data_10143
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the 14th filamin domain from human Filamin-B
;
_BMRB_accession_number 10143
_BMRB_flat_file_name bmr10143.str
_Entry_type new
_Submission_date 2007-12-04
_Accession_date 2007-12-05
_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" 611
"13C chemical shifts" 477
"15N chemical shifts" 106
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-12-10 original author .
stop_
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the 14th 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 'Not known'
_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 119
_Mol_residue_sequence
;
GSSGSSGRSPFKVKVLPTYD
ASKVTASGPGLSSYGVPASL
PVDFAIDARDAGEGLLAVQI
TDQEGKPKRAIVHDNKDGTY
AVTYIPDKTGRYMIGVTYGG
DDIPLSPYRIRATQTGDAS
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 ARG 9 SER 10 PRO
11 PHE 12 LYS 13 VAL 14 LYS 15 VAL
16 LEU 17 PRO 18 THR 19 TYR 20 ASP
21 ALA 22 SER 23 LYS 24 VAL 25 THR
26 ALA 27 SER 28 GLY 29 PRO 30 GLY
31 LEU 32 SER 33 SER 34 TYR 35 GLY
36 VAL 37 PRO 38 ALA 39 SER 40 LEU
41 PRO 42 VAL 43 ASP 44 PHE 45 ALA
46 ILE 47 ASP 48 ALA 49 ARG 50 ASP
51 ALA 52 GLY 53 GLU 54 GLY 55 LEU
56 LEU 57 ALA 58 VAL 59 GLN 60 ILE
61 THR 62 ASP 63 GLN 64 GLU 65 GLY
66 LYS 67 PRO 68 LYS 69 ARG 70 ALA
71 ILE 72 VAL 73 HIS 74 ASP 75 ASN
76 LYS 77 ASP 78 GLY 79 THR 80 TYR
81 ALA 82 VAL 83 THR 84 TYR 85 ILE
86 PRO 87 ASP 88 LYS 89 THR 90 GLY
91 ARG 92 TYR 93 MET 94 ILE 95 GLY
96 VAL 97 THR 98 TYR 99 GLY 100 GLY
101 ASP 102 ASP 103 ILE 104 PRO 105 LEU
106 SER 107 PRO 108 TYR 109 ARG 110 ILE
111 ARG 112 ALA 113 THR 114 GLN 115 THR
116 GLY 117 ASP 118 ALA 119 SER
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 2E9J "Solution Structure Of The 14th Filamin Domain From Human Filamin-B" 100.00 119 100.00 100.00 1.08e-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
$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 P060619-05
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 1.19 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 0.9747
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 9 9 SER HA H 4.733 0.030 1
2 10 10 PRO CA C 63.335 0.300 1
3 10 10 PRO HA H 4.399 0.030 1
4 10 10 PRO CB C 31.938 0.300 1
5 10 10 PRO HB3 H 1.718 0.030 2
6 10 10 PRO CG C 27.071 0.300 1
7 10 10 PRO HG3 H 1.768 0.030 1
8 10 10 PRO CD C 50.767 0.300 1
9 10 10 PRO HD3 H 3.764 0.030 2
10 10 10 PRO C C 176.442 0.300 1
11 10 10 PRO HB2 H 2.184 0.030 2
12 10 10 PRO HD2 H 3.652 0.030 2
13 10 10 PRO HG2 H 1.768 0.030 1
14 11 11 PHE N N 119.801 0.300 1
15 11 11 PHE H H 8.036 0.030 1
16 11 11 PHE CA C 57.505 0.300 1
17 11 11 PHE HA H 4.606 0.030 1
18 11 11 PHE CB C 39.592 0.300 1
19 11 11 PHE HB3 H 2.986 0.030 2
20 11 11 PHE CD1 C 131.689 0.300 1
21 11 11 PHE HD1 H 7.240 0.030 1
22 11 11 PHE CD2 C 131.689 0.300 1
23 11 11 PHE HD2 H 7.240 0.030 1
24 11 11 PHE CE1 C 131.556 0.300 1
25 11 11 PHE HE1 H 7.364 0.030 1
26 11 11 PHE CE2 C 131.556 0.300 1
27 11 11 PHE HE2 H 7.364 0.030 1
28 11 11 PHE CZ C 129.933 0.300 1
29 11 11 PHE HZ H 7.309 0.030 1
30 11 11 PHE C C 175.401 0.300 1
31 11 11 PHE HB2 H 3.128 0.030 2
32 12 12 LYS N N 123.563 0.300 1
33 12 12 LYS H H 8.112 0.030 1
34 12 12 LYS CA C 56.175 0.300 1
35 12 12 LYS HA H 4.322 0.030 1
36 12 12 LYS CB C 33.352 0.300 1
37 12 12 LYS HB3 H 1.766 0.030 2
38 12 12 LYS CG C 24.785 0.300 1
39 12 12 LYS HG3 H 1.349 0.030 1
40 12 12 LYS CD C 29.189 0.300 1
41 12 12 LYS HD3 H 1.681 0.030 1
42 12 12 LYS CE C 42.092 0.300 1
43 12 12 LYS HE3 H 2.997 0.030 1
44 12 12 LYS C C 175.802 0.300 1
45 12 12 LYS HB2 H 1.682 0.030 2
46 12 12 LYS HD2 H 1.681 0.030 1
47 12 12 LYS HE2 H 2.997 0.030 1
48 12 12 LYS HG2 H 1.349 0.030 1
49 13 13 VAL N N 122.071 0.300 1
50 13 13 VAL H H 8.080 0.030 1
51 13 13 VAL CA C 62.280 0.300 1
52 13 13 VAL HA H 4.036 0.030 1
53 13 13 VAL CB C 32.895 0.300 1
54 13 13 VAL HB H 2.031 0.030 1
55 13 13 VAL CG1 C 20.749 0.300 1
56 13 13 VAL HG1 H 0.956 0.030 1
57 13 13 VAL CG2 C 20.749 0.300 1
58 13 13 VAL HG2 H 0.956 0.030 1
59 13 13 VAL C C 175.814 0.300 1
60 14 14 LYS N N 125.874 0.300 1
61 14 14 LYS H H 8.392 0.030 1
62 14 14 LYS CA C 56.250 0.300 1
63 14 14 LYS HA H 4.322 0.030 1
64 14 14 LYS CB C 33.193 0.300 1
65 14 14 LYS HB3 H 1.790 0.030 2
66 14 14 LYS CG C 25.068 0.300 1
67 14 14 LYS CD C 29.189 0.300 1
68 14 14 LYS CE C 42.048 0.300 1
69 14 14 LYS C C 175.973 0.300 1
70 14 14 LYS HB2 H 1.731 0.030 2
71 15 15 VAL N N 123.129 0.300 1
72 15 15 VAL H H 8.204 0.030 1
73 15 15 VAL CA C 62.033 0.300 1
74 15 15 VAL HA H 4.100 0.030 1
75 15 15 VAL CB C 32.858 0.300 1
76 15 15 VAL HB H 2.012 0.030 1
77 15 15 VAL CG1 C 20.656 0.300 2
78 15 15 VAL HG1 H 0.917 0.030 1
79 15 15 VAL CG2 C 21.218 0.300 2
80 15 15 VAL HG2 H 0.916 0.030 1
81 15 15 VAL C C 175.717 0.300 1
82 16 16 LEU N N 127.971 0.300 1
83 16 16 LEU H H 8.378 0.030 1
84 16 16 LEU CA C 52.885 0.300 1
85 16 16 LEU HA H 4.624 0.030 1
86 16 16 LEU CB C 41.706 0.300 1
87 16 16 LEU HB3 H 1.571 0.030 2
88 16 16 LEU CG C 27.123 0.300 1
89 16 16 LEU HG H 1.673 0.030 1
90 16 16 LEU CD1 C 25.159 0.300 2
91 16 16 LEU HD1 H 0.939 0.030 1
92 16 16 LEU CD2 C 23.370 0.300 2
93 16 16 LEU HD2 H 0.904 0.030 1
94 16 16 LEU C C 175.092 0.300 1
95 16 16 LEU HB2 H 1.603 0.030 2
96 17 17 PRO CA C 62.704 0.300 1
97 17 17 PRO HA H 4.556 0.030 1
98 17 17 PRO CB C 32.293 0.300 1
99 17 17 PRO HB3 H 1.823 0.030 2
100 17 17 PRO CG C 27.458 0.300 1
101 17 17 PRO HG3 H 2.001 0.030 1
102 17 17 PRO CD C 50.575 0.300 1
103 17 17 PRO HD3 H 3.841 0.030 2
104 17 17 PRO C C 177.319 0.300 1
105 17 17 PRO HB2 H 2.181 0.030 2
106 17 17 PRO HD2 H 3.648 0.030 2
107 17 17 PRO HG2 H 2.001 0.030 1
108 18 18 THR N N 112.726 0.300 1
109 18 18 THR H H 8.497 0.030 1
110 18 18 THR CA C 62.335 0.300 1
111 18 18 THR HA H 4.352 0.030 1
112 18 18 THR CB C 69.700 0.300 1
113 18 18 THR HB H 4.505 0.030 1
114 18 18 THR CG2 C 21.691 0.300 1
115 18 18 THR HG2 H 1.297 0.030 1
116 18 18 THR C C 173.418 0.300 1
117 19 19 TYR N N 118.883 0.300 1
118 19 19 TYR H H 7.244 0.030 1
119 19 19 TYR CA C 55.270 0.300 1
120 19 19 TYR HA H 5.404 0.030 1
121 19 19 TYR CB C 40.974 0.300 1
122 19 19 TYR HB3 H 2.985 0.030 2
123 19 19 TYR CD1 C 133.048 0.300 1
124 19 19 TYR HD1 H 7.004 0.030 1
125 19 19 TYR CD2 C 133.048 0.300 1
126 19 19 TYR HD2 H 7.004 0.030 1
127 19 19 TYR CE1 C 119.001 0.300 1
128 19 19 TYR HE1 H 6.997 0.030 1
129 19 19 TYR CE2 C 119.001 0.300 1
130 19 19 TYR HE2 H 6.997 0.030 1
131 19 19 TYR C C 174.318 0.300 1
132 19 19 TYR HB2 H 2.804 0.030 2
133 20 20 ASP N N 118.193 0.300 1
134 20 20 ASP H H 8.686 0.030 1
135 20 20 ASP CA C 53.226 0.300 1
136 20 20 ASP HA H 4.539 0.030 1
137 20 20 ASP CB C 41.490 0.300 1
138 20 20 ASP HB3 H 2.442 0.030 2
139 20 20 ASP C C 176.349 0.300 1
140 20 20 ASP HB2 H 2.760 0.030 2
141 21 21 ALA N N 127.255 0.300 1
142 21 21 ALA H H 9.404 0.030 1
143 21 21 ALA CA C 55.157 0.300 1
144 21 21 ALA HA H 4.204 0.030 1
145 21 21 ALA CB C 19.890 0.300 1
146 21 21 ALA HB H 1.828 0.030 1
147 21 21 ALA C C 178.113 0.300 1
148 22 22 SER N N 110.959 0.300 1
149 22 22 SER H H 8.397 0.030 1
150 22 22 SER CA C 60.794 0.300 1
151 22 22 SER HA H 4.363 0.030 1
152 22 22 SER CB C 62.850 0.300 1
153 22 22 SER HB3 H 4.053 0.030 2
154 22 22 SER C C 175.425 0.300 1
155 22 22 SER HB2 H 3.982 0.030 2
156 23 23 LYS N N 119.671 0.300 1
157 23 23 LYS H H 7.366 0.030 1
158 23 23 LYS CA C 54.818 0.300 1
159 23 23 LYS HA H 4.368 0.030 1
160 23 23 LYS CB C 33.063 0.300 1
161 23 23 LYS HB3 H 1.873 0.030 2
162 23 23 LYS CG C 24.985 0.300 1
163 23 23 LYS HG3 H 1.444 0.030 2
164 23 23 LYS CD C 28.391 0.300 1
165 23 23 LYS HD3 H 1.625 0.030 2
166 23 23 LYS CE C 42.295 0.300 1
167 23 23 LYS HE3 H 2.964 0.030 1
168 23 23 LYS C C 176.544 0.300 1
169 23 23 LYS HB2 H 1.546 0.030 2
170 23 23 LYS HD2 H 1.576 0.030 2
171 23 23 LYS HE2 H 2.964 0.030 1
172 23 23 LYS HG2 H 1.229 0.030 2
173 24 24 VAL N N 123.377 0.300 1
174 24 24 VAL H H 7.392 0.030 1
175 24 24 VAL CA C 62.722 0.300 1
176 24 24 VAL HA H 4.184 0.030 1
177 24 24 VAL CB C 31.780 0.300 1
178 24 24 VAL HB H 2.048 0.030 1
179 24 24 VAL CG1 C 23.337 0.300 2
180 24 24 VAL HG1 H 0.713 0.030 1
181 24 24 VAL CG2 C 23.450 0.300 2
182 24 24 VAL HG2 H 0.449 0.030 1
183 24 24 VAL C C 175.644 0.300 1
184 25 25 THR N N 117.441 0.300 1
185 25 25 THR H H 8.384 0.030 1
186 25 25 THR CA C 59.858 0.300 1
187 25 25 THR HA H 4.784 0.030 1
188 25 25 THR CB C 71.687 0.300 1
189 25 25 THR HB H 4.283 0.030 1
190 25 25 THR CG2 C 21.520 0.300 1
191 25 25 THR HG2 H 1.202 0.030 1
192 25 25 THR C C 172.360 0.300 1
193 26 26 ALA N N 123.956 0.300 1
194 26 26 ALA H H 8.440 0.030 1
195 26 26 ALA CA C 51.022 0.300 1
196 26 26 ALA HA H 5.575 0.030 1
197 26 26 ALA CB C 22.576 0.300 1
198 26 26 ALA HB H 1.268 0.030 1
199 26 26 ALA C C 176.301 0.300 1
200 27 27 SER N N 114.430 0.300 1
201 27 27 SER H H 9.021 0.030 1
202 27 27 SER CA C 57.771 0.300 1
203 27 27 SER HA H 4.745 0.030 1
204 27 27 SER CB C 65.911 0.300 1
205 27 27 SER HB3 H 3.921 0.030 1
206 27 27 SER C C 172.798 0.300 1
207 27 27 SER HB2 H 3.921 0.030 1
208 28 28 GLY N N 108.618 0.300 1
209 28 28 GLY H H 8.516 0.030 1
210 28 28 GLY CA C 44.966 0.300 1
211 28 28 GLY HA3 H 4.102 0.030 2
212 28 28 GLY C C 173.392 0.300 1
213 28 28 GLY HA2 H 5.026 0.030 2
214 29 29 PRO CA C 65.446 0.300 1
215 29 29 PRO HA H 4.399 0.030 1
216 29 29 PRO CB C 31.739 0.300 1
217 29 29 PRO HB3 H 2.092 0.030 2
218 29 29 PRO CG C 27.833 0.300 1
219 29 29 PRO HG3 H 2.450 0.030 2
220 29 29 PRO CD C 50.265 0.300 1
221 29 29 PRO HD3 H 3.951 0.030 2
222 29 29 PRO C C 179.804 0.300 1
223 29 29 PRO HB2 H 2.458 0.030 2
224 29 29 PRO HD2 H 3.691 0.030 2
225 29 29 PRO HG2 H 2.150 0.030 2
226 30 30 GLY N N 103.199 0.300 1
227 30 30 GLY H H 9.156 0.030 1
228 30 30 GLY CA C 46.458 0.300 1
229 30 30 GLY HA3 H 3.331 0.030 2
230 30 30 GLY C C 171.694 0.300 1
231 30 30 GLY HA2 H 4.062 0.030 2
232 31 31 LEU N N 116.112 0.300 1
233 31 31 LEU H H 7.351 0.030 1
234 31 31 LEU CA C 52.607 0.300 1
235 31 31 LEU HA H 4.269 0.030 1
236 31 31 LEU CB C 41.265 0.300 1
237 31 31 LEU HB3 H 1.181 0.030 2
238 31 31 LEU CG C 25.581 0.300 1
239 31 31 LEU HG H 0.181 0.030 1
240 31 31 LEU CD1 C 25.260 0.300 2
241 31 31 LEU HD1 H -0.214 0.030 1
242 31 31 LEU CD2 C 19.874 0.300 2
243 31 31 LEU HD2 H -0.860 0.030 1
244 31 31 LEU C C 176.751 0.300 1
245 31 31 LEU HB2 H 1.089 0.030 2
246 32 32 SER N N 114.056 0.300 1
247 32 32 SER H H 6.986 0.030 1
248 32 32 SER CA C 58.750 0.300 1
249 32 32 SER HA H 4.268 0.030 1
250 32 32 SER CB C 64.571 0.300 1
251 32 32 SER HB3 H 3.822 0.030 2
252 32 32 SER C C 176.483 0.300 1
253 32 32 SER HB2 H 4.163 0.030 2
254 33 33 SER N N 123.249 0.300 1
255 33 33 SER H H 8.887 0.030 1
256 33 33 SER CA C 60.176 0.300 1
257 33 33 SER HA H 4.409 0.030 1
258 33 33 SER CB C 63.098 0.300 1
259 33 33 SER HB3 H 3.895 0.030 2
260 33 33 SER C C 174.922 0.300 1
261 33 33 SER HB2 H 3.829 0.030 2
262 34 34 TYR N N 120.641 0.300 1
263 34 34 TYR H H 8.225 0.030 1
264 34 34 TYR CA C 58.266 0.300 1
265 34 34 TYR HA H 4.622 0.030 1
266 34 34 TYR CB C 38.478 0.300 1
267 34 34 TYR HB3 H 2.850 0.030 2
268 34 34 TYR CD1 C 133.097 0.300 1
269 34 34 TYR HD1 H 7.169 0.030 1
270 34 34 TYR CD2 C 133.097 0.300 1
271 34 34 TYR HD2 H 7.169 0.030 1
272 34 34 TYR CE1 C 118.308 0.300 1
273 34 34 TYR HE1 H 6.869 0.030 1
274 34 34 TYR CE2 C 118.308 0.300 1
275 34 34 TYR HE2 H 6.869 0.030 1
276 34 34 TYR C C 175.881 0.300 1
277 34 34 TYR HB2 H 3.316 0.030 2
278 35 35 GLY N N 109.142 0.300 1
279 35 35 GLY H H 7.416 0.030 1
280 35 35 GLY CA C 44.524 0.300 1
281 35 35 GLY HA3 H 4.411 0.030 2
282 35 35 GLY C C 172.956 0.300 1
283 35 35 GLY HA2 H 4.324 0.030 2
284 36 36 VAL N N 116.841 0.300 1
285 36 36 VAL H H 8.617 0.030 1
286 36 36 VAL CA C 57.700 0.300 1
287 36 36 VAL HA H 4.880 0.030 1
288 36 36 VAL CB C 33.474 0.300 1
289 36 36 VAL HB H 2.060 0.030 1
290 36 36 VAL CG1 C 22.601 0.300 2
291 36 36 VAL HG1 H 0.984 0.030 1
292 36 36 VAL CG2 C 19.600 0.300 2
293 36 36 VAL HG2 H 0.833 0.030 1
294 36 36 VAL C C 173.489 0.300 1
295 37 37 PRO CA C 62.200 0.300 1
296 37 37 PRO HA H 4.646 0.030 1
297 37 37 PRO CB C 31.876 0.300 1
298 37 37 PRO HB3 H 2.197 0.030 2
299 37 37 PRO CG C 27.866 0.300 1
300 37 37 PRO HG3 H 2.149 0.030 2
301 37 37 PRO CD C 50.435 0.300 1
302 37 37 PRO HD3 H 3.557 0.030 2
303 37 37 PRO C C 177.148 0.300 1
304 37 37 PRO HB2 H 1.858 0.030 2
305 37 37 PRO HD2 H 3.820 0.030 2
306 37 37 PRO HG2 H 1.946 0.030 2
307 38 38 ALA N N 124.330 0.300 1
308 38 38 ALA H H 8.591 0.030 1
309 38 38 ALA CA C 52.606 0.300 1
310 38 38 ALA HA H 4.189 0.030 1
311 38 38 ALA CB C 18.928 0.300 1
312 38 38 ALA HB H 1.163 0.030 1
313 38 38 ALA C C 178.418 0.300 1
314 39 39 SER N N 109.435 0.300 1
315 39 39 SER H H 8.687 0.030 1
316 39 39 SER CA C 61.147 0.300 1
317 39 39 SER HA H 3.770 0.030 1
318 39 39 SER CB C 62.322 0.300 1
319 39 39 SER HB3 H 4.007 0.030 2
320 39 39 SER C C 172.372 0.300 1
321 39 39 SER HB2 H 4.138 0.030 2
322 40 40 LEU N N 121.668 0.300 1
323 40 40 LEU H H 6.981 0.030 1
324 40 40 LEU CA C 51.707 0.300 1
325 40 40 LEU HA H 4.890 0.030 1
326 40 40 LEU CB C 43.441 0.300 1
327 40 40 LEU HB3 H 1.506 0.030 2
328 40 40 LEU CG C 26.886 0.300 1
329 40 40 LEU HG H 1.551 0.030 1
330 40 40 LEU CD1 C 25.387 0.300 2
331 40 40 LEU HD1 H 0.880 0.030 1
332 40 40 LEU CD2 C 23.298 0.300 2
333 40 40 LEU HD2 H 0.908 0.030 1
334 40 40 LEU C C 173.635 0.300 1
335 40 40 LEU HB2 H 1.433 0.030 2
336 41 41 PRO CA C 62.683 0.300 1
337 41 41 PRO HA H 4.490 0.030 1
338 41 41 PRO CB C 31.415 0.300 1
339 41 41 PRO HB3 H 1.898 0.030 2
340 41 41 PRO CG C 27.535 0.300 1
341 41 41 PRO HG3 H 1.874 0.030 2
342 41 41 PRO CD C 50.081 0.300 1
343 41 41 PRO HD3 H 3.740 0.030 2
344 41 41 PRO C C 175.540 0.300 1
345 41 41 PRO HB2 H 1.795 0.030 2
346 41 41 PRO HD2 H 3.598 0.030 2
347 41 41 PRO HG2 H 2.059 0.030 2
348 42 42 VAL N N 124.505 0.300 1
349 42 42 VAL H H 8.917 0.030 1
350 42 42 VAL CA C 60.282 0.300 1
351 42 42 VAL HA H 4.408 0.030 1
352 42 42 VAL CB C 34.522 0.300 1
353 42 42 VAL HB H 1.944 0.030 1
354 42 42 VAL CG1 C 18.900 0.300 2
355 42 42 VAL HG1 H 0.281 0.030 1
356 42 42 VAL CG2 C 21.771 0.300 2
357 42 42 VAL HG2 H 0.864 0.030 1
358 42 42 VAL C C 171.180 0.300 1
359 43 43 ASP N N 121.538 0.300 1
360 43 43 ASP H H 7.549 0.030 1
361 43 43 ASP CA C 51.968 0.300 1
362 43 43 ASP HA H 6.324 0.030 1
363 43 43 ASP CB C 44.949 0.300 1
364 43 43 ASP HB3 H 2.614 0.030 2
365 43 43 ASP C C 177.711 0.300 1
366 43 43 ASP HB2 H 2.535 0.030 2
367 44 44 PHE N N 112.517 0.300 1
368 44 44 PHE H H 9.044 0.030 1
369 44 44 PHE CA C 57.658 0.300 1
370 44 44 PHE HA H 5.069 0.030 1
371 44 44 PHE CB C 41.220 0.300 1
372 44 44 PHE HB3 H 2.624 0.030 2
373 44 44 PHE CD1 C 132.687 0.300 1
374 44 44 PHE HD1 H 6.858 0.030 1
375 44 44 PHE CD2 C 132.687 0.300 1
376 44 44 PHE HD2 H 6.858 0.030 1
377 44 44 PHE CE1 C 130.106 0.300 1
378 44 44 PHE HE1 H 6.873 0.030 1
379 44 44 PHE CE2 C 130.106 0.300 1
380 44 44 PHE HE2 H 6.873 0.030 1
381 44 44 PHE CZ C 128.661 0.300 1
382 44 44 PHE HZ H 6.711 0.030 1
383 44 44 PHE C C 171.679 0.300 1
384 44 44 PHE HB2 H 3.112 0.030 2
385 45 45 ALA N N 123.935 0.300 1
386 45 45 ALA H H 9.468 0.030 1
387 45 45 ALA CA C 50.855 0.300 1
388 45 45 ALA HA H 5.379 0.030 1
389 45 45 ALA CB C 22.496 0.300 1
390 45 45 ALA HB H 1.519 0.030 1
391 45 45 ALA C C 176.715 0.300 1
392 46 46 ILE N N 119.530 0.300 1
393 46 46 ILE H H 8.686 0.030 1
394 46 46 ILE CA C 59.561 0.300 1
395 46 46 ILE HA H 4.863 0.030 1
396 46 46 ILE CB C 41.370 0.300 1
397 46 46 ILE HB H 1.750 0.030 1
398 46 46 ILE CG1 C 27.340 0.300 1
399 46 46 ILE HG13 H 1.161 0.030 2
400 46 46 ILE CG2 C 18.066 0.300 1
401 46 46 ILE HG2 H 0.811 0.030 1
402 46 46 ILE CD1 C 15.390 0.300 1
403 46 46 ILE HD1 H 0.850 0.030 1
404 46 46 ILE C C 174.379 0.300 1
405 46 46 ILE HG12 H 1.541 0.030 2
406 47 47 ASP N N 127.143 0.300 1
407 47 47 ASP H H 9.281 0.030 1
408 47 47 ASP CA C 53.297 0.300 1
409 47 47 ASP HA H 4.976 0.030 1
410 47 47 ASP CB C 41.371 0.300 1
411 47 47 ASP HB3 H 2.461 0.030 2
412 47 47 ASP C C 174.962 0.300 1
413 47 47 ASP HB2 H 3.350 0.030 2
414 48 48 ALA N N 129.371 0.300 1
415 48 48 ALA H H 9.078 0.030 1
416 48 48 ALA CA C 50.554 0.300 1
417 48 48 ALA HA H 4.641 0.030 1
418 48 48 ALA CB C 19.699 0.300 1
419 48 48 ALA HB H 1.220 0.030 1
420 48 48 ALA C C 179.317 0.300 1
421 49 49 ARG N N 122.060 0.300 1
422 49 49 ARG H H 8.590 0.030 1
423 49 49 ARG CA C 60.964 0.300 1
424 49 49 ARG HA H 3.987 0.030 1
425 49 49 ARG CB C 30.654 0.300 1
426 49 49 ARG HB3 H 2.037 0.030 2
427 49 49 ARG CG C 28.033 0.300 1
428 49 49 ARG HG3 H 2.226 0.030 2
429 49 49 ARG CD C 43.873 0.300 1
430 49 49 ARG HD3 H 3.258 0.030 2
431 49 49 ARG NE N 84.672 0.300 1
432 49 49 ARG HE H 7.814 0.030 1
433 49 49 ARG C C 178.077 0.300 1
434 49 49 ARG HB2 H 1.866 0.030 2
435 49 49 ARG HD2 H 3.173 0.030 2
436 49 49 ARG HG2 H 1.788 0.030 2
437 50 50 ASP N N 116.664 0.300 1
438 50 50 ASP H H 8.794 0.030 1
439 50 50 ASP CA C 53.827 0.300 1
440 50 50 ASP HA H 5.040 0.030 1
441 50 50 ASP CB C 41.595 0.300 1
442 50 50 ASP HB3 H 2.404 0.030 2
443 50 50 ASP C C 175.754 0.300 1
444 50 50 ASP HB2 H 2.884 0.030 2
445 51 51 ALA N N 121.173 0.300 1
446 51 51 ALA H H 7.406 0.030 1
447 51 51 ALA CA C 52.147 0.300 1
448 51 51 ALA HA H 4.414 0.030 1
449 51 51 ALA CB C 23.427 0.300 1
450 51 51 ALA HB H 1.116 0.030 1
451 51 51 ALA C C 176.763 0.300 1
452 52 52 GLY N N 108.187 0.300 1
453 52 52 GLY H H 8.521 0.030 1
454 52 52 GLY CA C 45.210 0.300 1
455 52 52 GLY HA3 H 3.859 0.030 2
456 52 52 GLY C C 175.060 0.300 1
457 52 52 GLY HA2 H 4.492 0.030 2
458 53 53 GLU N N 124.810 0.300 1
459 53 53 GLU H H 8.643 0.030 1
460 53 53 GLU CA C 56.352 0.300 1
461 53 53 GLU HA H 4.663 0.030 1
462 53 53 GLU CB C 31.164 0.300 1
463 53 53 GLU HB3 H 1.964 0.030 1
464 53 53 GLU CG C 36.021 0.300 1
465 53 53 GLU HG3 H 2.143 0.030 2
466 53 53 GLU C C 173.491 0.300 1
467 53 53 GLU HB2 H 1.964 0.030 1
468 53 53 GLU HG2 H 2.232 0.030 2
469 54 54 GLY N N 111.417 0.300 1
470 54 54 GLY H H 7.465 0.030 1
471 54 54 GLY CA C 43.622 0.300 1
472 54 54 GLY HA3 H 2.287 0.030 2
473 54 54 GLY C C 170.013 0.300 1
474 54 54 GLY HA2 H 3.819 0.030 2
475 55 55 LEU N N 117.446 0.300 1
476 55 55 LEU H H 7.461 0.030 1
477 55 55 LEU CA C 54.041 0.300 1
478 55 55 LEU HA H 4.293 0.030 1
479 55 55 LEU CB C 42.832 0.300 1
480 55 55 LEU HB3 H 1.280 0.030 1
481 55 55 LEU CG C 26.797 0.300 1
482 55 55 LEU HG H 1.298 0.030 1
483 55 55 LEU CD1 C 24.171 0.300 2
484 55 55 LEU HD1 H 0.835 0.030 1
485 55 55 LEU CD2 C 24.421 0.300 2
486 55 55 LEU HD2 H 0.761 0.030 1
487 55 55 LEU C C 176.872 0.300 1
488 55 55 LEU HB2 H 1.280 0.030 1
489 56 56 LEU N N 131.840 0.300 1
490 56 56 LEU H H 8.791 0.030 1
491 56 56 LEU CA C 53.807 0.300 1
492 56 56 LEU HA H 5.053 0.030 1
493 56 56 LEU CB C 43.113 0.300 1
494 56 56 LEU HB3 H 1.001 0.030 2
495 56 56 LEU CG C 26.943 0.300 1
496 56 56 LEU HG H 1.018 0.030 1
497 56 56 LEU CD1 C 23.745 0.300 2
498 56 56 LEU HD1 H 0.679 0.030 1
499 56 56 LEU CD2 C 24.580 0.300 2
500 56 56 LEU HD2 H 0.109 0.030 1
501 56 56 LEU C C 175.389 0.300 1
502 56 56 LEU HB2 H 1.461 0.030 2
503 57 57 ALA N N 130.035 0.300 1
504 57 57 ALA H H 8.880 0.030 1
505 57 57 ALA CA C 51.758 0.300 1
506 57 57 ALA HA H 4.641 0.030 1
507 57 57 ALA CB C 21.820 0.300 1
508 57 57 ALA HB H 1.175 0.030 1
509 57 57 ALA C C 174.647 0.300 1
510 58 58 VAL N N 120.958 0.300 1
511 58 58 VAL H H 8.443 0.030 1
512 58 58 VAL CA C 60.495 0.300 1
513 58 58 VAL HA H 4.988 0.030 1
514 58 58 VAL CB C 34.639 0.300 1
515 58 58 VAL HB H 1.706 0.030 1
516 58 58 VAL CG1 C 21.353 0.300 1
517 58 58 VAL HG1 H 0.812 0.030 1
518 58 58 VAL CG2 C 21.353 0.300 1
519 58 58 VAL HG2 H 0.812 0.030 1
520 58 58 VAL C C 174.646 0.300 1
521 59 59 GLN N N 127.048 0.300 1
522 59 59 GLN H H 9.196 0.030 1
523 59 59 GLN CA C 54.587 0.300 1
524 59 59 GLN HA H 4.706 0.030 1
525 59 59 GLN CB C 31.580 0.300 1
526 59 59 GLN HB3 H 1.991 0.030 2
527 59 59 GLN CG C 33.770 0.300 1
528 59 59 GLN HG3 H 2.231 0.030 1
529 59 59 GLN NE2 N 111.120 0.300 1
530 59 59 GLN HE21 H 6.674 0.030 2
531 59 59 GLN HE22 H 7.328 0.030 2
532 59 59 GLN C C 174.197 0.300 1
533 59 59 GLN HB2 H 1.905 0.030 2
534 59 59 GLN HG2 H 2.231 0.030 1
535 60 60 ILE N N 127.617 0.300 1
536 60 60 ILE H H 9.299 0.030 1
537 60 60 ILE CA C 60.506 0.300 1
538 60 60 ILE HA H 5.210 0.030 1
539 60 60 ILE CB C 39.172 0.300 1
540 60 60 ILE HB H 1.797 0.030 1
541 60 60 ILE CG1 C 27.289 0.300 1
542 60 60 ILE HG13 H 1.392 0.030 2
543 60 60 ILE CG2 C 16.708 0.300 1
544 60 60 ILE HG2 H 0.517 0.030 1
545 60 60 ILE CD1 C 13.815 0.300 1
546 60 60 ILE HD1 H 0.175 0.030 1
547 60 60 ILE C C 175.608 0.300 1
548 60 60 ILE HG12 H 0.744 0.030 2
549 61 61 THR N N 119.733 0.300 1
550 61 61 THR H H 8.924 0.030 1
551 61 61 THR CA C 59.565 0.300 1
552 61 61 THR HA H 5.173 0.030 1
553 61 61 THR CB C 72.121 0.300 1
554 61 61 THR HB H 3.841 0.030 1
555 61 61 THR CG2 C 21.982 0.300 1
556 61 61 THR HG2 H 1.055 0.030 1
557 61 61 THR C C 174.051 0.300 1
558 62 62 ASP N N 122.337 0.300 1
559 62 62 ASP H H 8.484 0.030 1
560 62 62 ASP CA C 52.200 0.300 1
561 62 62 ASP HA H 4.425 0.030 1
562 62 62 ASP CB C 42.222 0.300 1
563 62 62 ASP HB3 H 2.366 0.030 2
564 62 62 ASP C C 179.086 0.300 1
565 62 62 ASP HB2 H 3.149 0.030 2
566 63 63 GLN N N 118.341 0.300 1
567 63 63 GLN H H 8.250 0.030 1
568 63 63 GLN CA C 58.406 0.300 1
569 63 63 GLN HA H 4.049 0.030 1
570 63 63 GLN CB C 28.127 0.300 1
571 63 63 GLN HB3 H 2.264 0.030 2
572 63 63 GLN CG C 33.365 0.300 1
573 63 63 GLN HG3 H 2.469 0.030 2
574 63 63 GLN NE2 N 112.388 0.300 1
575 63 63 GLN HE21 H 6.905 0.030 2
576 63 63 GLN HE22 H 7.683 0.030 2
577 63 63 GLN C C 177.152 0.300 1
578 63 63 GLN HB2 H 2.160 0.030 2
579 63 63 GLN HG2 H 2.378 0.030 2
580 64 64 GLU N N 119.134 0.300 1
581 64 64 GLU H H 8.120 0.030 1
582 64 64 GLU CA C 55.790 0.300 1
583 64 64 GLU HA H 4.423 0.030 1
584 64 64 GLU CB C 30.102 0.300 1
585 64 64 GLU HB3 H 2.045 0.030 2
586 64 64 GLU CG C 37.131 0.300 1
587 64 64 GLU HG3 H 2.241 0.030 1
588 64 64 GLU C C 176.374 0.300 1
589 64 64 GLU HB2 H 2.268 0.030 2
590 64 64 GLU HG2 H 2.241 0.030 1
591 65 65 GLY N N 108.728 0.300 1
592 65 65 GLY H H 8.306 0.030 1
593 65 65 GLY CA C 45.285 0.300 1
594 65 65 GLY HA3 H 3.561 0.030 2
595 65 65 GLY C C 174.342 0.300 1
596 65 65 GLY HA2 H 4.203 0.030 2
597 66 66 LYS N N 123.502 0.300 1
598 66 66 LYS H H 8.528 0.030 1
599 66 66 LYS CA C 53.738 0.300 1
600 66 66 LYS HA H 4.613 0.030 1
601 66 66 LYS CB C 31.167 0.300 1
602 66 66 LYS HB3 H 1.799 0.030 2
603 66 66 LYS CG C 25.105 0.300 1
604 66 66 LYS HG3 H 1.477 0.030 2
605 66 66 LYS CD C 28.866 0.300 1
606 66 66 LYS HD3 H 1.692 0.030 1
607 66 66 LYS CE C 42.212 0.300 1
608 66 66 LYS HE3 H 2.998 0.030 1
609 66 66 LYS C C 174.752 0.300 1
610 66 66 LYS HB2 H 2.100 0.030 2
611 66 66 LYS HD2 H 1.692 0.030 1
612 66 66 LYS HE2 H 2.998 0.030 1
613 66 66 LYS HG2 H 1.380 0.030 2
614 67 67 PRO CA C 62.433 0.300 1
615 67 67 PRO HA H 5.062 0.030 1
616 67 67 PRO CB C 32.725 0.300 1
617 67 67 PRO HB3 H 1.916 0.030 2
618 67 67 PRO CG C 27.356 0.300 1
619 67 67 PRO HG3 H 2.144 0.030 2
620 67 67 PRO CD C 50.789 0.300 1
621 67 67 PRO HD3 H 3.979 0.030 2
622 67 67 PRO C C 177.270 0.300 1
623 67 67 PRO HB2 H 2.321 0.030 2
624 67 67 PRO HD2 H 3.717 0.030 2
625 67 67 PRO HG2 H 2.066 0.030 2
626 68 68 LYS N N 121.461 0.300 1
627 68 68 LYS H H 8.419 0.030 1
628 68 68 LYS CA C 52.023 0.300 1
629 68 68 LYS HA H 4.797 0.030 1
630 68 68 LYS CB C 32.611 0.300 1
631 68 68 LYS HB3 H 1.553 0.030 2
632 68 68 LYS CG C 24.055 0.300 1
633 68 68 LYS HG3 H 1.542 0.030 2
634 68 68 LYS CD C 27.293 0.300 1
635 68 68 LYS HD3 H 1.911 0.030 2
636 68 68 LYS CE C 42.492 0.300 1
637 68 68 LYS HE3 H 3.104 0.030 2
638 68 68 LYS C C 175.389 0.300 1
639 68 68 LYS HB2 H 1.859 0.030 2
640 68 68 LYS HD2 H 1.483 0.030 2
641 68 68 LYS HE2 H 3.192 0.030 2
642 68 68 LYS HG2 H 1.453 0.030 2
643 69 69 ARG N N 124.040 0.300 1
644 69 69 ARG H H 8.683 0.030 1
645 69 69 ARG CA C 57.045 0.300 1
646 69 69 ARG HA H 4.221 0.030 1
647 69 69 ARG CB C 30.712 0.300 1
648 69 69 ARG HB3 H 1.812 0.030 1
649 69 69 ARG CG C 27.355 0.300 1
650 69 69 ARG HG3 H 1.707 0.030 2
651 69 69 ARG CD C 43.532 0.300 1
652 69 69 ARG HD3 H 3.224 0.030 1
653 69 69 ARG C C 174.877 0.300 1
654 69 69 ARG HB2 H 1.812 0.030 1
655 69 69 ARG HD2 H 3.224 0.030 1
656 69 69 ARG HG2 H 1.531 0.030 2
657 70 70 ALA N N 127.074 0.300 1
658 70 70 ALA H H 8.421 0.030 1
659 70 70 ALA CA C 50.360 0.300 1
660 70 70 ALA HA H 4.859 0.030 1
661 70 70 ALA CB C 20.569 0.300 1
662 70 70 ALA HB H 1.127 0.030 1
663 70 70 ALA C C 176.313 0.300 1
664 71 71 ILE N N 124.496 0.300 1
665 71 71 ILE H H 8.943 0.030 1
666 71 71 ILE CA C 60.870 0.300 1
667 71 71 ILE HA H 4.195 0.030 1
668 71 71 ILE CB C 38.457 0.300 1
669 71 71 ILE HB H 1.864 0.030 1
670 71 71 ILE CG1 C 27.386 0.300 1
671 71 71 ILE HG13 H 1.478 0.030 2
672 71 71 ILE CG2 C 17.544 0.300 1
673 71 71 ILE HG2 H 0.803 0.030 1
674 71 71 ILE CD1 C 12.768 0.300 1
675 71 71 ILE HD1 H 0.806 0.030 1
676 71 71 ILE C C 175.027 0.300 1
677 71 71 ILE HG12 H 1.114 0.030 2
678 72 72 VAL N N 128.410 0.300 1
679 72 72 VAL H H 8.714 0.030 1
680 72 72 VAL CA C 61.867 0.300 1
681 72 72 VAL HA H 4.478 0.030 1
682 72 72 VAL CB C 32.745 0.300 1
683 72 72 VAL HB H 2.073 0.030 1
684 72 72 VAL CG1 C 20.955 0.300 1
685 72 72 VAL HG1 H 0.831 0.030 1
686 72 72 VAL CG2 C 20.955 0.300 1
687 72 72 VAL HG2 H 0.831 0.030 1
688 72 72 VAL C C 175.279 0.300 1
689 73 73 HIS N N 129.084 0.300 1
690 73 73 HIS H H 9.783 0.030 1
691 73 73 HIS CA C 55.366 0.300 1
692 73 73 HIS HA H 4.849 0.030 1
693 73 73 HIS CB C 31.465 0.300 1
694 73 73 HIS HB3 H 2.979 0.030 2
695 73 73 HIS CD2 C 120.284 0.300 1
696 73 73 HIS HD2 H 7.003 0.030 1
697 73 73 HIS CE1 C 137.939 0.300 1
698 73 73 HIS HE1 H 8.049 0.030 1
699 73 73 HIS C C 173.491 0.300 1
700 73 73 HIS HB2 H 3.217 0.030 2
701 74 74 ASP N N 127.118 0.300 1
702 74 74 ASP H H 8.541 0.030 1
703 74 74 ASP CA C 53.048 0.300 1
704 74 74 ASP HA H 4.476 0.030 1
705 74 74 ASP CB C 41.554 0.300 1
706 74 74 ASP HB3 H 2.671 0.030 2
707 74 74 ASP C C 175.936 0.300 1
708 74 74 ASP HB2 H 2.876 0.030 2
709 75 75 ASN N N 124.002 0.300 1
710 75 75 ASN H H 7.827 0.030 1
711 75 75 ASN CA C 54.517 0.300 1
712 75 75 ASN HA H 4.572 0.030 1
713 75 75 ASN CB C 38.091 0.300 1
714 75 75 ASN HB3 H 2.687 0.030 2
715 75 75 ASN ND2 N 112.872 0.300 1
716 75 75 ASN HD21 H 7.697 0.030 2
717 75 75 ASN HD22 H 6.363 0.030 2
718 75 75 ASN C C 175.352 0.300 1
719 75 75 ASN HB2 H 2.938 0.030 2
720 76 76 LYS N N 114.689 0.300 1
721 76 76 LYS H H 9.246 0.030 1
722 76 76 LYS CA C 57.428 0.300 1
723 76 76 LYS HA H 3.882 0.030 1
724 76 76 LYS CB C 28.223 0.300 1
725 76 76 LYS HB3 H 1.951 0.030 2
726 76 76 LYS CG C 24.532 0.300 1
727 76 76 LYS HG3 H 1.304 0.030 2
728 76 76 LYS CD C 28.351 0.300 1
729 76 76 LYS HD3 H 1.641 0.030 2
730 76 76 LYS CE C 42.295 0.300 1
731 76 76 LYS HE3 H 2.975 0.030 1
732 76 76 LYS C C 174.975 0.300 1
733 76 76 LYS HB2 H 2.132 0.030 2
734 76 76 LYS HD2 H 1.563 0.030 2
735 76 76 LYS HE2 H 2.975 0.030 1
736 76 76 LYS HG2 H 1.164 0.030 2
737 77 77 ASP N N 117.462 0.300 1
738 77 77 ASP H H 7.831 0.030 1
739 77 77 ASP CA C 52.168 0.300 1
740 77 77 ASP HA H 4.706 0.030 1
741 77 77 ASP CB C 41.224 0.300 1
742 77 77 ASP HB3 H 2.396 0.030 2
743 77 77 ASP C C 176.739 0.300 1
744 77 77 ASP HB2 H 3.002 0.030 2
745 78 78 GLY N N 109.485 0.300 1
746 78 78 GLY H H 8.658 0.030 1
747 78 78 GLY CA C 45.568 0.300 1
748 78 78 GLY HA3 H 3.698 0.030 2
749 78 78 GLY C C 172.263 0.300 1
750 78 78 GLY HA2 H 4.323 0.030 2
751 79 79 THR N N 109.462 0.300 1
752 79 79 THR H H 8.057 0.030 1
753 79 79 THR CA C 59.989 0.300 1
754 79 79 THR HA H 5.566 0.030 1
755 79 79 THR CB C 72.712 0.300 1
756 79 79 THR HB H 4.429 0.030 1
757 79 79 THR CG2 C 20.959 0.300 1
758 79 79 THR HG2 H 1.078 0.030 1
759 79 79 THR C C 173.868 0.300 1
760 80 80 TYR N N 116.428 0.300 1
761 80 80 TYR H H 9.085 0.030 1
762 80 80 TYR CA C 56.533 0.300 1
763 80 80 TYR HA H 5.372 0.030 1
764 80 80 TYR CB C 42.831 0.300 1
765 80 80 TYR HB3 H 2.730 0.030 2
766 80 80 TYR CD1 C 132.992 0.300 1
767 80 80 TYR HD1 H 6.759 0.030 1
768 80 80 TYR CD2 C 132.992 0.300 1
769 80 80 TYR HD2 H 6.759 0.030 1
770 80 80 TYR CE1 C 118.049 0.300 1
771 80 80 TYR HE1 H 6.701 0.030 1
772 80 80 TYR CE2 C 118.049 0.300 1
773 80 80 TYR HE2 H 6.701 0.030 1
774 80 80 TYR C C 175.327 0.300 1
775 80 80 TYR HB2 H 2.495 0.030 2
776 81 81 ALA N N 126.743 0.300 1
777 81 81 ALA H H 9.302 0.030 1
778 81 81 ALA CA C 51.121 0.300 1
779 81 81 ALA HA H 5.149 0.030 1
780 81 81 ALA CB C 22.111 0.300 1
781 81 81 ALA HB H 1.501 0.030 1
782 81 81 ALA C C 175.505 0.300 1
783 82 82 VAL N N 124.472 0.300 1
784 82 82 VAL H H 8.940 0.030 1
785 82 82 VAL CA C 60.264 0.300 1
786 82 82 VAL HA H 5.039 0.030 1
787 82 82 VAL CB C 33.236 0.300 1
788 82 82 VAL HB H 0.134 0.030 1
789 82 82 VAL CG1 C 22.488 0.300 2
790 82 82 VAL HG1 H 0.527 0.030 1
791 82 82 VAL CG2 C 21.858 0.300 2
792 82 82 VAL HG2 H 0.449 0.030 1
793 82 82 VAL C C 174.517 0.300 1
794 83 83 THR N N 121.500 0.300 1
795 83 83 THR H H 8.717 0.030 1
796 83 83 THR CA C 61.075 0.300 1
797 83 83 THR HA H 5.497 0.030 1
798 83 83 THR CB C 72.153 0.300 1
799 83 83 THR HB H 3.667 0.030 1
800 83 83 THR CG2 C 21.506 0.300 1
801 83 83 THR HG2 H 1.123 0.030 1
802 83 83 THR C C 173.515 0.300 1
803 84 84 TYR N N 122.841 0.300 1
804 84 84 TYR H H 9.014 0.030 1
805 84 84 TYR CA C 55.985 0.300 1
806 84 84 TYR HA H 4.979 0.030 1
807 84 84 TYR CB C 41.967 0.300 1
808 84 84 TYR HB3 H 2.789 0.030 1
809 84 84 TYR CD1 C 132.453 0.300 1
810 84 84 TYR HD1 H 6.480 0.030 1
811 84 84 TYR CD2 C 132.453 0.300 1
812 84 84 TYR HD2 H 6.480 0.030 1
813 84 84 TYR CE1 C 116.751 0.300 1
814 84 84 TYR HE1 H 6.114 0.030 1
815 84 84 TYR CE2 C 116.751 0.300 1
816 84 84 TYR HE2 H 6.114 0.030 1
817 84 84 TYR C C 171.873 0.300 1
818 84 84 TYR HB2 H 2.789 0.030 1
819 85 85 ILE N N 118.254 0.300 1
820 85 85 ILE H H 8.805 0.030 1
821 85 85 ILE CA C 57.883 0.300 1
822 85 85 ILE HA H 4.550 0.030 1
823 85 85 ILE CB C 40.179 0.300 1
824 85 85 ILE HB H 1.721 0.030 1
825 85 85 ILE CG1 C 27.630 0.300 1
826 85 85 ILE HG13 H 1.420 0.030 2
827 85 85 ILE CG2 C 16.916 0.300 1
828 85 85 ILE HG2 H 0.429 0.030 1
829 85 85 ILE CD1 C 13.861 0.300 1
830 85 85 ILE HD1 H 0.825 0.030 1
831 85 85 ILE C C 174.339 0.300 1
832 85 85 ILE HG12 H 0.494 0.030 2
833 86 86 PRO CA C 61.414 0.300 1
834 86 86 PRO HA H 4.436 0.030 1
835 86 86 PRO CB C 30.107 0.300 1
836 86 86 PRO HB3 H 1.239 0.030 2
837 86 86 PRO CG C 26.671 0.300 1
838 86 86 PRO HG3 H 2.236 0.030 2
839 86 86 PRO CD C 50.301 0.300 1
840 86 86 PRO HD3 H 3.960 0.030 2
841 86 86 PRO C C 175.126 0.300 1
842 86 86 PRO HB2 H 1.771 0.030 2
843 86 86 PRO HD2 H 3.276 0.030 2
844 86 86 PRO HG2 H 1.626 0.030 2
845 87 87 ASP N N 123.447 0.300 1
846 87 87 ASP H H 8.501 0.030 1
847 87 87 ASP CA C 55.668 0.300 1
848 87 87 ASP HA H 4.263 0.030 1
849 87 87 ASP CB C 40.930 0.300 1
850 87 87 ASP HB3 H 2.718 0.030 1
851 87 87 ASP C C 175.182 0.300 1
852 87 87 ASP HB2 H 2.718 0.030 1
853 88 88 LYS N N 116.947 0.300 1
854 88 88 LYS H H 7.683 0.030 1
855 88 88 LYS CA C 54.995 0.300 1
856 88 88 LYS HA H 4.588 0.030 1
857 88 88 LYS CB C 34.821 0.300 1
858 88 88 LYS HB3 H 1.752 0.030 2
859 88 88 LYS CG C 24.520 0.300 1
860 88 88 LYS HG3 H 1.461 0.030 1
861 88 88 LYS CD C 29.088 0.300 1
862 88 88 LYS HD3 H 1.690 0.030 1
863 88 88 LYS CE C 42.213 0.300 1
864 88 88 LYS HE3 H 2.992 0.030 1
865 88 88 LYS C C 177.529 0.300 1
866 88 88 LYS HB2 H 1.933 0.030 2
867 88 88 LYS HD2 H 1.690 0.030 1
868 88 88 LYS HE2 H 2.992 0.030 1
869 88 88 LYS HG2 H 1.461 0.030 1
870 89 89 THR N N 114.134 0.300 1
871 89 89 THR H H 8.588 0.030 1
872 89 89 THR CA C 62.828 0.300 1
873 89 89 THR HA H 4.083 0.030 1
874 89 89 THR CB C 69.590 0.300 1
875 89 89 THR HB H 4.348 0.030 1
876 89 89 THR CG2 C 22.620 0.300 1
877 89 89 THR HG2 H 1.236 0.030 1
878 89 89 THR C C 174.269 0.300 1
879 90 90 GLY N N 109.440 0.300 1
880 90 90 GLY H H 8.444 0.030 1
881 90 90 GLY CA C 44.648 0.300 1
882 90 90 GLY HA3 H 4.467 0.030 2
883 90 90 GLY C C 172.469 0.300 1
884 90 90 GLY HA2 H 3.908 0.030 2
885 91 91 ARG N N 120.781 0.300 1
886 91 91 ARG H H 8.271 0.030 1
887 91 91 ARG CA C 56.178 0.300 1
888 91 91 ARG HA H 4.951 0.030 1
889 91 91 ARG CB C 31.986 0.300 1
890 91 91 ARG HB3 H 1.792 0.030 2
891 91 91 ARG CG C 27.874 0.300 1
892 91 91 ARG HG3 H 1.658 0.030 2
893 91 91 ARG CD C 43.532 0.300 1
894 91 91 ARG HD3 H 3.186 0.030 2
895 91 91 ARG C C 175.711 0.300 1
896 91 91 ARG HB2 H 1.657 0.030 2
897 91 91 ARG HD2 H 3.101 0.030 2
898 91 91 ARG HG2 H 1.494 0.030 2
899 92 92 TYR N N 122.381 0.300 1
900 92 92 TYR H H 9.312 0.030 1
901 92 92 TYR CA C 56.886 0.300 1
902 92 92 TYR HA H 4.960 0.030 1
903 92 92 TYR CB C 41.223 0.300 1
904 92 92 TYR HB3 H 2.499 0.030 2
905 92 92 TYR CD1 C 132.675 0.300 1
906 92 92 TYR HD1 H 6.914 0.030 1
907 92 92 TYR CD2 C 132.675 0.300 1
908 92 92 TYR HD2 H 6.914 0.030 1
909 92 92 TYR CE1 C 117.401 0.300 1
910 92 92 TYR HE1 H 6.771 0.030 1
911 92 92 TYR CE2 C 117.401 0.300 1
912 92 92 TYR HE2 H 6.771 0.030 1
913 92 92 TYR C C 174.902 0.300 1
914 92 92 TYR HB2 H 2.687 0.030 2
915 93 93 MET N N 121.210 0.300 1
916 93 93 MET H H 8.819 0.030 1
917 93 93 MET CA C 53.745 0.300 1
918 93 93 MET HA H 5.346 0.030 1
919 93 93 MET CB C 34.220 0.300 1
920 93 93 MET HB3 H 1.892 0.030 1
921 93 93 MET CG C 32.230 0.300 1
922 93 93 MET HG3 H 2.411 0.030 2
923 93 93 MET CE C 16.509 0.300 1
924 93 93 MET HE H 1.919 0.030 1
925 93 93 MET C C 175.365 0.300 1
926 93 93 MET HB2 H 1.892 0.030 1
927 93 93 MET HG2 H 2.337 0.030 2
928 94 94 ILE N N 125.747 0.300 1
929 94 94 ILE H H 9.372 0.030 1
930 94 94 ILE CA C 60.685 0.300 1
931 94 94 ILE HA H 4.606 0.030 1
932 94 94 ILE CB C 39.188 0.300 1
933 94 94 ILE HB H 1.734 0.030 1
934 94 94 ILE CG1 C 27.062 0.300 1
935 94 94 ILE HG13 H 1.225 0.030 2
936 94 94 ILE CG2 C 16.634 0.300 1
937 94 94 ILE HG2 H 0.450 0.030 1
938 94 94 ILE CD1 C 13.851 0.300 1
939 94 94 ILE HD1 H 0.357 0.030 1
940 94 94 ILE C C 174.987 0.300 1
941 94 94 ILE HG12 H 0.633 0.030 2
942 95 95 GLY N N 116.553 0.300 1
943 95 95 GLY H H 9.509 0.030 1
944 95 95 GLY CA C 44.507 0.300 1
945 95 95 GLY HA3 H 3.605 0.030 2
946 95 95 GLY C C 173.175 0.300 1
947 95 95 GLY HA2 H 4.606 0.030 2
948 96 96 VAL N N 127.036 0.300 1
949 96 96 VAL H H 9.299 0.030 1
950 96 96 VAL CA C 61.308 0.300 1
951 96 96 VAL HA H 4.889 0.030 1
952 96 96 VAL CB C 34.145 0.300 1
953 96 96 VAL HB H 2.045 0.030 1
954 96 96 VAL CG1 C 22.562 0.300 2
955 96 96 VAL HG1 H 0.923 0.030 1
956 96 96 VAL CG2 C 20.781 0.300 2
957 96 96 VAL HG2 H 0.978 0.030 1
958 96 96 VAL C C 174.354 0.300 1
959 97 97 THR N N 115.219 0.300 1
960 97 97 THR H H 9.018 0.030 1
961 97 97 THR CA C 57.826 0.300 1
962 97 97 THR HA H 5.265 0.030 1
963 97 97 THR CB C 72.753 0.300 1
964 97 97 THR HB H 3.468 0.030 1
965 97 97 THR CG2 C 20.617 0.300 1
966 97 97 THR HG2 H 0.849 0.030 1
967 97 97 THR C C 173.175 0.300 1
968 98 98 TYR N N 122.768 0.300 1
969 98 98 TYR H H 9.149 0.030 1
970 98 98 TYR CA C 57.488 0.300 1
971 98 98 TYR HA H 5.077 0.030 1
972 98 98 TYR CB C 43.122 0.300 1
973 98 98 TYR HB3 H 2.444 0.030 2
974 98 98 TYR CD1 C 131.075 0.300 1
975 98 98 TYR HD1 H 6.637 0.030 1
976 98 98 TYR CD2 C 131.075 0.300 1
977 98 98 TYR HD2 H 6.637 0.030 1
978 98 98 TYR CE1 C 118.785 0.300 1
979 98 98 TYR HE1 H 6.591 0.030 1
980 98 98 TYR CE2 C 118.785 0.300 1
981 98 98 TYR HE2 H 6.591 0.030 1
982 98 98 TYR C C 175.949 0.300 1
983 98 98 TYR HB2 H 2.846 0.030 2
984 99 99 GLY N N 113.994 0.300 1
985 99 99 GLY H H 8.402 0.030 1
986 99 99 GLY CA C 45.010 0.300 1
987 99 99 GLY HA3 H 2.623 0.030 2
988 99 99 GLY C C 174.197 0.300 1
989 99 99 GLY HA2 H 3.220 0.030 2
990 100 100 GLY N N 103.115 0.300 1
991 100 100 GLY H H 8.288 0.030 1
992 100 100 GLY CA C 44.170 0.300 1
993 100 100 GLY HA3 H 4.265 0.030 2
994 100 100 GLY C C 173.054 0.300 1
995 100 100 GLY HA2 H 3.284 0.030 2
996 101 101 ASP N N 120.566 0.300 1
997 101 101 ASP H H 7.245 0.030 1
998 101 101 ASP CA C 52.908 0.300 1
999 101 101 ASP HA H 5.012 0.030 1
1000 101 101 ASP CB C 42.831 0.300 1
1001 101 101 ASP HB3 H 2.742 0.030 2
1002 101 101 ASP C C 175.182 0.300 1
1003 101 101 ASP HB2 H 2.813 0.030 2
1004 102 102 ASP N N 122.668 0.300 1
1005 102 102 ASP H H 8.597 0.030 1
1006 102 102 ASP CA C 56.233 0.300 1
1007 102 102 ASP HA H 4.667 0.030 1
1008 102 102 ASP CB C 42.373 0.300 1
1009 102 102 ASP HB3 H 2.380 0.030 2
1010 102 102 ASP C C 176.970 0.300 1
1011 102 102 ASP HB2 H 2.655 0.030 2
1012 103 103 ILE N N 117.672 0.300 1
1013 103 103 ILE H H 7.887 0.030 1
1014 103 103 ILE CA C 61.025 0.300 1
1015 103 103 ILE HA H 4.526 0.030 1
1016 103 103 ILE CB C 35.534 0.300 1
1017 103 103 ILE HB H 2.327 0.030 1
1018 103 103 ILE CG1 C 25.657 0.300 1
1019 103 103 ILE HG13 H 1.429 0.030 1
1020 103 103 ILE CG2 C 17.103 0.300 1
1021 103 103 ILE HG2 H 0.975 0.030 1
1022 103 103 ILE CD1 C 15.288 0.300 1
1023 103 103 ILE HD1 H 0.855 0.030 1
1024 103 103 ILE C C 173.902 0.300 1
1025 103 103 ILE HG12 H 1.429 0.030 1
1026 104 104 PRO CA C 66.456 0.300 1
1027 104 104 PRO HA H 4.177 0.030 1
1028 104 104 PRO CB C 31.709 0.300 1
1029 104 104 PRO HB3 H 1.886 0.030 2
1030 104 104 PRO CG C 28.686 0.300 1
1031 104 104 PRO HG3 H 1.945 0.030 2
1032 104 104 PRO CD C 50.555 0.300 1
1033 104 104 PRO HD3 H 3.698 0.030 2
1034 104 104 PRO HB2 H 2.358 0.030 2
1035 104 104 PRO HD2 H 4.379 0.030 2
1036 104 104 PRO HG2 H 2.312 0.030 2
1037 105 105 LEU N N 115.386 0.300 1
1038 105 105 LEU H H 8.464 0.030 1
1039 105 105 LEU CA C 55.294 0.300 1
1040 105 105 LEU HA H 3.845 0.030 1
1041 105 105 LEU CB C 39.148 0.300 1
1042 105 105 LEU HB3 H 1.287 0.030 1
1043 105 105 LEU CG C 27.626 0.300 1
1044 105 105 LEU HG H 1.487 0.030 1
1045 105 105 LEU CD1 C 25.340 0.300 2
1046 105 105 LEU HD1 H 1.002 0.030 1
1047 105 105 LEU CD2 C 22.782 0.300 2
1048 105 105 LEU HD2 H 0.833 0.030 1
1049 105 105 LEU HB2 H 1.287 0.030 1
1050 106 106 SER N N 111.669 0.300 1
1051 106 106 SER H H 7.338 0.030 1
1052 106 106 SER CA C 54.750 0.300 1
1053 106 106 SER HA H 4.347 0.030 1
1054 106 106 SER CB C 64.133 0.300 1
1055 106 106 SER HB3 H 4.127 0.030 2
1056 106 106 SER HB2 H 3.693 0.030 2
1057 107 107 PRO CA C 62.344 0.300 1
1058 107 107 PRO HA H 5.323 0.030 1
1059 107 107 PRO CB C 33.977 0.300 1
1060 107 107 PRO HB3 H 2.105 0.030 2
1061 107 107 PRO CG C 25.052 0.300 1
1062 107 107 PRO HG3 H 1.854 0.030 1
1063 107 107 PRO CD C 50.256 0.300 1
1064 107 107 PRO HD3 H 3.475 0.030 2
1065 107 107 PRO C C 176.003 0.300 1
1066 107 107 PRO HB2 H 1.635 0.030 2
1067 107 107 PRO HD2 H 3.404 0.030 2
1068 107 107 PRO HG2 H 1.854 0.030 1
1069 108 108 TYR N N 122.832 0.300 1
1070 108 108 TYR H H 9.294 0.030 1
1071 108 108 TYR CA C 57.629 0.300 1
1072 108 108 TYR HA H 4.428 0.030 1
1073 108 108 TYR CB C 40.091 0.300 1
1074 108 108 TYR HB3 H 2.736 0.030 2
1075 108 108 TYR CD1 C 133.150 0.300 1
1076 108 108 TYR HD1 H 7.049 0.030 1
1077 108 108 TYR CD2 C 133.150 0.300 1
1078 108 108 TYR HD2 H 7.049 0.030 1
1079 108 108 TYR CE1 C 118.212 0.300 1
1080 108 108 TYR HE1 H 6.480 0.030 1
1081 108 108 TYR CE2 C 118.212 0.300 1
1082 108 108 TYR HE2 H 6.480 0.030 1
1083 108 108 TYR C C 175.851 0.300 1
1084 108 108 TYR HB2 H 2.688 0.030 2
1085 109 109 ARG N N 122.941 0.300 1
1086 109 109 ARG H H 8.746 0.030 1
1087 109 109 ARG CA C 55.259 0.300 1
1088 109 109 ARG HA H 5.189 0.030 1
1089 109 109 ARG CB C 30.879 0.300 1
1090 109 109 ARG HB3 H 1.722 0.030 1
1091 109 109 ARG CG C 27.870 0.300 1
1092 109 109 ARG HG3 H 1.485 0.030 2
1093 109 109 ARG CD C 43.532 0.300 1
1094 109 109 ARG HD3 H 3.129 0.030 1
1095 109 109 ARG C C 175.522 0.300 1
1096 109 109 ARG HB2 H 1.722 0.030 1
1097 109 109 ARG HD2 H 3.129 0.030 1
1098 109 109 ARG HG2 H 1.613 0.030 2
1099 110 110 ILE N N 125.109 0.300 1
1100 110 110 ILE H H 8.742 0.030 1
1101 110 110 ILE CA C 57.577 0.300 1
1102 110 110 ILE HA H 4.758 0.030 1
1103 110 110 ILE CB C 41.138 0.300 1
1104 110 110 ILE HB H 1.889 0.030 1
1105 110 110 ILE CG1 C 27.040 0.300 1
1106 110 110 ILE HG13 H 1.313 0.030 2
1107 110 110 ILE CG2 C 18.968 0.300 1
1108 110 110 ILE HG2 H 0.865 0.030 1
1109 110 110 ILE CD1 C 12.524 0.300 1
1110 110 110 ILE HD1 H 0.615 0.030 1
1111 110 110 ILE C C 175.121 0.300 1
1112 110 110 ILE HG12 H 1.351 0.030 2
1113 111 111 ARG N N 125.357 0.300 1
1114 111 111 ARG H H 8.776 0.030 1
1115 111 111 ARG CA C 54.730 0.300 1
1116 111 111 ARG HA H 5.053 0.030 1
1117 111 111 ARG CB C 32.685 0.300 1
1118 111 111 ARG HB3 H 1.798 0.030 2
1119 111 111 ARG CG C 27.659 0.300 1
1120 111 111 ARG HG3 H 1.555 0.030 2
1121 111 111 ARG CD C 43.449 0.300 1
1122 111 111 ARG HD3 H 3.181 0.030 1
1123 111 111 ARG C C 174.163 0.300 1
1124 111 111 ARG HB2 H 1.720 0.030 2
1125 111 111 ARG HD2 H 3.181 0.030 1
1126 111 111 ARG HG2 H 1.489 0.030 2
1127 112 112 ALA N N 127.119 0.300 1
1128 112 112 ALA H H 9.208 0.030 1
1129 112 112 ALA CA C 49.945 0.300 1
1130 112 112 ALA HA H 5.851 0.030 1
1131 112 112 ALA CB C 21.329 0.300 1
1132 112 112 ALA HB H 1.456 0.030 1
1133 112 112 ALA C C 178.853 0.300 1
1134 113 113 THR N N 116.033 0.300 1
1135 113 113 THR H H 8.995 0.030 1
1136 113 113 THR CA C 60.312 0.300 1
1137 113 113 THR HA H 4.695 0.030 1
1138 113 113 THR CB C 71.251 0.300 1
1139 113 113 THR HB H 4.263 0.030 1
1140 113 113 THR CG2 C 21.441 0.300 1
1141 113 113 THR HG2 H 1.143 0.030 1
1142 113 113 THR C C 173.710 0.300 1
1143 114 114 GLN N N 122.122 0.300 1
1144 114 114 GLN H H 8.753 0.030 1
1145 114 114 GLN CA C 55.817 0.300 1
1146 114 114 GLN HA H 4.570 0.030 1
1147 114 114 GLN CB C 30.106 0.300 1
1148 114 114 GLN HB3 H 2.132 0.030 2
1149 114 114 GLN CG C 33.723 0.300 1
1150 114 114 GLN HG3 H 2.393 0.030 1
1151 114 114 GLN NE2 N 112.396 0.300 1
1152 114 114 GLN HE21 H 7.616 0.030 2
1153 114 114 GLN HE22 H 6.896 0.030 2
1154 114 114 GLN C C 176.106 0.300 1
1155 114 114 GLN HB2 H 2.045 0.030 2
1156 114 114 GLN HG2 H 2.393 0.030 1
1157 115 115 THR N N 117.345 0.300 1
1158 115 115 THR H H 8.493 0.030 1
1159 115 115 THR CA C 62.328 0.300 1
1160 115 115 THR HA H 4.351 0.030 1
1161 115 115 THR CB C 69.874 0.300 1
1162 115 115 THR HB H 4.224 0.030 1
1163 115 115 THR CG2 C 21.736 0.300 1
1164 115 115 THR HG2 H 1.246 0.030 1
1165 115 115 THR C C 175.158 0.300 1
1166 116 116 GLY N N 111.927 0.300 1
1167 116 116 GLY H H 8.559 0.030 1
1168 116 116 GLY CA C 45.315 0.300 1
1169 116 116 GLY HA3 H 3.934 0.030 2
1170 116 116 GLY C C 173.820 0.300 1
1171 116 116 GLY HA2 H 4.030 0.030 2
1172 117 117 ASP N N 120.643 0.300 1
1173 117 117 ASP H H 8.208 0.030 1
1174 117 117 ASP CA C 54.393 0.300 1
1175 117 117 ASP HA H 4.615 0.030 1
1176 117 117 ASP CB C 41.388 0.300 1
1177 117 117 ASP HB3 H 2.726 0.030 2
1178 117 117 ASP C C 175.973 0.300 1
1179 117 117 ASP HB2 H 2.637 0.030 2
1180 118 118 ALA N N 124.934 0.300 1
1181 118 118 ALA H H 8.312 0.030 1
1182 118 118 ALA CA C 52.447 0.300 1
1183 118 118 ALA HA H 4.415 0.030 1
1184 118 118 ALA CB C 19.339 0.300 1
1185 118 118 ALA HB H 1.406 0.030 1
1186 118 118 ALA C C 176.848 0.300 1
1187 119 119 SER N N 121.187 0.300 1
1188 119 119 SER H H 7.967 0.030 1
1189 119 119 SER CA C 60.160 0.300 1
1190 119 119 SER HA H 4.233 0.030 1
1191 119 119 SER CB C 64.871 0.300 1
1192 119 119 SER HB3 H 3.852 0.030 1
1193 119 119 SER C C 178.832 0.300 1
1194 119 119 SER HB2 H 3.852 0.030 1
stop_
save_