data_5360
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
PsaE sub-unit of the photosystem I of the cyanobacterium Synechocystis sp. PCC
6803
;
_BMRB_accession_number 5360
_BMRB_flat_file_name bmr5360.str
_Entry_type original
_Submission_date 2002-05-03
_Accession_date 2002-05-03
_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 Barth P. . .
2 Savarin P. . .
3 Gilquin B. . .
4 Lagoutte B. . .
5 Ochsenbein F. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 417
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2003-02-25 original author .
stop_
_Original_release_date 2003-02-25
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution NMR Structure and Backbone Dynamics of the PsaE Subunit of the
Photosystem I from Synechocystis sp. PCC 6803
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 22325495
_PubMed_ID 12437347
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Barth Patrick . .
2 Savarin Philippe . .
3 Gilquin Bernard . .
4 Lagoutte Bernard . .
5 Ochsenbein Francoise . .
stop_
_Journal_abbreviation Biochemistry
_Journal_volume 41
_Journal_issue 47
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 13902
_Page_last 13914
_Year 2002
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_PsaE
_Saveframe_category molecular_system
_Mol_system_name 'Photosystem I reaction center subunit E'
_Abbreviation_common PsaE
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'PsaE monomer' $PsaE
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_PsaE
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Photosystem I reaction center subunit E'
_Abbreviation_common PsaE
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 73
_Mol_residue_sequence
;
ALNRGDKVRIKRTESYWYGD
VGTVASVEKSGILYPVIVRF
DRVNYNGFSGSASGVNTNNF
AENELELVQAAAK
;
loop_
_Residue_seq_code
_Residue_label
1 ALA 2 LEU 3 ASN 4 ARG 5 GLY
6 ASP 7 LYS 8 VAL 9 ARG 10 ILE
11 LYS 12 ARG 13 THR 14 GLU 15 SER
16 TYR 17 TRP 18 TYR 19 GLY 20 ASP
21 VAL 22 GLY 23 THR 24 VAL 25 ALA
26 SER 27 VAL 28 GLU 29 LYS 30 SER
31 GLY 32 ILE 33 LEU 34 TYR 35 PRO
36 VAL 37 ILE 38 VAL 39 ARG 40 PHE
41 ASP 42 ARG 43 VAL 44 ASN 45 TYR
46 ASN 47 GLY 48 PHE 49 SER 50 GLY
51 SER 52 ALA 53 SER 54 GLY 55 VAL
56 ASN 57 THR 58 ASN 59 ASN 60 PHE
61 ALA 62 GLU 63 ASN 64 GLU 65 LEU
66 GLU 67 LEU 68 VAL 69 GLN 70 ALA
71 ALA 72 ALA 73 LYS
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
PDB 1GXI "Psae Sub-Unit Of The Photosystem I Of The Cyanobacterium Synechocystis Sp. Pcc 6803" 100.00 73 100.00 100.00 9.05e-44
PDB 4KT0 "Crystal Structure Of A Virus Like Photosystem I From The Cyanobacterium Synechocystis Pcc 6803" 100.00 74 100.00 100.00 6.09e-44
PDB 4L6V "Crystal Structure Of A Virus Like Photosystem I From The Cyanobacterium Synechocystis Pcc 6803" 100.00 74 100.00 100.00 6.09e-44
DBJ BAA18383 "photosystem I subunit IV [Synechocystis sp. PCC 6803]" 100.00 74 100.00 100.00 6.09e-44
DBJ BAK50556 "photosystem I subunit IV [Synechocystis sp. PCC 6803]" 100.00 74 100.00 100.00 6.09e-44
DBJ BAL29555 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. GT-I]" 100.00 74 100.00 100.00 6.09e-44
DBJ BAL32724 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-N]" 100.00 74 100.00 100.00 6.09e-44
DBJ BAL35893 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-P]" 100.00 74 100.00 100.00 6.09e-44
GB AAA88629 "photosystem I subunit III [Synechocystis sp.]" 100.00 74 98.63 98.63 5.42e-43
GB AAB26646 "photosystem I subunit E, PSI-E [Synechocystis]" 84.93 62 100.00 100.00 1.42e-35
GB AGF52071 "photosystem I subunit IV [Synechocystis sp. PCC 6803]" 100.00 74 100.00 100.00 6.09e-44
GB AIE74398 "photosystem I subunit IV (PsaE) [Synechocystis sp. PCC 6714]" 100.00 74 98.63 100.00 3.11e-43
REF NP_441703 "photosystem I reaction center subunit IV [Synechocystis sp. PCC 6803]" 100.00 74 100.00 100.00 6.09e-44
REF WP_010873003 "photosystem I reaction center subunit IV [Synechocystis sp. PCC 6803]" 100.00 74 100.00 100.00 6.09e-44
REF YP_005383570 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. GT-I]" 100.00 74 100.00 100.00 6.09e-44
REF YP_005386739 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-P]" 100.00 74 100.00 100.00 6.09e-44
REF YP_005409446 "photosystem I subunit IV [Synechocystis sp. PCC 6803 substr. PCC-N]" 100.00 74 100.00 100.00 6.09e-44
SP P12975 "RecName: Full=Photosystem I reaction center subunit IV; AltName: Full=Photosystem I 8.1 kDa protein; AltName: Full=p30 protein " 100.00 74 100.00 100.00 6.09e-44
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
$PsaE . 1148 Eubacteria . Synechocystis sp 'PCC 6803'
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
$PsaE '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
_Isotopic_labeling
$PsaE 0.5 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
save_NMR_spectrometer2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
save_NMR_spectrometer3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC
_Sample_label .
save_
save_HMQC-COSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HMQC-COSY
_Sample_label .
save_
save_TOCSY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name TOCSY
_Sample_label .
save_
save_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY
_Sample_label .
save_
save_NOESY-HSQC_5
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY-HSQC
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HSQC
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HMQC-COSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY-HSQC
_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 5.3 0.2 n/a
temperature 293 1 K
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
TSP H 1 'methyl protons' ppm 0.00 internal direct cylindrical internal parallel_to_Bo
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_chem_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
HSQC
HMQC-COSY
TOCSY
NOESY
NOESY-HSQC
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'PsaE monomer'
_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 . 1 ALA HA H 4.18 0.005 .
2 . 1 ALA HB H 1.49 0.005 .
3 . 2 LEU H H 8.60 0.005 .
4 . 2 LEU HA H 4.51 0.005 .
5 . 2 LEU HB2 H 1.64 0.005 .
6 . 2 LEU HB3 H 1.54 0.005 .
7 . 2 LEU HG H 1.22 0.005 .
8 . 2 LEU HD1 H 0.83 0.005 .
9 . 2 LEU HD2 H 0.7 0.005 .
10 . 3 ASN H H 9.07 0.005 .
11 . 3 ASN HA H 4.84 0.005 .
12 . 3 ASN HB2 H 2.58 0.005 .
13 . 3 ASN HB3 H 2.54 0.005 .
14 . 3 ASN HD21 H 6.95 0.005 .
15 . 3 ASN HD22 H 8.09 0.005 .
16 . 4 ARG H H 8.53 0.005 .
17 . 4 ARG HA H 3.52 0.005 .
18 . 4 ARG HB2 H 1.65 0.005 .
19 . 4 ARG HB3 H 1.60 0.005 .
20 . 4 ARG HG2 H 1.36 0.005 .
21 . 4 ARG HG3 H 1.36 0.005 .
22 . 4 ARG HD2 H 3.22 0.005 .
23 . 4 ARG HD3 H 3.18 0.005 .
24 . 5 GLY H H 9.16 0.005 .
25 . 5 GLY HA2 H 4.42 0.005 .
26 . 5 GLY HA3 H 3.34 0.005 .
27 . 6 ASP H H 8.14 0.005 .
28 . 6 ASP HA H 4.51 0.005 .
29 . 6 ASP HB2 H 2.66 0.005 .
30 . 6 ASP HB3 H 2.26 0.005 .
31 . 7 LYS H H 8.85 0.005 .
32 . 7 LYS HA H 5.28 0.005 .
33 . 7 LYS HB2 H 1.8 0.005 .
34 . 7 LYS HB3 H 1.44 0.005 .
35 . 7 LYS HG2 H 1.36 0.005 .
36 . 7 LYS HG3 H 1.36 0.005 .
37 . 7 LYS HD2 H 1.55 0.005 .
38 . 7 LYS HD3 H 1.50 0.005 .
39 . 7 LYS HE2 H 2.82 0.005 .
40 . 7 LYS HE3 H 2.82 0.005 .
41 . 8 VAL H H 8.80 0.005 .
42 . 8 VAL HA H 5.27 0.005 .
43 . 8 VAL HB H 1.67 0.005 .
44 . 8 VAL HG1 H 0.61 0.005 .
45 . 8 VAL HG2 H 0.46 0.005 .
46 . 9 ARG H H 9.56 0.005 .
47 . 9 ARG HA H 5.22 0.005 .
48 . 9 ARG HB2 H 1.64 0.005 .
49 . 9 ARG HB3 H 1.60 0.005 .
50 . 9 ARG HG2 H 1.10 0.005 .
51 . 9 ARG HG3 H 1.20 0.005 .
52 . 9 ARG HD2 H 3.00 0.005 .
53 . 9 ARG HD3 H 3.10 0.005 .
54 . 10 ILE H H 8.10 0.005 .
55 . 10 ILE HA H 3.82 0.005 .
56 . 10 ILE HB H 2.58 0.005 .
57 . 10 ILE HG12 H 1.02 0.005 .
58 . 10 ILE HG13 H 1.78 0.005 .
59 . 10 ILE HG2 H 0.97 0.005 .
60 . 11 LYS H H 8.95 0.005 .
61 . 11 LYS HA H 4.60 0.005 .
62 . 11 LYS HB2 H 2.08 0.005 .
63 . 11 LYS HB3 H 1.55 0.005 .
64 . 11 LYS HG2 H 1.30 0.005 .
65 . 11 LYS HG3 H 1.30 0.005 .
66 . 11 LYS HD2 H 1.50 0.005 .
67 . 11 LYS HD3 H 1.50 0.005 .
68 . 11 LYS HE2 H 2.94 0.005 .
69 . 11 LYS HE3 H 2.79 0.005 .
70 . 12 ARG H H 6.62 0.005 .
71 . 12 ARG HA H 4.64 0.005 .
72 . 12 ARG HB2 H 1.84 0.005 .
73 . 12 ARG HB3 H 1.54 0.005 .
74 . 12 ARG HG2 H 2.13 0.005 .
75 . 12 ARG HG3 H 2.01 0.005 .
76 . 12 ARG HD2 H 3.06 0.005 .
77 . 12 ARG HD3 H 3.45 0.005 .
78 . 13 THR H H 8.52 0.005 .
79 . 13 THR HA H 3.76 0.005 .
80 . 13 THR HB H 2.91 0.005 .
81 . 13 THR HG2 H 0.91 0.005 .
82 . 14 GLU H H 8.65 0.005 .
83 . 14 GLU HA H 4.18 0.005 .
84 . 14 GLU HB2 H 1.97 0.005 .
85 . 14 GLU HB3 H 1.87 0.005 .
86 . 14 GLU HG2 H 2.18 0.005 .
87 . 14 GLU HG3 H 2.03 0.005 .
88 . 15 SER H H 7.57 0.005 .
89 . 15 SER HA H 4.39 0.005 .
90 . 15 SER HB2 H 3.98 0.005 .
91 . 15 SER HB3 H 3.92 0.005 .
92 . 16 TYR H H 9.08 0.005 .
93 . 16 TYR HA H 3.91 0.005 .
94 . 16 TYR HB2 H 2.63 0.005 .
95 . 16 TYR HB3 H 1.38 0.005 .
96 . 16 TYR HD1 H 5.56 0.005 .
97 . 16 TYR HD2 H 5.56 0.005 .
98 . 16 TYR HE1 H 6.23 0.005 .
99 . 16 TYR HE2 H 6.23 0.005 .
100 . 17 TRP H H 8.00 0.005 .
101 . 17 TRP HA H 4.16 0.005 .
102 . 17 TRP HB2 H 2.95 0.005 .
103 . 17 TRP HB3 H 2.25 0.005 .
104 . 17 TRP HD1 H 7.02 0.005 .
105 . 17 TRP HE1 H 10.35 0.005 .
106 . 17 TRP HE3 H 7.25 0.005 .
107 . 17 TRP HZ2 H 7.55 0.005 .
108 . 17 TRP HZ3 H 7.55 0.005 .
109 . 17 TRP HH2 H 6.99 0.005 .
110 . 18 TYR H H 7.41 0.005 .
111 . 18 TYR HA H 3.83 0.005 .
112 . 18 TYR HB2 H 3.66 0.005 .
113 . 18 TYR HB3 H 2.58 0.005 .
114 . 18 TYR HD1 H 6.86 0.005 .
115 . 18 TYR HD2 H 6.86 0.005 .
116 . 18 TYR HE1 H 6.73 0.005 .
117 . 18 TYR HE2 H 6.73 0.005 .
118 . 19 GLY H H 8.36 0.005 .
119 . 19 GLY HA2 H 3.10 0.005 .
120 . 19 GLY HA3 H 3.85 0.005 .
121 . 20 ASP H H 8.61 0.005 .
122 . 20 ASP HA H 4.75 0.005 .
123 . 20 ASP HB2 H 2.98 0.005 .
124 . 20 ASP HB3 H 2.75 0.005 .
125 . 21 VAL H H 8.66 0.005 .
126 . 21 VAL HA H 5.04 0.005 .
127 . 21 VAL HB H 1.88 0.005 .
128 . 21 VAL HG1 H 0.84 0.005 .
129 . 21 VAL HG2 H 0.69 0.005 .
130 . 22 GLY H H 9.00 0.005 .
131 . 22 GLY HA2 H 4.57 0.005 .
132 . 22 GLY HA3 H 2.82 0.005 .
133 . 23 THR H H 8.32 0.005 .
134 . 23 THR HA H 4.94 0.005 .
135 . 23 THR HB H 3.57 0.005 .
136 . 23 THR HG2 H 0.96 0.005 .
137 . 24 VAL H H 9.44 0.005 .
138 . 24 VAL HA H 3.63 0.005 .
139 . 24 VAL HB H 2.25 0.005 .
140 . 24 VAL HG1 H 0.79 0.005 .
141 . 24 VAL HG2 H 0.47 0.005 .
142 . 25 ALA H H 9.83 0.005 .
143 . 25 ALA HA H 4.37 0.005 .
144 . 25 ALA HB H 1.22 0.005 .
145 . 26 SER H H 7.67 0.005 .
146 . 26 SER HA H 4.28 0.005 .
147 . 26 SER HB2 H 3.77 0.005 .
148 . 26 SER HB3 H 3.68 0.005 .
149 . 27 VAL H H 8.40 0.005 .
150 . 27 VAL HA H 4.68 0.005 .
151 . 27 VAL HB H 1.88 0.005 .
152 . 27 VAL HG1 H 0.85 0.005 .
153 . 27 VAL HG2 H 0.7 0.005 .
154 . 28 GLU H H 9.44 0.005 .
155 . 28 GLU HA H 4.35 0.005 .
156 . 28 GLU HB2 H 1.94 0.005 .
157 . 28 GLU HB3 H 1.97 0.005 .
158 . 28 GLU HG2 H 2.31 0.005 .
159 . 28 GLU HG3 H 2.20 0.005 .
160 . 29 LYS H H 8.67 0.005 .
161 . 29 LYS HA H 4.33 0.005 .
162 . 29 LYS HB2 H 1.96 0.005 .
163 . 29 LYS HB3 H 1.70 0.005 .
164 . 29 LYS HG2 H 1.43 0.005 .
165 . 29 LYS HG3 H 1.47 0.005 .
166 . 29 LYS HD2 H 1.60 0.005 .
167 . 29 LYS HD3 H 1.74 0.005 .
168 . 29 LYS HE2 H 2.97 0.005 .
169 . 29 LYS HE3 H 2.97 0.005 .
170 . 30 SER H H 7.81 0.005 .
171 . 30 SER HA H 4.32 0.005 .
172 . 30 SER HB2 H 3.94 0.005 .
173 . 30 SER HB3 H 3.84 0.005 .
174 . 31 GLY H H 8.77 0.005 .
175 . 31 GLY HA2 H 4.07 0.005 .
176 . 31 GLY HA3 H 3.76 0.005 .
177 . 32 ILE H H 7.15 0.005 .
178 . 32 ILE HA H 4.18 0.005 .
179 . 32 ILE HB H 2.00 0.005 .
180 . 32 ILE HG12 H 1.03 0.005 .
181 . 32 ILE HG13 H 1.03 0.005 .
182 . 32 ILE HG2 H 0.84 0.005 .
183 . 32 ILE HD1 H 0.75 0.005 .
184 . 33 LEU H H 8.19 0.005 .
185 . 33 LEU HA H 3.81 0.005 .
186 . 33 LEU HB2 H 1.26 0.005 .
187 . 33 LEU HB3 H 1.11 0.005 .
188 . 33 LEU HG H 0.9 0.005 .
189 . 33 LEU HD1 H 0.74 0.005 .
190 . 33 LEU HD2 H 0.64 0.005 .
191 . 34 TYR H H 7.74 0.005 .
192 . 34 TYR HA H 4.68 0.005 .
193 . 34 TYR HB2 H 2.82 0.005 .
194 . 34 TYR HB3 H 2.22 0.005 .
195 . 34 TYR HD1 H 7.11 0.005 .
196 . 34 TYR HD2 H 7.11 0.005 .
197 . 34 TYR HE1 H 6.84 0.005 .
198 . 34 TYR HE2 H 6.84 0.005 .
199 . 35 PRO HA H 4.67 0.005 .
200 . 35 PRO HB2 H 2.22 0.005 .
201 . 35 PRO HB3 H 2.12 0.005 .
202 . 35 PRO HG2 H 1.96 0.005 .
203 . 35 PRO HG3 H 2.02 0.005 .
204 . 35 PRO HD2 H 3.67 0.005 .
205 . 35 PRO HD3 H 3.87 0.005 .
206 . 36 VAL H H 8.83 0.005 .
207 . 36 VAL HA H 4.36 0.005 .
208 . 36 VAL HB H 2.11 0.005 .
209 . 36 VAL HG1 H 0.87 0.005 .
210 . 36 VAL HG2 H 0.7 0.005 .
211 . 37 ILE H H 8.86 0.005 .
212 . 37 ILE HA H 4.40 0.005 .
213 . 37 ILE HB H 1.87 0.005 .
214 . 37 ILE HG12 H 0.95 0.005 .
215 . 37 ILE HG13 H 1.53 0.005 .
216 . 37 ILE HG2 H 0.67 0.005 .
217 . 37 ILE HD1 H 0.77 0.005 .
218 . 38 VAL H H 8.81 0.005 .
219 . 38 VAL HA H 4.20 0.005 .
220 . 38 VAL HB H 1.60 0.005 .
221 . 38 VAL HG1 H 0.65 0.005 .
222 . 39 ARG H H 8.65 0.005 .
223 . 39 ARG HA H 4.80 0.005 .
224 . 39 ARG HB2 H 1.54 0.005 .
225 . 39 ARG HB3 H 1.40 0.005 .
226 . 39 ARG HG2 H 1.47 0.005 .
227 . 39 ARG HG3 H 1.47 0.005 .
228 . 39 ARG HD2 H 3.08 0.005 .
229 . 39 ARG HD3 H 3.08 0.005 .
230 . 40 PHE H H 8.86 0.005 .
231 . 40 PHE HA H 4.78 0.005 .
232 . 40 PHE HB2 H 3.33 0.005 .
233 . 40 PHE HB3 H 2.30 0.005 .
234 . 40 PHE HD1 H 6.31 0.005 .
235 . 40 PHE HD2 H 6.31 0.005 .
236 . 40 PHE HE1 H 6.39 0.005 .
237 . 40 PHE HE2 H 6.39 0.005 .
238 . 40 PHE HZ H 6.59 0.005 .
239 . 41 ASP H H 8.86 0.005 .
240 . 41 ASP HA H 4.63 0.005 .
241 . 41 ASP HB2 H 2.77 0.005 .
242 . 41 ASP HB3 H 2.63 0.005 .
243 . 42 ARG H H 8.07 0.005 .
244 . 42 ARG HA H 4.50 0.005 .
245 . 42 ARG HB2 H 1.97 0.005 .
246 . 42 ARG HB3 H 1.92 0.005 .
247 . 42 ARG HG2 H 1.79 0.005 .
248 . 42 ARG HG3 H 1.56 0.005 .
249 . 42 ARG HD2 H 3.28 0.005 .
250 . 42 ARG HD3 H 3.16 0.005 .
251 . 43 VAL H H 8.50 0.005 .
252 . 43 VAL HA H 4.02 0.005 .
253 . 43 VAL HB H 1.74 0.005 .
254 . 43 VAL HG1 H 0.89 0.005 .
255 . 43 VAL HG2 H 0.28 0.005 .
256 . 44 ASN H H 8.75 0.005 .
257 . 44 ASN HA H 4.20 0.005 .
258 . 44 ASN HB2 H 2.65 0.005 .
259 . 44 ASN HB3 H 1.74 0.005 .
260 . 44 ASN HD21 H 5.78 0.005 .
261 . 44 ASN HD22 H 6.52 0.005 .
262 . 45 TYR H H 8.64 0.005 .
263 . 45 TYR HA H 4.51 0.005 .
264 . 45 TYR HB2 H 3.18 0.005 .
265 . 45 TYR HB3 H 2.67 0.005 .
266 . 45 TYR HD1 H 7.08 0.005 .
267 . 45 TYR HD2 H 7.08 0.005 .
268 . 45 TYR HE1 H 6.76 0.005 .
269 . 45 TYR HE2 H 6.76 0.005 .
270 . 46 ASN H H 8.27 0.005 .
271 . 46 ASN HA H 4.47 0.005 .
272 . 46 ASN HB2 H 2.68 0.005 .
273 . 46 ASN HB3 H 2.63 0.005 .
274 . 46 ASN HD21 H 6.92 0.005 .
275 . 46 ASN HD22 H 7.56 0.005 .
276 . 47 GLY H H 8.22 0.005 .
277 . 47 GLY HA2 H 3.83 0.005 .
278 . 47 GLY HA3 H 3.76 0.005 .
279 . 48 PHE H H 8.14 0.005 .
280 . 48 PHE HA H 4.65 0.005 .
281 . 48 PHE HB2 H 3.12 0.005 .
282 . 48 PHE HB3 H 2.97 0.005 .
283 . 48 PHE HD1 H 7.23 0.005 .
284 . 48 PHE HD2 H 7.23 0.005 .
285 . 48 PHE HE1 H 7.30 0.005 .
286 . 48 PHE HE2 H 7.30 0.005 .
287 . 48 PHE HZ H 7.34 0.005 .
288 . 49 SER H H 8.43 0.005 .
289 . 49 SER HA H 4.35 0.005 .
290 . 49 SER HB2 H 3.81 0.005 .
291 . 49 SER HB3 H 3.75 0.005 .
292 . 50 GLY H H 8.13 0.005 .
293 . 50 GLY HA2 H 3.95 0.005 .
294 . 50 GLY HA3 H 3.85 0.005 .
295 . 51 SER H H 8.14 0.005 .
296 . 51 SER HA H 4.44 0.005 .
297 . 51 SER HB2 H 3.90 0.005 .
298 . 51 SER HB3 H 3.80 0.005 .
299 . 52 ALA H H 8.47 0.005 .
300 . 52 ALA HA H 4.40 0.005 .
301 . 52 ALA HB H 1.41 0.005 .
302 . 53 SER H H 8.19 0.005 .
303 . 53 SER HA H 4.50 0.005 .
304 . 53 SER HB2 H 3.83 0.005 .
305 . 53 SER HB3 H 3.76 0.005 .
306 . 54 GLY H H 8.15 0.005 .
307 . 54 GLY HA2 H 3.72 0.005 .
308 . 54 GLY HA3 H 3.50 0.005 .
309 . 55 VAL H H 8.01 0.005 .
310 . 55 VAL HA H 4.48 0.005 .
311 . 55 VAL HB H 2.16 0.005 .
312 . 55 VAL HG1 H 1.12 0.005 .
313 . 55 VAL HG2 H 1.03 0.005 .
314 . 56 ASN H H 8.81 0.005 .
315 . 56 ASN HA H 5.22 0.005 .
316 . 56 ASN HB2 H 3.48 0.005 .
317 . 56 ASN HB3 H 2.59 0.005 .
318 . 56 ASN HD21 H 6.73 0.005 .
319 . 56 ASN HD22 H 7.63 0.005 .
320 . 57 THR H H 7.48 0.005 .
321 . 57 THR HA H 5.54 0.005 .
322 . 57 THR HB H 3.92 0.005 .
323 . 57 THR HG2 H 1.02 0.005 .
324 . 58 ASN H H 8.70 0.005 .
325 . 58 ASN HA H 4.79 0.005 .
326 . 58 ASN HB2 H 2.72 0.005 .
327 . 58 ASN HB3 H 2.55 0.005 .
328 . 58 ASN HD21 H 7.16 0.005 .
329 . 58 ASN HD22 H 7.63 0.005 .
330 . 59 ASN H H 8.07 0.005 .
331 . 59 ASN HA H 5.52 0.005 .
332 . 59 ASN HB2 H 2.82 0.005 .
333 . 59 ASN HB3 H 2.48 0.005 .
334 . 59 ASN HD21 H 6.77 0.005 .
335 . 59 ASN HD22 H 7.67 0.005 .
336 . 60 PHE H H 9.65 0.005 .
337 . 60 PHE HA H 4.60 0.005 .
338 . 60 PHE HB2 H 3.45 0.005 .
339 . 60 PHE HB3 H 2.44 0.005 .
340 . 60 PHE HD1 H 7.14 0.005 .
341 . 60 PHE HD2 H 7.14 0.005 .
342 . 60 PHE HE1 H 7.19 0.005 .
343 . 60 PHE HE2 H 7.19 0.005 .
344 . 60 PHE HZ H 7.34 0.005 .
345 . 61 ALA H H 9.82 0.005 .
346 . 61 ALA HA H 5.03 0.005 .
347 . 61 ALA HB H 1.69 0.005 .
348 . 62 GLU H H 9.55 0.005 .
349 . 62 GLU HA H 3.76 0.005 .
350 . 62 GLU HB2 H 2.17 0.005 .
351 . 62 GLU HB3 H 2.04 0.005 .
352 . 62 GLU HG2 H 2.23 0.005 .
353 . 62 GLU HG3 H 2.23 0.005 .
354 . 63 ASN H H 8.37 0.005 .
355 . 63 ASN HA H 4.65 0.005 .
356 . 63 ASN HB2 H 3.10 0.005 .
357 . 63 ASN HB3 H 2.81 0.005 .
358 . 63 ASN HD21 H 6.80 0.005 .
359 . 63 ASN HD22 H 7.62 0.005 .
360 . 64 GLU H H 7.95 0.005 .
361 . 64 GLU HA H 4.50 0.005 .
362 . 64 GLU HB2 H 2.50 0.005 .
363 . 64 GLU HB3 H 2.26 0.005 .
364 . 64 GLU HG2 H 2.60 0.005 .
365 . 64 GLU HG3 H 2.70 0.005 .
366 . 65 LEU H H 7.52 0.005 .
367 . 65 LEU HA H 5.07 0.005 .
368 . 65 LEU HB2 H 1.88 0.005 .
369 . 65 LEU HB3 H 0.84 0.005 .
370 . 65 LEU HG H 1.77 0.005 .
371 . 65 LEU HD1 H 0.56 0.005 .
372 . 65 LEU HD2 H 0.32 0.005 .
373 . 66 GLU H H 8.71 0.005 .
374 . 66 GLU HA H 4.68 0.005 .
375 . 66 GLU HB2 H 1.92 0.005 .
376 . 66 GLU HB3 H 1.72 0.005 .
377 . 66 GLU HG2 H 2.14 0.005 .
378 . 66 GLU HG3 H 2.14 0.005 .
379 . 67 LEU H H 9.13 0.005 .
380 . 67 LEU HA H 4.22 0.005 .
381 . 67 LEU HB2 H 1.78 0.005 .
382 . 67 LEU HB3 H 1.68 0.005 .
383 . 67 LEU HG H 1.30 0.005 .
384 . 67 LEU HD1 H 0.83 0.005 .
385 . 67 LEU HD2 H 0.80 0.005 .
386 . 68 VAL H H 9.07 0.005 .
387 . 68 VAL HA H 4.11 0.005 .
388 . 68 VAL HB H 1.68 0.005 .
389 . 68 VAL HG1 H 0.80 0.005 .
390 . 68 VAL HG2 H 0.80 0.005 .
391 . 69 GLN H H 7.71 0.005 .
392 . 69 GLN HA H 4.36 0.005 .
393 . 69 GLN HB2 H 1.82 0.005 .
394 . 69 GLN HB3 H 1.25 0.005 .
395 . 69 GLN HG2 H 2.00 0.005 .
396 . 69 GLN HG3 H 2.25 0.005 .
397 . 69 GLN HE21 H 6.91 0.005 .
398 . 69 GLN HE22 H 7.69 0.005 .
399 . 70 ALA H H 9.04 0.005 .
400 . 70 ALA HA H 4.39 0.005 .
401 . 70 ALA HB H 1.36 0.005 .
402 . 71 ALA H H 9.28 0.005 .
403 . 71 ALA HA H 4.11 0.005 .
404 . 71 ALA HB H 1.31 0.005 .
405 . 72 ALA H H 8.38 0.005 .
406 . 72 ALA HA H 4.23 0.005 .
407 . 72 ALA HB H 1.31 0.005 .
408 . 73 LYS H H 8.00 0.005 .
409 . 73 LYS HA H 4.10 0.005 .
410 . 73 LYS HB2 H 1.78 0.005 .
411 . 73 LYS HB3 H 1.67 0.005 .
412 . 73 LYS HG2 H 1.32 0.005 .
413 . 73 LYS HG3 H 1.30 0.005 .
414 . 73 LYS HD2 H 1.60 0.005 .
415 . 73 LYS HD3 H 1.60 0.005 .
416 . 73 LYS HE2 H 2.95 0.005 .
417 . 73 LYS HE3 H 2.95 0.005 .
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