data_10160
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the 17th filamin domain from human Filamin-B
;
_BMRB_accession_number 10160
_BMRB_flat_file_name bmr10160.str
_Entry_type new
_Submission_date 2007-12-28
_Accession_date 2008-01-06
_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 Tomizawa T. . .
2 Koshiba S. . .
3 Watanabe S. . .
4 Harada T. . .
5 Kigawa T. . .
6 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 603
"13C chemical shifts" 470
"15N chemical shifts" 105
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-02-20 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the 17th filamin domain from human Filamin-B'
_Citation_status 'in preparation'
_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 Tomizawa T. . .
2 Koshiba S. . .
3 Watanabe S. . .
4 Harada T. . .
5 Kigawa T. . .
6 Yokoyama S. . .
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 .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name Filamin-B
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Filamin-B $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'filamin domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 115
_Mol_residue_sequence
;
GSSGSSGPESPLQFYVNYPN
SGSVSAYGPGLVYGVANKTA
TFTIVTEDAGEGGLDLAIEG
PSKAEISCIDNKDGTCTVTY
LPTLPGDYSILVKYNDKHIP
GSPFTAKITDDSRRC
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 PRO 9 GLU 10 SER
11 PRO 12 LEU 13 GLN 14 PHE 15 TYR
16 VAL 17 ASN 18 TYR 19 PRO 20 ASN
21 SER 22 GLY 23 SER 24 VAL 25 SER
26 ALA 27 TYR 28 GLY 29 PRO 30 GLY
31 LEU 32 VAL 33 TYR 34 GLY 35 VAL
36 ALA 37 ASN 38 LYS 39 THR 40 ALA
41 THR 42 PHE 43 THR 44 ILE 45 VAL
46 THR 47 GLU 48 ASP 49 ALA 50 GLY
51 GLU 52 GLY 53 GLY 54 LEU 55 ASP
56 LEU 57 ALA 58 ILE 59 GLU 60 GLY
61 PRO 62 SER 63 LYS 64 ALA 65 GLU
66 ILE 67 SER 68 CYS 69 ILE 70 ASP
71 ASN 72 LYS 73 ASP 74 GLY 75 THR
76 CYS 77 THR 78 VAL 79 THR 80 TYR
81 LEU 82 PRO 83 THR 84 LEU 85 PRO
86 GLY 87 ASP 88 TYR 89 SER 90 ILE
91 LEU 92 VAL 93 LYS 94 TYR 95 ASN
96 ASP 97 LYS 98 HIS 99 ILE 100 PRO
101 GLY 102 SER 103 PRO 104 PHE 105 THR
106 ALA 107 LYS 108 ILE 109 THR 110 ASP
111 ASP 112 SER 113 ARG 114 ARG 115 CYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-06-23
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 2EEA "Solution Structure Of The 17th Filamin Domain From Human Filamin-B" 100.00 115 100.00 100.00 1.22e-75
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa 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_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P060619-15
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
$entity_1 1.17 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM .
NaCl 100 mM .
d-DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name topspin
_Version 1.3
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20060524
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRview
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name kujira
_Version 0.9823
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
'structure solution'
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model 'AVANCE II'
_Field_strength 900
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 296 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
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
'3D 13C-separated NOESY'
'3D 15N-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name Filamin-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 7 7 GLY CA C 44.699 0.300 1
2 7 7 GLY HA3 H 4.124 0.030 1
3 7 7 GLY HA2 H 4.124 0.030 1
4 8 8 PRO CA C 63.321 0.300 1
5 8 8 PRO HA H 4.418 0.030 1
6 8 8 PRO CB C 32.104 0.300 1
7 8 8 PRO HB3 H 1.922 0.030 2
8 8 8 PRO CG C 27.214 0.300 1
9 8 8 PRO HG3 H 1.987 0.030 1
10 8 8 PRO CD C 49.764 0.300 1
11 8 8 PRO HD3 H 3.590 0.030 2
12 8 8 PRO C C 177.159 0.300 1
13 8 8 PRO HB2 H 2.253 0.030 2
14 8 8 PRO HD2 H 3.636 0.030 2
15 8 8 PRO HG2 H 1.987 0.030 1
16 9 9 GLU N N 120.837 0.300 1
17 9 9 GLU H H 8.612 0.030 1
18 9 9 GLU CA C 56.642 0.300 1
19 9 9 GLU HA H 4.282 0.030 1
20 9 9 GLU CB C 30.181 0.300 1
21 9 9 GLU HB3 H 1.934 0.030 1
22 9 9 GLU CG C 36.281 0.300 1
23 9 9 GLU HG3 H 2.261 0.030 1
24 9 9 GLU C C 176.387 0.300 1
25 9 9 GLU HB2 H 1.934 0.030 1
26 9 9 GLU HG2 H 2.261 0.030 1
27 10 10 SER N N 117.776 0.300 1
28 10 10 SER H H 8.264 0.030 1
29 10 10 SER CA C 56.382 0.300 1
30 10 10 SER HA H 4.763 0.030 1
31 10 10 SER CB C 63.575 0.300 1
32 10 10 SER HB3 H 3.843 0.030 1
33 10 10 SER C C 172.958 0.300 1
34 10 10 SER HB2 H 3.843 0.030 1
35 11 11 PRO CA C 63.404 0.300 1
36 11 11 PRO HA H 4.432 0.030 1
37 11 11 PRO CB C 31.958 0.300 1
38 11 11 PRO HB3 H 2.287 0.030 1
39 11 11 PRO CG C 27.214 0.300 1
40 11 11 PRO HG3 H 1.995 0.030 1
41 11 11 PRO CD C 50.765 0.300 1
42 11 11 PRO HD3 H 3.715 0.030 2
43 11 11 PRO C C 176.922 0.300 1
44 11 11 PRO HB2 H 2.287 0.030 1
45 11 11 PRO HD2 H 3.806 0.030 2
46 11 11 PRO HG2 H 1.995 0.030 1
47 12 12 LEU N N 121.245 0.300 1
48 12 12 LEU H H 8.172 0.030 1
49 12 12 LEU CA C 55.521 0.300 1
50 12 12 LEU HA H 4.236 0.030 1
51 12 12 LEU CB C 42.138 0.300 1
52 12 12 LEU HB3 H 1.585 0.030 2
53 12 12 LEU CG C 27.087 0.300 1
54 12 12 LEU HG H 1.593 0.030 1
55 12 12 LEU CD1 C 25.044 0.300 2
56 12 12 LEU HD1 H 0.915 0.030 1
57 12 12 LEU CD2 C 23.566 0.300 2
58 12 12 LEU HD2 H 0.858 0.030 1
59 12 12 LEU C C 177.236 0.300 1
60 12 12 LEU HB2 H 1.487 0.030 2
61 13 13 GLN N N 120.086 0.300 1
62 13 13 GLN H H 8.098 0.030 1
63 13 13 GLN CA C 55.785 0.300 1
64 13 13 GLN HA H 4.220 0.030 1
65 13 13 GLN CB C 29.628 0.300 1
66 13 13 GLN HB3 H 1.878 0.030 1
67 13 13 GLN CG C 33.679 0.300 1
68 13 13 GLN HG3 H 2.164 0.030 1
69 13 13 GLN NE2 N 112.338 0.300 1
70 13 13 GLN HE21 H 7.427 0.030 2
71 13 13 GLN HE22 H 6.847 0.030 2
72 13 13 GLN C C 175.243 0.300 1
73 13 13 GLN HB2 H 1.878 0.030 1
74 13 13 GLN HG2 H 2.164 0.030 1
75 14 14 PHE N N 120.461 0.300 1
76 14 14 PHE H H 8.056 0.030 1
77 14 14 PHE CA C 57.739 0.300 1
78 14 14 PHE HA H 4.545 0.030 1
79 14 14 PHE CB C 39.825 0.300 1
80 14 14 PHE HB3 H 3.009 0.030 2
81 14 14 PHE CD1 C 131.730 0.300 1
82 14 14 PHE HD1 H 7.120 0.030 1
83 14 14 PHE CD2 C 131.730 0.300 1
84 14 14 PHE HD2 H 7.120 0.030 1
85 14 14 PHE CE1 C 131.506 0.300 1
86 14 14 PHE HE1 H 7.294 0.030 1
87 14 14 PHE CE2 C 131.506 0.300 1
88 14 14 PHE HE2 H 7.294 0.030 1
89 14 14 PHE CZ C 129.879 0.300 1
90 14 14 PHE HZ H 7.263 0.030 1
91 14 14 PHE C C 175.022 0.300 1
92 14 14 PHE HB2 H 2.907 0.030 2
93 15 15 TYR N N 121.213 0.300 1
94 15 15 TYR H H 8.004 0.030 1
95 15 15 TYR CA C 57.756 0.300 1
96 15 15 TYR HA H 4.506 0.030 1
97 15 15 TYR CB C 39.012 0.300 1
98 15 15 TYR HB3 H 2.979 0.030 2
99 15 15 TYR CD1 C 133.266 0.300 1
100 15 15 TYR HD1 H 7.057 0.030 1
101 15 15 TYR CD2 C 133.266 0.300 1
102 15 15 TYR HD2 H 7.057 0.030 1
103 15 15 TYR CE1 C 118.163 0.300 1
104 15 15 TYR HE1 H 6.805 0.030 1
105 15 15 TYR CE2 C 118.163 0.300 1
106 15 15 TYR HE2 H 6.805 0.030 1
107 15 15 TYR C C 175.174 0.300 1
108 15 15 TYR HB2 H 2.859 0.030 2
109 16 16 VAL N N 121.693 0.300 1
110 16 16 VAL H H 7.900 0.030 1
111 16 16 VAL CA C 62.248 0.300 1
112 16 16 VAL HA H 3.932 0.030 1
113 16 16 VAL CB C 33.023 0.300 1
114 16 16 VAL HB H 1.896 0.030 1
115 16 16 VAL CG1 C 21.060 0.300 2
116 16 16 VAL HG1 H 0.752 0.030 1
117 16 16 VAL CG2 C 20.751 0.300 2
118 16 16 VAL HG2 H 0.850 0.030 1
119 16 16 VAL C C 175.016 0.300 1
120 17 17 ASN N N 121.488 0.300 1
121 17 17 ASN H H 8.198 0.030 1
122 17 17 ASN CA C 52.948 0.300 1
123 17 17 ASN HA H 4.630 0.030 1
124 17 17 ASN CB C 39.289 0.300 1
125 17 17 ASN HB3 H 2.666 0.030 2
126 17 17 ASN ND2 N 112.673 0.300 1
127 17 17 ASN HD21 H 7.533 0.030 2
128 17 17 ASN HD22 H 6.894 0.030 2
129 17 17 ASN C C 174.167 0.300 1
130 17 17 ASN HB2 H 2.599 0.030 2
131 18 18 TYR N N 122.069 0.300 1
132 18 18 TYR H H 8.117 0.030 1
133 18 18 TYR CA C 55.970 0.300 1
134 18 18 TYR HA H 4.771 0.030 1
135 18 18 TYR CB C 38.260 0.300 1
136 18 18 TYR HB3 H 3.042 0.030 2
137 18 18 TYR CD1 C 133.433 0.300 1
138 18 18 TYR HD1 H 7.120 0.030 1
139 18 18 TYR CD2 C 133.433 0.300 1
140 18 18 TYR HD2 H 7.120 0.030 1
141 18 18 TYR CE1 C 118.144 0.300 1
142 18 18 TYR HE1 H 6.805 0.030 1
143 18 18 TYR CE2 C 118.144 0.300 1
144 18 18 TYR HE2 H 6.805 0.030 1
145 18 18 TYR C C 173.978 0.300 1
146 18 18 TYR HB2 H 2.820 0.030 2
147 19 19 PRO CA C 63.378 0.300 1
148 19 19 PRO HA H 4.414 0.030 1
149 19 19 PRO CB C 32.018 0.300 1
150 19 19 PRO HB3 H 1.927 0.030 2
151 19 19 PRO CG C 27.301 0.300 1
152 19 19 PRO HG3 H 1.965 0.030 1
153 19 19 PRO CD C 50.587 0.300 1
154 19 19 PRO HD3 H 3.668 0.030 2
155 19 19 PRO C C 176.659 0.300 1
156 19 19 PRO HB2 H 2.238 0.030 2
157 19 19 PRO HD2 H 3.518 0.030 2
158 19 19 PRO HG2 H 1.965 0.030 1
159 20 20 ASN N N 118.582 0.300 1
160 20 20 ASN H H 8.508 0.030 1
161 20 20 ASN CA C 53.334 0.300 1
162 20 20 ASN HA H 4.756 0.030 1
163 20 20 ASN CB C 38.964 0.300 1
164 20 20 ASN HB3 H 2.898 0.030 2
165 20 20 ASN ND2 N 113.208 0.300 1
166 20 20 ASN HD21 H 7.662 0.030 2
167 20 20 ASN HD22 H 6.971 0.030 2
168 20 20 ASN C C 175.301 0.300 1
169 20 20 ASN HB2 H 2.805 0.030 2
170 21 21 SER N N 115.989 0.300 1
171 21 21 SER H H 8.360 0.030 1
172 21 21 SER CA C 58.877 0.300 1
173 21 21 SER HA H 4.481 0.030 1
174 21 21 SER CB C 63.988 0.300 1
175 21 21 SER HB3 H 3.965 0.030 1
176 21 21 SER C C 175.006 0.300 1
177 21 21 SER HB2 H 3.965 0.030 1
178 22 22 GLY N N 110.974 0.300 1
179 22 22 GLY H H 8.523 0.030 1
180 22 22 GLY CA C 45.429 0.300 1
181 22 22 GLY HA3 H 4.074 0.030 1
182 22 22 GLY C C 173.860 0.300 1
183 22 22 GLY HA2 H 4.074 0.030 1
184 23 23 SER N N 115.179 0.300 1
185 23 23 SER H H 8.190 0.030 1
186 23 23 SER CA C 58.233 0.300 1
187 23 23 SER HA H 4.511 0.030 1
188 23 23 SER CB C 64.511 0.300 1
189 23 23 SER HB3 H 3.783 0.030 2
190 23 23 SER C C 173.263 0.300 1
191 23 23 SER HB2 H 3.825 0.030 2
192 24 24 VAL N N 122.289 0.300 1
193 24 24 VAL H H 7.889 0.030 1
194 24 24 VAL CA C 61.754 0.300 1
195 24 24 VAL HA H 4.567 0.030 1
196 24 24 VAL CB C 33.612 0.300 1
197 24 24 VAL HB H 1.723 0.030 1
198 24 24 VAL CG1 C 21.858 0.300 2
199 24 24 VAL HG1 H 0.756 0.030 1
200 24 24 VAL CG2 C 21.589 0.300 2
201 24 24 VAL HG2 H 0.367 0.030 1
202 24 24 VAL C C 174.799 0.300 1
203 25 25 SER N N 118.995 0.300 1
204 25 25 SER H H 8.244 0.030 1
205 25 25 SER CA C 57.102 0.300 1
206 25 25 SER HA H 5.039 0.030 1
207 25 25 SER CB C 66.338 0.300 1
208 25 25 SER HB3 H 3.876 0.030 1
209 25 25 SER C C 171.718 0.300 1
210 25 25 SER HB2 H 3.876 0.030 1
211 26 26 ALA N N 121.537 0.300 1
212 26 26 ALA H H 8.503 0.030 1
213 26 26 ALA CA C 50.695 0.300 1
214 26 26 ALA HA H 5.637 0.030 1
215 26 26 ALA CB C 23.364 0.300 1
216 26 26 ALA HB H 1.186 0.030 1
217 26 26 ALA C C 175.355 0.300 1
218 27 27 TYR N N 116.588 0.300 1
219 27 27 TYR H H 8.885 0.030 1
220 27 27 TYR CA C 57.013 0.300 1
221 27 27 TYR HA H 4.742 0.030 1
222 27 27 TYR CB C 40.325 0.300 1
223 27 27 TYR HB3 H 3.110 0.030 2
224 27 27 TYR CD1 C 133.687 0.300 1
225 27 27 TYR HD1 H 6.884 0.030 1
226 27 27 TYR CD2 C 133.687 0.300 1
227 27 27 TYR HD2 H 6.884 0.030 1
228 27 27 TYR CE1 C 117.752 0.300 1
229 27 27 TYR HE1 H 6.702 0.030 1
230 27 27 TYR CE2 C 117.752 0.300 1
231 27 27 TYR HE2 H 6.702 0.030 1
232 27 27 TYR C C 172.990 0.300 1
233 27 27 TYR HB2 H 2.999 0.030 2
234 28 28 GLY N N 108.423 0.300 1
235 28 28 GLY H H 8.475 0.030 1
236 28 28 GLY CA C 44.439 0.300 1
237 28 28 GLY HA3 H 4.141 0.030 2
238 28 28 GLY C C 173.419 0.300 1
239 28 28 GLY HA2 H 5.092 0.030 2
240 29 29 PRO CA C 65.537 0.300 1
241 29 29 PRO HA H 4.298 0.030 1
242 29 29 PRO CB C 31.509 0.300 1
243 29 29 PRO HB3 H 2.121 0.030 2
244 29 29 PRO CG C 27.601 0.300 1
245 29 29 PRO HG3 H 2.144 0.030 2
246 29 29 PRO CD C 50.066 0.300 1
247 29 29 PRO HD3 H 3.699 0.030 2
248 29 29 PRO C C 178.493 0.300 1
249 29 29 PRO HB2 H 2.367 0.030 2
250 29 29 PRO HD2 H 3.868 0.030 2
251 29 29 PRO HG2 H 2.442 0.030 2
252 30 30 GLY N N 102.459 0.300 1
253 30 30 GLY H H 8.655 0.030 1
254 30 30 GLY CA C 46.245 0.300 1
255 30 30 GLY HA3 H 3.417 0.030 2
256 30 30 GLY C C 172.945 0.300 1
257 30 30 GLY HA2 H 4.316 0.030 2
258 31 31 LEU N N 116.436 0.300 1
259 31 31 LEU H H 7.049 0.030 1
260 31 31 LEU CA C 55.368 0.300 1
261 31 31 LEU HA H 3.784 0.030 1
262 31 31 LEU CB C 42.148 0.300 1
263 31 31 LEU HB3 H 1.032 0.030 2
264 31 31 LEU CG C 25.873 0.300 1
265 31 31 LEU HG H 0.471 0.030 1
266 31 31 LEU CD1 C 23.563 0.300 2
267 31 31 LEU HD1 H -0.153 0.030 1
268 31 31 LEU CD2 C 19.390 0.300 2
269 31 31 LEU HD2 H -1.144 0.030 1
270 31 31 LEU C C 175.321 0.300 1
271 31 31 LEU HB2 H 1.339 0.030 2
272 32 32 VAL N N 112.078 0.300 1
273 32 32 VAL H H 7.739 0.030 1
274 32 32 VAL CA C 62.956 0.300 1
275 32 32 VAL HA H 4.574 0.030 1
276 32 32 VAL CB C 35.415 0.300 1
277 32 32 VAL HB H 2.182 0.030 1
278 32 32 VAL CG1 C 22.103 0.300 2
279 32 32 VAL HG1 H 1.100 0.030 1
280 32 32 VAL CG2 C 20.937 0.300 2
281 32 32 VAL HG2 H 0.995 0.030 1
282 32 32 VAL C C 176.810 0.300 1
283 33 33 TYR N N 121.116 0.300 1
284 33 33 TYR H H 8.638 0.030 1
285 33 33 TYR CA C 56.523 0.300 1
286 33 33 TYR HA H 5.639 0.030 1
287 33 33 TYR CB C 42.165 0.300 1
288 33 33 TYR HB3 H 3.088 0.030 2
289 33 33 TYR CD1 C 133.625 0.300 1
290 33 33 TYR HD1 H 7.103 0.030 1
291 33 33 TYR CD2 C 133.625 0.300 1
292 33 33 TYR HD2 H 7.103 0.030 1
293 33 33 TYR CE1 C 117.987 0.300 1
294 33 33 TYR HE1 H 6.813 0.030 1
295 33 33 TYR CE2 C 117.987 0.300 1
296 33 33 TYR HE2 H 6.813 0.030 1
297 33 33 TYR C C 172.858 0.300 1
298 33 33 TYR HB2 H 3.230 0.030 2
299 34 34 GLY N N 107.313 0.300 1
300 34 34 GLY H H 7.637 0.030 1
301 34 34 GLY CA C 44.721 0.300 1
302 34 34 GLY HA3 H 3.793 0.030 2
303 34 34 GLY C C 170.727 0.300 1
304 34 34 GLY HA2 H 3.873 0.030 2
305 35 35 VAL N N 120.853 0.300 1
306 35 35 VAL H H 8.731 0.030 1
307 35 35 VAL CA C 60.627 0.300 1
308 35 35 VAL HA H 4.589 0.030 1
309 35 35 VAL CB C 35.374 0.300 1
310 35 35 VAL HB H 1.641 0.030 1
311 35 35 VAL CG1 C 21.132 0.300 2
312 35 35 VAL HG1 H 0.941 0.030 1
313 35 35 VAL CG2 C 21.251 0.300 2
314 35 35 VAL HG2 H 0.831 0.030 1
315 35 35 VAL C C 174.813 0.300 1
316 36 36 ALA N N 127.708 0.300 1
317 36 36 ALA H H 8.482 0.030 1
318 36 36 ALA CA C 53.332 0.300 1
319 36 36 ALA HA H 3.535 0.030 1
320 36 36 ALA CB C 17.653 0.300 1
321 36 36 ALA HB H 0.998 0.030 1
322 36 36 ALA C C 176.968 0.300 1
323 37 37 ASN N N 111.234 0.300 1
324 37 37 ASN H H 9.147 0.030 1
325 37 37 ASN CA C 55.728 0.300 1
326 37 37 ASN HA H 3.962 0.030 1
327 37 37 ASN CB C 37.147 0.300 1
328 37 37 ASN HB3 H 3.071 0.030 2
329 37 37 ASN ND2 N 113.783 0.300 1
330 37 37 ASN HD21 H 6.687 0.030 2
331 37 37 ASN HD22 H 7.616 0.030 2
332 37 37 ASN C C 173.119 0.300 1
333 37 37 ASN HB2 H 2.919 0.030 2
334 38 38 LYS N N 119.100 0.300 1
335 38 38 LYS H H 7.972 0.030 1
336 38 38 LYS CA C 54.306 0.300 1
337 38 38 LYS HA H 4.606 0.030 1
338 38 38 LYS CB C 34.799 0.300 1
339 38 38 LYS HB3 H 1.772 0.030 2
340 38 38 LYS CG C 24.906 0.300 1
341 38 38 LYS HG3 H 1.304 0.030 1
342 38 38 LYS CD C 28.778 0.300 1
343 38 38 LYS HD3 H 1.659 0.030 2
344 38 38 LYS CE C 42.298 0.300 1
345 38 38 LYS HE3 H 2.992 0.030 2
346 38 38 LYS C C 175.533 0.300 1
347 38 38 LYS HB2 H 1.668 0.030 2
348 38 38 LYS HD2 H 1.561 0.030 2
349 38 38 LYS HE2 H 2.943 0.030 2
350 38 38 LYS HG2 H 1.304 0.030 1
351 39 39 THR N N 114.730 0.300 1
352 39 39 THR H H 8.158 0.030 1
353 39 39 THR CA C 63.302 0.300 1
354 39 39 THR HA H 4.138 0.030 1
355 39 39 THR CB C 69.652 0.300 1
356 39 39 THR HB H 3.871 0.030 1
357 39 39 THR CG2 C 22.844 0.300 1
358 39 39 THR HG2 H 1.069 0.030 1
359 39 39 THR C C 174.281 0.300 1
360 40 40 ALA N N 129.891 0.300 1
361 40 40 ALA H H 8.750 0.030 1
362 40 40 ALA CA C 50.399 0.300 1
363 40 40 ALA HA H 4.702 0.030 1
364 40 40 ALA CB C 20.495 0.300 1
365 40 40 ALA HB H 0.631 0.030 1
366 40 40 ALA C C 176.039 0.300 1
367 41 41 THR N N 112.902 0.300 1
368 41 41 THR H H 8.536 0.030 1
369 41 41 THR CA C 59.688 0.300 1
370 41 41 THR HA H 5.779 0.030 1
371 41 41 THR CB C 72.348 0.300 1
372 41 41 THR HB H 3.800 0.030 1
373 41 41 THR CG2 C 20.316 0.300 1
374 41 41 THR HG2 H 1.077 0.030 1
375 41 41 THR C C 173.286 0.300 1
376 42 42 PHE N N 119.525 0.300 1
377 42 42 PHE H H 8.825 0.030 1
378 42 42 PHE CA C 57.031 0.300 1
379 42 42 PHE HA H 5.013 0.030 1
380 42 42 PHE CB C 40.155 0.300 1
381 42 42 PHE HB3 H 2.694 0.030 2
382 42 42 PHE CD1 C 132.410 0.300 1
383 42 42 PHE HD1 H 6.665 0.030 1
384 42 42 PHE CD2 C 132.410 0.300 1
385 42 42 PHE HD2 H 6.665 0.030 1
386 42 42 PHE CE1 C 130.268 0.300 1
387 42 42 PHE HE1 H 6.822 0.030 1
388 42 42 PHE CE2 C 130.268 0.300 1
389 42 42 PHE HE2 H 6.822 0.030 1
390 42 42 PHE CZ C 129.259 0.300 1
391 42 42 PHE HZ H 6.732 0.030 1
392 42 42 PHE C C 171.282 0.300 1
393 42 42 PHE HB2 H 3.002 0.030 2
394 43 43 THR N N 117.427 0.300 1
395 43 43 THR H H 9.210 0.030 1
396 43 43 THR CA C 62.250 0.300 1
397 43 43 THR HA H 4.987 0.030 1
398 43 43 THR CB C 71.510 0.300 1
399 43 43 THR HB H 2.841 0.030 1
400 43 43 THR CG2 C 21.526 0.300 1
401 43 43 THR HG2 H 1.055 0.030 1
402 43 43 THR C C 173.061 0.300 1
403 44 44 ILE N N 123.638 0.300 1
404 44 44 ILE H H 8.859 0.030 1
405 44 44 ILE CA C 59.843 0.300 1
406 44 44 ILE HA H 4.824 0.030 1
407 44 44 ILE CB C 40.866 0.300 1
408 44 44 ILE HB H 1.531 0.030 1
409 44 44 ILE CG1 C 28.037 0.300 1
410 44 44 ILE HG13 H 0.986 0.030 2
411 44 44 ILE CG2 C 17.915 0.300 1
412 44 44 ILE HG2 H 0.819 0.030 1
413 44 44 ILE CD1 C 15.751 0.300 1
414 44 44 ILE HD1 H 0.899 0.030 1
415 44 44 ILE C C 174.707 0.300 1
416 44 44 ILE HG12 H 1.659 0.030 2
417 45 45 VAL N N 128.904 0.300 1
418 45 45 VAL H H 9.299 0.030 1
419 45 45 VAL CA C 62.119 0.300 1
420 45 45 VAL HA H 4.492 0.030 1
421 45 45 VAL CB C 32.683 0.300 1
422 45 45 VAL HB H 2.216 0.030 1
423 45 45 VAL CG1 C 21.411 0.300 1
424 45 45 VAL HG1 H 1.041 0.030 1
425 45 45 VAL CG2 C 21.411 0.300 1
426 45 45 VAL HG2 H 1.034 0.030 1
427 45 45 VAL C C 175.606 0.300 1
428 46 46 THR N N 117.412 0.300 1
429 46 46 THR H H 8.434 0.030 1
430 46 46 THR CA C 60.650 0.300 1
431 46 46 THR HA H 4.505 0.030 1
432 46 46 THR CB C 69.432 0.300 1
433 46 46 THR HB H 4.204 0.030 1
434 46 46 THR CG2 C 21.512 0.300 1
435 46 46 THR HG2 H 0.958 0.030 1
436 46 46 THR C C 174.882 0.300 1
437 47 47 GLU N N 122.657 0.300 1
438 47 47 GLU H H 8.052 0.030 1
439 47 47 GLU CA C 57.419 0.300 1
440 47 47 GLU HA H 4.231 0.030 1
441 47 47 GLU CB C 30.281 0.300 1
442 47 47 GLU HB3 H 2.035 0.030 1
443 47 47 GLU CG C 35.951 0.300 1
444 47 47 GLU HG3 H 2.223 0.030 1
445 47 47 GLU C C 175.887 0.300 1
446 47 47 GLU HB2 H 2.035 0.030 1
447 47 47 GLU HG2 H 2.223 0.030 1
448 48 48 ASP N N 120.269 0.300 1
449 48 48 ASP H H 8.536 0.030 1
450 48 48 ASP CA C 54.396 0.300 1
451 48 48 ASP HA H 4.638 0.030 1
452 48 48 ASP CB C 40.979 0.300 1
453 48 48 ASP HB3 H 2.599 0.030 2
454 48 48 ASP C C 175.709 0.300 1
455 48 48 ASP HB2 H 2.796 0.030 2
456 49 49 ALA N N 122.506 0.300 1
457 49 49 ALA H H 8.109 0.030 1
458 49 49 ALA CA C 52.774 0.300 1
459 49 49 ALA HA H 4.195 0.030 1
460 49 49 ALA CB C 19.343 0.300 1
461 49 49 ALA HB H 1.201 0.030 1
462 49 49 ALA C C 178.316 0.300 1
463 50 50 GLY N N 107.563 0.300 1
464 50 50 GLY H H 8.269 0.030 1
465 50 50 GLY CA C 45.288 0.300 1
466 50 50 GLY HA3 H 3.993 0.030 1
467 50 50 GLY C C 174.421 0.300 1
468 50 50 GLY HA2 H 3.993 0.030 1
469 51 51 GLU N N 121.358 0.300 1
470 51 51 GLU H H 8.519 0.030 1
471 51 51 GLU CA C 56.890 0.300 1
472 51 51 GLU HA H 4.309 0.030 1
473 51 51 GLU CB C 30.204 0.300 1
474 51 51 GLU HB3 H 2.062 0.030 2
475 51 51 GLU CG C 36.173 0.300 1
476 51 51 GLU HG3 H 2.259 0.030 1
477 51 51 GLU C C 177.003 0.300 1
478 51 51 GLU HB2 H 1.971 0.030 2
479 51 51 GLU HG2 H 2.259 0.030 1
480 52 52 GLY N N 109.575 0.300 1
481 52 52 GLY H H 8.349 0.030 1
482 52 52 GLY CA C 45.571 0.300 1
483 52 52 GLY HA3 H 3.895 0.030 2
484 52 52 GLY C C 173.666 0.300 1
485 52 52 GLY HA2 H 3.810 0.030 2
486 53 53 GLY N N 106.657 0.300 1
487 53 53 GLY H H 7.893 0.030 1
488 53 53 GLY CA C 45.199 0.300 1
489 53 53 GLY HA3 H 3.613 0.030 2
490 53 53 GLY C C 173.414 0.300 1
491 53 53 GLY HA2 H 4.036 0.030 2
492 54 54 LEU N N 124.121 0.300 1
493 54 54 LEU H H 8.241 0.030 1
494 54 54 LEU CA C 54.528 0.300 1
495 54 54 LEU HA H 5.056 0.030 1
496 54 54 LEU CB C 44.325 0.300 1
497 54 54 LEU HB3 H 1.616 0.030 1
498 54 54 LEU CG C 27.461 0.300 1
499 54 54 LEU HG H 1.613 0.030 1
500 54 54 LEU CD1 C 25.217 0.300 1
501 54 54 LEU HD1 H 0.916 0.030 1
502 54 54 LEU CD2 C 25.217 0.300 1
503 54 54 LEU HD2 H 0.916 0.030 1
504 54 54 LEU C C 176.080 0.300 1
505 54 54 LEU HB2 H 1.616 0.030 1
506 55 55 ASP N N 126.024 0.300 1
507 55 55 ASP H H 8.981 0.030 1
508 55 55 ASP CA C 54.095 0.300 1
509 55 55 ASP HA H 4.879 0.030 1
510 55 55 ASP CB C 44.582 0.300 1
511 55 55 ASP HB3 H 2.375 0.030 2
512 55 55 ASP C C 173.601 0.300 1
513 55 55 ASP HB2 H 2.538 0.030 2
514 56 56 LEU N N 125.098 0.300 1
515 56 56 LEU H H 8.300 0.030 1
516 56 56 LEU CA C 53.221 0.300 1
517 56 56 LEU HA H 5.422 0.030 1
518 56 56 LEU CB C 46.028 0.300 1
519 56 56 LEU HB3 H 1.591 0.030 2
520 56 56 LEU CG C 27.787 0.300 1
521 56 56 LEU HG H 1.590 0.030 1
522 56 56 LEU CD1 C 26.096 0.300 2
523 56 56 LEU HD1 H 0.914 0.030 1
524 56 56 LEU CD2 C 26.885 0.300 2
525 56 56 LEU HD2 H 0.941 0.030 1
526 56 56 LEU C C 175.700 0.300 1
527 56 56 LEU HB2 H 1.437 0.030 2
528 57 57 ALA N N 125.664 0.300 1
529 57 57 ALA H H 8.840 0.030 1
530 57 57 ALA CA C 51.851 0.300 1
531 57 57 ALA HA H 4.600 0.030 1
532 57 57 ALA CB C 22.862 0.300 1
533 57 57 ALA HB H 1.444 0.030 1
534 57 57 ALA C C 174.504 0.300 1
535 58 58 ILE N N 119.429 0.300 1
536 58 58 ILE H H 8.617 0.030 1
537 58 58 ILE CA C 60.143 0.300 1
538 58 58 ILE HA H 5.272 0.030 1
539 58 58 ILE CB C 41.068 0.300 1
540 58 58 ILE HB H 1.550 0.030 1
541 58 58 ILE CG1 C 28.011 0.300 1
542 58 58 ILE HG13 H 0.925 0.030 2
543 58 58 ILE CG2 C 16.841 0.300 1
544 58 58 ILE HG2 H 0.724 0.030 1
545 58 58 ILE CD1 C 13.696 0.300 1
546 58 58 ILE HD1 H 0.059 0.030 1
547 58 58 ILE C C 175.328 0.300 1
548 58 58 ILE HG12 H 1.392 0.030 2
549 59 59 GLU N N 128.665 0.300 1
550 59 59 GLU H H 9.315 0.030 1
551 59 59 GLU CA C 54.166 0.300 1
552 59 59 GLU HA H 4.920 0.030 1
553 59 59 GLU CB C 32.698 0.300 1
554 59 59 GLU HB3 H 1.845 0.030 2
555 59 59 GLU CG C 35.693 0.300 1
556 59 59 GLU HG3 H 2.182 0.030 1
557 59 59 GLU C C 175.108 0.300 1
558 59 59 GLU HB2 H 2.024 0.030 2
559 59 59 GLU HG2 H 2.182 0.030 1
560 60 60 GLY N N 110.929 0.300 1
561 60 60 GLY H H 8.427 0.030 1
562 60 60 GLY CA C 45.608 0.300 1
563 60 60 GLY HA3 H 3.927 0.030 2
564 60 60 GLY C C 171.379 0.300 1
565 60 60 GLY HA2 H 3.531 0.030 2
566 61 61 PRO CA C 64.103 0.300 1
567 61 61 PRO HA H 4.270 0.030 1
568 61 61 PRO CB C 32.206 0.300 1
569 61 61 PRO HB3 H 1.825 0.030 2
570 61 61 PRO CG C 26.870 0.300 1
571 61 61 PRO HG3 H 1.853 0.030 2
572 61 61 PRO CD C 49.086 0.300 1
573 61 61 PRO HD3 H 1.871 0.030 2
574 61 61 PRO C C 176.075 0.300 1
575 61 61 PRO HB2 H 2.281 0.030 2
576 61 61 PRO HD2 H 2.981 0.030 2
577 61 61 PRO HG2 H 1.700 0.030 2
578 62 62 SER N N 108.474 0.300 1
579 62 62 SER H H 7.099 0.030 1
580 62 62 SER CA C 56.398 0.300 1
581 62 62 SER HA H 4.655 0.030 1
582 62 62 SER CB C 67.457 0.300 1
583 62 62 SER HB3 H 3.715 0.030 2
584 62 62 SER C C 172.805 0.300 1
585 62 62 SER HB2 H 3.977 0.030 2
586 63 63 LYS N N 122.679 0.300 1
587 63 63 LYS H H 8.653 0.030 1
588 63 63 LYS CA C 55.822 0.300 1
589 63 63 LYS HA H 4.449 0.030 1
590 63 63 LYS CB C 31.384 0.300 1
591 63 63 LYS HB3 H 1.892 0.030 2
592 63 63 LYS CG C 24.758 0.300 1
593 63 63 LYS HG3 H 1.500 0.030 2
594 63 63 LYS CD C 29.192 0.300 1
595 63 63 LYS HD3 H 1.755 0.030 1
596 63 63 LYS CE C 42.280 0.300 1
597 63 63 LYS HE3 H 3.047 0.030 1
598 63 63 LYS C C 175.601 0.300 1
599 63 63 LYS HB2 H 1.792 0.030 2
600 63 63 LYS HD2 H 1.755 0.030 1
601 63 63 LYS HE2 H 3.047 0.030 1
602 63 63 LYS HG2 H 1.397 0.030 2
603 64 64 ALA N N 130.710 0.300 1
604 64 64 ALA H H 8.690 0.030 1
605 64 64 ALA CA C 51.425 0.300 1
606 64 64 ALA HA H 4.578 0.030 1
607 64 64 ALA CB C 19.803 0.300 1
608 64 64 ALA HB H 1.196 0.030 1
609 64 64 ALA C C 176.395 0.300 1
610 65 65 GLU N N 123.534 0.300 1
611 65 65 GLU H H 8.397 0.030 1
612 65 65 GLU CA C 56.854 0.300 1
613 65 65 GLU HA H 4.278 0.030 1
614 65 65 GLU CB C 30.346 0.300 1
615 65 65 GLU HB3 H 2.011 0.030 2
616 65 65 GLU CG C 36.221 0.300 1
617 65 65 GLU HG3 H 2.363 0.030 2
618 65 65 GLU C C 176.381 0.300 1
619 65 65 GLU HB2 H 1.964 0.030 2
620 65 65 GLU HG2 H 2.256 0.030 2
621 66 66 ILE N N 124.380 0.300 1
622 66 66 ILE H H 8.541 0.030 1
623 66 66 ILE CA C 60.568 0.300 1
624 66 66 ILE HA H 4.865 0.030 1
625 66 66 ILE CB C 41.804 0.300 1
626 66 66 ILE HB H 1.594 0.030 1
627 66 66 ILE CG1 C 28.341 0.300 1
628 66 66 ILE HG13 H 1.761 0.030 2
629 66 66 ILE CG2 C 17.240 0.300 1
630 66 66 ILE HG2 H 0.787 0.030 1
631 66 66 ILE CD1 C 14.500 0.300 1
632 66 66 ILE HD1 H 0.770 0.030 1
633 66 66 ILE C C 175.421 0.300 1
634 66 66 ILE HG12 H 0.753 0.030 2
635 67 67 SER N N 122.057 0.300 1
636 67 67 SER H H 9.035 0.030 1
637 67 67 SER CA C 56.908 0.300 1
638 67 67 SER HA H 4.729 0.030 1
639 67 67 SER CB C 64.980 0.300 1
640 67 67 SER HB3 H 3.714 0.030 1
641 67 67 SER C C 172.294 0.300 1
642 67 67 SER HB2 H 3.714 0.030 1
643 68 68 CYS N N 124.699 0.300 1
644 68 68 CYS H H 8.732 0.030 1
645 68 68 CYS CA C 57.310 0.300 1
646 68 68 CYS HA H 5.038 0.030 1
647 68 68 CYS CB C 28.380 0.300 1
648 68 68 CYS HB3 H 2.337 0.030 2
649 68 68 CYS C C 173.135 0.300 1
650 68 68 CYS HB2 H 2.820 0.030 2
651 69 69 ILE N N 128.680 0.300 1
652 69 69 ILE H H 8.757 0.030 1
653 69 69 ILE CA C 59.153 0.300 1
654 69 69 ILE HA H 4.350 0.030 1
655 69 69 ILE CB C 40.750 0.300 1
656 69 69 ILE HB H 1.762 0.030 1
657 69 69 ILE CG1 C 27.325 0.300 1
658 69 69 ILE HG13 H 1.405 0.030 2
659 69 69 ILE CG2 C 16.926 0.300 1
660 69 69 ILE HG2 H 0.802 0.030 1
661 69 69 ILE CD1 C 12.329 0.300 1
662 69 69 ILE HD1 H 0.793 0.030 1
663 69 69 ILE C C 174.363 0.300 1
664 69 69 ILE HG12 H 1.134 0.030 2
665 70 70 ASP N N 126.290 0.300 1
666 70 70 ASP H H 8.596 0.030 1
667 70 70 ASP CA C 53.671 0.300 1
668 70 70 ASP HA H 4.892 0.030 1
669 70 70 ASP CB C 41.069 0.300 1
670 70 70 ASP HB3 H 2.623 0.030 2
671 70 70 ASP C C 176.812 0.300 1
672 70 70 ASP HB2 H 2.868 0.030 2
673 71 71 ASN N N 125.163 0.300 1
674 71 71 ASN H H 8.745 0.030 1
675 71 71 ASN CA C 54.626 0.300 1
676 71 71 ASN HA H 4.647 0.030 1
677 71 71 ASN CB C 38.688 0.300 1
678 71 71 ASN HB3 H 2.698 0.030 2
679 71 71 ASN ND2 N 114.966 0.300 1
680 71 71 ASN HD21 H 7.321 0.030 2
681 71 71 ASN HD22 H 7.520 0.030 2
682 71 71 ASN C C 175.657 0.300 1
683 71 71 ASN HB2 H 3.009 0.030 2
684 72 72 LYS N N 114.425 0.300 1
685 72 72 LYS H H 9.407 0.030 1
686 72 72 LYS CA C 57.535 0.300 1
687 72 72 LYS HA H 4.028 0.030 1
688 72 72 LYS CB C 28.393 0.300 1
689 72 72 LYS HB3 H 2.008 0.030 2
690 72 72 LYS CG C 24.678 0.300 1
691 72 72 LYS HG3 H 1.264 0.030 2
692 72 72 LYS CD C 28.480 0.300 1
693 72 72 LYS HD3 H 1.691 0.030 2
694 72 72 LYS CE C 42.345 0.300 1
695 72 72 LYS HE3 H 2.992 0.030 2
696 72 72 LYS C C 175.123 0.300 1
697 72 72 LYS HB2 H 2.170 0.030 2
698 72 72 LYS HD2 H 1.603 0.030 2
699 72 72 LYS HE2 H 2.948 0.030 2
700 72 72 LYS HG2 H 1.368 0.030 2
701 73 73 ASP N N 117.581 0.300 1
702 73 73 ASP H H 7.881 0.030 1
703 73 73 ASP CA C 52.274 0.300 1
704 73 73 ASP HA H 4.769 0.030 1
705 73 73 ASP CB C 41.210 0.300 1
706 73 73 ASP HB3 H 2.403 0.030 2
707 73 73 ASP C C 177.197 0.300 1
708 73 73 ASP HB2 H 3.077 0.030 2
709 74 74 GLY N N 109.385 0.300 1
710 74 74 GLY H H 8.781 0.030 1
711 74 74 GLY CA C 45.179 0.300 1
712 74 74 GLY HA3 H 3.673 0.030 2
713 74 74 GLY C C 173.671 0.300 1
714 74 74 GLY HA2 H 4.469 0.030 2
715 75 75 THR N N 110.220 0.300 1
716 75 75 THR H H 8.179 0.030 1
717 75 75 THR CA C 59.843 0.300 1
718 75 75 THR HA H 5.678 0.030 1
719 75 75 THR CB C 73.810 0.300 1
720 75 75 THR HB H 4.072 0.030 1
721 75 75 THR CG2 C 21.995 0.300 1
722 75 75 THR HG2 H 1.168 0.030 1
723 75 75 THR C C 173.912 0.300 1
724 76 76 CYS N N 117.252 0.300 1
725 76 76 CYS H H 9.295 0.030 1
726 76 76 CYS CA C 56.716 0.300 1
727 76 76 CYS HA H 5.517 0.030 1
728 76 76 CYS CB C 31.176 0.300 1
729 76 76 CYS HB3 H 2.692 0.030 2
730 76 76 CYS C C 174.083 0.300 1
731 76 76 CYS HB2 H 2.592 0.030 2
732 77 77 THR N N 121.477 0.300 1
733 77 77 THR H H 9.137 0.030 1
734 77 77 THR CA C 62.565 0.300 1
735 77 77 THR HA H 4.592 0.030 1
736 77 77 THR CB C 70.447 0.300 1
737 77 77 THR HB H 3.889 0.030 1
738 77 77 THR CG2 C 22.459 0.300 1
739 77 77 THR HG2 H 1.069 0.030 1
740 77 77 THR C C 173.469 0.300 1
741 78 78 VAL N N 131.586 0.300 1
742 78 78 VAL H H 9.099 0.030 1
743 78 78 VAL CA C 60.604 0.300 1
744 78 78 VAL HA H 4.672 0.030 1
745 78 78 VAL CB C 32.061 0.300 1
746 78 78 VAL HB H 0.071 0.030 1
747 78 78 VAL CG1 C 22.876 0.300 2
748 78 78 VAL HG1 H 0.487 0.030 1
749 78 78 VAL CG2 C 22.232 0.300 2
750 78 78 VAL HG2 H 0.451 0.030 1
751 78 78 VAL C C 174.618 0.300 1
752 79 79 THR N N 120.071 0.300 1
753 79 79 THR H H 8.782 0.030 1
754 79 79 THR CA C 59.685 0.300 1
755 79 79 THR HA H 5.424 0.030 1
756 79 79 THR CB C 71.374 0.300 1
757 79 79 THR HB H 3.832 0.030 1
758 79 79 THR CG2 C 21.526 0.300 1
759 79 79 THR HG2 H 1.031 0.030 1
760 79 79 THR C C 173.250 0.300 1
761 80 80 TYR N N 120.212 0.300 1
762 80 80 TYR H H 9.132 0.030 1
763 80 80 TYR CA C 55.554 0.300 1
764 80 80 TYR HA H 5.686 0.030 1
765 80 80 TYR CB C 42.143 0.300 1
766 80 80 TYR HB3 H 2.652 0.030 2
767 80 80 TYR CD1 C 132.633 0.300 1
768 80 80 TYR HD1 H 6.387 0.030 1
769 80 80 TYR CD2 C 132.633 0.300 1
770 80 80 TYR HD2 H 6.387 0.030 1
771 80 80 TYR CE1 C 116.494 0.300 1
772 80 80 TYR HE1 H 6.016 0.030 1
773 80 80 TYR CE2 C 116.494 0.300 1
774 80 80 TYR HE2 H 6.016 0.030 1
775 80 80 TYR C C 172.856 0.300 1
776 80 80 TYR HB2 H 2.576 0.030 2
777 81 81 LEU N N 121.355 0.300 1
778 81 81 LEU H H 7.729 0.030 1
779 81 81 LEU CA C 50.912 0.300 1
780 81 81 LEU HA H 4.991 0.030 1
781 81 81 LEU CB C 43.636 0.300 1
782 81 81 LEU HB3 H 1.170 0.030 2
783 81 81 LEU CG C 27.922 0.300 1
784 81 81 LEU HG H 1.236 0.030 1
785 81 81 LEU CD1 C 23.049 0.300 2
786 81 81 LEU HD1 H 0.521 0.030 1
787 81 81 LEU CD2 C 25.110 0.300 2
788 81 81 LEU HD2 H 0.678 0.030 1
789 81 81 LEU C C 172.982 0.300 1
790 81 81 LEU HB2 H 1.895 0.030 2
791 82 82 PRO CA C 61.629 0.300 1
792 82 82 PRO HA H 4.587 0.030 1
793 82 82 PRO CB C 32.091 0.300 1
794 82 82 PRO HB3 H 1.179 0.030 2
795 82 82 PRO CG C 26.444 0.300 1
796 82 82 PRO HG3 H 2.141 0.030 2
797 82 82 PRO CD C 49.799 0.300 1
798 82 82 PRO HD3 H 4.247 0.030 2
799 82 82 PRO C C 177.683 0.300 1
800 82 82 PRO HB2 H 1.647 0.030 2
801 82 82 PRO HD2 H 3.323 0.030 2
802 82 82 PRO HG2 H 1.561 0.030 2
803 83 83 THR N N 112.637 0.300 1
804 83 83 THR H H 8.438 0.030 1
805 83 83 THR CA C 62.207 0.300 1
806 83 83 THR HA H 4.305 0.030 1
807 83 83 THR CB C 69.155 0.300 1
808 83 83 THR HB H 4.497 0.030 1
809 83 83 THR CG2 C 21.728 0.300 1
810 83 83 THR HG2 H 1.214 0.030 1
811 83 83 THR C C 173.582 0.300 1
812 84 84 LEU N N 118.186 0.300 1
813 84 84 LEU H H 6.839 0.030 1
814 84 84 LEU CA C 51.513 0.300 1
815 84 84 LEU HA H 4.976 0.030 1
816 84 84 LEU CB C 45.838 0.300 1
817 84 84 LEU HB3 H 1.322 0.030 2
818 84 84 LEU CG C 26.846 0.300 1
819 84 84 LEU HG H 1.676 0.030 1
820 84 84 LEU CD1 C 25.492 0.300 2
821 84 84 LEU HD1 H 0.894 0.030 1
822 84 84 LEU CD2 C 23.237 0.300 2
823 84 84 LEU HD2 H 1.051 0.030 1
824 84 84 LEU C C 175.119 0.300 1
825 84 84 LEU HB2 H 1.609 0.030 2
826 85 85 PRO CA C 62.660 0.300 1
827 85 85 PRO HA H 4.347 0.030 1
828 85 85 PRO CB C 32.801 0.300 1
829 85 85 PRO HB3 H 1.979 0.030 2
830 85 85 PRO CG C 26.967 0.300 1
831 85 85 PRO HG3 H 2.099 0.030 2
832 85 85 PRO CD C 50.706 0.300 1
833 85 85 PRO HD3 H 3.691 0.030 2
834 85 85 PRO C C 174.117 0.300 1
835 85 85 PRO HB2 H 2.154 0.030 2
836 85 85 PRO HD2 H 3.727 0.030 2
837 85 85 PRO HG2 H 1.986 0.030 2
838 86 86 GLY N N 106.704 0.300 1
839 86 86 GLY H H 9.065 0.030 1
840 86 86 GLY CA C 44.520 0.300 1
841 86 86 GLY HA3 H 3.838 0.030 2
842 86 86 GLY C C 171.468 0.300 1
843 86 86 GLY HA2 H 4.408 0.030 2
844 87 87 ASP N N 120.573 0.300 1
845 87 87 ASP H H 8.275 0.030 1
846 87 87 ASP CA C 53.500 0.300 1
847 87 87 ASP HA H 5.498 0.030 1
848 87 87 ASP CB C 40.877 0.300 1
849 87 87 ASP HB3 H 2.295 0.030 2
850 87 87 ASP C C 176.069 0.300 1
851 87 87 ASP HB2 H 2.476 0.030 2
852 88 88 TYR N N 124.115 0.300 1
853 88 88 TYR H H 9.510 0.030 1
854 88 88 TYR CA C 56.667 0.300 1
855 88 88 TYR HA H 4.983 0.030 1
856 88 88 TYR CB C 39.633 0.300 1
857 88 88 TYR HB3 H 2.441 0.030 2
858 88 88 TYR CD1 C 134.130 0.300 1
859 88 88 TYR HD1 H 7.152 0.030 1
860 88 88 TYR CD2 C 134.130 0.300 1
861 88 88 TYR HD2 H 7.152 0.030 1
862 88 88 TYR CE1 C 116.512 0.300 1
863 88 88 TYR HE1 H 6.880 0.030 1
864 88 88 TYR CE2 C 116.512 0.300 1
865 88 88 TYR HE2 H 6.880 0.030 1
866 88 88 TYR C C 174.533 0.300 1
867 88 88 TYR HB2 H 2.850 0.030 2
868 89 89 SER N N 118.331 0.300 1
869 89 89 SER H H 9.200 0.030 1
870 89 89 SER CA C 56.737 0.300 1
871 89 89 SER HA H 5.346 0.030 1
872 89 89 SER CB C 64.421 0.300 1
873 89 89 SER HB3 H 3.726 0.030 1
874 89 89 SER C C 173.462 0.300 1
875 89 89 SER HB2 H 3.726 0.030 1
876 90 90 ILE N N 127.805 0.300 1
877 90 90 ILE H H 9.536 0.030 1
878 90 90 ILE CA C 61.209 0.300 1
879 90 90 ILE HA H 4.505 0.030 1
880 90 90 ILE CB C 39.225 0.300 1
881 90 90 ILE HB H 1.808 0.030 1
882 90 90 ILE CG1 C 27.760 0.300 1
883 90 90 ILE HG13 H 0.615 0.030 2
884 90 90 ILE CG2 C 17.652 0.300 1
885 90 90 ILE HG2 H 0.530 0.030 1
886 90 90 ILE CD1 C 14.965 0.300 1
887 90 90 ILE HD1 H 0.575 0.030 1
888 90 90 ILE C C 174.259 0.300 1
889 90 90 ILE HG12 H 1.307 0.030 2
890 91 91 LEU N N 129.968 0.300 1
891 91 91 LEU H H 9.354 0.030 1
892 91 91 LEU CA C 55.510 0.300 1
893 91 91 LEU HA H 4.774 0.030 1
894 91 91 LEU CB C 42.674 0.300 1
895 91 91 LEU HB3 H 1.406 0.030 2
896 91 91 LEU CG C 29.737 0.300 1
897 91 91 LEU HG H 1.612 0.030 1
898 91 91 LEU CD1 C 25.228 0.300 2
899 91 91 LEU HD1 H 0.852 0.030 1
900 91 91 LEU CD2 C 26.896 0.300 2
901 91 91 LEU HD2 H 0.889 0.030 1
902 91 91 LEU C C 175.517 0.300 1
903 91 91 LEU HB2 H 1.869 0.030 2
904 92 92 VAL N N 124.859 0.300 1
905 92 92 VAL H H 9.431 0.030 1
906 92 92 VAL CA C 61.488 0.300 1
907 92 92 VAL HA H 4.626 0.030 1
908 92 92 VAL CB C 33.437 0.300 1
909 92 92 VAL HB H 2.198 0.030 1
910 92 92 VAL CG1 C 22.177 0.300 2
911 92 92 VAL HG1 H 0.893 0.030 1
912 92 92 VAL CG2 C 20.261 0.300 2
913 92 92 VAL HG2 H 0.958 0.030 1
914 92 92 VAL C C 173.589 0.300 1
915 93 93 LYS N N 123.909 0.300 1
916 93 93 LYS H H 8.660 0.030 1
917 93 93 LYS CA C 53.953 0.300 1
918 93 93 LYS HA H 5.017 0.030 1
919 93 93 LYS CB C 36.475 0.300 1
920 93 93 LYS HB3 H 1.116 0.030 2
921 93 93 LYS CG C 24.249 0.300 1
922 93 93 LYS HG3 H 0.184 0.030 2
923 93 93 LYS CD C 29.566 0.300 1
924 93 93 LYS HD3 H 1.169 0.030 2
925 93 93 LYS CE C 41.381 0.300 1
926 93 93 LYS HE3 H 2.243 0.030 2
927 93 93 LYS C C 174.746 0.300 1
928 93 93 LYS HB2 H 1.597 0.030 2
929 93 93 LYS HD2 H 1.055 0.030 2
930 93 93 LYS HE2 H 2.199 0.030 2
931 93 93 LYS HG2 H 0.898 0.030 2
932 94 94 TYR N N 120.499 0.300 1
933 94 94 TYR H H 8.821 0.030 1
934 94 94 TYR CA C 56.438 0.300 1
935 94 94 TYR HA H 5.161 0.030 1
936 94 94 TYR CB C 41.931 0.300 1
937 94 94 TYR HB3 H 2.518 0.030 2
938 94 94 TYR CD1 C 132.624 0.300 1
939 94 94 TYR HD1 H 6.873 0.030 1
940 94 94 TYR CD2 C 132.624 0.300 1
941 94 94 TYR HD2 H 6.873 0.030 1
942 94 94 TYR CE1 C 118.300 0.300 1
943 94 94 TYR HE1 H 6.716 0.030 1
944 94 94 TYR CE2 C 118.300 0.300 1
945 94 94 TYR HE2 H 6.716 0.030 1
946 94 94 TYR C C 176.635 0.300 1
947 94 94 TYR HB2 H 2.895 0.030 2
948 95 95 ASN N N 128.155 0.300 1
949 95 95 ASN H H 8.872 0.030 1
950 95 95 ASN CA C 54.360 0.300 1
951 95 95 ASN HA H 4.215 0.030 1
952 95 95 ASN CB C 36.735 0.300 1
953 95 95 ASN HB3 H 2.441 0.030 2
954 95 95 ASN ND2 N 111.427 0.300 1
955 95 95 ASN HD21 H 6.686 0.030 2
956 95 95 ASN HD22 H 7.310 0.030 2
957 95 95 ASN C C 174.592 0.300 1
958 95 95 ASN HB2 H 2.943 0.030 2
959 96 96 ASP N N 110.440 0.300 1
960 96 96 ASP H H 9.304 0.030 1
961 96 96 ASP CA C 55.920 0.300 1
962 96 96 ASP HA H 4.030 0.030 1
963 96 96 ASP CB C 40.704 0.300 1
964 96 96 ASP HB3 H 2.626 0.030 2
965 96 96 ASP C C 174.657 0.300 1
966 96 96 ASP HB2 H 2.924 0.030 2
967 97 97 LYS N N 118.806 0.300 1
968 97 97 LYS H H 7.482 0.030 1
969 97 97 LYS CA C 54.378 0.300 1
970 97 97 LYS HA H 4.715 0.030 1
971 97 97 LYS CB C 35.127 0.300 1
972 97 97 LYS HB3 H 1.888 0.030 2
973 97 97 LYS CG C 24.411 0.300 1
974 97 97 LYS HG3 H 1.495 0.030 1
975 97 97 LYS CD C 29.121 0.300 1
976 97 97 LYS HD3 H 1.738 0.030 1
977 97 97 LYS CE C 42.298 0.300 1
978 97 97 LYS HE3 H 3.066 0.030 1
979 97 97 LYS C C 176.499 0.300 1
980 97 97 LYS HB2 H 1.797 0.030 2
981 97 97 LYS HD2 H 1.738 0.030 1
982 97 97 LYS HE2 H 3.066 0.030 1
983 97 97 LYS HG2 H 1.495 0.030 1
984 98 98 HIS N N 124.063 0.300 1
985 98 98 HIS H H 8.795 0.030 1
986 98 98 HIS CA C 58.870 0.300 1
987 98 98 HIS HA H 4.496 0.030 1
988 98 98 HIS CB C 32.178 0.300 1
989 98 98 HIS HB3 H 2.882 0.030 2
990 98 98 HIS CD2 C 117.975 0.300 1
991 98 98 HIS HD2 H 7.187 0.030 1
992 98 98 HIS CE1 C 136.423 0.300 1
993 98 98 HIS HE1 H 7.287 0.030 1
994 98 98 HIS C C 177.720 0.300 1
995 98 98 HIS HB2 H 3.165 0.030 2
996 99 99 ILE N N 120.049 0.300 1
997 99 99 ILE H H 8.380 0.030 1
998 99 99 ILE CA C 60.674 0.300 1
999 99 99 ILE HA H 4.696 0.030 1
1000 99 99 ILE CB C 35.539 0.300 1
1001 99 99 ILE HB H 2.257 0.030 1
1002 99 99 ILE CG1 C 25.159 0.300 1
1003 99 99 ILE HG13 H 1.471 0.030 1
1004 99 99 ILE CG2 C 18.037 0.300 1
1005 99 99 ILE HG2 H 0.991 0.030 1
1006 99 99 ILE CD1 C 15.757 0.300 1
1007 99 99 ILE HD1 H 0.929 0.030 1
1008 99 99 ILE C C 173.419 0.300 1
1009 99 99 ILE HG12 H 1.471 0.030 1
1010 100 100 PRO CA C 65.343 0.300 1
1011 100 100 PRO HA H 4.255 0.030 1
1012 100 100 PRO CB C 31.128 0.300 1
1013 100 100 PRO HB3 H 1.999 0.030 2
1014 100 100 PRO CG C 28.476 0.300 1
1015 100 100 PRO HG3 H 2.016 0.030 2
1016 100 100 PRO CD C 50.792 0.300 1
1017 100 100 PRO HD3 H 4.010 0.030 2
1018 100 100 PRO C C 176.734 0.300 1
1019 100 100 PRO HB2 H 2.302 0.030 2
1020 100 100 PRO HD2 H 3.814 0.030 2
1021 100 100 PRO HG2 H 2.285 0.030 2
1022 101 101 GLY N N 113.906 0.300 1
1023 101 101 GLY H H 8.167 0.030 1
1024 101 101 GLY CA C 44.668 0.300 1
1025 101 101 GLY HA3 H 3.120 0.030 2
1026 101 101 GLY C C 171.985 0.300 1
1027 101 101 GLY HA2 H 4.140 0.030 2
1028 102 102 SER N N 112.418 0.300 1
1029 102 102 SER H H 7.641 0.030 1
1030 102 102 SER CA C 54.770 0.300 1
1031 102 102 SER HA H 4.107 0.030 1
1032 102 102 SER CB C 62.454 0.300 1
1033 102 102 SER HB3 H 4.409 0.030 2
1034 102 102 SER C C 174.682 0.300 1
1035 102 102 SER HB2 H 3.702 0.030 2
1036 103 103 PRO CA C 62.301 0.300 1
1037 103 103 PRO HA H 5.363 0.030 1
1038 103 103 PRO CB C 33.964 0.300 1
1039 103 103 PRO HB3 H 1.963 0.030 2
1040 103 103 PRO CG C 25.048 0.300 1
1041 103 103 PRO HG3 H 1.662 0.030 2
1042 103 103 PRO CD C 50.013 0.300 1
1043 103 103 PRO HD3 H 2.461 0.030 2
1044 103 103 PRO C C 176.438 0.300 1
1045 103 103 PRO HB2 H 1.893 0.030 2
1046 103 103 PRO HD2 H 3.233 0.030 2
1047 103 103 PRO HG2 H 1.867 0.030 2
1048 104 104 PHE N N 126.067 0.300 1
1049 104 104 PHE H H 9.449 0.030 1
1050 104 104 PHE CA C 57.102 0.300 1
1051 104 104 PHE HA H 4.621 0.030 1
1052 104 104 PHE CB C 40.656 0.300 1
1053 104 104 PHE HB3 H 2.827 0.030 2
1054 104 104 PHE CD1 C 133.027 0.300 1
1055 104 104 PHE HD1 H 7.243 0.030 1
1056 104 104 PHE CD2 C 133.027 0.300 1
1057 104 104 PHE HD2 H 7.243 0.030 1
1058 104 104 PHE CE1 C 130.222 0.300 1
1059 104 104 PHE HE1 H 7.097 0.030 1
1060 104 104 PHE CE2 C 130.222 0.300 1
1061 104 104 PHE HE2 H 7.097 0.030 1
1062 104 104 PHE C C 176.313 0.300 1
1063 104 104 PHE HB2 H 3.296 0.030 2
1064 105 105 THR N N 118.402 0.300 1
1065 105 105 THR H H 8.842 0.030 1
1066 105 105 THR CA C 62.018 0.300 1
1067 105 105 THR HA H 5.153 0.030 1
1068 105 105 THR CB C 70.095 0.300 1
1069 105 105 THR HB H 4.038 0.030 1
1070 105 105 THR CG2 C 20.999 0.300 1
1071 105 105 THR HG2 H 1.040 0.030 1
1072 105 105 THR C C 172.525 0.300 1
1073 106 106 ALA N N 131.132 0.300 1
1074 106 106 ALA H H 9.192 0.030 1
1075 106 106 ALA CA C 50.187 0.300 1
1076 106 106 ALA HA H 4.435 0.030 1
1077 106 106 ALA CB C 21.021 0.300 1
1078 106 106 ALA HB H 1.031 0.030 1
1079 106 106 ALA C C 176.136 0.300 1
1080 107 107 LYS N N 122.751 0.300 1
1081 107 107 LYS H H 7.746 0.030 1
1082 107 107 LYS CA C 55.652 0.300 1
1083 107 107 LYS HA H 4.797 0.030 1
1084 107 107 LYS CB C 32.606 0.300 1
1085 107 107 LYS HB3 H 1.934 0.030 1
1086 107 107 LYS CG C 24.500 0.300 1
1087 107 107 LYS HG3 H 1.527 0.030 2
1088 107 107 LYS CD C 28.945 0.300 1
1089 107 107 LYS HD3 H 1.775 0.030 1
1090 107 107 LYS CE C 41.969 0.300 1
1091 107 107 LYS HE3 H 3.042 0.030 1
1092 107 107 LYS C C 174.648 0.300 1
1093 107 107 LYS HB2 H 1.934 0.030 1
1094 107 107 LYS HD2 H 1.775 0.030 1
1095 107 107 LYS HE2 H 3.042 0.030 1
1096 107 107 LYS HG2 H 1.443 0.030 2
1097 108 108 ILE N N 127.629 0.300 1
1098 108 108 ILE H H 9.024 0.030 1
1099 108 108 ILE CA C 56.801 0.300 1
1100 108 108 ILE HA H 4.688 0.030 1
1101 108 108 ILE CB C 35.101 0.300 1
1102 108 108 ILE HB H 2.613 0.030 1
1103 108 108 ILE CG1 C 27.708 0.300 1
1104 108 108 ILE HG13 H 0.667 0.030 2
1105 108 108 ILE CG2 C 17.415 0.300 1
1106 108 108 ILE HG2 H 0.614 0.030 1
1107 108 108 ILE CD1 C 7.376 0.300 1
1108 108 108 ILE HD1 H 0.471 0.030 1
1109 108 108 ILE C C 178.159 0.300 1
1110 108 108 ILE HG12 H 1.609 0.030 2
1111 109 109 THR N N 121.563 0.300 1
1112 109 109 THR H H 8.861 0.030 1
1113 109 109 THR CA C 60.745 0.300 1
1114 109 109 THR HA H 4.778 0.030 1
1115 109 109 THR CB C 71.067 0.300 1
1116 109 109 THR HB H 4.483 0.030 1
1117 109 109 THR CG2 C 21.599 0.300 1
1118 109 109 THR HG2 H 1.353 0.030 1
1119 109 109 THR C C 173.421 0.300 1
1120 110 110 ASP N N 119.526 0.300 1
1121 110 110 ASP H H 8.631 0.030 1
1122 110 110 ASP CA C 53.971 0.300 1
1123 110 110 ASP HA H 4.729 0.030 1
1124 110 110 ASP CB C 42.087 0.300 1
1125 110 110 ASP HB3 H 2.736 0.030 2
1126 110 110 ASP C C 176.124 0.300 1
1127 110 110 ASP HB2 H 2.626 0.030 2
1128 111 111 ASP N N 122.287 0.300 1
1129 111 111 ASP H H 8.638 0.030 1
1130 111 111 ASP CA C 54.042 0.300 1
1131 111 111 ASP HA H 4.644 0.030 1
1132 111 111 ASP CB C 41.218 0.300 1
1133 111 111 ASP HB3 H 2.752 0.030 2
1134 111 111 ASP C C 176.668 0.300 1
1135 111 111 ASP HB2 H 2.711 0.030 2
1136 112 112 SER N N 117.157 0.300 1
1137 112 112 SER H H 8.416 0.030 1
1138 112 112 SER CA C 59.277 0.300 1
1139 112 112 SER HA H 4.348 0.030 1
1140 112 112 SER CB C 63.943 0.300 1
1141 112 112 SER HB3 H 3.897 0.030 1
1142 112 112 SER C C 174.721 0.300 1
1143 112 112 SER HB2 H 3.897 0.030 1
1144 113 113 ARG N N 122.178 0.300 1
1145 113 113 ARG H H 8.238 0.030 1
1146 113 113 ARG CA C 56.195 0.300 1
1147 113 113 ARG HA H 4.347 0.030 1
1148 113 113 ARG CB C 30.470 0.300 1
1149 113 113 ARG HB3 H 1.799 0.030 2
1150 113 113 ARG CG C 27.079 0.300 1
1151 113 113 ARG HG3 H 1.654 0.030 1
1152 113 113 ARG CD C 43.370 0.300 1
1153 113 113 ARG C C 176.207 0.300 1
1154 113 113 ARG HB2 H 1.903 0.030 2
1155 113 113 ARG HD2 H 3.201 0.030 2
1156 113 113 ARG HG2 H 1.654 0.030 1
1157 114 114 ARG N N 122.696 0.300 1
1158 114 114 ARG H H 8.338 0.030 1
1159 114 114 ARG CA C 56.164 0.300 1
1160 114 114 ARG HA H 4.390 0.030 1
1161 114 114 ARG CB C 30.679 0.300 1
1162 114 114 ARG HB3 H 1.783 0.030 2
1163 114 114 ARG CG C 26.967 0.300 1
1164 114 114 ARG HG3 H 1.614 0.030 2
1165 114 114 ARG CD C 43.316 0.300 1
1166 114 114 ARG HD3 H 3.202 0.030 1
1167 114 114 ARG C C 175.468 0.300 1
1168 114 114 ARG HB2 H 1.910 0.030 2
1169 114 114 ARG HD2 H 3.202 0.030 1
1170 114 114 ARG HG2 H 1.648 0.030 2
1171 115 115 CYS N N 124.428 0.300 1
1172 115 115 CYS H H 8.007 0.030 1
1173 115 115 CYS CA C 59.401 0.300 1
1174 115 115 CYS HA H 4.371 0.030 1
1175 115 115 CYS CB C 29.103 0.300 1
1176 115 115 CYS HB3 H 2.928 0.030 1
1177 115 115 CYS C C 178.641 0.300 1
1178 115 115 CYS HB2 H 2.928 0.030 1
stop_
save_