data_4574
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
CIDE-N Domain of Human CIDE-B
;
_BMRB_accession_number 4574
_BMRB_flat_file_name bmr4574.str
_Entry_type original
_Submission_date 2000-01-26
_Accession_date 2000-01-26
_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 Lugovskoy A. . .
2 Zhou P. . .
3 Chou J. . .
4 McCarty J. . .
5 Li P. . .
6 Wagner G. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 590
"13C chemical shifts" 391
"15N chemical shifts" 109
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2001-03-02 original author .
stop_
_Original_release_date 2001-03-02
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full
;
Lugovskoy, A.A., Zhou, P., Chou, J.J., McCarty, J.S., Li, P., and Wagner, G.,
"Solution Structure of the CIDE-N Domain of CIDE-B and a Model for CIDE-N/CIDE-N
Interactions in the DNA Fragmentation Pathway of Apoptosis," Cell 99, 747-755
(1999).
;
_Citation_title
;
Solution Structure of the CIDE-N Domain of CIDE-B and a Model for CIDE-N/CIDE-N
Interactions in the DNA Fragmenttion Pathway of Apoptosis
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 20084446
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Lugovskoy A. A .
2 Zhou P. . .
3 Chou J. J. .
4 McCarty J. S. .
5 Li P. . .
6 Wagner G. . .
stop_
_Journal_abbreviation Cell
_Journal_name_full Cell
_Journal_volume 99
_Journal_issue 7
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 747
_Page_last 755
_Year 1999
_Details .
loop_
_Keyword
'CIDE-N Domain'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_cide-n_of_cide-b
_Saveframe_category molecular_system
_Mol_system_name 'CIDE-N DOMAIN OF HUMAN CIDE-B'
_Abbreviation_common 'cide-n of cide-b'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Human Cell Death-Inducing Effector B' $cide-n_of_cide-b
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_cide-n_of_cide-b
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Human Cell Death-Inducing Effector B'
_Abbreviation_common 'cide-n of cide-b'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 122
_Mol_residue_sequence
;
MEYLSALNPSDLLRSVSNIS
SEFGRRVWTSAPPPQRPFRV
CDHKRTIRKGLTAATRQELL
AKALETLLLNGVLTLVLEED
GTAVDSEDFFQLLEDDTCLM
VLQSGQSWSPTRSGVLHHHH
HH
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 GLU 3 TYR 4 LEU 5 SER
6 ALA 7 LEU 8 ASN 9 PRO 10 SER
11 ASP 12 LEU 13 LEU 14 ARG 15 SER
16 VAL 17 SER 18 ASN 19 ILE 20 SER
21 SER 22 GLU 23 PHE 24 GLY 25 ARG
26 ARG 27 VAL 28 TRP 29 THR 30 SER
31 ALA 32 PRO 33 PRO 34 PRO 35 GLN
36 ARG 37 PRO 38 PHE 39 ARG 40 VAL
41 CYS 42 ASP 43 HIS 44 LYS 45 ARG
46 THR 47 ILE 48 ARG 49 LYS 50 GLY
51 LEU 52 THR 53 ALA 54 ALA 55 THR
56 ARG 57 GLN 58 GLU 59 LEU 60 LEU
61 ALA 62 LYS 63 ALA 64 LEU 65 GLU
66 THR 67 LEU 68 LEU 69 LEU 70 ASN
71 GLY 72 VAL 73 LEU 74 THR 75 LEU
76 VAL 77 LEU 78 GLU 79 GLU 80 ASP
81 GLY 82 THR 83 ALA 84 VAL 85 ASP
86 SER 87 GLU 88 ASP 89 PHE 90 PHE
91 GLN 92 LEU 93 LEU 94 GLU 95 ASP
96 ASP 97 THR 98 CYS 99 LEU 100 MET
101 VAL 102 LEU 103 GLN 104 SER 105 GLY
106 GLN 107 SER 108 TRP 109 SER 110 PRO
111 THR 112 ARG 113 SER 114 GLY 115 VAL
116 LEU 117 HIS 118 HIS 119 HIS 120 HIS
121 HIS 122 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-14
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 1D4B "Cide-N Domain Of Human Cide-B" 100.00 122 100.00 100.00 5.51e-83
DBJ BAA91132 "unnamed protein product [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76
DBJ BAG53748 "unnamed protein product [Homo sapiens]" 96.72 219 98.31 99.15 2.66e-76
DBJ BAJ21083 "cell death-inducing DFFA-like effector b [synthetic construct]" 96.72 219 98.31 99.15 3.34e-76
GB AAF23324 "CIDE-B apoptosis protein [Homo sapiens]" 96.72 219 98.31 99.15 4.63e-76
GB AAF27658 "Cide-b [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76
GB AAH35970 "CIDEB protein [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76
GB AAN37907 "cell death-inducing DFFA-like effector b [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76
GB ADQ32263 "cell death-inducing DFFA-like effector b [synthetic construct]" 96.72 219 98.31 99.15 3.34e-76
REF NP_055245 "cell death activator CIDE-B [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76
REF XP_002824673 "PREDICTED: cell death activator CIDE-B [Pongo abelii]" 96.72 219 97.46 99.15 7.81e-76
REF XP_004055057 "PREDICTED: cell death activator CIDE-B isoform 1 [Gorilla gorilla gorilla]" 96.72 219 97.46 99.15 1.09e-75
REF XP_004055058 "PREDICTED: cell death activator CIDE-B isoform 2 [Gorilla gorilla gorilla]" 96.72 219 97.46 99.15 1.09e-75
REF XP_005267597 "PREDICTED: cell death activator CIDE-B isoform X1 [Homo sapiens]" 96.72 219 98.31 99.15 3.34e-76
SP Q9UHD4 "RecName: Full=Cell death activator CIDE-B; AltName: Full=Cell death-inducing DFFA-like effector B" 96.72 219 98.31 99.15 3.34e-76
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$cide-n_of_cide-b Human 9606 Eukaryota . Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$cide-n_of_cide-b 'recombinant technology' Bacteria 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
$cide-n_of_cide-b 0.5 mM '[U-13C; U-15N]'
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR
_Saveframe_category software
_Name X-PLOR
_Version 3.18
loop_
_Task
refinement
stop_
_Details Brunger
save_
save_DYANA
_Saveframe_category software
_Name DYANA
_Version 1.5
loop_
_Task
'structure solution'
stop_
_Details Guntert
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Unity
_Field_strength 500
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model 'Unity Plus'
_Field_strength 750
_Details .
save_
save_NMR_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
save_NMR_spectrometer_4
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.6 0.1 n/a
temperature 298 0.1 K
'ionic strength' 0.15 0.01 M
pressure 1 0.001 atm
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_label
_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
DSS H 1 'methyl protons' . . . indirect . . .
'methyl iodine' C 13 'methyl protons' . . . indirect . . .
15NHNO3 N 15 N . . . direct . . .
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_label
_Mol_system_component_name 'Human Cell Death-Inducing Effector B'
_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 . 3 TYR C C 174.8 0.2 1
2 . 4 LEU N N 122.0 0.1 1
3 . 4 LEU H H 7.92 0.02 1
4 . 4 LEU CA C 60.9 0.2 1
5 . 4 LEU HA H 4.25 0.02 1
6 . 4 LEU CB C 38.1 0.2 1
7 . 4 LEU HB2 H 1.09 0.02 1
8 . 4 LEU HB3 H 1.09 0.02 1
9 . 4 LEU HG H 1.36 0.02 1
10 . 4 LEU HD1 H 0.77 0.02 2
11 . 4 LEU HD2 H 0.68 0.02 2
12 . 4 LEU CD1 C 23.6 0.2 1
13 . 4 LEU CD2 C 25.1 0.2 1
14 . 4 LEU C C 173.9 0.2 1
15 . 5 SER N N 118.9 0.1 1
16 . 5 SER H H 8.26 0.02 1
17 . 5 SER CA C 58.1 0.2 1
18 . 5 SER HA H 4.34 0.02 1
19 . 5 SER CB C 63.8 0.2 1
20 . 5 SER HB2 H 3.82 0.02 2
21 . 5 SER HB3 H 3.75 0.02 2
22 . 5 SER C C 172.5 0.2 1
23 . 6 ALA N N 120.4 0.1 1
24 . 6 ALA H H 7.97 0.02 1
25 . 6 ALA CA C 52.2 0.2 1
26 . 6 ALA HA H 4.23 0.02 1
27 . 6 ALA HB H 0.75 0.02 1
28 . 6 ALA CB C 19.0 0.2 1
29 . 6 ALA C C 175.0 0.2 1
30 . 7 LEU N N 120.8 0.1 1
31 . 7 LEU H H 8.15 0.02 1
32 . 7 LEU CA C 54.8 0.2 1
33 . 7 LEU HA H 4.21 0.02 1
34 . 7 LEU CB C 41.9 0.2 1
35 . 7 LEU HB2 H 1.43 0.02 1
36 . 7 LEU HB3 H 1.43 0.02 1
37 . 7 LEU HG H 1.50 0.02 1
38 . 7 LEU HD1 H 0.79 0.02 2
39 . 7 LEU HD2 H 0.73 0.02 2
40 . 7 LEU CD1 C 24.4 0.2 1
41 . 7 LEU CD2 C 23.5 0.2 1
42 . 7 LEU C C 174.3 0.2 1
43 . 8 ASN N N 120.4 0.1 1
44 . 8 ASN H H 8.39 0.02 1
45 . 8 ASN CA C 50.8 0.2 1
46 . 8 ASN HA H 4.86 0.02 1
47 . 8 ASN CB C 38.6 0.2 1
48 . 8 ASN HB2 H 2.77 0.02 2
49 . 8 ASN HB3 H 2.61 0.02 2
50 . 8 ASN C C 171.5 0.2 1
51 . 9 PRO CA C 63.9 0.2 1
52 . 9 PRO CB C 31.6 0.2 1
53 . 9 PRO C C 175.4 0.2 1
54 . 10 SER N N 113.8 0.1 1
55 . 10 SER H H 8.18 0.02 1
56 . 10 SER CA C 59.3 0.2 1
57 . 10 SER HA H 4.22 0.02 1
58 . 10 SER CB C 63.1 0.2 1
59 . 10 SER HB2 H 4.04 0.02 2
60 . 10 SER HB3 H 3.89 0.02 2
61 . 10 SER C C 172.8 0.2 1
62 . 11 ASP N N 121.6 0.1 1
63 . 11 ASP H H 8.04 0.02 1
64 . 11 ASP CA C 54.9 0.2 1
65 . 11 ASP HA H 4.43 0.02 1
66 . 11 ASP CB C 41.0 0.2 1
67 . 11 ASP HB2 H 2.62 0.02 1
68 . 11 ASP HB3 H 2.62 0.02 1
69 . 11 ASP C C 174.5 0.2 1
70 . 12 LEU N N 120.8 0.1 1
71 . 12 LEU H H 7.76 0.02 1
72 . 12 LEU CA C 55.7 0.2 1
73 . 12 LEU HA H 4.13 0.02 1
74 . 12 LEU CB C 41.1 0.2 1
75 . 12 LEU HB2 H 1.51 0.02 1
76 . 12 LEU HB3 H 1.51 0.02 1
77 . 12 LEU HG H 1.40 0.02 1
78 . 12 LEU HD1 H 0.82 0.02 2
79 . 12 LEU HD2 H 0.75 0.02 2
80 . 12 LEU CD1 C 24.5 0.2 1
81 . 12 LEU CD2 C 23.3 0.2 1
82 . 12 LEU C C 175.4 0.2 1
83 . 13 LEU N N 120.2 0.1 1
84 . 13 LEU H H 7.83 0.02 1
85 . 13 LEU CA C 55.3 0.2 1
86 . 13 LEU HA H 4.01 0.02 1
87 . 13 LEU CB C 41.1 0.2 1
88 . 13 LEU HB2 H 1.46 0.02 1
89 . 13 LEU HB3 H 1.46 0.02 1
90 . 13 LEU HG H 1.55 0.02 1
91 . 13 LEU CD1 C 23.6 0.2 1
92 . 13 LEU HD1 H 0.75 0.02 1
93 . 13 LEU HD2 H 0.75 0.02 1
94 . 13 LEU C C 173.9 0.2 1
95 . 14 ARG N N 120.4 0.1 1
96 . 14 ARG H H 7.74 0.02 1
97 . 14 ARG CA C 55.9 0.2 1
98 . 14 ARG HA H 4.20 0.02 1
99 . 14 ARG CB C 30.0 0.2 1
100 . 14 ARG HB2 H 1.50 0.02 1
101 . 14 ARG HB3 H 1.50 0.02 1
102 . 14 ARG HG2 H 1.75 0.02 1
103 . 14 ARG HG3 H 1.75 0.02 1
104 . 14 ARG HD2 H 3.10 0.02 1
105 . 14 ARG HD3 H 3.10 0.02 1
106 . 14 ARG C C 174.1 0.2 1
107 . 15 SER N N 115.8 0.1 1
108 . 15 SER H H 8.22 0.02 1
109 . 15 SER CA C 58.1 0.2 1
110 . 15 SER HA H 4.24 0.02 1
111 . 15 SER CB C 63.6 0.2 1
112 . 15 SER HB2 H 3.76 0.02 1
113 . 15 SER HB3 H 3.76 0.02 1
114 . 15 SER C C 172.7 0.2 1
115 . 16 VAL N N 120.6 0.1 1
116 . 16 VAL H H 8.00 0.02 1
117 . 16 VAL CA C 61.9 0.2 1
118 . 16 VAL HA H 4.00 0.02 1
119 . 16 VAL CB C 32.2 0.2 1
120 . 16 VAL HB H 1.88 0.02 1
121 . 16 VAL HG1 H 0.77 0.02 1
122 . 16 VAL HG2 H 0.77 0.02 1
123 . 16 VAL CG1 C 21.0 0.2 1
124 . 16 VAL CG2 C 20.0 0.2 1
125 . 16 VAL C C 172.6 0.2 1
126 . 17 SER N N 120.3 0.1 1
127 . 17 SER H H 7.95 0.02 1
128 . 17 SER HA H 4.07 0.02 1
129 . 17 SER HB2 H 3.79 0.02 1
130 . 17 SER HB3 H 3.79 0.02 1
131 . 17 SER C C 174.0 0.2 1
132 . 18 ASN N N 119.3 0.1 1
133 . 18 ASN H H 8.29 0.02 1
134 . 18 ASN CA C 55.7 0.2 1
135 . 18 ASN HA H 4.37 0.02 1
136 . 18 ASN C C 171.8 0.2 1
137 . 19 ILE N N 120.9 0.1 1
138 . 19 ILE H H 7.98 0.02 1
139 . 19 ILE CA C 61.2 0.2 1
140 . 19 ILE HA H 4.06 0.02 1
141 . 19 ILE CB C 32.4 0.2 1
142 . 19 ILE HB H 1.76 0.02 1
143 . 19 ILE HG2 H 0.78 0.02 1
144 . 19 ILE CG2 C 17.5 0.2 1
145 . 19 ILE HG12 H 1.35 0.02 2
146 . 19 ILE HG13 H 1.07 0.02 2
147 . 19 ILE HD1 H 0.73 0.02 1
148 . 19 ILE CD1 C 12.9 0.2 1
149 . 19 ILE C C 173.0 0.2 1
150 . 20 SER N N 117.9 0.1 1
151 . 20 SER H H 8.14 0.02 1
152 . 20 SER CA C 58.1 0.2 1
153 . 20 SER HA H 4.34 0.02 1
154 . 20 SER CB C 63.6 0.2 1
155 . 20 SER HB2 H 3.76 0.02 1
156 . 20 SER HB3 H 3.76 0.02 1
157 . 20 SER C C 172.6 0.2 1
158 . 21 SER N N 117.9 0.1 1
159 . 21 SER H H 8.25 0.02 1
160 . 21 SER CA C 58.3 0.2 1
161 . 21 SER HA H 4.34 0.02 1
162 . 21 SER CB C 63.8 0.2 1
163 . 21 SER HB2 H 3.74 0.02 2
164 . 21 SER HB3 H 3.49 0.02 2
165 . 21 SER C C 172.4 0.2 1
166 . 22 GLU N N 122.0 0.1 1
167 . 22 GLU H H 8.31 0.02 1
168 . 22 GLU CA C 56.6 0.2 1
169 . 22 GLU HA H 4.08 0.02 1
170 . 22 GLU CB C 29.6 0.2 1
171 . 22 GLU HB2 H 1.81 0.02 2
172 . 22 GLU HB3 H 1.74 0.02 2
173 . 22 GLU HG2 H 2.02 0.02 2
174 . 22 GLU HG3 H 1.94 0.02 2
175 . 22 GLU C C 174.2 0.2 1
176 . 23 PHE N N 120.0 0.1 1
177 . 23 PHE H H 8.05 0.02 1
178 . 23 PHE CA C 58.1 0.2 1
179 . 23 PHE HA H 4.42 0.02 1
180 . 23 PHE CB C 39.1 0.2 1
181 . 23 PHE HB2 H 3.09 0.02 2
182 . 23 PHE HB3 H 2.95 0.02 2
183 . 23 PHE HD1 H 7.16 0.02 1
184 . 23 PHE HD2 H 7.16 0.02 1
185 . 23 PHE HE1 H 7.28 0.02 1
186 . 23 PHE HE2 H 7.28 0.02 1
187 . 23 PHE C C 174.2 0.2 1
188 . 24 GLY N N 109.6 0.1 1
189 . 24 GLY H H 8.15 0.02 1
190 . 24 GLY CA C 45.2 0.2 1
191 . 24 GLY HA2 H 3.76 0.02 1
192 . 24 GLY HA3 H 3.76 0.02 1
193 . 24 GLY C C 171.6 0.2 1
194 . 25 ARG N N 119.9 0.1 1
195 . 25 ARG H H 7.87 0.02 1
196 . 25 ARG CA C 55.6 0.2 1
197 . 25 ARG HA H 4.17 0.02 1
198 . 25 ARG CB C 30.3 0.2 1
199 . 25 ARG HB2 H 1.68 0.02 1
200 . 25 ARG HB3 H 1.68 0.02 1
201 . 25 ARG HG2 H 1.47 0.02 1
202 . 25 ARG HG3 H 1.47 0.02 1
203 . 25 ARG HD2 H 2.94 0.02 1
204 . 25 ARG HD3 H 2.94 0.02 1
205 . 25 ARG C C 173.8 0.2 1
206 . 26 ARG N N 122.2 0.1 1
207 . 26 ARG H H 8.17 0.02 1
208 . 26 ARG CA C 54.8 0.2 1
209 . 26 ARG HA H 4.19 0.02 1
210 . 26 ARG CB C 30.0 0.2 1
211 . 26 ARG HB2 H 1.45 0.02 1
212 . 26 ARG HB3 H 1.45 0.02 1
213 . 26 ARG HG2 H 1.30 0.02 1
214 . 26 ARG HG3 H 1.30 0.02 1
215 . 26 ARG HD2 H 3.03 0.02 1
216 . 26 ARG HD3 H 3.03 0.02 1
217 . 26 ARG C C 173.6 0.2 1
218 . 27 VAL N N 120.8 0.1 1
219 . 27 VAL H H 7.98 0.02 1
220 . 27 VAL CA C 61.8 0.2 1
221 . 27 VAL HA H 4.10 0.02 1
222 . 27 VAL CB C 32.2 0.2 1
223 . 27 VAL HB H 2.04 0.02 1
224 . 27 VAL CG1 C 21.3 0.2 1
225 . 27 VAL CG2 C 20.3 0.2 1
226 . 27 VAL HG1 H 0.80 0.02 2
227 . 27 VAL C C 173.6 0.2 1
228 . 28 TRP N N 125.1 0.1 1
229 . 28 TRP H H 8.27 0.02 1
230 . 28 TRP CA C 57.0 0.2 1
231 . 28 TRP HA H 4.66 0.02 1
232 . 28 TRP CB C 29.7 0.2 1
233 . 28 TRP HB2 H 3.25 0.02 2
234 . 28 TRP HB3 H 3.10 0.02 2
235 . 28 TRP NE1 N 129.5 0.1 1
236 . 28 TRP HD1 H 7.14 0.02 1
237 . 28 TRP HE1 H 10.03 0.02 1
238 . 28 TRP HZ2 H 7.37 0.02 1
239 . 28 TRP C C 173.7 0.2 1
240 . 29 THR N N 115.4 0.1 1
241 . 29 THR H H 7.85 0.02 1
242 . 29 THR CA C 60.8 0.2 1
243 . 29 THR HA H 4.23 0.02 1
244 . 29 THR CB C 69.5 0.2 1
245 . 29 THR HB H 3.94 0.02 1
246 . 29 THR HG2 H 1.02 0.02 1
247 . 29 THR CG2 C 21.0 0.2 1
248 . 29 THR C C 172.1 0.2 1
249 . 30 SER N N 117.1 0.1 1
250 . 30 SER H H 8.03 0.02 1
251 . 30 SER CA C 57.8 0.2 1
252 . 30 SER HA H 4.26 0.02 1
253 . 30 SER CB C 63.7 0.2 1
254 . 30 SER HB2 H 3.74 0.02 1
255 . 30 SER HB3 H 3.74 0.02 1
256 . 30 SER C C 171.2 0.2 1
257 . 31 ALA N N 126.6 0.1 1
258 . 31 ALA H H 8.03 0.02 1
259 . 31 ALA CA C 50.1 0.2 1
260 . 31 ALA HA H 4.46 0.02 1
261 . 31 ALA HB H 1.23 0.02 1
262 . 31 ALA CB C 18.1 0.2 1
263 . 31 ALA C C 172.3 0.2 1
264 . 34 PRO CA C 62.0 0.2 1
265 . 34 PRO CB C 31.9 0.2 1
266 . 34 PRO HG2 H 2.25 0.02 1
267 . 34 PRO HG3 H 2.25 0.02 1
268 . 34 PRO C C 173.8 0.2 1
269 . 35 GLN N N 117.9 0.1 1
270 . 35 GLN H H 8.17 0.02 1
271 . 35 GLN CA C 55.5 0.2 1
272 . 35 GLN HA H 3.60 0.02 1
273 . 35 GLN CB C 28.9 0.2 1
274 . 35 GLN HB2 H 1.83 0.02 2
275 . 35 GLN HB3 H 1.72 0.02 2
276 . 35 GLN HG2 H 2.27 0.02 1
277 . 35 GLN HG3 H 2.27 0.02 1
278 . 35 GLN C C 173.4 0.2 1
279 . 36 ARG N N 124.5 0.1 1
280 . 36 ARG H H 7.91 0.02 1
281 . 36 ARG CA C 53.4 0.2 1
282 . 36 ARG HA H 4.61 0.02 1
283 . 36 ARG CB C 30.9 0.2 1
284 . 36 ARG HB2 H 1.70 0.02 2
285 . 36 ARG HB3 H 1.46 0.02 2
286 . 36 ARG HG2 H 1.32 0.02 2
287 . 36 ARG HG3 H 1.26 0.02 2
288 . 36 ARG HD2 H 2.68 0.02 1
289 . 36 ARG HD3 H 2.68 0.02 1
290 . 36 ARG C C 169.8 0.2 1
291 . 37 PRO CA C 61.9 0.2 1
292 . 37 PRO HA H 4.79 0.02 1
293 . 37 PRO CB C 32.4 0.2 1
294 . 37 PRO HB2 H 1.84 0.02 1
295 . 37 PRO HB3 H 1.84 0.02 1
296 . 37 PRO HG2 H 2.26 0.02 1
297 . 37 PRO HG3 H 2.26 0.02 1
298 . 37 PRO HD2 H 3.48 0.02 2
299 . 37 PRO HD3 H 3.29 0.02 2
300 . 37 PRO C C 172.8 0.2 1
301 . 38 PHE N N 125.3 0.1 1
302 . 38 PHE H H 8.02 0.02 1
303 . 38 PHE CA C 54.6 0.2 1
304 . 38 PHE HA H 4.30 0.02 1
305 . 38 PHE CB C 40.9 0.2 1
306 . 38 PHE HB2 H 3.06 0.02 2
307 . 38 PHE HB3 H 2.93 0.02 2
308 . 38 PHE HD1 H 6.94 0.02 1
309 . 38 PHE HD2 H 6.94 0.02 1
310 . 38 PHE HE1 H 7.08 0.02 1
311 . 38 PHE HE2 H 7.08 0.02 1
312 . 38 PHE C C 174.3 0.2 1
313 . 39 ARG N N 119.7 0.1 1
314 . 39 ARG H H 8.05 0.02 1
315 . 39 ARG CA C 54.3 0.2 1
316 . 39 ARG HA H 5.22 0.02 1
317 . 39 ARG CB C 38.6 0.2 1
318 . 39 ARG HB2 H 1.52 0.02 1
319 . 39 ARG HB3 H 1.52 0.02 1
320 . 39 ARG C C 172.7 0.2 1
321 . 40 VAL N N 114.1 0.1 1
322 . 40 VAL H H 9.05 0.02 1
323 . 40 VAL CA C 58.1 0.2 1
324 . 40 VAL HA H 5.87 0.02 1
325 . 40 VAL CB C 35.4 0.2 1
326 . 40 VAL HB H 2.00 0.02 1
327 . 40 VAL HG1 H 0.75 0.02 2
328 . 40 VAL HG2 H 0.64 0.02 2
329 . 40 VAL CG1 C 22.5 0.2 1
330 . 40 VAL CG2 C 19.3 0.2 1
331 . 40 VAL C C 172.4 0.2 1
332 . 41 CYS N N 116.7 0.1 1
333 . 41 CYS H H 8.56 0.02 1
334 . 41 CYS CA C 54.8 0.2 1
335 . 41 CYS HA H 5.73 0.02 1
336 . 41 CYS CB C 33.7 0.2 1
337 . 41 CYS HB2 H 3.09 0.02 2
338 . 41 CYS HB3 H 2.66 0.02 2
339 . 41 CYS C C 169.4 0.2 1
340 . 42 ASP N N 117.1 0.1 1
341 . 42 ASP H H 8.73 0.02 1
342 . 42 ASP CA C 52.1 0.2 1
343 . 42 ASP HA H 4.88 0.02 1
344 . 42 ASP CB C 41.9 0.2 1
345 . 42 ASP HB2 H 3.34 0.02 2
346 . 42 ASP HB3 H 2.35 0.02 2
347 . 42 ASP C C 176.2 0.2 1
348 . 43 HIS N N 119.1 0.1 1
349 . 43 HIS H H 9.81 0.02 1
350 . 43 HIS CA C 57.4 0.2 1
351 . 43 HIS HA H 4.92 0.02 1
352 . 43 HIS CB C 30.9 0.2 1
353 . 43 HIS HB2 H 3.01 0.02 1
354 . 43 HIS HB3 H 3.01 0.02 1
355 . 43 HIS HD1 H 7.00 0.02 1
356 . 43 HIS HD2 H 7.28 0.02 1
357 . 43 HIS C C 173.4 0.2 1
358 . 44 LYS N N 119.1 0.1 1
359 . 44 LYS H H 7.04 0.02 1
360 . 44 LYS CA C 54.6 0.2 1
361 . 44 LYS HA H 4.06 0.02 1
362 . 44 LYS CB C 31.9 0.2 1
363 . 44 LYS HB2 H 1.38 0.02 2
364 . 44 LYS HB3 H 1.32 0.02 2
365 . 44 LYS CG C 28.4 0.2 1
366 . 44 LYS HG2 H 1.70 0.02 2
367 . 44 LYS HG3 H 1.65 0.02 2
368 . 44 LYS CD C 23.9 0.2 1
369 . 44 LYS HD2 H 0.43 0.02 1
370 . 44 LYS HD3 H 0.43 0.02 1
371 . 44 LYS CE C 41.4 0.2 1
372 . 44 LYS HE2 H 2.74 0.02 1
373 . 44 LYS HE3 H 2.74 0.02 1
374 . 44 LYS C C 172.9 0.2 1
375 . 45 ARG N N 116.7 0.1 1
376 . 45 ARG H H 8.04 0.02 1
377 . 45 ARG CA C 57.3 0.2 1
378 . 45 ARG HA H 3.40 0.02 1
379 . 45 ARG CB C 26.4 0.2 1
380 . 45 ARG HB2 H 1.35 0.02 1
381 . 45 ARG HB3 H 1.35 0.02 1
382 . 45 ARG HG2 H 1.69 0.02 1
383 . 45 ARG HG3 H 1.69 0.02 1
384 . 45 ARG HD2 H 3.11 0.02 1
385 . 45 ARG HD3 H 3.11 0.02 1
386 . 45 ARG C C 173.2 0.2 1
387 . 46 THR N N 114.8 0.1 1
388 . 46 THR H H 9.54 0.02 1
389 . 46 THR CA C 64.1 0.2 1
390 . 46 THR HA H 3.99 0.02 1
391 . 46 THR CB C 69.5 0.2 1
392 . 46 THR HB H 4.05 0.02 1
393 . 46 THR HG2 H 1.07 0.02 1
394 . 46 THR CG2 C 22.1 0.2 1
395 . 46 THR C C 172.7 0.2 1
396 . 47 ILE N N 122.2 0.1 1
397 . 47 ILE H H 8.19 0.02 1
398 . 47 ILE CA C 60.1 0.2 1
399 . 47 ILE HA H 4.16 0.02 1
400 . 47 ILE CB C 40.1 0.2 1
401 . 47 ILE HB H 1.65 0.02 1
402 . 47 ILE HG2 H 0.78 0.02 1
403 . 47 ILE CG2 C 17.5 0.2 1
404 . 47 ILE HG12 H 1.44 0.02 1
405 . 47 ILE HG13 H 1.44 0.02 1
406 . 47 ILE HD1 H 0.74 0.02 1
407 . 47 ILE CD1 C 13.7 0.2 1
408 . 47 ILE C C 171.2 0.2 1
409 . 48 ARG N N 124.1 0.1 1
410 . 48 ARG H H 8.07 0.02 1
411 . 48 ARG CA C 54.6 0.2 1
412 . 48 ARG HA H 5.01 0.02 1
413 . 48 ARG CB C 31.6 0.2 1
414 . 48 ARG HB2 H 1.37 0.02 2
415 . 48 ARG HB3 H 1.29 0.02 2
416 . 48 ARG HG2 H 1.24 0.02 1
417 . 48 ARG HG3 H 1.24 0.02 1
418 . 48 ARG HD2 H 2.66 0.02 1
419 . 48 ARG HD3 H 2.66 0.02 1
420 . 48 ARG C C 173.4 0.2 1
421 . 49 LYS N N 123.3 0.1 1
422 . 49 LYS H H 8.82 0.02 1
423 . 49 LYS CA C 53.6 0.2 1
424 . 49 LYS HA H 4.67 0.02 1
425 . 49 LYS CB C 36.1 0.2 1
426 . 49 LYS HB2 H 1.53 0.02 2
427 . 49 LYS HB3 H 1.40 0.02 2
428 . 49 LYS HG2 H 1.27 0.02 1
429 . 49 LYS HG3 H 1.27 0.02 1
430 . 49 LYS C C 173.0 0.2 1
431 . 50 GLY N N 110.0 0.1 1
432 . 50 GLY H H 8.63 0.02 1
433 . 50 GLY CA C 44.6 0.2 1
434 . 50 GLY HA2 H 4.69 0.02 2
435 . 50 GLY HA3 H 3.53 0.02 2
436 . 50 GLY C C 170.5 0.2 1
437 . 51 LEU N N 121.7 0.1 1
438 . 51 LEU H H 8.63 0.02 1
439 . 51 LEU CA C 53.6 0.2 1
440 . 51 LEU HA H 4.79 0.02 1
441 . 51 LEU CB C 45.0 0.2 1
442 . 51 LEU HB2 H 1.75 0.02 1
443 . 51 LEU HB3 H 1.75 0.02 1
444 . 51 LEU HG H 1.51 0.02 1
445 . 51 LEU HD1 H 0.81 0.02 2
446 . 51 LEU HD2 H 0.68 0.02 2
447 . 51 LEU CD1 C 25.5 0.2 1
448 . 51 LEU CD2 C 25.2 0.2 1
449 . 51 LEU C C 173.5 0.2 1
450 . 52 THR N N 110.9 0.1 1
451 . 52 THR H H 8.16 0.02 1
452 . 52 THR CA C 59.4 0.2 1
453 . 52 THR HA H 5.53 0.02 1
454 . 52 THR CB C 71.1 0.2 1
455 . 52 THR HB H 3.79 0.02 1
456 . 52 THR HG2 H 0.85 0.02 1
457 . 52 THR CG2 C 20.5 0.2 1
458 . 52 THR C C 171.5 0.2 1
459 . 53 ALA N N 121.6 0.1 1
460 . 53 ALA H H 9.41 0.02 1
461 . 53 ALA CA C 52.2 0.2 1
462 . 53 ALA HA H 4.65 0.02 1
463 . 53 ALA HB H 1.45 0.02 1
464 . 53 ALA CB C 23.4 0.2 1
465 . 53 ALA C C 174.5 0.2 1
466 . 54 ALA N N 121.6 0.1 1
467 . 54 ALA H H 9.23 0.02 1
468 . 54 ALA CA C 52.0 0.2 1
469 . 54 ALA HA H 5.03 0.02 1
470 . 54 ALA HB H 1.28 0.02 1
471 . 54 ALA CB C 21.6 0.2 1
472 . 54 ALA C C 175.5 0.2 1
473 . 55 THR N N 104.5 0.1 1
474 . 55 THR H H 7.00 0.02 1
475 . 55 THR CA C 58.1 0.2 1
476 . 55 THR HA H 4.46 0.02 1
477 . 55 THR CB C 72.9 0.2 1
478 . 55 THR HB H 4.60 0.02 1
479 . 55 THR HG2 H 1.06 0.02 1
480 . 55 THR CG2 C 21.5 0.2 1
481 . 55 THR C C 170.8 0.2 1
482 . 56 ARG N N 126.2 0.1 1
483 . 56 ARG H H 10.26 0.02 1
484 . 56 ARG CA C 58.2 0.2 1
485 . 56 ARG HA H 4.37 0.02 1
486 . 56 ARG CB C 28.4 0.2 1
487 . 56 ARG HB2 H 2.24 0.02 1
488 . 56 ARG HB3 H 2.24 0.02 1
489 . 56 ARG HD2 H 3.17 0.02 1
490 . 56 ARG HD3 H 3.17 0.02 1
491 . 56 ARG C C 175.2 0.2 1
492 . 57 GLN N N 112.7 0.1 1
493 . 57 GLN H H 8.06 0.02 1
494 . 57 GLN CA C 58.4 0.2 1
495 . 57 GLN HA H 3.95 0.02 1
496 . 57 GLN HB2 H 2.14 0.02 2
497 . 57 GLN HB3 H 2.02 0.02 2
498 . 57 GLN HG2 H 2.37 0.02 1
499 . 57 GLN HG3 H 2.37 0.02 1
500 . 57 GLN C C 175.2 0.2 1
501 . 58 GLU N N 117.1 0.1 1
502 . 58 GLU H H 8.13 0.02 1
503 . 58 GLU CA C 58.4 0.2 1
504 . 58 GLU HA H 3.63 0.02 1
505 . 58 GLU CB C 28.1 0.2 1
506 . 58 GLU HB2 H 2.31 0.02 2
507 . 58 GLU HB3 H 2.22 0.02 2
508 . 58 GLU HG2 H 1.88 0.02 1
509 . 58 GLU HG3 H 1.88 0.02 1
510 . 58 GLU C C 176.0 0.2 1
511 . 59 LEU N N 120.8 0.1 1
512 . 59 LEU H H 7.83 0.02 1
513 . 59 LEU CA C 58.4 0.2 1
514 . 59 LEU HA H 3.63 0.02 1
515 . 59 LEU CB C 39.9 0.2 1
516 . 59 LEU HB2 H 1.55 0.02 1
517 . 59 LEU HB3 H 1.55 0.02 1
518 . 59 LEU HG H 1.18 0.02 1
519 . 59 LEU HD1 H 0.70 0.02 2
520 . 59 LEU HD2 H 0.57 0.02 2
521 . 59 LEU CD1 C 25.6 0.2 1
522 . 59 LEU CD2 C 26.1 0.2 1
523 . 59 LEU C C 176.4 0.2 1
524 . 60 LEU N N 117.5 0.1 1
525 . 60 LEU H H 8.04 0.02 1
526 . 60 LEU CA C 57.8 0.2 1
527 . 60 LEU HA H 3.65 0.02 1
528 . 60 LEU CB C 41.1 0.2 1
529 . 60 LEU HB2 H 1.76 0.02 1
530 . 60 LEU HB3 H 1.76 0.02 1
531 . 60 LEU HG H 1.32 0.02 1
532 . 60 LEU HD1 H 0.67 0.02 2
533 . 60 LEU HD2 H 0.62 0.02 2
534 . 60 LEU CD1 C 25.3 0.2 1
535 . 60 LEU CD2 C 24.0 0.2 1
536 . 60 LEU C C 176.4 0.2 1
537 . 61 ALA N N 121.6 0.1 1
538 . 61 ALA H H 7.63 0.02 1
539 . 61 ALA CA C 54.9 0.2 1
540 . 61 ALA HA H 4.00 0.02 1
541 . 61 ALA HB H 1.42 0.02 1
542 . 61 ALA CB C 17.6 0.2 1
543 . 61 ALA C C 178.9 0.2 1
544 . 62 LYS N N 117.9 0.1 1
545 . 62 LYS H H 8.35 0.02 1
546 . 62 LYS CA C 58.9 0.2 1
547 . 62 LYS HA H 4.12 0.02 1
548 . 62 LYS CB C 33.6 0.2 1
549 . 62 LYS HB2 H 1.81 0.02 1
550 . 62 LYS HB3 H 1.81 0.02 1
551 . 62 LYS HG2 H 1.29 0.02 1
552 . 62 LYS HG3 H 1.29 0.02 1
553 . 62 LYS HD2 H 1.57 0.02 1
554 . 62 LYS HD3 H 1.57 0.02 1
555 . 62 LYS HE2 H 3.65 0.02 1
556 . 62 LYS HE3 H 3.65 0.02 1
557 . 62 LYS C C 177.8 0.2 1
558 . 63 ALA N N 123.7 0.1 1
559 . 63 ALA H H 9.10 0.02 1
560 . 63 ALA CA C 54.9 0.2 1
561 . 63 ALA HA H 3.67 0.02 1
562 . 63 ALA HB H 1.23 0.02 1
563 . 63 ALA CB C 18.4 0.2 1
564 . 63 ALA C C 175.9 0.2 1
565 . 64 LEU N N 117.7 0.1 1
566 . 64 LEU H H 7.62 0.02 1
567 . 64 LEU CA C 59.2 0.2 1
568 . 64 LEU HA H 3.60 0.02 1
569 . 64 LEU CB C 41.4 0.2 1
570 . 64 LEU HB2 H 1.46 0.02 1
571 . 64 LEU HB3 H 1.46 0.02 1
572 . 64 LEU HG H 1.25 0.02 1
573 . 64 LEU HD1 H 0.76 0.02 2
574 . 64 LEU HD2 H 0.66 0.02 2
575 . 64 LEU CD1 C 25.3 0.2 1
576 . 64 LEU CD2 C 25.8 0.2 1
577 . 64 LEU C C 176.2 0.2 1
578 . 65 GLU N N 114.2 0.1 1
579 . 65 GLU H H 6.94 0.02 1
580 . 65 GLU CA C 58.0 0.2 1
581 . 65 GLU HA H 4.12 0.02 1
582 . 65 GLU CB C 30.0 0.2 1
583 . 65 GLU HB2 H 2.06 0.02 2
584 . 65 GLU HB3 H 1.99 0.02 2
585 . 65 GLU HG2 H 2.31 0.02 2
586 . 65 GLU HG3 H 2.17 0.02 2
587 . 65 GLU C C 176.5 0.2 1
588 . 66 THR N N 113.3 0.1 1
589 . 66 THR H H 8.17 0.02 1
590 . 66 THR CA C 65.3 0.2 1
591 . 66 THR HA H 4.04 0.02 1
592 . 66 THR CB C 69.1 0.2 1
593 . 66 THR HB H 3.89 0.02 1
594 . 66 THR HG2 H 1.05 0.02 1
595 . 66 THR CG2 C 21.8 0.2 1
596 . 66 THR C C 172.5 0.2 1
597 . 67 LEU N N 117.7 0.1 1
598 . 67 LEU H H 8.12 0.02 1
599 . 67 LEU CA C 54.1 0.2 1
600 . 67 LEU HA H 4.33 0.02 1
601 . 67 LEU CB C 40.8 0.2 1
602 . 67 LEU HB2 H 1.74 0.02 2
603 . 67 LEU HB3 H 1.69 0.02 2
604 . 67 LEU HG H 1.45 0.02 1
605 . 67 LEU HD1 H 0.62 0.02 2
606 . 67 LEU HD2 H 0.69 0.02 2
607 . 67 LEU CD1 C 26.3 0.2 1
608 . 67 LEU CD2 C 22.8 0.2 1
609 . 67 LEU C C 172.4 0.2 1
610 . 68 LEU N N 115.8 0.1 1
611 . 68 LEU H H 7.21 0.02 1
612 . 68 LEU CA C 55.5 0.2 1
613 . 68 LEU HA H 4.04 0.02 1
614 . 68 LEU CB C 37.1 0.2 1
615 . 68 LEU HB2 H 1.93 0.02 1
616 . 68 LEU HB3 H 1.93 0.02 1
617 . 68 LEU HG H 1.45 0.02 1
618 . 68 LEU HD1 H 0.84 0.02 2
619 . 68 LEU HD2 H 0.81 0.02 2
620 . 68 LEU CD1 C 25.3 0.2 1
621 . 68 LEU CD2 C 23.5 0.2 1
622 . 68 LEU C C 174.1 0.2 1
623 . 69 LEU N N 117.5 0.1 1
624 . 69 LEU H H 7.60 0.02 1
625 . 69 LEU CA C 52.8 0.2 1
626 . 69 LEU HA H 4.56 0.02 1
627 . 69 LEU CB C 44.0 0.2 1
628 . 69 LEU HB2 H 1.45 0.02 1
629 . 69 LEU HB3 H 1.45 0.02 1
630 . 69 LEU HG H 1.43 0.02 1
631 . 69 LEU HD1 H 0.74 0.02 2
632 . 69 LEU HD2 H 0.64 0.02 2
633 . 69 LEU C C 172.5 0.2 1
634 . 70 ASN N N 114.2 0.1 1
635 . 70 ASN H H 7.82 0.02 1
636 . 70 ASN CA C 52.8 0.2 1
637 . 70 ASN HA H 4.71 0.02 1
638 . 70 ASN CB C 42.6 0.2 1
639 . 70 ASN HB2 H 2.49 0.02 1
640 . 70 ASN HB3 H 2.49 0.02 1
641 . 70 ASN HD21 H 7.28 0.02 1
642 . 70 ASN HD22 H 7.28 0.02 1
643 . 70 ASN C C 171.7 0.2 1
644 . 71 GLY N N 108.4 0.1 1
645 . 71 GLY H H 8.31 0.02 1
646 . 71 GLY CA C 44.4 0.2 1
647 . 71 GLY HA2 H 3.99 0.02 2
648 . 71 GLY HA3 H 3.60 0.02 2
649 . 71 GLY C C 170.2 0.2 1
650 . 72 VAL N N 119.9 0.1 1
651 . 72 VAL H H 8.04 0.02 1
652 . 72 VAL CA C 63.0 0.2 1
653 . 72 VAL HA H 3.76 0.02 1
654 . 72 VAL CB C 31.6 0.2 1
655 . 72 VAL HB H 1.83 0.02 1
656 . 72 VAL HG1 H 0.81 0.02 2
657 . 72 VAL HG2 H 0.82 0.02 2
658 . 72 VAL CG1 C 21.0 0.2 1
659 . 72 VAL CG2 C 21.3 0.2 1
660 . 72 VAL C C 174.2 0.2 1
661 . 73 LEU N N 127.8 0.1 1
662 . 73 LEU H H 8.23 0.02 1
663 . 73 LEU CA C 52.8 0.2 1
664 . 73 LEU HA H 5.17 0.02 1
665 . 73 LEU CB C 43.9 0.2 1
666 . 73 LEU HB2 H 1.56 0.02 2
667 . 73 LEU HB3 H 1.10 0.02 2
668 . 73 LEU HG H 1.09 0.02 1
669 . 73 LEU HD1 H 0.67 0.02 2
670 . 73 LEU HD2 H 0.46 0.02 2
671 . 73 LEU CD1 C 25.9 0.2 1
672 . 73 LEU CD2 C 23.5 0.2 1
673 . 73 LEU C C 174.3 0.2 1
674 . 74 THR N N 112.9 0.1 1
675 . 74 THR H H 8.76 0.02 1
676 . 74 THR CA C 61.0 0.2 1
677 . 74 THR HA H 4.22 0.02 1
678 . 74 THR CB C 70.9 0.2 1
679 . 74 THR HB H 4.03 0.02 1
680 . 74 THR HG2 H 1.02 0.02 1
681 . 74 THR CG2 C 21.6 0.2 1
682 . 74 THR C C 169.7 0.2 1
683 . 75 LEU N N 122.9 0.1 1
684 . 75 LEU H H 8.37 0.02 1
685 . 75 LEU CA C 53.0 0.2 1
686 . 75 LEU HA H 5.07 0.02 1
687 . 75 LEU CB C 45.9 0.2 1
688 . 75 LEU HB2 H 1.79 0.02 1
689 . 75 LEU HB3 H 1.79 0.02 1
690 . 75 LEU HG H 1.32 0.02 1
691 . 75 LEU HD1 H 0.77 0.02 2
692 . 75 LEU HD2 H 0.74 0.02 2
693 . 75 LEU CD2 C 25.5 0.2 1
694 . 75 LEU C C 173.5 0.2 1
695 . 76 VAL N N 117.5 0.1 1
696 . 76 VAL H H 8.84 0.02 1
697 . 76 VAL CA C 57.5 0.2 1
698 . 76 VAL HA H 5.12 0.02 1
699 . 76 VAL CB C 35.4 0.2 1
700 . 76 VAL HB H 1.54 0.02 1
701 . 76 VAL HG1 H 0.62 0.02 1
702 . 76 VAL HG2 H 0.62 0.02 1
703 . 76 VAL CG1 C 21.3 0.2 1
704 . 76 VAL CG2 C 20.3 0.2 1
705 . 76 VAL C C 173.0 0.2 1
706 . 77 LEU N N 121.2 0.1 1
707 . 77 LEU H H 8.98 0.02 1
708 . 77 LEU CA C 55.3 0.2 1
709 . 77 LEU HA H 4.19 0.02 1
710 . 77 LEU CB C 39.6 0.2 1
711 . 77 LEU HB2 H 1.89 0.02 1
712 . 77 LEU HB3 H 1.89 0.02 1
713 . 77 LEU HG H 1.53 0.02 1
714 . 77 LEU HD1 H 0.78 0.02 2
715 . 77 LEU HD2 H 0.76 0.02 2
716 . 77 LEU CD1 C 25.1 0.2 1
717 . 77 LEU CD2 C 23.8 0.2 1
718 . 77 LEU C C 175.5 0.2 1
719 . 78 GLU N N 125.8 0.1 1
720 . 78 GLU H H 8.43 0.02 1
721 . 78 GLU CA C 60.3 0.2 1
722 . 78 GLU HA H 4.17 0.02 1
723 . 78 GLU CB C 28.6 0.2 1
724 . 78 GLU HB2 H 0.76 0.02 1
725 . 78 GLU HB3 H 0.76 0.02 1
726 . 78 GLU HG2 H 1.60 0.02 1
727 . 78 GLU HG3 H 1.60 0.02 1
728 . 78 GLU C C 176.9 0.2 1
729 . 79 GLU N N 116.2 0.1 1
730 . 79 GLU H H 9.10 0.02 1
731 . 79 GLU CA C 59.3 0.2 1
732 . 79 GLU HA H 4.04 0.02 1
733 . 79 GLU CB C 29.5 0.2 1
734 . 79 GLU HB2 H 1.75 0.02 2
735 . 79 GLU HB3 H 1.60 0.02 2
736 . 79 GLU HG2 H 2.12 0.02 2
737 . 79 GLU HG3 H 2.03 0.02 2
738 . 79 GLU C C 175.0 0.2 1
739 . 80 ASP N N 111.2 0.1 1
740 . 80 ASP H H 6.38 0.02 1
741 . 80 ASP CA C 52.8 0.2 1
742 . 80 ASP HA H 4.42 0.02 1
743 . 80 ASP CB C 42.2 0.2 1
744 . 80 ASP HB2 H 2.70 0.02 2
745 . 80 ASP HB3 H 2.20 0.02 2
746 . 80 ASP C C 173.1 0.2 1
747 . 81 GLY N N 109.2 0.1 1
748 . 81 GLY H H 7.36 0.02 1
749 . 81 GLY CA C 44.6 0.2 1
750 . 81 GLY HA2 H 2.33 0.02 1
751 . 81 GLY HA3 H 2.33 0.02 1
752 . 81 GLY C C 171.4 0.2 1
753 . 82 THR N N 117.5 0.1 1
754 . 82 THR H H 7.65 0.02 1
755 . 82 THR CA C 64.4 0.2 1
756 . 82 THR HA H 3.51 0.02 1
757 . 82 THR CB C 68.5 0.2 1
758 . 82 THR HB H 3.84 0.02 1
759 . 82 THR HG2 H 1.09 0.02 1
760 . 82 THR CG2 C 21.0 0.2 1
761 . 82 THR C C 171.9 0.2 1
762 . 83 ALA N N 128.8 0.1 1
763 . 83 ALA H H 8.53 0.02 1
764 . 83 ALA CA C 53.0 0.2 1
765 . 83 ALA HA H 4.16 0.02 1
766 . 83 ALA HB H 1.27 0.02 1
767 . 83 ALA CB C 18.6 0.2 1
768 . 83 ALA C C 174.4 0.2 1
769 . 84 VAL N N 122.9 0.1 1
770 . 84 VAL H H 8.15 0.02 1
771 . 84 VAL CA C 60.1 0.2 1
772 . 84 VAL HA H 3.99 0.02 1
773 . 84 VAL CB C 29.8 0.2 1
774 . 84 VAL HB H 1.85 0.02 1
775 . 84 VAL HG1 H 0.85 0.02 2
776 . 84 VAL HG2 H 0.65 0.02 2
777 . 84 VAL CG1 C 21.8 0.2 1
778 . 84 VAL CG2 C 20.0 0.2 1
779 . 84 VAL C C 173.5 0.2 1
780 . 85 ASP N N 123.7 0.1 1
781 . 85 ASP H H 8.59 0.02 1
782 . 85 ASP CA C 54.6 0.2 1
783 . 85 ASP HA H 4.48 0.02 1
784 . 85 ASP CB C 41.4 0.2 1
785 . 85 ASP HB2 H 2.61 0.02 2
786 . 85 ASP HB3 H 2.52 0.02 2
787 . 85 ASP C C 172.4 0.2 1
788 . 86 SER N N 110.0 0.1 1
789 . 86 SER H H 7.34 0.02 1
790 . 86 SER CA C 55.6 0.2 1
791 . 86 SER HA H 4.81 0.02 1
792 . 86 SER CB C 67.1 0.2 1
793 . 86 SER HB2 H 4.21 0.02 2
794 . 86 SER HB3 H 3.82 0.02 2
795 . 86 SER C C 172.2 0.2 1
796 . 87 GLU N N 123.3 0.1 1
797 . 87 GLU H H 9.09 0.02 1
798 . 87 GLU CA C 57.9 0.2 1
799 . 87 GLU HA H 4.36 0.02 1
800 . 87 GLU CB C 28.5 0.2 1
801 . 87 GLU HB2 H 2.11 0.02 2
802 . 87 GLU HB3 H 1.93 0.02 2
803 . 87 GLU HG2 H 2.40 0.02 2
804 . 87 GLU HG3 H 2.39 0.02 2
805 . 87 GLU C C 176.2 0.2 1
806 . 88 ASP N N 116.6 0.1 1
807 . 88 ASP H H 8.26 0.02 1
808 . 88 ASP CA C 56.7 0.2 1
809 . 88 ASP HA H 4.22 0.02 1
810 . 88 ASP CB C 39.9 0.2 1
811 . 88 ASP HB2 H 2.50 0.02 1
812 . 88 ASP HB3 H 2.50 0.02 1
813 . 88 ASP C C 175.6 0.2 1
814 . 89 PHE N N 118.7 0.1 1
815 . 89 PHE H H 7.79 0.02 1
816 . 89 PHE CA C 59.3 0.2 1
817 . 89 PHE HA H 4.30 0.02 1
818 . 89 PHE CB C 39.9 0.2 1
819 . 89 PHE HB2 H 3.96 0.02 2
820 . 89 PHE HB3 H 3.00 0.02 2
821 . 89 PHE HD1 H 7.09 0.02 1
822 . 89 PHE HD2 H 7.09 0.02 1
823 . 89 PHE HE1 H 6.95 0.02 1
824 . 89 PHE HE2 H 6.95 0.02 1
825 . 89 PHE C C 175.6 0.2 1
826 . 90 PHE N N 118.8 0.1 1
827 . 90 PHE H H 7.74 0.02 1
828 . 90 PHE CA C 60.9 0.2 1
829 . 90 PHE HA H 4.46 0.02 1
830 . 90 PHE CB C 39.8 0.2 1
831 . 90 PHE HB2 H 2.17 0.02 1
832 . 90 PHE HB3 H 2.17 0.02 1
833 . 90 PHE HD1 H 6.74 0.02 1
834 . 90 PHE HD2 H 6.74 0.02 1
835 . 90 PHE HE1 H 6.43 0.02 1
836 . 90 PHE HE2 H 6.43 0.02 1
837 . 90 PHE HZ H 6.30 0.02 1
838 . 90 PHE C C 174.5 0.2 1
839 . 91 GLN N N 113.7 0.1 1
840 . 91 GLN H H 8.04 0.02 1
841 . 91 GLN CA C 56.9 0.2 1
842 . 91 GLN HA H 4.09 0.02 1
843 . 91 GLN CB C 27.9 0.2 1
844 . 91 GLN HB2 H 2.02 0.02 2
845 . 91 GLN HB3 H 1.95 0.02 2
846 . 91 GLN HG2 H 1.81 0.02 2
847 . 91 GLN HG3 H 1.75 0.02 2
848 . 91 GLN C C 174.4 0.2 1
849 . 92 LEU N N 116.7 0.1 1
850 . 92 LEU H H 7.24 0.02 1
851 . 92 LEU CA C 54.5 0.2 1
852 . 92 LEU HA H 4.13 0.02 1
853 . 92 LEU CB C 41.6 0.2 1
854 . 92 LEU HB2 H 1.79 0.02 2
855 . 92 LEU HB3 H 1.70 0.02 2
856 . 92 LEU HG H 1.44 0.02 1
857 . 92 LEU HD1 H 0.71 0.02 2
858 . 92 LEU HD2 H 0.53 0.02 2
859 . 92 LEU CD1 C 25.4 0.2 1
860 . 92 LEU CD2 C 22.6 0.2 1
861 . 92 LEU C C 175.5 0.2 1
862 . 93 LEU N N 118.7 0.1 1
863 . 93 LEU H H 7.09 0.02 1
864 . 93 LEU CA C 54.5 0.2 1
865 . 93 LEU HA H 4.04 0.02 1
866 . 93 LEU CB C 41.5 0.2 1
867 . 93 LEU HB2 H 1.84 0.02 2
868 . 93 LEU HB3 H 1.65 0.02 2
869 . 93 LEU HG H 1.23 0.02 1
870 . 93 LEU HD1 H 0.53 0.02 2
871 . 93 LEU HD2 H 0.62 0.02 2
872 . 93 LEU CD1 C 26.9 0.2 1
873 . 93 LEU CD2 C 22.8 0.2 1
874 . 93 LEU C C 175.5 0.2 1
875 . 94 GLU N N 121.2 0.1 1
876 . 94 GLU H H 8.56 0.02 1
877 . 94 GLU CA C 55.5 0.2 1
878 . 94 GLU HA H 4.10 0.02 1
879 . 94 GLU CB C 29.9 0.2 1
880 . 94 GLU HB2 H 1.75 0.02 1
881 . 94 GLU HB3 H 1.75 0.02 1
882 . 94 GLU HG2 H 2.31 0.02 1
883 . 94 GLU HG3 H 2.31 0.02 1
884 . 94 GLU C C 175.0 0.2 1
885 . 95 ASP N N 124.1 0.1 1
886 . 95 ASP H H 8.78 0.02 1
887 . 95 ASP CA C 55.6 0.2 1
888 . 95 ASP HA H 3.73 0.02 1
889 . 95 ASP CB C 39.6 0.2 1
890 . 95 ASP HB2 H 2.37 0.02 2
891 . 95 ASP HB3 H 2.21 0.02 2
892 . 95 ASP C C 173.9 0.2 1
893 . 96 ASP N N 117.5 0.1 1
894 . 96 ASP H H 8.96 0.02 1
895 . 96 ASP CA C 55.4 0.2 1
896 . 96 ASP HA H 3.98 0.02 1
897 . 96 ASP CB C 39.8 0.2 1
898 . 96 ASP HB2 H 2.80 0.02 2
899 . 96 ASP HB3 H 2.34 0.02 2
900 . 96 ASP C C 173.0 0.2 1
901 . 97 THR N N 115.8 0.1 1
902 . 97 THR H H 7.29 0.02 1
903 . 97 THR CA C 55.0 0.2 1
904 . 97 THR HA H 3.56 0.02 1
905 . 97 THR CB C 69.6 0.2 1
906 . 97 THR HB H 4.03 0.02 1
907 . 97 THR HG2 H 1.27 0.02 1
908 . 97 THR CG2 C 22.6 0.2 1
909 . 97 THR C C 170.4 0.2 1
910 . 98 CYS N N 124.1 0.1 1
911 . 98 CYS H H 8.82 0.02 1
912 . 98 CYS CA C 57.8 0.2 1
913 . 98 CYS HA H 5.07 0.02 1
914 . 98 CYS CB C 27.4 0.2 1
915 . 98 CYS HB2 H 3.20 0.02 2
916 . 98 CYS HB3 H 2.73 0.02 2
917 . 98 CYS C C 171.8 0.2 1
918 . 99 LEU N N 131.5 0.1 1
919 . 99 LEU H H 9.62 0.02 1
920 . 99 LEU CA C 53.6 0.2 1
921 . 99 LEU HA H 4.98 0.02 1
922 . 99 LEU CB C 43.6 0.2 1
923 . 99 LEU HB2 H 1.64 0.02 1
924 . 99 LEU HB3 H 1.64 0.02 1
925 . 99 LEU HG H 1.42 0.02 1
926 . 99 LEU HD1 H 0.66 0.02 2
927 . 99 LEU HD2 H 0.74 0.02 2
928 . 99 LEU CD1 C 26.5 0.2 1
929 . 99 LEU CD2 C 25.8 0.2 1
930 . 99 LEU C C 172.1 0.2 1
931 . 100 MET N N 123.7 0.1 1
932 . 100 MET H H 9.39 0.02 1
933 . 100 MET CA C 53.8 0.2 1
934 . 100 MET HA H 5.09 0.02 1
935 . 100 MET CB C 35.6 0.2 1
936 . 100 MET HB2 H 1.84 0.02 2
937 . 100 MET HB3 H 1.61 0.02 2
938 . 100 MET HE H 2.03 0.02 1
939 . 100 MET CE C 16.0 0.2 1
940 . 100 MET C C 171.1 0.2 1
941 . 101 VAL N N 126.2 0.1 1
942 . 101 VAL H H 8.50 0.02 1
943 . 101 VAL CA C 60.1 0.2 1
944 . 101 VAL HA H 4.58 0.02 1
945 . 101 VAL CB C 31.7 0.2 1
946 . 101 VAL HB H 1.73 0.02 1
947 . 101 VAL HG1 H 0.66 0.02 2
948 . 101 VAL HG2 H 0.63 0.02 2
949 . 101 VAL CG1 C 23.9 0.2 1
950 . 101 VAL CG2 C 20.5 0.2 1
951 . 101 VAL C C 171.8 0.2 1
952 . 102 LEU N N 124.9 0.1 1
953 . 102 LEU H H 8.69 0.02 1
954 . 102 LEU CA C 52.9 0.2 1
955 . 102 LEU HA H 4.61 0.02 1
956 . 102 LEU CB C 43.2 0.2 1
957 . 102 LEU HB2 H 1.72 0.02 1
958 . 102 LEU HB3 H 1.72 0.02 1
959 . 102 LEU HG H 1.33 0.02 1
960 . 102 LEU HD1 H 0.64 0.02 2
961 . 102 LEU HD2 H 0.74 0.02 2
962 . 102 LEU CD1 C 27.4 0.2 1
963 . 102 LEU CD2 C 22.0 0.2 1
964 . 102 LEU C C 174.8 0.2 1
965 . 103 GLN N N 118.7 0.1 1
966 . 103 GLN H H 7.89 0.02 1
967 . 103 GLN CA C 53.9 0.2 1
968 . 103 GLN HA H 4.56 0.02 1
969 . 103 GLN CB C 30.6 0.2 1
970 . 103 GLN HB2 H 1.51 0.02 1
971 . 103 GLN HB3 H 1.51 0.02 1
972 . 103 GLN HG2 H 2.17 0.02 1
973 . 103 GLN HG3 H 2.17 0.02 1
974 . 103 GLN C C 172.7 0.2 1
975 . 104 SER N N 115.8 0.1 1
976 . 104 SER H H 8.59 0.02 1
977 . 104 SER CA C 60.0 0.2 1
978 . 104 SER HA H 4.49 0.02 1
979 . 104 SER CB C 62.9 0.2 1
980 . 104 SER HB2 H 3.17 0.02 1
981 . 104 SER HB3 H 3.17 0.02 1
982 . 104 SER C C 173.6 0.2 1
983 . 105 GLY N N 114.2 0.1 1
984 . 105 GLY H H 8.83 0.02 1
985 . 105 GLY CA C 45.1 0.2 1
986 . 105 GLY HA2 H 4.09 0.02 1
987 . 105 GLY HA3 H 4.09 0.02 1
988 . 105 GLY C C 172.0 0.2 1
989 . 106 GLN N N 118.3 0.1 1
990 . 106 GLN H H 7.66 0.02 1
991 . 106 GLN CA C 53.9 0.2 1
992 . 106 GLN HA H 4.46 0.02 1
993 . 106 GLN CB C 29.6 0.2 1
994 . 106 GLN HB2 H 2.17 0.02 1
995 . 106 GLN HB3 H 2.17 0.02 1
996 . 106 GLN HG2 H 1.77 0.02 1
997 . 106 GLN HG3 H 1.77 0.02 1
998 . 106 GLN HE21 H 6.95 0.02 1
999 . 106 GLN HE22 H 6.95 0.02 1
1000 . 106 GLN C C 172.8 0.2 1
1001 . 107 SER N N 113.8 0.1 1
1002 . 107 SER H H 8.71 0.02 1
1003 . 107 SER CA C 56.9 0.2 1
1004 . 107 SER HA H 4.78 0.02 1
1005 . 107 SER CB C 66.2 0.2 1
1006 . 107 SER HB2 H 3.82 0.02 2
1007 . 107 SER HB3 H 3.70 0.02 2
1008 . 107 SER C C 171.1 0.2 1
1009 . 108 TRP N N 124.1 0.1 1
1010 . 108 TRP H H 9.13 0.02 1
1011 . 108 TRP CA C 59.3 0.2 1
1012 . 108 TRP HA H 4.19 0.02 1
1013 . 108 TRP CB C 28.9 0.2 1
1014 . 108 TRP HB2 H 3.17 0.02 2
1015 . 108 TRP HB3 H 2.99 0.02 2
1016 . 108 TRP NE1 N 130.6 0.1 1
1017 . 108 TRP HD1 H 7.32 0.02 1
1018 . 108 TRP HE1 H 10.14 0.02 1
1019 . 108 TRP HZ2 H 7.17 0.02 1
1020 . 108 TRP C C 172.0 0.2 1
1021 . 109 SER N N 120.8 0.1 1
1022 . 109 SER H H 6.03 0.02 1
1023 . 109 SER CA C 54.8 0.2 1
1024 . 109 SER HA H 4.05 0.02 1
1025 . 109 SER CB C 64.4 0.2 1
1026 . 109 SER HB2 H 3.53 0.02 2
1027 . 109 SER HB3 H 3.40 0.02 2
1028 . 109 SER C C 167.2 0.2 1
1029 . 110 PRO CA C 61.9 0.2 1
1030 . 110 PRO CB C 31.6 0.2 1
1031 . 110 PRO C C 174.5 0.2 1
1032 . 111 THR N N 112.9 0.1 1
1033 . 111 THR H H 8.27 0.02 1
1034 . 111 THR CA C 61.4 0.2 1
1035 . 111 THR HA H 3.93 0.02 1
1036 . 111 THR CB C 69.3 0.2 1
1037 . 111 THR HB H 4.00 0.02 1
1038 . 111 THR HG2 H 1.05 0.02 1
1039 . 111 THR CG2 C 21.3 0.2 1
1040 . 111 THR C C 172.3 0.2 1
1041 . 112 ARG N N 122.0 0.1 1
1042 . 112 ARG H H 8.20 0.02 1
1043 . 112 ARG CA C 55.9 0.2 1
1044 . 112 ARG HA H 4.19 0.02 1
1045 . 112 ARG CB C 30.2 0.2 1
1046 . 112 ARG HB2 H 1.73 0.02 2
1047 . 112 ARG HB3 H 1.62 0.02 2
1048 . 112 ARG HG2 H 1.43 0.02 2
1049 . 112 ARG HG3 H 1.35 0.02 2
1050 . 112 ARG HD2 H 3.08 0.02 1
1051 . 112 ARG HD3 H 3.08 0.02 1
1052 . 112 ARG C C 174.0 0.2 1
1053 . 113 SER N N 116.0 0.1 1
1054 . 113 SER H H 8.08 0.02 1
1055 . 113 SER CA C 57.9 0.2 1
1056 . 113 SER HA H 4.28 0.02 1
1057 . 113 SER CB C 63.9 0.2 1
1058 . 113 SER HB2 H 3.75 0.02 1
1059 . 113 SER HB3 H 3.75 0.02 1
1060 . 113 SER C C 172.4 0.2 1
1061 . 114 GLY N N 110.9 0.1 1
1062 . 114 GLY H H 8.29 0.02 1
1063 . 114 GLY CA C 45.1 0.2 1
1064 . 114 GLY HA2 H 3.87 0.02 1
1065 . 114 GLY HA3 H 3.87 0.02 1
1066 . 114 GLY C C 171.6 0.2 1
1067 . 115 VAL N N 119.0 0.1 1
1068 . 115 VAL H H 7.85 0.02 1
1069 . 115 VAL CA C 61.8 0.2 1
1070 . 115 VAL HA H 3.94 0.02 1
1071 . 115 VAL CB C 32.5 0.2 1
1072 . 115 VAL HB H 1.89 0.02 1
1073 . 115 VAL HG1 H 0.73 0.02 2
1074 . 115 VAL HG2 H 0.76 0.02 2
1075 . 115 VAL CG1 C 20.8 0.2 1
1076 . 115 VAL CG2 C 20.3 0.2 1
1077 . 115 VAL C C 173.6 0.2 1
1078 . 116 LEU N N 125.3 0.1 1
1079 . 116 LEU H H 8.16 0.02 1
1080 . 116 LEU CA C 53.6 0.2 1
1081 . 116 LEU HA H 4.19 0.02 1
1082 . 116 LEU CB C 41.2 0.2 1
1083 . 116 LEU HB2 H 1.44 0.02 1
1084 . 116 LEU HB3 H 1.44 0.02 1
1085 . 116 LEU HG H 1.30 0.02 1
1086 . 116 LEU HD1 H 0.78 0.02 2
1087 . 116 LEU HD2 H 0.70 0.02 2
1088 . 116 LEU CD1 C 24.5 0.2 1
1089 . 116 LEU CD2 C 23.3 0.2 1
1090 . 116 LEU C C 175.0 0.2 1
stop_
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