data_6556
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of 1-26 fragment of human programmed cell death 5 protein
;
_BMRB_accession_number 6556
_BMRB_flat_file_name bmr6556.str
_Entry_type original
_Submission_date 2005-03-18
_Accession_date 2005-03-31
_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 Liu D. S. .
2 Feng Y. G. .
3 Yao H. W. .
4 Wang J. F. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 135
"13C chemical shifts" 43
"15N chemical shifts" 24
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2006-08-11 original author .
stop_
_Original_release_date 2006-08-11
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
The N-terminal 26-residue fragment of human programmed cell death 5 protein can
form a stable alpha-helix having unique electrostatic potential character
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16083422
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Liu D. S. .
2 Yao H. W. .
3 Chen Y. . .
4 Feng Y. G. .
5 Chen Y. . .
6 Wang J. F. .
stop_
_Journal_abbreviation 'Biochem. J.'
_Journal_volume 392
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 47
_Page_last 54
_Year 2005
_Details .
loop_
_Keyword
PDCD5(1-26)
'solution structure'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_PDCD5
_Saveframe_category molecular_system
_Mol_system_name 'Programmed cell death protein 5'
_Abbreviation_common 'Programmed cell death protein 5'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Programmed cell death protein 5' $PDCD5
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_PDCD5
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Programmed cell death protein 5'
_Abbreviation_common 'Programmed cell death protein 5'
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 27
_Mol_residue_sequence
;
GSADEELEALRRQRLAELQA
KHGDPGD
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 0 GLY 2 1 SER 3 2 ALA 4 3 ASP 5 4 GLU
6 5 GLU 7 6 LEU 8 7 GLU 9 8 ALA 10 9 LEU
11 10 ARG 12 11 ARG 13 12 GLN 14 13 ARG 15 14 LEU
16 15 ALA 17 16 GLU 18 17 LEU 19 18 GLN 20 19 ALA
21 20 LYS 22 21 HIS 23 22 GLY 24 23 ASP 25 24 PRO
26 25 GLY 27 26 ASP
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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
BMRB 15864 pdcd5 100.00 113 100.00 100.00 4.90e-09
PDB 1YYB "Solution Structure Of 1-26 Fragment Of Human Programmed Cell Death 5 Protein" 100.00 27 100.00 100.00 2.05e-08
PDB 2CRU "Solution Structure Of Programmed Cell Death 5" 66.67 118 100.00 100.00 2.72e-03
PDB 2K6B "Solution Structure Of 1-112 Fragment Of Human Programmed Cell Death 5 Protein" 100.00 113 100.00 100.00 4.90e-09
DBJ BAG56975 "unnamed protein product [Homo sapiens]" 92.59 129 100.00 100.00 2.87e-07
DBJ BAJ20402 "programmed cell death 5 [synthetic construct]" 92.59 125 100.00 100.00 1.76e-07
EMBL CAG33215 "PDCD5 [Homo sapiens]" 92.59 125 100.00 100.00 1.77e-07
EMBL CAH90780 "hypothetical protein [Pongo abelii]" 92.59 125 100.00 100.00 1.76e-07
GB AAD11579 "TFAR19 [Homo sapiens]" 92.59 125 100.00 100.00 1.76e-07
GB AAH15519 "Programmed cell death 5 [Homo sapiens]" 92.59 125 100.00 100.00 1.76e-07
GB AAP35340 "programmed cell death 5 [Homo sapiens]" 92.59 125 100.00 100.00 1.76e-07
GB AAP36696 "Homo sapiens programmed cell death 5 [synthetic construct]" 92.59 126 100.00 100.00 1.84e-07
GB AAX36432 "programmed cell death 5 [synthetic construct]" 92.59 125 100.00 100.00 1.76e-07
REF NP_001125439 "programmed cell death protein 5 [Pongo abelii]" 92.59 125 100.00 100.00 1.76e-07
REF NP_001252621 "programmed cell death protein 5 [Macaca mulatta]" 92.59 125 100.00 100.00 1.76e-07
REF NP_004699 "programmed cell death protein 5 [Homo sapiens]" 92.59 125 100.00 100.00 1.76e-07
REF XP_003253507 "PREDICTED: programmed cell death protein 5-like [Nomascus leucogenys]" 88.89 194 100.00 100.00 1.64e-06
REF XP_003275098 "PREDICTED: programmed cell death protein 5 [Nomascus leucogenys]" 92.59 125 100.00 100.00 1.76e-07
SP O14737 "RecName: Full=Programmed cell death protein 5; AltName: Full=TF-1 cell apoptosis-related protein 19; Short=Protein TFAR19 [Homo" 92.59 125 100.00 100.00 1.76e-07
SP Q5RBT0 "RecName: Full=Programmed cell death protein 5 [Pongo abelii]" 92.59 125 100.00 100.00 1.76e-07
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$PDCD5 Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$PDCD5 'recombinant technology' . . . . .
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
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$PDCD5 . mM 2 4 [U-15N]
'Phosphate buffer' 50 mM . . .
NaCl 200 mM . . .
DSS 0.02 mM . . .
NaN3 0.01 mM . . .
H2O 90 % . . .
D2O 10 % . . .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$PDCD5 2 mM [U-13C]
'Phosphate buffer' 50 mM .
NaCl 200 mM .
DSS 0.02 mM .
NaN3 0.01 mM .
D2O 100 % .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$PDCD5 . mM 2 4 .
'Phosphate buffer' 50 mM . . .
NaCl 200 mM . . .
DSS 0.02 mM . . .
NaN3 0.01 mM . . .
H2O 90 % . . .
D2O 10 % . . .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name XWINNMR
_Version 3.5
loop_
_Task
collection
stop_
_Details Bruker
save_
save_FELIX
_Saveframe_category software
_Name FELIX
_Version 98
loop_
_Task
'data analysis'
stop_
_Details MSI
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.1
loop_
_Task
'structure solution'
refinement
stop_
_Details Brunger
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DMX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N_NOESY-HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N NOESY-HSQC'
_Sample_label .
save_
save_3D_15N_TOCSY-HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N TOCSY-HSQC'
_Sample_label .
save_
save_2D_15N_HSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 15N HSQC'
_Sample_label .
save_
save_2D_13C_HMQC_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 13C HMQC'
_Sample_label .
save_
save_HMQC-NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HMQC-NOESY
_Sample_label .
save_
save_HMQC-TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HMQC-TOCSY
_Sample_label .
save_
save_2D_TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D TOCSY'
_Sample_label .
save_
save_2D_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N NOESY-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N TOCSY-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 13C HMQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HMQC-NOESY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HMQC-TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 . pH
temperature 298 . K
'ionic strength' 0.25 . M
pressure 1 . atm
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Saveframe_category chemical_shift_reference
_Details .
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 internal direct . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
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_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'Programmed cell death protein 5'
_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 . 2 SER HA H 4.476 0.02 1
2 . 2 SER HB2 H 4.021 0.02 2
3 . 2 SER HB3 H 3.934 0.02 2
4 . 2 SER CA C 58.903 0.5 1
5 . 2 SER CB C 63.840 0.5 1
6 . 3 ALA H H 8.777 0.02 1
7 . 3 ALA HA H 4.318 0.02 1
8 . 3 ALA HB H 1.455 0.02 1
9 . 3 ALA CA C 54.018 0.5 1
10 . 3 ALA CB C 18.549 0.5 1
11 . 3 ALA N N 125.641 0.3 1
12 . 4 ASP H H 8.209 0.02 1
13 . 4 ASP HA H 4.496 0.02 1
14 . 4 ASP HB2 H 2.645 0.02 2
15 . 4 ASP HB3 H 2.750 0.02 2
16 . 4 ASP CA C 56.004 0.5 1
17 . 4 ASP CB C 40.731 0.5 1
18 . 4 ASP N N 118.092 0.3 1
19 . 5 GLU H H 8.182 0.02 1
20 . 5 GLU HA H 4.128 0.02 1
21 . 5 GLU HB2 H 2.104 0.02 1
22 . 5 GLU HB3 H 2.104 0.02 1
23 . 5 GLU HG2 H 2.363 0.02 1
24 . 5 GLU HG3 H 2.363 0.02 1
25 . 5 GLU CA C 58.706 0.5 1
26 . 5 GLU CB C 29.555 0.5 1
27 . 5 GLU CG C 36.448 0.5 1
28 . 5 GLU N N 121.240 0.3 1
29 . 6 GLU H H 8.281 0.02 1
30 . 6 GLU HA H 4.176 0.02 1
31 . 6 GLU HB2 H 2.104 0.02 1
32 . 6 GLU HB3 H 2.104 0.02 1
33 . 6 GLU HG2 H 2.366 0.02 2
34 . 6 GLU HG3 H 2.262 0.02 2
35 . 6 GLU CA C 58.573 0.5 1
36 . 6 GLU N N 121.238 0.3 1
37 . 7 LEU H H 8.011 0.02 1
38 . 7 LEU HA H 4.197 0.02 1
39 . 7 LEU HB2 H 1.677 0.02 2
40 . 7 LEU HB3 H 1.852 0.02 2
41 . 7 LEU HD1 H 0.966 0.02 2
42 . 7 LEU CA C 57.573 0.5 1
43 . 7 LEU N N 121.169 0.3 1
44 . 8 GLU H H 8.145 0.02 1
45 . 8 GLU HA H 4.207 0.02 1
46 . 8 GLU HB2 H 2.069 0.02 1
47 . 8 GLU HB3 H 2.069 0.02 1
48 . 8 GLU HG2 H 2.352 0.02 1
49 . 8 GLU HG3 H 2.352 0.02 1
50 . 8 GLU CA C 58.658 0.5 1
51 . 8 GLU N N 120.643 0.3 1
52 . 9 ALA H H 8.063 0.02 1
53 . 9 ALA HA H 4.105 0.02 1
54 . 9 ALA HB H 1.518 0.02 1
55 . 9 ALA CA C 55.148 0.5 1
56 . 9 ALA CB C 17.880 0.5 1
57 . 9 ALA N N 122.218 0.3 1
58 . 10 LEU H H 7.891 0.02 1
59 . 10 LEU HA H 4.164 0.02 1
60 . 10 LEU HB2 H 1.713 0.02 2
61 . 10 LEU HB3 H 1.859 0.02 2
62 . 10 LEU HD1 H 0.942 0.02 2
63 . 10 LEU CA C 57.624 0.5 1
64 . 10 LEU N N 119.857 0.3 1
65 . 11 ARG H H 8.118 0.02 1
66 . 11 ARG HA H 4.012 0.02 1
67 . 11 ARG HB2 H 1.967 0.02 1
68 . 11 ARG HB3 H 1.967 0.02 1
69 . 11 ARG HG2 H 1.572 0.02 2
70 . 11 ARG HG3 H 1.791 0.02 2
71 . 11 ARG HD2 H 3.226 0.02 1
72 . 11 ARG HD3 H 3.226 0.02 1
73 . 11 ARG CA C 59.448 0.5 1
74 . 11 ARG N N 120.832 0.3 1
75 . 12 ARG H H 8.226 0.02 1
76 . 12 ARG HA H 4.029 0.02 1
77 . 12 ARG HB2 H 1.922 0.02 1
78 . 12 ARG HB3 H 1.922 0.02 1
79 . 12 ARG HG2 H 1.628 0.02 1
80 . 12 ARG HG3 H 1.628 0.02 1
81 . 12 ARG HD2 H 3.236 0.02 1
82 . 12 ARG HD3 H 3.236 0.02 1
83 . 12 ARG CA C 59.342 0.5 1
84 . 12 ARG N N 118.536 0.3 1
85 . 13 GLN H H 8.093 0.02 1
86 . 13 GLN HA H 4.158 0.02 1
87 . 13 GLN HB2 H 2.222 0.02 1
88 . 13 GLN HB3 H 2.222 0.02 1
89 . 13 GLN HG2 H 2.451 0.02 1
90 . 13 GLN HG3 H 2.451 0.02 1
91 . 13 GLN CA C 58.452 0.5 1
92 . 13 GLN N N 120.796 0.3 1
93 . 14 ARG H H 8.216 0.02 1
94 . 14 ARG HA H 4.180 0.02 1
95 . 14 ARG HB2 H 1.960 0.02 1
96 . 14 ARG HB3 H 1.960 0.02 1
97 . 14 ARG HG2 H 1.750 0.02 1
98 . 14 ARG HG3 H 1.750 0.02 1
99 . 14 ARG HD2 H 3.223 0.02 1
100 . 14 ARG HD3 H 3.223 0.02 1
101 . 14 ARG CA C 58.573 0.5 1
102 . 14 ARG N N 119.987 0.3 1
103 . 15 LEU H H 7.973 0.02 1
104 . 15 LEU HA H 4.182 0.02 1
105 . 15 LEU HB2 H 1.788 0.02 2
106 . 15 LEU HB3 H 1.644 0.02 2
107 . 15 LEU HD1 H 0.908 0.02 2
108 . 15 LEU CA C 56.845 0.5 1
109 . 15 LEU N N 120.046 0.3 1
110 . 16 ALA H H 7.935 0.02 1
111 . 16 ALA HA H 4.205 0.02 1
112 . 16 ALA HB H 1.516 0.02 1
113 . 16 ALA CA C 54.401 0.5 1
114 . 16 ALA CB C 18.090 0.5 1
115 . 16 ALA N N 122.150 0.3 1
116 . 17 GLU H H 8.045 0.02 1
117 . 17 GLU HA H 4.134 0.02 1
118 . 17 GLU HB2 H 2.136 0.02 1
119 . 17 GLU HB3 H 2.136 0.02 1
120 . 17 GLU HG2 H 2.470 0.02 2
121 . 17 GLU HG3 H 2.277 0.02 2
122 . 17 GLU CA C 58.273 0.5 1
123 . 17 GLU N N 118.925 0.3 1
124 . 18 LEU H H 7.909 0.02 1
125 . 18 LEU HA H 4.176 0.02 1
126 . 18 LEU HB2 H 1.831 0.02 2
127 . 18 LEU HB3 H 1.679 0.02 2
128 . 18 LEU HD1 H 0.909 0.02 2
129 . 18 LEU CA C 57.477 0.5 1
130 . 18 LEU N N 120.628 0.3 1
131 . 19 GLN H H 8.071 0.02 1
132 . 19 GLN HA H 4.182 0.02 1
133 . 19 GLN HB2 H 2.114 0.02 1
134 . 19 GLN HB3 H 2.114 0.02 1
135 . 19 GLN HG2 H 2.476 0.02 1
136 . 19 GLN HG3 H 2.476 0.02 1
137 . 19 GLN CA C 56.854 0.5 1
138 . 19 GLN N N 118.908 0.3 1
139 . 20 ALA H H 7.913 0.02 1
140 . 20 ALA HA H 4.250 0.02 1
141 . 20 ALA HB H 1.431 0.02 1
142 . 20 ALA CA C 53.094 0.5 1
143 . 20 ALA CB C 18.796 0.5 1
144 . 20 ALA N N 122.990 0.3 1
145 . 21 LYS H H 7.966 0.02 1
146 . 21 LYS HA H 4.251 0.02 1
147 . 21 LYS HB2 H 1.785 0.02 1
148 . 21 LYS HB3 H 1.785 0.02 1
149 . 21 LYS HG2 H 1.453 0.02 2
150 . 21 LYS HG3 H 1.377 0.02 2
151 . 21 LYS HD2 H 1.668 0.02 1
152 . 21 LYS HD3 H 1.668 0.02 1
153 . 21 LYS HE2 H 2.980 0.02 1
154 . 21 LYS HE3 H 2.980 0.02 1
155 . 21 LYS CA C 56.523 0.5 1
156 . 21 LYS CB C 32.820 0.5 1
157 . 21 LYS CG C 24.785 0.5 1
158 . 21 LYS CD C 28.971 0.5 1
159 . 21 LYS CE C 41.900 0.5 1
160 . 21 LYS N N 119.221 0.3 1
161 . 22 HIS H H 8.212 0.02 1
162 . 22 HIS HA H 4.659 0.02 1
163 . 22 HIS HB2 H 3.127 0.02 2
164 . 22 HIS HB3 H 3.233 0.02 2
165 . 22 HIS HE1 H 7.963 0.02 1
166 . 22 HIS CA C 56.154 0.5 1
167 . 22 HIS CB C 30.392 0.5 1
168 . 22 HIS N N 119.726 0.3 1
169 . 23 GLY H H 8.291 0.02 1
170 . 23 GLY HA2 H 3.948 0.02 1
171 . 23 GLY HA3 H 3.948 0.02 1
172 . 23 GLY CA C 44.932 0.5 1
173 . 23 GLY N N 109.967 0.3 1
174 . 24 ASP H H 8.321 0.02 1
175 . 24 ASP HA H 4.916 0.02 1
176 . 24 ASP HB2 H 2.546 0.02 2
177 . 24 ASP HB3 H 2.742 0.02 2
178 . 24 ASP CA C 52.428 0.5 1
179 . 24 ASP CB C 41.284 0.5 1
180 . 24 ASP N N 122.189 0.3 1
181 . 25 PRO HA H 4.440 0.02 1
182 . 25 PRO HB2 H 2.298 0.02 2
183 . 25 PRO HB3 H 2.026 0.02 2
184 . 25 PRO HG2 H 2.055 0.02 1
185 . 25 PRO HG3 H 2.055 0.02 1
186 . 25 PRO HD2 H 3.865 0.02 2
187 . 25 PRO HD3 H 3.784 0.02 2
188 . 25 PRO CA C 63.769 0.5 1
189 . 25 PRO CB C 32.154 0.5 1
190 . 25 PRO CG C 27.240 0.5 1
191 . 25 PRO CD C 50.754 0.5 1
192 . 26 GLY H H 8.490 0.02 1
193 . 26 GLY HA2 H 3.934 0.02 1
194 . 26 GLY HA3 H 3.934 0.02 1
195 . 26 GLY CA C 45.104 0.5 1
196 . 26 GLY N N 109.540 0.3 1
197 . 27 ASP H H 7.868 0.02 1
198 . 27 ASP HA H 4.404 0.02 1
199 . 27 ASP HB2 H 2.566 0.02 2
200 . 27 ASP HB3 H 2.675 0.02 2
201 . 27 ASP CA C 55.850 0.5 1
202 . 27 ASP N N 126.090 0.3 1
stop_
save_