data_10076
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
The eighth FN3 domain of human sidekick-2
;
_BMRB_accession_number 10076
_BMRB_flat_file_name bmr10076.str
_Entry_type original
_Submission_date 2006-12-25
_Accession_date 2006-12-27
_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 Nagashima T. . .
2 Hayashi F. . .
3 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" 706
"13C chemical shifts" 546
"15N chemical shifts" 123
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2008-08-14 original author .
stop_
_Original_release_date 2008-08-14
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'The eighth FN3 domain of human sidekick-2'
_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 Nagashima T. . .
2 Hayashi F. . .
3 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 'sidekick 2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'sidekick 2' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state 'protein monomer'
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'FN3 domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 130
_Mol_residue_sequence
;
GSSGSSGRIGDGSPSHPPIL
ERTLDDVPGPPMGILFPEVR
TTSVRLIWQPPAAPNGIILA
YQITHRLNTTTANTATVEVL
APSARQYTATGLKPESVYLF
RITAQTRKGWGEAAEALVVT
TEKRSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 ARG 9 ILE 10 GLY
11 ASP 12 GLY 13 SER 14 PRO 15 SER
16 HIS 17 PRO 18 PRO 19 ILE 20 LEU
21 GLU 22 ARG 23 THR 24 LEU 25 ASP
26 ASP 27 VAL 28 PRO 29 GLY 30 PRO
31 PRO 32 MET 33 GLY 34 ILE 35 LEU
36 PHE 37 PRO 38 GLU 39 VAL 40 ARG
41 THR 42 THR 43 SER 44 VAL 45 ARG
46 LEU 47 ILE 48 TRP 49 GLN 50 PRO
51 PRO 52 ALA 53 ALA 54 PRO 55 ASN
56 GLY 57 ILE 58 ILE 59 LEU 60 ALA
61 TYR 62 GLN 63 ILE 64 THR 65 HIS
66 ARG 67 LEU 68 ASN 69 THR 70 THR
71 THR 72 ALA 73 ASN 74 THR 75 ALA
76 THR 77 VAL 78 GLU 79 VAL 80 LEU
81 ALA 82 PRO 83 SER 84 ALA 85 ARG
86 GLN 87 TYR 88 THR 89 ALA 90 THR
91 GLY 92 LEU 93 LYS 94 PRO 95 GLU
96 SER 97 VAL 98 TYR 99 LEU 100 PHE
101 ARG 102 ILE 103 THR 104 ALA 105 GLN
106 THR 107 ARG 108 LYS 109 GLY 110 TRP
111 GLY 112 GLU 113 ALA 114 ALA 115 GLU
116 ALA 117 LEU 118 VAL 119 VAL 120 THR
121 THR 122 GLU 123 LYS 124 ARG 125 SER
126 GLY 127 PRO 128 SER 129 SER 130 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-10-27
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 1WFO "The Eighth Fn3 Domain Of Human Sidekick-2" 100.00 130 100.00 100.00 3.04e-86
REF XP_009189425 "PREDICTED: protein sidekick-2 [Papio anubis]" 92.31 1508 97.50 98.33 1.56e-69
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' . . . . plasmid P040223-52
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.00 mM '[U-13C; U-15N]'
d-TRIS 20 mM .
NaCl 200 mM .
d-DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20020425
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_software_3
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B.A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_4
_Saveframe_category software
_Name Kujira
_Version 0.8992
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 1.0.7
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_13C-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_3D_15N-separated_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 220 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 293 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_
_Experiment_label
'3D 13C-separated NOESY'
'3D 15N-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'sidekick 2'
_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 1 1 GLY HA2 H 3.893 0.030 1
2 1 1 GLY HA3 H 3.893 0.030 1
3 1 1 GLY CA C 43.703 0.300 1
4 6 6 SER HA H 4.478 0.030 1
5 6 6 SER HB2 H 3.930 0.030 1
6 6 6 SER HB3 H 3.930 0.030 1
7 6 6 SER C C 175.028 0.300 1
8 6 6 SER CA C 58.785 0.300 1
9 6 6 SER CB C 63.841 0.300 1
10 7 7 GLY H H 8.416 0.030 1
11 7 7 GLY HA2 H 3.966 0.030 1
12 7 7 GLY HA3 H 3.966 0.030 1
13 7 7 GLY C C 173.882 0.300 1
14 7 7 GLY CA C 45.371 0.300 1
15 7 7 GLY N N 110.726 0.300 1
16 8 8 ARG H H 8.184 0.030 1
17 8 8 ARG HA H 4.406 0.030 1
18 8 8 ARG HB2 H 1.833 0.030 2
19 8 8 ARG HB3 H 1.754 0.030 2
20 8 8 ARG HG2 H 1.605 0.030 1
21 8 8 ARG HG3 H 1.605 0.030 1
22 8 8 ARG HD2 H 3.193 0.030 1
23 8 8 ARG HD3 H 3.193 0.030 1
24 8 8 ARG C C 176.391 0.300 1
25 8 8 ARG CA C 55.942 0.300 1
26 8 8 ARG CB C 31.068 0.300 1
27 8 8 ARG CG C 26.930 0.300 1
28 8 8 ARG CD C 43.454 0.300 1
29 8 8 ARG N N 120.851 0.300 1
30 9 9 ILE H H 8.352 0.030 1
31 9 9 ILE HA H 4.156 0.030 1
32 9 9 ILE HB H 1.862 0.030 1
33 9 9 ILE HG12 H 1.504 0.030 2
34 9 9 ILE HG13 H 1.198 0.030 2
35 9 9 ILE HG2 H 0.920 0.030 1
36 9 9 ILE HD1 H 0.866 0.030 1
37 9 9 ILE C C 176.957 0.300 1
38 9 9 ILE CA C 61.482 0.300 1
39 9 9 ILE CB C 38.611 0.300 1
40 9 9 ILE CG1 C 27.435 0.300 1
41 9 9 ILE CG2 C 17.407 0.300 1
42 9 9 ILE CD1 C 12.803 0.300 1
43 9 9 ILE N N 123.087 0.300 1
44 10 10 GLY H H 8.556 0.030 1
45 10 10 GLY HA2 H 4.023 0.030 2
46 10 10 GLY HA3 H 3.941 0.030 2
47 10 10 GLY C C 174.040 0.300 1
48 10 10 GLY CA C 45.356 0.300 1
49 10 10 GLY N N 113.337 0.300 1
50 11 11 ASP H H 8.244 0.030 1
51 11 11 ASP HA H 4.617 0.030 1
52 11 11 ASP HB2 H 2.733 0.030 2
53 11 11 ASP HB3 H 2.701 0.030 2
54 11 11 ASP C C 177.003 0.300 1
55 11 11 ASP CA C 54.355 0.300 1
56 11 11 ASP CB C 41.290 0.300 1
57 11 11 ASP N N 120.638 0.300 1
58 12 12 GLY H H 8.491 0.030 1
59 12 12 GLY HA2 H 4.017 0.030 2
60 12 12 GLY HA3 H 3.934 0.030 2
61 12 12 GLY C C 174.161 0.300 1
62 12 12 GLY CA C 45.310 0.300 1
63 12 12 GLY N N 109.475 0.300 1
64 13 13 SER H H 8.267 0.030 1
65 13 13 SER HA H 4.725 0.030 1
66 13 13 SER HB2 H 3.856 0.030 1
67 13 13 SER HB3 H 3.856 0.030 1
68 13 13 SER C C 172.841 0.300 1
69 13 13 SER CA C 56.789 0.300 1
70 13 13 SER CB C 63.219 0.300 1
71 13 13 SER N N 117.266 0.300 1
72 14 14 PRO HA H 4.472 0.030 1
73 14 14 PRO HB2 H 2.290 0.030 2
74 14 14 PRO HB3 H 1.876 0.030 2
75 14 14 PRO HG2 H 2.036 0.030 1
76 14 14 PRO HG3 H 2.036 0.030 1
77 14 14 PRO HD2 H 3.837 0.030 2
78 14 14 PRO HD3 H 3.716 0.030 2
79 14 14 PRO C C 176.930 0.300 1
80 14 14 PRO CA C 63.387 0.300 1
81 14 14 PRO CB C 32.253 0.300 1
82 14 14 PRO CG C 27.372 0.300 1
83 14 14 PRO CD C 50.770 0.300 1
84 15 15 SER H H 8.364 0.030 1
85 15 15 SER HA H 4.360 0.030 1
86 15 15 SER HB2 H 3.790 0.030 1
87 15 15 SER HB3 H 3.790 0.030 1
88 15 15 SER C C 173.807 0.300 1
89 15 15 SER CA C 58.406 0.300 1
90 15 15 SER CB C 63.752 0.300 1
91 15 15 SER N N 115.982 0.300 1
92 16 16 HIS H H 8.183 0.030 1
93 16 16 HIS HA H 4.955 0.030 1
94 16 16 HIS HB2 H 3.157 0.030 2
95 16 16 HIS HB3 H 3.032 0.030 2
96 16 16 HIS HD2 H 7.128 0.030 1
97 16 16 HIS C C 172.564 0.300 1
98 16 16 HIS CA C 53.745 0.300 1
99 16 16 HIS CB C 29.826 0.300 1
100 16 16 HIS CD2 C 120.969 0.300 1
101 16 16 HIS N N 121.376 0.300 1
102 17 17 PRO HA H 4.728 0.030 1
103 17 17 PRO HB2 H 2.378 0.030 2
104 17 17 PRO HB3 H 1.924 0.030 2
105 17 17 PRO HG2 H 2.037 0.030 1
106 17 17 PRO HG3 H 2.037 0.030 1
107 17 17 PRO HD2 H 3.791 0.030 2
108 17 17 PRO HD3 H 3.582 0.030 2
109 17 17 PRO CA C 61.685 0.300 1
110 17 17 PRO CB C 30.930 0.300 1
111 17 17 PRO CG C 27.460 0.300 1
112 17 17 PRO CD C 50.633 0.300 1
113 18 18 PRO HA H 4.476 0.030 1
114 18 18 PRO HB2 H 2.291 0.030 2
115 18 18 PRO HB3 H 1.870 0.030 2
116 18 18 PRO HG2 H 2.039 0.030 1
117 18 18 PRO HG3 H 2.039 0.030 1
118 18 18 PRO HD2 H 3.817 0.030 2
119 18 18 PRO HD3 H 3.665 0.030 2
120 18 18 PRO C C 176.633 0.300 1
121 18 18 PRO CA C 62.989 0.300 1
122 18 18 PRO CB C 32.087 0.300 1
123 18 18 PRO CG C 27.372 0.300 1
124 18 18 PRO CD C 50.517 0.300 1
125 19 19 ILE H H 8.294 0.030 1
126 19 19 ILE HA H 4.115 0.030 1
127 19 19 ILE HB H 1.831 0.030 1
128 19 19 ILE HG12 H 1.514 0.030 2
129 19 19 ILE HG13 H 1.193 0.030 2
130 19 19 ILE HG2 H 0.894 0.030 1
131 19 19 ILE HD1 H 0.865 0.030 1
132 19 19 ILE C C 176.198 0.300 1
133 19 19 ILE CA C 61.154 0.300 1
134 19 19 ILE CB C 38.693 0.300 1
135 19 19 ILE CG1 C 27.372 0.300 1
136 19 19 ILE CG2 C 17.596 0.300 1
137 19 19 ILE CD1 C 12.890 0.300 1
138 19 19 ILE N N 121.469 0.300 1
139 20 20 LEU H H 8.364 0.030 1
140 20 20 LEU HA H 4.394 0.030 1
141 20 20 LEU HB2 H 1.623 0.030 2
142 20 20 LEU HB3 H 1.569 0.030 2
143 20 20 LEU HG H 1.605 0.030 1
144 20 20 LEU HD1 H 0.925 0.030 1
145 20 20 LEU HD2 H 0.865 0.030 1
146 20 20 LEU C C 177.010 0.300 1
147 20 20 LEU CA C 54.971 0.300 1
148 20 20 LEU CB C 42.534 0.300 1
149 20 20 LEU CG C 27.119 0.300 1
150 20 20 LEU CD1 C 24.849 0.300 2
151 20 20 LEU CD2 C 23.524 0.300 2
152 20 20 LEU N N 126.988 0.300 1
153 21 21 GLU H H 8.419 0.030 1
154 21 21 GLU HA H 4.270 0.030 1
155 21 21 GLU HB2 H 2.027 0.030 2
156 21 21 GLU HB3 H 1.928 0.030 2
157 21 21 GLU HG2 H 2.262 0.030 2
158 21 21 GLU HG3 H 2.230 0.030 2
159 21 21 GLU C C 176.158 0.300 1
160 21 21 GLU CA C 56.597 0.300 1
161 21 21 GLU CB C 30.440 0.300 1
162 21 21 GLU CG C 36.390 0.300 1
163 21 21 GLU N N 122.636 0.300 1
164 22 22 ARG H H 8.387 0.030 1
165 22 22 ARG HA H 4.411 0.030 1
166 22 22 ARG HB2 H 1.851 0.030 2
167 22 22 ARG HB3 H 1.772 0.030 2
168 22 22 ARG HG2 H 1.606 0.030 1
169 22 22 ARG HG3 H 1.606 0.030 1
170 22 22 ARG HD2 H 3.196 0.030 1
171 22 22 ARG HD3 H 3.196 0.030 1
172 22 22 ARG C C 176.257 0.300 1
173 22 22 ARG CA C 56.034 0.300 1
174 22 22 ARG CB C 31.040 0.300 1
175 22 22 ARG CG C 26.930 0.300 1
176 22 22 ARG CD C 43.454 0.300 1
177 22 22 ARG N N 122.444 0.300 1
178 23 23 THR H H 8.337 0.030 1
179 23 23 THR HA H 4.330 0.030 1
180 23 23 THR HB H 4.200 0.030 1
181 23 23 THR HG2 H 1.202 0.030 1
182 23 23 THR C C 174.382 0.300 1
183 23 23 THR CA C 61.862 0.300 1
184 23 23 THR CB C 69.940 0.300 1
185 23 23 THR CG2 C 21.695 0.300 1
186 23 23 THR N N 116.292 0.300 1
187 24 24 LEU H H 8.294 0.030 1
188 24 24 LEU HA H 4.337 0.030 1
189 24 24 LEU HB2 H 1.624 0.030 2
190 24 24 LEU HB3 H 1.511 0.030 2
191 24 24 LEU HG H 1.614 0.030 1
192 24 24 LEU HD1 H 0.924 0.030 1
193 24 24 LEU HD2 H 0.844 0.030 1
194 24 24 LEU C C 176.428 0.300 1
195 24 24 LEU CA C 55.051 0.300 1
196 24 24 LEU CB C 42.450 0.300 1
197 24 24 LEU CG C 27.073 0.300 1
198 24 24 LEU CD1 C 25.038 0.300 2
199 24 24 LEU CD2 C 23.272 0.300 2
200 24 24 LEU N N 124.281 0.300 1
201 25 25 ASP H H 8.223 0.030 1
202 25 25 ASP HA H 4.689 0.030 1
203 25 25 ASP HB2 H 2.729 0.030 2
204 25 25 ASP HB3 H 2.512 0.030 2
205 25 25 ASP C C 174.579 0.300 1
206 25 25 ASP CA C 53.740 0.300 1
207 25 25 ASP CB C 41.333 0.300 1
208 25 25 ASP N N 121.372 0.300 1
209 26 26 ASP H H 8.778 0.030 1
210 26 26 ASP HA H 4.739 0.030 1
211 26 26 ASP HB2 H 2.709 0.030 2
212 26 26 ASP HB3 H 2.493 0.030 2
213 26 26 ASP C C 175.827 0.300 1
214 26 26 ASP CA C 53.058 0.300 1
215 26 26 ASP CB C 43.338 0.300 1
216 26 26 ASP N N 121.763 0.300 1
217 27 27 VAL H H 8.797 0.030 1
218 27 27 VAL HA H 4.292 0.030 1
219 27 27 VAL HB H 1.953 0.030 1
220 27 27 VAL HG1 H 0.705 0.030 1
221 27 27 VAL HG2 H 0.897 0.030 1
222 27 27 VAL C C 174.170 0.300 1
223 27 27 VAL CA C 59.722 0.300 1
224 27 27 VAL CB C 30.545 0.300 1
225 27 27 VAL CG1 C 22.033 0.300 2
226 27 27 VAL CG2 C 18.138 0.300 2
227 27 27 VAL N N 115.357 0.300 1
228 28 28 PRO HA H 4.546 0.030 1
229 28 28 PRO HB2 H 2.516 0.030 2
230 28 28 PRO HB3 H 2.214 0.030 2
231 28 28 PRO HG2 H 2.006 0.030 2
232 28 28 PRO HG3 H 1.768 0.030 2
233 28 28 PRO HD2 H 3.924 0.030 2
234 28 28 PRO HD3 H 3.478 0.030 2
235 28 28 PRO C C 177.920 0.300 1
236 28 28 PRO CA C 63.685 0.300 1
237 28 28 PRO CB C 32.464 0.300 1
238 28 28 PRO CG C 27.587 0.300 1
239 28 28 PRO CD C 49.610 0.300 1
240 29 29 GLY H H 8.140 0.030 1
241 29 29 GLY HA2 H 4.324 0.030 2
242 29 29 GLY HA3 H 4.155 0.030 2
243 29 29 GLY CA C 44.836 0.300 1
244 29 29 GLY N N 104.962 0.300 1
245 30 30 PRO HA H 5.160 0.030 1
246 30 30 PRO HB2 H 2.044 0.030 2
247 30 30 PRO HB3 H 1.847 0.030 2
248 30 30 PRO HG2 H 2.096 0.030 2
249 30 30 PRO HG3 H 2.032 0.030 2
250 30 30 PRO HD2 H 3.670 0.030 2
251 30 30 PRO HD3 H 3.558 0.030 2
252 30 30 PRO CA C 61.096 0.300 1
253 30 30 PRO CB C 30.889 0.300 1
254 30 30 PRO CG C 27.129 0.300 1
255 30 30 PRO CD C 48.985 0.300 1
256 31 31 PRO HA H 4.217 0.030 1
257 31 31 PRO HB2 H 2.553 0.030 2
258 31 31 PRO HB3 H 1.572 0.030 2
259 31 31 PRO HG2 H 1.822 0.030 2
260 31 31 PRO HG3 H 1.735 0.030 2
261 31 31 PRO HD2 H 4.439 0.030 2
262 31 31 PRO HD3 H 3.626 0.030 2
263 31 31 PRO C C 173.088 0.300 1
264 31 31 PRO CA C 63.337 0.300 1
265 31 31 PRO CB C 31.866 0.300 1
266 31 31 PRO CG C 28.885 0.300 1
267 31 31 PRO CD C 50.580 0.300 1
268 32 32 MET H H 7.502 0.030 1
269 32 32 MET HA H 4.871 0.030 1
270 32 32 MET HB2 H 2.012 0.030 2
271 32 32 MET HB3 H 1.899 0.030 2
272 32 32 MET HG2 H 2.607 0.030 1
273 32 32 MET HG3 H 2.607 0.030 1
274 32 32 MET HE H 2.121 0.030 1
275 32 32 MET C C 176.130 0.300 1
276 32 32 MET CA C 53.648 0.300 1
277 32 32 MET CB C 36.096 0.300 1
278 32 32 MET CG C 32.417 0.300 1
279 32 32 MET CE C 17.083 0.300 1
280 32 32 MET N N 116.960 0.300 1
281 33 33 GLY H H 8.448 0.030 1
282 33 33 GLY HA2 H 3.731 0.030 2
283 33 33 GLY HA3 H 3.561 0.030 2
284 33 33 GLY C C 174.284 0.300 1
285 33 33 GLY CA C 47.820 0.300 1
286 33 33 GLY N N 107.099 0.300 1
287 34 34 ILE H H 7.690 0.030 1
288 34 34 ILE HA H 4.563 0.030 1
289 34 34 ILE HB H 1.680 0.030 1
290 34 34 ILE HG12 H 1.350 0.030 2
291 34 34 ILE HG13 H 1.086 0.030 2
292 34 34 ILE HG2 H 0.490 0.030 1
293 34 34 ILE HD1 H 0.623 0.030 1
294 34 34 ILE C C 176.815 0.300 1
295 34 34 ILE CA C 61.677 0.300 1
296 34 34 ILE CB C 36.870 0.300 1
297 34 34 ILE CG1 C 28.822 0.300 1
298 34 34 ILE CG2 C 18.029 0.300 1
299 34 34 ILE CD1 C 13.615 0.300 1
300 34 34 ILE N N 116.688 0.300 1
301 35 35 LEU H H 8.188 0.030 1
302 35 35 LEU HA H 4.515 0.030 1
303 35 35 LEU HB2 H 1.437 0.030 2
304 35 35 LEU HB3 H 1.366 0.030 2
305 35 35 LEU HG H 1.463 0.030 1
306 35 35 LEU HD1 H 0.834 0.030 1
307 35 35 LEU HD2 H 0.912 0.030 1
308 35 35 LEU C C 174.172 0.300 1
309 35 35 LEU CA C 53.713 0.300 1
310 35 35 LEU CB C 47.396 0.300 1
311 35 35 LEU CG C 26.552 0.300 1
312 35 35 LEU CD1 C 25.669 0.300 2
313 35 35 LEU CD2 C 23.971 0.300 2
314 35 35 LEU N N 129.612 0.300 1
315 36 36 PHE H H 8.520 0.030 1
316 36 36 PHE HA H 5.813 0.030 1
317 36 36 PHE HB2 H 2.915 0.030 2
318 36 36 PHE HB3 H 2.606 0.030 2
319 36 36 PHE HD1 H 6.913 0.030 1
320 36 36 PHE HD2 H 6.913 0.030 1
321 36 36 PHE HE1 H 6.467 0.030 1
322 36 36 PHE HE2 H 6.467 0.030 1
323 36 36 PHE HZ H 6.570 0.030 1
324 36 36 PHE C C 174.302 0.300 1
325 36 36 PHE CA C 53.856 0.300 1
326 36 36 PHE CB C 39.225 0.300 1
327 36 36 PHE CD1 C 132.247 0.300 1
328 36 36 PHE CD2 C 132.247 0.300 1
329 36 36 PHE CE1 C 131.045 0.300 1
330 36 36 PHE CE2 C 131.045 0.300 1
331 36 36 PHE CZ C 127.939 0.300 1
332 36 36 PHE N N 116.849 0.300 1
333 37 37 PRO HA H 4.365 0.030 1
334 37 37 PRO HB2 H 2.334 0.030 2
335 37 37 PRO HB3 H 1.882 0.030 2
336 37 37 PRO HG2 H 1.847 0.030 2
337 37 37 PRO HG3 H 1.649 0.030 2
338 37 37 PRO HD2 H 4.025 0.030 2
339 37 37 PRO HD3 H 3.276 0.030 2
340 37 37 PRO C C 176.566 0.300 1
341 37 37 PRO CA C 63.872 0.300 1
342 37 37 PRO CB C 32.805 0.300 1
343 37 37 PRO CG C 27.750 0.300 1
344 37 37 PRO CD C 51.085 0.300 1
345 38 38 GLU H H 6.810 0.030 1
346 38 38 GLU HA H 4.654 0.030 1
347 38 38 GLU HB2 H 1.854 0.030 1
348 38 38 GLU HB3 H 1.854 0.030 1
349 38 38 GLU HG2 H 2.113 0.030 2
350 38 38 GLU HG3 H 2.043 0.030 2
351 38 38 GLU C C 173.660 0.300 1
352 38 38 GLU CA C 55.942 0.300 1
353 38 38 GLU CB C 32.919 0.300 1
354 38 38 GLU CG C 36.453 0.300 1
355 38 38 GLU N N 114.528 0.300 1
356 39 39 VAL H H 8.705 0.030 1
357 39 39 VAL HA H 4.264 0.030 1
358 39 39 VAL HB H 1.983 0.030 1
359 39 39 VAL HG1 H 1.054 0.030 1
360 39 39 VAL HG2 H 0.916 0.030 1
361 39 39 VAL C C 174.310 0.300 1
362 39 39 VAL CA C 63.158 0.300 1
363 39 39 VAL CB C 34.493 0.300 1
364 39 39 VAL CG1 C 22.350 0.300 2
365 39 39 VAL CG2 C 22.140 0.300 2
366 39 39 VAL N N 127.975 0.300 1
367 40 40 ARG H H 8.615 0.030 1
368 40 40 ARG HA H 4.859 0.030 1
369 40 40 ARG HB2 H 2.214 0.030 2
370 40 40 ARG HB3 H 1.932 0.030 2
371 40 40 ARG HG2 H 1.506 0.030 1
372 40 40 ARG HG3 H 1.506 0.030 1
373 40 40 ARG HD2 H 3.200 0.030 2
374 40 40 ARG HD3 H 3.064 0.030 2
375 40 40 ARG C C 174.750 0.300 1
376 40 40 ARG CA C 53.663 0.300 1
377 40 40 ARG CB C 32.781 0.300 1
378 40 40 ARG CG C 27.813 0.300 1
379 40 40 ARG CD C 43.138 0.300 1
380 40 40 ARG N N 127.751 0.300 1
381 41 41 THR H H 7.955 0.030 1
382 41 41 THR HA H 4.171 0.030 1
383 41 41 THR HB H 4.140 0.030 1
384 41 41 THR HG2 H 1.387 0.030 1
385 41 41 THR C C 174.917 0.300 1
386 41 41 THR CA C 64.506 0.300 1
387 41 41 THR CB C 69.360 0.300 1
388 41 41 THR CG2 C 23.398 0.300 1
389 41 41 THR N N 108.652 0.300 1
390 42 42 THR H H 6.906 0.030 1
391 42 42 THR HA H 4.742 0.030 1
392 42 42 THR HB H 4.678 0.030 1
393 42 42 THR HG2 H 1.166 0.030 1
394 42 42 THR C C 174.692 0.300 1
395 42 42 THR CA C 59.216 0.300 1
396 42 42 THR CB C 71.017 0.300 1
397 42 42 THR CG2 C 20.939 0.300 1
398 42 42 THR N N 99.321 0.300 1
399 43 43 SER H H 7.157 0.030 1
400 43 43 SER HA H 5.195 0.030 1
401 43 43 SER HB2 H 3.686 0.030 1
402 43 43 SER HB3 H 3.686 0.030 1
403 43 43 SER C C 171.762 0.300 1
404 43 43 SER CA C 56.898 0.300 1
405 43 43 SER CB C 66.238 0.300 1
406 43 43 SER N N 114.143 0.300 1
407 44 44 VAL H H 8.151 0.030 1
408 44 44 VAL HA H 4.697 0.030 1
409 44 44 VAL HB H 1.952 0.030 1
410 44 44 VAL HG1 H 0.753 0.030 1
411 44 44 VAL HG2 H 0.644 0.030 1
412 44 44 VAL C C 172.799 0.300 1
413 44 44 VAL CA C 59.952 0.300 1
414 44 44 VAL CB C 36.953 0.300 1
415 44 44 VAL CG1 C 22.988 0.300 2
416 44 44 VAL CG2 C 21.443 0.300 2
417 44 44 VAL N N 113.658 0.300 1
418 45 45 ARG H H 8.636 0.030 1
419 45 45 ARG HA H 5.243 0.030 1
420 45 45 ARG HB2 H 1.754 0.030 2
421 45 45 ARG HB3 H 1.563 0.030 2
422 45 45 ARG HG2 H 1.501 0.030 2
423 45 45 ARG HG3 H 1.237 0.030 2
424 45 45 ARG HD2 H 3.091 0.030 2
425 45 45 ARG HD3 H 2.962 0.030 2
426 45 45 ARG HE H 7.416 0.030 1
427 45 45 ARG C C 173.144 0.300 1
428 45 45 ARG CA C 55.091 0.300 1
429 45 45 ARG CB C 34.162 0.300 1
430 45 45 ARG CG C 27.813 0.300 1
431 45 45 ARG CD C 43.643 0.300 1
432 45 45 ARG N N 124.983 0.300 1
433 45 45 ARG NE N 83.664 0.300 1
434 46 46 LEU H H 8.977 0.030 1
435 46 46 LEU HA H 5.160 0.030 1
436 46 46 LEU HB2 H 1.517 0.030 2
437 46 46 LEU HB3 H 1.209 0.030 2
438 46 46 LEU HG H 1.673 0.030 1
439 46 46 LEU HD1 H 0.754 0.030 1
440 46 46 LEU HD2 H 0.439 0.030 1
441 46 46 LEU C C 175.250 0.300 1
442 46 46 LEU CA C 53.242 0.300 1
443 46 46 LEU CB C 45.794 0.300 1
444 46 46 LEU CG C 27.328 0.300 1
445 46 46 LEU CD1 C 27.746 0.300 2
446 46 46 LEU CD2 C 25.795 0.300 2
447 46 46 LEU N N 125.449 0.300 1
448 47 47 ILE H H 8.576 0.030 1
449 47 47 ILE HA H 5.094 0.030 1
450 47 47 ILE HB H 1.881 0.030 1
451 47 47 ILE HG12 H 1.309 0.030 2
452 47 47 ILE HG13 H 0.759 0.030 2
453 47 47 ILE HG2 H 0.750 0.030 1
454 47 47 ILE HD1 H 0.769 0.030 1
455 47 47 ILE C C 173.690 0.300 1
456 47 47 ILE CA C 59.349 0.300 1
457 47 47 ILE CB C 41.898 0.300 1
458 47 47 ILE CG1 C 26.236 0.300 1
459 47 47 ILE CG2 C 18.268 0.300 1
460 47 47 ILE CD1 C 13.751 0.300 1
461 47 47 ILE N N 115.632 0.300 1
462 48 48 TRP H H 7.029 0.030 1
463 48 48 TRP HA H 4.884 0.030 1
464 48 48 TRP HB2 H 3.179 0.030 2
465 48 48 TRP HB3 H 2.904 0.030 2
466 48 48 TRP HD1 H 6.421 0.030 1
467 48 48 TRP HE1 H 6.191 0.030 1
468 48 48 TRP HE3 H 6.750 0.030 1
469 48 48 TRP HZ2 H 6.432 0.030 1
470 48 48 TRP HZ3 H 6.529 0.030 1
471 48 48 TRP HH2 H 6.612 0.030 1
472 48 48 TRP C C 173.373 0.300 1
473 48 48 TRP CA C 56.925 0.300 1
474 48 48 TRP CB C 31.181 0.300 1
475 48 48 TRP CD1 C 124.436 0.300 1
476 48 48 TRP CE3 C 121.052 0.300 1
477 48 48 TRP CZ2 C 112.687 0.300 1
478 48 48 TRP CZ3 C 120.702 0.300 1
479 48 48 TRP CH2 C 124.196 0.300 1
480 48 48 TRP N N 113.970 0.300 1
481 48 48 TRP NE1 N 123.242 0.300 1
482 49 49 GLN H H 8.932 0.030 1
483 49 49 GLN HA H 4.658 0.030 1
484 49 49 GLN HB2 H 2.210 0.030 2
485 49 49 GLN HB3 H 1.541 0.030 2
486 49 49 GLN HG2 H 2.335 0.030 1
487 49 49 GLN HG3 H 2.335 0.030 1
488 49 49 GLN HE21 H 7.749 0.030 2
489 49 49 GLN HE22 H 6.828 0.030 2
490 49 49 GLN C C 172.987 0.300 1
491 49 49 GLN CA C 52.487 0.300 1
492 49 49 GLN CB C 30.272 0.300 1
493 49 49 GLN CG C 33.756 0.300 1
494 49 49 GLN N N 116.895 0.300 1
495 49 49 GLN NE2 N 112.753 0.300 1
496 50 50 PRO HA H 5.172 0.030 1
497 50 50 PRO HB2 H 2.434 0.030 2
498 50 50 PRO HB3 H 1.831 0.030 2
499 50 50 PRO HG2 H 2.143 0.030 2
500 50 50 PRO HG3 H 1.958 0.030 2
501 50 50 PRO HD2 H 3.616 0.030 1
502 50 50 PRO HD3 H 3.616 0.030 1
503 50 50 PRO CA C 61.676 0.300 1
504 50 50 PRO CB C 30.507 0.300 1
505 50 50 PRO CG C 28.213 0.300 1
506 50 50 PRO CD C 50.706 0.300 1
507 51 51 PRO HA H 4.483 0.030 1
508 51 51 PRO HB2 H 1.973 0.030 2
509 51 51 PRO HB3 H 1.124 0.030 2
510 51 51 PRO HG2 H 1.793 0.030 2
511 51 51 PRO HG3 H 1.759 0.030 2
512 51 51 PRO HD2 H 4.082 0.030 2
513 51 51 PRO HD3 H 3.492 0.030 2
514 51 51 PRO C C 175.936 0.300 1
515 51 51 PRO CA C 62.441 0.300 1
516 51 51 PRO CB C 32.584 0.300 1
517 51 51 PRO CG C 28.885 0.300 1
518 51 51 PRO CD C 50.707 0.300 1
519 52 52 ALA H H 8.324 0.030 1
520 52 52 ALA HA H 4.184 0.030 1
521 52 52 ALA HB H 1.488 0.030 1
522 52 52 ALA C C 178.295 0.300 1
523 52 52 ALA CA C 53.963 0.300 1
524 52 52 ALA CB C 18.608 0.300 1
525 52 52 ALA N N 126.167 0.300 1
526 53 53 ALA H H 8.201 0.030 1
527 53 53 ALA HA H 4.911 0.030 1
528 53 53 ALA HB H 1.271 0.030 1
529 53 53 ALA C C 173.090 0.300 1
530 53 53 ALA CA C 48.820 0.300 1
531 53 53 ALA CB C 18.271 0.300 1
532 53 53 ALA N N 119.894 0.300 1
533 54 54 PRO HA H 3.987 0.030 1
534 54 54 PRO HB2 H 2.347 0.030 2
535 54 54 PRO HB3 H 1.975 0.030 2
536 54 54 PRO HG2 H 2.207 0.030 2
537 54 54 PRO HG3 H 2.089 0.030 2
538 54 54 PRO HD2 H 3.794 0.030 2
539 54 54 PRO HD3 H 3.403 0.030 2
540 54 54 PRO C C 174.420 0.300 1
541 54 54 PRO CA C 64.406 0.300 1
542 54 54 PRO CB C 31.811 0.300 1
543 54 54 PRO CG C 27.191 0.300 1
544 54 54 PRO CD C 50.265 0.300 1
545 55 55 ASN H H 8.000 0.030 1
546 55 55 ASN HA H 4.157 0.030 1
547 55 55 ASN HB2 H 2.614 0.030 1
548 55 55 ASN HB3 H 2.614 0.030 1
549 55 55 ASN HD21 H 7.698 0.030 2
550 55 55 ASN HD22 H 6.858 0.030 2
551 55 55 ASN C C 173.308 0.300 1
552 55 55 ASN CA C 53.543 0.300 1
553 55 55 ASN CB C 37.008 0.300 1
554 55 55 ASN N N 108.317 0.300 1
555 55 55 ASN ND2 N 115.559 0.300 1
556 56 56 GLY H H 7.276 0.030 1
557 56 56 GLY HA2 H 4.383 0.030 2
558 56 56 GLY HA3 H 3.765 0.030 2
559 56 56 GLY C C 172.284 0.300 1
560 56 56 GLY CA C 44.100 0.300 1
561 56 56 GLY N N 102.091 0.300 1
562 57 57 ILE H H 8.067 0.030 1
563 57 57 ILE HA H 4.017 0.030 1
564 57 57 ILE HB H 1.694 0.030 1
565 57 57 ILE HG12 H 1.548 0.030 2
566 57 57 ILE HG13 H 1.212 0.030 2
567 57 57 ILE HG2 H 0.830 0.030 1
568 57 57 ILE HD1 H 0.842 0.030 1
569 57 57 ILE C C 176.538 0.300 1
570 57 57 ILE CA C 60.317 0.300 1
571 57 57 ILE CB C 38.721 0.300 1
572 57 57 ILE CG1 C 27.561 0.300 1
573 57 57 ILE CG2 C 17.281 0.300 1
574 57 57 ILE CD1 C 12.252 0.300 1
575 57 57 ILE N N 120.270 0.300 1
576 58 58 ILE H H 8.509 0.030 1
577 58 58 ILE HA H 4.137 0.030 1
578 58 58 ILE HB H 2.024 0.030 1
579 58 58 ILE HG12 H 1.510 0.030 2
580 58 58 ILE HG13 H 1.415 0.030 2
581 58 58 ILE HG2 H 0.660 0.030 1
582 58 58 ILE HD1 H 0.694 0.030 1
583 58 58 ILE C C 176.425 0.300 1
584 58 58 ILE CA C 60.174 0.300 1
585 58 58 ILE CB C 35.931 0.300 1
586 58 58 ILE CG1 C 27.703 0.300 1
587 58 58 ILE CG2 C 18.101 0.300 1
588 58 58 ILE CD1 C 11.147 0.300 1
589 58 58 ILE N N 128.404 0.300 1
590 59 59 LEU H H 9.115 0.030 1
591 59 59 LEU HA H 4.309 0.030 1
592 59 59 LEU HB2 H 1.310 0.030 2
593 59 59 LEU HB3 H 1.177 0.030 2
594 59 59 LEU HG H 1.515 0.030 1
595 59 59 LEU HD1 H 0.500 0.030 1
596 59 59 LEU HD2 H 0.698 0.030 1
597 59 59 LEU C C 176.887 0.300 1
598 59 59 LEU CA C 54.621 0.300 1
599 59 59 LEU CB C 43.749 0.300 1
600 59 59 LEU CG C 26.778 0.300 1
601 59 59 LEU CD1 C 25.113 0.300 2
602 59 59 LEU CD2 C 21.822 0.300 2
603 59 59 LEU N N 124.984 0.300 1
604 60 60 ALA H H 7.190 0.030 1
605 60 60 ALA HA H 4.417 0.030 1
606 60 60 ALA HB H 1.441 0.030 1
607 60 60 ALA C C 174.805 0.300 1
608 60 60 ALA CA C 52.312 0.300 1
609 60 60 ALA CB C 22.216 0.300 1
610 60 60 ALA N N 116.478 0.300 1
611 61 61 TYR H H 8.066 0.030 1
612 61 61 TYR HA H 5.498 0.030 1
613 61 61 TYR HB2 H 2.590 0.030 2
614 61 61 TYR HB3 H 2.510 0.030 2
615 61 61 TYR HD1 H 7.074 0.030 1
616 61 61 TYR HD2 H 7.074 0.030 1
617 61 61 TYR HE1 H 6.991 0.030 1
618 61 61 TYR HE2 H 6.991 0.030 1
619 61 61 TYR C C 174.153 0.300 1
620 61 61 TYR CA C 57.908 0.300 1
621 61 61 TYR CB C 43.252 0.300 1
622 61 61 TYR CD1 C 133.292 0.300 1
623 61 61 TYR CD2 C 133.292 0.300 1
624 61 61 TYR CE1 C 118.027 0.300 1
625 61 61 TYR CE2 C 118.027 0.300 1
626 61 61 TYR N N 113.118 0.300 1
627 62 62 GLN H H 9.507 0.030 1
628 62 62 GLN HA H 5.234 0.030 1
629 62 62 GLN HB2 H 1.540 0.030 2
630 62 62 GLN HB3 H 1.478 0.030 2
631 62 62 GLN HG2 H 1.651 0.030 2
632 62 62 GLN HG3 H 1.526 0.030 2
633 62 62 GLN HE21 H 6.052 0.030 2
634 62 62 GLN HE22 H 5.988 0.030 2
635 62 62 GLN C C 174.120 0.300 1
636 62 62 GLN CA C 54.343 0.300 1
637 62 62 GLN CB C 33.278 0.300 1
638 62 62 GLN CG C 35.349 0.300 1
639 62 62 GLN N N 121.389 0.300 1
640 62 62 GLN NE2 N 109.263 0.300 1
641 63 63 ILE H H 9.084 0.030 1
642 63 63 ILE HA H 5.038 0.030 1
643 63 63 ILE HB H 1.159 0.030 1
644 63 63 ILE HG12 H 0.909 0.030 2
645 63 63 ILE HG13 H 0.706 0.030 2
646 63 63 ILE HG2 H 0.660 0.030 1
647 63 63 ILE HD1 H 0.209 0.030 1
648 63 63 ILE C C 175.385 0.300 1
649 63 63 ILE CA C 58.941 0.300 1
650 63 63 ILE CB C 40.108 0.300 1
651 63 63 ILE CG1 C 28.383 0.300 1
652 63 63 ILE CG2 C 17.722 0.300 1
653 63 63 ILE CD1 C 14.402 0.300 1
654 63 63 ILE N N 128.277 0.300 1
655 64 64 THR H H 9.180 0.030 1
656 64 64 THR HA H 5.685 0.030 1
657 64 64 THR HB H 3.903 0.030 1
658 64 64 THR HG2 H 0.973 0.030 1
659 64 64 THR C C 173.805 0.300 1
660 64 64 THR CA C 59.002 0.300 1
661 64 64 THR CB C 71.181 0.300 1
662 64 64 THR CG2 C 21.822 0.300 1
663 64 64 THR N N 120.668 0.300 1
664 65 65 HIS H H 8.435 0.030 1
665 65 65 HIS HA H 5.554 0.030 1
666 65 65 HIS HB2 H 1.850 0.030 2
667 65 65 HIS HB3 H 1.699 0.030 2
668 65 65 HIS HD2 H 6.350 0.030 1
669 65 65 HIS HE1 H 7.819 0.030 1
670 65 65 HIS C C 173.683 0.300 1
671 65 65 HIS CA C 54.581 0.300 1
672 65 65 HIS CB C 31.781 0.300 1
673 65 65 HIS CE1 C 138.833 0.300 1
674 65 65 HIS N N 117.247 0.300 1
675 66 66 ARG H H 8.099 0.030 1
676 66 66 ARG HA H 4.864 0.030 1
677 66 66 ARG HB2 H 1.774 0.030 2
678 66 66 ARG HB3 H 1.668 0.030 2
679 66 66 ARG HG2 H 1.471 0.030 2
680 66 66 ARG HG3 H 1.327 0.030 2
681 66 66 ARG HD2 H 3.010 0.030 2
682 66 66 ARG HD3 H 2.893 0.030 2
683 66 66 ARG HE H 7.213 0.030 1
684 66 66 ARG C C 174.543 0.300 1
685 66 66 ARG CA C 54.100 0.300 1
686 66 66 ARG CB C 33.416 0.300 1
687 66 66 ARG CG C 25.543 0.300 1
688 66 66 ARG CD C 43.832 0.300 1
689 66 66 ARG N N 114.727 0.300 1
690 66 66 ARG NE N 85.393 0.300 1
691 67 67 LEU H H 8.736 0.030 1
692 67 67 LEU HA H 3.863 0.030 1
693 67 67 LEU HB2 H 1.555 0.030 2
694 67 67 LEU HB3 H 1.423 0.030 2
695 67 67 LEU HG H 1.421 0.030 1
696 67 67 LEU HD1 H 0.785 0.030 1
697 67 67 LEU HD2 H 0.462 0.030 1
698 67 67 LEU C C 178.758 0.300 1
699 67 67 LEU CA C 55.599 0.300 1
700 67 67 LEU CB C 42.644 0.300 1
701 67 67 LEU CG C 27.498 0.300 1
702 67 67 LEU CD1 C 25.353 0.300 2
703 67 67 LEU CD2 C 24.609 0.300 2
704 67 67 LEU N N 124.970 0.300 1
705 68 68 ASN H H 8.857 0.030 1
706 68 68 ASN HA H 4.545 0.030 1
707 68 68 ASN HB2 H 2.568 0.030 2
708 68 68 ASN HB3 H 2.256 0.030 2
709 68 68 ASN HD21 H 7.400 0.030 2
710 68 68 ASN HD22 H 6.898 0.030 2
711 68 68 ASN C C 175.171 0.300 1
712 68 68 ASN CA C 54.461 0.300 1
713 68 68 ASN CB C 39.108 0.300 1
714 68 68 ASN N N 123.462 0.300 1
715 68 68 ASN ND2 N 112.753 0.300 1
716 69 69 THR H H 7.661 0.030 1
717 69 69 THR HA H 4.394 0.030 1
718 69 69 THR HB H 4.424 0.030 1
719 69 69 THR HG2 H 1.165 0.030 1
720 69 69 THR C C 174.686 0.300 1
721 69 69 THR CA C 61.037 0.300 1
722 69 69 THR CB C 69.471 0.300 1
723 69 69 THR CG2 C 21.695 0.300 1
724 69 69 THR N N 109.670 0.300 1
725 70 70 THR H H 7.835 0.030 1
726 70 70 THR HA H 4.528 0.030 1
727 70 70 THR HB H 4.343 0.030 1
728 70 70 THR HG2 H 1.230 0.030 1
729 70 70 THR C C 174.856 0.300 1
730 70 70 THR CA C 61.665 0.300 1
731 70 70 THR CB C 69.940 0.300 1
732 70 70 THR CG2 C 21.822 0.300 1
733 70 70 THR N N 113.779 0.300 1
734 71 71 THR H H 7.982 0.030 1
735 71 71 THR HA H 4.313 0.030 1
736 71 71 THR HB H 4.387 0.030 1
737 71 71 THR HG2 H 1.224 0.030 1
738 71 71 THR C C 175.111 0.300 1
739 71 71 THR CA C 61.559 0.300 1
740 71 71 THR CB C 69.746 0.300 1
741 71 71 THR CG2 C 21.948 0.300 1
742 71 71 THR N N 112.463 0.300 1
743 72 72 ALA H H 8.342 0.030 1
744 72 72 ALA HA H 4.066 0.030 1
745 72 72 ALA HB H 1.390 0.030 1
746 72 72 ALA C C 177.755 0.300 1
747 72 72 ALA CA C 53.752 0.300 1
748 72 72 ALA CB C 18.967 0.300 1
749 72 72 ALA N N 125.018 0.300 1
750 73 73 ASN H H 8.274 0.030 1
751 73 73 ASN HA H 4.642 0.030 1
752 73 73 ASN HB2 H 2.841 0.030 1
753 73 73 ASN HB3 H 2.841 0.030 1
754 73 73 ASN HD21 H 7.609 0.030 2
755 73 73 ASN HD22 H 6.991 0.030 2
756 73 73 ASN C C 175.316 0.300 1
757 73 73 ASN CA C 53.820 0.300 1
758 73 73 ASN CB C 38.555 0.300 1
759 73 73 ASN N N 116.888 0.300 1
760 73 73 ASN ND2 N 113.438 0.300 1
761 74 74 THR H H 7.974 0.030 1
762 74 74 THR HA H 4.330 0.030 1
763 74 74 THR HB H 4.243 0.030 1
764 74 74 THR HG2 H 1.206 0.030 1
765 74 74 THR C C 174.138 0.300 1
766 74 74 THR CA C 61.862 0.300 1
767 74 74 THR CB C 69.912 0.300 1
768 74 74 THR CG2 C 21.569 0.300 1
769 74 74 THR N N 112.978 0.300 1
770 75 75 ALA H H 8.066 0.030 1
771 75 75 ALA HA H 4.395 0.030 1
772 75 75 ALA HB H 1.165 0.030 1
773 75 75 ALA C C 177.226 0.300 1
774 75 75 ALA CA C 52.052 0.300 1
775 75 75 ALA CB C 19.875 0.300 1
776 75 75 ALA N N 125.898 0.300 1
777 76 76 THR H H 8.349 0.030 1
778 76 76 THR HA H 4.194 0.030 1
779 76 76 THR HB H 2.759 0.030 1
780 76 76 THR HG2 H 1.165 0.030 1
781 76 76 THR C C 172.811 0.300 1
782 76 76 THR CA C 63.222 0.300 1
783 76 76 THR CB C 69.415 0.300 1
784 76 76 THR CG2 C 21.822 0.300 1
785 76 76 THR N N 120.462 0.300 1
786 77 77 VAL H H 8.474 0.030 1
787 77 77 VAL HA H 4.670 0.030 1
788 77 77 VAL HB H 1.779 0.030 1
789 77 77 VAL HG1 H 0.609 0.030 1
790 77 77 VAL HG2 H 0.705 0.030 1
791 77 77 VAL C C 175.158 0.300 1
792 77 77 VAL CA C 61.076 0.300 1
793 77 77 VAL CB C 34.383 0.300 1
794 77 77 VAL CG1 C 20.766 0.300 2
795 77 77 VAL CG2 C 20.556 0.300 2
796 77 77 VAL N N 126.359 0.300 1
797 78 78 GLU H H 8.876 0.030 1
798 78 78 GLU HA H 4.787 0.030 1
799 78 78 GLU HB2 H 1.774 0.030 1
800 78 78 GLU HB3 H 1.774 0.030 1
801 78 78 GLU HG2 H 2.274 0.030 1
802 78 78 GLU HG3 H 2.274 0.030 1
803 78 78 GLU C C 174.071 0.300 1
804 78 78 GLU CA C 55.379 0.300 1
805 78 78 GLU CB C 33.692 0.300 1
806 78 78 GLU CG C 36.177 0.300 1
807 78 78 GLU N N 127.670 0.300 1
808 79 79 VAL H H 8.746 0.030 1
809 79 79 VAL HA H 4.889 0.030 1
810 79 79 VAL HB H 2.028 0.030 1
811 79 79 VAL HG1 H 1.129 0.030 1
812 79 79 VAL HG2 H 0.956 0.030 1
813 79 79 VAL C C 175.523 0.300 1
814 79 79 VAL CA C 62.215 0.300 1
815 79 79 VAL CB C 32.891 0.300 1
816 79 79 VAL CG1 C 21.833 0.300 2
817 79 79 VAL CG2 C 21.822 0.300 2
818 79 79 VAL N N 124.981 0.300 1
819 80 80 LEU H H 9.686 0.030 1
820 80 80 LEU HA H 4.997 0.030 1
821 80 80 LEU HB2 H 2.084 0.030 2
822 80 80 LEU HB3 H 1.751 0.030 2
823 80 80 LEU HG H 1.691 0.030 1
824 80 80 LEU HD1 H 1.019 0.030 1
825 80 80 LEU HD2 H 1.142 0.030 1
826 80 80 LEU C C 176.675 0.300 1
827 80 80 LEU CA C 53.493 0.300 1
828 80 80 LEU CB C 46.153 0.300 1
829 80 80 LEU CG C 28.381 0.300 1
830 80 80 LEU CD1 C 26.899 0.300 2
831 80 80 LEU CD2 C 24.407 0.300 2
832 80 80 LEU N N 128.491 0.300 1
833 81 81 ALA H H 8.621 0.030 1
834 81 81 ALA HA H 4.654 0.030 1
835 81 81 ALA HB H 1.677 0.030 1
836 81 81 ALA C C 176.726 0.300 1
837 81 81 ALA CA C 50.812 0.300 1
838 81 81 ALA CB C 18.437 0.300 1
839 81 81 ALA N N 123.146 0.300 1
840 82 82 PRO HA H 4.546 0.030 1
841 82 82 PRO HB2 H 2.121 0.030 2
842 82 82 PRO HB3 H 1.732 0.030 2
843 82 82 PRO HG2 H 2.129 0.030 2
844 82 82 PRO HG3 H 2.041 0.030 2
845 82 82 PRO HD2 H 3.987 0.030 2
846 82 82 PRO HD3 H 3.909 0.030 2
847 82 82 PRO C C 176.142 0.300 1
848 82 82 PRO CA C 64.083 0.300 1
849 82 82 PRO CB C 32.032 0.300 1
850 82 82 PRO CG C 27.624 0.300 1
851 82 82 PRO CD C 49.508 0.300 1
852 83 83 SER H H 7.279 0.030 1
853 83 83 SER HA H 4.433 0.030 1
854 83 83 SER HB2 H 4.084 0.030 2
855 83 83 SER HB3 H 3.861 0.030 2
856 83 83 SER C C 174.766 0.300 1
857 83 83 SER CA C 57.540 0.300 1
858 83 83 SER CB C 63.448 0.300 1
859 83 83 SER N N 110.470 0.300 1
860 84 84 ALA H H 8.095 0.030 1
861 84 84 ALA HA H 4.266 0.030 1
862 84 84 ALA HB H 1.833 0.030 1
863 84 84 ALA C C 177.770 0.300 1
864 84 84 ALA CA C 53.728 0.300 1
865 84 84 ALA CB C 20.984 0.300 1
866 84 84 ALA N N 127.677 0.300 1
867 85 85 ARG H H 8.120 0.030 1
868 85 85 ARG HA H 2.679 0.030 1
869 85 85 ARG HB2 H 1.755 0.030 2
870 85 85 ARG HB3 H 1.115 0.030 2
871 85 85 ARG HG2 H 1.390 0.030 2
872 85 85 ARG HG3 H 1.291 0.030 2
873 85 85 ARG HD2 H 2.915 0.030 2
874 85 85 ARG HD3 H 2.799 0.030 2
875 85 85 ARG HE H 7.295 0.030 1
876 85 85 ARG C C 173.287 0.300 1
877 85 85 ARG CA C 52.457 0.300 1
878 85 85 ARG CB C 31.841 0.300 1
879 85 85 ARG CG C 26.556 0.300 1
880 85 85 ARG CD C 41.976 0.300 1
881 85 85 ARG N N 118.471 0.300 1
882 85 85 ARG NE N 85.100 0.300 1
883 86 86 GLN H H 6.702 0.030 1
884 86 86 GLN HA H 5.271 0.030 1
885 86 86 GLN HB2 H 1.850 0.030 2
886 86 86 GLN HB3 H 1.766 0.030 2
887 86 86 GLN HG2 H 2.232 0.030 2
888 86 86 GLN HG3 H 2.037 0.030 2
889 86 86 GLN HE21 H 7.440 0.030 2
890 86 86 GLN HE22 H 6.758 0.030 2
891 86 86 GLN C C 174.158 0.300 1
892 86 86 GLN CA C 53.419 0.300 1
893 86 86 GLN CB C 32.808 0.300 1
894 86 86 GLN CG C 32.560 0.300 1
895 86 86 GLN N N 113.793 0.300 1
896 86 86 GLN NE2 N 111.840 0.300 1
897 87 87 TYR H H 9.096 0.030 1
898 87 87 TYR HA H 4.762 0.030 1
899 87 87 TYR HB2 H 3.481 0.030 2
900 87 87 TYR HB3 H 2.708 0.030 2
901 87 87 TYR HD1 H 7.116 0.030 1
902 87 87 TYR HD2 H 7.116 0.030 1
903 87 87 TYR HE1 H 6.816 0.030 1
904 87 87 TYR HE2 H 6.816 0.030 1
905 87 87 TYR C C 172.827 0.300 1
906 87 87 TYR CA C 58.142 0.300 1
907 87 87 TYR CB C 42.754 0.300 1
908 87 87 TYR CD1 C 132.833 0.300 1
909 87 87 TYR CD2 C 132.833 0.300 1
910 87 87 TYR CE1 C 118.140 0.300 1
911 87 87 TYR CE2 C 118.140 0.300 1
912 87 87 TYR N N 122.170 0.300 1
913 88 88 THR H H 7.662 0.030 1
914 88 88 THR HA H 5.003 0.030 1
915 88 88 THR HB H 3.709 0.030 1
916 88 88 THR HG2 H 0.857 0.030 1
917 88 88 THR C C 172.157 0.300 1
918 88 88 THR CA C 61.180 0.300 1
919 88 88 THR CB C 69.735 0.300 1
920 88 88 THR CG2 C 20.738 0.300 1
921 88 88 THR N N 123.531 0.300 1
922 89 89 ALA H H 8.680 0.030 1
923 89 89 ALA HA H 4.540 0.030 1
924 89 89 ALA HB H 1.143 0.030 1
925 89 89 ALA C C 175.785 0.300 1
926 89 89 ALA CA C 50.046 0.300 1
927 89 89 ALA CB C 20.707 0.300 1
928 89 89 ALA N N 130.190 0.300 1
929 90 90 THR H H 8.225 0.030 1
930 90 90 THR HA H 4.833 0.030 1
931 90 90 THR HB H 4.347 0.030 1
932 90 90 THR HG2 H 1.030 0.030 1
933 90 90 THR C C 174.305 0.300 1
934 90 90 THR CA C 59.831 0.300 1
935 90 90 THR CB C 71.432 0.300 1
936 90 90 THR CG2 C 21.648 0.300 1
937 90 90 THR N N 111.429 0.300 1
938 91 91 GLY H H 8.874 0.030 1
939 91 91 GLY HA2 H 3.988 0.030 2
940 91 91 GLY HA3 H 3.883 0.030 2
941 91 91 GLY C C 175.554 0.300 1
942 91 91 GLY CA C 46.432 0.300 1
943 91 91 GLY N N 108.249 0.300 1
944 92 92 LEU H H 8.375 0.030 1
945 92 92 LEU HA H 4.208 0.030 1
946 92 92 LEU HB2 H 1.241 0.030 2
947 92 92 LEU HB3 H 0.961 0.030 2
948 92 92 LEU HG H 1.016 0.030 1
949 92 92 LEU HD1 H 0.094 0.030 1
950 92 92 LEU HD2 H 0.063 0.030 1
951 92 92 LEU C C 175.557 0.300 1
952 92 92 LEU CA C 53.490 0.300 1
953 92 92 LEU CB C 40.793 0.300 1
954 92 92 LEU CG C 26.449 0.300 1
955 92 92 LEU CD1 C 26.178 0.300 2
956 92 92 LEU CD2 C 20.308 0.300 2
957 92 92 LEU N N 118.733 0.300 1
958 93 93 LYS H H 8.868 0.030 1
959 93 93 LYS HA H 4.665 0.030 1
960 93 93 LYS HB2 H 1.888 0.030 1
961 93 93 LYS HB3 H 1.888 0.030 1
962 93 93 LYS HG2 H 1.595 0.030 2
963 93 93 LYS HG3 H 1.539 0.030 2
964 93 93 LYS HD2 H 1.696 0.030 1
965 93 93 LYS HD3 H 1.696 0.030 1
966 93 93 LYS HE2 H 3.014 0.030 1
967 93 93 LYS HE3 H 3.014 0.030 1
968 93 93 LYS C C 174.944 0.300 1
969 93 93 LYS CA C 53.745 0.300 1
970 93 93 LYS CB C 33.641 0.300 1
971 93 93 LYS CG C 24.875 0.300 1
972 93 93 LYS CD C 29.551 0.300 1
973 93 93 LYS CE C 42.295 0.300 1
974 93 93 LYS N N 122.155 0.300 1
975 94 94 PRO HA H 5.285 0.030 1
976 94 94 PRO HB2 H 2.380 0.030 2
977 94 94 PRO HB3 H 1.947 0.030 2
978 94 94 PRO HG2 H 2.044 0.030 2
979 94 94 PRO HG3 H 1.836 0.030 2
980 94 94 PRO HD2 H 4.053 0.030 2
981 94 94 PRO HD3 H 3.626 0.030 2
982 94 94 PRO C C 177.958 0.300 1
983 94 94 PRO CA C 63.038 0.300 1
984 94 94 PRO CB C 34.075 0.300 1
985 94 94 PRO CG C 27.435 0.300 1
986 94 94 PRO CD C 51.279 0.300 1
987 95 95 GLU H H 8.796 0.030 1
988 95 95 GLU HA H 3.710 0.030 1
989 95 95 GLU HB2 H 2.136 0.030 2
990 95 95 GLU HB3 H 1.927 0.030 2
991 95 95 GLU HG2 H 2.304 0.030 2
992 95 95 GLU HG3 H 2.173 0.030 2
993 95 95 GLU C C 175.863 0.300 1
994 95 95 GLU CA C 55.942 0.300 1
995 95 95 GLU CB C 27.394 0.300 1
996 95 95 GLU CG C 36.138 0.300 1
997 95 95 GLU N N 122.393 0.300 1
998 96 96 SER H H 8.420 0.030 1
999 96 96 SER HA H 4.945 0.030 1
1000 96 96 SER HB2 H 3.687 0.030 2
1001 96 96 SER HB3 H 3.374 0.030 2
1002 96 96 SER C C 170.517 0.300 1
1003 96 96 SER CA C 58.170 0.300 1
1004 96 96 SER CB C 66.845 0.300 1
1005 96 96 SER N N 114.034 0.300 1
1006 97 97 VAL H H 8.259 0.030 1
1007 97 97 VAL HA H 4.567 0.030 1
1008 97 97 VAL HB H 2.001 0.030 1
1009 97 97 VAL HG1 H 0.895 0.030 1
1010 97 97 VAL HG2 H 0.996 0.030 1
1011 97 97 VAL C C 175.512 0.300 1
1012 97 97 VAL CA C 61.836 0.300 1
1013 97 97 VAL CB C 32.077 0.300 1
1014 97 97 VAL CG1 C 22.326 0.300 2
1015 97 97 VAL CG2 C 20.939 0.300 2
1016 97 97 VAL N N 121.435 0.300 1
1017 98 98 TYR H H 9.653 0.030 1
1018 98 98 TYR HA H 4.764 0.030 1
1019 98 98 TYR HB2 H 2.857 0.030 2
1020 98 98 TYR HB3 H 2.624 0.030 2
1021 98 98 TYR HD1 H 6.829 0.030 1
1022 98 98 TYR HD2 H 6.829 0.030 1
1023 98 98 TYR HE1 H 6.964 0.030 1
1024 98 98 TYR HE2 H 6.964 0.030 1
1025 98 98 TYR C C 173.890 0.300 1
1026 98 98 TYR CA C 58.443 0.300 1
1027 98 98 TYR CB C 43.528 0.300 1
1028 98 98 TYR CD1 C 132.402 0.300 1
1029 98 98 TYR CD2 C 132.402 0.300 1
1030 98 98 TYR CE1 C 118.778 0.300 1
1031 98 98 TYR CE2 C 118.778 0.300 1
1032 98 98 TYR N N 127.432 0.300 1
1033 99 99 LEU H H 8.945 0.030 1
1034 99 99 LEU HA H 5.057 0.030 1
1035 99 99 LEU HB2 H 1.643 0.030 2
1036 99 99 LEU HB3 H 1.358 0.030 2
1037 99 99 LEU HG H 1.316 0.030 1
1038 99 99 LEU HD1 H 0.782 0.030 1
1039 99 99 LEU HD2 H 0.858 0.030 1
1040 99 99 LEU C C 176.387 0.300 1
1041 99 99 LEU CA C 54.105 0.300 1
1042 99 99 LEU CB C 44.412 0.300 1
1043 99 99 LEU CG C 27.966 0.300 1
1044 99 99 LEU CD1 C 25.734 0.300 2
1045 99 99 LEU CD2 C 23.866 0.300 2
1046 99 99 LEU N N 122.123 0.300 1
1047 100 100 PHE H H 9.585 0.030 1
1048 100 100 PHE HA H 5.445 0.030 1
1049 100 100 PHE HB2 H 3.307 0.030 2
1050 100 100 PHE HB3 H 2.705 0.030 2
1051 100 100 PHE HD1 H 7.185 0.030 1
1052 100 100 PHE HD2 H 7.185 0.030 1
1053 100 100 PHE HE1 H 6.832 0.030 1
1054 100 100 PHE HE2 H 6.832 0.030 1
1055 100 100 PHE HZ H 6.408 0.030 1
1056 100 100 PHE C C 174.689 0.300 1
1057 100 100 PHE CA C 57.014 0.300 1
1058 100 100 PHE CB C 43.058 0.300 1
1059 100 100 PHE CD1 C 131.829 0.300 1
1060 100 100 PHE CD2 C 131.829 0.300 1
1061 100 100 PHE CE1 C 130.817 0.300 1
1062 100 100 PHE CE2 C 130.817 0.300 1
1063 100 100 PHE CZ C 128.843 0.300 1
1064 100 100 PHE N N 127.911 0.300 1
1065 101 101 ARG H H 8.933 0.030 1
1066 101 101 ARG HA H 5.525 0.030 1
1067 101 101 ARG HB2 H 1.701 0.030 2
1068 101 101 ARG HB3 H 1.621 0.030 2
1069 101 101 ARG HG2 H 1.509 0.030 2
1070 101 101 ARG HG3 H 1.493 0.030 2
1071 101 101 ARG HD2 H 3.145 0.030 2
1072 101 101 ARG HD3 H 2.890 0.030 2
1073 101 101 ARG HE H 7.638 0.030 1
1074 101 101 ARG C C 175.397 0.300 1
1075 101 101 ARG CA C 54.422 0.300 1
1076 101 101 ARG CB C 33.936 0.300 1
1077 101 101 ARG CG C 28.542 0.300 1
1078 101 101 ARG CD C 43.769 0.300 1
1079 101 101 ARG N N 119.342 0.300 1
1080 101 101 ARG NE N 84.642 0.300 1
1081 102 102 ILE H H 9.074 0.030 1
1082 102 102 ILE HA H 5.315 0.030 1
1083 102 102 ILE HB H 1.302 0.030 1
1084 102 102 ILE HG12 H 1.251 0.030 2
1085 102 102 ILE HG13 H 0.591 0.030 2
1086 102 102 ILE HG2 H 0.205 0.030 1
1087 102 102 ILE HD1 H -0.075 0.030 1
1088 102 102 ILE C C 174.283 0.300 1
1089 102 102 ILE CA C 59.859 0.300 1
1090 102 102 ILE CB C 41.262 0.300 1
1091 102 102 ILE CG1 C 28.002 0.300 1
1092 102 102 ILE CG2 C 16.752 0.300 1
1093 102 102 ILE CD1 C 14.112 0.300 1
1094 102 102 ILE N N 123.099 0.300 1
1095 103 103 THR H H 8.719 0.030 1
1096 103 103 THR HA H 4.649 0.030 1
1097 103 103 THR HB H 3.935 0.030 1
1098 103 103 THR HG2 H 1.295 0.030 1
1099 103 103 THR C C 172.415 0.300 1
1100 103 103 THR CA C 60.552 0.300 1
1101 103 103 THR CB C 71.709 0.300 1
1102 103 103 THR CG2 C 23.714 0.300 1
1103 103 103 THR N N 119.662 0.300 1
1104 104 104 ALA H H 9.696 0.030 1
1105 104 104 ALA HA H 5.231 0.030 1
1106 104 104 ALA HB H 1.323 0.030 1
1107 104 104 ALA C C 174.293 0.300 1
1108 104 104 ALA CA C 50.321 0.300 1
1109 104 104 ALA CB C 22.448 0.300 1
1110 104 104 ALA N N 127.560 0.300 1
1111 105 105 GLN H H 7.624 0.030 1
1112 105 105 GLN HA H 4.478 0.030 1
1113 105 105 GLN HB2 H 1.045 0.030 2
1114 105 105 GLN HB3 H -0.520 0.030 2
1115 105 105 GLN HG2 H 1.761 0.030 2
1116 105 105 GLN HG3 H 0.351 0.030 2
1117 105 105 GLN HE21 H 6.040 0.030 2
1118 105 105 GLN HE22 H 5.986 0.030 2
1119 105 105 GLN C C 176.553 0.300 1
1120 105 105 GLN CA C 53.728 0.300 1
1121 105 105 GLN CB C 31.566 0.300 1
1122 105 105 GLN CG C 32.669 0.300 1
1123 105 105 GLN N N 120.572 0.300 1
1124 105 105 GLN NE2 N 106.914 0.300 1
1125 106 106 THR H H 8.208 0.030 1
1126 106 106 THR HA H 4.883 0.030 1
1127 106 106 THR HB H 4.588 0.030 1
1128 106 106 THR HG2 H 1.002 0.030 1
1129 106 106 THR C C 176.751 0.300 1
1130 106 106 THR CA C 60.157 0.300 1
1131 106 106 THR CB C 73.117 0.300 1
1132 106 106 THR CG2 C 21.556 0.300 1
1133 106 106 THR N N 115.872 0.300 1
1134 107 107 ARG H H 9.588 0.030 1
1135 107 107 ARG HA H 3.971 0.030 1
1136 107 107 ARG HB2 H 1.974 0.030 2
1137 107 107 ARG HB3 H 1.789 0.030 2
1138 107 107 ARG HG2 H 1.763 0.030 2
1139 107 107 ARG HG3 H 1.506 0.030 2
1140 107 107 ARG HD2 H 3.194 0.030 2
1141 107 107 ARG HD3 H 3.147 0.030 2
1142 107 107 ARG C C 176.674 0.300 1
1143 107 107 ARG CA C 58.474 0.300 1
1144 107 107 ARG CB C 29.051 0.300 1
1145 107 107 ARG CG C 26.426 0.300 1
1146 107 107 ARG CD C 43.454 0.300 1
1147 107 107 ARG N N 119.725 0.300 1
1148 108 108 LYS H H 7.551 0.030 1
1149 108 108 LYS HA H 4.181 0.030 1
1150 108 108 LYS HB2 H 1.696 0.030 2
1151 108 108 LYS HB3 H 1.386 0.030 2
1152 108 108 LYS HG2 H 1.323 0.030 1
1153 108 108 LYS HG3 H 1.323 0.030 1
1154 108 108 LYS HD2 H 1.639 0.030 1
1155 108 108 LYS HD3 H 1.639 0.030 1
1156 108 108 LYS HE2 H 2.961 0.030 1
1157 108 108 LYS HE3 H 2.961 0.030 1
1158 108 108 LYS C C 175.958 0.300 1
1159 108 108 LYS CA C 55.966 0.300 1
1160 108 108 LYS CB C 32.421 0.300 1
1161 108 108 LYS CG C 25.101 0.300 1
1162 108 108 LYS CD C 28.191 0.300 1
1163 108 108 LYS CE C 42.129 0.300 1
1164 108 108 LYS N N 116.830 0.300 1
1165 109 109 GLY H H 7.396 0.030 1
1166 109 109 GLY HA2 H 4.505 0.030 2
1167 109 109 GLY HA3 H 3.652 0.030 2
1168 109 109 GLY C C 172.040 0.300 1
1169 109 109 GLY CA C 43.930 0.300 1
1170 109 109 GLY N N 107.139 0.300 1
1171 110 110 TRP H H 8.275 0.030 1
1172 110 110 TRP HA H 4.865 0.030 1
1173 110 110 TRP HB2 H 3.274 0.030 2
1174 110 110 TRP HB3 H 3.036 0.030 2
1175 110 110 TRP HD1 H 7.326 0.030 1
1176 110 110 TRP HE1 H 10.098 0.030 1
1177 110 110 TRP HE3 H 7.233 0.030 1
1178 110 110 TRP HZ2 H 7.244 0.030 1
1179 110 110 TRP HZ3 H 6.722 0.030 1
1180 110 110 TRP HH2 H 6.693 0.030 1
1181 110 110 TRP C C 178.060 0.300 1
1182 110 110 TRP CA C 57.095 0.300 1
1183 110 110 TRP CB C 30.460 0.300 1
1184 110 110 TRP CD1 C 127.485 0.300 1
1185 110 110 TRP CE3 C 120.228 0.300 1
1186 110 110 TRP CZ2 C 115.105 0.300 1
1187 110 110 TRP CZ3 C 123.334 0.300 1
1188 110 110 TRP CH2 C 124.212 0.300 1
1189 110 110 TRP N N 119.836 0.300 1
1190 110 110 TRP NE1 N 129.717 0.300 1
1191 111 111 GLY H H 8.895 0.030 1
1192 111 111 GLY HA2 H 4.349 0.030 1
1193 111 111 GLY HA3 H 4.349 0.030 1
1194 111 111 GLY C C 173.029 0.300 1
1195 111 111 GLY CA C 44.245 0.300 1
1196 111 111 GLY N N 109.061 0.300 1
1197 112 112 GLU H H 7.590 0.030 1
1198 112 112 GLU HA H 4.184 0.030 1
1199 112 112 GLU HB2 H 1.907 0.030 2
1200 112 112 GLU HB3 H 1.814 0.030 2
1201 112 112 GLU HG2 H 2.432 0.030 2
1202 112 112 GLU HG3 H 2.323 0.030 2
1203 112 112 GLU C C 176.650 0.300 1
1204 112 112 GLU CA C 56.059 0.300 1
1205 112 112 GLU CB C 31.593 0.300 1
1206 112 112 GLU CG C 36.487 0.300 1
1207 112 112 GLU N N 119.263 0.300 1
1208 113 113 ALA H H 8.639 0.030 1
1209 113 113 ALA HA H 4.837 0.030 1
1210 113 113 ALA HB H 1.199 0.030 1
1211 113 113 ALA C C 178.984 0.300 1
1212 113 113 ALA CA C 51.802 0.300 1
1213 113 113 ALA CB C 19.906 0.300 1
1214 113 113 ALA N N 125.994 0.300 1
1215 114 114 ALA H H 8.913 0.030 1
1216 114 114 ALA HA H 4.743 0.030 1
1217 114 114 ALA HB H 1.456 0.030 1
1218 114 114 ALA C C 176.084 0.300 1
1219 114 114 ALA CA C 51.427 0.300 1
1220 114 114 ALA CB C 21.646 0.300 1
1221 114 114 ALA N N 124.602 0.300 1
1222 115 115 GLU H H 8.627 0.030 1
1223 115 115 GLU HA H 5.656 0.030 1
1224 115 115 GLU HB2 H 1.950 0.030 1
1225 115 115 GLU HB3 H 1.950 0.030 1
1226 115 115 GLU HG2 H 2.208 0.030 2
1227 115 115 GLU HG3 H 2.081 0.030 2
1228 115 115 GLU C C 175.809 0.300 1
1229 115 115 GLU CA C 54.408 0.300 1
1230 115 115 GLU CB C 34.218 0.300 1
1231 115 115 GLU CG C 37.210 0.300 1
1232 115 115 GLU N N 119.789 0.300 1
1233 116 116 ALA H H 9.220 0.030 1
1234 116 116 ALA HA H 4.745 0.030 1
1235 116 116 ALA HB H 1.553 0.030 1
1236 116 116 ALA C C 174.642 0.300 1
1237 116 116 ALA CA C 52.130 0.300 1
1238 116 116 ALA CB C 23.830 0.300 1
1239 116 116 ALA N N 124.425 0.300 1
1240 117 117 LEU H H 8.411 0.030 1
1241 117 117 LEU HA H 5.690 0.030 1
1242 117 117 LEU HB2 H 1.710 0.030 2
1243 117 117 LEU HB3 H 1.284 0.030 2
1244 117 117 LEU HG H 1.665 0.030 1
1245 117 117 LEU HD1 H 0.854 0.030 1
1246 117 117 LEU HD2 H 0.804 0.030 1
1247 117 117 LEU C C 176.376 0.300 1
1248 117 117 LEU CA C 53.636 0.300 1
1249 117 117 LEU CB C 44.965 0.300 1
1250 117 117 LEU CG C 27.092 0.300 1
1251 117 117 LEU CD1 C 25.669 0.300 2
1252 117 117 LEU CD2 C 24.470 0.300 2
1253 117 117 LEU N N 121.390 0.300 1
1254 118 118 VAL H H 9.024 0.030 1
1255 118 118 VAL HA H 4.259 0.030 1
1256 118 118 VAL HB H 0.744 0.030 1
1257 118 118 VAL HG1 H 0.377 0.030 1
1258 118 118 VAL HG2 H 0.515 0.030 1
1259 118 118 VAL C C 171.034 0.300 1
1260 118 118 VAL CA C 59.964 0.300 1
1261 118 118 VAL CB C 34.660 0.300 1
1262 118 118 VAL CG1 C 22.366 0.300 2
1263 118 118 VAL CG2 C 20.607 0.300 2
1264 118 118 VAL N N 121.483 0.300 1
1265 119 119 VAL H H 7.739 0.030 1
1266 119 119 VAL HA H 5.303 0.030 1
1267 119 119 VAL HB H 1.853 0.030 1
1268 119 119 VAL HG1 H 0.902 0.030 1
1269 119 119 VAL HG2 H 0.778 0.030 1
1270 119 119 VAL C C 177.632 0.300 1
1271 119 119 VAL CA C 59.346 0.300 1
1272 119 119 VAL CB C 33.388 0.300 1
1273 119 119 VAL CG1 C 21.545 0.300 2
1274 119 119 VAL CG2 C 20.497 0.300 2
1275 119 119 VAL N N 126.042 0.300 1
1276 120 120 THR H H 9.072 0.030 1
1277 120 120 THR HA H 4.104 0.030 1
1278 120 120 THR HB H 4.941 0.030 1
1279 120 120 THR HG2 H 0.971 0.030 1
1280 120 120 THR C C 175.042 0.300 1
1281 120 120 THR CA C 60.264 0.300 1
1282 120 120 THR CB C 67.232 0.300 1
1283 120 120 THR CG2 C 24.407 0.300 1
1284 120 120 THR N N 117.678 0.300 1
1285 121 121 THR H H 7.633 0.030 1
1286 121 121 THR HA H 4.484 0.030 1
1287 121 121 THR HB H 3.990 0.030 1
1288 121 121 THR HG2 H 1.087 0.030 1
1289 121 121 THR C C 172.999 0.300 1
1290 121 121 THR CA C 60.657 0.300 1
1291 121 121 THR CB C 70.244 0.300 1
1292 121 121 THR CG2 C 20.766 0.300 1
1293 121 121 THR N N 116.255 0.300 1
1294 122 122 GLU H H 8.690 0.030 1
1295 122 122 GLU HA H 4.397 0.030 1
1296 122 122 GLU HB2 H 2.112 0.030 2
1297 122 122 GLU HB3 H 1.920 0.030 2
1298 122 122 GLU HG2 H 2.322 0.030 2
1299 122 122 GLU HG3 H 2.271 0.030 2
1300 122 122 GLU C C 176.421 0.300 1
1301 122 122 GLU CA C 55.985 0.300 1
1302 122 122 GLU CB C 30.874 0.300 1
1303 122 122 GLU CG C 36.646 0.300 1
1304 122 122 GLU N N 121.788 0.300 1
1305 123 123 LYS H H 8.631 0.030 1
1306 123 123 LYS HA H 4.287 0.030 1
1307 123 123 LYS HB2 H 1.842 0.030 2
1308 123 123 LYS HB3 H 1.740 0.030 2
1309 123 123 LYS HG2 H 1.465 0.030 2
1310 123 123 LYS HG3 H 1.422 0.030 2
1311 123 123 LYS HD2 H 1.695 0.030 1
1312 123 123 LYS HD3 H 1.695 0.030 1
1313 123 123 LYS HE2 H 3.004 0.030 1
1314 123 123 LYS HE3 H 3.004 0.030 1
1315 123 123 LYS C C 176.415 0.300 1
1316 123 123 LYS CA C 56.755 0.300 1
1317 123 123 LYS CB C 33.029 0.300 1
1318 123 123 LYS CG C 24.786 0.300 1
1319 123 123 LYS CD C 29.327 0.300 1
1320 123 123 LYS CE C 42.129 0.300 1
1321 123 123 LYS N N 123.785 0.300 1
1322 124 124 ARG H H 8.576 0.030 1
1323 124 124 ARG HA H 4.466 0.030 1
1324 124 124 ARG HB2 H 1.915 0.030 2
1325 124 124 ARG HB3 H 1.790 0.030 2
1326 124 124 ARG HG2 H 1.678 0.030 2
1327 124 124 ARG HG3 H 1.642 0.030 2
1328 124 124 ARG HD2 H 3.224 0.030 1
1329 124 124 ARG HD3 H 3.224 0.030 1
1330 124 124 ARG C C 176.257 0.300 1
1331 124 124 ARG CA C 55.784 0.300 1
1332 124 124 ARG CB C 31.206 0.300 1
1333 124 124 ARG CG C 27.130 0.300 1
1334 124 124 ARG CD C 43.328 0.300 1
1335 124 124 ARG N N 124.118 0.300 1
1336 125 125 SER H H 8.476 0.030 1
1337 125 125 SER HA H 4.530 0.030 1
1338 125 125 SER HB2 H 3.893 0.030 1
1339 125 125 SER HB3 H 3.893 0.030 1
1340 125 125 SER C C 174.498 0.300 1
1341 125 125 SER CA C 58.261 0.300 1
1342 125 125 SER CB C 64.138 0.300 1
1343 125 125 SER N N 117.654 0.300 1
1344 126 126 GLY H H 8.330 0.030 1
1345 126 126 GLY HA2 H 4.160 0.030 1
1346 126 126 GLY HA3 H 4.160 0.030 1
1347 126 126 GLY C C 171.834 0.300 1
1348 126 126 GLY CA C 44.725 0.300 1
1349 126 126 GLY N N 110.804 0.300 1
1350 127 127 PRO HA H 4.515 0.030 1
1351 127 127 PRO HB2 H 2.322 0.030 2
1352 127 127 PRO HB3 H 2.011 0.030 2
1353 127 127 PRO HG2 H 2.042 0.030 1
1354 127 127 PRO HG3 H 2.042 0.030 1
1355 127 127 PRO HD2 H 3.658 0.030 1
1356 127 127 PRO HD3 H 3.658 0.030 1
1357 127 127 PRO C C 177.389 0.300 1
1358 127 127 PRO CA C 63.312 0.300 1
1359 127 127 PRO CB C 32.363 0.300 1
1360 127 127 PRO CG C 27.182 0.300 1
1361 127 127 PRO CD C 49.887 0.300 1
1362 128 128 SER H H 8.586 0.030 1
1363 128 128 SER C C 174.652 0.300 1
1364 128 128 SER CA C 58.449 0.300 1
1365 128 128 SER CB C 63.828 0.300 1
1366 128 128 SER N N 116.481 0.300 1
1367 129 129 SER C C 173.912 0.300 1
1368 129 129 SER CA C 58.412 0.300 1
1369 129 129 SER CB C 64.062 0.300 1
1370 130 130 GLY H H 8.089 0.030 1
1371 130 130 GLY HA2 H 3.815 0.030 2
1372 130 130 GLY HA3 H 3.767 0.030 2
1373 130 130 GLY C C 179.034 0.300 1
1374 130 130 GLY CA C 46.275 0.300 1
1375 130 130 GLY N N 116.896 0.300 1
stop_
save_