data_11207
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the first PDZ domain of scribble homolog protein (hScrib)
;
_BMRB_accession_number 11207
_BMRB_flat_file_name bmr11207.str
_Entry_type original
_Submission_date 2010-07-22
_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 Qin X. . .
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" 564
"13C chemical shifts" 431
"15N chemical shifts" 105
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-07-21 original author .
stop_
_Original_release_date 2011-07-21
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the first PDZ domain of scribble homolog protein (hScrib)'
_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 Qin X. . .
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 'LAP4 protein'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'PDZ domain of scribble homolog protein (hScrib)' $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 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 110
_Mol_residue_sequence
;
GSSGSSGEPARIEEEELTLT
ILRQTGGLGISIAGGKGSTP
YKGDDEGIFISRVSEEGPAA
RAGVRVGDKLLEVNGVALQG
AEHHEAVEALRGAGTAVQMR
VWRESGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 GLU 9 PRO 10 ALA
11 ARG 12 ILE 13 GLU 14 GLU 15 GLU
16 GLU 17 LEU 18 THR 19 LEU 20 THR
21 ILE 22 LEU 23 ARG 24 GLN 25 THR
26 GLY 27 GLY 28 LEU 29 GLY 30 ILE
31 SER 32 ILE 33 ALA 34 GLY 35 GLY
36 LYS 37 GLY 38 SER 39 THR 40 PRO
41 TYR 42 LYS 43 GLY 44 ASP 45 ASP
46 GLU 47 GLY 48 ILE 49 PHE 50 ILE
51 SER 52 ARG 53 VAL 54 SER 55 GLU
56 GLU 57 GLY 58 PRO 59 ALA 60 ALA
61 ARG 62 ALA 63 GLY 64 VAL 65 ARG
66 VAL 67 GLY 68 ASP 69 LYS 70 LEU
71 LEU 72 GLU 73 VAL 74 ASN 75 GLY
76 VAL 77 ALA 78 LEU 79 GLN 80 GLY
81 ALA 82 GLU 83 HIS 84 HIS 85 GLU
86 ALA 87 VAL 88 GLU 89 ALA 90 LEU
91 ARG 92 GLY 93 ALA 94 GLY 95 THR
96 ALA 97 VAL 98 GLN 99 MET 100 ARG
101 VAL 102 TRP 103 ARG 104 GLU 105 SER
106 GLY 107 PRO 108 SER 109 SER 110 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-19
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 1X5Q "Solution Structure Of The First Pdz Domain Of Scribble Homolog Protein (Hscrib)" 100.00 110 100.00 100.00 4.87e-68
PDB 2W4F "Crystal Structure Of The First Pdz Domain Of Human Scrib1" 81.82 97 100.00 100.00 1.10e-54
REF XP_014394174 "PREDICTED: protein scribble homolog [Myotis brandtii]" 60.91 853 97.01 100.00 1.11e-31
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 P040628-05
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.20mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;}
1mM {d-DTT;} 0.02% NaN3
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.20 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
DelaglioF. . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRView
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
JohnsonB.A. . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_Kujira
_Saveframe_category software
_Name Kujira
_Version 0.9296
loop_
_Vendor
_Address
_Electronic_address
KobayashiN. . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 1.0.7
loop_
_Vendor
_Address
_Electronic_address
GuntertP. . .
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_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 900
_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 of scribble homolog protein (hScrib)'
_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 5 5 SER C C 174.761 0.300 1
2 5 5 SER CA C 58.381 0.300 1
3 5 5 SER CB C 64.002 0.300 1
4 6 6 SER HA H 4.491 0.030 1
5 6 6 SER HB2 H 3.916 0.030 1
6 6 6 SER HB3 H 3.916 0.030 1
7 6 6 SER C C 174.953 0.300 1
8 6 6 SER CA C 58.629 0.300 1
9 6 6 SER CB C 63.898 0.300 1
10 7 7 GLY H H 8.378 0.030 1
11 7 7 GLY HA2 H 3.971 0.030 1
12 7 7 GLY HA3 H 3.971 0.030 1
13 7 7 GLY C C 173.781 0.300 1
14 7 7 GLY CA C 45.146 0.300 1
15 7 7 GLY N N 110.705 0.300 1
16 8 8 GLU H H 8.202 0.030 1
17 8 8 GLU HA H 4.595 0.030 1
18 8 8 GLU HB2 H 2.043 0.030 2
19 8 8 GLU HB3 H 1.867 0.030 2
20 8 8 GLU HG2 H 2.276 0.030 1
21 8 8 GLU HG3 H 2.276 0.030 1
22 8 8 GLU C C 174.556 0.300 1
23 8 8 GLU CA C 54.361 0.300 1
24 8 8 GLU CB C 29.747 0.300 1
25 8 8 GLU CG C 35.931 0.300 1
26 8 8 GLU N N 121.865 0.300 1
27 9 9 PRO HA H 4.401 0.030 1
28 9 9 PRO HB2 H 2.295 0.030 2
29 9 9 PRO HB3 H 1.898 0.030 2
30 9 9 PRO HD2 H 3.674 0.030 2
31 9 9 PRO HD3 H 3.818 0.030 2
32 9 9 PRO HG2 H 2.020 0.030 1
33 9 9 PRO HG3 H 2.020 0.030 1
34 9 9 PRO C C 176.543 0.300 1
35 9 9 PRO CA C 63.110 0.300 1
36 9 9 PRO CB C 32.122 0.300 1
37 9 9 PRO CD C 50.677 0.300 1
38 9 9 PRO CG C 27.450 0.300 1
39 10 10 ALA H H 8.389 0.030 1
40 10 10 ALA HA H 4.270 0.030 1
41 10 10 ALA HB H 1.370 0.030 1
42 10 10 ALA C C 177.527 0.300 1
43 10 10 ALA CA C 52.338 0.300 1
44 10 10 ALA CB C 19.316 0.300 1
45 10 10 ALA N N 124.431 0.300 1
46 11 11 ARG H H 8.321 0.030 1
47 11 11 ARG HA H 4.356 0.030 1
48 11 11 ARG HB2 H 1.823 0.030 2
49 11 11 ARG HB3 H 1.735 0.030 2
50 11 11 ARG HD2 H 3.197 0.030 1
51 11 11 ARG HD3 H 3.197 0.030 1
52 11 11 ARG HG2 H 1.608 0.030 2
53 11 11 ARG HG3 H 1.550 0.030 2
54 11 11 ARG C C 175.919 0.300 1
55 11 11 ARG CA C 55.822 0.300 1
56 11 11 ARG CB C 31.097 0.300 1
57 11 11 ARG CD C 43.411 0.300 1
58 11 11 ARG CG C 27.221 0.300 1
59 11 11 ARG N N 121.133 0.300 1
60 12 12 ILE H H 8.298 0.030 1
61 12 12 ILE HA H 4.220 0.030 1
62 12 12 ILE HB H 1.847 0.030 1
63 12 12 ILE HD1 H 0.850 0.030 1
64 12 12 ILE HG12 H 1.469 0.030 2
65 12 12 ILE HG13 H 1.182 0.030 2
66 12 12 ILE HG2 H 0.897 0.030 1
67 12 12 ILE C C 176.185 0.300 1
68 12 12 ILE CA C 60.991 0.300 1
69 12 12 ILE CB C 38.757 0.300 1
70 12 12 ILE CD1 C 12.942 0.300 1
71 12 12 ILE CG1 C 27.338 0.300 1
72 12 12 ILE CG2 C 17.824 0.300 1
73 12 12 ILE N N 123.344 0.300 1
74 13 13 GLU H H 8.603 0.030 1
75 13 13 GLU HA H 4.358 0.030 1
76 13 13 GLU HB2 H 2.053 0.030 2
77 13 13 GLU HB3 H 1.884 0.030 2
78 13 13 GLU HG2 H 2.260 0.030 2
79 13 13 GLU HG3 H 2.225 0.030 2
80 13 13 GLU C C 175.859 0.300 1
81 13 13 GLU CA C 56.481 0.300 1
82 13 13 GLU CB C 30.570 0.300 1
83 13 13 GLU CG C 36.349 0.300 1
84 13 13 GLU N N 125.526 0.300 1
85 14 14 GLU H H 8.274 0.030 1
86 14 14 GLU HA H 4.502 0.030 1
87 14 14 GLU HB2 H 1.932 0.030 2
88 14 14 GLU HB3 H 1.853 0.030 2
89 14 14 GLU HG2 H 2.245 0.030 1
90 14 14 GLU HG3 H 2.245 0.030 1
91 14 14 GLU C C 175.586 0.300 1
92 14 14 GLU CA C 55.950 0.300 1
93 14 14 GLU CB C 31.145 0.300 1
94 14 14 GLU CG C 36.424 0.300 1
95 14 14 GLU N N 120.978 0.300 1
96 15 15 GLU H H 8.294 0.030 1
97 15 15 GLU HA H 4.310 0.030 1
98 15 15 GLU HB2 H 1.734 0.030 2
99 15 15 GLU HB3 H 1.685 0.030 2
100 15 15 GLU HG2 H 2.037 0.030 1
101 15 15 GLU HG3 H 2.037 0.030 1
102 15 15 GLU C C 173.709 0.300 1
103 15 15 GLU CA C 56.007 0.300 1
104 15 15 GLU CB C 32.273 0.300 1
105 15 15 GLU CG C 36.427 0.300 1
106 15 15 GLU N N 119.878 0.300 1
107 16 16 GLU H H 8.003 0.030 1
108 16 16 GLU HA H 5.409 0.030 1
109 16 16 GLU HB2 H 2.032 0.030 2
110 16 16 GLU HB3 H 1.962 0.030 2
111 16 16 GLU HG2 H 2.164 0.030 2
112 16 16 GLU HG3 H 2.374 0.030 2
113 16 16 GLU C C 176.067 0.300 1
114 16 16 GLU CA C 54.767 0.300 1
115 16 16 GLU CB C 31.945 0.300 1
116 16 16 GLU CG C 37.345 0.300 1
117 16 16 GLU N N 120.002 0.300 1
118 17 17 LEU H H 8.891 0.030 1
119 17 17 LEU HA H 4.774 0.030 1
120 17 17 LEU HB2 H 1.437 0.030 1
121 17 17 LEU HB3 H 1.437 0.030 1
122 17 17 LEU HD1 H 0.700 0.030 1
123 17 17 LEU HD2 H 0.777 0.030 1
124 17 17 LEU HG H 1.420 0.030 1
125 17 17 LEU C C 175.504 0.300 1
126 17 17 LEU CA C 54.546 0.300 1
127 17 17 LEU CB C 45.233 0.300 1
128 17 17 LEU CD1 C 25.738 0.300 2
129 17 17 LEU CD2 C 24.932 0.300 2
130 17 17 LEU CG C 27.423 0.300 1
131 17 17 LEU N N 124.528 0.300 1
132 18 18 THR H H 8.499 0.030 1
133 18 18 THR HA H 5.125 0.030 1
134 18 18 THR HB H 3.984 0.030 1
135 18 18 THR HG2 H 1.041 0.030 1
136 18 18 THR C C 173.736 0.300 1
137 18 18 THR CA C 61.718 0.300 1
138 18 18 THR CB C 69.521 0.300 1
139 18 18 THR CG2 C 21.418 0.300 1
140 18 18 THR N N 117.138 0.300 1
141 19 19 LEU H H 9.099 0.030 1
142 19 19 LEU HA H 4.842 0.030 1
143 19 19 LEU HB2 H 1.482 0.030 2
144 19 19 LEU HB3 H 1.340 0.030 2
145 19 19 LEU HD1 H 0.864 0.030 1
146 19 19 LEU HD2 H 0.685 0.030 1
147 19 19 LEU HG H 1.462 0.030 1
148 19 19 LEU C C 175.389 0.300 1
149 19 19 LEU CA C 53.329 0.300 1
150 19 19 LEU CB C 45.037 0.300 1
151 19 19 LEU CD1 C 23.779 0.300 2
152 19 19 LEU CD2 C 26.709 0.300 2
153 19 19 LEU CG C 26.966 0.300 1
154 19 19 LEU N N 127.889 0.300 1
155 20 20 THR H H 8.627 0.030 1
156 20 20 THR HA H 5.046 0.030 1
157 20 20 THR HB H 3.864 0.030 1
158 20 20 THR HG2 H 0.951 0.030 1
159 20 20 THR C C 173.132 0.300 1
160 20 20 THR CA C 61.933 0.300 1
161 20 20 THR CB C 70.311 0.300 1
162 20 20 THR CG2 C 21.291 0.300 1
163 20 20 THR N N 117.950 0.300 1
164 21 21 ILE H H 9.209 0.030 1
165 21 21 ILE HA H 4.083 0.030 1
166 21 21 ILE HB H 1.676 0.030 1
167 21 21 ILE HD1 H 0.832 0.030 1
168 21 21 ILE HG12 H 1.493 0.030 2
169 21 21 ILE HG13 H 0.823 0.030 2
170 21 21 ILE HG2 H 0.721 0.030 1
171 21 21 ILE C C 174.489 0.300 1
172 21 21 ILE CA C 60.423 0.300 1
173 21 21 ILE CB C 40.308 0.300 1
174 21 21 ILE CD1 C 15.091 0.300 1
175 21 21 ILE CG1 C 28.344 0.300 1
176 21 21 ILE CG2 C 19.897 0.300 1
177 21 21 ILE N N 127.008 0.300 1
178 22 22 LEU H H 8.412 0.030 1
179 22 22 LEU HA H 4.961 0.030 1
180 22 22 LEU HB2 H 1.700 0.030 2
181 22 22 LEU HB3 H 1.476 0.030 2
182 22 22 LEU HD1 H 0.913 0.030 1
183 22 22 LEU HD2 H 0.833 0.030 1
184 22 22 LEU HG H 1.613 0.030 1
185 22 22 LEU C C 175.828 0.300 1
186 22 22 LEU CA C 53.588 0.300 1
187 22 22 LEU CB C 41.310 0.300 1
188 22 22 LEU CD1 C 24.871 0.300 2
189 22 22 LEU CD2 C 23.444 0.300 2
190 22 22 LEU CG C 27.134 0.300 1
191 22 22 LEU N N 128.570 0.300 1
192 23 23 ARG H H 8.600 0.030 1
193 23 23 ARG HA H 3.999 0.030 1
194 23 23 ARG HB2 H 1.687 0.030 1
195 23 23 ARG HB3 H 1.687 0.030 1
196 23 23 ARG HD2 H 3.196 0.030 2
197 23 23 ARG HD3 H 3.046 0.030 2
198 23 23 ARG HG2 H 1.533 0.030 2
199 23 23 ARG HG3 H 1.439 0.030 2
200 23 23 ARG C C 175.524 0.300 1
201 23 23 ARG CA C 57.045 0.300 1
202 23 23 ARG CB C 31.589 0.300 1
203 23 23 ARG CD C 43.337 0.300 1
204 23 23 ARG CG C 27.221 0.300 1
205 23 23 ARG N N 123.828 0.300 1
206 24 24 GLN H H 7.971 0.030 1
207 24 24 GLN HA H 4.648 0.030 1
208 24 24 GLN HB2 H 2.296 0.030 2
209 24 24 GLN HB3 H 1.993 0.030 2
210 24 24 GLN HE21 H 7.498 0.030 2
211 24 24 GLN HE22 H 6.944 0.030 2
212 24 24 GLN HG2 H 2.414 0.030 1
213 24 24 GLN HG3 H 2.414 0.030 1
214 24 24 GLN C C 176.283 0.300 1
215 24 24 GLN CA C 55.219 0.300 1
216 24 24 GLN CB C 30.926 0.300 1
217 24 24 GLN CG C 33.838 0.300 1
218 24 24 GLN N N 122.182 0.300 1
219 24 24 GLN NE2 N 112.320 0.300 1
220 25 25 THR H H 8.075 0.030 1
221 25 25 THR HA H 4.158 0.030 1
222 25 25 THR HB H 4.232 0.030 1
223 25 25 THR HG2 H 1.241 0.030 1
224 25 25 THR CA C 63.546 0.300 1
225 25 25 THR CB C 69.104 0.300 1
226 25 25 THR CG2 C 21.804 0.300 1
227 25 25 THR N N 116.919 0.300 1
228 26 26 GLY HA2 H 4.115 0.030 2
229 26 26 GLY HA3 H 3.973 0.030 2
230 26 26 GLY C C 174.533 0.300 1
231 26 26 GLY CA C 45.271 0.300 1
232 27 27 GLY H H 8.212 0.030 1
233 27 27 GLY HA2 H 4.315 0.030 2
234 27 27 GLY HA3 H 4.127 0.030 2
235 27 27 GLY C C 174.116 0.300 1
236 27 27 GLY CA C 44.665 0.300 1
237 27 27 GLY N N 108.286 0.300 1
238 28 28 LEU HA H 4.205 0.030 1
239 28 28 LEU HB2 H 1.825 0.030 2
240 28 28 LEU HB3 H 1.404 0.030 2
241 28 28 LEU HD1 H 0.892 0.030 1
242 28 28 LEU HD2 H 0.726 0.030 1
243 28 28 LEU HG H 1.782 0.030 1
244 28 28 LEU C C 177.132 0.300 1
245 28 28 LEU CA C 55.466 0.300 1
246 28 28 LEU CB C 43.862 0.300 1
247 28 28 LEU CD1 C 26.730 0.300 2
248 28 28 LEU CD2 C 23.071 0.300 2
249 28 28 LEU CG C 27.020 0.300 1
250 29 29 GLY H H 8.732 0.030 1
251 29 29 GLY HA2 H 4.076 0.030 2
252 29 29 GLY HA3 H 3.984 0.030 2
253 29 29 GLY C C 175.723 0.300 1
254 29 29 GLY CA C 46.867 0.300 1
255 29 29 GLY N N 106.076 0.300 1
256 30 30 ILE H H 7.288 0.030 1
257 30 30 ILE HA H 5.317 0.030 1
258 30 30 ILE HB H 1.828 0.030 1
259 30 30 ILE HD1 H 0.603 0.030 1
260 30 30 ILE HG12 H 1.275 0.030 2
261 30 30 ILE HG13 H 0.799 0.030 2
262 30 30 ILE HG2 H 0.821 0.030 1
263 30 30 ILE C C 175.653 0.300 1
264 30 30 ILE CA C 59.075 0.300 1
265 30 30 ILE CB C 43.180 0.300 1
266 30 30 ILE CD1 C 13.807 0.300 1
267 30 30 ILE CG1 C 25.292 0.300 1
268 30 30 ILE CG2 C 19.537 0.300 1
269 30 30 ILE N N 111.226 0.300 1
270 31 31 SER H H 8.210 0.030 1
271 31 31 SER HA H 4.864 0.030 1
272 31 31 SER HB2 H 3.923 0.030 2
273 31 31 SER HB3 H 3.535 0.030 2
274 31 31 SER C C 172.762 0.300 1
275 31 31 SER CA C 57.732 0.300 1
276 31 31 SER CB C 65.248 0.300 1
277 31 31 SER N N 116.099 0.300 1
278 32 32 ILE H H 8.575 0.030 1
279 32 32 ILE HA H 5.468 0.030 1
280 32 32 ILE HB H 1.626 0.030 1
281 32 32 ILE HD1 H 0.325 0.030 1
282 32 32 ILE HG12 H 1.331 0.030 2
283 32 32 ILE HG13 H 0.855 0.030 2
284 32 32 ILE HG2 H 0.593 0.030 1
285 32 32 ILE C C 175.038 0.300 1
286 32 32 ILE CA C 58.908 0.300 1
287 32 32 ILE CB C 42.530 0.300 1
288 32 32 ILE CD1 C 14.709 0.300 1
289 32 32 ILE CG1 C 25.252 0.300 1
290 32 32 ILE CG2 C 18.708 0.300 1
291 32 32 ILE N N 115.795 0.300 1
292 33 33 ALA H H 9.290 0.030 1
293 33 33 ALA HA H 4.923 0.030 1
294 33 33 ALA HB H 1.505 0.030 1
295 33 33 ALA C C 175.714 0.300 1
296 33 33 ALA CA C 51.015 0.300 1
297 33 33 ALA CB C 24.240 0.300 1
298 33 33 ALA N N 124.091 0.300 1
299 34 34 GLY H H 8.768 0.030 1
300 34 34 GLY HA2 H 5.328 0.030 2
301 34 34 GLY HA3 H 4.000 0.030 2
302 34 34 GLY C C 174.352 0.300 1
303 34 34 GLY CA C 44.298 0.300 1
304 34 34 GLY N N 107.535 0.300 1
305 35 35 GLY H H 6.851 0.030 1
306 35 35 GLY HA2 H 4.566 0.030 2
307 35 35 GLY HA3 H 3.684 0.030 2
308 35 35 GLY C C 174.722 0.300 1
309 35 35 GLY CA C 43.981 0.300 1
310 35 35 GLY N N 106.621 0.300 1
311 36 36 LYS H H 8.277 0.030 1
312 36 36 LYS HA H 4.164 0.030 1
313 36 36 LYS HB2 H 1.526 0.030 1
314 36 36 LYS HB3 H 1.526 0.030 1
315 36 36 LYS HD2 H 1.744 0.030 2
316 36 36 LYS HD3 H 1.674 0.030 2
317 36 36 LYS HE2 H 3.013 0.030 1
318 36 36 LYS HE3 H 3.013 0.030 1
319 36 36 LYS HG2 H 1.331 0.030 2
320 36 36 LYS HG3 H 1.482 0.030 2
321 36 36 LYS C C 178.697 0.300 1
322 36 36 LYS CA C 58.315 0.300 1
323 36 36 LYS CB C 32.203 0.300 1
324 36 36 LYS CD C 29.294 0.300 1
325 36 36 LYS CE C 42.029 0.300 1
326 36 36 LYS CG C 24.279 0.300 1
327 36 36 LYS N N 123.232 0.300 1
328 37 37 GLY H H 9.391 0.030 1
329 37 37 GLY HA2 H 4.364 0.030 2
330 37 37 GLY HA3 H 3.841 0.030 2
331 37 37 GLY C C 174.386 0.300 1
332 37 37 GLY CA C 45.778 0.300 1
333 37 37 GLY N N 117.296 0.300 1
334 38 38 SER H H 7.971 0.030 1
335 38 38 SER HA H 4.782 0.030 1
336 38 38 SER HB2 H 3.804 0.030 2
337 38 38 SER HB3 H 3.662 0.030 2
338 38 38 SER C C 173.933 0.300 1
339 38 38 SER CA C 57.353 0.300 1
340 38 38 SER CB C 64.693 0.300 1
341 38 38 SER N N 116.157 0.300 1
342 39 39 THR H H 8.442 0.030 1
343 39 39 THR HA H 4.384 0.030 1
344 39 39 THR HB H 3.985 0.030 1
345 39 39 THR HG2 H 1.285 0.030 1
346 39 39 THR C C 172.738 0.300 1
347 39 39 THR CA C 61.633 0.300 1
348 39 39 THR CB C 69.843 0.300 1
349 39 39 THR CG2 C 21.543 0.300 1
350 39 39 THR N N 121.207 0.300 1
351 40 40 PRO HA H 4.685 0.030 1
352 40 40 PRO HB2 H 2.318 0.030 2
353 40 40 PRO HB3 H 1.659 0.030 2
354 40 40 PRO HD2 H 3.676 0.030 2
355 40 40 PRO HD3 H 4.112 0.030 2
356 40 40 PRO HG2 H 1.912 0.030 2
357 40 40 PRO HG3 H 2.085 0.030 2
358 40 40 PRO C C 178.123 0.300 1
359 40 40 PRO CA C 63.086 0.300 1
360 40 40 PRO CB C 32.776 0.300 1
361 40 40 PRO CD C 51.584 0.300 1
362 40 40 PRO CG C 27.920 0.300 1
363 41 41 TYR H H 10.013 0.030 1
364 41 41 TYR HA H 4.112 0.030 1
365 41 41 TYR HB2 H 2.859 0.030 2
366 41 41 TYR HB3 H 2.415 0.030 2
367 41 41 TYR HD1 H 6.281 0.030 1
368 41 41 TYR HD2 H 6.281 0.030 1
369 41 41 TYR HE1 H 6.555 0.030 1
370 41 41 TYR HE2 H 6.555 0.030 1
371 41 41 TYR C C 175.117 0.300 1
372 41 41 TYR CA C 59.844 0.300 1
373 41 41 TYR CB C 39.691 0.300 1
374 41 41 TYR CD1 C 133.205 0.300 1
375 41 41 TYR CD2 C 133.205 0.300 1
376 41 41 TYR CE1 C 116.829 0.300 1
377 41 41 TYR CE2 C 116.829 0.300 1
378 41 41 TYR N N 124.942 0.300 1
379 42 42 LYS H H 6.744 0.030 1
380 42 42 LYS HA H 4.180 0.030 1
381 42 42 LYS HB2 H 1.356 0.030 2
382 42 42 LYS HB3 H 1.250 0.030 2
383 42 42 LYS HD2 H 1.580 0.030 1
384 42 42 LYS HD3 H 1.580 0.030 1
385 42 42 LYS HE2 H 2.929 0.030 1
386 42 42 LYS HE3 H 2.929 0.030 1
387 42 42 LYS HG2 H 1.131 0.030 2
388 42 42 LYS HG3 H 1.011 0.030 2
389 42 42 LYS C C 174.647 0.300 1
390 42 42 LYS CA C 54.374 0.300 1
391 42 42 LYS CB C 35.251 0.300 1
392 42 42 LYS CD C 29.701 0.300 1
393 42 42 LYS CE C 42.044 0.300 1
394 42 42 LYS CG C 23.774 0.300 1
395 42 42 LYS N N 113.274 0.300 1
396 43 43 GLY H H 8.516 0.030 1
397 43 43 GLY HA2 H 3.818 0.030 2
398 43 43 GLY HA3 H 3.684 0.030 2
399 43 43 GLY C C 173.400 0.300 1
400 43 43 GLY CA C 47.119 0.300 1
401 43 43 GLY N N 110.912 0.300 1
402 44 44 ASP H H 8.435 0.030 1
403 44 44 ASP HA H 4.715 0.030 1
404 44 44 ASP HB2 H 2.732 0.030 2
405 44 44 ASP HB3 H 2.704 0.030 2
406 44 44 ASP C C 175.904 0.300 1
407 44 44 ASP CA C 52.819 0.300 1
408 44 44 ASP CB C 41.003 0.300 1
409 44 44 ASP N N 123.357 0.300 1
410 45 45 ASP H H 8.070 0.030 1
411 45 45 ASP HA H 4.580 0.030 1
412 45 45 ASP HB2 H 3.313 0.030 2
413 45 45 ASP HB3 H 2.639 0.030 2
414 45 45 ASP C C 176.427 0.300 1
415 45 45 ASP CA C 54.694 0.300 1
416 45 45 ASP CB C 43.013 0.300 1
417 45 45 ASP N N 122.459 0.300 1
418 46 46 GLU H H 8.722 0.030 1
419 46 46 GLU HA H 4.775 0.030 1
420 46 46 GLU HB2 H 2.327 0.030 2
421 46 46 GLU HB3 H 1.918 0.030 2
422 46 46 GLU HG2 H 2.355 0.030 1
423 46 46 GLU HG3 H 2.355 0.030 1
424 46 46 GLU C C 177.579 0.300 1
425 46 46 GLU CA C 56.544 0.300 1
426 46 46 GLU CB C 30.000 0.300 1
427 46 46 GLU CG C 37.052 0.300 1
428 46 46 GLU N N 125.586 0.300 1
429 47 47 GLY H H 9.574 0.030 1
430 47 47 GLY HA2 H 4.170 0.030 2
431 47 47 GLY HA3 H 3.396 0.030 2
432 47 47 GLY C C 171.423 0.300 1
433 47 47 GLY CA C 44.925 0.300 1
434 47 47 GLY N N 108.943 0.300 1
435 48 48 ILE H H 8.577 0.030 1
436 48 48 ILE HA H 4.655 0.030 1
437 48 48 ILE HB H 1.881 0.030 1
438 48 48 ILE HD1 H 0.592 0.030 1
439 48 48 ILE HG12 H 1.388 0.030 2
440 48 48 ILE HG13 H 1.300 0.030 2
441 48 48 ILE HG2 H 0.643 0.030 1
442 48 48 ILE C C 174.618 0.300 1
443 48 48 ILE CA C 58.897 0.300 1
444 48 48 ILE CB C 36.567 0.300 1
445 48 48 ILE CD1 C 11.420 0.300 1
446 48 48 ILE CG1 C 27.200 0.300 1
447 48 48 ILE CG2 C 19.201 0.300 1
448 48 48 ILE N N 120.649 0.300 1
449 49 49 PHE H H 8.954 0.030 1
450 49 49 PHE HA H 5.240 0.030 1
451 49 49 PHE HB2 H 1.960 0.030 2
452 49 49 PHE HB3 H 1.765 0.030 2
453 49 49 PHE HD1 H 7.170 0.030 1
454 49 49 PHE HD2 H 7.170 0.030 1
455 49 49 PHE HE1 H 7.367 0.030 1
456 49 49 PHE HE2 H 7.367 0.030 1
457 49 49 PHE HZ H 7.374 0.030 1
458 49 49 PHE C C 175.493 0.300 1
459 49 49 PHE CA C 55.280 0.300 1
460 49 49 PHE CB C 43.974 0.300 1
461 49 49 PHE CD1 C 133.200 0.300 1
462 49 49 PHE CD2 C 133.200 0.300 1
463 49 49 PHE CE1 C 130.806 0.300 1
464 49 49 PHE CE2 C 130.806 0.300 1
465 49 49 PHE CZ C 129.595 0.300 1
466 49 49 PHE N N 124.108 0.300 1
467 50 50 ILE H H 8.847 0.030 1
468 50 50 ILE HA H 4.327 0.030 1
469 50 50 ILE HB H 2.251 0.030 1
470 50 50 ILE HD1 H 0.635 0.030 1
471 50 50 ILE HG12 H 1.411 0.030 2
472 50 50 ILE HG13 H 1.303 0.030 2
473 50 50 ILE HG2 H 0.736 0.030 1
474 50 50 ILE C C 175.291 0.300 1
475 50 50 ILE CA C 59.510 0.300 1
476 50 50 ILE CB C 35.558 0.300 1
477 50 50 ILE CD1 C 11.342 0.300 1
478 50 50 ILE CG1 C 26.561 0.300 1
479 50 50 ILE CG2 C 19.143 0.300 1
480 50 50 ILE N N 119.840 0.300 1
481 51 51 SER H H 8.867 0.030 1
482 51 51 SER HA H 4.540 0.030 1
483 51 51 SER HB2 H 4.075 0.030 2
484 51 51 SER HB3 H 3.312 0.030 2
485 51 51 SER C C 175.317 0.300 1
486 51 51 SER CA C 57.952 0.300 1
487 51 51 SER CB C 64.991 0.300 1
488 51 51 SER N N 123.821 0.300 1
489 52 52 ARG H H 7.483 0.030 1
490 52 52 ARG HA H 4.381 0.030 1
491 52 52 ARG HB2 H 1.765 0.030 2
492 52 52 ARG HB3 H 1.581 0.030 2
493 52 52 ARG HD2 H 3.196 0.030 2
494 52 52 ARG HD3 H 3.109 0.030 2
495 52 52 ARG HG2 H 1.627 0.030 2
496 52 52 ARG HG3 H 1.435 0.030 2
497 52 52 ARG C C 173.601 0.300 1
498 52 52 ARG CA C 56.648 0.300 1
499 52 52 ARG CB C 34.222 0.300 1
500 52 52 ARG CD C 43.221 0.300 1
501 52 52 ARG CG C 27.348 0.300 1
502 52 52 ARG N N 122.736 0.300 1
503 53 53 VAL H H 8.526 0.030 1
504 53 53 VAL HA H 4.566 0.030 1
505 53 53 VAL HB H 1.852 0.030 1
506 53 53 VAL HG1 H 0.773 0.030 1
507 53 53 VAL HG2 H 0.659 0.030 1
508 53 53 VAL C C 175.541 0.300 1
509 53 53 VAL CA C 60.997 0.300 1
510 53 53 VAL CB C 34.986 0.300 1
511 53 53 VAL CG1 C 21.560 0.300 2
512 53 53 VAL CG2 C 22.445 0.300 2
513 53 53 VAL N N 123.148 0.300 1
514 54 54 SER H H 8.453 0.030 1
515 54 54 SER HA H 4.375 0.030 1
516 54 54 SER HB2 H 3.936 0.030 2
517 54 54 SER HB3 H 3.811 0.030 2
518 54 54 SER C C 176.330 0.300 1
519 54 54 SER CA C 58.711 0.300 1
520 54 54 SER CB C 62.968 0.300 1
521 54 54 SER N N 122.647 0.300 1
522 55 55 GLU H H 9.488 0.030 1
523 55 55 GLU HA H 3.946 0.030 1
524 55 55 GLU HB2 H 2.064 0.030 1
525 55 55 GLU HB3 H 2.064 0.030 1
526 55 55 GLU HG2 H 2.392 0.030 1
527 55 55 GLU HG3 H 2.392 0.030 1
528 55 55 GLU C C 176.935 0.300 1
529 55 55 GLU CA C 59.511 0.300 1
530 55 55 GLU CB C 29.494 0.300 1
531 55 55 GLU CG C 36.564 0.300 1
532 55 55 GLU N N 129.598 0.300 1
533 56 56 GLU H H 8.823 0.030 1
534 56 56 GLU HA H 4.268 0.030 1
535 56 56 GLU HB2 H 2.246 0.030 2
536 56 56 GLU HB3 H 2.026 0.030 2
537 56 56 GLU HG2 H 2.277 0.030 2
538 56 56 GLU HG3 H 2.181 0.030 2
539 56 56 GLU C C 176.204 0.300 1
540 56 56 GLU CA C 56.544 0.300 1
541 56 56 GLU CB C 28.833 0.300 1
542 56 56 GLU CG C 36.343 0.300 1
543 56 56 GLU N N 116.357 0.300 1
544 57 57 GLY H H 7.553 0.030 1
545 57 57 GLY HA2 H 4.472 0.030 2
546 57 57 GLY HA3 H 3.928 0.030 2
547 57 57 GLY C C 172.404 0.300 1
548 57 57 GLY CA C 45.384 0.300 1
549 57 57 GLY N N 107.078 0.300 1
550 58 58 PRO HA H 4.240 0.030 1
551 58 58 PRO HB2 H 2.508 0.030 2
552 58 58 PRO HB3 H 1.950 0.030 2
553 58 58 PRO HD2 H 3.377 0.030 2
554 58 58 PRO HD3 H 3.692 0.030 2
555 58 58 PRO HG2 H 2.087 0.030 2
556 58 58 PRO HG3 H 2.250 0.030 2
557 58 58 PRO C C 179.531 0.300 1
558 58 58 PRO CA C 65.084 0.300 1
559 58 58 PRO CB C 32.540 0.300 1
560 58 58 PRO CD C 49.610 0.300 1
561 58 58 PRO CG C 27.969 0.300 1
562 59 59 ALA H H 7.677 0.030 1
563 59 59 ALA HA H 4.043 0.030 1
564 59 59 ALA HB H 1.349 0.030 1
565 59 59 ALA C C 178.752 0.300 1
566 59 59 ALA CA C 55.215 0.300 1
567 59 59 ALA CB C 18.950 0.300 1
568 59 59 ALA N N 122.210 0.300 1
569 60 60 ALA H H 8.337 0.030 1
570 60 60 ALA HA H 4.035 0.030 1
571 60 60 ALA HB H 1.519 0.030 1
572 60 60 ALA C C 182.314 0.300 1
573 60 60 ALA CA C 55.189 0.300 1
574 60 60 ALA CB C 18.178 0.300 1
575 60 60 ALA N N 123.432 0.300 1
576 61 61 ARG H H 7.754 0.030 1
577 61 61 ARG HA H 4.065 0.030 1
578 61 61 ARG HB2 H 1.907 0.030 1
579 61 61 ARG HB3 H 1.907 0.030 1
580 61 61 ARG HD2 H 3.264 0.030 2
581 61 61 ARG HD3 H 3.172 0.030 2
582 61 61 ARG HG2 H 1.672 0.030 2
583 61 61 ARG HG3 H 1.766 0.030 2
584 61 61 ARG C C 177.578 0.300 1
585 61 61 ARG CA C 58.834 0.300 1
586 61 61 ARG CB C 30.205 0.300 1
587 61 61 ARG CD C 43.429 0.300 1
588 61 61 ARG CG C 28.054 0.300 1
589 61 61 ARG N N 117.463 0.300 1
590 62 62 ALA H H 7.476 0.030 1
591 62 62 ALA HA H 4.416 0.030 1
592 62 62 ALA HB H 1.556 0.030 1
593 62 62 ALA C C 177.319 0.300 1
594 62 62 ALA CA C 52.648 0.300 1
595 62 62 ALA CB C 20.965 0.300 1
596 62 62 ALA N N 119.349 0.300 1
597 63 63 GLY H H 7.568 0.030 1
598 63 63 GLY HA2 H 4.338 0.030 2
599 63 63 GLY HA3 H 3.718 0.030 2
600 63 63 GLY C C 174.766 0.300 1
601 63 63 GLY CA C 45.124 0.300 1
602 63 63 GLY N N 102.964 0.300 1
603 64 64 VAL H H 7.721 0.030 1
604 64 64 VAL HA H 3.416 0.030 1
605 64 64 VAL HB H 1.564 0.030 1
606 64 64 VAL HG1 H 0.900 0.030 1
607 64 64 VAL HG2 H 0.903 0.030 1
608 64 64 VAL C C 173.811 0.300 1
609 64 64 VAL CA C 63.597 0.300 1
610 64 64 VAL CB C 31.847 0.300 1
611 64 64 VAL CG1 C 23.421 0.300 2
612 64 64 VAL CG2 C 23.055 0.300 2
613 64 64 VAL N N 121.840 0.300 1
614 65 65 ARG H H 8.556 0.030 1
615 65 65 ARG HA H 4.674 0.030 1
616 65 65 ARG HB2 H 1.765 0.030 2
617 65 65 ARG HB3 H 1.655 0.030 2
618 65 65 ARG HD2 H 3.085 0.030 2
619 65 65 ARG HD3 H 2.926 0.030 2
620 65 65 ARG HG2 H 1.569 0.030 1
621 65 65 ARG HG3 H 1.569 0.030 1
622 65 65 ARG C C 175.425 0.300 1
623 65 65 ARG CA C 54.368 0.300 1
624 65 65 ARG CB C 34.461 0.300 1
625 65 65 ARG CD C 44.143 0.300 1
626 65 65 ARG CG C 27.094 0.300 1
627 65 65 ARG N N 126.015 0.300 1
628 66 66 VAL H H 8.394 0.030 1
629 66 66 VAL HA H 3.341 0.030 1
630 66 66 VAL HB H 1.874 0.030 1
631 66 66 VAL HG1 H 0.996 0.030 1
632 66 66 VAL HG2 H 0.967 0.030 1
633 66 66 VAL C C 178.101 0.300 1
634 66 66 VAL CA C 65.095 0.300 1
635 66 66 VAL CB C 31.424 0.300 1
636 66 66 VAL CG1 C 23.983 0.300 2
637 66 66 VAL CG2 C 21.565 0.300 2
638 66 66 VAL N N 120.753 0.300 1
639 67 67 GLY H H 9.633 0.030 1
640 67 67 GLY HA2 H 4.642 0.030 2
641 67 67 GLY HA3 H 3.610 0.030 2
642 67 67 GLY C C 174.513 0.300 1
643 67 67 GLY CA C 45.066 0.300 1
644 67 67 GLY N N 117.593 0.300 1
645 68 68 ASP H H 7.931 0.030 1
646 68 68 ASP HA H 4.656 0.030 1
647 68 68 ASP HB2 H 2.701 0.030 2
648 68 68 ASP HB3 H 2.261 0.030 2
649 68 68 ASP C C 174.752 0.300 1
650 68 68 ASP CA C 56.013 0.300 1
651 68 68 ASP CB C 40.783 0.300 1
652 68 68 ASP N N 123.802 0.300 1
653 69 69 LYS H H 8.934 0.030 1
654 69 69 LYS HA H 4.244 0.030 1
655 69 69 LYS HB2 H 2.097 0.030 2
656 69 69 LYS HB3 H 1.628 0.030 2
657 69 69 LYS HD2 H 1.432 0.030 2
658 69 69 LYS HD3 H 1.400 0.030 2
659 69 69 LYS HE2 H 2.625 0.030 1
660 69 69 LYS HE3 H 2.625 0.030 1
661 69 69 LYS HG2 H 0.748 0.030 2
662 69 69 LYS HG3 H 0.200 0.030 2
663 69 69 LYS C C 175.950 0.300 1
664 69 69 LYS CA C 55.077 0.300 1
665 69 69 LYS CB C 35.321 0.300 1
666 69 69 LYS CD C 30.153 0.300 1
667 69 69 LYS CE C 41.971 0.300 1
668 69 69 LYS CG C 24.871 0.300 1
669 69 69 LYS N N 124.449 0.300 1
670 70 70 LEU H H 8.983 0.030 1
671 70 70 LEU HA H 4.247 0.030 1
672 70 70 LEU HB2 H 1.377 0.030 2
673 70 70 LEU HB3 H 1.101 0.030 2
674 70 70 LEU HD1 H 0.737 0.030 1
675 70 70 LEU HD2 H 0.592 0.030 1
676 70 70 LEU HG H 1.316 0.030 1
677 70 70 LEU C C 174.363 0.300 1
678 70 70 LEU CA C 55.197 0.300 1
679 70 70 LEU CB C 42.740 0.300 1
680 70 70 LEU CD1 C 24.573 0.300 2
681 70 70 LEU CD2 C 25.285 0.300 2
682 70 70 LEU CG C 27.344 0.300 1
683 70 70 LEU N N 128.308 0.300 1
684 71 71 LEU H H 8.848 0.030 1
685 71 71 LEU HA H 4.376 0.030 1
686 71 71 LEU HB2 H 1.449 0.030 1
687 71 71 LEU HB3 H 1.449 0.030 1
688 71 71 LEU HD1 H 0.816 0.030 1
689 71 71 LEU HD2 H 0.643 0.030 1
690 71 71 LEU HG H 1.652 0.030 1
691 71 71 LEU C C 178.774 0.300 1
692 71 71 LEU CA C 55.533 0.300 1
693 71 71 LEU CB C 42.831 0.300 1
694 71 71 LEU CD1 C 25.831 0.300 2
695 71 71 LEU CD2 C 21.804 0.300 2
696 71 71 LEU CG C 26.776 0.300 1
697 71 71 LEU N N 123.143 0.300 1
698 72 72 GLU H H 7.702 0.030 1
699 72 72 GLU HA H 5.117 0.030 1
700 72 72 GLU HB2 H 1.945 0.030 2
701 72 72 GLU HB3 H 1.683 0.030 2
702 72 72 GLU HG2 H 1.872 0.030 1
703 72 72 GLU HG3 H 1.872 0.030 1
704 72 72 GLU C C 174.853 0.300 1
705 72 72 GLU CA C 55.319 0.300 1
706 72 72 GLU CB C 35.140 0.300 1
707 72 72 GLU CG C 36.451 0.300 1
708 72 72 GLU N N 118.119 0.300 1
709 73 73 VAL H H 8.176 0.030 1
710 73 73 VAL HA H 4.730 0.030 1
711 73 73 VAL HB H 1.743 0.030 1
712 73 73 VAL HG1 H 0.722 0.030 1
713 73 73 VAL HG2 H 0.788 0.030 1
714 73 73 VAL C C 175.192 0.300 1
715 73 73 VAL CA C 60.856 0.300 1
716 73 73 VAL CB C 35.140 0.300 1
717 73 73 VAL CG1 C 21.179 0.300 2
718 73 73 VAL CG2 C 22.975 0.300 2
719 73 73 VAL N N 121.681 0.300 1
720 74 74 ASN H H 9.687 0.030 1
721 74 74 ASN HA H 4.493 0.030 1
722 74 74 ASN HB2 H 3.262 0.030 2
723 74 74 ASN HB3 H 2.754 0.030 2
724 74 74 ASN HD21 H 6.937 0.030 2
725 74 74 ASN HD22 H 7.979 0.030 2
726 74 74 ASN C C 175.022 0.300 1
727 74 74 ASN CA C 54.242 0.300 1
728 74 74 ASN CB C 37.108 0.300 1
729 74 74 ASN N N 128.177 0.300 1
730 74 74 ASN ND2 N 111.950 0.300 1
731 75 75 GLY H H 8.689 0.030 1
732 75 75 GLY HA2 H 4.059 0.030 2
733 75 75 GLY HA3 H 3.681 0.030 2
734 75 75 GLY C C 173.851 0.300 1
735 75 75 GLY CA C 45.525 0.300 1
736 75 75 GLY N N 103.267 0.300 1
737 76 76 VAL H H 8.109 0.030 1
738 76 76 VAL HA H 3.998 0.030 1
739 76 76 VAL HB H 2.213 0.030 1
740 76 76 VAL HG1 H 0.937 0.030 1
741 76 76 VAL HG2 H 0.834 0.030 1
742 76 76 VAL C C 175.089 0.300 1
743 76 76 VAL CA C 62.172 0.300 1
744 76 76 VAL CB C 32.085 0.300 1
745 76 76 VAL CG1 C 21.088 0.300 2
746 76 76 VAL CG2 C 20.825 0.300 2
747 76 76 VAL N N 123.496 0.300 1
748 77 77 ALA H H 8.597 0.030 1
749 77 77 ALA HA H 4.418 0.030 1
750 77 77 ALA HB H 1.533 0.030 1
751 77 77 ALA C C 178.527 0.300 1
752 77 77 ALA CA C 52.799 0.300 1
753 77 77 ALA CB C 19.201 0.300 1
754 77 77 ALA N N 130.848 0.300 1
755 78 78 LEU H H 7.975 0.030 1
756 78 78 LEU HA H 4.483 0.030 1
757 78 78 LEU HB2 H 1.565 0.030 2
758 78 78 LEU HB3 H 1.213 0.030 2
759 78 78 LEU HD1 H 0.617 0.030 1
760 78 78 LEU HD2 H 0.526 0.030 1
761 78 78 LEU HG H 1.561 0.030 1
762 78 78 LEU C C 177.334 0.300 1
763 78 78 LEU CA C 53.725 0.300 1
764 78 78 LEU CB C 42.529 0.300 1
765 78 78 LEU CD1 C 26.880 0.300 2
766 78 78 LEU CD2 C 22.571 0.300 2
767 78 78 LEU CG C 26.327 0.300 1
768 78 78 LEU N N 120.083 0.300 1
769 79 79 GLN H H 7.859 0.030 1
770 79 79 GLN HA H 4.227 0.030 1
771 79 79 GLN HB2 H 2.100 0.030 2
772 79 79 GLN HB3 H 1.994 0.030 2
773 79 79 GLN HE21 H 7.554 0.030 2
774 79 79 GLN HE22 H 6.856 0.030 2
775 79 79 GLN HG2 H 2.338 0.030 1
776 79 79 GLN HG3 H 2.338 0.030 1
777 79 79 GLN C C 176.957 0.300 1
778 79 79 GLN CA C 58.143 0.300 1
779 79 79 GLN CB C 27.907 0.300 1
780 79 79 GLN CG C 33.906 0.300 1
781 79 79 GLN N N 122.675 0.300 1
782 79 79 GLN NE2 N 112.003 0.300 1
783 80 80 GLY H H 8.946 0.030 1
784 80 80 GLY HA2 H 4.035 0.030 2
785 80 80 GLY HA3 H 3.818 0.030 2
786 80 80 GLY C C 173.595 0.300 1
787 80 80 GLY CA C 45.629 0.300 1
788 80 80 GLY N N 116.109 0.300 1
789 81 81 ALA H H 7.381 0.030 1
790 81 81 ALA HA H 4.342 0.030 1
791 81 81 ALA HB H 1.332 0.030 1
792 81 81 ALA C C 179.560 0.300 1
793 81 81 ALA CA C 52.150 0.300 1
794 81 81 ALA CB C 20.168 0.300 1
795 81 81 ALA N N 120.471 0.300 1
796 82 82 GLU H H 9.087 0.030 1
797 82 82 GLU HA H 4.566 0.030 1
798 82 82 GLU HB2 H 2.455 0.030 2
799 82 82 GLU HB3 H 1.705 0.030 2
800 82 82 GLU HG2 H 2.495 0.030 1
801 82 82 GLU HG3 H 2.495 0.030 1
802 82 82 GLU C C 177.620 0.300 1
803 82 82 GLU CA C 56.346 0.300 1
804 82 82 GLU CB C 31.944 0.300 1
805 82 82 GLU CG C 37.598 0.300 1
806 82 82 GLU N N 120.582 0.300 1
807 83 83 HIS H H 9.742 0.030 1
808 83 83 HIS HA H 3.798 0.030 1
809 83 83 HIS HB2 H 3.646 0.030 2
810 83 83 HIS HB3 H 3.233 0.030 2
811 83 83 HIS HD2 H 6.807 0.030 1
812 83 83 HIS HE1 H 7.635 0.030 1
813 83 83 HIS C C 177.959 0.300 1
814 83 83 HIS CA C 62.322 0.300 1
815 83 83 HIS CB C 29.527 0.300 1
816 83 83 HIS CD2 C 123.260 0.300 1
817 83 83 HIS CE1 C 137.483 0.300 1
818 83 83 HIS N N 123.803 0.300 1
819 84 84 HIS H H 8.712 0.030 1
820 84 84 HIS HA H 4.297 0.030 1
821 84 84 HIS HB2 H 3.337 0.030 2
822 84 84 HIS HB3 H 3.242 0.030 2
823 84 84 HIS HD2 H 7.211 0.030 1
824 84 84 HIS HE1 H 7.948 0.030 1
825 84 84 HIS C C 177.343 0.300 1
826 84 84 HIS CA C 59.365 0.300 1
827 84 84 HIS CB C 29.396 0.300 1
828 84 84 HIS CD2 C 119.419 0.300 1
829 84 84 HIS CE1 C 138.762 0.300 1
830 84 84 HIS N N 112.919 0.300 1
831 85 85 GLU H H 6.755 0.030 1
832 85 85 GLU HA H 3.929 0.030 1
833 85 85 GLU HB2 H 2.221 0.030 2
834 85 85 GLU HB3 H 1.881 0.030 2
835 85 85 GLU HG2 H 1.666 0.030 2
836 85 85 GLU HG3 H 2.020 0.030 2
837 85 85 GLU C C 179.617 0.300 1
838 85 85 GLU CA C 58.507 0.300 1
839 85 85 GLU CB C 29.787 0.300 1
840 85 85 GLU CG C 37.422 0.300 1
841 85 85 GLU N N 119.718 0.300 1
842 86 86 ALA H H 7.351 0.030 1
843 86 86 ALA HA H 3.922 0.030 1
844 86 86 ALA HB H 1.216 0.030 1
845 86 86 ALA C C 177.994 0.300 1
846 86 86 ALA CA C 54.734 0.300 1
847 86 86 ALA CB C 19.334 0.300 1
848 86 86 ALA N N 122.434 0.300 1
849 87 87 VAL H H 7.688 0.030 1
850 87 87 VAL HA H 3.314 0.030 1
851 87 87 VAL HB H 2.113 0.030 1
852 87 87 VAL HG1 H 0.899 0.030 1
853 87 87 VAL HG2 H 0.939 0.030 1
854 87 87 VAL C C 179.324 0.300 1
855 87 87 VAL CA C 67.133 0.300 1
856 87 87 VAL CB C 31.921 0.300 1
857 87 87 VAL CG1 C 23.356 0.300 2
858 87 87 VAL CG2 C 21.155 0.300 2
859 87 87 VAL N N 117.783 0.300 1
860 88 88 GLU H H 7.970 0.030 1
861 88 88 GLU HA H 4.058 0.030 1
862 88 88 GLU HB2 H 2.072 0.030 2
863 88 88 GLU HB3 H 2.007 0.030 2
864 88 88 GLU HG2 H 2.332 0.030 1
865 88 88 GLU HG3 H 2.332 0.030 1
866 88 88 GLU C C 179.006 0.300 1
867 88 88 GLU CA C 58.859 0.300 1
868 88 88 GLU CB C 29.155 0.300 1
869 88 88 GLU CG C 35.878 0.300 1
870 88 88 GLU N N 118.624 0.300 1
871 89 89 ALA H H 7.810 0.030 1
872 89 89 ALA HA H 4.132 0.030 1
873 89 89 ALA HB H 1.408 0.030 1
874 89 89 ALA C C 180.163 0.300 1
875 89 89 ALA CA C 54.754 0.300 1
876 89 89 ALA CB C 17.472 0.300 1
877 89 89 ALA N N 122.677 0.300 1
878 90 90 LEU H H 7.782 0.030 1
879 90 90 LEU HA H 3.849 0.030 1
880 90 90 LEU HB2 H 1.915 0.030 2
881 90 90 LEU HB3 H 1.384 0.030 2
882 90 90 LEU HD1 H 0.665 0.030 1
883 90 90 LEU HD2 H 0.645 0.030 1
884 90 90 LEU HG H 1.643 0.030 1
885 90 90 LEU C C 178.600 0.300 1
886 90 90 LEU CA C 57.581 0.300 1
887 90 90 LEU CB C 41.807 0.300 1
888 90 90 LEU CD1 C 25.567 0.300 2
889 90 90 LEU CD2 C 23.785 0.300 2
890 90 90 LEU CG C 27.134 0.300 1
891 90 90 LEU N N 116.438 0.300 1
892 91 91 ARG H H 8.068 0.030 1
893 91 91 ARG HA H 4.132 0.030 1
894 91 91 ARG HB2 H 1.913 0.030 1
895 91 91 ARG HB3 H 1.913 0.030 1
896 91 91 ARG HD2 H 3.216 0.030 2
897 91 91 ARG HD3 H 3.157 0.030 2
898 91 91 ARG HG2 H 1.762 0.030 2
899 91 91 ARG HG3 H 1.652 0.030 2
900 91 91 ARG C C 178.269 0.300 1
901 91 91 ARG CA C 58.719 0.300 1
902 91 91 ARG CB C 30.543 0.300 1
903 91 91 ARG CD C 43.543 0.300 1
904 91 91 ARG CG C 27.149 0.300 1
905 91 91 ARG N N 120.179 0.300 1
906 92 92 GLY H H 7.941 0.030 1
907 92 92 GLY HA2 H 4.145 0.030 2
908 92 92 GLY HA3 H 3.828 0.030 2
909 92 92 GLY C C 174.242 0.300 1
910 92 92 GLY CA C 45.297 0.300 1
911 92 92 GLY N N 105.021 0.300 1
912 93 93 ALA H H 7.158 0.030 1
913 93 93 ALA HA H 4.253 0.030 1
914 93 93 ALA HB H 1.483 0.030 1
915 93 93 ALA C C 176.976 0.300 1
916 93 93 ALA CA C 52.938 0.300 1
917 93 93 ALA CB C 20.431 0.300 1
918 93 93 ALA N N 120.966 0.300 1
919 94 94 GLY H H 8.252 0.030 1
920 94 94 GLY HA2 H 4.158 0.030 2
921 94 94 GLY HA3 H 3.899 0.030 2
922 94 94 GLY C C 174.733 0.300 1
923 94 94 GLY CA C 44.715 0.300 1
924 94 94 GLY N N 106.585 0.300 1
925 95 95 THR H H 8.341 0.030 1
926 95 95 THR HA H 4.094 0.030 1
927 95 95 THR HB H 4.274 0.030 1
928 95 95 THR HG2 H 1.270 0.030 1
929 95 95 THR C C 173.611 0.300 1
930 95 95 THR CA C 64.350 0.300 1
931 95 95 THR CB C 69.298 0.300 1
932 95 95 THR CG2 C 22.268 0.300 1
933 95 95 THR N N 113.693 0.300 1
934 96 96 ALA H H 7.831 0.030 1
935 96 96 ALA HA H 5.006 0.030 1
936 96 96 ALA HB H 1.184 0.030 1
937 96 96 ALA C C 175.862 0.300 1
938 96 96 ALA CA C 50.951 0.300 1
939 96 96 ALA CB C 19.825 0.300 1
940 96 96 ALA N N 123.834 0.300 1
941 97 97 VAL H H 9.146 0.030 1
942 97 97 VAL HA H 4.179 0.030 1
943 97 97 VAL HB H 2.072 0.030 1
944 97 97 VAL HG1 H 0.735 0.030 1
945 97 97 VAL HG2 H 0.837 0.030 1
946 97 97 VAL C C 174.292 0.300 1
947 97 97 VAL CA C 61.870 0.300 1
948 97 97 VAL CB C 33.181 0.300 1
949 97 97 VAL CG1 C 21.620 0.300 2
950 97 97 VAL CG2 C 21.809 0.300 2
951 97 97 VAL N N 124.956 0.300 1
952 98 98 GLN H H 9.040 0.030 1
953 98 98 GLN HA H 5.054 0.030 1
954 98 98 GLN HB2 H 2.047 0.030 2
955 98 98 GLN HB3 H 1.969 0.030 2
956 98 98 GLN HE21 H 7.346 0.030 2
957 98 98 GLN HE22 H 6.820 0.030 2
958 98 98 GLN HG2 H 2.248 0.030 2
959 98 98 GLN HG3 H 2.113 0.030 2
960 98 98 GLN C C 175.252 0.300 1
961 98 98 GLN CA C 54.928 0.300 1
962 98 98 GLN CB C 30.231 0.300 1
963 98 98 GLN CG C 34.485 0.300 1
964 98 98 GLN N N 128.366 0.300 1
965 98 98 GLN NE2 N 111.679 0.300 1
966 99 99 MET H H 9.389 0.030 1
967 99 99 MET HA H 5.223 0.030 1
968 99 99 MET HB2 H 1.853 0.030 2
969 99 99 MET HB3 H 1.802 0.030 2
970 99 99 MET HE H 1.708 0.030 1
971 99 99 MET HG2 H 2.323 0.030 2
972 99 99 MET HG3 H 2.242 0.030 2
973 99 99 MET C C 173.661 0.300 1
974 99 99 MET CA C 54.231 0.300 1
975 99 99 MET CB C 36.457 0.300 1
976 99 99 MET CE C 17.208 0.300 1
977 99 99 MET CG C 31.792 0.300 1
978 99 99 MET N N 125.174 0.300 1
979 100 100 ARG H H 8.479 0.030 1
980 100 100 ARG HA H 5.506 0.030 1
981 100 100 ARG HB2 H 1.740 0.030 2
982 100 100 ARG HB3 H 1.622 0.030 2
983 100 100 ARG HD2 H 3.144 0.030 2
984 100 100 ARG HD3 H 3.051 0.030 2
985 100 100 ARG HE H 7.277 0.030 1
986 100 100 ARG HG2 H 1.556 0.030 2
987 100 100 ARG HG3 H 1.452 0.030 2
988 100 100 ARG C C 175.775 0.300 1
989 100 100 ARG CA C 54.799 0.300 1
990 100 100 ARG CB C 33.103 0.300 1
991 100 100 ARG CD C 43.482 0.300 1
992 100 100 ARG CG C 27.709 0.300 1
993 100 100 ARG N N 124.595 0.300 1
994 100 100 ARG NE N 83.545 0.300 1
995 101 101 VAL H H 9.308 0.030 1
996 101 101 VAL HA H 5.677 0.030 1
997 101 101 VAL HB H 2.018 0.030 1
998 101 101 VAL HG1 H 0.786 0.030 1
999 101 101 VAL HG2 H 0.767 0.030 1
1000 101 101 VAL C C 173.651 0.300 1
1001 101 101 VAL CA C 58.086 0.300 1
1002 101 101 VAL CB C 36.106 0.300 1
1003 101 101 VAL CG1 C 21.097 0.300 2
1004 101 101 VAL CG2 C 18.539 0.300 2
1005 101 101 VAL N N 119.486 0.300 1
1006 102 102 TRP H H 9.221 0.030 1
1007 102 102 TRP HA H 5.356 0.030 1
1008 102 102 TRP HB2 H 3.185 0.030 2
1009 102 102 TRP HB3 H 3.123 0.030 2
1010 102 102 TRP HD1 H 7.208 0.030 1
1011 102 102 TRP HE1 H 10.595 0.030 1
1012 102 102 TRP HE3 H 7.494 0.030 1
1013 102 102 TRP HH2 H 7.224 0.030 1
1014 102 102 TRP HZ2 H 7.459 0.030 1
1015 102 102 TRP HZ3 H 7.215 0.030 1
1016 102 102 TRP C C 174.714 0.300 1
1017 102 102 TRP CA C 56.100 0.300 1
1018 102 102 TRP CB C 32.607 0.300 1
1019 102 102 TRP CD1 C 126.788 0.300 1
1020 102 102 TRP CE3 C 120.238 0.300 1
1021 102 102 TRP CH2 C 124.733 0.300 1
1022 102 102 TRP CZ2 C 114.803 0.300 1
1023 102 102 TRP CZ3 C 121.767 0.300 1
1024 102 102 TRP N N 121.556 0.300 1
1025 102 102 TRP NE1 N 131.044 0.300 1
1026 103 103 ARG H H 8.688 0.030 1
1027 103 103 ARG HA H 4.506 0.030 1
1028 103 103 ARG HB2 H 1.661 0.030 2
1029 103 103 ARG HB3 H 1.484 0.030 2
1030 103 103 ARG HD2 H 3.050 0.030 2
1031 103 103 ARG HD3 H 2.903 0.030 2
1032 103 103 ARG HE H 9.227 0.030 1
1033 103 103 ARG HG2 H 1.387 0.030 1
1034 103 103 ARG HG3 H 1.387 0.030 1
1035 103 103 ARG C C 173.478 0.300 1
1036 103 103 ARG CA C 54.659 0.300 1
1037 103 103 ARG CB C 33.883 0.300 1
1038 103 103 ARG CD C 43.442 0.300 1
1039 103 103 ARG CG C 25.778 0.300 1
1040 103 103 ARG N N 130.422 0.300 1
1041 103 103 ARG NE N 84.725 0.300 1
1042 104 104 GLU H H 8.273 0.030 1
1043 104 104 GLU HA H 4.176 0.030 1
1044 104 104 GLU HB2 H 1.923 0.030 1
1045 104 104 GLU HB3 H 1.923 0.030 1
1046 104 104 GLU HG2 H 2.276 0.030 2
1047 104 104 GLU HG3 H 2.240 0.030 2
1048 104 104 GLU C C 176.406 0.300 1
1049 104 104 GLU CA C 55.872 0.300 1
1050 104 104 GLU CB C 31.017 0.300 1
1051 104 104 GLU CG C 36.452 0.300 1
1052 104 104 GLU N N 124.550 0.300 1
1053 105 105 SER H H 8.572 0.030 1
1054 105 105 SER HA H 4.439 0.030 1
1055 105 105 SER HB2 H 3.799 0.030 1
1056 105 105 SER HB3 H 3.799 0.030 1
1057 105 105 SER C C 174.507 0.300 1
1058 105 105 SER CA C 58.358 0.300 1
1059 105 105 SER CB C 64.210 0.300 1
1060 105 105 SER N N 118.835 0.300 1
1061 106 106 GLY H H 8.310 0.030 1
1062 106 106 GLY HA2 H 4.220 0.030 2
1063 106 106 GLY HA3 H 4.058 0.030 2
1064 106 106 GLY C C 171.723 0.300 1
1065 106 106 GLY CA C 44.758 0.300 1
1066 106 106 GLY N N 110.613 0.300 1
1067 107 107 PRO HA H 4.491 0.030 1
1068 107 107 PRO HB2 H 2.293 0.030 2
1069 107 107 PRO HB3 H 1.976 0.030 2
1070 107 107 PRO HD2 H 3.621 0.030 1
1071 107 107 PRO HD3 H 3.621 0.030 1
1072 107 107 PRO HG2 H 2.015 0.030 1
1073 107 107 PRO HG3 H 2.015 0.030 1
1074 107 107 PRO C C 177.408 0.300 1
1075 107 107 PRO CA C 63.209 0.300 1
1076 107 107 PRO CB C 32.227 0.300 1
1077 107 107 PRO CD C 49.830 0.300 1
1078 107 107 PRO CG C 27.221 0.300 1
1079 108 108 SER H H 8.546 0.030 1
1080 108 108 SER HA H 4.510 0.030 1
1081 108 108 SER HB2 H 3.912 0.030 1
1082 108 108 SER HB3 H 3.912 0.030 1
1083 108 108 SER C C 174.768 0.300 1
1084 108 108 SER CA C 58.374 0.300 1
1085 108 108 SER CB C 63.936 0.300 1
1086 108 108 SER N N 116.461 0.300 1
1087 109 109 SER H H 8.351 0.030 1
1088 109 109 SER HA H 4.498 0.030 1
1089 109 109 SER HB2 H 3.916 0.030 1
1090 109 109 SER HB3 H 3.916 0.030 1
1091 109 109 SER C C 174.761 0.300 1
1092 109 109 SER CA C 58.381 0.300 1
1093 109 109 SER CB C 64.002 0.300 1
1094 109 109 SER N N 117.965 0.300 1
1095 110 110 GLY H H 8.057 0.030 1
1096 110 110 GLY HA2 H 3.813 0.030 2
1097 110 110 GLY HA3 H 3.755 0.030 2
1098 110 110 GLY C C 173.844 0.300 1
1099 110 110 GLY CA C 46.246 0.300 1
1100 110 110 GLY N N 116.834 0.300 1
stop_
save_