data_11191
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the eighth PDZ domain of human InaD-like protein
;
_BMRB_accession_number 11191
_BMRB_flat_file_name bmr11191.str
_Entry_type original
_Submission_date 2010-07-21
_Accession_date 2010-07-23
_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 Inoue K. . .
2 Nagashima T. . .
3 Hayashi F. . .
4 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" 614
"13C chemical shifts" 458
"15N chemical shifts" 106
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-07-20 original author .
stop_
_Original_release_date 2011-07-20
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the eighth PDZ domain of human InaD-like protein'
_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 Inoue K. . .
2 Nagashima T. . .
3 Hayashi F. . .
4 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 'InaD-like protein'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'PDZ domain' $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 'PDZ domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 116
_Mol_residue_sequence
;
GSSGSSGPATCPIVPGQEMI
IEISKGRSGLGLSIVGGKDT
PLNAIVIHEVYEEGAAARDG
RLWAGDQILEVNGVDLRNSS
HEEAITALRQTPQKVRLVVY
RDEAHYRDEESGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 PRO 9 ALA 10 THR
11 CYS 12 PRO 13 ILE 14 VAL 15 PRO
16 GLY 17 GLN 18 GLU 19 MET 20 ILE
21 ILE 22 GLU 23 ILE 24 SER 25 LYS
26 GLY 27 ARG 28 SER 29 GLY 30 LEU
31 GLY 32 LEU 33 SER 34 ILE 35 VAL
36 GLY 37 GLY 38 LYS 39 ASP 40 THR
41 PRO 42 LEU 43 ASN 44 ALA 45 ILE
46 VAL 47 ILE 48 HIS 49 GLU 50 VAL
51 TYR 52 GLU 53 GLU 54 GLY 55 ALA
56 ALA 57 ALA 58 ARG 59 ASP 60 GLY
61 ARG 62 LEU 63 TRP 64 ALA 65 GLY
66 ASP 67 GLN 68 ILE 69 LEU 70 GLU
71 VAL 72 ASN 73 GLY 74 VAL 75 ASP
76 LEU 77 ARG 78 ASN 79 SER 80 SER
81 HIS 82 GLU 83 GLU 84 ALA 85 ILE
86 THR 87 ALA 88 LEU 89 ARG 90 GLN
91 THR 92 PRO 93 GLN 94 LYS 95 VAL
96 ARG 97 LEU 98 VAL 99 VAL 100 TYR
101 ARG 102 ASP 103 GLU 104 ALA 105 HIS
106 TYR 107 ARG 108 ASP 109 GLU 110 GLU
111 SER 112 GLY 113 PRO 114 SER 115 SER
116 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-05-12
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 2DM8 "Solution Structure Of The Eighth Pdz Domain Of Human Inad- Like Protein" 100.00 116 100.00 100.00 2.51e-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' 'E. coli' Escherichia coli . plasmid P050627-18
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.13mM U-15N, 13C-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.13 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
d-DTT 1 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 20031121
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRView
_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_Kujira
_Saveframe_category software
_Name Kujira
_Version 0.93191
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-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 298 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 C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
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_
_Software_label
$VNMR
$NMRPipe
$NMRView
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 15N-separated NOESY'
'3D 13C-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 'PDZ domain'
_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 HA2 H 4.190 0.030 1
2 7 7 GLY HA3 H 4.190 0.030 1
3 8 8 PRO HA H 4.830 0.030 1
4 8 8 PRO HB2 H 1.804 0.030 2
5 8 8 PRO HB3 H 2.141 0.030 2
6 8 8 PRO HD2 H 3.686 0.030 2
7 8 8 PRO HD3 H 3.733 0.030 2
8 8 8 PRO HG2 H 1.964 0.030 1
9 8 8 PRO HG3 H 1.964 0.030 1
10 8 8 PRO C C 178.543 0.300 1
11 8 8 PRO CA C 64.639 0.300 1
12 8 8 PRO CB C 32.544 0.300 1
13 8 8 PRO CD C 50.067 0.300 1
14 8 8 PRO CG C 27.101 0.300 1
15 9 9 ALA H H 8.861 0.030 1
16 9 9 ALA HA H 4.686 0.030 1
17 9 9 ALA HB H 1.531 0.030 1
18 9 9 ALA C C 178.455 0.300 1
19 9 9 ALA CA C 54.344 0.300 1
20 9 9 ALA CB C 19.321 0.300 1
21 9 9 ALA N N 123.194 0.300 1
22 10 10 THR H H 7.674 0.030 1
23 10 10 THR HA H 4.464 0.030 1
24 10 10 THR HB H 4.346 0.030 1
25 10 10 THR HG2 H 1.128 0.030 1
26 10 10 THR C C 174.821 0.300 1
27 10 10 THR CA C 61.183 0.300 1
28 10 10 THR CB C 71.367 0.300 1
29 10 10 THR CG2 C 21.849 0.300 1
30 10 10 THR N N 104.605 0.300 1
31 11 11 CYS H H 8.145 0.030 1
32 11 11 CYS HA H 4.677 0.030 1
33 11 11 CYS HB2 H 2.794 0.030 2
34 11 11 CYS HB3 H 3.131 0.030 2
35 11 11 CYS C C 171.248 0.300 1
36 11 11 CYS CA C 55.438 0.300 1
37 11 11 CYS CB C 26.793 0.300 1
38 11 11 CYS N N 123.244 0.300 1
39 12 12 PRO HA H 4.341 0.030 1
40 12 12 PRO HB2 H 1.705 0.030 2
41 12 12 PRO HB3 H 2.180 0.030 2
42 12 12 PRO HD2 H 3.670 0.030 2
43 12 12 PRO HD3 H 3.755 0.030 2
44 12 12 PRO HG2 H 1.896 0.030 2
45 12 12 PRO HG3 H 1.969 0.030 2
46 12 12 PRO C C 176.349 0.300 1
47 12 12 PRO CA C 62.006 0.300 1
48 12 12 PRO CB C 32.027 0.300 1
49 12 12 PRO CD C 50.301 0.300 1
50 12 12 PRO CG C 27.187 0.300 1
51 13 13 ILE H H 8.482 0.030 1
52 13 13 ILE HA H 3.700 0.030 1
53 13 13 ILE HB H 1.424 0.030 1
54 13 13 ILE HD1 H 0.546 0.030 1
55 13 13 ILE HG12 H 1.366 0.030 2
56 13 13 ILE HG13 H 0.857 0.030 2
57 13 13 ILE HG2 H 0.408 0.030 1
58 13 13 ILE C C 175.278 0.300 1
59 13 13 ILE CA C 61.493 0.300 1
60 13 13 ILE CB C 37.519 0.300 1
61 13 13 ILE CD1 C 12.718 0.300 1
62 13 13 ILE CG1 C 28.228 0.300 1
63 13 13 ILE CG2 C 16.711 0.300 1
64 13 13 ILE N N 119.606 0.300 1
65 14 14 VAL H H 7.276 0.030 1
66 14 14 VAL HA H 4.359 0.030 1
67 14 14 VAL HB H 1.926 0.030 1
68 14 14 VAL HG1 H 0.881 0.030 1
69 14 14 VAL HG2 H 0.841 0.030 1
70 14 14 VAL C C 174.097 0.300 1
71 14 14 VAL CA C 58.965 0.300 1
72 14 14 VAL CB C 33.328 0.300 1
73 14 14 VAL CG1 C 20.561 0.300 2
74 14 14 VAL CG2 C 20.517 0.300 2
75 14 14 VAL N N 129.215 0.300 1
76 15 15 PRO HA H 4.240 0.030 1
77 15 15 PRO HB2 H 1.741 0.030 2
78 15 15 PRO HB3 H 1.956 0.030 2
79 15 15 PRO HD2 H 3.602 0.030 2
80 15 15 PRO HD3 H 3.867 0.030 2
81 15 15 PRO HG2 H 2.018 0.030 2
82 15 15 PRO HG3 H 1.593 0.030 2
83 15 15 PRO C C 177.402 0.300 1
84 15 15 PRO CA C 62.991 0.300 1
85 15 15 PRO CB C 32.444 0.300 1
86 15 15 PRO CD C 51.181 0.300 1
87 15 15 PRO CG C 27.877 0.300 1
88 16 16 GLY H H 8.765 0.030 1
89 16 16 GLY HA2 H 3.710 0.030 2
90 16 16 GLY HA3 H 4.109 0.030 2
91 16 16 GLY C C 173.398 0.300 1
92 16 16 GLY CA C 45.915 0.300 1
93 16 16 GLY N N 108.436 0.300 1
94 17 17 GLN H H 7.430 0.030 1
95 17 17 GLN HA H 4.778 0.030 1
96 17 17 GLN HB2 H 1.825 0.030 2
97 17 17 GLN HB3 H 2.037 0.030 2
98 17 17 GLN HE21 H 6.854 0.030 2
99 17 17 GLN HE22 H 7.324 0.030 2
100 17 17 GLN HG2 H 2.128 0.030 2
101 17 17 GLN HG3 H 2.165 0.030 2
102 17 17 GLN C C 174.558 0.300 1
103 17 17 GLN CA C 53.806 0.300 1
104 17 17 GLN CB C 32.015 0.300 1
105 17 17 GLN CG C 33.239 0.300 1
106 17 17 GLN N N 116.413 0.300 1
107 17 17 GLN NE2 N 112.067 0.300 1
108 18 18 GLU H H 9.024 0.030 1
109 18 18 GLU HA H 4.661 0.030 1
110 18 18 GLU HB2 H 1.962 0.030 2
111 18 18 GLU HB3 H 1.772 0.030 2
112 18 18 GLU HG2 H 1.988 0.030 2
113 18 18 GLU HG3 H 2.349 0.030 2
114 18 18 GLU C C 176.278 0.300 1
115 18 18 GLU CA C 57.360 0.300 1
116 18 18 GLU CB C 29.211 0.300 1
117 18 18 GLU CG C 36.955 0.300 1
118 18 18 GLU N N 124.778 0.300 1
119 19 19 MET H H 9.060 0.030 1
120 19 19 MET HA H 4.931 0.030 1
121 19 19 MET HB2 H 1.850 0.030 2
122 19 19 MET HB3 H 1.941 0.030 2
123 19 19 MET HE H 2.021 0.030 1
124 19 19 MET HG2 H 2.358 0.030 2
125 19 19 MET HG3 H 2.643 0.030 2
126 19 19 MET C C 173.821 0.300 1
127 19 19 MET CA C 53.669 0.300 1
128 19 19 MET CB C 34.578 0.300 1
129 19 19 MET CE C 16.643 0.300 1
130 19 19 MET CG C 30.451 0.300 1
131 19 19 MET N N 123.895 0.300 1
132 20 20 ILE H H 8.266 0.030 1
133 20 20 ILE HA H 4.937 0.030 1
134 20 20 ILE HB H 1.652 0.030 1
135 20 20 ILE HD1 H 0.855 0.030 1
136 20 20 ILE HG12 H 0.987 0.030 2
137 20 20 ILE HG13 H 1.627 0.030 2
138 20 20 ILE HG2 H 0.752 0.030 1
139 20 20 ILE C C 175.980 0.300 1
140 20 20 ILE CA C 60.745 0.300 1
141 20 20 ILE CB C 39.143 0.300 1
142 20 20 ILE CD1 C 14.048 0.300 1
143 20 20 ILE CG1 C 28.650 0.300 1
144 20 20 ILE CG2 C 17.519 0.300 1
145 20 20 ILE N N 122.840 0.300 1
146 21 21 ILE H H 8.905 0.030 1
147 21 21 ILE HA H 4.904 0.030 1
148 21 21 ILE HB H 1.829 0.030 1
149 21 21 ILE HD1 H 0.672 0.030 1
150 21 21 ILE HG12 H 0.981 0.030 2
151 21 21 ILE HG13 H 1.223 0.030 2
152 21 21 ILE HG2 H 0.667 0.030 1
153 21 21 ILE C C 173.593 0.300 1
154 21 21 ILE CA C 58.973 0.300 1
155 21 21 ILE CB C 41.707 0.300 1
156 21 21 ILE CD1 C 13.825 0.300 1
157 21 21 ILE CG1 C 26.128 0.300 1
158 21 21 ILE CG2 C 17.739 0.300 1
159 21 21 ILE N N 119.808 0.300 1
160 22 22 GLU H H 7.589 0.030 1
161 22 22 GLU HA H 5.462 0.030 1
162 22 22 GLU HB2 H 1.621 0.030 1
163 22 22 GLU HB3 H 1.621 0.030 1
164 22 22 GLU HG2 H 1.848 0.030 2
165 22 22 GLU HG3 H 1.917 0.030 2
166 22 22 GLU C C 174.962 0.300 1
167 22 22 GLU CA C 54.080 0.300 1
168 22 22 GLU CB C 34.141 0.300 1
169 22 22 GLU CG C 37.557 0.300 1
170 22 22 GLU N N 122.234 0.300 1
171 23 23 ILE H H 8.921 0.030 1
172 23 23 ILE HA H 4.322 0.030 1
173 23 23 ILE HB H 1.400 0.030 1
174 23 23 ILE HD1 H 0.700 0.030 1
175 23 23 ILE HG12 H 0.931 0.030 2
176 23 23 ILE HG13 H 1.330 0.030 2
177 23 23 ILE HG2 H 0.646 0.030 1
178 23 23 ILE C C 174.804 0.300 1
179 23 23 ILE CA C 59.538 0.300 1
180 23 23 ILE CB C 42.226 0.300 1
181 23 23 ILE CD1 C 14.209 0.300 1
182 23 23 ILE CG1 C 27.599 0.300 1
183 23 23 ILE CG2 C 17.227 0.300 1
184 23 23 ILE N N 124.176 0.300 1
185 24 24 SER H H 8.789 0.030 1
186 24 24 SER HA H 5.021 0.030 1
187 24 24 SER HB2 H 3.776 0.030 2
188 24 24 SER HB3 H 3.853 0.030 2
189 24 24 SER C C 174.488 0.300 1
190 24 24 SER CA C 57.481 0.300 1
191 24 24 SER CB C 63.332 0.300 1
192 24 24 SER N N 122.691 0.300 1
193 25 25 LYS H H 9.027 0.030 1
194 25 25 LYS HA H 3.887 0.030 1
195 25 25 LYS HB2 H 1.732 0.030 2
196 25 25 LYS HB3 H 1.880 0.030 2
197 25 25 LYS HD2 H 1.598 0.030 2
198 25 25 LYS HD3 H 1.661 0.030 2
199 25 25 LYS HE2 H 2.938 0.030 1
200 25 25 LYS HE3 H 2.938 0.030 1
201 25 25 LYS HG2 H 1.223 0.030 2
202 25 25 LYS HG3 H 1.459 0.030 2
203 25 25 LYS C C 176.910 0.300 1
204 25 25 LYS CA C 58.139 0.300 1
205 25 25 LYS CB C 33.893 0.300 1
206 25 25 LYS CD C 29.922 0.300 1
207 25 25 LYS CE C 41.997 0.300 1
208 25 25 LYS CG C 25.632 0.300 1
209 25 25 LYS N N 125.739 0.300 1
210 26 26 GLY H H 8.264 0.030 1
211 26 26 GLY HA2 H 3.887 0.030 2
212 26 26 GLY HA3 H 4.094 0.030 2
213 26 26 GLY C C 176.893 0.300 1
214 26 26 GLY CA C 45.584 0.300 1
215 26 26 GLY N N 108.640 0.300 1
216 27 27 ARG HA H 4.320 0.030 1
217 27 27 ARG HB2 H 1.812 0.030 2
218 27 27 ARG HB3 H 1.980 0.030 2
219 27 27 ARG HD2 H 3.206 0.030 1
220 27 27 ARG HD3 H 3.206 0.030 1
221 27 27 ARG HG2 H 1.673 0.030 1
222 27 27 ARG HG3 H 1.673 0.030 1
223 27 27 ARG CA C 57.202 0.300 1
224 27 27 ARG CB C 30.120 0.300 1
225 27 27 ARG CD C 43.326 0.300 1
226 27 27 ARG CG C 27.263 0.300 1
227 28 28 SER H H 8.110 0.030 1
228 28 28 SER HA H 4.684 0.030 1
229 28 28 SER HB2 H 4.040 0.030 1
230 28 28 SER HB3 H 4.040 0.030 1
231 28 28 SER CA C 58.075 0.300 1
232 28 28 SER CB C 64.644 0.300 1
233 30 30 LEU HA H 4.025 0.030 1
234 30 30 LEU HB2 H 1.606 0.030 2
235 30 30 LEU HB3 H 1.752 0.030 2
236 30 30 LEU HD1 H 0.916 0.030 1
237 30 30 LEU HD2 H 0.829 0.030 1
238 30 30 LEU HG H 1.660 0.030 1
239 30 30 LEU CA C 57.868 0.300 1
240 30 30 LEU CB C 42.937 0.300 1
241 30 30 LEU CD1 C 24.927 0.300 2
242 30 30 LEU CD2 C 24.833 0.300 2
243 30 30 LEU CG C 27.383 0.300 1
244 31 31 GLY H H 8.779 0.030 1
245 31 31 GLY HA2 H 4.048 0.030 2
246 31 31 GLY HA3 H 4.117 0.030 2
247 31 31 GLY C C 173.944 0.300 1
248 31 31 GLY CA C 48.130 0.300 1
249 32 32 LEU H H 7.927 0.030 1
250 32 32 LEU HA H 4.844 0.030 1
251 32 32 LEU HB2 H 1.256 0.030 2
252 32 32 LEU HB3 H 1.604 0.030 2
253 32 32 LEU HD1 H 0.753 0.030 1
254 32 32 LEU HD2 H 0.640 0.030 1
255 32 32 LEU HG H 1.419 0.030 1
256 32 32 LEU C C 175.243 0.300 1
257 32 32 LEU CA C 53.251 0.300 1
258 32 32 LEU CB C 45.709 0.300 1
259 32 32 LEU CD1 C 26.000 0.300 2
260 32 32 LEU CD2 C 25.015 0.300 2
261 32 32 LEU CG C 25.928 0.300 1
262 32 32 LEU N N 117.679 0.300 1
263 33 33 SER H H 8.536 0.030 1
264 33 33 SER HA H 5.018 0.030 1
265 33 33 SER HB2 H 3.987 0.030 2
266 33 33 SER HB3 H 4.081 0.030 2
267 33 33 SER C C 175.295 0.300 1
268 33 33 SER CA C 55.779 0.300 1
269 33 33 SER CB C 65.260 0.300 1
270 33 33 SER N N 116.788 0.300 1
271 34 34 ILE H H 8.843 0.030 1
272 34 34 ILE HA H 5.389 0.030 1
273 34 34 ILE HB H 1.841 0.030 1
274 34 34 ILE HD1 H 0.523 0.030 1
275 34 34 ILE HG12 H 0.962 0.030 2
276 34 34 ILE HG13 H 1.351 0.030 2
277 34 34 ILE HG2 H 0.617 0.030 1
278 34 34 ILE C C 175.524 0.300 1
279 34 34 ILE CA C 58.962 0.300 1
280 34 34 ILE CB C 42.180 0.300 1
281 34 34 ILE CD1 C 14.699 0.300 1
282 34 34 ILE CG1 C 25.810 0.300 1
283 34 34 ILE CG2 C 19.148 0.300 1
284 34 34 ILE N N 119.329 0.300 1
285 35 35 VAL H H 9.331 0.030 1
286 35 35 VAL HA H 4.653 0.030 1
287 35 35 VAL HB H 2.113 0.030 1
288 35 35 VAL HG1 H 0.710 0.030 1
289 35 35 VAL HG2 H 0.782 0.030 1
290 35 35 VAL C C 174.225 0.300 1
291 35 35 VAL CA C 59.894 0.300 1
292 35 35 VAL CB C 36.079 0.300 1
293 35 35 VAL CG1 C 21.592 0.300 2
294 35 35 VAL CG2 C 18.797 0.300 2
295 35 35 VAL N N 117.815 0.300 1
296 36 36 GLY H H 8.595 0.030 1
297 36 36 GLY HA2 H 4.095 0.030 2
298 36 36 GLY HA3 H 5.413 0.030 2
299 36 36 GLY C C 174.786 0.300 1
300 36 36 GLY CA C 44.838 0.300 1
301 36 36 GLY N N 106.429 0.300 1
302 37 37 GLY H H 7.451 0.030 1
303 37 37 GLY HA2 H 3.768 0.030 2
304 37 37 GLY HA3 H 4.672 0.030 2
305 37 37 GLY CA C 43.355 0.300 1
306 37 37 GLY N N 105.260 0.300 1
307 38 38 LYS H H 8.673 0.030 1
308 38 38 LYS HA H 4.231 0.030 1
309 38 38 LYS HB2 H 1.538 0.030 2
310 38 38 LYS HB3 H 1.764 0.030 2
311 38 38 LYS HD2 H 1.578 0.030 2
312 38 38 LYS HD3 H 1.625 0.030 2
313 38 38 LYS HE2 H 2.970 0.030 1
314 38 38 LYS HE3 H 2.970 0.030 1
315 38 38 LYS HG2 H 1.166 0.030 2
316 38 38 LYS HG3 H 1.307 0.030 2
317 38 38 LYS CA C 58.230 0.300 1
318 38 38 LYS CB C 32.102 0.300 1
319 38 38 LYS CD C 29.162 0.300 1
320 38 38 LYS CE C 42.225 0.300 1
321 38 38 LYS CG C 23.852 0.300 1
322 39 39 ASP H H 9.755 0.030 1
323 39 39 ASP HA H 4.574 0.030 1
324 39 39 ASP HB2 H 2.699 0.030 2
325 39 39 ASP HB3 H 2.962 0.030 2
326 39 39 ASP C C 174.523 0.300 1
327 39 39 ASP CA C 53.504 0.300 1
328 39 39 ASP CB C 38.585 0.300 1
329 40 40 THR H H 7.864 0.030 1
330 40 40 THR HA H 5.036 0.030 1
331 40 40 THR HB H 4.468 0.030 1
332 40 40 THR HG2 H 0.973 0.030 1
333 40 40 THR C C 173.747 0.300 1
334 40 40 THR CA C 59.966 0.300 1
335 40 40 THR CB C 70.008 0.300 1
336 40 40 THR CG2 C 21.091 0.300 1
337 40 40 THR N N 112.200 0.300 1
338 41 41 PRO HA H 4.420 0.030 1
339 41 41 PRO HB2 H 1.866 0.030 2
340 41 41 PRO HB3 H 2.450 0.030 2
341 41 41 PRO HD2 H 3.734 0.030 2
342 41 41 PRO HD3 H 3.909 0.030 2
343 41 41 PRO HG2 H 1.959 0.030 2
344 41 41 PRO HG3 H 2.054 0.030 2
345 41 41 PRO C C 176.735 0.300 1
346 41 41 PRO CA C 64.036 0.300 1
347 41 41 PRO CB C 32.201 0.300 1
348 41 41 PRO CD C 50.950 0.300 1
349 41 41 PRO CG C 27.847 0.300 1
350 42 42 LEU H H 7.631 0.030 1
351 42 42 LEU HA H 4.288 0.030 1
352 42 42 LEU HB2 H 1.650 0.030 2
353 42 42 LEU HB3 H 1.698 0.030 2
354 42 42 LEU HD1 H 0.889 0.030 1
355 42 42 LEU HD2 H 0.863 0.030 1
356 42 42 LEU HG H 1.720 0.030 1
357 42 42 LEU C C 176.980 0.300 1
358 42 42 LEU CA C 55.527 0.300 1
359 42 42 LEU CB C 43.326 0.300 1
360 42 42 LEU CD1 C 24.636 0.300 2
361 42 42 LEU CD2 C 24.464 0.300 2
362 42 42 LEU CG C 27.571 0.300 1
363 42 42 LEU N N 117.456 0.300 1
364 43 43 ASN H H 7.895 0.030 1
365 43 43 ASN HA H 4.289 0.030 1
366 43 43 ASN HB2 H 2.687 0.030 2
367 43 43 ASN HB3 H 3.029 0.030 2
368 43 43 ASN HD21 H 6.861 0.030 2
369 43 43 ASN HD22 H 7.458 0.030 2
370 43 43 ASN C C 173.909 0.300 1
371 43 43 ASN CA C 55.378 0.300 1
372 43 43 ASN CB C 38.330 0.300 1
373 43 43 ASN N N 117.095 0.300 1
374 43 43 ASN ND2 N 111.558 0.300 1
375 44 44 ALA H H 7.649 0.030 1
376 44 44 ALA HA H 4.274 0.030 1
377 44 44 ALA HB H 1.167 0.030 1
378 44 44 ALA C C 175.102 0.300 1
379 44 44 ALA CA C 51.584 0.300 1
380 44 44 ALA CB C 21.084 0.300 1
381 44 44 ALA N N 119.935 0.300 1
382 45 45 ILE H H 8.529 0.030 1
383 45 45 ILE HA H 4.507 0.030 1
384 45 45 ILE HB H 2.564 0.030 1
385 45 45 ILE HD1 H 0.502 0.030 1
386 45 45 ILE HG12 H 1.752 0.030 2
387 45 45 ILE HG13 H 1.203 0.030 2
388 45 45 ILE HG2 H 0.696 0.030 1
389 45 45 ILE C C 175.050 0.300 1
390 45 45 ILE CA C 58.545 0.300 1
391 45 45 ILE CB C 34.266 0.300 1
392 45 45 ILE CD1 C 9.335 0.300 1
393 45 45 ILE CG1 C 26.335 0.300 1
394 45 45 ILE CG2 C 18.519 0.300 1
395 45 45 ILE N N 120.664 0.300 1
396 46 46 VAL H H 8.733 0.030 1
397 46 46 VAL HA H 4.870 0.030 1
398 46 46 VAL HB H 1.735 0.030 1
399 46 46 VAL HG1 H 0.829 0.030 1
400 46 46 VAL HG2 H 0.820 0.030 1
401 46 46 VAL C C 175.804 0.300 1
402 46 46 VAL CA C 60.004 0.300 1
403 46 46 VAL CB C 35.828 0.300 1
404 46 46 VAL CG1 C 21.453 0.300 2
405 46 46 VAL CG2 C 21.975 0.300 2
406 46 46 VAL N N 126.533 0.300 1
407 47 47 ILE H H 8.891 0.030 1
408 47 47 ILE HA H 4.012 0.030 1
409 47 47 ILE HB H 2.059 0.030 1
410 47 47 ILE HD1 H 0.849 0.030 1
411 47 47 ILE HG12 H 1.862 0.030 2
412 47 47 ILE HG13 H 0.826 0.030 2
413 47 47 ILE HG2 H 0.661 0.030 1
414 47 47 ILE C C 175.682 0.300 1
415 47 47 ILE CA C 63.487 0.300 1
416 47 47 ILE CB C 37.832 0.300 1
417 47 47 ILE CD1 C 15.290 0.300 1
418 47 47 ILE CG1 C 28.524 0.300 1
419 47 47 ILE CG2 C 18.209 0.300 1
420 47 47 ILE N N 123.457 0.300 1
421 48 48 HIS H H 9.715 0.030 1
422 48 48 HIS HA H 4.715 0.030 1
423 48 48 HIS HB2 H 3.069 0.030 2
424 48 48 HIS HB3 H 2.927 0.030 2
425 48 48 HIS HD2 H 7.044 0.030 1
426 48 48 HIS HE1 H 7.805 0.030 1
427 48 48 HIS C C 173.786 0.300 1
428 48 48 HIS CA C 57.324 0.300 1
429 48 48 HIS CB C 32.453 0.300 1
430 48 48 HIS CD2 C 119.449 0.300 1
431 48 48 HIS CE1 C 138.470 0.300 1
432 48 48 HIS N N 133.127 0.300 1
433 49 49 GLU H H 7.437 0.030 1
434 49 49 GLU HA H 4.214 0.030 1
435 49 49 GLU HB2 H 1.566 0.030 2
436 49 49 GLU HB3 H 1.648 0.030 2
437 49 49 GLU HG2 H 1.708 0.030 2
438 49 49 GLU HG3 H 1.754 0.030 2
439 49 49 GLU C C 173.136 0.300 1
440 49 49 GLU CA C 55.369 0.300 1
441 49 49 GLU CB C 33.765 0.300 1
442 49 49 GLU CG C 36.087 0.300 1
443 49 49 GLU N N 115.233 0.300 1
444 50 50 VAL H H 8.501 0.030 1
445 50 50 VAL HA H 4.026 0.030 1
446 50 50 VAL HB H 1.921 0.030 1
447 50 50 VAL HG1 H 0.788 0.030 1
448 50 50 VAL HG2 H 0.603 0.030 1
449 50 50 VAL C C 176.103 0.300 1
450 50 50 VAL CA C 61.348 0.300 1
451 50 50 VAL CB C 31.962 0.300 1
452 50 50 VAL CG1 C 21.513 0.300 2
453 50 50 VAL CG2 C 20.214 0.300 2
454 50 50 VAL N N 124.122 0.300 1
455 51 51 TYR H H 8.063 0.030 1
456 51 51 TYR HA H 4.667 0.030 1
457 51 51 TYR HB2 H 2.655 0.030 2
458 51 51 TYR HB3 H 3.296 0.030 2
459 51 51 TYR HD1 H 6.917 0.030 1
460 51 51 TYR HD2 H 6.917 0.030 1
461 51 51 TYR HE1 H 6.724 0.030 1
462 51 51 TYR HE2 H 6.724 0.030 1
463 51 51 TYR C C 177.630 0.300 1
464 51 51 TYR CA C 57.069 0.300 1
465 51 51 TYR CB C 37.480 0.300 1
466 51 51 TYR CD1 C 131.547 0.300 1
467 51 51 TYR CD2 C 131.547 0.300 1
468 51 51 TYR CE1 C 118.325 0.300 1
469 51 51 TYR CE2 C 118.325 0.300 1
470 51 51 TYR N N 126.689 0.300 1
471 52 52 GLU H H 9.088 0.030 1
472 52 52 GLU HA H 3.926 0.030 1
473 52 52 GLU HB2 H 2.051 0.030 1
474 52 52 GLU HB3 H 2.051 0.030 1
475 52 52 GLU HG2 H 2.332 0.030 2
476 52 52 GLU HG3 H 2.391 0.030 2
477 52 52 GLU C C 176.822 0.300 1
478 52 52 GLU CA C 59.236 0.300 1
479 52 52 GLU CB C 29.941 0.300 1
480 52 52 GLU CG C 36.464 0.300 1
481 52 52 GLU N N 123.383 0.300 1
482 53 53 GLU H H 8.546 0.030 1
483 53 53 GLU HA H 4.303 0.030 1
484 53 53 GLU HB2 H 2.066 0.030 2
485 53 53 GLU HB3 H 2.171 0.030 2
486 53 53 GLU HG2 H 2.186 0.030 2
487 53 53 GLU HG3 H 2.256 0.030 2
488 53 53 GLU C C 176.331 0.300 1
489 53 53 GLU CA C 56.768 0.300 1
490 53 53 GLU CB C 29.046 0.300 1
491 53 53 GLU CG C 36.357 0.300 1
492 53 53 GLU N N 115.137 0.300 1
493 54 54 GLY H H 7.597 0.030 1
494 54 54 GLY HA2 H 4.114 0.030 2
495 54 54 GLY HA3 H 4.255 0.030 2
496 54 54 GLY C C 173.821 0.300 1
497 54 54 GLY CA C 44.948 0.300 1
498 54 54 GLY N N 107.041 0.300 1
499 55 55 ALA H H 8.497 0.030 1
500 55 55 ALA HA H 4.103 0.030 1
501 55 55 ALA HB H 1.491 0.030 1
502 55 55 ALA C C 180.666 0.300 1
503 55 55 ALA CA C 54.799 0.300 1
504 55 55 ALA CB C 20.384 0.300 1
505 55 55 ALA N N 119.008 0.300 1
506 56 56 ALA H H 8.681 0.030 1
507 56 56 ALA HA H 4.132 0.030 1
508 56 56 ALA HB H 1.412 0.030 1
509 56 56 ALA C C 180.982 0.300 1
510 56 56 ALA CA C 55.356 0.300 1
511 56 56 ALA CB C 18.684 0.300 1
512 56 56 ALA N N 120.064 0.300 1
513 57 57 ALA H H 9.240 0.030 1
514 57 57 ALA HA H 4.046 0.030 1
515 57 57 ALA HB H 1.524 0.030 1
516 57 57 ALA C C 179.999 0.300 1
517 57 57 ALA CA C 55.199 0.300 1
518 57 57 ALA CB C 18.748 0.300 1
519 57 57 ALA N N 126.997 0.300 1
520 58 58 ARG H H 7.760 0.030 1
521 58 58 ARG HA H 4.013 0.030 1
522 58 58 ARG HB2 H 1.891 0.030 1
523 58 58 ARG HB3 H 1.891 0.030 1
524 58 58 ARG HD2 H 3.207 0.030 2
525 58 58 ARG HD3 H 3.263 0.030 2
526 58 58 ARG HG2 H 1.657 0.030 2
527 58 58 ARG HG3 H 1.801 0.030 2
528 58 58 ARG C C 178.349 0.300 1
529 58 58 ARG CA C 59.017 0.300 1
530 58 58 ARG CB C 30.081 0.300 1
531 58 58 ARG CD C 43.334 0.300 1
532 58 58 ARG CG C 27.552 0.300 1
533 58 58 ARG N N 117.955 0.300 1
534 59 59 ASP H H 7.989 0.030 1
535 59 59 ASP HA H 4.416 0.030 1
536 59 59 ASP HB2 H 2.700 0.030 2
537 59 59 ASP HB3 H 2.831 0.030 2
538 59 59 ASP C C 177.823 0.300 1
539 59 59 ASP CA C 57.179 0.300 1
540 59 59 ASP CB C 43.670 0.300 1
541 59 59 ASP N N 118.706 0.300 1
542 60 60 GLY H H 7.514 0.030 1
543 60 60 GLY HA2 H 3.939 0.030 2
544 60 60 GLY HA3 H 4.057 0.030 2
545 60 60 GLY C C 174.734 0.300 1
546 60 60 GLY CA C 46.730 0.300 1
547 60 60 GLY N N 102.864 0.300 1
548 61 61 ARG H H 7.871 0.030 1
549 61 61 ARG HA H 4.318 0.030 1
550 61 61 ARG HB2 H 1.506 0.030 2
551 61 61 ARG HB3 H 1.814 0.030 2
552 61 61 ARG HD2 H 2.996 0.030 2
553 61 61 ARG HD3 H 3.141 0.030 2
554 61 61 ARG HE H 8.891 0.030 1
555 61 61 ARG HG2 H 1.623 0.030 2
556 61 61 ARG HG3 H 1.703 0.030 2
557 61 61 ARG C C 176.682 0.300 1
558 61 61 ARG CA C 58.688 0.300 1
559 61 61 ARG CB C 33.326 0.300 1
560 61 61 ARG CD C 44.608 0.300 1
561 61 61 ARG CG C 27.049 0.300 1
562 61 61 ARG N N 118.712 0.300 1
563 61 61 ARG NE N 85.684 0.300 1
564 62 62 LEU H H 9.244 0.030 1
565 62 62 LEU HA H 3.886 0.030 1
566 62 62 LEU HB2 H 1.521 0.030 2
567 62 62 LEU HB3 H 1.085 0.030 2
568 62 62 LEU HD1 H 0.700 0.030 1
569 62 62 LEU HD2 H 0.777 0.030 1
570 62 62 LEU HG H 1.615 0.030 1
571 62 62 LEU C C 175.734 0.300 1
572 62 62 LEU CA C 55.593 0.300 1
573 62 62 LEU CB C 43.154 0.300 1
574 62 62 LEU CD1 C 25.976 0.300 2
575 62 62 LEU CD2 C 23.334 0.300 2
576 62 62 LEU CG C 26.833 0.300 1
577 62 62 LEU N N 119.331 0.300 1
578 63 63 TRP H H 8.864 0.030 1
579 63 63 TRP HA H 4.948 0.030 1
580 63 63 TRP HB2 H 3.095 0.030 2
581 63 63 TRP HB3 H 3.174 0.030 2
582 63 63 TRP HD1 H 6.973 0.030 1
583 63 63 TRP HE1 H 9.802 0.030 1
584 63 63 TRP HE3 H 7.507 0.030 1
585 63 63 TRP HH2 H 7.147 0.030 1
586 63 63 TRP HZ2 H 7.421 0.030 1
587 63 63 TRP HZ3 H 6.968 0.030 1
588 63 63 TRP C C 176.138 0.300 1
589 63 63 TRP CA C 52.891 0.300 1
590 63 63 TRP CB C 33.950 0.300 1
591 63 63 TRP CD1 C 124.449 0.300 1
592 63 63 TRP CE3 C 121.106 0.300 1
593 63 63 TRP CH2 C 124.259 0.300 1
594 63 63 TRP CZ2 C 114.134 0.300 1
595 63 63 TRP CZ3 C 121.102 0.300 1
596 63 63 TRP N N 120.788 0.300 1
597 63 63 TRP NE1 N 126.443 0.300 1
598 64 64 ALA H H 8.338 0.030 1
599 64 64 ALA HA H 3.730 0.030 1
600 64 64 ALA HB H 1.184 0.030 1
601 64 64 ALA C C 178.774 0.300 1
602 64 64 ALA CA C 53.587 0.300 1
603 64 64 ALA CB C 17.682 0.300 1
604 64 64 ALA N N 121.933 0.300 1
605 65 65 GLY H H 9.342 0.030 1
606 65 65 GLY HA2 H 3.433 0.030 2
607 65 65 GLY HA3 H 4.522 0.030 2
608 65 65 GLY C C 174.804 0.300 1
609 65 65 GLY CA C 45.013 0.300 1
610 65 65 GLY N N 112.966 0.300 1
611 66 66 ASP H H 8.034 0.030 1
612 66 66 ASP HA H 4.714 0.030 1
613 66 66 ASP HB2 H 2.264 0.030 2
614 66 66 ASP HB3 H 2.800 0.030 2
615 66 66 ASP C C 175.102 0.300 1
616 66 66 ASP CA C 56.082 0.300 1
617 66 66 ASP CB C 40.613 0.300 1
618 66 66 ASP N N 124.114 0.300 1
619 67 67 GLN H H 8.906 0.030 1
620 67 67 GLN HA H 5.297 0.030 1
621 67 67 GLN HB2 H 2.174 0.030 1
622 67 67 GLN HB3 H 2.174 0.030 1
623 67 67 GLN HE21 H 6.733 0.030 2
624 67 67 GLN HE22 H 7.617 0.030 2
625 67 67 GLN HG2 H 2.167 0.030 2
626 67 67 GLN HG3 H 2.666 0.030 2
627 67 67 GLN C C 176.366 0.300 1
628 67 67 GLN CA C 54.382 0.300 1
629 67 67 GLN CB C 30.625 0.300 1
630 67 67 GLN CG C 34.077 0.300 1
631 67 67 GLN N N 120.239 0.300 1
632 67 67 GLN NE2 N 110.071 0.300 1
633 68 68 ILE H H 8.553 0.030 1
634 68 68 ILE HA H 4.421 0.030 1
635 68 68 ILE HB H 1.565 0.030 1
636 68 68 ILE HD1 H 0.619 0.030 1
637 68 68 ILE HG12 H 1.498 0.030 2
638 68 68 ILE HG13 H 0.810 0.030 2
639 68 68 ILE HG2 H 0.729 0.030 1
640 68 68 ILE C C 174.751 0.300 1
641 68 68 ILE CA C 60.717 0.300 1
642 68 68 ILE CB C 38.783 0.300 1
643 68 68 ILE CD1 C 12.983 0.300 1
644 68 68 ILE CG1 C 26.726 0.300 1
645 68 68 ILE CG2 C 19.259 0.300 1
646 68 68 ILE N N 121.552 0.300 1
647 69 69 LEU H H 9.128 0.030 1
648 69 69 LEU HA H 4.282 0.030 1
649 69 69 LEU HB2 H 1.362 0.030 2
650 69 69 LEU HB3 H 1.397 0.030 2
651 69 69 LEU HD1 H 0.789 0.030 1
652 69 69 LEU HD2 H 0.769 0.030 1
653 69 69 LEU HG H 1.515 0.030 1
654 69 69 LEU C C 176.419 0.300 1
655 69 69 LEU CA C 56.027 0.300 1
656 69 69 LEU CB C 42.082 0.300 1
657 69 69 LEU CD1 C 25.898 0.300 2
658 69 69 LEU CD2 C 23.905 0.300 2
659 69 69 LEU CG C 28.165 0.300 1
660 69 69 LEU N N 126.233 0.300 1
661 70 70 GLU H H 7.499 0.030 1
662 70 70 GLU HA H 5.112 0.030 1
663 70 70 GLU HB2 H 1.991 0.030 2
664 70 70 GLU HB3 H 1.718 0.030 2
665 70 70 GLU HG2 H 1.916 0.030 2
666 70 70 GLU HG3 H 1.995 0.030 2
667 70 70 GLU C C 174.804 0.300 1
668 70 70 GLU CA C 55.236 0.300 1
669 70 70 GLU CB C 34.553 0.300 1
670 70 70 GLU CG C 36.745 0.300 1
671 70 70 GLU N N 116.049 0.300 1
672 71 71 VAL H H 8.473 0.030 1
673 71 71 VAL HA H 4.887 0.030 1
674 71 71 VAL HB H 1.767 0.030 1
675 71 71 VAL HG1 H 0.822 0.030 1
676 71 71 VAL HG2 H 0.819 0.030 1
677 71 71 VAL C C 174.646 0.300 1
678 71 71 VAL CA C 59.648 0.300 1
679 71 71 VAL CB C 34.576 0.300 1
680 71 71 VAL CG1 C 20.326 0.300 2
681 71 71 VAL CG2 C 22.453 0.300 2
682 71 71 VAL N N 120.636 0.300 1
683 72 72 ASN H H 9.805 0.030 1
684 72 72 ASN HA H 4.369 0.030 1
685 72 72 ASN HB2 H 2.550 0.030 2
686 72 72 ASN HB3 H 3.324 0.030 2
687 72 72 ASN HD21 H 6.903 0.030 2
688 72 72 ASN HD22 H 8.052 0.030 2
689 72 72 ASN C C 174.558 0.300 1
690 72 72 ASN CA C 54.793 0.300 1
691 72 72 ASN CB C 38.011 0.300 1
692 72 72 ASN N N 127.814 0.300 1
693 72 72 ASN ND2 N 111.450 0.300 1
694 73 73 GLY H H 8.657 0.030 1
695 73 73 GLY HA2 H 3.643 0.030 2
696 73 73 GLY HA3 H 4.109 0.030 2
697 73 73 GLY C C 173.758 0.300 1
698 73 73 GLY CA C 45.465 0.300 1
699 73 73 GLY N N 103.581 0.300 1
700 74 74 VAL H H 8.329 0.030 1
701 74 74 VAL HA H 3.949 0.030 1
702 74 74 VAL HB H 2.284 0.030 1
703 74 74 VAL HG1 H 0.797 0.030 1
704 74 74 VAL HG2 H 0.962 0.030 1
705 74 74 VAL C C 174.821 0.300 1
706 74 74 VAL CA C 62.500 0.300 1
707 74 74 VAL CB C 31.646 0.300 1
708 74 74 VAL CG1 C 21.007 0.300 2
709 74 74 VAL CG2 C 21.171 0.300 2
710 74 74 VAL N N 123.858 0.300 1
711 75 75 ASP H H 8.552 0.030 1
712 75 75 ASP HA H 4.404 0.030 1
713 75 75 ASP HB2 H 2.750 0.030 2
714 75 75 ASP HB3 H 2.806 0.030 2
715 75 75 ASP C C 176.945 0.300 1
716 75 75 ASP CA C 55.177 0.300 1
717 75 75 ASP CB C 41.616 0.300 1
718 75 75 ASP N N 127.895 0.300 1
719 76 76 LEU H H 8.974 0.030 1
720 76 76 LEU HA H 4.947 0.030 1
721 76 76 LEU HB2 H 1.309 0.030 2
722 76 76 LEU HB3 H 1.755 0.030 2
723 76 76 LEU HD1 H 0.688 0.030 1
724 76 76 LEU HD2 H 0.686 0.030 1
725 76 76 LEU HG H 1.641 0.030 1
726 76 76 LEU C C 179.368 0.300 1
727 76 76 LEU CA C 53.990 0.300 1
728 76 76 LEU CB C 42.339 0.300 1
729 76 76 LEU CD1 C 25.840 0.300 2
730 76 76 LEU CD2 C 22.649 0.300 2
731 76 76 LEU CG C 26.742 0.300 1
732 76 76 LEU N N 128.134 0.300 1
733 77 77 ARG H H 8.797 0.030 1
734 77 77 ARG HA H 4.030 0.030 1
735 77 77 ARG HB2 H 1.649 0.030 2
736 77 77 ARG HB3 H 2.144 0.030 2
737 77 77 ARG HD2 H 3.175 0.030 2
738 77 77 ARG HD3 H 3.312 0.030 2
739 77 77 ARG HE H 7.692 0.030 1
740 77 77 ARG HG2 H 1.805 0.030 2
741 77 77 ARG HG3 H 1.854 0.030 2
742 77 77 ARG C C 177.121 0.300 1
743 77 77 ARG CA C 59.702 0.300 1
744 77 77 ARG CB C 29.613 0.300 1
745 77 77 ARG CD C 43.583 0.300 1
746 77 77 ARG CG C 29.845 0.300 1
747 77 77 ARG N N 123.328 0.300 1
748 77 77 ARG NE N 85.759 0.300 1
749 78 78 ASN H H 8.549 0.030 1
750 78 78 ASN HA H 4.985 0.030 1
751 78 78 ASN HB2 H 2.446 0.030 2
752 78 78 ASN HB3 H 2.876 0.030 2
753 78 78 ASN HD21 H 6.828 0.030 2
754 78 78 ASN HD22 H 7.679 0.030 2
755 78 78 ASN C C 174.453 0.300 1
756 78 78 ASN CA C 52.380 0.300 1
757 78 78 ASN CB C 39.706 0.300 1
758 78 78 ASN N N 116.840 0.300 1
759 78 78 ASN ND2 N 113.556 0.300 1
760 79 79 SER H H 7.564 0.030 1
761 79 79 SER HA H 4.692 0.030 1
762 79 79 SER HB2 H 3.945 0.030 2
763 79 79 SER HB3 H 3.697 0.030 2
764 79 79 SER C C 175.278 0.300 1
765 79 79 SER CA C 59.154 0.300 1
766 79 79 SER CB C 65.592 0.300 1
767 79 79 SER N N 115.670 0.300 1
768 80 80 SER H H 9.189 0.030 1
769 80 80 SER HA H 4.596 0.030 1
770 80 80 SER HB2 H 3.985 0.030 2
771 80 80 SER HB3 H 4.383 0.030 2
772 80 80 SER C C 174.149 0.300 1
773 80 80 SER CA C 57.839 0.300 1
774 80 80 SER CB C 65.257 0.300 1
775 80 80 SER N N 119.863 0.300 1
776 81 81 HIS H H 10.033 0.030 1
777 81 81 HIS HA H 4.070 0.030 1
778 81 81 HIS HB2 H 3.279 0.030 2
779 81 81 HIS HB3 H 3.477 0.030 2
780 81 81 HIS HD2 H 7.006 0.030 1
781 81 81 HIS HE1 H 8.061 0.030 1
782 81 81 HIS C C 176.963 0.300 1
783 81 81 HIS CA C 61.857 0.300 1
784 81 81 HIS CB C 29.446 0.300 1
785 81 81 HIS CD2 C 121.744 0.300 1
786 81 81 HIS CE1 C 136.899 0.300 1
787 82 82 GLU H H 9.104 0.030 1
788 82 82 GLU HA H 3.970 0.030 1
789 82 82 GLU HB2 H 1.952 0.030 2
790 82 82 GLU HB3 H 2.101 0.030 2
791 82 82 GLU HG2 H 2.317 0.030 1
792 82 82 GLU HG3 H 2.317 0.030 1
793 82 82 GLU C C 179.631 0.300 1
794 82 82 GLU CA C 59.373 0.300 1
795 82 82 GLU CB C 29.505 0.300 1
796 82 82 GLU CG C 36.253 0.300 1
797 82 82 GLU N N 116.794 0.300 1
798 83 83 GLU H H 7.763 0.030 1
799 83 83 GLU HA H 3.942 0.030 1
800 83 83 GLU HB2 H 1.926 0.030 2
801 83 83 GLU HB3 H 2.308 0.030 2
802 83 83 GLU HG2 H 2.274 0.030 2
803 83 83 GLU HG3 H 2.348 0.030 2
804 83 83 GLU C C 179.578 0.300 1
805 83 83 GLU CA C 59.135 0.300 1
806 83 83 GLU CB C 30.014 0.300 1
807 83 83 GLU CG C 37.432 0.300 1
808 83 83 GLU N N 119.918 0.300 1
809 84 84 ALA H H 8.025 0.030 1
810 84 84 ALA HA H 4.027 0.030 1
811 84 84 ALA HB H 1.353 0.030 1
812 84 84 ALA C C 178.490 0.300 1
813 84 84 ALA CA C 55.188 0.300 1
814 84 84 ALA CB C 19.347 0.300 1
815 84 84 ALA N N 123.151 0.300 1
816 85 85 ILE H H 8.124 0.030 1
817 85 85 ILE HA H 3.623 0.030 1
818 85 85 ILE HB H 1.983 0.030 1
819 85 85 ILE HD1 H 0.719 0.030 1
820 85 85 ILE HG12 H 1.164 0.030 2
821 85 85 ILE HG13 H 1.365 0.030 2
822 85 85 ILE HG2 H 0.882 0.030 1
823 85 85 ILE C C 179.490 0.300 1
824 85 85 ILE CA C 63.734 0.300 1
825 85 85 ILE CB C 36.704 0.300 1
826 85 85 ILE CD1 C 11.782 0.300 1
827 85 85 ILE CG1 C 27.571 0.300 1
828 85 85 ILE CG2 C 17.533 0.300 1
829 85 85 ILE N N 117.363 0.300 1
830 86 86 THR H H 8.104 0.030 1
831 86 86 THR HA H 3.770 0.030 1
832 86 86 THR HB H 4.204 0.030 1
833 86 86 THR HG2 H 1.187 0.030 1
834 86 86 THR C C 175.524 0.300 1
835 86 86 THR CA C 67.092 0.300 1
836 86 86 THR CB C 68.631 0.300 1
837 86 86 THR CG2 C 21.564 0.300 1
838 86 86 THR N N 117.662 0.300 1
839 87 87 ALA H H 7.894 0.030 1
840 87 87 ALA HA H 4.102 0.030 1
841 87 87 ALA HB H 1.426 0.030 1
842 87 87 ALA C C 179.982 0.300 1
843 87 87 ALA CA C 54.984 0.300 1
844 87 87 ALA CB C 18.145 0.300 1
845 87 87 ALA N N 123.037 0.300 1
846 88 88 LEU H H 7.950 0.030 1
847 88 88 LEU HA H 3.943 0.030 1
848 88 88 LEU HB2 H 1.886 0.030 2
849 88 88 LEU HB3 H 1.474 0.030 2
850 88 88 LEU HD1 H 0.707 0.030 1
851 88 88 LEU HD2 H 0.708 0.030 1
852 88 88 LEU HG H 1.718 0.030 1
853 88 88 LEU C C 178.929 0.300 1
854 88 88 LEU CA C 57.481 0.300 1
855 88 88 LEU CB C 42.030 0.300 1
856 88 88 LEU CD1 C 25.738 0.300 2
857 88 88 LEU CD2 C 23.632 0.300 2
858 88 88 LEU CG C 27.563 0.300 1
859 88 88 LEU N N 115.176 0.300 1
860 89 89 ARG H H 8.030 0.030 1
861 89 89 ARG HA H 4.250 0.030 1
862 89 89 ARG HB2 H 2.024 0.030 1
863 89 89 ARG HB3 H 2.024 0.030 1
864 89 89 ARG HD2 H 3.237 0.030 1
865 89 89 ARG HD3 H 3.237 0.030 1
866 89 89 ARG HG2 H 1.753 0.030 2
867 89 89 ARG HG3 H 1.843 0.030 2
868 89 89 ARG C C 178.051 0.300 1
869 89 89 ARG CA C 58.633 0.300 1
870 89 89 ARG CB C 30.855 0.300 1
871 89 89 ARG CD C 43.763 0.300 1
872 89 89 ARG CG C 27.715 0.300 1
873 89 89 ARG N N 120.320 0.300 1
874 90 90 GLN H H 7.765 0.030 1
875 90 90 GLN HA H 4.535 0.030 1
876 90 90 GLN HB2 H 2.023 0.030 2
877 90 90 GLN HB3 H 2.250 0.030 2
878 90 90 GLN HE21 H 6.841 0.030 2
879 90 90 GLN HE22 H 7.433 0.030 2
880 90 90 GLN HG2 H 2.390 0.030 2
881 90 90 GLN HG3 H 2.582 0.030 2
882 90 90 GLN C C 175.330 0.300 1
883 90 90 GLN CA C 55.221 0.300 1
884 90 90 GLN CB C 27.762 0.300 1
885 90 90 GLN CG C 34.105 0.300 1
886 90 90 GLN N N 118.992 0.300 1
887 90 90 GLN NE2 N 111.165 0.300 1
888 91 91 THR H H 7.440 0.030 1
889 91 91 THR HA H 4.623 0.030 1
890 91 91 THR HB H 4.235 0.030 1
891 91 91 THR HG2 H 1.387 0.030 1
892 91 91 THR C C 173.398 0.300 1
893 91 91 THR CA C 58.590 0.300 1
894 91 91 THR CB C 70.158 0.300 1
895 91 91 THR CG2 C 23.612 0.300 1
896 91 91 THR N N 110.549 0.300 1
897 92 92 PRO HA H 4.778 0.030 1
898 92 92 PRO HB2 H 2.351 0.030 2
899 92 92 PRO HB3 H 2.270 0.030 2
900 92 92 PRO HD2 H 3.306 0.030 2
901 92 92 PRO HD3 H 3.801 0.030 2
902 92 92 PRO HG2 H 2.054 0.030 2
903 92 92 PRO HG3 H 2.089 0.030 2
904 92 92 PRO C C 174.330 0.300 1
905 92 92 PRO CA C 62.253 0.300 1
906 92 92 PRO CB C 31.543 0.300 1
907 92 92 PRO CD C 49.815 0.300 1
908 92 92 PRO CG C 26.591 0.300 1
909 93 93 GLN H H 8.118 0.030 1
910 93 93 GLN HA H 3.972 0.030 1
911 93 93 GLN HB2 H 2.121 0.030 1
912 93 93 GLN HB3 H 2.121 0.030 1
913 93 93 GLN HE21 H 7.051 0.030 2
914 93 93 GLN HE22 H 7.548 0.030 2
915 93 93 GLN HG2 H 2.451 0.030 2
916 93 93 GLN HG3 H 2.505 0.030 2
917 93 93 GLN C C 175.576 0.300 1
918 93 93 GLN CA C 59.318 0.300 1
919 93 93 GLN CB C 29.072 0.300 1
920 93 93 GLN CG C 34.516 0.300 1
921 93 93 GLN N N 115.362 0.300 1
922 93 93 GLN NE2 N 112.041 0.300 1
923 94 94 LYS H H 7.578 0.030 1
924 94 94 LYS HA H 4.770 0.030 1
925 94 94 LYS HB2 H 1.568 0.030 2
926 94 94 LYS HB3 H 1.682 0.030 2
927 94 94 LYS HD2 H 1.578 0.030 2
928 94 94 LYS HD3 H 1.625 0.030 2
929 94 94 LYS HE2 H 2.892 0.030 2
930 94 94 LYS HE3 H 2.970 0.030 2
931 94 94 LYS HG2 H 1.187 0.030 2
932 94 94 LYS HG3 H 1.306 0.030 2
933 94 94 LYS C C 175.155 0.300 1
934 94 94 LYS CA C 55.314 0.300 1
935 94 94 LYS CB C 32.697 0.300 1
936 94 94 LYS CD C 29.124 0.300 1
937 94 94 LYS CE C 41.917 0.300 1
938 94 94 LYS CG C 24.879 0.300 1
939 94 94 LYS N N 116.273 0.300 1
940 95 95 VAL H H 8.971 0.030 1
941 95 95 VAL HA H 4.309 0.030 1
942 95 95 VAL HB H 2.083 0.030 1
943 95 95 VAL HG1 H 0.894 0.030 1
944 95 95 VAL HG2 H 0.987 0.030 1
945 95 95 VAL C C 173.944 0.300 1
946 95 95 VAL CA C 61.325 0.300 1
947 95 95 VAL CB C 33.345 0.300 1
948 95 95 VAL CG1 C 22.016 0.300 2
949 95 95 VAL CG2 C 22.375 0.300 2
950 95 95 VAL N N 126.085 0.300 1
951 96 96 ARG H H 8.922 0.030 1
952 96 96 ARG HA H 5.094 0.030 1
953 96 96 ARG HB2 H 1.726 0.030 1
954 96 96 ARG HB3 H 1.726 0.030 1
955 96 96 ARG HD2 H 3.107 0.030 2
956 96 96 ARG HD3 H 3.174 0.030 2
957 96 96 ARG HG2 H 1.345 0.030 2
958 96 96 ARG HG3 H 1.539 0.030 2
959 96 96 ARG C C 175.366 0.300 1
960 96 96 ARG CA C 54.844 0.300 1
961 96 96 ARG CB C 31.591 0.300 1
962 96 96 ARG CD C 43.580 0.300 1
963 96 96 ARG CG C 28.405 0.300 1
964 96 96 ARG N N 128.338 0.300 1
965 97 97 LEU H H 9.174 0.030 1
966 97 97 LEU HA H 5.243 0.030 1
967 97 97 LEU HB2 H 1.576 0.030 2
968 97 97 LEU HB3 H 1.399 0.030 2
969 97 97 LEU HD1 H 0.725 0.030 1
970 97 97 LEU HD2 H 0.787 0.030 1
971 97 97 LEU HG H 1.582 0.030 1
972 97 97 LEU C C 175.250 0.300 1
973 97 97 LEU CA C 53.669 0.300 1
974 97 97 LEU CB C 45.965 0.300 1
975 97 97 LEU CD1 C 26.705 0.300 2
976 97 97 LEU CD2 C 25.586 0.300 2
977 97 97 LEU CG C 27.251 0.300 1
978 97 97 LEU N N 126.793 0.300 1
979 98 98 VAL H H 8.116 0.030 1
980 98 98 VAL HA H 5.043 0.030 1
981 98 98 VAL HB H 1.809 0.030 1
982 98 98 VAL HG1 H 0.840 0.030 1
983 98 98 VAL HG2 H 0.833 0.030 1
984 98 98 VAL C C 176.155 0.300 1
985 98 98 VAL CA C 61.677 0.300 1
986 98 98 VAL CB C 32.031 0.300 1
987 98 98 VAL CG1 C 21.764 0.300 2
988 98 98 VAL CG2 C 21.337 0.300 2
989 98 98 VAL N N 121.108 0.300 1
990 99 99 VAL H H 9.303 0.030 1
991 99 99 VAL HA H 5.504 0.030 1
992 99 99 VAL HB H 1.963 0.030 1
993 99 99 VAL HG1 H 0.831 0.030 1
994 99 99 VAL HG2 H 0.716 0.030 1
995 99 99 VAL C C 173.505 0.300 1
996 99 99 VAL CA C 58.715 0.300 1
997 99 99 VAL CB C 36.272 0.300 1
998 99 99 VAL CG1 C 21.592 0.300 2
999 99 99 VAL CG2 C 19.079 0.300 2
1000 99 99 VAL N N 122.745 0.300 1
1001 100 100 TYR H H 8.667 0.030 1
1002 100 100 TYR HA H 4.597 0.030 1
1003 100 100 TYR HB2 H 2.680 0.030 2
1004 100 100 TYR HB3 H 2.746 0.030 2
1005 100 100 TYR HD1 H 6.753 0.030 1
1006 100 100 TYR HD2 H 6.753 0.030 1
1007 100 100 TYR HE1 H 6.642 0.030 1
1008 100 100 TYR HE2 H 6.642 0.030 1
1009 100 100 TYR C C 172.505 0.300 1
1010 100 100 TYR CA C 57.838 0.300 1
1011 100 100 TYR CB C 43.113 0.300 1
1012 100 100 TYR CD1 C 132.786 0.300 1
1013 100 100 TYR CD2 C 132.786 0.300 1
1014 100 100 TYR CE1 C 117.808 0.300 1
1015 100 100 TYR CE2 C 117.808 0.300 1
1016 100 100 TYR N N 120.767 0.300 1
1017 101 101 ARG H H 9.074 0.030 1
1018 101 101 ARG HA H 4.557 0.030 1
1019 101 101 ARG HB2 H 1.456 0.030 2
1020 101 101 ARG HB3 H 1.097 0.030 2
1021 101 101 ARG HD2 H 2.188 0.030 2
1022 101 101 ARG HD3 H 2.925 0.030 2
1023 101 101 ARG HE H 9.175 0.030 1
1024 101 101 ARG HG2 H 1.388 0.030 2
1025 101 101 ARG HG3 H 1.550 0.030 2
1026 101 101 ARG C C 173.628 0.300 1
1027 101 101 ARG CA C 54.210 0.300 1
1028 101 101 ARG CB C 33.140 0.300 1
1029 101 101 ARG CD C 42.876 0.300 1
1030 101 101 ARG CG C 25.653 0.300 1
1031 101 101 ARG N N 133.129 0.300 1
1032 101 101 ARG NE N 83.323 0.300 1
1033 102 102 ASP H H 8.551 0.030 1
1034 102 102 ASP HA H 4.395 0.030 1
1035 102 102 ASP HB2 H 2.636 0.030 1
1036 102 102 ASP HB3 H 2.636 0.030 1
1037 102 102 ASP C C 176.471 0.300 1
1038 102 102 ASP CA C 54.492 0.300 1
1039 102 102 ASP CB C 42.288 0.300 1
1040 102 102 ASP N N 126.824 0.300 1
1041 103 103 GLU H H 8.604 0.030 1
1042 103 103 GLU HA H 4.058 0.030 1
1043 103 103 GLU HB2 H 1.974 0.030 2
1044 103 103 GLU HB3 H 1.892 0.030 2
1045 103 103 GLU HG2 H 2.175 0.030 1
1046 103 103 GLU HG3 H 2.175 0.030 1
1047 103 103 GLU C C 176.226 0.300 1
1048 103 103 GLU CA C 57.316 0.300 1
1049 103 103 GLU CB C 30.587 0.300 1
1050 103 103 GLU CG C 36.582 0.300 1
1051 103 103 GLU N N 122.261 0.300 1
1052 104 104 ALA H H 8.541 0.030 1
1053 104 104 ALA HA H 4.211 0.030 1
1054 104 104 ALA HB H 1.314 0.030 1
1055 104 104 ALA C C 177.718 0.300 1
1056 104 104 ALA CA C 52.900 0.300 1
1057 104 104 ALA CB C 19.034 0.300 1
1058 104 104 ALA N N 123.864 0.300 1
1059 105 105 HIS H H 8.120 0.030 1
1060 105 105 HIS HA H 4.617 0.030 1
1061 105 105 HIS HB2 H 3.056 0.030 2
1062 105 105 HIS HB3 H 3.169 0.030 2
1063 105 105 HIS HD2 H 7.051 0.030 1
1064 105 105 HIS HE1 H 8.210 0.030 1
1065 105 105 HIS C C 174.646 0.300 1
1066 105 105 HIS CA C 55.800 0.300 1
1067 105 105 HIS CB C 29.868 0.300 1
1068 105 105 HIS CD2 C 119.876 0.300 1
1069 105 105 HIS CE1 C 137.297 0.300 1
1070 105 105 HIS N N 117.385 0.300 1
1071 106 106 TYR H H 8.090 0.030 1
1072 106 106 TYR HA H 4.543 0.030 1
1073 106 106 TYR HB2 H 2.939 0.030 2
1074 106 106 TYR HB3 H 3.031 0.030 2
1075 106 106 TYR HD1 H 7.102 0.030 1
1076 106 106 TYR HD2 H 7.102 0.030 1
1077 106 106 TYR HE1 H 6.808 0.030 1
1078 106 106 TYR HE2 H 6.808 0.030 1
1079 106 106 TYR C C 175.383 0.300 1
1080 106 106 TYR CA C 58.139 0.300 1
1081 106 106 TYR CB C 38.893 0.300 1
1082 106 106 TYR CD1 C 133.129 0.300 1
1083 106 106 TYR CD2 C 133.129 0.300 1
1084 106 106 TYR CE1 C 118.241 0.300 1
1085 106 106 TYR CE2 C 118.241 0.300 1
1086 106 106 TYR N N 121.307 0.300 1
1087 107 107 ARG H H 8.116 0.030 1
1088 107 107 ARG HA H 4.281 0.030 1
1089 107 107 ARG HB2 H 1.638 0.030 2
1090 107 107 ARG HB3 H 1.758 0.030 2
1091 107 107 ARG HD2 H 3.090 0.030 1
1092 107 107 ARG HD3 H 3.090 0.030 1
1093 107 107 ARG HG2 H 1.495 0.030 1
1094 107 107 ARG HG3 H 1.495 0.030 1
1095 107 107 ARG C C 175.436 0.300 1
1096 107 107 ARG CA C 55.810 0.300 1
1097 107 107 ARG CB C 31.364 0.300 1
1098 107 107 ARG CD C 43.378 0.300 1
1099 107 107 ARG CG C 26.983 0.300 1
1100 107 107 ARG N N 123.003 0.300 1
1101 108 108 ASP H H 8.292 0.030 1
1102 108 108 ASP HA H 4.545 0.030 1
1103 108 108 ASP HB2 H 2.598 0.030 2
1104 108 108 ASP HB3 H 2.713 0.030 2
1105 108 108 ASP C C 176.366 0.300 1
1106 108 108 ASP CA C 54.515 0.300 1
1107 108 108 ASP CB C 41.260 0.300 1
1108 108 108 ASP N N 122.000 0.300 1
1109 109 109 GLU H H 8.442 0.030 1
1110 109 109 GLU HA H 4.260 0.030 1
1111 109 109 GLU HB2 H 2.073 0.030 2
1112 109 109 GLU HB3 H 1.920 0.030 2
1113 109 109 GLU HG2 H 2.256 0.030 1
1114 109 109 GLU HG3 H 2.256 0.030 1
1115 109 109 GLU C C 176.717 0.300 1
1116 109 109 GLU CA C 56.850 0.300 1
1117 109 109 GLU CB C 30.326 0.300 1
1118 109 109 GLU CG C 36.397 0.300 1
1119 109 109 GLU N N 121.241 0.300 1
1120 110 110 GLU H H 8.429 0.030 1
1121 110 110 GLU HA H 4.303 0.030 1
1122 110 110 GLU HB2 H 1.982 0.030 2
1123 110 110 GLU HB3 H 2.086 0.030 2
1124 110 110 GLU HG2 H 2.180 0.030 2
1125 110 110 GLU HG3 H 2.247 0.030 2
1126 110 110 GLU C C 176.664 0.300 1
1127 110 110 GLU CA C 56.823 0.300 1
1128 110 110 GLU CB C 30.264 0.300 1
1129 110 110 GLU CG C 36.394 0.300 1
1130 110 110 GLU N N 121.495 0.300 1
1131 111 111 SER H H 8.286 0.030 1
1132 111 111 SER HA H 4.469 0.030 1
1133 111 111 SER HB2 H 3.879 0.030 1
1134 111 111 SER HB3 H 3.879 0.030 1
1135 111 111 SER C C 174.663 0.300 1
1136 111 111 SER CA C 58.523 0.300 1
1137 111 111 SER CB C 64.015 0.300 1
1138 111 111 SER N N 116.576 0.300 1
1139 112 112 GLY H H 8.214 0.030 1
1140 112 112 GLY HA2 H 4.052 0.030 2
1141 112 112 GLY HA3 H 4.152 0.030 2
1142 112 112 GLY C C 171.773 0.300 1
1143 112 112 GLY CA C 44.708 0.300 1
1144 112 112 GLY N N 110.650 0.300 1
1145 113 113 PRO HA H 4.480 0.030 1
1146 113 113 PRO HB2 H 1.959 0.030 2
1147 113 113 PRO HB3 H 2.277 0.030 2
1148 113 113 PRO HD2 H 3.612 0.030 1
1149 113 113 PRO HD3 H 3.612 0.030 1
1150 113 113 PRO HG2 H 2.004 0.030 1
1151 113 113 PRO HG3 H 2.004 0.030 1
1152 113 113 PRO C C 177.437 0.300 1
1153 113 113 PRO CA C 63.240 0.300 1
1154 113 113 PRO CB C 32.202 0.300 1
1155 113 113 PRO CD C 49.874 0.300 1
1156 113 113 PRO CG C 27.196 0.300 1
1157 114 114 SER H H 8.531 0.030 1
1158 114 114 SER HA H 4.519 0.030 1
1159 114 114 SER HB2 H 3.910 0.030 1
1160 114 114 SER HB3 H 3.910 0.030 1
1161 114 114 SER C C 174.734 0.300 1
1162 114 114 SER CA C 58.359 0.300 1
1163 114 114 SER CB C 63.780 0.300 1
1164 114 114 SER N N 116.488 0.300 1
1165 115 115 SER H H 8.357 0.030 1
1166 115 115 SER HA H 4.514 0.030 1
1167 115 115 SER HB2 H 3.904 0.030 1
1168 115 115 SER HB3 H 3.904 0.030 1
1169 115 115 SER C C 173.944 0.300 1
1170 115 115 SER CA C 58.441 0.300 1
1171 115 115 SER CB C 64.093 0.300 1
1172 115 115 SER N N 117.998 0.300 1
1173 116 116 GLY H H 8.063 0.030 1
1174 116 116 GLY HA2 H 3.774 0.030 1
1175 116 116 GLY HA3 H 3.774 0.030 1
1176 116 116 GLY C C 178.990 0.300 1
1177 116 116 GLY CA C 46.209 0.300 1
1178 116 116 GLY N N 116.876 0.300 1
stop_
save_