 THR 25 ARG
26 SER 27 ASN 28 LEU 29 THR 30 THR
31 HIS 32 GLN 33 VAL 34 ILE 35 HIS
36 THR 37 GLY 38 GLU 39 LYS 40 ARG
41 SER 42 GLY 43 PRO 44 SER 45 SER
46 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-06-23
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 2EN4 "Solution Structure Of The C2h2 Type Zinc Finger (Region 284- 316) Of Human Zinc Finger Protein 347" 100.00 46 100.00 100.00 3.60e-23
stop_
save_
########################################
# Molecular bond linkage definitions #
########################################
save_crosslink_bonds
_Saveframe_category crosslink_bonds
loop_
_Bond_order
_Bond_type
_Atom_one_mol_system_component_name
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_atom_name
_Atom_two_mol_system_component_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_atom_name
single coordination zf-C2H2 15 CYS SG 'ZINC ION' . . ZN
single coordination zf-C2H2 18 CYS SG 'ZINC ION' . . ZN
single coordination zf-C2H2 31 HIS NE2 'ZINC ION' . . ZN
single coordination zf-C2H2 35 HIS NE2 'ZINC ION' . . ZN
stop_
loop_
_Deleted_atom_mol_system_component_name
_Deleted_atom_residue_seq_code
_Deleted_atom_residue_label
_Deleted_atom_name
zf-C2H2 15 CYS HG
zf-C2H2 18 CYS HG
zf-C2H2 31 HIS HE2
zf-C2H2 35 HIS HE2
stop_
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 P070115-08
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 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
'structure solution'
refinement
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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
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
_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 HA2 H 3.998 0.030 1
2 7 7 GLY HA3 H 3.998 0.030 1
3 7 7 GLY C C 174.369 0.300 1
4 7 7 GLY CA C 45.413 0.300 1
5 8 8 THR H H 8.058 0.030 1
6 8 8 THR HA H 4.332 0.030 1
7 8 8 THR HB H 4.245 0.030 1
8 8 8 THR HG2 H 1.169 0.030 1
9 8 8 THR C C 174.812 0.300 1
10 8 8 THR CA C 61.812 0.300 1
11 8 8 THR CB C 69.909 0.300 1
12 8 8 THR CG2 C 21.662 0.300 1
13 8 8 THR N N 113.853 0.300 1
14 9 9 LYS H H 8.368 0.030 1
15 9 9 LYS HA H 4.234 0.030 1
16 9 9 LYS HB2 H 1.796 0.030 2
17 9 9 LYS HB3 H 1.733 0.030 2
18 9 9 LYS HD2 H 1.666 0.030 1
19 9 9 LYS HD3 H 1.666 0.030 1
20 9 9 LYS HE2 H 2.990 0.030 1
21 9 9 LYS HE3 H 2.990 0.030 1
22 9 9 LYS HG2 H 1.440 0.030 2
23 9 9 LYS HG3 H 1.403 0.030 2
24 9 9 LYS C C 176.726 0.300 1
25 9 9 LYS CA C 56.616 0.300 1
26 9 9 LYS CB C 32.666 0.300 1
27 9 9 LYS CD C 29.016 0.300 1
28 9 9 LYS CE C 42.178 0.300 1
29 9 9 LYS CG C 24.742 0.300 1
30 9 9 LYS N N 122.996 0.300 1
31 10 10 GLU H H 8.247 0.030 1
32 10 10 GLU HA H 4.120 0.030 1
33 10 10 GLU HB2 H 1.969 0.030 2
34 10 10 GLU HB3 H 1.924 0.030 2
35 10 10 GLU HG2 H 2.251 0.030 1
36 10 10 GLU HG3 H 2.251 0.030 1
37 10 10 GLU C C 176.223 0.300 1
38 10 10 GLU CA C 57.320 0.300 1
39 10 10 GLU CB C 30.234 0.300 1
40 10 10 GLU CG C 36.366 0.300 1
41 10 10 GLU N N 120.550 0.300 1
42 11 11 LYS H H 8.016 0.030 1
43 11 11 LYS HA H 4.517 0.030 1
44 11 11 LYS HB2 H 1.318 0.030 2
45 11 11 LYS HB3 H 1.534 0.030 2
46 11 11 LYS HD2 H 1.470 0.030 1
47 11 11 LYS HD3 H 1.470 0.030 1
48 11 11 LYS HE2 H 2.873 0.030 1
49 11 11 LYS HE3 H 2.873 0.030 1
50 11 11 LYS HG2 H 1.300 0.030 2
51 11 11 LYS HG3 H 1.036 0.030 2
52 11 11 LYS C C 173.757 0.300 1
53 11 11 LYS CA C 53.783 0.300 1
54 11 11 LYS CB C 33.260 0.300 1
55 11 11 LYS CD C 29.659 0.300 1
56 11 11 LYS CE C 42.260 0.300 1
57 11 11 LYS CG C 25.265 0.300 1
58 11 11 LYS N N 119.846 0.300 1
59 12 12 PRO HA H 4.272 0.030 1
60 12 12 PRO HB2 H 2.030 0.030 2
61 12 12 PRO HB3 H 1.208 0.030 2
62 12 12 PRO HD2 H 3.704 0.030 2
63 12 12 PRO HD3 H 3.613 0.030 2
64 12 12 PRO HG2 H 1.815 0.030 2
65 12 12 PRO HG3 H 1.577 0.030 2
66 12 12 PRO C C 176.667 0.300 1
67 12 12 PRO CA C 63.412 0.300 1
68 12 12 PRO CB C 32.362 0.300 1
69 12 12 PRO CD C 50.161 0.300 1
70 12 12 PRO CG C 26.479 0.300 1
71 13 13 TYR H H 7.801 0.030 1
72 13 13 TYR HA H 4.578 0.030 1
73 13 13 TYR HB2 H 2.911 0.030 2
74 13 13 TYR HB3 H 2.742 0.030 2
75 13 13 TYR HD1 H 6.959 0.030 1
76 13 13 TYR HD2 H 6.959 0.030 1
77 13 13 TYR HE1 H 6.884 0.030 1
78 13 13 TYR HE2 H 6.884 0.030 1
79 13 13 TYR C C 174.321 0.300 1
80 13 13 TYR CA C 57.814 0.300 1
81 13 13 TYR CB C 38.437 0.300 1
82 13 13 TYR CD1 C 133.082 0.300 1
83 13 13 TYR CD2 C 133.082 0.300 1
84 13 13 TYR CE1 C 118.297 0.300 1
85 13 13 TYR CE2 C 118.297 0.300 1
86 13 13 TYR N N 118.297 0.300 1
87 14 14 LYS H H 8.450 0.030 1
88 14 14 LYS HA H 4.734 0.030 1
89 14 14 LYS HB2 H 1.489 0.030 1
90 14 14 LYS HB3 H 1.489 0.030 1
91 14 14 LYS HD2 H 1.469 0.030 1
92 14 14 LYS HD3 H 1.469 0.030 1
93 14 14 LYS HE2 H 2.780 0.030 1
94 14 14 LYS HE3 H 2.780 0.030 1
95 14 14 LYS HG2 H 1.012 0.030 2
96 14 14 LYS HG3 H 0.850 0.030 2
97 14 14 LYS C C 174.596 0.300 1
98 14 14 LYS CA C 55.254 0.300 1
99 14 14 LYS CB C 35.279 0.300 1
100 14 14 LYS CD C 29.380 0.300 1
101 14 14 LYS CE C 42.028 0.300 1
102 14 14 LYS CG C 24.900 0.300 1
103 14 14 LYS N N 125.533 0.300 1
104 15 15 CYS H H 9.186 0.030 1
105 15 15 CYS HA H 4.563 0.030 1
106 15 15 CYS HB2 H 2.817 0.030 2
107 15 15 CYS HB3 H 3.422 0.030 2
108 15 15 CYS C C 176.896 0.300 1
109 15 15 CYS CA C 58.735 0.300 1
110 15 15 CYS CB C 29.404 0.300 1
111 15 15 CYS N N 126.149 0.300 1
112 16 16 TYR H H 9.138 0.030 1
113 16 16 TYR HA H 4.325 0.030 1
114 16 16 TYR HB2 H 3.176 0.030 2
115 16 16 TYR HB3 H 3.071 0.030 2
116 16 16 TYR HD1 H 7.235 0.030 1
117 16 16 TYR HD2 H 7.235 0.030 1
118 16 16 TYR HE1 H 6.888 0.030 1
119 16 16 TYR HE2 H 6.888 0.030 1
120 16 16 TYR C C 176.155 0.300 1
121 16 16 TYR CA C 60.508 0.300 1
122 16 16 TYR CB C 37.564 0.300 1
123 16 16 TYR CD1 C 133.075 0.300 1
124 16 16 TYR CD2 C 133.075 0.300 1
125 16 16 TYR CE1 C 118.405 0.300 1
126 16 16 TYR CE2 C 118.405 0.300 1
127 16 16 TYR N N 130.571 0.300 1
128 17 17 GLU H H 8.405 0.030 1
129 17 17 GLU HA H 4.138 0.030 1
130 17 17 GLU HB2 H 1.335 0.030 2
131 17 17 GLU HB3 H 1.258 0.030 2
132 17 17 GLU HG2 H 1.750 0.030 2
133 17 17 GLU HG3 H 1.866 0.030 2
134 17 17 GLU C C 177.140 0.300 1
135 17 17 GLU CA C 58.636 0.300 1
136 17 17 GLU CB C 29.210 0.300 1
137 17 17 GLU CG C 35.743 0.300 1
138 17 17 GLU N N 120.856 0.300 1
139 18 18 CYS H H 7.766 0.030 1
140 18 18 CYS HA H 5.158 0.030 1
141 18 18 CYS HB2 H 2.874 0.030 2
142 18 18 CYS HB3 H 3.431 0.030 2
143 18 18 CYS C C 176.122 0.300 1
144 18 18 CYS CA C 58.203 0.300 1
145 18 18 CYS CB C 32.419 0.300 1
146 18 18 CYS N N 113.779 0.300 1
147 19 19 GLY H H 8.233 0.030 1
148 19 19 GLY HA2 H 3.693 0.030 2
149 19 19 GLY HA3 H 4.262 0.030 2
150 19 19 GLY C C 173.845 0.300 1
151 19 19 GLY CA C 46.274 0.300 1
152 19 19 GLY N N 113.979 0.300 1
153 20 20 LYS H H 7.886 0.030 1
154 20 20 LYS HA H 3.959 0.030 1
155 20 20 LYS HB2 H 1.369 0.030 2
156 20 20 LYS HB3 H 1.251 0.030 2
157 20 20 LYS HD2 H 1.515 0.030 1
158 20 20 LYS HD3 H 1.515 0.030 1
159 20 20 LYS HE2 H 2.980 0.030 1
160 20 20 LYS HE3 H 2.980 0.030 1
161 20 20 LYS HG2 H 1.144 0.030 2
162 20 20 LYS HG3 H 1.501 0.030 2
163 20 20 LYS C C 173.244 0.300 1
164 20 20 LYS CA C 58.013 0.300 1
165 20 20 LYS CB C 33.996 0.300 1
166 20 20 LYS CD C 29.389 0.300 1
167 20 20 LYS CE C 42.252 0.300 1
168 20 20 LYS CG C 26.506 0.300 1
169 20 20 LYS N N 122.721 0.300 1
170 21 21 ALA H H 7.714 0.030 1
171 21 21 ALA HA H 5.064 0.030 1
172 21 21 ALA HB H 1.170 0.030 1
173 21 21 ALA C C 175.915 0.300 1
174 21 21 ALA CA C 50.272 0.300 1
175 21 21 ALA CB C 22.367 0.300 1
176 21 21 ALA N N 122.778 0.300 1
177 22 22 PHE H H 8.686 0.030 1
178 22 22 PHE HA H 4.724 0.030 1
179 22 22 PHE HB2 H 2.746 0.030 2
180 22 22 PHE HB3 H 3.393 0.030 2
181 22 22 PHE HD1 H 7.295 0.030 1
182 22 22 PHE HD2 H 7.295 0.030 1
183 22 22 PHE HE1 H 6.810 0.030 1
184 22 22 PHE HE2 H 6.810 0.030 1
185 22 22 PHE HZ H 6.065 0.030 1
186 22 22 PHE C C 175.341 0.300 1
187 22 22 PHE CA C 57.367 0.300 1
188 22 22 PHE CB C 43.930 0.300 1
189 22 22 PHE CD1 C 132.143 0.300 1
190 22 22 PHE CD2 C 132.143 0.300 1
191 22 22 PHE CE1 C 130.721 0.300 1
192 22 22 PHE CE2 C 130.721 0.300 1
193 22 22 PHE CZ C 128.824 0.300 1
194 22 22 PHE N N 116.150 0.300 1
195 23 23 ARG H H 9.607 0.030 1
196 23 23 ARG HA H 4.514 0.030 1
197 23 23 ARG HB2 H 2.134 0.030 2
198 23 23 ARG HB3 H 2.053 0.030 2
199 23 23 ARG HD2 H 3.360 0.030 2
200 23 23 ARG HD3 H 3.315 0.030 2
201 23 23 ARG HG2 H 1.924 0.030 2
202 23 23 ARG HG3 H 1.869 0.030 2
203 23 23 ARG C C 176.305 0.300 1
204 23 23 ARG CA C 58.710 0.300 1
205 23 23 ARG CB C 32.010 0.300 1
206 23 23 ARG CD C 43.312 0.300 1
207 23 23 ARG CG C 28.496 0.300 1
208 23 23 ARG N N 120.730 0.300 1
209 24 24 THR H H 7.231 0.030 1
210 24 24 THR HA H 4.787 0.030 1
211 24 24 THR HB H 4.469 0.030 1
212 24 24 THR HG2 H 1.202 0.030 1
213 24 24 THR C C 173.868 0.300 1
214 24 24 THR CA C 58.268 0.300 1
215 24 24 THR CB C 72.469 0.300 1
216 24 24 THR CG2 C 21.711 0.300 1
217 24 24 THR N N 103.056 0.300 1
218 25 25 ARG H H 8.333 0.030 1
219 25 25 ARG HA H 4.787 0.030 1
220 25 25 ARG HB2 H 1.555 0.030 2
221 25 25 ARG HB3 H 1.274 0.030 2
222 25 25 ARG HD2 H 3.135 0.030 2
223 25 25 ARG HD3 H 3.074 0.030 2
224 25 25 ARG HG2 H 1.376 0.030 2
225 25 25 ARG HG3 H 1.296 0.030 2
226 25 25 ARG C C 178.700 0.300 1
227 25 25 ARG CA C 58.670 0.300 1
228 25 25 ARG CB C 29.210 0.300 1
229 25 25 ARG CD C 43.034 0.300 1
230 25 25 ARG CG C 27.355 0.300 1
231 25 25 ARG N N 123.788 0.300 1
232 26 26 SER HA H 4.136 0.030 1
233 26 26 SER HB2 H 3.837 0.030 2
234 26 26 SER HB3 H 3.780 0.030 2
235 26 26 SER C C 176.659 0.300 1
236 26 26 SER CA C 61.194 0.300 1
237 26 26 SER CB C 62.241 0.300 1
238 26 26 SER N N 116.000 0.300 1
239 27 27 ASN H H 7.748 0.030 1
240 27 27 ASN HA H 4.390 0.030 1
241 27 27 ASN HB2 H 2.974 0.030 2
242 27 27 ASN HB3 H 2.892 0.030 2
243 27 27 ASN HD21 H 7.289 0.030 2
244 27 27 ASN HD22 H 7.055 0.030 2
245 27 27 ASN C C 177.533 0.300 1
246 27 27 ASN CA C 55.425 0.300 1
247 27 27 ASN CB C 38.124 0.300 1
248 27 27 ASN N N 120.092 0.300 1
249 28 28 LEU H H 7.264 0.030 1
250 28 28 LEU HA H 3.261 0.030 1
251 28 28 LEU HB2 H 2.069 0.030 2
252 28 28 LEU HB3 H 1.292 0.030 2
253 28 28 LEU HD1 H 0.977 0.030 1
254 28 28 LEU HD2 H 1.002 0.030 1
255 28 28 LEU HG H 1.466 0.030 1
256 28 28 LEU C C 177.429 0.300 1
257 28 28 LEU CA C 58.283 0.300 1
258 28 28 LEU CB C 40.483 0.300 1
259 28 28 LEU CD1 C 23.167 0.300 2
260 28 28 LEU CD2 C 26.668 0.300 2
261 28 28 LEU CG C 27.544 0.300 1
262 28 28 LEU N N 122.398 0.300 1
263 29 29 THR H H 8.649 0.030 1
264 29 29 THR HA H 3.970 0.030 1
265 29 29 THR HB H 4.240 0.030 1
266 29 29 THR HG2 H 1.198 0.030 1
267 29 29 THR C C 177.377 0.300 1
268 29 29 THR CA C 66.593 0.300 1
269 29 29 THR CB C 68.457 0.300 1
270 29 29 THR CG2 C 21.713 0.300 1
271 29 29 THR N N 116.386 0.300 1
272 30 30 THR H H 8.106 0.030 1
273 30 30 THR HA H 3.910 0.030 1
274 30 30 THR HB H 4.076 0.030 1
275 30 30 THR HG2 H 1.204 0.030 1
276 30 30 THR C C 176.144 0.300 1
277 30 30 THR CA C 66.260 0.300 1
278 30 30 THR CB C 68.792 0.300 1
279 30 30 THR CG2 C 21.913 0.300 1
280 30 30 THR N N 117.533 0.300 1
281 31 31 HIS H H 7.341 0.030 1
282 31 31 HIS HA H 4.205 0.030 1
283 31 31 HIS HB2 H 2.727 0.030 2
284 31 31 HIS HB3 H 3.085 0.030 2
285 31 31 HIS HD2 H 6.822 0.030 1
286 31 31 HIS HE1 H 8.056 0.030 1
287 31 31 HIS C C 176.196 0.300 1
288 31 31 HIS CA C 58.919 0.300 1
289 31 31 HIS CB C 28.268 0.300 1
290 31 31 HIS CD2 C 127.218 0.300 1
291 31 31 HIS CE1 C 139.639 0.300 1
292 31 31 HIS N N 120.815 0.300 1
293 32 32 GLN H H 8.186 0.030 1
294 32 32 GLN HA H 3.562 0.030 1
295 32 32 GLN HB2 H 2.330 0.030 2
296 32 32 GLN HB3 H 2.252 0.030 2
297 32 32 GLN HE21 H 7.764 0.030 2
298 32 32 GLN HE22 H 7.057 0.030 2
299 32 32 GLN HG2 H 2.887 0.030 2
300 32 32 GLN HG3 H 2.826 0.030 2
301 32 32 GLN C C 177.032 0.300 1
302 32 32 GLN CA C 59.582 0.300 1
303 32 32 GLN CB C 28.457 0.300 1
304 32 32 GLN CG C 35.678 0.300 1
305 32 32 GLN N N 114.261 0.300 1
306 32 32 GLN NE2 N 112.839 0.300 1
307 33 33 VAL H H 6.965 0.030 1
308 33 33 VAL HA H 3.868 0.030 1
309 33 33 VAL HB H 2.095 0.030 1
310 33 33 VAL HG1 H 1.033 0.030 1
311 33 33 VAL HG2 H 0.946 0.030 1
312 33 33 VAL C C 178.168 0.300 1
313 33 33 VAL CA C 64.658 0.300 1
314 33 33 VAL CB C 31.715 0.300 1
315 33 33 VAL CG1 C 21.306 0.300 2
316 33 33 VAL CG2 C 21.046 0.300 2
317 33 33 VAL N N 117.665 0.300 1
318 34 34 ILE H H 7.621 0.030 1
319 34 34 ILE HA H 3.941 0.030 1
320 34 34 ILE HB H 1.664 0.030 1
321 34 34 ILE HD1 H 0.700 0.030 1
322 34 34 ILE HG12 H 0.900 0.030 2
323 34 34 ILE HG13 H 0.698 0.030 2
324 34 34 ILE HG2 H 0.533 0.030 1
325 34 34 ILE C C 177.076 0.300 1
326 34 34 ILE CA C 63.207 0.300 1
327 34 34 ILE CB C 37.688 0.300 1
328 34 34 ILE CD1 C 14.433 0.300 1
329 34 34 ILE CG1 C 26.607 0.300 1
330 34 34 ILE CG2 C 16.421 0.300 1
331 34 34 ILE N N 117.372 0.300 1
332 35 35 HIS H H 7.253 0.030 1
333 35 35 HIS HA H 4.908 0.030 1
334 35 35 HIS HB2 H 3.367 0.030 2
335 35 35 HIS HB3 H 3.198 0.030 2
336 35 35 HIS HD2 H 6.730 0.030 1
337 35 35 HIS HE1 H 8.054 0.030 1
338 35 35 HIS C C 175.795 0.300 1
339 35 35 HIS CA C 54.926 0.300 1
340 35 35 HIS CB C 28.529 0.300 1
341 35 35 HIS CD2 C 127.610 0.300 1
342 35 35 HIS CE1 C 140.055 0.300 1
343 35 35 HIS N N 117.505 0.300 1
344 36 36 THR H H 7.827 0.030 1
345 36 36 THR HA H 4.331 0.030 1
346 36 36 THR HB H 4.329 0.030 1
347 36 36 THR HG2 H 1.262 0.030 1
348 36 36 THR C C 175.532 0.300 1
349 36 36 THR CA C 63.020 0.300 1
350 36 36 THR CB C 69.891 0.300 1
351 36 36 THR CG2 C 21.616 0.300 1
352 36 36 THR N N 112.717 0.300 1
353 37 37 GLY H H 8.358 0.030 1
354 37 37 GLY HA2 H 4.010 0.030 1
355 37 37 GLY HA3 H 4.010 0.030 1
356 37 37 GLY C C 174.222 0.300 1
357 37 37 GLY CA C 45.394 0.300 1
358 37 37 GLY N N 110.814 0.300 1
359 38 38 GLU H H 8.119 0.030 1
360 38 38 GLU HA H 4.233 0.030 1
361 38 38 GLU HB2 H 2.018 0.030 2
362 38 38 GLU HB3 H 1.983 0.030 2
363 38 38 GLU HG2 H 2.291 0.030 2
364 38 38 GLU HG3 H 2.234 0.030 2
365 38 38 GLU C C 176.521 0.300 1
366 38 38 GLU CA C 56.698 0.300 1
367 38 38 GLU CB C 30.459 0.300 1
368 38 38 GLU CG C 36.288 0.300 1
369 38 38 GLU N N 120.653 0.300 1
370 39 39 LYS H H 8.372 0.030 1
371 39 39 LYS HA H 4.325 0.030 1
372 39 39 LYS HB2 H 1.842 0.030 1
373 39 39 LYS HB3 H 1.842 0.030 1
374 39 39 LYS HD2 H 1.668 0.030 1
375 39 39 LYS HD3 H 1.668 0.030 1
376 39 39 LYS HE2 H 2.981 0.030 1
377 39 39 LYS HE3 H 2.981 0.030 1
378 39 39 LYS HG2 H 1.458 0.030 1
379 39 39 LYS HG3 H 1.458 0.030 1
380 39 39 LYS C C 176.520 0.300 1
381 39 39 LYS CA C 56.254 0.300 1
382 39 39 LYS CB C 32.719 0.300 1
383 39 39 LYS CD C 29.023 0.300 1
384 39 39 LYS CE C 42.165 0.300 1
385 39 39 LYS CG C 24.759 0.300 1
386 39 39 LYS N N 122.536 0.300 1
387 40 40 ARG H H 8.435 0.030 1
388 40 40 ARG HA H 4.407 0.030 1
389 40 40 ARG HB2 H 1.875 0.030 2
390 40 40 ARG HB3 H 1.775 0.030 2
391 40 40 ARG HD2 H 3.194 0.030 1
392 40 40 ARG HD3 H 3.194 0.030 1
393 40 40 ARG HG2 H 1.638 0.030 1
394 40 40 ARG HG3 H 1.638 0.030 1
395 40 40 ARG C C 176.290 0.300 1
396 40 40 ARG CA C 56.011 0.300 1
397 40 40 ARG CB C 30.978 0.300 1
398 40 40 ARG CD C 43.322 0.300 1
399 40 40 ARG CG C 27.050 0.300 1
400 40 40 ARG N N 122.912 0.300 1
401 41 41 SER H H 8.428 0.030 1
402 41 41 SER HA H 4.507 0.030 1
403 41 41 SER HB2 H 3.877 0.030 1
404 41 41 SER HB3 H 3.877 0.030 1
405 41 41 SER C C 174.450 0.300 1
406 41 41 SER CA C 58.208 0.300 1
407 41 41 SER CB C 64.046 0.300 1
408 41 41 SER N N 117.335 0.300 1
409 42 42 GLY H H 8.265 0.030 1
410 42 42 GLY HA2 H 4.149 0.030 2
411 42 42 GLY HA3 H 4.115 0.030 2
412 42 42 GLY C C 171.715 0.300 1
413 42 42 GLY CA C 44.661 0.300 1
414 42 42 GLY N N 110.713 0.300 1
415 43 43 PRO HA H 4.476 0.030 1
416 43 43 PRO HB2 H 1.977 0.030 2
417 43 43 PRO HB3 H 2.299 0.030 2
418 43 43 PRO HD2 H 3.626 0.030 1
419 43 43 PRO HD3 H 3.626 0.030 1
420 43 43 PRO HG2 H 2.016 0.030 1
421 43 43 PRO HG3 H 2.016 0.030 1
422 43 43 PRO C C 177.405 0.300 1
423 43 43 PRO CA C 63.215 0.300 1
424 43 43 PRO CB C 32.224 0.300 1
425 43 43 PRO CD C 49.782 0.300 1
426 43 43 PRO CG C 27.125 0.300 1
427 44 44 SER H H 8.543 0.030 1
428 44 44 SER HA H 4.507 0.030 1
429 44 44 SER HB2 H 3.877 0.030 1
430 44 44 SER HB3 H 3.877 0.030 1
431 44 44 SER C C 174.588 0.300 1
432 44 44 SER CA C 58.352 0.300 1
433 44 44 SER CB C 63.989 0.300 1
434 44 44 SER N N 116.402 0.300 1
435 45 45 SER H H 8.318 0.030 1
436 45 45 SER HA H 4.508 0.030 1
437 45 45 SER HB2 H 3.874 0.030 1
438 45 45 SER HB3 H 3.874 0.030 1
439 45 45 SER C C 173.887 0.300 1
440 45 45 SER CA C 58.286 0.300 1
441 45 45 SER CB C 64.037 0.300 1
442 45 45 SER N N 117.792 0.300 1
443 46 46 GLY H H 8.052 0.030 1
444 46 46 GLY C C 178.959 0.300 1
445 46 46 GLY CA C 46.184 0.300 1
446 46 46 GLY N N 116.843 0.300 1
stop_
save_