data_7226
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution NMR Structure of Conserved protein MTH1368, Northeast Structural
Genomics Consortium Target TT821A
;
_BMRB_accession_number 7226
_BMRB_flat_file_name bmr7226.str
_Entry_type original
_Submission_date 2006-07-14
_Accession_date 2006-07-26
_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 G. . .
2 Lin Y. . .
3 Parish D. . .
4 Shen Y. . .
5 Sukumaran D. . .
6 Yee A. . .
7 Semesi A. . .
8 Arrowsmith C. . .
9 Szyperski T. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 593
"13C chemical shifts" 341
"15N chemical shifts" 106
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-03-04 original author .
stop_
_Original_release_date 2010-03-04
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution NMR Structure of Conserved protein MTH1368, Northeast Structural
Genomics Consortium Target TT821A
;
_Citation_status submitted
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Liu G. . .
2 Lin Y. . .
3 Parish D. . .
4 Shen Y. . .
5 Sukumaran D. . .
6 Yee A. . .
7 Semesi A. . .
8 Arrowsmith C. . .
9 Szyperski T. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
loop_
_Keyword
'Conserved protein MTH1368'
'GFT NMR'
Hydrolase
Metal-binding
Metalloprotease
NESG
'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM'
Protease
'PROTEIN STRUCTURE INITIATIVE'
PSI
'STRUCTURAL GENOMICS'
Transmembrane
'Zinc b'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_MTH1368
_Saveframe_category molecular_system
_Mol_system_name 'Conserved protein MTH1368'
_Abbreviation_common 'Conserved protein MTH1368'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Conserved protein MTH1368' $MTH1368
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_MTH1368
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Conserved protein MTH1368'
_Abbreviation_common 'Conserved protein MTH1368'
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 125
_Mol_residue_sequence
;
MGSSHHHHHHSSGRENLYFQ
GHQPDGVQIDSVVPGSPASK
VLTPGLVIESINGMPTSNLT
TYSAALKTISVGEVINITTD
QGTFHLKTGRNPNNSSRAYM
GIRTSNHLRVRDSVASVLGD
TLPFA
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLY 3 SER 4 SER 5 HIS
6 HIS 7 HIS 8 HIS 9 HIS 10 HIS
11 SER 12 SER 13 GLY 14 ARG 15 GLU
16 ASN 17 LEU 18 TYR 19 PHE 20 GLN
21 GLY 22 HIS 23 GLN 24 PRO 25 ASP
26 GLY 27 VAL 28 GLN 29 ILE 30 ASP
31 SER 32 VAL 33 VAL 34 PRO 35 GLY
36 SER 37 PRO 38 ALA 39 SER 40 LYS
41 VAL 42 LEU 43 THR 44 PRO 45 GLY
46 LEU 47 VAL 48 ILE 49 GLU 50 SER
51 ILE 52 ASN 53 GLY 54 MET 55 PRO
56 THR 57 SER 58 ASN 59 LEU 60 THR
61 THR 62 TYR 63 SER 64 ALA 65 ALA
66 LEU 67 LYS 68 THR 69 ILE 70 SER
71 VAL 72 GLY 73 GLU 74 VAL 75 ILE
76 ASN 77 ILE 78 THR 79 THR 80 ASP
81 GLN 82 GLY 83 THR 84 PHE 85 HIS
86 LEU 87 LYS 88 THR 89 GLY 90 ARG
91 ASN 92 PRO 93 ASN 94 ASN 95 SER
96 SER 97 ARG 98 ALA 99 TYR 100 MET
101 GLY 102 ILE 103 ARG 104 THR 105 SER
106 ASN 107 HIS 108 LEU 109 ARG 110 VAL
111 ARG 112 ASP 113 SER 114 VAL 115 ALA
116 SER 117 VAL 118 LEU 119 GLY 120 ASP
121 THR 122 LEU 123 PRO 124 PHE 125 ALA
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 2HGA "Solution Nmr Structure Of Conserved Protein Mth1368, Northeast Structural Genomics Consortium Target Tt821a" 100.00 125 100.00 100.00 4.36e-84
DBJ BAM70490 "peptidase [Methanothermobacter thermautotrophicus CaT2]" 82.40 385 98.06 98.06 3.98e-64
GB AAB85845 "conserved protein [Methanothermobacter thermautotrophicus str. Delta H]" 82.40 389 100.00 100.00 2.14e-65
REF NP_276484 "hypothetical protein MTH1368 [Methanothermobacter thermautotrophicus str. Delta H]" 82.40 389 100.00 100.00 2.14e-65
REF WP_010876980 "hypothetical protein [Methanothermobacter thermautotrophicus]" 82.40 389 100.00 100.00 2.14e-65
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$MTH1368 'Methanobacterium thermoautotrophicum' 145262 Archaea . 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
$MTH1368 'recombinant technology' 'Escherichia coli' Escherichia coli . .
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
$MTH1368 0.5 mM '[U-15N; U-13C]'
'TRIS BUFFER' . mM .
NaCl2 200 mM .
ZnSO4 10 uM .
NaN3 0.01 % .
bezamidine 1 mM .
inhibitor 1 x .
H2O 93 % .
D2O 7 % .
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Task
collection
stop_
_Details Varian
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2.3
loop_
_Task
processing
stop_
_Details 'Delaglio, F.'
save_
save_AUTOASSIGN
_Saveframe_category software
_Name AutoAssign
_Version 1.15.1
loop_
_Task
'data analysis'
stop_
_Details 'MOSELEY, H.'
save_
save_AUTOSTRUCTURE
_Saveframe_category software
_Name AutoStruct
_Version 2.0
loop_
_Task
'data analysis'
stop_
_Details 'HUANG, Y.J.'
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.1
loop_
_Task
'structure solution'
stop_
_Details GUNTERT
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.1
loop_
_Task
refinement
stop_
_Details
;
BRUNGER, ADAMS, CLORE, DELANO, GROS, GROSSE-KUNSTLEVE, JIANG, KUSZEWSKI, NILGES,
PANNU, READ, RICE, SIMONSON, WARREN.
;
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_SIMULTANEOUS_HETERONUCLEAR_RESOLVED_[1H,1H]-NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY'
_Sample_label $sample_1
save_
save_3D_HNCACB_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCACONH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCACONH'
_Sample_label $sample_1
save_
save_GFT_(4,3)D_HABCAB(CO)NHN_4
_Saveframe_category NMR_applied_experiment
_Experiment_name 'GFT (4,3)D HABCAB(CO)NHN'
_Sample_label $sample_1
save_
save_GFT_(4,3)D_HCCH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name 'GFT (4,3)D HCCH'
_Sample_label $sample_1
save_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCACONH'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_4
_Saveframe_category NMR_applied_experiment
_Experiment_name 'GFT (4,3)D HABCAB(CO)NHN'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_5
_Saveframe_category NMR_applied_experiment
_Experiment_name 'GFT (4,3)D HCCH'
_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 7.0 . pH
pressure 1 . atm
temperature 288 . 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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $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_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 'Conserved protein MTH1368'
_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 HE H 1.81 0.01 1
2 . 1 MET CE C 16.7 0.5 1
3 . 2 GLY CA C 45.3 0.5 1
4 . 2 GLY HA2 H 3.67 0.01 2
5 . 2 GLY HA3 H 4.11 0.01 2
6 . 3 SER N N 115.3 0.5 1
7 . 3 SER H H 7.70 0.01 1
8 . 15 GLU N N 121.0 0.5 1
9 . 15 GLU H H 8.56 0.01 1
10 . 15 GLU CA C 56.9 0.5 1
11 . 15 GLU HA H 4.07 0.01 1
12 . 15 GLU CB C 29.7 0.5 1
13 . 15 GLU HB2 H 1.82 0.01 2
14 . 15 GLU HB3 H 1.91 0.01 2
15 . 15 GLU CG C 36.0 0.5 1
16 . 15 GLU HG2 H 2.14 0.01 1
17 . 15 GLU HG3 H 2.14 0.01 1
18 . 16 ASN N N 118.6 0.5 1
19 . 16 ASN H H 8.31 0.01 1
20 . 16 ASN CA C 53.0 0.5 1
21 . 16 ASN HA H 4.53 0.01 1
22 . 16 ASN CB C 38.3 0.5 1
23 . 16 ASN HB2 H 2.59 0.01 2
24 . 16 ASN HB3 H 2.67 0.01 2
25 . 16 ASN ND2 N 112.6 0.5 1
26 . 16 ASN HD21 H 7.56 0.01 2
27 . 16 ASN HD22 H 6.88 0.01 2
28 . 17 LEU N N 121.8 0.5 1
29 . 17 LEU H H 8.00 0.01 1
30 . 17 LEU CA C 55.3 0.5 1
31 . 17 LEU HA H 4.09 0.01 1
32 . 17 LEU CB C 41.9 0.5 1
33 . 17 LEU HB2 H 1.22 0.01 2
34 . 17 LEU HB3 H 1.35 0.01 2
35 . 17 LEU CG C 26.6 0.5 1
36 . 17 LEU HG H 1.34 0.01 1
37 . 17 LEU HD1 H 0.73 0.01 2
38 . 17 LEU HD2 H 0.66 0.01 2
39 . 17 LEU CD1 C 24.9 0.5 1
40 . 17 LEU CD2 C 23.0 0.5 1
41 . 18 TYR N N 119.2 0.5 1
42 . 18 TYR H H 7.96 0.01 1
43 . 18 TYR CA C 57.6 0.5 1
44 . 18 TYR HA H 4.38 0.01 1
45 . 18 TYR CB C 38.2 0.5 1
46 . 18 TYR HB2 H 2.74 0.01 2
47 . 18 TYR HB3 H 2.84 0.01 2
48 . 18 TYR HD1 H 6.88 0.01 1
49 . 18 TYR HD2 H 6.88 0.01 1
50 . 18 TYR HE1 H 6.65 0.01 1
51 . 18 TYR HE2 H 6.65 0.01 1
52 . 18 TYR CD1 C 131.9 0.5 1
53 . 18 TYR CE1 C 117.3 0.5 1
54 . 19 PHE N N 121.1 0.5 1
55 . 19 PHE H H 7.96 0.01 1
56 . 19 PHE CA C 57.5 0.5 1
57 . 19 PHE HA H 4.42 0.01 1
58 . 19 PHE CB C 39.1 0.5 1
59 . 19 PHE HB2 H 2.88 0.01 2
60 . 19 PHE HB3 H 2.94 0.01 2
61 . 19 PHE HD1 H 7.08 0.01 1
62 . 19 PHE HD2 H 7.08 0.01 1
63 . 19 PHE HE1 H 7.17 0.01 1
64 . 19 PHE HE2 H 7.17 0.01 1
65 . 19 PHE CD1 C 130.8 0.5 1
66 . 19 PHE CE1 C 130.7 0.5 1
67 . 19 PHE CZ C 130.8 0.5 1
68 . 19 PHE HZ H 7.26 0.01 1
69 . 20 GLN N N 122.0 0.5 1
70 . 20 GLN H H 8.21 0.01 1
71 . 20 GLN CA C 55.7 0.5 1
72 . 20 GLN HA H 4.11 0.01 1
73 . 20 GLN CB C 29.0 0.5 1
74 . 20 GLN HB2 H 1.78 0.01 2
75 . 20 GLN HB3 H 1.94 0.01 2
76 . 20 GLN CG C 33.5 0.5 1
77 . 20 GLN HG2 H 2.15 0.01 1
78 . 20 GLN HG3 H 2.15 0.01 1
79 . 20 GLN NE2 N 112.3 0.5 1
80 . 20 GLN HE21 H 7.41 0.01 2
81 . 20 GLN HE22 H 6.79 0.01 2
82 . 21 GLY N N 108.7 0.5 1
83 . 21 GLY H H 7.73 0.01 1
84 . 21 GLY CA C 45.1 0.5 1
85 . 21 GLY HA2 H 3.83 0.01 2
86 . 21 GLY HA3 H 3.92 0.01 2
87 . 23 GLN CG C 33.1 0.5 1
88 . 23 GLN HG2 H 2.20 0.01 1
89 . 23 GLN HG3 H 2.20 0.01 1
90 . 23 GLN NE2 N 112.2 0.5 1
91 . 23 GLN HE21 H 7.47 0.01 2
92 . 23 GLN HE22 H 6.85 0.01 2
93 . 24 PRO CD C 50.4 0.5 1
94 . 24 PRO CA C 63.0 0.5 1
95 . 24 PRO HA H 4.73 0.01 1
96 . 24 PRO CB C 32.8 0.5 1
97 . 24 PRO HB2 H 2.20 0.01 2
98 . 24 PRO HB3 H 2.21 0.01 2
99 . 24 PRO CG C 30.1 0.5 1
100 . 24 PRO HG2 H 1.81 0.01 2
101 . 24 PRO HG3 H 1.96 0.01 2
102 . 24 PRO HD2 H 3.60 0.01 2
103 . 24 PRO HD3 H 3.71 0.01 2
104 . 25 ASP N N 123.5 0.5 1
105 . 25 ASP H H 8.77 0.01 1
106 . 25 ASP CA C 52.8 0.5 1
107 . 25 ASP HA H 4.77 0.01 1
108 . 25 ASP CB C 41.2 0.5 1
109 . 25 ASP HB2 H 2.71 0.01 2
110 . 25 ASP HB3 H 2.45 0.01 2
111 . 26 GLY N N 109.1 0.5 1
112 . 26 GLY H H 7.94 0.01 1
113 . 26 GLY CA C 44.0 0.5 1
114 . 26 GLY HA2 H 4.03 0.01 2
115 . 26 GLY HA3 H 4.42 0.01 2
116 . 27 VAL N N 112.0 0.5 1
117 . 27 VAL H H 7.93 0.01 1
118 . 27 VAL CA C 58.5 0.5 1
119 . 27 VAL HA H 4.77 0.01 1
120 . 27 VAL CB C 33.4 0.5 1
121 . 27 VAL HB H 1.44 0.01 1
122 . 27 VAL HG1 H 0.28 0.01 2
123 . 27 VAL HG2 H 0.34 0.01 2
124 . 27 VAL CG1 C 21.0 0.5 1
125 . 27 VAL CG2 C 19.4 0.5 1
126 . 28 GLN N N 124.6 0.5 1
127 . 28 GLN H H 9.06 0.01 1
128 . 28 GLN CA C 53.4 0.5 1
129 . 28 GLN HA H 4.79 0.01 1
130 . 28 GLN CB C 31.1 0.5 1
131 . 28 GLN HB2 H 1.55 0.01 2
132 . 28 GLN HB3 H 1.85 0.01 2
133 . 28 GLN CG C 33.6 0.5 1
134 . 28 GLN HG2 H 1.98 0.01 2
135 . 28 GLN HG3 H 1.78 0.01 2
136 . 28 GLN NE2 N 112.8 0.5 1
137 . 28 GLN HE21 H 7.83 0.01 2
138 . 28 GLN HE22 H 6.69 0.01 2
139 . 29 ILE N N 120.6 0.5 1
140 . 29 ILE H H 8.48 0.01 1
141 . 29 ILE CA C 61.8 0.5 1
142 . 29 ILE HA H 3.82 0.01 1
143 . 29 ILE CB C 37.3 0.5 1
144 . 29 ILE HB H 1.79 0.01 1
145 . 29 ILE HG2 H 0.43 0.01 1
146 . 29 ILE CG2 C 17.6 0.5 1
147 . 29 ILE CG1 C 26.6 0.5 1
148 . 29 ILE HG12 H 1.67 0.01 2
149 . 29 ILE HG13 H 1.61 0.01 2
150 . 29 ILE HD1 H 0.64 0.01 1
151 . 29 ILE CD1 C 15.4 0.5 1
152 . 30 ASP N N 131.8 0.5 1
153 . 30 ASP H H 9.24 0.01 1
154 . 30 ASP CA C 56.0 0.5 1
155 . 30 ASP HA H 4.54 0.01 1
156 . 30 ASP CB C 41.6 0.5 1
157 . 30 ASP HB2 H 2.52 0.01 2
158 . 30 ASP HB3 H 2.12 0.01 2
159 . 31 SER N N 108.7 0.5 1
160 . 31 SER H H 7.48 0.01 1
161 . 31 SER CA C 57.2 0.5 1
162 . 31 SER HA H 4.30 0.01 1
163 . 31 SER CB C 63.8 0.5 1
164 . 31 SER HB2 H 3.61 0.01 2
165 . 31 SER HB3 H 3.79 0.01 2
166 . 32 VAL N N 119.6 0.5 1
167 . 32 VAL H H 8.55 0.01 1
168 . 32 VAL CA C 59.9 0.5 1
169 . 32 VAL HA H 4.43 0.01 1
170 . 32 VAL CB C 34.1 0.5 1
171 . 32 VAL HB H 1.63 0.01 1
172 . 32 VAL HG1 H 0.49 0.01 2
173 . 32 VAL HG2 H 0.40 0.01 2
174 . 32 VAL CG1 C 20.7 0.5 1
175 . 32 VAL CG2 C 20.4 0.5 1
176 . 33 VAL N N 130.3 0.5 1
177 . 33 VAL H H 8.92 0.01 1
178 . 33 VAL CA C 60.6 0.5 1
179 . 33 VAL HA H 4.02 0.01 1
180 . 33 VAL CB C 32.6 0.5 1
181 . 33 VAL HB H 1.77 0.01 1
182 . 33 VAL HG1 H 0.98 0.01 2
183 . 33 VAL HG2 H 0.81 0.01 2
184 . 33 VAL CG1 C 20.0 0.5 1
185 . 33 VAL CG2 C 20.9 0.5 1
186 . 34 PRO CD C 51.4 0.5 1
187 . 34 PRO CA C 63.4 0.5 1
188 . 34 PRO HA H 4.34 0.01 1
189 . 34 PRO CB C 31.4 0.5 1
190 . 34 PRO HB2 H 1.85 0.01 2
191 . 34 PRO HB3 H 2.26 0.01 2
192 . 34 PRO CG C 27.3 0.5 1
193 . 34 PRO HG2 H 1.95 0.01 2
194 . 34 PRO HG3 H 2.09 0.01 2
195 . 34 PRO HD2 H 3.63 0.01 2
196 . 34 PRO HD3 H 4.13 0.01 2
197 . 35 GLY CA C 44.9 0.5 1
198 . 35 GLY HA2 H 3.80 0.01 2
199 . 36 SER N N 120.9 0.5 1
200 . 36 SER H H 7.86 0.01 1
201 . 36 SER CA C 59.6 0.5 1
202 . 36 SER HA H 4.21 0.01 1
203 . 36 SER CB C 64.7 0.5 1
204 . 36 SER HB2 H 3.74 0.01 2
205 . 36 SER HB3 H 3.77 0.01 2
206 . 37 PRO CD C 50.6 0.5 1
207 . 37 PRO CA C 66.0 0.5 1
208 . 37 PRO HA H 4.26 0.01 1
209 . 37 PRO CB C 32.0 0.5 1
210 . 37 PRO HB2 H 1.80 0.01 2
211 . 37 PRO HB3 H 2.73 0.01 2
212 . 37 PRO CG C 27.3 0.5 1
213 . 37 PRO HG2 H 1.78 0.01 2
214 . 37 PRO HG3 H 2.05 0.01 2
215 . 37 PRO HD2 H 3.59 0.01 2
216 . 37 PRO HD3 H 3.70 0.01 2
217 . 38 ALA N N 114.4 0.5 1
218 . 38 ALA H H 8.10 0.01 1
219 . 38 ALA CA C 53.5 0.5 1
220 . 38 ALA HA H 3.78 0.01 1
221 . 38 ALA HB H 0.98 0.01 1
222 . 38 ALA CB C 20.5 0.5 1
223 . 39 SER N N 115.0 0.5 1
224 . 39 SER H H 7.75 0.01 1
225 . 39 SER CA C 61.1 0.5 1
226 . 39 SER HA H 3.89 0.01 1
227 . 39 SER CB C 62.7 0.5 1
228 . 39 SER HB2 H 3.99 0.01 2
229 . 39 SER HB3 H 4.02 0.01 2
230 . 40 LYS CA C 56.8 0.5 1
231 . 40 LYS HA H 4.26 0.01 1
232 . 40 LYS CB C 32.1 0.5 1
233 . 40 LYS HB2 H 1.82 0.01 2
234 . 40 LYS HB3 H 2.01 0.01 2
235 . 40 LYS CG C 25.2 0.5 1
236 . 40 LYS HG2 H 1.35 0.01 2
237 . 40 LYS HG3 H 1.42 0.01 2
238 . 40 LYS CD C 28.5 0.5 1
239 . 40 LYS HD2 H 1.60 0.01 1
240 . 40 LYS HD3 H 1.60 0.01 1
241 . 40 LYS CE C 41.8 0.5 1
242 . 40 LYS HE2 H 2.88 0.01 1
243 . 40 LYS HE3 H 2.88 0.01 1
244 . 41 VAL N N 114.8 0.5 1
245 . 41 VAL H H 7.40 0.01 1
246 . 41 VAL CA C 63.0 0.5 1
247 . 41 VAL HA H 4.22 0.01 1
248 . 41 VAL CB C 36.1 0.5 1
249 . 41 VAL HB H 1.68 0.01 1
250 . 41 VAL HG1 H 0.90 0.01 2
251 . 41 VAL HG2 H 0.87 0.01 2
252 . 41 VAL CG1 C 21.7 0.5 1
253 . 41 VAL CG2 C 20.2 0.5 1
254 . 42 LEU N N 116.5 0.5 1
255 . 42 LEU H H 8.22 0.01 1
256 . 42 LEU CA C 52.6 0.5 1
257 . 42 LEU HA H 3.94 0.01 1
258 . 42 LEU CB C 43.1 0.5 1
259 . 42 LEU HB2 H 1.27 0.01 2
260 . 42 LEU HB3 H 0.87 0.01 2
261 . 42 LEU CG C 26.6 0.5 1
262 . 42 LEU HG H 1.25 0.01 1
263 . 42 LEU HD1 H 0.55 0.01 2
264 . 42 LEU HD2 H 0.05 0.01 2
265 . 42 LEU CD1 C 25.2 0.5 1
266 . 42 LEU CD2 C 21.8 0.5 1
267 . 43 THR N N 109.7 0.5 1
268 . 43 THR H H 6.13 0.01 1
269 . 43 THR CA C 57.7 0.5 1
270 . 43 THR HA H 4.53 0.01 1
271 . 43 THR CB C 70.3 0.5 1
272 . 43 THR HB H 3.91 0.01 1
273 . 43 THR HG2 H 1.00 0.01 1
274 . 43 THR CG2 C 21.0 0.5 1
275 . 44 PRO CD C 50.6 0.5 1
276 . 44 PRO CA C 62.6 0.5 1
277 . 44 PRO HA H 3.85 0.01 1
278 . 44 PRO CB C 31.5 0.5 1
279 . 44 PRO HB2 H 1.76 0.01 2
280 . 44 PRO HB3 H 1.94 0.01 2
281 . 44 PRO CG C 28.3 0.5 1
282 . 44 PRO HG2 H 1.54 0.01 2
283 . 44 PRO HG3 H 2.08 0.01 2
284 . 44 PRO HD2 H 3.52 0.01 2
285 . 44 PRO HD3 H 3.56 0.01 2
286 . 45 GLY N N 111.8 0.5 1
287 . 45 GLY H H 9.34 0.01 1
288 . 45 GLY CA C 44.0 0.5 1
289 . 45 GLY HA2 H 3.35 0.01 2
290 . 45 GLY HA3 H 4.36 0.01 2
291 . 46 LEU N N 119.3 0.5 1
292 . 46 LEU H H 6.70 0.01 1
293 . 46 LEU CA C 55.1 0.5 1
294 . 46 LEU HA H 4.26 0.01 1
295 . 46 LEU CB C 43.9 0.5 1
296 . 46 LEU HB2 H 1.58 0.01 2
297 . 46 LEU HB3 H 1.11 0.01 2
298 . 46 LEU CG C 26.3 0.5 1
299 . 46 LEU HG H 1.77 0.01 1
300 . 46 LEU HD1 H 0.68 0.01 2
301 . 46 LEU HD2 H 0.77 0.01 2
302 . 46 LEU CD1 C 26.8 0.5 1
303 . 46 LEU CD2 C 22.7 0.5 1
304 . 47 VAL N N 121.5 0.5 1
305 . 47 VAL H H 8.81 0.01 1
306 . 47 VAL CA C 61.4 0.5 1
307 . 47 VAL HA H 4.03 0.01 1
308 . 47 VAL CB C 32.1 0.5 1
309 . 47 VAL HB H 1.49 0.01 1
310 . 47 VAL HG1 H 0.27 0.01 2
311 . 47 VAL HG2 H -0.04 0.01 2
312 . 47 VAL CG1 C 21.0 0.5 1
313 . 47 VAL CG2 C 19.5 0.5 1
314 . 48 ILE N N 127.3 0.5 1
315 . 48 ILE H H 9.30 0.01 1
316 . 48 ILE CA C 62.8 0.5 1
317 . 48 ILE HA H 3.63 0.01 1
318 . 48 ILE CB C 38.0 0.5 1
319 . 48 ILE HB H 1.73 0.01 1
320 . 48 ILE HG2 H 0.84 0.01 1
321 . 48 ILE CG2 C 16.6 0.5 1
322 . 48 ILE CG1 C 27.0 0.5 1
323 . 48 ILE HG12 H 0.54 0.01 2
324 . 48 ILE HG13 H 1.47 0.01 2
325 . 48 ILE HD1 H 0.51 0.01 1
326 . 48 ILE CD1 C 13.6 0.5 1
327 . 49 GLU N N 125.1 0.5 1
328 . 49 GLU H H 8.86 0.01 1
329 . 49 GLU CA C 55.9 0.5 1
330 . 49 GLU HA H 4.33 0.01 1
331 . 49 GLU CB C 31.7 0.5 1
332 . 49 GLU HB2 H 1.60 0.01 2
333 . 49 GLU HB3 H 1.80 0.01 2
334 . 49 GLU CG C 36.0 0.5 1
335 . 49 GLU HG2 H 1.92 0.01 2
336 . 49 GLU HG3 H 2.11 0.01 2
337 . 50 SER N N 113.4 0.5 1
338 . 50 SER H H 7.84 0.01 1
339 . 50 SER CA C 57.9 0.5 1
340 . 50 SER HA H 4.98 0.01 1
341 . 50 SER CB C 64.8 0.5 1
342 . 50 SER HB2 H 3.20 0.01 2
343 . 50 SER HB3 H 3.75 0.01 2
344 . 51 ILE N N 118.6 0.5 1
345 . 51 ILE H H 8.24 0.01 1
346 . 51 ILE CA C 59.7 0.5 1
347 . 51 ILE HA H 4.74 0.01 1
348 . 51 ILE CB C 41.5 0.5 1
349 . 51 ILE HB H 1.33 0.01 1
350 . 51 ILE HG2 H 0.60 0.01 1
351 . 51 ILE CG2 C 16.7 0.5 1
352 . 51 ILE CG1 C 27.6 0.5 1
353 . 51 ILE HG12 H 1.57 0.01 2
354 . 51 ILE HG13 H 0.90 0.01 2
355 . 51 ILE HD1 H 0.69 0.01 1
356 . 51 ILE CD1 C 13.5 0.5 1
357 . 52 ASN N N 126.7 0.5 1
358 . 52 ASN H H 9.68 0.01 1
359 . 52 ASN CA C 53.3 0.5 1
360 . 52 ASN HA H 4.50 0.01 1
361 . 52 ASN CB C 36.4 0.5 1
362 . 52 ASN HB2 H 2.67 0.01 2
363 . 52 ASN HB3 H 3.27 0.01 2
364 . 52 ASN ND2 N 109.7 0.5 1
365 . 52 ASN HD21 H 7.58 0.01 2
366 . 52 ASN HD22 H 6.79 0.01 2
367 . 53 GLY N N 103.0 0.5 1
368 . 53 GLY H H 8.71 0.01 1
369 . 53 GLY CA C 45.0 0.5 1
370 . 53 GLY HA2 H 3.49 0.01 2
371 . 53 GLY HA3 H 4.04 0.01 2
372 . 54 MET N N 123.1 0.5 1
373 . 54 MET H H 8.30 0.01 1
374 . 54 MET CA C 52.5 0.5 1
375 . 54 MET HA H 4.67 0.01 1
376 . 54 MET CB C 32.7 0.5 1
377 . 54 MET HB2 H 1.88 0.01 2
378 . 54 MET HB3 H 2.33 0.01 2
379 . 54 MET CG C 31.6 0.5 1
380 . 54 MET HG2 H 2.42 0.01 2
381 . 54 MET HG3 H 2.45 0.01 2
382 . 54 MET HE H 2.03 0.01 1
383 . 54 MET CE C 16.7 0.5 1
384 . 55 PRO CD C 50.7 0.5 1
385 . 55 PRO CA C 62.7 0.5 1
386 . 55 PRO HA H 4.34 0.01 1
387 . 55 PRO CB C 32.0 0.5 1
388 . 55 PRO HB2 H 1.91 0.01 2
389 . 55 PRO HB3 H 2.23 0.01 2
390 . 55 PRO CG C 27.3 0.5 1
391 . 55 PRO HG2 H 1.93 0.01 2
392 . 55 PRO HG3 H 2.08 0.01 2
393 . 55 PRO HD2 H 3.68 0.01 2
394 . 55 PRO HD3 H 3.97 0.01 2
395 . 56 THR N N 116.4 0.5 1
396 . 56 THR H H 8.35 0.01 1
397 . 56 THR CA C 56.8 0.5 1
398 . 56 THR HA H 4.53 0.01 1
399 . 56 THR CB C 68.4 0.5 1
400 . 56 THR HB H 4.11 0.01 1
401 . 56 THR HG2 H 0.98 0.01 1
402 . 56 THR HG1 H 3.89 0.01 1
403 . 56 THR CG2 C 20.6 0.5 1
404 . 57 SER N N 113.8 0.5 1
405 . 57 SER H H 7.40 0.01 1
406 . 57 SER CA C 58.7 0.5 1
407 . 57 SER HA H 3.87 0.01 1
408 . 57 SER CB C 63.4 0.5 1
409 . 57 SER HB2 H 3.75 0.01 2
410 . 57 SER HB3 H 3.72 0.01 2
411 . 58 ASN N N 111.7 0.5 1
412 . 58 ASN H H 7.53 0.01 1
413 . 58 ASN CA C 51.4 0.5 1
414 . 58 ASN HA H 4.54 0.01 1
415 . 58 ASN CB C 39.5 0.5 1
416 . 58 ASN HB2 H 2.94 0.01 2
417 . 58 ASN HB3 H 3.08 0.01 2
418 . 58 ASN ND2 N 114.7 0.5 1
419 . 58 ASN HD21 H 6.98 0.01 2
420 . 58 ASN HD22 H 7.44 0.01 2
421 . 59 LEU N N 119.0 0.5 1
422 . 59 LEU H H 9.20 0.01 1
423 . 59 LEU CA C 58.1 0.5 1
424 . 59 LEU HA H 3.94 0.01 1
425 . 59 LEU CB C 41.8 0.5 1
426 . 59 LEU HB2 H 1.50 0.01 2
427 . 59 LEU HB3 H 1.77 0.01 2
428 . 59 LEU CG C 27.0 0.5 1
429 . 59 LEU HG H 1.50 0.01 1
430 . 59 LEU HD1 H 0.82 0.01 2
431 . 59 LEU HD2 H 0.54 0.01 2
432 . 59 LEU CD1 C 25.8 0.5 1
433 . 59 LEU CD2 C 23.0 0.5 1
434 . 60 THR N N 117.9 0.5 1
435 . 60 THR H H 8.26 0.01 1
436 . 60 THR CA C 66.7 0.5 1
437 . 60 THR HA H 3.96 0.01 1
438 . 60 THR CB C 68.0 0.5 1
439 . 60 THR HB H 4.25 0.01 1
440 . 60 THR HG2 H 1.17 0.01 1
441 . 60 THR CG2 C 21.0 0.5 1
442 . 61 THR N N 115.4 0.5 1
443 . 61 THR H H 8.47 0.01 1
444 . 61 THR CA C 64.5 0.5 1
445 . 61 THR HA H 4.10 0.01 1
446 . 61 THR CB C 68.4 0.5 1
447 . 61 THR HB H 4.38 0.01 1
448 . 61 THR HG2 H 1.28 0.01 1
449 . 61 THR CG2 C 23.1 0.5 1
450 . 62 TYR N N 125.2 0.5 1
451 . 62 TYR H H 8.68 0.01 1
452 . 62 TYR CA C 61.4 0.5 1
453 . 62 TYR HA H 4.10 0.01 1
454 . 62 TYR CB C 39.6 0.5 1
455 . 62 TYR HB2 H 2.89 0.01 2
456 . 62 TYR HB3 H 3.09 0.01 2
457 . 62 TYR HD1 H 6.77 0.01 1
458 . 62 TYR HD2 H 6.77 0.01 1
459 . 62 TYR HE1 H 6.43 0.01 1
460 . 62 TYR HE2 H 6.43 0.01 1
461 . 62 TYR CD1 C 131.9 0.5 1
462 . 62 TYR CE1 C 117.1 0.5 1
463 . 63 SER N N 114.3 0.5 1
464 . 63 SER H H 8.37 0.01 1
465 . 63 SER CA C 61.9 0.5 1
466 . 63 SER HA H 3.78 0.01 1
467 . 63 SER CB C 62.4 0.5 1
468 . 63 SER HB2 H 4.00 0.01 2
469 . 63 SER HB3 H 3.89 0.01 2
470 . 64 ALA N N 122.0 0.5 1
471 . 64 ALA H H 7.58 0.01 1
472 . 64 ALA CA C 54.6 0.5 1
473 . 64 ALA HA H 3.99 0.01 1
474 . 64 ALA HB H 1.39 0.01 1
475 . 64 ALA CB C 17.7 0.5 1
476 . 65 ALA N N 121.0 0.5 1
477 . 65 ALA H H 7.80 0.01 1
478 . 65 ALA CA C 54.4 0.5 1
479 . 65 ALA HA H 4.13 0.01 1
480 . 65 ALA HB H 1.28 0.01 1
481 . 65 ALA CB C 17.6 0.5 1
482 . 66 LEU N N 119.0 0.5 1
483 . 66 LEU H H 7.91 0.01 1
484 . 66 LEU CA C 56.9 0.5 1
485 . 66 LEU HA H 3.75 0.01 1
486 . 66 LEU CB C 41.0 0.5 1
487 . 66 LEU HB2 H 1.42 0.01 2
488 . 66 LEU HB3 H 1.28 0.01 2
489 . 66 LEU CG C 27.0 0.5 1
490 . 66 LEU HG H 1.32 0.01 1
491 . 66 LEU HD1 H 0.46 0.01 2
492 . 66 LEU HD2 H 0.52 0.01 2
493 . 66 LEU CD1 C 23.4 0.5 1
494 . 66 LEU CD2 C 23.1 0.5 1
495 . 67 LYS N N 116.9 0.5 1
496 . 67 LYS H H 7.45 0.01 1
497 . 67 LYS CA C 58.4 0.5 1
498 . 67 LYS HA H 4.00 0.01 1
499 . 67 LYS CB C 32.6 0.5 1
500 . 67 LYS HB2 H 1.84 0.01 1
501 . 67 LYS HB3 H 1.84 0.01 1
502 . 67 LYS CG C 25.5 0.5 1
503 . 67 LYS HG2 H 1.39 0.01 2
504 . 67 LYS HG3 H 1.56 0.01 2
505 . 67 LYS CD C 29.2 0.5 1
506 . 67 LYS HD2 H 1.58 0.01 1
507 . 67 LYS HD3 H 1.58 0.01 1
508 . 67 LYS CE C 41.8 0.5 1
509 . 67 LYS HE2 H 2.86 0.01 1
510 . 67 LYS HE3 H 2.86 0.01 1
511 . 68 THR N N 107.1 0.5 1
512 . 68 THR H H 7.40 0.01 1
513 . 68 THR CA C 62.3 0.5 1
514 . 68 THR HA H 4.26 0.01 1
515 . 68 THR CB C 69.8 0.5 1
516 . 68 THR HB H 4.34 0.01 1
517 . 68 THR HG2 H 1.26 0.01 1
518 . 68 THR CG2 C 21.0 0.5 1
519 . 69 ILE N N 122.6 0.5 1
520 . 69 ILE H H 7.14 0.01 1
521 . 69 ILE CA C 59.6 0.5 1
522 . 69 ILE HA H 4.05 0.01 1
523 . 69 ILE CB C 38.2 0.5 1
524 . 69 ILE HB H 1.81 0.01 1
525 . 69 ILE HG2 H 0.80 0.01 1
526 . 69 ILE CG2 C 18.7 0.5 1
527 . 69 ILE CG1 C 27.0 0.5 1
528 . 69 ILE HG12 H 1.33 0.01 1
529 . 69 ILE HG13 H 1.33 0.01 1
530 . 69 ILE HD1 H 0.57 0.01 1
531 . 69 ILE CD1 C 12.3 0.5 1
532 . 70 SER N N 122.8 0.5 1
533 . 70 SER H H 8.79 0.01 1
534 . 70 SER CA C 57.6 0.5 1
535 . 70 SER HA H 4.68 0.01 1
536 . 70 SER CB C 64.2 0.5 1
537 . 70 SER HB2 H 3.70 0.01 2
538 . 70 SER HB3 H 3.80 0.01 2
539 . 71 VAL N N 123.5 0.5 1
540 . 71 VAL H H 8.52 0.01 1
541 . 71 VAL CA C 65.1 0.5 1
542 . 71 VAL HA H 3.22 0.01 1
543 . 71 VAL CB C 31.6 0.5 1
544 . 71 VAL HB H 1.77 0.01 1
545 . 71 VAL HG1 H 0.64 0.01 2
546 . 71 VAL HG2 H 0.86 0.01 2
547 . 71 VAL CG1 C 20.7 0.5 1
548 . 71 VAL CG2 C 21.0 0.5 1
549 . 72 GLY N N 117.2 0.5 1
550 . 72 GLY H H 7.54 0.01 1
551 . 72 GLY CA C 44.9 0.5 1
552 . 72 GLY HA2 H 3.63 0.01 2
553 . 72 GLY HA3 H 4.11 0.01 2
554 . 73 GLU N N 120.6 0.5 1
555 . 73 GLU H H 7.45 0.01 1
556 . 73 GLU CA C 55.9 0.5 1
557 . 73 GLU HA H 4.18 0.01 1
558 . 73 GLU CB C 31.4 0.5 1
559 . 73 GLU HB2 H 1.84 0.01 2
560 . 73 GLU HB3 H 1.88 0.01 2
561 . 73 GLU CG C 36.4 0.5 1
562 . 73 GLU HG2 H 2.04 0.01 2
563 . 73 GLU HG3 H 2.21 0.01 2
564 . 74 VAL N N 125.1 0.5 1
565 . 74 VAL H H 8.72 0.01 1
566 . 74 VAL CA C 61.9 0.5 1
567 . 74 VAL HA H 4.56 0.01 1
568 . 74 VAL CB C 31.0 0.5 1
569 . 74 VAL HB H 1.92 0.01 1
570 . 74 VAL HG1 H 0.73 0.01 2
571 . 74 VAL HG2 H 0.87 0.01 2
572 . 74 VAL CG1 C 21.0 0.5 1
573 . 74 VAL CG2 C 21.0 0.5 1
574 . 75 ILE N N 123.5 0.5 1
575 . 75 ILE H H 9.03 0.01 1
576 . 75 ILE CA C 59.0 0.5 1
577 . 75 ILE HA H 4.83 0.01 1
578 . 75 ILE CB C 40.6 0.5 1
579 . 75 ILE HB H 1.59 0.01 1
580 . 75 ILE HG2 H 0.81 0.01 1
581 . 75 ILE CG2 C 18.6 0.5 1
582 . 75 ILE CG1 C 25.0 0.5 1
583 . 75 ILE HG12 H 1.21 0.01 2
584 . 75 ILE HG13 H 1.34 0.01 2
585 . 75 ILE HD1 H 0.65 0.01 1
586 . 75 ILE CD1 C 14.0 0.5 1
587 . 76 ASN N N 119.4 0.5 1
588 . 76 ASN H H 8.48 0.01 1
589 . 76 ASN CA C 51.5 0.5 1
590 . 76 ASN HA H 4.96 0.01 1
591 . 76 ASN CB C 39.9 0.5 1
592 . 76 ASN HB2 H 2.56 0.01 2
593 . 76 ASN HB3 H 2.65 0.01 2
594 . 76 ASN ND2 N 112.7 0.5 1
595 . 76 ASN HD21 H 7.33 0.01 2
596 . 76 ASN HD22 H 6.65 0.01 2
597 . 77 ILE N N 126.2 0.5 1
598 . 77 ILE H H 9.28 0.01 1
599 . 77 ILE CA C 60.1 0.5 1
600 . 77 ILE HA H 4.50 0.01 1
601 . 77 ILE CB C 40.4 0.5 1
602 . 77 ILE HB H 1.77 0.01 1
603 . 77 ILE HG2 H 0.78 0.01 1
604 . 77 ILE CG2 C 18.5 0.5 1
605 . 77 ILE CG1 C 27.4 0.5 1
606 . 77 ILE HG12 H 1.52 0.01 2
607 . 77 ILE HG13 H 1.55 0.01 2
608 . 77 ILE HD1 H 0.71 0.01 1
609 . 77 ILE CD1 C 15.5 0.5 1
610 . 78 THR N N 124.5 0.5 1
611 . 78 THR H H 8.87 0.01 1
612 . 78 THR CA C 63.6 0.5 1
613 . 78 THR HA H 4.48 0.01 1
614 . 78 THR CB C 68.4 0.5 1
615 . 78 THR HB H 4.15 0.01 1
616 . 78 THR HG2 H 1.05 0.01 1
617 . 78 THR CG2 C 21.7 0.5 1
618 . 79 THR N N 118.4 0.5 1
619 . 79 THR H H 8.21 0.01 1
620 . 79 THR CA C 59.2 0.5 1
621 . 79 THR HA H 5.91 0.01 1
622 . 79 THR CB C 73.0 0.5 1
623 . 79 THR HB H 4.38 0.01 1
624 . 79 THR HG2 H 1.14 0.01 1
625 . 79 THR HG1 H 5.36 0.01 1
626 . 79 THR CG2 C 21.7 0.5 1
627 . 80 ASP N N 120.6 0.5 1
628 . 80 ASP H H 9.56 0.01 1
629 . 80 ASP CA C 55.5 0.5 1
630 . 80 ASP HA H 4.25 0.01 1
631 . 80 ASP CB C 39.2 0.5 1
632 . 80 ASP HB2 H 2.63 0.01 2
633 . 80 ASP HB3 H 2.67 0.01 2
634 . 81 GLN N N 117.0 0.5 1
635 . 81 GLN H H 8.04 0.01 1
636 . 81 GLN CA C 53.9 0.5 1
637 . 81 GLN HA H 4.45 0.01 1
638 . 81 GLN CB C 28.8 0.5 1
639 . 81 GLN HB2 H 1.46 0.01 2
640 . 81 GLN HB3 H 2.43 0.01 2
641 . 81 GLN CG C 33.2 0.5 1
642 . 81 GLN HG2 H 2.19 0.01 1
643 . 81 GLN HG3 H 2.19 0.01 1
644 . 81 GLN NE2 N 113.9 0.5 1
645 . 81 GLN HE21 H 7.52 0.01 2
646 . 81 GLN HE22 H 6.68 0.01 2
647 . 82 GLY N N 107.2 0.5 1
648 . 82 GLY H H 7.26 0.01 1
649 . 82 GLY CA C 43.5 0.5 1
650 . 82 GLY HA2 H 4.35 0.01 2
651 . 82 GLY HA3 H 3.65 0.01 2
652 . 83 THR N N 119.0 0.5 1
653 . 83 THR H H 8.46 0.01 1
654 . 83 THR CA C 62.0 0.5 1
655 . 83 THR HA H 5.04 0.01 1
656 . 83 THR CB C 69.7 0.5 1
657 . 83 THR HB H 3.69 0.01 1
658 . 83 THR HG2 H 0.83 0.01 1
659 . 83 THR CG2 C 21.0 0.5 1
660 . 84 PHE N N 124.6 0.5 1
661 . 84 PHE H H 9.02 0.01 1
662 . 84 PHE CA C 56.1 0.5 1
663 . 84 PHE HA H 4.61 0.01 1
664 . 84 PHE CB C 43.4 0.5 1
665 . 84 PHE HB2 H 2.27 0.01 2
666 . 84 PHE HB3 H 2.79 0.01 2
667 . 84 PHE HD1 H 6.95 0.01 1
668 . 84 PHE HD2 H 6.95 0.01 1
669 . 84 PHE HE1 H 7.09 0.01 1
670 . 84 PHE HE2 H 7.09 0.01 1
671 . 84 PHE CD1 C 131.1 0.5 1
672 . 84 PHE CE1 C 130.2 0.5 1
673 . 84 PHE CZ C 128.7 0.5 1
674 . 84 PHE HZ H 7.07 0.01 1
675 . 85 HIS N N 119.6 0.5 1
676 . 85 HIS H H 8.58 0.01 1
677 . 85 HIS CA C 54.6 0.5 1
678 . 85 HIS HA H 5.64 0.01 1
679 . 85 HIS CB C 31.9 0.5 1
680 . 85 HIS HB2 H 2.75 0.01 2
681 . 85 HIS HB3 H 2.79 0.01 2
682 . 86 LEU N N 120.5 0.5 1
683 . 86 LEU H H 8.29 0.01 1
684 . 86 LEU CA C 53.9 0.5 1
685 . 86 LEU HA H 4.56 0.01 1
686 . 86 LEU CB C 45.6 0.5 1
687 . 86 LEU HB2 H 1.23 0.01 2
688 . 86 LEU HB3 H 1.58 0.01 2
689 . 86 LEU CG C 26.2 0.5 1
690 . 86 LEU HG H 1.37 0.01 1
691 . 86 LEU HD1 H 0.59 0.01 2
692 . 86 LEU HD2 H 0.55 0.01 2
693 . 86 LEU CD1 C 25.2 0.5 1
694 . 86 LEU CD2 C 26.3 0.5 1
695 . 87 LYS N N 126.6 0.5 1
696 . 87 LYS H H 8.75 0.01 1
697 . 87 LYS CA C 55.0 0.5 1
698 . 87 LYS HA H 4.66 0.01 1
699 . 87 LYS CB C 32.8 0.5 1
700 . 87 LYS HB2 H 1.53 0.01 2
701 . 87 LYS HB3 H 1.82 0.01 2
702 . 87 LYS CG C 24.8 0.5 1
703 . 87 LYS HG2 H 1.08 0.01 2
704 . 87 LYS HG3 H 1.26 0.01 2
705 . 87 LYS CD C 29.3 0.5 1
706 . 87 LYS HD2 H 1.58 0.01 1
707 . 87 LYS HD3 H 1.58 0.01 1
708 . 87 LYS CE C 41.8 0.5 1
709 . 87 LYS HE2 H 2.92 0.01 1
710 . 87 LYS HE3 H 2.92 0.01 1
711 . 88 THR N N 117.8 0.5 1
712 . 88 THR H H 8.35 0.01 1
713 . 88 THR CA C 62.3 0.5 1
714 . 88 THR HA H 3.91 0.01 1
715 . 88 THR CB C 70.3 0.5 1
716 . 88 THR HB H 4.34 0.01 1
717 . 88 THR HG2 H 1.14 0.01 1
718 . 88 THR HG1 H 4.60 0.01 1
719 . 88 THR CG2 C 22.9 0.5 1
720 . 89 GLY N N 107.2 0.5 1
721 . 89 GLY H H 8.60 0.01 1
722 . 89 GLY CA C 43.1 0.5 1
723 . 89 GLY HA2 H 3.75 0.01 2
724 . 89 GLY HA3 H 4.65 0.01 2
725 . 90 ARG N N 120.5 0.5 1
726 . 90 ARG H H 8.52 0.01 1
727 . 90 ARG CA C 54.3 0.5 1
728 . 90 ARG HA H 4.54 0.01 1
729 . 90 ARG CB C 31.6 0.5 1
730 . 90 ARG HB2 H 1.57 0.01 1
731 . 90 ARG HB3 H 1.57 0.01 1
732 . 90 ARG CG C 27.0 0.5 1
733 . 90 ARG HG2 H 1.50 0.01 1
734 . 90 ARG HG3 H 1.50 0.01 1
735 . 90 ARG CD C 43.1 0.5 1
736 . 90 ARG HD2 H 3.03 0.01 2
737 . 90 ARG HD3 H 3.15 0.01 2
738 . 91 ASN CA C 51.4 0.5 1
739 . 91 ASN HA H 3.75 0.01 1
740 . 92 PRO CD C 49.7 0.5 1
741 . 92 PRO CA C 64.1 0.5 1
742 . 92 PRO HA H 4.05 0.01 1
743 . 92 PRO CB C 32.0 0.5 1
744 . 92 PRO HB2 H 1.66 0.01 2
745 . 92 PRO HB3 H 2.11 0.01 2
746 . 92 PRO CG C 26.6 0.5 1
747 . 92 PRO HG2 H 1.62 0.01 1
748 . 92 PRO HG3 H 1.62 0.01 1
749 . 92 PRO HD2 H 2.68 0.01 2
750 . 92 PRO HD3 H 2.74 0.01 2
751 . 93 ASN N N 113.5 0.5 1
752 . 93 ASN H H 8.39 0.01 1
753 . 93 ASN CA C 52.5 0.5 1
754 . 93 ASN HA H 4.65 0.01 1
755 . 93 ASN CB C 39.1 0.5 1
756 . 93 ASN HB2 H 2.62 0.01 2
757 . 93 ASN HB3 H 2.71 0.01 2
758 . 93 ASN ND2 N 112.8 0.5 1
759 . 93 ASN HD21 H 7.51 0.01 2
760 . 93 ASN HD22 H 6.84 0.01 2
761 . 94 ASN N N 115.4 0.5 1
762 . 94 ASN H H 7.58 0.01 1
763 . 94 ASN CA C 53.3 0.5 1
764 . 94 ASN HA H 4.48 0.01 1
765 . 94 ASN CB C 37.7 0.5 1
766 . 94 ASN HB2 H 2.64 0.01 2
767 . 94 ASN HB3 H 2.75 0.01 2
768 . 94 ASN ND2 N 111.9 0.5 1
769 . 94 ASN HD21 H 6.86 0.01 2
770 . 94 ASN HD22 H 7.57 0.01 2
771 . 96 SER CA C 58.5 0.5 1
772 . 96 SER HA H 4.42 0.01 1
773 . 96 SER CB C 63.7 0.5 1
774 . 96 SER HB2 H 3.85 0.01 2
775 . 96 SER HB3 H 3.92 0.01 2
776 . 97 ARG N N 122.0 0.5 1
777 . 97 ARG H H 7.77 0.01 1
778 . 97 ARG CA C 54.2 0.5 1
779 . 97 ARG HA H 4.46 0.01 1
780 . 97 ARG CB C 31.8 0.5 1
781 . 97 ARG HB2 H 1.65 0.01 2
782 . 97 ARG HB3 H 1.82 0.01 2
783 . 97 ARG CG C 26.5 0.5 1
784 . 97 ARG HG2 H 1.58 0.01 2
785 . 97 ARG HG3 H 1.61 0.01 2
786 . 97 ARG CD C 43.1 0.5 1
787 . 97 ARG HD2 H 3.14 0.01 1
788 . 97 ARG HD3 H 3.14 0.01 1
789 . 98 ALA N N 126.3 0.5 1
790 . 98 ALA H H 8.84 0.01 1
791 . 98 ALA CA C 52.4 0.5 1
792 . 98 ALA HA H 4.33 0.01 1
793 . 98 ALA HB H 1.12 0.01 1
794 . 98 ALA CB C 18.8 0.5 1
795 . 99 TYR N N 121.1 0.5 1
796 . 99 TYR H H 8.13 0.01 1
797 . 99 TYR CA C 56.3 0.5 1
798 . 99 TYR HA H 4.77 0.01 1
799 . 99 TYR CB C 42.6 0.5 1
800 . 99 TYR HB2 H 2.24 0.01 2
801 . 99 TYR HB3 H 2.64 0.01 2
802 . 99 TYR HD1 H 7.01 0.01 1
803 . 99 TYR HD2 H 7.01 0.01 1
804 . 99 TYR HE1 H 6.71 0.01 1
805 . 99 TYR HE2 H 6.71 0.01 1
806 . 99 TYR CD1 C 132.9 0.5 1
807 . 99 TYR CE1 C 117.4 0.5 1
808 . 100 MET HE H 1.86 0.01 1
809 . 100 MET CE C 17.6 0.5 1
810 . 102 ILE CA C 58.2 0.5 1
811 . 102 ILE HA H 5.04 0.01 1
812 . 102 ILE CB C 41.8 0.5 1
813 . 102 ILE HB H 1.60 0.01 1
814 . 102 ILE HG2 H 0.52 0.01 1
815 . 102 ILE CG2 C 19.4 0.5 1
816 . 102 ILE CG1 C 25.1 0.5 1
817 . 102 ILE HG12 H 0.70 0.01 2
818 . 102 ILE HG13 H 1.27 0.01 2
819 . 102 ILE HD1 H 0.53 0.01 1
820 . 102 ILE CD1 C 13.6 0.5 1
821 . 103 ARG N N 122.9 0.5 1
822 . 103 ARG H H 8.11 0.01 1
823 . 103 ARG CA C 54.9 0.5 1
824 . 103 ARG HA H 4.76 0.01 1
825 . 103 ARG CB C 30.7 0.5 1
826 . 103 ARG HB2 H 1.68 0.01 2
827 . 103 ARG HB3 H 1.79 0.01 2
828 . 103 ARG CG C 27.3 0.5 1
829 . 103 ARG HG2 H 1.39 0.01 2
830 . 103 ARG HG3 H 1.44 0.01 2
831 . 103 ARG CD C 42.7 0.5 1
832 . 103 ARG HD2 H 3.01 0.01 1
833 . 103 ARG HD3 H 3.01 0.01 1
834 . 104 THR N N 113.3 0.5 1
835 . 104 THR H H 8.21 0.01 1
836 . 104 THR CA C 58.6 0.5 1
837 . 104 THR HA H 5.40 0.01 1
838 . 104 THR CB C 72.7 0.5 1
839 . 104 THR HB H 3.51 0.01 1
840 . 104 THR HG2 H 0.49 0.01 1
841 . 104 THR CG2 C 21.8 0.5 1
842 . 105 SER N N 111.3 0.5 1
843 . 105 SER H H 8.29 0.01 1
844 . 105 SER CA C 56.9 0.5 1
845 . 105 SER HA H 4.51 0.01 1
846 . 105 SER CB C 64.9 0.5 1
847 . 105 SER HB2 H 3.71 0.01 2
848 . 105 SER HB3 H 3.96 0.01 2
849 . 106 ASN N N 119.0 0.5 1
850 . 106 ASN H H 8.85 0.01 1
851 . 106 ASN CA C 54.9 0.5 1
852 . 106 ASN HA H 4.61 0.01 1
853 . 106 ASN CB C 38.3 0.5 1
854 . 106 ASN HB2 H 2.49 0.01 2
855 . 106 ASN HB3 H 2.61 0.01 2
856 . 106 ASN ND2 N 111.7 0.5 1
857 . 106 ASN HD21 H 7.50 0.01 2
858 . 106 ASN HD22 H 7.00 0.01 2
859 . 107 HIS N N 122.6 0.5 1
860 . 107 HIS H H 8.79 0.01 1
861 . 107 HIS CA C 55.9 0.5 1
862 . 107 HIS HA H 4.60 0.01 1
863 . 107 HIS CB C 30.2 0.5 1
864 . 107 HIS HB2 H 2.84 0.01 2
865 . 107 HIS HB3 H 2.47 0.01 2
866 . 107 HIS HD2 H 7.29 0.01 1
867 . 108 LEU N N 127.2 0.5 1
868 . 108 LEU H H 7.85 0.01 1
869 . 108 LEU CA C 53.4 0.5 1
870 . 108 LEU HA H 4.53 0.01 1
871 . 108 LEU CB C 43.6 0.5 1
872 . 108 LEU HB2 H 1.32 0.01 2
873 . 108 LEU HB3 H 1.08 0.01 2
874 . 108 LEU CG C 27.0 0.5 1
875 . 108 LEU HG H 1.33 0.01 1
876 . 108 LEU HD1 H 0.69 0.01 2
877 . 108 LEU HD2 H 0.56 0.01 2
878 . 108 LEU CD1 C 25.1 0.5 1
879 . 108 LEU CD2 C 23.4 0.5 1
880 . 109 ARG N N 120.4 0.5 1
881 . 109 ARG H H 8.38 0.01 1
882 . 109 ARG CA C 54.9 0.5 1
883 . 109 ARG HA H 4.25 0.01 1
884 . 109 ARG CB C 31.9 0.5 1
885 . 109 ARG HB2 H 1.69 0.01 1
886 . 109 ARG HB3 H 1.69 0.01 1
887 . 109 ARG CG C 26.7 0.5 1
888 . 109 ARG HG2 H 1.46 0.01 1
889 . 109 ARG HG3 H 1.46 0.01 1
890 . 109 ARG CD C 43.1 0.5 1
891 . 109 ARG HD2 H 3.12 0.01 1
892 . 109 ARG HD3 H 3.12 0.01 1
893 . 110 VAL N N 122.7 0.5 1
894 . 110 VAL H H 8.31 0.01 1
895 . 110 VAL CA C 62.2 0.5 1
896 . 110 VAL HA H 4.06 0.01 1
897 . 110 VAL CB C 32.4 0.5 1
898 . 110 VAL HB H 1.89 0.01 1
899 . 110 VAL HG1 H 0.82 0.01 2
900 . 110 VAL HG2 H 0.81 0.01 2
901 . 110 VAL CG1 C 20.7 0.5 1
902 . 110 VAL CG2 C 21.0 0.5 1
903 . 111 ARG N N 126.0 0.5 1
904 . 111 ARG H H 8.47 0.01 1
905 . 111 ARG CA C 55.8 0.5 1
906 . 111 ARG HA H 4.20 0.01 1
907 . 111 ARG CB C 31.1 0.5 1
908 . 111 ARG HB2 H 1.58 0.01 2
909 . 111 ARG HB3 H 1.70 0.01 2
910 . 111 ARG CG C 26.9 0.5 1
911 . 111 ARG HG2 H 1.48 0.01 1
912 . 111 ARG HG3 H 1.48 0.01 1
913 . 111 ARG CD C 43.1 0.5 1
914 . 111 ARG HD2 H 3.03 0.01 1
915 . 111 ARG HD3 H 3.03 0.01 1
916 . 112 ASP N N 122.0 0.5 1
917 . 112 ASP H H 8.37 0.01 1
918 . 112 ASP CA C 54.3 0.5 1
919 . 112 ASP HA H 4.50 0.01 1
920 . 112 ASP CB C 41.0 0.5 1
921 . 112 ASP HB2 H 2.50 0.01 2
922 . 112 ASP HB3 H 2.59 0.01 2
923 . 113 SER N N 121.1 0.5 1
924 . 113 SER H H 8.55 0.01 1
925 . 113 SER CA C 58.0 0.5 1
926 . 113 SER HA H 4.33 0.01 1
927 . 113 SER CB C 63.4 0.5 1
928 . 113 SER HB2 H 3.77 0.01 1
929 . 113 SER HB3 H 3.77 0.01 1
930 . 114 VAL N N 121.5 0.5 1
931 . 114 VAL H H 8.08 0.01 1
932 . 114 VAL CA C 61.9 0.5 1
933 . 114 VAL HA H 4.00 0.01 1
934 . 114 VAL CB C 32.5 0.5 1
935 . 114 VAL HB H 1.99 0.01 1
936 . 114 VAL HG1 H 0.80 0.01 2
937 . 114 VAL HG2 H 0.81 0.01 2
938 . 114 VAL CG1 C 20.3 0.5 1
939 . 114 VAL CG2 C 20.6 0.5 1
940 . 115 ALA N N 126.6 0.5 1
941 . 115 ALA H H 8.26 0.01 1
942 . 115 ALA CA C 52.4 0.5 1
943 . 115 ALA HA H 4.18 0.01 1
944 . 115 ALA HB H 1.27 0.01 1
945 . 115 ALA CB C 19.1 0.5 1
946 . 116 SER N N 115.0 0.5 1
947 . 116 SER H H 8.20 0.01 1
948 . 116 SER CA C 57.9 0.5 1
949 . 116 SER HA H 4.33 0.01 1
950 . 116 SER CB C 63.4 0.5 1
951 . 116 SER HB2 H 3.73 0.01 1
952 . 116 SER HB3 H 3.73 0.01 1
953 . 117 VAL N N 121.5 0.5 1
954 . 117 VAL H H 8.11 0.01 1
955 . 117 VAL CA C 61.8 0.5 1
956 . 117 VAL HA H 4.05 0.01 1
957 . 117 VAL CB C 32.5 0.5 1
958 . 117 VAL HB H 2.02 0.01 1
959 . 117 VAL HG1 H 0.82 0.01 2
960 . 117 VAL HG2 H 0.81 0.01 2
961 . 117 VAL CG1 C 20.3 0.5 1
962 . 117 VAL CG2 C 20.8 0.5 1
963 . 118 LEU N N 124.7 0.5 1
964 . 118 LEU H H 8.23 0.01 1
965 . 118 LEU CA C 55.0 0.5 1
966 . 118 LEU HA H 4.22 0.01 1
967 . 118 LEU CB C 41.8 0.5 1
968 . 118 LEU HB2 H 1.47 0.01 2
969 . 118 LEU HB3 H 1.55 0.01 2
970 . 118 LEU CG C 26.6 0.5 1
971 . 118 LEU HG H 1.50 0.01 1
972 . 118 LEU HD1 H 0.79 0.01 2
973 . 118 LEU HD2 H 0.75 0.01 2
974 . 118 LEU CD1 C 24.7 0.5 1
975 . 118 LEU CD2 C 23.0 0.5 1
976 . 119 GLY N N 109.2 0.5 1
977 . 119 GLY H H 8.24 0.01 1
978 . 119 GLY CA C 45.0 0.5 1
979 . 119 GLY HA2 H 3.84 0.01 1
980 . 119 GLY HA3 H 3.84 0.01 1
981 . 120 ASP N N 120.1 0.5 1
982 . 120 ASP H H 8.17 0.01 1
983 . 120 ASP CA C 53.9 0.5 1
984 . 120 ASP HA H 4.57 0.01 1
985 . 120 ASP CB C 41.0 0.5 1
986 . 120 ASP HB2 H 2.58 0.01 2
987 . 120 ASP HB3 H 2.52 0.01 2
988 . 121 THR N N 114.2 0.5 1
989 . 121 THR H H 8.05 0.01 1
990 . 121 THR CA C 61.3 0.5 1
991 . 121 THR HA H 4.21 0.01 1
992 . 121 THR CB C 69.7 0.5 1
993 . 121 THR HB H 4.08 0.01 1
994 . 121 THR HG2 H 1.09 0.01 1
995 . 121 THR CG2 C 21.0 0.5 1
996 . 122 LEU N N 126.1 0.5 1
997 . 122 LEU H H 8.25 0.01 1
998 . 122 LEU CA C 52.9 0.5 1
999 . 122 LEU HA H 4.49 0.01 1
1000 . 122 LEU CB C 41.4 0.5 1
1001 . 122 LEU HB2 H 1.41 0.01 2
1002 . 122 LEU HB3 H 1.52 0.01 2
1003 . 122 LEU CG C 26.6 0.5 1
1004 . 122 LEU HG H 1.55 0.01 1
1005 . 122 LEU HD1 H 0.83 0.01 2
1006 . 122 LEU HD2 H 0.80 0.01 2
1007 . 122 LEU CD1 C 25.6 0.5 1
1008 . 122 LEU CD2 C 23.0 0.5 1
1009 . 123 PRO CD C 50.4 0.5 1
1010 . 123 PRO CA C 62.6 0.5 1
1011 . 123 PRO HA H 4.26 0.01 1
1012 . 123 PRO CB C 31.6 0.5 1
1013 . 123 PRO HB2 H 1.67 0.01 2
1014 . 123 PRO HB3 H 2.10 0.01 2
1015 . 123 PRO CG C 27.0 0.5 1
1016 . 123 PRO HG2 H 1.86 0.01 1
1017 . 123 PRO HG3 H 1.86 0.01 1
1018 . 123 PRO HD2 H 3.48 0.01 2
1019 . 123 PRO HD3 H 3.70 0.01 2
1020 . 124 PHE N N 120.3 0.5 1
1021 . 124 PHE H H 8.21 0.01 1
1022 . 124 PHE CA C 57.4 0.5 1
1023 . 124 PHE HA H 4.45 0.01 1
1024 . 124 PHE CB C 39.1 0.5 1
1025 . 124 PHE HB2 H 2.98 0.01 1
1026 . 124 PHE HB3 H 2.98 0.01 1
1027 . 124 PHE HD1 H 7.16 0.01 1
1028 . 124 PHE HD2 H 7.16 0.01 1
1029 . 124 PHE HE1 H 7.20 0.01 1
1030 . 124 PHE HE2 H 7.20 0.01 1
1031 . 124 PHE CD1 C 131.2 0.5 1
1032 . 124 PHE CE1 C 129.1 0.5 1
1033 . 124 PHE CZ C 129.0 0.5 1
1034 . 124 PHE HZ H 7.12 0.01 1
1035 . 125 ALA N N 126.2 0.5 1
1036 . 125 ALA H H 8.18 0.01 1
1037 . 125 ALA CA C 52.1 0.5 1
1038 . 125 ALA HA H 4.20 0.01 1
1039 . 125 ALA HB H 1.24 0.01 1
1040 . 125 ALA CB C 19.0 0.5 1
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