data_5622
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Structural and Functional Characterization of a Thioredoxin-like Protein from
methanobacterium thermoautotrophicum (Delta H)
;
_BMRB_accession_number 5622
_BMRB_flat_file_name bmr5622.str
_Entry_type original
_Submission_date 2002-12-11
_Accession_date 2002-12-11
_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 Amegbey Godwin Yao .
2 Monzavi Hassan . .
3 Habibi-Nazad Bahram . .
4 Bhattacharyya Sudeepa . .
5 Wishart David S. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 474
"13C chemical shifts" 241
"15N chemical shifts" 80
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2003-08-08 original author .
stop_
_Original_release_date 2003-08-08
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structural and Functional Characterization of a Thioredoxin-like Protein
(Mt0807) from Methanobacterium thermoautotrophicum
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 22718516
_PubMed_ID 12834352
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Amegbey Godwin Y. .
2 Monzavi Hassan . .
3 Habibi-Nazhad Bahram . .
4 Bhattacharyya Sudeepa . .
5 Wishart David S. .
stop_
_Journal_abbreviation Biochemistry
_Journal_volume 42
_Journal_issue 26
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 8001
_Page_last 8010
_Year 2003
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_Mt0807
_Saveframe_category molecular_system
_Mol_system_name 'Thioredoxin-like Protein from Methanobacterium Thermoautotrophicum'
_Abbreviation_common Mt0807
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Mt0807 $Mt0807
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
loop_
_Biological_function
Thioredoxin-like
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Mt0807
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Thioredoxin from M. thermoautotrophicum'
_Abbreviation_common Mt0807
_Molecular_mass 9481
_Mol_thiol_state 'all free'
loop_
_Biological_function
'catalyse redox reactions'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 85
_Mol_residue_sequence
;
MVVNIEVFTSPTCPYCPMAI
EVVDEAKKEFGDKIDVEKID
IMVDREKAIEYGLMAVPAIA
INGVVRFVGAPSREELFEAI
NDEME
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 VAL 3 VAL 4 ASN 5 ILE
6 GLU 7 VAL 8 PHE 9 THR 10 SER
11 PRO 12 THR 13 CYS 14 PRO 15 TYR
16 CYS 17 PRO 18 MET 19 ALA 20 ILE
21 GLU 22 VAL 23 VAL 24 ASP 25 GLU
26 ALA 27 LYS 28 LYS 29 GLU 30 PHE
31 GLY 32 ASP 33 LYS 34 ILE 35 ASP
36 VAL 37 GLU 38 LYS 39 ILE 40 ASP
41 ILE 42 MET 43 VAL 44 ASP 45 ARG
46 GLU 47 LYS 48 ALA 49 ILE 50 GLU
51 TYR 52 GLY 53 LEU 54 MET 55 ALA
56 VAL 57 PRO 58 ALA 59 ILE 60 ALA
61 ILE 62 ASN 63 GLY 64 VAL 65 VAL
66 ARG 67 PHE 68 VAL 69 GLY 70 ALA
71 PRO 72 SER 73 ARG 74 GLU 75 GLU
76 LEU 77 PHE 78 GLU 79 ALA 80 ILE
81 ASN 82 ASP 83 GLU 84 MET 85 GLU
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 1NHO "Structural And Functional Characterization Of A Thioredoxin-Like Protein From Methanobacterium Thermoautotrophicum" 100.00 85 100.00 100.00 9.49e-52
DBJ BAM69972 "thioredoxin [Methanothermobacter thermautotrophicus CaT2]" 100.00 85 100.00 100.00 9.49e-52
GB AAB85307 "thioredoxin [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 85 100.00 100.00 9.49e-52
REF NP_275946 "thioredoxin [Methanothermobacter thermautotrophicus str. Delta H]" 100.00 85 100.00 100.00 9.49e-52
REF WP_010876442 "thioredoxin [Methanothermobacter thermautotrophicus]" 100.00 85 100.00 100.00 9.49e-52
SP O26898 "RecName: Full=Probable Thioredoxin; AltName: Full=Glutaredoxin-like protein [Methanothermobacter thermautotrophicus str. Delta " 100.00 85 100.00 100.00 9.49e-52
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Mt0807 'Methanothermobacter thermoautotrophicus' 145262 Archaea Euryarchaeota Methanobacterium thermoautotrophicum
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
$Mt0807 '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
$Mt0807 1 mM '[U-13C; U-15N]'
NaH2PO4 50 mM .
NaCl 100 mM .
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
_Details 'Varian INC.'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Inova
_Field_strength 500
_Details 'Varian Inova spectrometer equipped with 5mm tripple resonance and pulse gradient accessories.'
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-NOESY'
_Sample_label $sample_1
save_
save_2D_1H-TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-TOCSY'
_Sample_label $sample_1
save_
save_1H-15N_HSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_HSQC_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY HSQC'
_Sample_label $sample_1
save_
save_3D_1H-15N_TOCSY-HSQC_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY-HSQC'
_Sample_label $sample_1
save_
save_HNCO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label $sample_1
save_
save_HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label $sample_1
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-TOCSY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H-15N HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY-HSQC'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_7
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_Sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.0 . pH
temperature 298 . K
'ionic strength' 0.15 . M
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_citation_label
_Correction_value_citation_label
. H 1 . ppm . . . . . . $entry_citation $entry_citation
. N 15 . ppm . . . . . . $entry_citation $entry_citation
. C 13 . ppm . . . . . . $entry_citation $entry_citation
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
'2D 1H-NOESY'
'2D 1H-TOCSY'
'1H-15N HSQC'
'3D 1H-15N NOESY HSQC'
'3D 1H-15N TOCSY-HSQC'
HNCO
HNCACB
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $Sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name Mt0807
_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 8.42 0.01 1
2 . 1 MET HA H 4.47 0.01 1
3 . 1 MET HB2 H 2.01 0.01 1
4 . 1 MET HB3 H 2.01 0.01 1
5 . 1 MET HG2 H 2.54 0.01 1
6 . 1 MET HG3 H 2.54 0.01 1
7 . 1 MET C C 175.51 0.15 1
8 . 1 MET CA C 55.78 0.15 1
9 . 1 MET CB C 33.04 0.15 1
10 . 1 MET N N 121.29 0.15 1
11 . 2 VAL H H 8.02 0.01 1
12 . 2 VAL HA H 4.17 0.01 1
13 . 2 VAL HB H 1.80 0.01 1
14 . 2 VAL HG1 H 0.86 0.01 1
15 . 2 VAL HG2 H 0.70 0.01 1
16 . 2 VAL C C 175.27 0.15 1
17 . 2 VAL CA C 61.32 0.15 1
18 . 2 VAL CB C 34.26 0.15 1
19 . 2 VAL N N 120.91 0.15 1
20 . 3 VAL H H 8.17 0.01 1
21 . 3 VAL HA H 4.18 0.01 1
22 . 3 VAL HB H 1.97 0.01 1
23 . 3 VAL HG1 H 0.90 0.01 1
24 . 3 VAL HG2 H 0.69 0.01 1
25 . 3 VAL C C 174.66 0.15 1
26 . 3 VAL CA C 62.41 0.15 1
27 . 3 VAL CB C 32.84 0.15 1
28 . 3 VAL N N 126.31 0.15 1
29 . 4 ASN H H 8.65 0.01 1
30 . 4 ASN HA H 5.06 0.01 1
31 . 4 ASN HB2 H 2.78 0.01 2
32 . 4 ASN HB3 H 2.38 0.01 2
33 . 4 ASN C C 174.39 0.15 1
34 . 4 ASN CA C 53.88 0.15 1
35 . 4 ASN CB C 40.50 0.15 1
36 . 4 ASN N N 127.08 0.15 1
37 . 5 ILE H H 9.34 0.01 1
38 . 5 ILE HA H 5.05 0.01 1
39 . 5 ILE HB H 1.95 0.01 1
40 . 5 ILE HG12 H 1.24 0.01 1
41 . 5 ILE HG13 H 1.10 0.01 1
42 . 5 ILE HG2 H 0.80 0.01 1
43 . 5 ILE HD1 H 0.73 0.01 1
44 . 5 ILE C C 174.82 0.15 1
45 . 5 ILE CA C 59.63 0.15 1
46 . 5 ILE CB C 39.32 0.15 1
47 . 5 ILE N N 127.08 0.15 1
48 . 6 GLU H H 9.06 0.01 1
49 . 6 GLU HA H 5.04 0.01 1
50 . 6 GLU HB2 H 2.06 0.01 1
51 . 6 GLU HB3 H 2.06 0.01 1
52 . 6 GLU HG2 H 1.45 0.01 1
53 . 6 GLU HG3 H 1.45 0.01 1
54 . 6 GLU C C 174.35 0.15 1
55 . 6 GLU CA C 54.29 0.15 1
56 . 6 GLU CB C 33.91 0.15 1
57 . 6 GLU N N 127.46 0.15 1
58 . 7 VAL H H 8.80 0.01 1
59 . 7 VAL HA H 4.94 0.01 1
60 . 7 VAL HB H 1.87 0.01 1
61 . 7 VAL HG1 H 0.84 0.01 1
62 . 7 VAL HG2 H 0.84 0.01 1
63 . 7 VAL C C 175.50 0.15 1
64 . 7 VAL CA C 59.64 0.15 1
65 . 7 VAL CB C 33.90 0.15 1
66 . 7 VAL N N 122.45 0.15 1
67 . 8 PHE H H 9.40 0.01 1
68 . 8 PHE HA H 5.42 0.01 1
69 . 8 PHE HB2 H 2.95 0.01 1
70 . 8 PHE HB3 H 2.81 0.01 1
71 . 8 PHE HD1 H 6.80 0.01 1
72 . 8 PHE HD2 H 6.80 0.01 1
73 . 8 PHE HE1 H 7.05 0.01 1
74 . 8 PHE HE2 H 7.05 0.01 1
75 . 8 PHE HZ H 6.87 0.01 1
76 . 8 PHE C C 174.04 0.15 1
77 . 8 PHE CA C 57.34 0.15 1
78 . 8 PHE CB C 40.94 0.15 1
79 . 8 PHE N N 126.69 0.15 1
80 . 9 THR H H 7.99 0.01 1
81 . 9 THR HA H 4.37 0.01 1
82 . 9 THR HB H 4.75 0.01 1
83 . 9 THR C C 172.01 0.15 1
84 . 9 THR CA C 59.58 0.15 1
85 . 9 THR CB C 68.44 0.15 1
86 . 9 THR N N 110.88 0.15 1
87 . 10 SER H H 7.61 0.01 1
88 . 10 SER HA H 5.12 0.01 1
89 . 10 SER HB2 H 3.71 0.01 2
90 . 10 SER HB3 H 3.46 0.01 2
91 . 10 SER CA C 56.78 0.15 1
92 . 10 SER CB C 65.25 0.15 1
93 . 10 SER N N 113.58 0.15 1
94 . 11 PRO HA H 4.80 0.01 1
95 . 11 PRO HB2 H 2.78 0.01 1
96 . 11 PRO HB3 H 1.93 0.01 1
97 . 11 PRO HG2 H 1.65 0.01 1
98 . 11 PRO HG3 H 1.65 0.01 1
99 . 11 PRO HD2 H 3.28 0.01 1
100 . 11 PRO HD3 H 3.14 0.01 1
101 . 11 PRO C C 176.30 0.15 1
102 . 11 PRO CA C 63.87 0.15 1
103 . 12 THR H H 8.23 0.01 1
104 . 12 THR HA H 4.41 0.01 1
105 . 12 THR HB H 3.82 0.01 1
106 . 12 THR HG2 H 1.62 0.01 1
107 . 12 THR C C 177.10 0.15 1
108 . 12 THR CA C 58.44 0.15 1
109 . 12 THR CB C 63.87 0.15 1
110 . 12 THR N N 115.12 0.15 1
111 . 13 CYS H H 8.10 0.01 1
112 . 13 CYS HA H 4.31 0.01 1
113 . 13 CYS HB2 H 3.87 0.01 1
114 . 13 CYS HB3 H 3.87 0.01 1
115 . 13 CYS CA C 57.02 0.15 1
116 . 13 CYS CB C 30.02 0.15 1
117 . 13 CYS N N 124.76 0.15 1
118 . 14 PRO C C 174.18 0.15 1
119 . 15 TYR H H 9.25 0.01 1
120 . 15 TYR HA H 4.99 0.01 1
121 . 15 TYR HB2 H 2.99 0.01 1
122 . 15 TYR HB3 H 2.99 0.01 1
123 . 15 TYR HD1 H 7.05 0.01 1
124 . 15 TYR HD2 H 7.05 0.01 1
125 . 15 TYR HE1 H 6.87 0.01 1
126 . 15 TYR HE2 H 6.87 0.01 1
127 . 15 TYR C C 177.89 0.15 1
128 . 15 TYR CA C 59.58 0.15 1
129 . 15 TYR CB C 40.91 0.15 1
130 . 15 TYR N N 112.04 0.15 1
131 . 16 CYS H H 7.47 0.01 1
132 . 16 CYS HA H 4.27 0.01 1
133 . 16 CYS HB2 H 2.43 0.01 2
134 . 16 CYS HB3 H 2.15 0.01 2
135 . 16 CYS CA C 56.09 0.15 1
136 . 16 CYS CB C 30.00 0.15 1
137 . 16 CYS N N 116.67 0.15 1
138 . 17 PRO HA H 4.52 0.01 1
139 . 17 PRO HB2 H 1.97 0.01 1
140 . 17 PRO HB3 H 1.97 0.01 1
141 . 17 PRO HG2 H 1.27 0.01 1
142 . 17 PRO HG3 H 1.27 0.01 1
143 . 17 PRO HD2 H 3.90 0.01 2
144 . 17 PRO HD3 H 3.77 0.01 2
145 . 17 PRO C C 176.70 0.15 1
146 . 17 PRO CA C 66.68 0.15 1
147 . 18 MET H H 7.54 0.01 1
148 . 18 MET HA H 4.29 0.01 1
149 . 18 MET HB2 H 2.37 0.01 2
150 . 18 MET HB3 H 2.16 0.01 2
151 . 18 MET HG2 H 2.71 0.01 2
152 . 18 MET HG3 H 2.65 0.01 2
153 . 18 MET HE H 1.14 0.01 1
154 . 18 MET C C 178.45 0.15 1
155 . 18 MET CA C 59.27 0.15 1
156 . 18 MET CB C 32.39 0.15 1
157 . 18 MET N N 115.89 0.15 1
158 . 19 ALA H H 7.72 0.01 1
159 . 19 ALA HA H 4.10 0.01 1
160 . 19 ALA HB H 1.40 0.01 1
161 . 19 ALA C C 177.88 0.15 1
162 . 19 ALA CA C 54.89 0.15 1
163 . 19 ALA CB C 18.11 0.15 1
164 . 19 ALA N N 122.06 0.15 1
165 . 20 ILE H H 8.10 0.01 1
166 . 20 ILE HA H 3.49 0.01 1
167 . 20 ILE HB H 1.97 0.01 1
168 . 20 ILE HG12 H 0.84 0.01 1
169 . 20 ILE HG13 H 0.84 0.01 1
170 . 20 ILE HG2 H 0.74 0.01 1
171 . 20 ILE C C 179.42 0.15 1
172 . 20 ILE CA C 63.85 0.15 1
173 . 20 ILE CB C 36.74 0.15 1
174 . 20 ILE N N 116.67 0.15 1
175 . 21 GLU H H 8.08 0.01 1
176 . 21 GLU HA H 4.12 0.01 1
177 . 21 GLU HB2 H 2.16 0.01 1
178 . 21 GLU HB3 H 2.16 0.01 1
179 . 21 GLU HG2 H 2.43 0.01 1
180 . 21 GLU HG3 H 2.30 0.01 1
181 . 21 GLU C C 179.51 0.15 1
182 . 21 GLU CA C 59.91 0.15 1
183 . 21 GLU CB C 29.36 0.15 1
184 . 21 GLU N N 118.59 0.15 1
185 . 22 VAL H H 7.65 0.01 1
186 . 22 VAL HA H 4.03 0.01 1
187 . 22 VAL HB H 2.11 0.01 1
188 . 22 VAL HG1 H 1.03 0.01 1
189 . 22 VAL HG2 H 1.03 0.01 1
190 . 22 VAL C C 177.80 0.15 1
191 . 22 VAL CA C 65.56 0.15 1
192 . 22 VAL CB C 31.77 0.15 1
193 . 22 VAL N N 116.28 0.15 1
194 . 23 VAL H H 7.75 0.01 1
195 . 23 VAL HA H 3.71 0.01 1
196 . 23 VAL HB H 2.21 0.01 1
197 . 23 VAL HG1 H 0.79 0.01 2
198 . 23 VAL HG2 H 0.89 0.01 2
199 . 23 VAL C C 177.88 0.15 1
200 . 23 VAL CA C 66.76 0.15 1
201 . 23 VAL CB C 30.93 0.15 1
202 . 23 VAL N N 122.06 0.15 1
203 . 24 ASP H H 8.82 0.01 1
204 . 24 ASP HA H 4.52 0.01 1
205 . 24 ASP HB2 H 2.93 0.01 2
206 . 24 ASP HB3 H 2.57 0.01 2
207 . 24 ASP C C 180.61 0.15 1
208 . 24 ASP CA C 57.64 0.15 1
209 . 24 ASP CB C 39.35 0.15 1
210 . 24 ASP N N 123.22 0.15 1
211 . 25 GLU H H 8.26 0.01 1
212 . 25 GLU HA H 4.15 0.01 1
213 . 25 GLU HB2 H 2.26 0.01 1
214 . 25 GLU HB3 H 1.59 0.01 1
215 . 25 GLU HG2 H 2.56 0.01 1
216 . 25 GLU HG3 H 2.56 0.01 1
217 . 25 GLU C C 179.93 0.15 1
218 . 25 GLU CA C 59.88 0.15 1
219 . 25 GLU CB C 28.78 0.15 1
220 . 25 GLU N N 121.68 0.15 1
221 . 26 ALA H H 8.38 0.01 1
222 . 26 ALA HA H 4.10 0.01 1
223 . 26 ALA HB H 1.51 0.01 1
224 . 26 ALA C C 179.00 0.15 1
225 . 26 ALA CA C 55.01 0.15 1
226 . 26 ALA CB C 16.79 0.15 1
227 . 26 ALA N N 123.22 0.15 1
228 . 27 LYS H H 8.66 0.01 1
229 . 27 LYS HA H 4.09 0.01 1
230 . 27 LYS HB2 H 1.92 0.01 1
231 . 27 LYS HB3 H 1.68 0.01 1
232 . 27 LYS HG2 H 1.10 0.01 1
233 . 27 LYS HG3 H 1.10 0.01 1
234 . 27 LYS HD2 H 1.42 0.01 1
235 . 27 LYS HD3 H 1.42 0.01 1
236 . 27 LYS HE2 H 2.29 0.01 1
237 . 27 LYS HE3 H 2.29 0.01 1
238 . 27 LYS HZ H 7.27 0.01 1
239 . 27 LYS C C 175.38 0.15 1
240 . 27 LYS CA C 58.35 0.15 1
241 . 27 LYS CB C 31.50 0.15 1
242 . 27 LYS N N 120.91 0.15 1
243 . 28 LYS H H 7.81 0.01 1
244 . 28 LYS HA H 4.02 0.01 1
245 . 28 LYS HB2 H 1.73 0.01 1
246 . 28 LYS HB3 H 1.58 0.01 1
247 . 28 LYS HG2 H 1.27 0.01 1
248 . 28 LYS HG3 H 1.27 0.01 1
249 . 28 LYS HD2 H 1.42 0.01 1
250 . 28 LYS HD3 H 1.42 0.01 1
251 . 28 LYS HE2 H 2.00 0.01 1
252 . 28 LYS HE3 H 2.00 0.01 1
253 . 28 LYS HZ H 7.52 0.01 1
254 . 28 LYS C C 177.87 0.15 1
255 . 28 LYS CA C 59.44 0.15 1
256 . 28 LYS CB C 32.30 0.15 1
257 . 28 LYS N N 120.14 0.15 1
258 . 29 GLU H H 7.61 0.01 1
259 . 29 GLU HA H 4.01 0.01 1
260 . 29 GLU HB2 H 1.42 0.01 1
261 . 29 GLU HB3 H 1.26 0.01 1
262 . 29 GLU HG2 H 1.74 0.01 1
263 . 29 GLU HG3 H 1.74 0.01 1
264 . 29 GLU C C 177.72 0.15 1
265 . 29 GLU CA C 58.29 0.15 1
266 . 29 GLU CB C 30.14 0.15 1
267 . 29 GLU N N 118.21 0.15 1
268 . 30 PHE H H 8.77 0.01 1
269 . 30 PHE HA H 4.38 0.01 1
270 . 30 PHE HB2 H 2.98 0.01 1
271 . 30 PHE HB3 H 2.63 0.01 1
272 . 30 PHE HD1 H 6.69 0.01 1
273 . 30 PHE HD2 H 6.69 0.01 1
274 . 30 PHE HE1 H 7.20 0.01 1
275 . 30 PHE HE2 H 7.20 0.01 1
276 . 30 PHE HZ H 6.97 0.01 1
277 . 30 PHE C C 173.58 0.15 1
278 . 30 PHE CA C 59.39 0.15 1
279 . 30 PHE CB C 40.74 0.15 1
280 . 30 PHE N N 113.58 0.15 1
281 . 31 GLY H H 8.30 0.01 1
282 . 31 GLY HA2 H 3.93 0.01 2
283 . 31 GLY HA3 H 3.31 0.01 2
284 . 31 GLY C C 175.63 0.15 1
285 . 31 GLY CA C 47.39 0.15 1
286 . 31 GLY N N 111.63 0.15 1
287 . 32 ASP H H 8.85 0.01 1
288 . 32 ASP HA H 4.51 0.01 1
289 . 32 ASP HB2 H 2.80 0.01 2
290 . 32 ASP HB3 H 2.35 0.01 2
291 . 32 ASP C C 176.73 0.15 1
292 . 32 ASP CA C 55.29 0.15 1
293 . 32 ASP CB C 39.98 0.15 1
294 . 32 ASP N N 125.53 0.15 1
295 . 33 LYS H H 7.92 0.01 1
296 . 33 LYS HA H 4.28 0.01 1
297 . 33 LYS HB2 H 2.11 0.01 2
298 . 33 LYS HB3 H 1.91 0.01 2
299 . 33 LYS HG2 H 1.52 0.01 1
300 . 33 LYS HG3 H 1.52 0.01 1
301 . 33 LYS HD2 H 1.72 0.01 2
302 . 33 LYS HD3 H 1.73 0.01 2
303 . 33 LYS HE2 H 2.58 0.01 1
304 . 33 LYS HE3 H 2.58 0.01 1
305 . 33 LYS HZ H 7.49 0.01 1
306 . 33 LYS C C 176.56 0.15 1
307 . 33 LYS CA C 57.98 0.15 1
308 . 33 LYS CB C 33.39 0.15 1
309 . 33 LYS N N 117.44 0.15 1
310 . 34 ILE H H 7.60 0.01 1
311 . 34 ILE HA H 5.34 0.01 1
312 . 34 ILE HB H 1.68 0.01 1
313 . 34 ILE HG12 H 1.80 0.01 1
314 . 34 ILE HG13 H 1.80 0.01 1
315 . 34 ILE HD1 H 0.48 0.01 1
316 . 34 ILE C C 176.87 0.15 1
317 . 34 ILE CA C 58.27 0.15 1
318 . 34 ILE CB C 41.51 0.15 1
319 . 34 ILE N N 108.18 0.15 1
320 . 35 ASP H H 8.52 0.01 1
321 . 35 ASP HA H 4.95 0.01 1
322 . 35 ASP HB2 H 2.69 0.01 2
323 . 35 ASP HB3 H 2.37 0.01 2
324 . 35 ASP C C 174.43 0.15 1
325 . 35 ASP CA C 52.90 0.15 1
326 . 35 ASP CB C 44.12 0.15 1
327 . 35 ASP N N 122.06 0.15 1
328 . 36 VAL H H 8.55 0.01 1
329 . 36 VAL HA H 4.76 0.01 1
330 . 36 VAL HB H 1.91 0.01 1
331 . 36 VAL HG1 H 0.86 0.01 1
332 . 36 VAL HG2 H 0.70 0.01 1
333 . 36 VAL C C 174.98 0.15 1
334 . 36 VAL CA C 61.32 0.15 1
335 . 36 VAL CB C 33.96 0.15 1
336 . 36 VAL N N 123.99 0.15 1
337 . 37 GLU H H 8.91 0.01 1
338 . 37 GLU HA H 4.60 0.01 1
339 . 37 GLU HB2 H 1.91 0.01 2
340 . 37 GLU HB3 H 1.80 0.01 2
341 . 37 GLU HG2 H 2.21 0.01 2
342 . 37 GLU HG3 H 2.13 0.01 2
343 . 37 GLU C C 174.13 0.15 1
344 . 37 GLU CA C 54.76 0.15 1
345 . 37 GLU CB C 32.48 0.15 1
346 . 37 GLU N N 129.01 0.15 1
347 . 38 LYS H H 8.63 0.01 1
348 . 38 LYS HA H 4.79 0.01 1
349 . 38 LYS HB2 H 1.72 0.01 2
350 . 38 LYS HB3 H 1.61 0.01 2
351 . 38 LYS HG2 H 0.95 0.01 1
352 . 38 LYS HG3 H 0.95 0.01 1
353 . 38 LYS HD2 H 1.24 0.01 1
354 . 38 LYS HD3 H 1.24 0.01 1
355 . 38 LYS HE2 H 3.28 0.01 2
356 . 38 LYS HE3 H 3.14 0.01 2
357 . 38 LYS HZ H 7.75 0.01 1
358 . 38 LYS C C 175.57 0.15 1
359 . 38 LYS CA C 55.42 0.15 1
360 . 38 LYS CB C 32.73 0.15 1
361 . 38 LYS N N 125.92 0.15 1
362 . 39 ILE H H 9.17 0.01 1
363 . 39 ILE HA H 4.14 0.01 1
364 . 39 ILE HB H 1.25 0.01 1
365 . 39 ILE HG12 H 0.93 0.01 1
366 . 39 ILE HG13 H 0.93 0.01 1
367 . 39 ILE HD1 H 0.87 0.01 1
368 . 39 ILE C C 173.76 0.15 1
369 . 39 ILE CA C 60.90 0.15 1
370 . 39 ILE CB C 40.94 0.15 1
371 . 39 ILE N N 127.85 0.15 1
372 . 40 ASP H H 8.84 0.01 1
373 . 40 ASP HA H 4.99 0.01 1
374 . 40 ASP HB2 H 2.86 0.01 2
375 . 40 ASP HB3 H 2.34 0.01 2
376 . 40 ASP C C 178.69 0.15 1
377 . 40 ASP CA C 52.11 0.15 1
378 . 40 ASP CB C 41.80 0.15 1
379 . 40 ASP N N 128.62 0.15 1
380 . 41 ILE H H 9.02 0.01 1
381 . 41 ILE HA H 3.86 0.01 1
382 . 41 ILE HB H 1.87 0.01 1
383 . 41 ILE HG12 H 1.68 0.01 2
384 . 41 ILE HG13 H 1.14 0.01 2
385 . 41 ILE HG2 H 0.79 0.01 1
386 . 41 ILE HD1 H 0.63 0.01 1
387 . 41 ILE C C 176.68 0.15 1
388 . 41 ILE CA C 63.60 0.15 1
389 . 41 ILE CB C 38.15 0.15 1
390 . 41 ILE N N 121.29 0.15 1
391 . 42 MET H H 9.21 0.01 1
392 . 42 MET HA H 4.57 0.01 1
393 . 42 MET HB2 H 2.54 0.01 2
394 . 42 MET HB3 H 2.25 0.01 2
395 . 42 MET HG2 H 2.78 0.01 1
396 . 42 MET HG3 H 2.78 0.01 1
397 . 42 MET HE H 2.14 0.01 1
398 . 42 MET C C 177.82 0.15 1
399 . 42 MET CA C 55.61 0.15 1
400 . 42 MET CB C 30.58 0.15 1
401 . 42 MET N N 118.59 0.15 1
402 . 43 VAL H H 7.71 0.01 1
403 . 43 VAL HA H 4.05 0.01 1
404 . 43 VAL HB H 2.18 0.01 1
405 . 43 VAL HG1 H 0.96 0.01 1
406 . 43 VAL HG2 H 0.96 0.01 1
407 . 43 VAL C C 176.01 0.15 1
408 . 43 VAL CA C 63.75 0.15 1
409 . 43 VAL CB C 33.51 0.15 1
410 . 43 VAL N N 118.98 0.15 1
411 . 44 ASP H H 8.28 0.01 1
412 . 44 ASP HA H 4.97 0.01 1
413 . 44 ASP HB2 H 2.84 0.01 2
414 . 44 ASP HB3 H 2.45 0.01 2
415 . 44 ASP C C 175.13 0.15 1
416 . 44 ASP CA C 53.26 0.15 1
417 . 44 ASP CB C 41.61 0.15 1
418 . 44 ASP N N 121.68 0.15 1
419 . 45 ARG H H 8.19 0.01 1
420 . 45 ARG HA H 4.34 0.01 1
421 . 45 ARG HB2 H 1.96 0.01 2
422 . 45 ARG HB3 H 1.83 0.01 2
423 . 45 ARG HG2 H 1.64 0.0 1
424 . 45 ARG HG3 H 1.64 0.01 1
425 . 45 ARG HD2 H 3.24 0.01 1
426 . 45 ARG HD3 H 3.24 0.01 1
427 . 45 ARG C C 178.08 0.15 1
428 . 45 ARG CA C 57.15 0.15 1
429 . 45 ARG CB C 31.07 0.15 1
430 . 45 ARG N N 121.29 0.15 1
431 . 46 GLU H H 8.44 0.15 1
432 . 46 GLU HA H 3.94 0.01 1
433 . 46 GLU HB2 H 2.08 0.01 2
434 . 46 GLU HB3 H 1.95 0.01 2
435 . 46 GLU HG2 H 2.36 0.01 1
436 . 46 GLU HG3 H 2.12 0.01 1
437 . 46 GLU C C 179.23 0.15 1
438 . 46 GLU CA C 60.57 0.15 1
439 . 46 GLU CB C 29.22 0.15 1
440 . 46 GLU N N 118.21 0.15 1
441 . 47 LYS H H 8.38 0.01 1
442 . 47 LYS HA H 3.99 0.01 1
443 . 47 LYS HB2 H 1.90 0.01 2
444 . 47 LYS HB3 H 1.65 0.01 2
445 . 47 LYS HG2 H 1.02 0.01 1
446 . 47 LYS HG3 H 1.02 0.01 1
447 . 47 LYS HD2 H 1.38 0.01 1
448 . 47 LYS HD3 H 1.38 0.01 1
449 . 47 LYS HZ H 7.50 0.01 1
450 . 47 LYS C C 177.70 0.15 1
451 . 47 LYS CA C 58.17 0.15 1
452 . 47 LYS CB C 31.91 0.15 1
453 . 47 LYS N N 119.36 0.15 1
454 . 48 ALA H H 7.91 0.01 1
455 . 48 ALA HA H 3.62 0.01 1
456 . 48 ALA HB H 1.41 0.01 1
457 . 48 ALA C C 179.95 0.15 1
458 . 48 ALA CA C 55.19 0.15 1
459 . 48 ALA CB C 17.83 0.15 1
460 . 48 ALA N N 120.52 0.15 1
461 . 49 ILE H H 7.99 0.01 1
462 . 49 ILE HA H 3.80 0.01 1
463 . 49 ILE HB H 1.92 0.01 1
464 . 49 ILE HG12 H 0.86 0.01 1
465 . 49 ILE HG13 H 0.86 0.01 1
466 . 49 ILE C C 175.13 0.15 1
467 . 49 ILE CA C 64.28 0.15 1
468 . 49 ILE CB C 37.91 0.15 1
469 . 49 ILE N N 117.82 0.15 1
470 . 50 GLU H H 8.00 0.01 1
471 . 50 GLU HA H 3.93 0.01 1
472 . 50 GLU HB2 H 2.04 0.01 2
473 . 50 GLU HB3 H 1.90 0.01 2
474 . 50 GLU HG2 H 2.26 0.01 1
475 . 50 GLU HG3 H 2.26 0.01 1
476 . 50 GLU C C 178.83 0.15 1
477 . 50 GLU CA C 59.44 0.15 1
478 . 50 GLU CB C 29.27 0.15 1
479 . 50 GLU N N 122.84 0.15 1
480 . 51 TYR H H 7.97 0.01 1
481 . 51 TYR HA H 4.61 0.01 1
482 . 51 TYR HB2 H 2.97 0.01 2
483 . 51 TYR HB3 H 2.54 0.01 2
484 . 51 TYR HD1 H 6.81 0.01 1
485 . 51 TYR HD2 H 6.81 0.01 1
486 . 51 TYR C C 176.68 0.15 1
487 . 51 TYR CA C 56.80 0.15 1
488 . 51 TYR CB C 38.43 0.15 1
489 . 51 TYR N N 115.12 0.15 1
490 . 52 GLY H H 7.93 0.01 1
491 . 52 GLY HA2 H 3.29 0.01 2
492 . 52 GLY HA3 H 3.85 0.01 2
493 . 52 GLY C C 175.20 0.15 1
494 . 52 GLY CA C 46.47 0.15 1
495 . 52 GLY N N 110.50 0.15 1
496 . 53 LEU H H 7.79 0.01 1
497 . 53 LEU HA H 4.01 0.01 1
498 . 53 LEU HB2 H 1.50 0.01 1
499 . 53 LEU HB3 H 1.50 0.01 1
500 . 53 LEU HG H 1.45 0.01 1
501 . 53 LEU HD1 H 1.25 0.01 1
502 . 53 LEU HD2 H 1.25 0.01 1
503 . 53 LEU C C 176.84 0.15 1
504 . 53 LEU CA C 55.50 0.15 1
505 . 53 LEU CB C 42.64 0.15 1
506 . 53 LEU N N 117.44 0.15 1
507 . 54 MET H H 8.38 0.01 1
508 . 54 MET HA H 4.59 0.01 1
509 . 54 MET HB2 H 2.47 0.01 1
510 . 54 MET HB3 H 2.47 0.01 1
511 . 54 MET HG2 H 1.98 0.01 1
512 . 54 MET C C 174.87 0.15 1
513 . 54 MET CA C 59.61 0.15 1
514 . 54 MET CB C 32.80 0.15 1
515 . 54 MET N N 122.06 0.15 1
516 . 55 ALA H H 7.57 0.01 1
517 . 55 ALA HA H 4.55 0.01 1
518 . 55 ALA HB H 1.25 0.01 1
519 . 55 ALA C C 174.38 0.15 1
520 . 55 ALA CA C 51.49 0.15 1
521 . 55 ALA CB C 21.91 0.15 1
522 . 55 ALA N N 121.68 0.15 1
523 . 56 VAL H H 7.69 0.01 1
524 . 56 VAL HA H 4.43 0.01 1
525 . 56 VAL HB H 2.30 0.01 1
526 . 56 VAL HG1 H 0.93 0.01 1
527 . 56 VAL HG2 H 0.79 0.01 1
528 . 56 VAL CA C 57.95 0.15 1
529 . 56 VAL CB C 33.87 0.15 1
530 . 56 VAL N N 107.41 0.15 1
531 . 57 PRO HA H 4.60 0.01 1
532 . 57 PRO HB2 H 1.91 0.01 1
533 . 57 PRO HB3 H 1.91 0.01 1
534 . 57 PRO HG2 H 1.80 0.01 1
535 . 57 PRO HD2 H 3.14 0.01 2
536 . 57 PRO HD3 H 2.99 0.01 2
537 . 57 PRO C C 174.77 0.15 1
538 . 57 PRO CA C 61.57 0.15 1
539 . 57 PRO CB C 35.24 0.15 1
540 . 58 ALA H H 8.21 0.01 1
541 . 58 ALA HA H 5.39 0.01 1
542 . 58 ALA HB H 1.61 0.01 1
543 . 58 ALA C C 175.83 0.01 1
544 . 58 ALA CA C 51.26 0.15 1
545 . 58 ALA CB C 23.87 0.15 1
546 . 58 ALA N N 119.75 0.15 1
547 . 59 ILE H H 9.42 0.01 1
548 . 59 ILE HA H 5.44 0.01 1
549 . 59 ILE HB H 1.98 0.01 1
550 . 59 ILE HG12 H 1.05 0.01 1
551 . 59 ILE HG13 H 1.05 0.01 1
552 . 59 ILE HD1 H 0.95 0.01 1
553 . 59 ILE C C 176.11 0.15 1
554 . 59 ILE CA C 60.19 0.15 1
555 . 59 ILE CB C 42.64 0.15 1
556 . 59 ILE N N 120.14 0.15 1
557 . 60 ALA H H 9.95 0.01 1
558 . 60 ALA HA H 5.41 0.01 1
559 . 60 ALA HB H 1.28 0.01 1
560 . 60 ALA C C 175.87 0.15 1
561 . 60 ALA CA C 50.01 0.15 1
562 . 60 ALA CB C 21.78 0.15 1
563 . 60 ALA N N 131.63 0.15 1
564 . 61 ILE H H 8.66 0.01 1
565 . 61 ILE HA H 4.09 0.01 1
566 . 61 ILE HB H 1.71 0.01 1
567 . 61 ILE HG12 H 1.45 0.01 2
568 . 61 ILE HG13 H 1.14 0.01 2
569 . 61 ILE HG2 H 0.80 0.01 1
570 . 61 ILE HD1 H 0.65 0.01 1
571 . 61 ILE C C 171.97 0.15 1
572 . 61 ILE CA C 59.99 0.15 1
573 . 61 ILE CB C 39.89 0.15 1
574 . 61 ILE N N 120.52 0.15 1
575 . 62 ASN H H 9.98 0.01 1
576 . 62 ASN HA H 4.63 0.01 1
577 . 62 ASN HB2 H 3.21 0.01 1
578 . 62 ASN HB3 H 2.64 0.01 1
579 . 62 ASN HD21 H 7.60 0.01 1
580 . 62 ASN HD22 H 7.16 0.01 1
581 . 62 ASN C C 172.78 0.15 1
582 . 62 ASN CA C 53.92 0.15 1
583 . 62 ASN CB C 37.06 0.15 1
584 . 62 ASN N N 127.85 0.15 1
585 . 63 GLY H H 9.39 0.15 1
586 . 63 GLY HA2 H 4.00 0.01 1
587 . 63 GLY HA3 H 4.05 0.01 1
588 . 63 GLY C C 173.65 0.15 1
589 . 63 GLY CA C 45.52 0.15 1
590 . 63 GLY N N 127.46 0.15 1
591 . 64 VAL H H 7.33 0.01 1
592 . 64 VAL HA H 4.12 0.01 1
593 . 64 VAL HB H 1.90 0.01 1
594 . 64 VAL HG1 H 0.88 0.01 1
595 . 64 VAL HG2 H 0.79 0.01 1
596 . 64 VAL C C 176.15 0.15 1
597 . 64 VAL CA C 60.67 0.15 1
598 . 64 VAL CB C 35.05 0.15 1
599 . 64 VAL N N 118.59 0.15 1
600 . 65 VAL H H 9.03 0.01 1
601 . 65 VAL HA H 4.31 0.01 1
602 . 65 VAL HB H 1.89 0.01 1
603 . 65 VAL HG1 H 0.84 0.01 1
604 . 65 VAL HG2 H 0.80 0.01 1
605 . 65 VAL C C 175.15 0.15 1
606 . 65 VAL CA C 65.60 0.15 1
607 . 65 VAL CB C 30.66 0.15 1
608 . 65 VAL N N 127.85 0.15 1
609 . 66 ARG H H 8.69 0.01 1
610 . 66 ARG HA H 4.34 0.01 1
611 . 66 ARG HB2 H 1.25 0.01 1
612 . 66 ARG HB3 H 1.25 0.01 1
613 . 66 ARG HG2 H 1.12 0.01 1
614 . 66 ARG HG3 H 1.12 0.01 1
615 . 66 ARG HE H 7.17 0.01 1
616 . 66 ARG C C 175.02 0.15 1
617 . 66 ARG CA C 53.96 0.15 1
618 . 66 ARG CB C 32.53 0.15 1
619 . 66 ARG N N 128.23 0.15 1
620 . 67 PHE H H 7.76 0.01 1
621 . 67 PHE HA H 5.04 0.01 1
622 . 67 PHE HB2 H 3.23 0.01 1
623 . 67 PHE HB3 H 2.58 0.01 1
624 . 67 PHE HD1 H 7.04 0.01 1
625 . 67 PHE HD2 H 7.04 0.01 1
626 . 67 PHE HE1 H 7.18 0.01 1
627 . 67 PHE HE2 H 7.18 0.01 1
628 . 67 PHE HZ H 7.04 0.01 1
629 . 67 PHE C C 174.97 0.15 1
630 . 67 PHE CA C 56.82 0.15 1
631 . 67 PHE CB C 42.69 0.15 1
632 . 67 PHE N N 114.35 0.15 1
633 . 68 VAL H H 8.69 0.01 1
634 . 68 VAL HA H 4.49 0.01 1
635 . 68 VAL HB H 1.97 0.01 1
636 . 68 VAL HG1 H 0.83 0.01 1
637 . 68 VAL HG2 H 0.76 0.01 1
638 . 68 VAL C C 176.20 0.15 1
639 . 68 VAL CA C 62.87 0.15 1
640 . 68 VAL CB C 32.25 0.15 1
641 . 68 VAL N N 123.61 0.15 1
642 . 69 GLY H H 8.21 0.01 1
643 . 69 GLY HA2 H 4.32 0.01 2
644 . 69 GLY HA3 H 3.82 0.01 2
645 . 69 GLY C C 174.35 0.15 1
646 . 69 GLY CA C 43.75 0.15 1
647 . 69 GLY N N 114.35 0.15 1
648 . 70 ALA H H 8.78 0.01 1
649 . 70 ALA HA H 4.48 0.01 1
650 . 70 ALA HB H 1.42 0.01 1
651 . 70 ALA CA C 49.94 0.15 1
652 . 70 ALA CB C 22.67 0.15 1
653 . 70 ALA N N 121.29 0.15 1
654 . 71 PRO HA H 4.00 0.01 1
655 . 71 PRO HB2 H 1.90 0.01 1
656 . 71 PRO HB3 H 1.90 0.01 1
657 . 71 PRO HG2 H 1.47 0.01 1
658 . 71 PRO HG3 H 1.47 0.01 1
659 . 71 PRO HD2 H 3.77 0.01 1
660 . 71 PRO HD3 H 3.24 0.01 1
661 . 71 PRO C C 175.56 0.15 1
662 . 71 PRO CA C 61.49 0.15 1
663 . 71 PRO CB C 31.31 0.15 1
664 . 72 SER H H 8.61 0.01 1
665 . 72 SER HA H 4.36 0.01 1
666 . 72 SER HB2 H 3.96 0.01 1
667 . 72 SER HB3 H 3.57 0.01 1
668 . 72 SER C C 174.98 0.15 1
669 . 72 SER CA C 57.05 0.15 1
670 . 72 SER CB C 65.13 0.15 1
671 . 72 SER N N 113.97 0.15 1
672 . 73 ARG H H 8.86 0.01 1
673 . 73 ARG HA H 3.45 0.01 1
674 . 73 ARG HB2 H 1.91 0.01 1
675 . 73 ARG HB3 H 1.91 0.01 1
676 . 73 ARG HG2 H 1.37 0.01 1
677 . 73 ARG HG3 H 1.62 0.01 1
678 . 73 ARG HD2 H 3.39 0.01 1
679 . 73 ARG HD3 H 3.33 0.01 1
680 . 73 ARG C C 177.06 0.15 1
681 . 73 ARG CA C 59.84 0.15 1
682 . 73 ARG CB C 29.80 0.15 1
683 . 73 ARG N N 122.45 0.15 1
684 . 74 GLU H H 8.61 0.01 1
685 . 74 GLU HA H 3.75 0.01 1
686 . 74 GLU HB2 H 1.92 0.01 1
687 . 74 GLU HB3 H 1.92 0.01 1
688 . 74 GLU C C 179.57 0.15 1
689 . 74 GLU CA C 60.62 0.15 1
690 . 74 GLU CB C 28.81 0.15 1
691 . 74 GLU N N 115.89 0.15 1
692 . 75 GLU H H 7.75 0.01 1
693 . 75 GLU HA H 4.13 0.01 1
694 . 75 GLU HB2 H 2.13 0.01 1
695 . 75 GLU HB3 H 1.92 0.01 1
696 . 75 GLU HG2 H 2.38 0.01 1
697 . 75 GLU HG3 H 2.24 0.01 1
698 . 75 GLU C C 179.83 0.15 1
699 . 75 GLU CA C 58.89 0.15 1
700 . 75 GLU CB C 30.02 0.15 1
701 . 75 GLU N N 118.59 0.15 1
702 . 76 LEU H H 8.15 0.01 1
703 . 76 LEU HA H 4.13 0.01 1
704 . 76 LEU HB2 H 1.27 0.01 1
705 . 76 LEU HB3 H 1.27 0.01 1
706 . 76 LEU HG H 1.21 0.01 1
707 . 76 LEU HD1 H 0.95 0.01 2
708 . 76 LEU HD2 H 0.87 0.01 2
709 . 76 LEU C C 177.59 0.15 1
710 . 76 LEU CA C 57.91 0.15 1
711 . 76 LEU CB C 40.88 0.15 1
712 . 76 LEU N N 120.52 0.15 1
713 . 77 PHE H H 9.40 0.01 1
714 . 77 PHE HA H 4.34 0.01 1
715 . 77 PHE HB2 H 3.50 0.01 1
716 . 77 PHE HB3 H 3.29 0.01 1
717 . 77 PHE HD1 H 6.70 0.01 1
718 . 77 PHE HD2 H 6.70 0.01 1
719 . 77 PHE HE1 H 7.17 0.01 1
720 . 77 PHE HE2 H 7.17 0.01 1
721 . 77 PHE HZ H 6.70 0.01 1
722 . 77 PHE C C 178.74 0.15 1
723 . 77 PHE CA C 60.49 0.15 1
724 . 77 PHE CB C 36.65 0.15 1
725 . 77 PHE N N 119.75 0.15 1
726 . 78 GLU H H 8.11 0.01 1
727 . 78 GLU HA H 4.19 0.01 1
728 . 78 GLU HB2 H 2.18 0.01 1
729 . 78 GLU HB3 H 1.60 0.01 1
730 . 78 GLU HG2 H 2.50 0.01 1
731 . 78 GLU HG3 H 2.30 0.01 1
732 . 78 GLU C C 177.78 0.15 1
733 . 78 GLU CA C 59.75 0.15 1
734 . 78 GLU CB C 29.46 0.15 1
735 . 78 GLU N N 118.98 0.15 1
736 . 79 ALA H H 7.64 0.01 1
737 . 79 ALA HA H 4.31 0.01 1
738 . 79 ALA HB H 1.67 0.01 1
739 . 79 ALA C C 180.34 0.15 1
740 . 79 ALA CA C 54.89 0.15 1
741 . 79 ALA CB C 18.32 0.15 1
742 . 79 ALA N N 120.14 0.15 1
743 . 80 ILE H H 8.11 0.01 1
744 . 80 ILE HA H 3.28 0.01 1
745 . 80 ILE HB H 1.45 0.01 1
746 . 80 ILE HG2 H 0.46 0.01 1
747 . 80 ILE HD1 H -0.27 0.01 1
748 . 80 ILE C C 177.56 0.15 1
749 . 80 ILE CA C 66.23 0.15 1
750 . 80 ILE CB C 37.93 0.15 1
751 . 80 ILE N N 117.82 0.15 1
752 . 81 ASN H H 8.45 0.01 1
753 . 81 ASN HA H 4.37 0.01 1
754 . 81 ASN HB2 H 2.96 0.01 2
755 . 81 ASN HB3 H 2.69 0.01 2
756 . 81 ASN C C 177.23 0.15 1
757 . 81 ASN CA C 56.91 0.15 1
758 . 81 ASN CB C 38.79 0.15 1
759 . 81 ASN N N 117.82 0.15 1
760 . 82 ASP H H 8.06 0.01 1
761 . 82 ASP HA H 4.41 0.01 1
762 . 82 ASP HB2 H 2.05 0.01 1
763 . 82 ASP HB3 H 2.05 0.01 1
764 . 82 ASP C C 176.58 0.15 1
765 . 82 ASP CA C 51.73 0.15 1
766 . 82 ASP CB C 42.79 0.15 1
767 . 82 ASP N N 120.91 0.15 1
768 . 83 GLU H H 8.64 0.01 1
769 . 83 GLU HA H 4.50 0.01 1
770 . 83 GLU HB2 H 1.92 0.01 1
771 . 83 GLU HB3 H 1.92 0.01 1
772 . 83 GLU HG2 H 2.08 0.01 1
773 . 83 GLU HG3 H 2.08 0.01 1
774 . 83 GLU C C 174.25 0.15 1
775 . 83 GLU CA C 59.93 0.15 1
776 . 83 GLU CB C 32.54 0.15 1
777 . 83 GLU N N 124.38 0.15 1
778 . 84 MET H H 7.74 0.01 1
779 . 84 MET HA H 4.05 0.01 1
780 . 84 MET HB2 H 1.99 0.01 1
781 . 84 MET HB3 H 1.88 0.01 1
782 . 84 MET HG2 H 2.22 0.01 1
783 . 84 MET C C 176.85 0.15 1
784 . 84 MET CA C 57.02 0.15 1
785 . 84 MET CB C 29.88 0.15 1
786 . 84 MET N N 125.15 0.15 1
787 . 85 GLU H H 7.51 0.01 1
788 . 85 GLU HA H 4.38 0.01 1
789 . 85 GLU HB2 H 2.13 0.01 1
790 . 85 GLU HB3 H 2.13 0.01 1
791 . 85 GLU HG2 H 2.67 0.01 1
792 . 85 GLU HG3 H 2.52 0.01 1
793 . 85 GLU CA C 56.01 0.15 1
794 . 85 GLU CB C 33.91 0.15 1
795 . 85 GLU N N 118.21 0.15 1
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