data_6349
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C and 15N Chemical Shift Assignments for the LH1 Alfa Polypeptide of
Rhodospirillum rubrum
;
_BMRB_accession_number 6349
_BMRB_flat_file_name bmr6349.str
_Entry_type original
_Submission_date 2004-10-12
_Accession_date 2004-10-13
_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 Wang Zheng-Yu . .
2 Gokan Kazutaka . .
3 Kobayashi Masayuki . .
4 Nozawa Tsunenori . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 196
"13C chemical shifts" 147
"15N chemical shifts" 50
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2005-03-17 original author .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
6350 'LH1 Beta Polypeptide'
stop_
_Original_release_date 2005-03-17
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution Structures of the Core Light-harvesting alpha and beta Polypeptides
from Rhodospirillum rubrum: Implications for the Pigment-Protein and
Protein-Protein Interactions
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 15740753
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Wang Zheng-Yu . .
2 Gokan Kazutaka . .
3 Kobayashi Masayuki . .
4 Nozawa Tsunenori . .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 347
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 465
_Page_last 477
_Year 2005
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_LH1_alfa
_Saveframe_category molecular_system
_Mol_system_name 'LH1 alfa polypeptide'
_Abbreviation_common 'LH1 alfa'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'LH1 alfa' $LH1_alfa
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_LH1_alfa
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Alfa subunit of LH1 complex'
_Abbreviation_common 'LH1 alfa'
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 52
_Mol_residue_sequence
;
MWRIWQLFDPRQALVGLATF
LFVLALLIHFILLSTERFNW
LEGASTKPVQTS
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 TRP 3 ARG 4 ILE 5 TRP
6 GLN 7 LEU 8 PHE 9 ASP 10 PRO
11 ARG 12 GLN 13 ALA 14 LEU 15 VAL
16 GLY 17 LEU 18 ALA 19 THR 20 PHE
21 LEU 22 PHE 23 VAL 24 LEU 25 ALA
26 LEU 27 LEU 28 ILE 29 HIS 30 PHE
31 ILE 32 LEU 33 LEU 34 SER 35 THR
36 GLU 37 ARG 38 PHE 39 ASN 40 TRP
41 LEU 42 GLU 43 GLY 44 ALA 45 SER
46 THR 47 LYS 48 PRO 49 VAL 50 GLN
51 THR 52 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-10-26
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 1XRD "Light-Harvesting Complex 1 Alfa Subunit From Wild-Type Rhodospirillum Rubrum" 100.00 52 100.00 100.00 6.46e-28
GB AAA26462 "B880 holochrome alpha precursor [Rhodospirillum rubrum]" 100.00 62 100.00 100.00 3.41e-28
GB ABC23771 "Antenna complex, alpha/beta subunit [Rhodospirillum rubrum ATCC 11170]" 100.00 62 100.00 100.00 3.41e-28
GB AEO49511 "antenna complex, alpha/subunit beta [Rhodospirillum rubrum F11]" 100.00 62 100.00 100.00 3.41e-28
PRF 0708175A "protein,light harvesting" 100.00 52 100.00 100.00 6.46e-28
REF WP_011390724 "antenna complex subunit alpha/beta [Rhodospirillum rubrum]" 100.00 62 100.00 100.00 3.41e-28
REF YP_006049308 "antenna complex subunit alpha/beta [Rhodospirillum rubrum F11]" 100.00 62 100.00 100.00 3.41e-28
REF YP_428058 "antenna complex subunit alpha/beta [Rhodospirillum rubrum ATCC 11170]" 100.00 62 100.00 100.00 3.41e-28
SP P02947 "RecName: Full=Light-harvesting protein B-870 alpha chain; AltName: Full=Antenna pigment protein alpha chain; AltName: Full=LH-1" 100.00 62 100.00 100.00 3.41e-28
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$LH1_alfa 'Rhodospirillum rubrum' 1085 Eubacteria . Rhodospirillum rubrum
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
$LH1_alfa 'purified from the natural source' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_LH1a
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$LH1_alfa . mM 0.5 1.5 '[U-95% 13C; U-95% 15N]'
'chloroform-d:methanol-d3 [1:1 (v/v)]' 100 % . . .
stop_
save_
############################
# Computer software used #
############################
save_NMRView
_Saveframe_category software
_Name NMRView
_Version 5.0.4
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 400
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H-15N_NOESY-HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N NOESY-HSQC'
_Sample_label .
save_
save_1H-15N_TOCSY-HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N TOCSY-HSQC'
_Sample_label .
save_
save_HNCA_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_Sample_label .
save_
save_HN(CO)CA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_Sample_label .
save_
save_CBCANH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCANH
_Sample_label .
save_
save_CBCA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_Sample_label .
save_
save_HBHANH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHANH
_Sample_label .
save_
save_HBHA(CO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CO)NH
_Sample_label .
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N NOESY-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N TOCSY-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name HN(CO)CA
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCANH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCA(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHANH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_8
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHA(CO)NH
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_Ex-cond
_Saveframe_category sample_conditions
_Details 'The sample was dissolved in 1:1 (v/v) chloroform-d:methanol-d3.'
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH* . . na
temperature 298 0.5 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
_Indirect_shift_ratio
TMS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000
TMS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
TMS 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_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'1H-15N NOESY-HSQC'
'1H-15N TOCSY-HSQC'
HNCA
HN(CO)CA
CBCANH
CBCA(CO)NH
HBHANH
HBHA(CO)NH
stop_
loop_
_Sample_label
$sample_LH1a
stop_
_Sample_conditions_label $Ex-cond
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'LH1 alfa'
_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 MET H H 8.69 0.01 1
2 . 1 MET HA H 4.13 0.01 1
3 . 1 MET HB2 H 2.44 0.01 1
4 . 1 MET HB3 H 2.44 0.01 1
5 . 1 MET HG2 H 1.83 0.01 1
6 . 1 MET HG3 H 1.83 0.01 1
7 . 1 MET CA C 53.8 0.01 1
8 . 1 MET CB C 29.58 0.01 1
9 . 1 MET N N 127.69 0.01 1
10 . 2 TRP H H 7.69 0.01 1
11 . 2 TRP HA H 4.42 0.01 1
12 . 2 TRP HB2 H 3.33 0.01 1
13 . 2 TRP HB3 H 3.41 0.01 1
14 . 2 TRP C C 173.6 0.01 1
15 . 2 TRP CA C 56.46 0.01 1
16 . 2 TRP CB C 26.17 0.01 1
17 . 2 TRP N N 116.82 0.01 1
18 . 3 ARG H H 7.19 0.01 1
19 . 3 ARG HA H 3.98 0.01 1
20 . 3 ARG HB2 H 1.47 0.01 1
21 . 3 ARG HB3 H 1.68 0.01 1
22 . 3 ARG HG2 H 1 0.01 1
23 . 3 ARG HG3 H 1 0.01 1
24 . 3 ARG HD2 H 2.98 0.01 1
25 . 3 ARG HD3 H 2.98 0.01 1
26 . 3 ARG C C 174.32 0.01 1
27 . 3 ARG CA C 55.62 0.01 1
28 . 3 ARG CB C 27.44 0.01 1
29 . 3 ARG N N 118.22 0.01 1
30 . 4 ILE H H 7.45 0.01 1
31 . 4 ILE HA H 3.87 0.01 1
32 . 4 ILE HB H 1.96 0.01 1
33 . 4 ILE C C 174.95 0.01 1
34 . 4 ILE CA C 61.31 0.01 1
35 . 4 ILE CB C 35.51 0.01 1
36 . 4 ILE N N 116.73 0.01 1
37 . 5 TRP H H 7.54 0.01 1
38 . 5 TRP HA H 4.56 0.01 1
39 . 5 TRP HB2 H 3.45 0.01 1
40 . 5 TRP HB3 H 3.45 0.01 1
41 . 5 TRP C C 174.43 0.01 1
42 . 5 TRP CA C 56.46 0.01 1
43 . 5 TRP CB C 26.17 0.01 1
44 . 5 TRP N N 118.37 0.01 1
45 . 6 GLN H H 7.85 0.01 1
46 . 6 GLN HA H 4.09 0.01 1
47 . 6 GLN HB2 H 2.2 0.01 1
48 . 6 GLN HB3 H 2.2 0.01 1
49 . 6 GLN C C 175.4 0.01 1
50 . 6 GLN CA C 56.16 0.01 1
51 . 6 GLN CB C 26.44 0.01 1
52 . 6 GLN N N 115.81 0.01 1
53 . 7 LEU H H 7.52 0.01 1
54 . 7 LEU HA H 4.1 0.01 1
55 . 7 LEU HB2 H 1.35 0.01 1
56 . 7 LEU HB3 H 1.71 0.01 1
57 . 7 LEU C C 174.3 0.01 1
58 . 7 LEU CA C 54.24 0.01 1
59 . 7 LEU CB C 39.72 0.01 1
60 . 7 LEU N N 115.79 0.01 1
61 . 8 PHE H H 7.61 0.01 1
62 . 8 PHE HA H 4.63 0.01 1
63 . 8 PHE HB2 H 3.04 0.01 1
64 . 8 PHE HB3 H 3.41 0.01 1
65 . 8 PHE C C 174.45 0.01 1
66 . 8 PHE CA C 55.63 0.01 1
67 . 8 PHE CB C 37.64 0.01 1
68 . 8 PHE N N 113.85 0.01 1
69 . 9 ASP H H 7.75 0.01 1
70 . 9 ASP HA H 4.98 0.01 1
71 . 9 ASP HB2 H 2.87 0.01 1
72 . 9 ASP HB3 H 2.87 0.01 1
73 . 9 ASP C C 172.6 0.01 1
74 . 9 ASP CA C 49.85 0.01 1
75 . 9 ASP CB C 37.94 0.01 1
76 . 9 ASP N N 117.94 0.01 1
77 . 10 PRO HA H 4.46 0.01 1
78 . 10 PRO HB2 H 2.02 0.01 1
79 . 10 PRO HB3 H 2.49 0.01 1
80 . 10 PRO CA C 62.62 0.01 1
81 . 10 PRO CB C 29.91 0.01 1
82 . 11 ARG H H 8.19 0.01 1
83 . 11 ARG HA H 4.03 0.01 1
84 . 11 ARG HB2 H 1.99 0.01 1
85 . 11 ARG HB3 H 1.99 0.01 1
86 . 11 ARG C C 175.55 0.01 1
87 . 11 ARG CA C 57.25 0.01 1
88 . 11 ARG CB C 27.57 0.01 1
89 . 11 ARG N N 115.49 0.01 1
90 . 12 GLN H H 7.74 0.01 1
91 . 12 GLN HA H 4.07 0.01 1
92 . 12 GLN HB2 H 2.25 0.01 1
93 . 12 GLN HB3 H 2.25 0.01 1
94 . 12 GLN C C 175.83 0.01 1
95 . 12 GLN CA C 56.65 0.01 1
96 . 12 GLN CB C 26.53 0.01 1
97 . 12 GLN N N 116.05 0.01 1
98 . 13 ALA H H 7.81 0.01 1
99 . 13 ALA HA H 4.16 0.01 1
100 . 13 ALA HB H 1.6 0.01 1
101 . 13 ALA C C 175.79 0.01 1
102 . 13 ALA CA C 53.07 0.01 1
103 . 13 ALA CB C 16.01 0.01 1
104 . 13 ALA N N 120.6 0.01 1
105 . 14 LEU H H 7.69 0.01 1
106 . 14 LEU HA H 4.17 0.01 1
107 . 14 LEU HB2 H 1.76 0.01 1
108 . 14 LEU HB3 H 1.96 0.01 1
109 . 14 LEU C C 176.82 0.01 1
110 . 14 LEU CA C 56 0.01 1
111 . 14 LEU CB C 39.54 0.01 1
112 . 14 LEU N N 116.82 0.01 1
113 . 15 VAL H H 7.81 0.01 1
114 . 15 VAL HA H 3.71 0.01 1
115 . 15 VAL HB H 2.24 0.01 1
116 . 15 VAL HG1 H 1.05 0.01 1
117 . 15 VAL HG2 H 1.15 0.01 1
118 . 15 VAL C C 176.28 0.01 1
119 . 15 VAL CA C 64.34 0.01 1
120 . 15 VAL CB C 29.29 0.01 1
121 . 15 VAL N N 117.96 0.01 1
122 . 16 GLY H H 8.53 0.01 1
123 . 16 GLY HA2 H 3.89 0.01 1
124 . 16 GLY HA3 H 3.89 0.01 1
125 . 16 GLY C C 177.36 0.01 1
126 . 16 GLY CA C 45.56 0.01 1
127 . 16 GLY N N 109.89 0.01 1
128 . 17 LEU H H 8.33 0.01 1
129 . 17 LEU HA H 4.3 0.01 1
130 . 17 LEU HB2 H 1.82 0.01 1
131 . 17 LEU HB3 H 1.99 0.01 1
132 . 17 LEU C C 172.7 0.01 1
133 . 17 LEU CA C 56.12 0.01 1
134 . 17 LEU CB C 39.68 0.01 1
135 . 17 LEU N N 122.81 0.01 1
136 . 18 ALA H H 8.51 0.01 1
137 . 18 ALA HA H 4.12 0.01 1
138 . 18 ALA HB H 1.65 0.01 1
139 . 18 ALA C C 175.85 0.01 1
140 . 18 ALA CA C 53.56 0.01 1
141 . 18 ALA CB C 16.18 0.01 1
142 . 18 ALA N N 119.56 0.01 1
143 . 19 THR H H 8.21 0.01 1
144 . 19 THR HA H 4.04 0.01 1
145 . 19 THR HB H 4.49 0.01 1
146 . 19 THR HG2 H 1.4 0.01 1
147 . 19 THR C C 177.2 0.01 1
148 . 19 THR CA C 65.45 0.01 1
149 . 19 THR CB C 67.02 0.01 1
150 . 19 THR N N 113.22 0.01 1
151 . 20 PHE H H 8.31 0.01 1
152 . 20 PHE HA H 4.29 0.01 1
153 . 20 PHE HB2 H 3.42 0.01 1
154 . 20 PHE HB3 H 3.42 0.01 1
155 . 20 PHE C C 173.15 0.01 1
156 . 20 PHE CA C 59.42 0.01 1
157 . 20 PHE CB C 37 0.01 1
158 . 20 PHE N N 121.75 0.01 1
159 . 21 LEU H H 7.19 0.01 1
160 . 21 LEU HA H 3.98 0.01 1
161 . 21 LEU HB2 H 1.6 0.01 1
162 . 21 LEU HB3 H 2.09 0.01 1
163 . 21 LEU C C 174.55 0.01 1
164 . 21 LEU CA C 55.91 0.01 1
165 . 21 LEU CB C 39.39 0.01 1
166 . 21 LEU N N 118.22 0.01 1
167 . 22 PHE H H 8.25 0.01 1
168 . 22 PHE HA H 4.29 0.01 1
169 . 22 PHE HB2 H 3.37 0.01 1
170 . 22 PHE CA C 59.15 0.01 1
171 . 22 PHE CB C 37.16 0.01 1
172 . 22 PHE N N 119.46 0.01 1
173 . 23 VAL H H 8.36 0.01 1
174 . 23 VAL HA H 3.49 0.01 1
175 . 23 VAL HB H 2.26 0.01 1
176 . 23 VAL C C 174.55 0.01 1
177 . 23 VAL CA C 64.89 0.01 1
178 . 23 VAL CB C 28.84 0.01 1
179 . 23 VAL N N 118.2 0.01 1
180 . 24 LEU H H 8.26 0.01 1
181 . 24 LEU HA H 3.99 0.01 1
182 . 24 LEU HB2 H 1.68 0.01 1
183 . 24 LEU HB3 H 2.18 0.01 1
184 . 24 LEU C C 173.98 0.01 1
185 . 24 LEU CA C 55.04 0.01 1
186 . 24 LEU CB C 39.51 0.01 1
187 . 24 LEU N N 119.4 0.01 1
188 . 25 ALA H H 8.23 0.01 1
189 . 25 ALA HA H 3.94 0.01 1
190 . 25 ALA HB H 1.58 0.01 1
191 . 25 ALA C C 176.15 0.01 1
192 . 25 ALA CA C 53.53 0.01 1
193 . 25 ALA CB C 15.53 0.01 1
194 . 25 ALA N N 119.88 0.01 1
195 . 26 LEU H H 8.18 0.01 1
196 . 26 LEU HA H 3.93 0.01 1
197 . 26 LEU HB2 H 1.57 0.01 1
198 . 26 LEU HB3 H 1.86 0.01 1
199 . 26 LEU C C 178.3 0.01 1
200 . 26 LEU CA C 56.23 0.01 1
201 . 26 LEU CB C 39.54 0.01 1
202 . 26 LEU N N 119.91 0.01 1
203 . 27 LEU H H 8.51 0.01 1
204 . 27 LEU HA H 4.17 0.01 1
205 . 27 LEU HB2 H 1.89 0.01 1
206 . 27 LEU HB3 H 1.89 0.01 1
207 . 27 LEU C C 176.83 0.01 1
208 . 27 LEU CA C 56.23 0.01 1
209 . 27 LEU CB C 39.54 0.01 1
210 . 27 LEU N N 120.62 0.01 1
211 . 28 ILE H H 8.77 0.01 1
212 . 28 ILE HA H 3.69 0.01 1
213 . 28 ILE HB H 2 0.01 1
214 . 28 ILE C C 176.88 0.01 1
215 . 28 ILE CA C 63.25 0.01 1
216 . 28 ILE CB C 35.29 0.01 1
217 . 28 ILE N N 118.34 0.01 1
218 . 29 HIS H H 8.34 0.01 1
219 . 29 HIS HA H 4.23 0.01 1
220 . 29 HIS HB2 H 3.49 0.01 1
221 . 29 HIS HB3 H 3.49 0.01 1
222 . 29 HIS C C 175.78 0.01 1
223 . 29 HIS CA C 58.01 0.01 1
224 . 29 HIS CB C 25.81 0.01 1
225 . 29 HIS N N 116.68 0.01 1
226 . 30 PHE H H 8.69 0.01 1
227 . 30 PHE HA H 4.25 0.01 1
228 . 30 PHE HB2 H 3.41 0.01 1
229 . 30 PHE HB3 H 3.41 0.01 1
230 . 30 PHE C C 173.8 0.01 1
231 . 30 PHE CA C 59.82 0.01 1
232 . 30 PHE CB C 36.87 0.01 1
233 . 30 PHE N N 119.19 0.01 1
234 . 31 ILE H H 8.94 0.01 1
235 . 31 ILE HA H 3.65 0.01 1
236 . 31 ILE HB H 2.1 0.01 1
237 . 31 ILE C C 176.38 0.01 1
238 . 31 ILE CA C 63.36 0.01 1
239 . 31 ILE CB C 35.49 0.01 1
240 . 31 ILE N N 122.91 0.01 1
241 . 32 LEU H H 8.68 0.01 1
242 . 32 LEU HA H 4.09 0.01 1
243 . 32 LEU HB2 H 1.62 0.01 1
244 . 32 LEU HB3 H 1.91 0.01 1
245 . 32 LEU C C 176.9 0.01 1
246 . 32 LEU CA C 56.14 0.01 1
247 . 32 LEU CB C 39.6 0.01 1
248 . 32 LEU N N 122.78 0.01 1
249 . 33 LEU H H 8.29 0.01 1
250 . 33 LEU HA H 4.07 0.01 1
251 . 33 LEU HB2 H 1.63 0.01 1
252 . 33 LEU HB3 H 1.63 0.01 1
253 . 33 LEU C C 175.5 0.01 1
254 . 33 LEU CA C 56.14 0.01 1
255 . 33 LEU CB C 39.6 0.01 1
256 . 33 LEU N N 119 0.01 1
257 . 34 SER H H 8.25 0.01 1
258 . 34 SER HA H 4.05 0.01 1
259 . 34 SER C C 176.96 0.01 1
260 . 34 SER CA C 56 0.01 1
261 . 34 SER CB C 61.05 0.01 1
262 . 34 SER N N 113.96 0.01 1
263 . 35 THR H H 7.58 0.01 1
264 . 35 THR HA H 4.28 0.01 1
265 . 35 THR HB H 3.96 0.01 1
266 . 35 THR C C 172.99 0.01 1
267 . 35 THR CA C 59.2 0.01 1
268 . 35 THR N N 109.14 0.01 1
269 . 36 GLU H H 8.29 0.01 1
270 . 36 GLU HA H 4.06 0.01 1
271 . 36 GLU HB2 H 2.2 0.01 1
272 . 36 GLU HB3 H 2.31 0.01 1
273 . 36 GLU C C 173.89 0.01 1
274 . 36 GLU CA C 57.28 0.01 1
275 . 36 GLU CB C 25.4 0.01 1
276 . 36 GLU N N 121.11 0.01 1
277 . 37 ARG H H 8.22 0.01 1
278 . 37 ARG HA H 4.02 0.01 1
279 . 37 ARG HB2 H 2.02 0.01 1
280 . 37 ARG HB3 H 2.02 0.01 1
281 . 37 ARG C C 175.8 0.01 1
282 . 37 ARG CA C 57.66 0.01 1
283 . 37 ARG CB C 27.35 0.01 1
284 . 37 ARG N N 117.85 0.01 1
285 . 38 PHE H H 8.29 0.01 1
286 . 38 PHE HA H 4.28 0.01 1
287 . 38 PHE HB2 H 3.33 0.01 1
288 . 38 PHE HB3 H 3.33 0.01 1
289 . 38 PHE C C 176.4 0.01 1
290 . 38 PHE CA C 59.36 0.01 1
291 . 38 PHE CB C 37.13 0.01 1
292 . 38 PHE N N 119 0.01 1
293 . 39 ASN H H 8.49 0.01 1
294 . 39 ASN HA H 4.48 0.01 1
295 . 39 ASN HB2 H 2.78 0.01 1
296 . 39 ASN HB3 H 3.05 0.01 1
297 . 39 ASN C C 174.6 0.01 1
298 . 39 ASN CA C 54.35 0.01 1
299 . 39 ASN CB C 36.46 0.01 1
300 . 39 ASN N N 117.48 0.01 1
301 . 40 TRP H H 8.46 0.01 1
302 . 40 TRP HA H 4.3 0.01 1
303 . 40 TRP HB2 H 3.46 0.01 1
304 . 40 TRP HB3 H 3.46 0.01 1
305 . 40 TRP C C 175.45 0.01 1
306 . 40 TRP CA C 59.11 0.01 1
307 . 40 TRP CB C 26.72 0.01 1
308 . 40 TRP N N 120.49 0.01 1
309 . 41 LEU H H 8.29 0.01 1
310 . 41 LEU HA H 4 0.01 1
311 . 41 LEU HB2 H 1.68 0.01 1
312 . 41 LEU HB3 H 1.91 0.01 1
313 . 41 LEU C C 175.52 0.01 1
314 . 41 LEU CA C 55.89 0.01 1
315 . 41 LEU CB C 39.75 0.01 1
316 . 41 LEU N N 119 0.01 1
317 . 42 GLU H H 8.49 0.01 1
318 . 42 GLU HA H 4 0.01 1
319 . 42 GLU HB2 H 2.03 0.01 1
320 . 42 GLU HB3 H 2.03 0.01 1
321 . 42 GLU C C 177.2 0.01 1
322 . 42 GLU CA C 56.37 0.01 1
323 . 42 GLU CB C 25.68 0.01 1
324 . 42 GLU N N 118.3 0.01 1
325 . 43 GLY H H 8.3 0.01 1
326 . 43 GLY HA2 H 3.76 0.01 1
327 . 43 GLY HA3 H 3.76 0.01 1
328 . 43 GLY CA C 44.87 0.01 1
329 . 43 GLY N N 106.94 0.01 1
330 . 44 ALA H H 8.34 0.01 1
331 . 44 ALA HA H 4.11 0.01 1
332 . 44 ALA HB H 1.21 0.01 1
333 . 44 ALA C C 172.75 0.01 1
334 . 44 ALA CA C 52 0.01 1
335 . 44 ALA CB C 16.11 0.01 1
336 . 44 ALA N N 122.57 0.01 1
337 . 45 SER H H 7.68 0.01 1
338 . 45 SER HA H 4.31 0.01 1
339 . 45 SER HB2 H 3.97 0.01 1
340 . 45 SER HB3 H 3.97 0.01 1
341 . 45 SER C C 176.1 0.01 1
342 . 45 SER CA C 58.78 0.01 1
343 . 45 SER CB C 61.57 0.01 1
344 . 45 SER N N 109.78 0.01 1
345 . 46 THR H H 7.38 0.01 1
346 . 46 THR HA H 4.35 0.01 1
347 . 46 THR HB H 4.35 0.01 1
348 . 46 THR C C 171.89 0.01 1
349 . 46 THR CA C 60 0.01 1
350 . 46 THR CB C 67.5 0.01 1
351 . 46 THR N N 109.29 0.01 1
352 . 47 LYS H H 8.29 0.01 1
353 . 47 LYS HA H 4.57 0.01 1
354 . 47 LYS HB2 H 1.88 0.01 1
355 . 47 LYS HB3 H 1.88 0.01 1
356 . 47 LYS C C 172 0.01 1
357 . 47 LYS CA C 53.3 0.01 1
358 . 47 LYS CB C 29.22 0.01 1
359 . 47 LYS N N 121.11 0.01 1
360 . 48 PRO HA H 4.46 0.01 1
361 . 48 PRO HB2 H 1.99 0.01 1
362 . 48 PRO HB3 H 2.33 0.01 1
363 . 48 PRO CA C 61.85 0.01 1
364 . 48 PRO CB C 29.37 0.01 1
365 . 49 VAL H H 7.72 0.01 1
366 . 49 VAL HA H 4.04 0.01 1
367 . 49 VAL HB H 2.22 0.01 1
368 . 49 VAL C C 174.45 0.01 1
369 . 49 VAL CA C 60.74 0.01 1
370 . 49 VAL CB C 29.72 0.01 1
371 . 49 VAL N N 115.16 0.01 1
372 . 50 GLN H H 8.27 0.01 1
373 . 50 GLN HA H 4.34 0.01 1
374 . 50 GLN HB2 H 2.19 0.01 1
375 . 50 GLN HB3 H 2.19 0.01 1
376 . 50 GLN CA C 54.21 0.01 1
377 . 50 GLN CB C 26.92 0.01 1
378 . 50 GLN N N 119.43 0.01 1
379 . 51 THR H H 7.68 0.01 1
380 . 51 THR HA H 4.45 0.01 1
381 . 51 THR HB H 4.45 0.01 1
382 . 51 THR C C 173 0.01 1
383 . 51 THR CA C 59.07 0.01 1
384 . 51 THR CB C 67.24 0.01 1
385 . 51 THR N N 109.14 0.01 1
386 . 52 SER H H 7.72 0.01 1
387 . 52 SER HA H 4.58 0.01 1
388 . 52 SER HB2 H 3.97 0.01 1
389 . 52 SER HB3 H 3.97 0.01 1
390 . 52 SER C C 171.28 0.01 1
391 . 52 SER CA C 55.64 0.01 1
392 . 52 SER CB C 62.54 0.01 1
393 . 52 SER N N 115.16 0.01 1
stop_
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