data_10087
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of C-terminal ubiquitin like domain of human
2'-5'-oligoadenylate synthetase-like protain (p59 OASL)
;
_BMRB_accession_number 10087
_BMRB_flat_file_name bmr10087.str
_Entry_type original
_Submission_date 2007-01-24
_Accession_date 2007-01-24
_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 Tochio N. . .
2 Tomizawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 468
"13C chemical shifts" 348
"15N chemical shifts" 87
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
;
Solution structure of C-terminal ubiquitin like domain of human
2'-5'-oligoadenylate synthetase-like protain (p59 OASL)
;
_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 Tochio N. . .
2 Tomizawa T. . .
3 Koshiba S. . .
4 Inoue M. . .
5 Kigawa T. . .
6 Yokoyama S. . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name '59 kDa 2'-5'-oligoadenylate synthetase like protein'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'59 kDa 2'-5'-oligoadenylate synthetase like protein' $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 'ubiquitin like domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 87
_Mol_residue_sequence
;
GSSGSSGIQVFVKNPDGGSY
AYAINPNSFILGLKQQIEDQ
QGLPKKQQQLEFQGQVLQDW
LGLGIYGIQDSDTLILSKKK
GSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 ILE 9 GLN 10 VAL
11 PHE 12 VAL 13 LYS 14 ASN 15 PRO
16 ASP 17 GLY 18 GLY 19 SER 20 TYR
21 ALA 22 TYR 23 ALA 24 ILE 25 ASN
26 PRO 27 ASN 28 SER 29 PHE 30 ILE
31 LEU 32 GLY 33 LEU 34 LYS 35 GLN
36 GLN 37 ILE 38 GLU 39 ASP 40 GLN
41 GLN 42 GLY 43 LEU 44 PRO 45 LYS
46 LYS 47 GLN 48 GLN 49 GLN 50 LEU
51 GLU 52 PHE 53 GLN 54 GLY 55 GLN
56 VAL 57 LEU 58 GLN 59 ASP 60 TRP
61 LEU 62 GLY 63 LEU 64 GLY 65 ILE
66 TYR 67 GLY 68 ILE 69 GLN 70 ASP
71 SER 72 ASP 73 THR 74 LEU 75 ILE
76 LEU 77 SER 78 LYS 79 LYS 80 LYS
81 GLY 82 SER 83 GLY 84 PRO 85 SER
86 SER 87 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-31
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 1WH3 "Solution Structure Of C-Terminal Ubiquitin Like Domain Of Human 2'-5'-Oligoadenylate Synthetase-Like Protain (P59 Oasl)" 100.00 87 100.00 100.00 3.69e-51
DBJ BAK62869 "59 kDa 2'-5'-oligoadenylate synthetase-like protein [Pan troglodytes]" 83.91 514 100.00 100.00 5.33e-42
REF NP_001267398 "2'-5'-oligoadenylate synthase-like protein [Pan troglodytes]" 83.91 514 100.00 100.00 5.33e-42
REF XP_003907322 "PREDICTED: 2'-5'-oligoadenylate synthase-like protein [Papio anubis]" 83.91 515 97.26 98.63 1.66e-38
REF XP_004054078 "PREDICTED: 2'-5'-oligoadenylate synthase-like protein isoform 1 [Gorilla gorilla gorilla]" 87.36 514 97.37 97.37 4.60e-41
REF XP_004054079 "PREDICTED: 2'-5'-oligoadenylate synthase-like protein isoform 2 [Gorilla gorilla gorilla]" 87.36 384 97.37 97.37 1.41e-41
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 P040301-13
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 1.1 mM '[U-13C; U-15N]'
'd-Tris HCl' 20 mM .
NaCl 100 mM .
d-DTT 1 mM .
NaN3 0.02 % .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name xwinnmr
_Version 2.6
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_software_2
_Saveframe_category software
_Name NMRPipe
_Version 20031121
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 0.8994
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_software_5
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_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' 120 0.1 mM
pH 7.5 0.05 pH
pressure 1 0.001 atm
temperature 296 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS 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 '59 kDa 2'-5'-oligoadenylate synthetase like protein'
_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 6 6 SER HA H 4.482 0.030 1
2 6 6 SER HB2 H 3.846 0.030 2
3 6 6 SER C C 174.264 0.300 1
4 6 6 SER CA C 58.407 0.300 1
5 6 6 SER CB C 63.880 0.300 1
6 7 7 GLY H H 8.152 0.030 1
7 7 7 GLY HA2 H 4.041 0.030 2
8 7 7 GLY HA3 H 3.887 0.030 2
9 7 7 GLY C C 173.289 0.300 1
10 7 7 GLY CA C 45.216 0.300 1
11 7 7 GLY N N 109.587 0.300 1
12 8 8 ILE H H 8.443 0.030 1
13 8 8 ILE HA H 4.695 0.030 1
14 8 8 ILE HB H 1.802 0.030 1
15 8 8 ILE HG12 H 1.177 0.030 2
16 8 8 ILE HG13 H 0.836 0.030 2
17 8 8 ILE HG2 H 0.923 0.030 1
18 8 8 ILE HD1 H 0.509 0.030 1
19 8 8 ILE C C 174.240 0.300 1
20 8 8 ILE CA C 59.847 0.300 1
21 8 8 ILE CB C 41.984 0.300 1
22 8 8 ILE CG1 C 25.797 0.300 1
23 8 8 ILE CG2 C 18.215 0.300 1
24 8 8 ILE CD1 C 13.418 0.300 1
25 8 8 ILE N N 115.361 0.300 1
26 9 9 GLN H H 8.771 0.030 1
27 9 9 GLN HA H 5.259 0.030 1
28 9 9 GLN HB2 H 1.770 0.030 2
29 9 9 GLN HB3 H 1.721 0.030 2
30 9 9 GLN HG2 H 1.872 0.030 2
31 9 9 GLN HG3 H 1.754 0.030 2
32 9 9 GLN HE21 H 7.153 0.030 2
33 9 9 GLN HE22 H 6.612 0.030 2
34 9 9 GLN C C 175.109 0.300 1
35 9 9 GLN CA C 54.157 0.300 1
36 9 9 GLN CB C 31.238 0.300 1
37 9 9 GLN CG C 34.473 0.300 1
38 9 9 GLN N N 121.507 0.300 1
39 9 9 GLN NE2 N 110.837 0.300 1
40 10 10 VAL H H 8.719 0.030 1
41 10 10 VAL HA H 4.612 0.030 1
42 10 10 VAL HB H 1.921 0.030 1
43 10 10 VAL HG1 H 0.644 0.030 1
44 10 10 VAL HG2 H 0.635 0.030 1
45 10 10 VAL C C 173.976 0.300 1
46 10 10 VAL CA C 58.973 0.300 1
47 10 10 VAL CB C 34.913 0.300 1
48 10 10 VAL CG1 C 21.905 0.300 2
49 10 10 VAL CG2 C 19.243 0.300 2
50 10 10 VAL N N 117.931 0.300 1
51 11 11 PHE H H 8.907 0.030 1
52 11 11 PHE HA H 5.381 0.030 1
53 11 11 PHE HB2 H 3.169 0.030 2
54 11 11 PHE HB3 H 2.810 0.030 2
55 11 11 PHE HD1 H 6.948 0.030 1
56 11 11 PHE HD2 H 6.948 0.030 1
57 11 11 PHE HE1 H 7.229 0.030 1
58 11 11 PHE HE2 H 7.229 0.030 1
59 11 11 PHE HZ H 7.181 0.030 1
60 11 11 PHE C C 175.437 0.300 1
61 11 11 PHE CA C 56.500 0.300 1
62 11 11 PHE CB C 40.919 0.300 1
63 11 11 PHE CD1 C 131.492 0.300 1
64 11 11 PHE CD2 C 131.492 0.300 1
65 11 11 PHE CE1 C 131.092 0.300 1
66 11 11 PHE CE2 C 131.092 0.300 1
67 11 11 PHE CZ C 129.627 0.300 1
68 11 11 PHE N N 120.682 0.300 1
69 12 12 VAL H H 9.416 0.030 1
70 12 12 VAL HA H 4.832 0.030 1
71 12 12 VAL HB H 2.292 0.030 1
72 12 12 VAL HG1 H 0.848 0.030 1
73 12 12 VAL HG2 H 0.862 0.030 1
74 12 12 VAL C C 175.726 0.300 1
75 12 12 VAL CA C 61.139 0.300 1
76 12 12 VAL CB C 34.120 0.300 1
77 12 12 VAL CG1 C 23.267 0.300 2
78 12 12 VAL CG2 C 21.883 0.300 2
79 12 12 VAL N N 122.021 0.300 1
80 13 13 LYS H H 9.253 0.030 1
81 13 13 LYS HA H 4.994 0.030 1
82 13 13 LYS HB2 H 1.884 0.030 2
83 13 13 LYS HB3 H 1.594 0.030 2
84 13 13 LYS HG2 H 1.425 0.030 2
85 13 13 LYS HG3 H 1.324 0.030 2
86 13 13 LYS HD2 H 1.610 0.030 2
87 13 13 LYS HE2 H 2.920 0.030 1
88 13 13 LYS HE3 H 2.920 0.030 1
89 13 13 LYS C C 175.079 0.300 1
90 13 13 LYS CA C 55.372 0.300 1
91 13 13 LYS CB C 34.400 0.300 1
92 13 13 LYS CG C 24.736 0.300 1
93 13 13 LYS CD C 29.535 0.300 1
94 13 13 LYS CE C 42.060 0.300 1
95 13 13 LYS N N 130.777 0.300 1
96 14 14 ASN H H 8.866 0.030 1
97 14 14 ASN HA H 5.235 0.030 1
98 14 14 ASN HB2 H 2.998 0.030 2
99 14 14 ASN HB3 H 2.950 0.030 2
100 14 14 ASN HD21 H 7.691 0.030 2
101 14 14 ASN HD22 H 6.758 0.030 2
102 14 14 ASN C C 176.034 0.300 1
103 14 14 ASN CA C 51.643 0.300 1
104 14 14 ASN CB C 39.195 0.300 1
105 14 14 ASN N N 125.495 0.300 1
106 14 14 ASN ND2 N 111.508 0.300 1
107 15 15 PRO HA H 4.425 0.030 1
108 15 15 PRO HB2 H 2.470 0.030 2
109 15 15 PRO HB3 H 1.967 0.030 2
110 15 15 PRO HG2 H 2.062 0.030 2
111 15 15 PRO HD2 H 3.896 0.030 2
112 15 15 PRO HD3 H 3.782 0.030 2
113 15 15 PRO C C 177.015 0.300 1
114 15 15 PRO CA C 65.296 0.300 1
115 15 15 PRO CB C 32.039 0.300 1
116 15 15 PRO CG C 27.800 0.300 1
117 15 15 PRO CD C 50.794 0.300 1
118 16 16 ASP H H 7.962 0.030 1
119 16 16 ASP HA H 4.606 0.030 1
120 16 16 ASP HB2 H 2.863 0.030 2
121 16 16 ASP HB3 H 2.745 0.030 2
122 16 16 ASP C C 176.726 0.300 1
123 16 16 ASP CA C 54.046 0.300 1
124 16 16 ASP CB C 40.404 0.300 1
125 16 16 ASP N N 114.456 0.300 1
126 17 17 GLY H H 8.229 0.030 1
127 17 17 GLY HA2 H 4.398 0.030 2
128 17 17 GLY HA3 H 3.652 0.030 2
129 17 17 GLY C C 174.765 0.300 1
130 17 17 GLY CA C 45.216 0.300 1
131 17 17 GLY N N 108.972 0.300 1
132 18 18 GLY H H 8.420 0.030 1
133 18 18 GLY HA2 H 4.110 0.030 2
134 18 18 GLY HA3 H 3.855 0.030 2
135 18 18 GLY C C 172.349 0.300 1
136 18 18 GLY CA C 44.987 0.300 1
137 18 18 GLY N N 110.975 0.300 1
138 19 19 SER H H 8.137 0.030 1
139 19 19 SER HA H 5.446 0.030 1
140 19 19 SER HB2 H 3.605 0.030 2
141 19 19 SER HB3 H 3.556 0.030 2
142 19 19 SER C C 173.360 0.300 1
143 19 19 SER CA C 57.244 0.300 1
144 19 19 SER CB C 65.517 0.300 1
145 19 19 SER N N 115.044 0.300 1
146 20 20 TYR H H 8.455 0.030 1
147 20 20 TYR HA H 4.639 0.030 1
148 20 20 TYR HB2 H 2.859 0.030 2
149 20 20 TYR HB3 H 2.786 0.030 2
150 20 20 TYR HD1 H 7.002 0.030 1
151 20 20 TYR HD2 H 7.002 0.030 1
152 20 20 TYR HE1 H 6.713 0.030 1
153 20 20 TYR HE2 H 6.713 0.030 1
154 20 20 TYR C C 173.542 0.300 1
155 20 20 TYR CA C 57.100 0.300 1
156 20 20 TYR CB C 42.283 0.300 1
157 20 20 TYR CD1 C 133.414 0.300 1
158 20 20 TYR CD2 C 133.414 0.300 1
159 20 20 TYR CE1 C 117.778 0.300 1
160 20 20 TYR CE2 C 117.778 0.300 1
161 20 20 TYR N N 124.314 0.300 1
162 21 21 ALA H H 8.189 0.030 1
163 21 21 ALA HA H 4.871 0.030 1
164 21 21 ALA HB H 0.983 0.030 1
165 21 21 ALA C C 176.706 0.300 1
166 21 21 ALA CA C 50.899 0.300 1
167 21 21 ALA CB C 20.662 0.300 1
168 21 21 ALA N N 125.277 0.300 1
169 22 22 TYR H H 8.950 0.030 1
170 22 22 TYR HA H 4.451 0.030 1
171 22 22 TYR HB2 H 2.619 0.030 2
172 22 22 TYR HB3 H 2.301 0.030 2
173 22 22 TYR HD1 H 7.010 0.030 1
174 22 22 TYR HD2 H 7.010 0.030 1
175 22 22 TYR HE1 H 6.492 0.030 1
176 22 22 TYR HE2 H 6.492 0.030 1
177 22 22 TYR C C 173.613 0.300 1
178 22 22 TYR CA C 57.776 0.300 1
179 22 22 TYR CB C 42.004 0.300 1
180 22 22 TYR CD1 C 133.340 0.300 1
181 22 22 TYR CD2 C 133.340 0.300 1
182 22 22 TYR CE1 C 118.249 0.300 1
183 22 22 TYR CE2 C 118.249 0.300 1
184 22 22 TYR N N 120.457 0.300 1
185 23 23 ALA H H 8.772 0.030 1
186 23 23 ALA HA H 5.100 0.030 1
187 23 23 ALA HB H 1.277 0.030 1
188 23 23 ALA C C 177.221 0.300 1
189 23 23 ALA CA C 50.680 0.300 1
190 23 23 ALA CB C 19.430 0.300 1
191 23 23 ALA N N 125.907 0.300 1
192 24 24 ILE H H 8.970 0.030 1
193 24 24 ILE HA H 4.560 0.030 1
194 24 24 ILE HB H 1.639 0.030 1
195 24 24 ILE HG12 H 1.215 0.030 2
196 24 24 ILE HG13 H 1.390 0.030 2
197 24 24 ILE HG2 H 0.641 0.030 1
198 24 24 ILE HD1 H 0.702 0.030 1
199 24 24 ILE C C 173.198 0.300 1
200 24 24 ILE CA C 58.950 0.300 1
201 24 24 ILE CB C 41.978 0.300 1
202 24 24 ILE CG1 C 27.560 0.300 1
203 24 24 ILE CG2 C 16.847 0.300 1
204 24 24 ILE CD1 C 14.859 0.300 1
205 24 24 ILE N N 121.782 0.300 1
206 25 25 ASN H H 8.509 0.030 1
207 25 25 ASN HA H 4.862 0.030 1
208 25 25 ASN HB2 H 2.823 0.030 2
209 25 25 ASN HB3 H 2.794 0.030 2
210 25 25 ASN HD21 H 7.755 0.030 2
211 25 25 ASN HD22 H 7.079 0.030 2
212 25 25 ASN C C 175.508 0.300 1
213 25 25 ASN CA C 51.484 0.300 1
214 25 25 ASN CB C 38.963 0.300 1
215 25 25 ASN N N 125.255 0.300 1
216 25 25 ASN ND2 N 113.925 0.300 1
217 26 26 PRO HA H 4.143 0.030 1
218 26 26 PRO HB2 H 2.157 0.030 2
219 26 26 PRO HB3 H 1.981 0.030 2
220 26 26 PRO HG2 H 1.985 0.030 1
221 26 26 PRO HG3 H 1.985 0.030 1
222 26 26 PRO HD2 H 3.873 0.030 2
223 26 26 PRO HD3 H 3.702 0.030 2
224 26 26 PRO C C 175.862 0.300 1
225 26 26 PRO CA C 64.675 0.300 1
226 26 26 PRO CB C 31.832 0.300 1
227 26 26 PRO CG C 27.340 0.300 1
228 26 26 PRO CD C 51.135 0.300 1
229 27 27 ASN H H 8.526 0.030 1
230 27 27 ASN HA H 4.747 0.030 1
231 27 27 ASN HB2 H 2.808 0.030 2
232 27 27 ASN HB3 H 2.636 0.030 2
233 27 27 ASN HD21 H 7.586 0.030 2
234 27 27 ASN HD22 H 6.945 0.030 2
235 27 27 ASN C C 175.311 0.300 1
236 27 27 ASN CA C 52.988 0.300 1
237 27 27 ASN CB C 38.442 0.300 1
238 27 27 ASN N N 115.181 0.300 1
239 27 27 ASN ND2 N 113.635 0.300 1
240 28 28 SER H H 7.688 0.030 1
241 28 28 SER HA H 4.192 0.030 1
242 28 28 SER HB2 H 3.929 0.030 2
243 28 28 SER HB3 H 3.893 0.030 2
244 28 28 SER C C 173.467 0.300 1
245 28 28 SER CA C 58.870 0.300 1
246 28 28 SER CB C 64.539 0.300 1
247 28 28 SER N N 115.319 0.300 1
248 29 29 PHE H H 8.427 0.030 1
249 29 29 PHE HA H 4.998 0.030 1
250 29 29 PHE HB2 H 3.615 0.030 2
251 29 29 PHE HB3 H 2.946 0.030 2
252 29 29 PHE HD1 H 7.183 0.030 1
253 29 29 PHE HD2 H 7.183 0.030 1
254 29 29 PHE HE1 H 7.459 0.030 1
255 29 29 PHE HE2 H 7.459 0.030 1
256 29 29 PHE HZ H 7.396 0.030 1
257 29 29 PHE C C 178.896 0.300 1
258 29 29 PHE CA C 57.137 0.300 1
259 29 29 PHE CB C 39.306 0.300 1
260 29 29 PHE CD1 C 131.088 0.300 1
261 29 29 PHE CD2 C 131.088 0.300 1
262 29 29 PHE CE1 C 131.768 0.300 1
263 29 29 PHE CE2 C 131.768 0.300 1
264 29 29 PHE CZ C 129.961 0.300 1
265 29 29 PHE N N 119.599 0.300 1
266 30 30 ILE H H 8.821 0.030 1
267 30 30 ILE HA H 3.596 0.030 1
268 30 30 ILE HB H 2.549 0.030 1
269 30 30 ILE HG12 H 1.730 0.030 2
270 30 30 ILE HG13 H 1.378 0.030 2
271 30 30 ILE HG2 H 0.602 0.030 1
272 30 30 ILE HD1 H 0.592 0.030 1
273 30 30 ILE C C 178.610 0.300 1
274 30 30 ILE CA C 62.834 0.300 1
275 30 30 ILE CB C 34.842 0.300 1
276 30 30 ILE CG1 C 28.026 0.300 1
277 30 30 ILE CG2 C 17.601 0.300 1
278 30 30 ILE CD1 C 10.744 0.300 1
279 30 30 ILE N N 125.277 0.300 1
280 31 31 LEU H H 8.572 0.030 1
281 31 31 LEU HA H 3.789 0.030 1
282 31 31 LEU HB2 H 1.622 0.030 2
283 31 31 LEU HB3 H 1.354 0.030 2
284 31 31 LEU HG H 1.633 0.030 1
285 31 31 LEU HD1 H 0.793 0.030 1
286 31 31 LEU HD2 H 0.803 0.030 1
287 31 31 LEU C C 177.656 0.300 1
288 31 31 LEU CA C 58.064 0.300 1
289 31 31 LEU CB C 42.258 0.300 1
290 31 31 LEU CG C 26.379 0.300 1
291 31 31 LEU CD1 C 25.626 0.300 2
292 31 31 LEU CD2 C 23.431 0.300 2
293 31 31 LEU N N 119.812 0.300 1
294 32 32 GLY H H 7.529 0.030 1
295 32 32 GLY HA2 H 3.941 0.030 1
296 32 32 GLY HA3 H 3.941 0.030 1
297 32 32 GLY C C 176.928 0.300 1
298 32 32 GLY CA C 46.756 0.300 1
299 32 32 GLY N N 103.817 0.300 1
300 33 33 LEU H H 7.220 0.030 1
301 33 33 LEU HA H 4.118 0.030 1
302 33 33 LEU HB2 H 1.892 0.030 2
303 33 33 LEU HB3 H 1.223 0.030 2
304 33 33 LEU HG H 1.221 0.030 1
305 33 33 LEU HD1 H 0.412 0.030 1
306 33 33 LEU HD2 H 0.535 0.030 1
307 33 33 LEU C C 177.990 0.300 1
308 33 33 LEU CA C 57.378 0.300 1
309 33 33 LEU CB C 40.782 0.300 1
310 33 33 LEU CG C 26.905 0.300 1
311 33 33 LEU CD1 C 21.991 0.300 2
312 33 33 LEU CD2 C 27.237 0.300 2
313 33 33 LEU N N 124.018 0.300 1
314 34 34 LYS H H 7.901 0.030 1
315 34 34 LYS HA H 4.556 0.030 1
316 34 34 LYS HB2 H 1.889 0.030 2
317 34 34 LYS HB3 H 1.431 0.030 2
318 34 34 LYS HG2 H 1.410 0.030 2
319 34 34 LYS HG3 H 1.269 0.030 2
320 34 34 LYS HD2 H 1.635 0.030 2
321 34 34 LYS HD3 H 1.505 0.030 2
322 34 34 LYS HE2 H 2.468 0.030 2
323 34 34 LYS HE3 H 2.379 0.030 2
324 34 34 LYS C C 180.102 0.300 1
325 34 34 LYS CA C 59.374 0.300 1
326 34 34 LYS CB C 32.997 0.300 1
327 34 34 LYS CG C 26.687 0.300 1
328 34 34 LYS CD C 30.201 0.300 1
329 34 34 LYS CE C 42.565 0.300 1
330 34 34 LYS N N 117.519 0.300 1
331 35 35 GLN H H 8.447 0.030 1
332 35 35 GLN HA H 3.744 0.030 1
333 35 35 GLN HB2 H 2.325 0.030 2
334 35 35 GLN HB3 H 2.198 0.030 2
335 35 35 GLN HG2 H 2.403 0.030 2
336 35 35 GLN HG3 H 2.303 0.030 2
337 35 35 GLN HE21 H 7.972 0.030 2
338 35 35 GLN HE22 H 7.096 0.030 2
339 35 35 GLN C C 177.090 0.300 1
340 35 35 GLN CA C 58.480 0.300 1
341 35 35 GLN CB C 28.411 0.300 1
342 35 35 GLN CG C 33.481 0.300 1
343 35 35 GLN N N 119.674 0.300 1
344 35 35 GLN NE2 N 119.388 0.300 1
345 36 36 GLN H H 7.426 0.030 1
346 36 36 GLN HA H 4.262 0.030 1
347 36 36 GLN HB2 H 2.394 0.030 2
348 36 36 GLN HB3 H 2.108 0.030 2
349 36 36 GLN HG2 H 2.709 0.030 2
350 36 36 GLN HG3 H 2.416 0.030 2
351 36 36 GLN HE21 H 7.361 0.030 2
352 36 36 GLN HE22 H 7.126 0.030 2
353 36 36 GLN C C 179.102 0.300 1
354 36 36 GLN CA C 60.467 0.300 1
355 36 36 GLN CB C 29.628 0.300 1
356 36 36 GLN CG C 35.375 0.300 1
357 36 36 GLN N N 118.728 0.300 1
358 36 36 GLN NE2 N 109.616 0.300 1
359 37 37 ILE H H 8.081 0.030 1
360 37 37 ILE HA H 3.889 0.030 1
361 37 37 ILE HB H 1.966 0.030 1
362 37 37 ILE HG12 H 0.530 0.030 2
363 37 37 ILE HG13 H 1.096 0.030 2
364 37 37 ILE HG2 H 0.658 0.030 1
365 37 37 ILE HD1 H 0.602 0.030 1
366 37 37 ILE C C 178.819 0.300 1
367 37 37 ILE CA C 64.865 0.300 1
368 37 37 ILE CB C 37.419 0.300 1
369 37 37 ILE CG1 C 28.486 0.300 1
370 37 37 ILE CG2 C 17.214 0.300 1
371 37 37 ILE CD1 C 15.544 0.300 1
372 37 37 ILE N N 121.507 0.300 1
373 38 38 GLU H H 8.500 0.030 1
374 38 38 GLU HA H 3.828 0.030 1
375 38 38 GLU HB2 H 2.120 0.030 2
376 38 38 GLU HB3 H 1.974 0.030 2
377 38 38 GLU HG2 H 1.967 0.030 2
378 38 38 GLU HG3 H 1.928 0.030 2
379 38 38 GLU C C 179.618 0.300 1
380 38 38 GLU CA C 59.963 0.300 1
381 38 38 GLU CB C 29.642 0.300 1
382 38 38 GLU CG C 36.705 0.300 1
383 38 38 GLU N N 123.707 0.300 1
384 39 39 ASP H H 8.532 0.030 1
385 39 39 ASP HA H 4.319 0.030 1
386 39 39 ASP HB2 H 2.887 0.030 2
387 39 39 ASP HB3 H 2.722 0.030 2
388 39 39 ASP C C 177.818 0.300 1
389 39 39 ASP CA C 57.449 0.300 1
390 39 39 ASP CB C 40.567 0.300 1
391 39 39 ASP N N 119.655 0.300 1
392 40 40 GLN H H 8.234 0.030 1
393 40 40 GLN HA H 4.329 0.030 1
394 40 40 GLN HB2 H 2.292 0.030 1
395 40 40 GLN HB3 H 2.292 0.030 1
396 40 40 GLN HG2 H 2.424 0.030 2
397 40 40 GLN HG3 H 2.310 0.030 2
398 40 40 GLN HE21 H 7.457 0.030 2
399 40 40 GLN HE22 H 6.678 0.030 2
400 40 40 GLN C C 177.332 0.300 1
401 40 40 GLN CA C 57.988 0.300 1
402 40 40 GLN CB C 30.089 0.300 1
403 40 40 GLN CG C 34.146 0.300 1
404 40 40 GLN N N 116.362 0.300 1
405 40 40 GLN NE2 N 112.083 0.300 1
406 41 41 GLN H H 8.946 0.030 1
407 41 41 GLN HA H 4.452 0.030 1
408 41 41 GLN HB2 H 2.182 0.030 2
409 41 41 GLN HB3 H 1.925 0.030 2
410 41 41 GLN HG2 H 2.047 0.030 1
411 41 41 GLN HG3 H 2.047 0.030 1
412 41 41 GLN HE21 H 7.216 0.030 2
413 41 41 GLN HE22 H 6.148 0.030 2
414 41 41 GLN C C 177.505 0.300 1
415 41 41 GLN CA C 55.865 0.300 1
416 41 41 GLN CB C 30.412 0.300 1
417 41 41 GLN CG C 34.474 0.300 1
418 41 41 GLN N N 114.602 0.300 1
419 41 41 GLN NE2 N 109.571 0.300 1
420 42 42 GLY H H 7.902 0.030 1
421 42 42 GLY HA2 H 4.085 0.030 2
422 42 42 GLY HA3 H 3.889 0.030 2
423 42 42 GLY C C 173.572 0.300 1
424 42 42 GLY CA C 46.175 0.300 1
425 42 42 GLY N N 108.616 0.300 1
426 43 43 LEU H H 6.217 0.030 1
427 43 43 LEU HA H 4.704 0.030 1
428 43 43 LEU HB2 H 1.417 0.030 2
429 43 43 LEU HB3 H 1.323 0.030 2
430 43 43 LEU HG H 1.427 0.030 1
431 43 43 LEU HD1 H 0.761 0.030 1
432 43 43 LEU HD2 H 0.838 0.030 1
433 43 43 LEU C C 173.023 0.300 1
434 43 43 LEU CA C 51.552 0.300 1
435 43 43 LEU CB C 43.149 0.300 1
436 43 43 LEU CG C 26.658 0.300 1
437 43 43 LEU CD1 C 25.783 0.300 2
438 43 43 LEU CD2 C 24.570 0.300 2
439 43 43 LEU N N 122.028 0.300 1
440 44 44 PRO HA H 4.300 0.030 1
441 44 44 PRO HB2 H 2.431 0.030 2
442 44 44 PRO HB3 H 1.674 0.030 2
443 44 44 PRO HG2 H 2.057 0.030 2
444 44 44 PRO HG3 H 1.956 0.030 2
445 44 44 PRO HD2 H 4.300 0.030 2
446 44 44 PRO HD3 H 3.528 0.030 2
447 44 44 PRO C C 178.896 0.300 1
448 44 44 PRO CA C 63.100 0.300 1
449 44 44 PRO CB C 32.855 0.300 1
450 44 44 PRO CG C 28.047 0.300 1
451 44 44 PRO CD C 51.043 0.300 1
452 45 45 LYS H H 8.943 0.030 1
453 45 45 LYS HA H 3.985 0.030 1
454 45 45 LYS HB2 H 1.798 0.030 2
455 45 45 LYS HB3 H 1.516 0.030 2
456 45 45 LYS HG2 H 1.723 0.030 2
457 45 45 LYS HG3 H 1.276 0.030 2
458 45 45 LYS HD2 H 1.549 0.030 2
459 45 45 LYS HE2 H 3.087 0.030 2
460 45 45 LYS HE3 H 2.996 0.030 2
461 45 45 LYS C C 179.233 0.300 1
462 45 45 LYS CA C 60.676 0.300 1
463 45 45 LYS CB C 31.840 0.300 1
464 45 45 LYS CG C 22.858 0.300 1
465 45 45 LYS CD C 28.593 0.300 1
466 45 45 LYS CE C 40.105 0.300 1
467 45 45 LYS N N 123.778 0.300 1
468 46 46 LYS H H 8.654 0.030 1
469 46 46 LYS HA H 4.145 0.030 1
470 46 46 LYS HB2 H 1.876 0.030 2
471 46 46 LYS HB3 H 1.821 0.030 2
472 46 46 LYS HG2 H 1.447 0.030 2
473 46 46 LYS HE2 H 3.000 0.030 2
474 46 46 LYS C C 176.888 0.300 1
475 46 46 LYS CA C 58.451 0.300 1
476 46 46 LYS CB C 32.133 0.300 1
477 46 46 LYS CG C 25.192 0.300 1
478 46 46 LYS CD C 29.329 0.300 1
479 46 46 LYS CE C 42.012 0.300 1
480 46 46 LYS N N 115.869 0.300 1
481 47 47 GLN H H 7.961 0.030 1
482 47 47 GLN HA H 4.412 0.030 1
483 47 47 GLN HB2 H 2.456 0.030 2
484 47 47 GLN HB3 H 1.866 0.030 2
485 47 47 GLN HG2 H 2.397 0.030 2
486 47 47 GLN HG3 H 2.254 0.030 2
487 47 47 GLN HE21 H 7.508 0.030 2
488 47 47 GLN HE22 H 6.816 0.030 2
489 47 47 GLN C C 175.250 0.300 1
490 47 47 GLN CA C 55.518 0.300 1
491 47 47 GLN CB C 30.144 0.300 1
492 47 47 GLN CG C 34.747 0.300 1
493 47 47 GLN N N 115.594 0.300 1
494 47 47 GLN NE2 N 110.464 0.300 1
495 48 48 GLN H H 7.355 0.030 1
496 48 48 GLN HA H 4.176 0.030 1
497 48 48 GLN HB2 H 1.910 0.030 2
498 48 48 GLN HB3 H 1.806 0.030 2
499 48 48 GLN HG2 H 2.428 0.030 2
500 48 48 GLN HG3 H 1.755 0.030 2
501 48 48 GLN HE21 H 6.777 0.030 2
502 48 48 GLN HE22 H 6.559 0.030 2
503 48 48 GLN C C 175.402 0.300 1
504 48 48 GLN CA C 56.421 0.300 1
505 48 48 GLN CB C 31.354 0.300 1
506 48 48 GLN CG C 32.599 0.300 1
507 48 48 GLN N N 119.307 0.300 1
508 48 48 GLN NE2 N 104.914 0.300 1
509 49 49 GLN H H 8.791 0.030 1
510 49 49 GLN HA H 4.565 0.030 1
511 49 49 GLN HB2 H 2.088 0.030 2
512 49 49 GLN HB3 H 1.581 0.030 2
513 49 49 GLN HG2 H 2.131 0.030 2
514 49 49 GLN HG3 H 1.948 0.030 2
515 49 49 GLN HE21 H 7.571 0.030 2
516 49 49 GLN HE22 H 6.917 0.030 2
517 49 49 GLN C C 173.785 0.300 1
518 49 49 GLN CA C 54.698 0.300 1
519 49 49 GLN CB C 31.275 0.300 1
520 49 49 GLN CG C 34.472 0.300 1
521 49 49 GLN N N 123.352 0.300 1
522 49 49 GLN NE2 N 114.180 0.300 1
523 50 50 LEU H H 8.627 0.030 1
524 50 50 LEU HA H 5.453 0.030 1
525 50 50 LEU HB2 H 1.385 0.030 2
526 50 50 LEU HB3 H 1.107 0.030 2
527 50 50 LEU HG H 1.391 0.030 1
528 50 50 LEU HD1 H 0.639 0.030 1
529 50 50 LEU HD2 H 0.770 0.030 1
530 50 50 LEU C C 175.392 0.300 1
531 50 50 LEU CA C 52.612 0.300 1
532 50 50 LEU CB C 47.235 0.300 1
533 50 50 LEU CG C 26.912 0.300 1
534 50 50 LEU CD1 C 26.586 0.300 2
535 50 50 LEU CD2 C 24.391 0.300 2
536 50 50 LEU N N 126.232 0.300 1
537 51 51 GLU H H 8.813 0.030 1
538 51 51 GLU HA H 5.374 0.030 1
539 51 51 GLU HB2 H 1.767 0.030 1
540 51 51 GLU HB3 H 1.767 0.030 1
541 51 51 GLU HG2 H 1.990 0.030 2
542 51 51 GLU HG3 H 1.928 0.030 2
543 51 51 GLU C C 175.392 0.300 1
544 51 51 GLU CA C 53.981 0.300 1
545 51 51 GLU CB C 35.556 0.300 1
546 51 51 GLU CG C 37.371 0.300 1
547 51 51 GLU N N 119.994 0.300 1
548 52 52 PHE H H 8.564 0.030 1
549 52 52 PHE HA H 5.022 0.030 1
550 52 52 PHE HB2 H 3.009 0.030 2
551 52 52 PHE HB3 H 2.690 0.030 2
552 52 52 PHE HD1 H 7.309 0.030 1
553 52 52 PHE HD2 H 7.309 0.030 1
554 52 52 PHE HE1 H 7.353 0.030 1
555 52 52 PHE HE2 H 7.353 0.030 1
556 52 52 PHE C C 174.963 0.300 1
557 52 52 PHE CA C 56.947 0.300 1
558 52 52 PHE CB C 43.715 0.300 1
559 52 52 PHE CD1 C 131.931 0.300 1
560 52 52 PHE CD2 C 131.931 0.300 1
561 52 52 PHE CE1 C 131.969 0.300 1
562 52 52 PHE CE2 C 131.969 0.300 1
563 52 52 PHE N N 119.719 0.300 1
564 53 53 GLN H H 9.205 0.030 1
565 53 53 GLN HA H 3.602 0.030 1
566 53 53 GLN HB2 H 1.896 0.030 2
567 53 53 GLN HB3 H 1.494 0.030 2
568 53 53 GLN HG2 H 1.388 0.030 2
569 53 53 GLN HG3 H 1.061 0.030 2
570 53 53 GLN HE21 H 6.950 0.030 2
571 53 53 GLN HE22 H 6.796 0.030 2
572 53 53 GLN C C 175.988 0.300 1
573 53 53 GLN CA C 56.455 0.300 1
574 53 53 GLN CB C 25.990 0.300 1
575 53 53 GLN CG C 33.004 0.300 1
576 53 53 GLN N N 127.282 0.300 1
577 53 53 GLN NE2 N 111.772 0.300 1
578 54 54 GLY H H 8.825 0.030 1
579 54 54 GLY HA2 H 4.073 0.030 2
580 54 54 GLY HA3 H 3.596 0.030 2
581 54 54 GLY C C 173.855 0.300 1
582 54 54 GLY CA C 45.387 0.300 1
583 54 54 GLY N N 104.208 0.300 1
584 55 55 GLN H H 7.833 0.030 1
585 55 55 GLN HA H 4.612 0.030 1
586 55 55 GLN HB2 H 2.132 0.030 1
587 55 55 GLN HB3 H 2.132 0.030 1
588 55 55 GLN HG2 H 2.420 0.030 2
589 55 55 GLN HG3 H 2.357 0.030 2
590 55 55 GLN HE21 H 7.588 0.030 2
591 55 55 GLN HE22 H 7.294 0.030 2
592 55 55 GLN C C 174.765 0.300 1
593 55 55 GLN CA C 54.031 0.300 1
594 55 55 GLN CB C 31.340 0.300 1
595 55 55 GLN CG C 34.175 0.300 1
596 55 55 GLN N N 119.857 0.300 1
597 55 55 GLN NE2 N 111.593 0.300 1
598 56 56 VAL H H 8.589 0.030 1
599 56 56 VAL HA H 4.031 0.030 1
600 56 56 VAL HB H 1.868 0.030 1
601 56 56 VAL HG1 H 0.802 0.030 1
602 56 56 VAL HG2 H 0.885 0.030 1
603 56 56 VAL C C 176.059 0.300 1
604 56 56 VAL CA C 63.187 0.300 1
605 56 56 VAL CB C 31.524 0.300 1
606 56 56 VAL CG1 C 21.822 0.300 2
607 56 56 VAL CG2 C 22.043 0.300 2
608 56 56 VAL N N 124.279 0.300 1
609 57 57 LEU H H 8.411 0.030 1
610 57 57 LEU HA H 3.931 0.030 1
611 57 57 LEU HB2 H 1.324 0.030 2
612 57 57 LEU HB3 H 0.888 0.030 2
613 57 57 LEU HG H 1.248 0.030 1
614 57 57 LEU HD1 H 0.438 0.030 1
615 57 57 LEU HD2 H -0.249 0.030 1
616 57 57 LEU C C 176.362 0.300 1
617 57 57 LEU CA C 54.074 0.300 1
618 57 57 LEU CB C 40.980 0.300 1
619 57 57 LEU CG C 26.077 0.300 1
620 57 57 LEU CD1 C 26.257 0.300 2
621 57 57 LEU CD2 C 20.208 0.300 2
622 57 57 LEU N N 127.336 0.300 1
623 58 58 GLN H H 8.114 0.030 1
624 58 58 GLN HA H 4.249 0.030 1
625 58 58 GLN HB2 H 1.264 0.030 2
626 58 58 GLN HB3 H 0.993 0.030 2
627 58 58 GLN HG2 H 2.270 0.030 1
628 58 58 GLN HG3 H 2.270 0.030 1
629 58 58 GLN HE21 H 7.363 0.030 2
630 58 58 GLN HE22 H 6.915 0.030 2
631 58 58 GLN C C 176.746 0.300 1
632 58 58 GLN CA C 54.598 0.300 1
633 58 58 GLN CB C 28.619 0.300 1
634 58 58 GLN CG C 33.101 0.300 1
635 58 58 GLN N N 121.196 0.300 1
636 58 58 GLN NE2 N 112.587 0.300 1
637 59 59 ASP H H 8.037 0.030 1
638 59 59 ASP HA H 4.014 0.030 1
639 59 59 ASP HB2 H 2.534 0.030 2
640 59 59 ASP HB3 H 2.390 0.030 2
641 59 59 ASP C C 176.554 0.300 1
642 59 59 ASP CA C 57.714 0.300 1
643 59 59 ASP CB C 41.816 0.300 1
644 59 59 ASP N N 118.707 0.300 1
645 60 60 TRP H H 6.981 0.030 1
646 60 60 TRP HA H 4.586 0.030 1
647 60 60 TRP HB2 H 3.354 0.030 2
648 60 60 TRP HB3 H 3.188 0.030 2
649 60 60 TRP HD1 H 7.147 0.030 1
650 60 60 TRP HE1 H 10.370 0.030 1
651 60 60 TRP HE3 H 7.432 0.030 1
652 60 60 TRP HZ2 H 7.466 0.030 1
653 60 60 TRP HH2 H 7.212 0.030 1
654 60 60 TRP C C 174.300 0.300 1
655 60 60 TRP CA C 56.515 0.300 1
656 60 60 TRP CB C 27.516 0.300 1
657 60 60 TRP CD1 C 127.246 0.300 1
658 60 60 TRP CE3 C 120.243 0.300 1
659 60 60 TRP CZ2 C 114.904 0.300 1
660 60 60 TRP CZ3 C 122.724 0.300 1
661 60 60 TRP CH2 C 125.079 0.300 1
662 60 60 TRP N N 112.293 0.300 1
663 60 60 TRP NE1 N 130.641 0.300 1
664 61 61 LEU H H 7.187 0.030 1
665 61 61 LEU HA H 4.812 0.030 1
666 61 61 LEU HB2 H 1.797 0.030 2
667 61 61 LEU HB3 H 1.418 0.030 2
668 61 61 LEU HG H 0.990 0.030 1
669 61 61 LEU HD1 H 0.785 0.030 1
670 61 61 LEU HD2 H 0.929 0.030 1
671 61 61 LEU C C 176.261 0.300 1
672 61 61 LEU CA C 53.297 0.300 1
673 61 61 LEU CB C 44.224 0.300 1
674 61 61 LEU CG C 26.997 0.300 1
675 61 61 LEU CD1 C 24.802 0.300 2
676 61 61 LEU CD2 C 23.502 0.300 2
677 61 61 LEU N N 121.535 0.300 1
678 62 62 GLY H H 8.056 0.030 1
679 62 62 GLY HA2 H 4.598 0.030 2
680 62 62 GLY HA3 H 3.598 0.030 2
681 62 62 GLY C C 174.259 0.300 1
682 62 62 GLY CA C 44.393 0.300 1
683 62 62 GLY N N 106.062 0.300 1
684 63 63 LEU H H 8.027 0.030 1
685 63 63 LEU HA H 3.941 0.030 1
686 63 63 LEU HB2 H 1.660 0.030 2
687 63 63 LEU HB3 H 1.375 0.030 2
688 63 63 LEU HG H 1.660 0.030 1
689 63 63 LEU HD1 H 0.731 0.030 1
690 63 63 LEU HD2 H 0.623 0.030 1
691 63 63 LEU C C 179.880 0.300 1
692 63 63 LEU CA C 59.093 0.300 1
693 63 63 LEU CB C 41.811 0.300 1
694 63 63 LEU CG C 28.167 0.300 1
695 63 63 LEU CD1 C 26.334 0.300 2
696 63 63 LEU CD2 C 25.008 0.300 2
697 63 63 LEU N N 118.699 0.300 1
698 64 64 GLY H H 8.663 0.030 1
699 64 64 GLY HA2 H 3.909 0.030 2
700 64 64 GLY HA3 H 3.872 0.030 2
701 64 64 GLY C C 177.818 0.300 1
702 64 64 GLY CA C 46.928 0.300 1
703 64 64 GLY N N 103.739 0.300 1
704 65 65 ILE H H 7.523 0.030 1
705 65 65 ILE HA H 3.907 0.030 1
706 65 65 ILE HB H 1.891 0.030 1
707 65 65 ILE HG12 H 1.391 0.030 1
708 65 65 ILE HG13 H 1.391 0.030 1
709 65 65 ILE HG2 H 0.522 0.030 1
710 65 65 ILE HD1 H 0.748 0.030 1
711 65 65 ILE C C 177.384 0.300 1
712 65 65 ILE CA C 61.652 0.300 1
713 65 65 ILE CB C 36.560 0.300 1
714 65 65 ILE CG1 C 28.619 0.300 1
715 65 65 ILE CG2 C 17.479 0.300 1
716 65 65 ILE CD1 C 11.567 0.300 1
717 65 65 ILE N N 122.512 0.300 1
718 66 66 TYR H H 7.068 0.030 1
719 66 66 TYR HA H 4.519 0.030 1
720 66 66 TYR HB2 H 3.330 0.030 2
721 66 66 TYR HB3 H 2.672 0.030 2
722 66 66 TYR HD1 H 7.164 0.030 1
723 66 66 TYR HD2 H 7.164 0.030 1
724 66 66 TYR HE1 H 6.735 0.030 1
725 66 66 TYR HE2 H 6.735 0.030 1
726 66 66 TYR C C 175.867 0.300 1
727 66 66 TYR CA C 58.909 0.300 1
728 66 66 TYR CB C 39.786 0.300 1
729 66 66 TYR CD1 C 133.430 0.300 1
730 66 66 TYR CD2 C 133.430 0.300 1
731 66 66 TYR CE1 C 118.952 0.300 1
732 66 66 TYR CE2 C 118.952 0.300 1
733 66 66 TYR N N 117.294 0.300 1
734 67 67 GLY H H 7.866 0.030 1
735 67 67 GLY HA2 H 4.090 0.030 2
736 67 67 GLY HA3 H 3.814 0.030 2
737 67 67 GLY C C 174.139 0.300 1
738 67 67 GLY CA C 46.038 0.300 1
739 67 67 GLY N N 106.705 0.300 1
740 68 68 ILE H H 6.649 0.030 1
741 68 68 ILE HA H 3.460 0.030 1
742 68 68 ILE HB H 1.201 0.030 1
743 68 68 ILE HG12 H 0.951 0.030 2
744 68 68 ILE HG13 H -0.519 0.030 2
745 68 68 ILE HG2 H 0.517 0.030 1
746 68 68 ILE HD1 H 0.477 0.030 1
747 68 68 ILE C C 174.199 0.300 1
748 68 68 ILE CA C 62.130 0.300 1
749 68 68 ILE CB C 38.201 0.300 1
750 68 68 ILE CG1 C 28.551 0.300 1
751 68 68 ILE CG2 C 17.935 0.300 1
752 68 68 ILE CD1 C 14.721 0.300 1
753 68 68 ILE N N 120.819 0.300 1
754 69 69 GLN H H 9.655 0.030 1
755 69 69 GLN HA H 4.483 0.030 1
756 69 69 GLN HB2 H 2.113 0.030 2
757 69 69 GLN HB3 H 1.939 0.030 2
758 69 69 GLN HG2 H 2.415 0.030 2
759 69 69 GLN HG3 H 2.306 0.030 2
760 69 69 GLN HE21 H 7.700 0.030 2
761 69 69 GLN HE22 H 6.787 0.030 2
762 69 69 GLN C C 173.977 0.300 1
763 69 69 GLN CA C 53.365 0.300 1
764 69 69 GLN CB C 33.059 0.300 1
765 69 69 GLN CG C 33.817 0.300 1
766 69 69 GLN N N 128.170 0.300 1
767 69 69 GLN NE2 N 112.835 0.300 1
768 70 70 ASP H H 8.289 0.030 1
769 70 70 ASP HA H 4.424 0.030 1
770 70 70 ASP HB2 H 2.617 0.030 2
771 70 70 ASP HB3 H 2.577 0.030 2
772 70 70 ASP C C 177.292 0.300 1
773 70 70 ASP CA C 56.654 0.300 1
774 70 70 ASP CB C 43.188 0.300 1
775 70 70 ASP N N 116.831 0.300 1
776 71 71 SER H H 9.750 0.030 1
777 71 71 SER HA H 3.760 0.030 1
778 71 71 SER HB2 H 4.399 0.030 2
779 71 71 SER HB3 H 4.167 0.030 2
780 71 71 SER C C 173.212 0.300 1
781 71 71 SER CA C 61.516 0.300 1
782 71 71 SER CB C 61.762 0.300 1
783 71 71 SER N N 116.122 0.300 1
784 72 72 ASP H H 8.001 0.030 1
785 72 72 ASP HA H 4.984 0.030 1
786 72 72 ASP HB2 H 2.933 0.030 2
787 72 72 ASP HB3 H 2.532 0.030 2
788 72 72 ASP C C 174.997 0.300 1
789 72 72 ASP CA C 55.768 0.300 1
790 72 72 ASP CB C 42.498 0.300 1
791 72 72 ASP N N 121.369 0.300 1
792 73 73 THR H H 8.436 0.030 1
793 73 73 THR HA H 5.374 0.030 1
794 73 73 THR HB H 4.024 0.030 1
795 73 73 THR HG2 H 1.160 0.030 1
796 73 73 THR C C 173.623 0.300 1
797 73 73 THR CA C 62.449 0.300 1
798 73 73 THR CB C 70.725 0.300 1
799 73 73 THR CG2 C 21.967 0.300 1
800 73 73 THR N N 113.856 0.300 1
801 74 74 LEU H H 9.580 0.030 1
802 74 74 LEU HA H 5.051 0.030 1
803 74 74 LEU HB2 H 1.643 0.030 2
804 74 74 LEU HB3 H 1.525 0.030 2
805 74 74 LEU HG H 1.673 0.030 1
806 74 74 LEU HD1 H 0.622 0.030 1
807 74 74 LEU HD2 H 0.565 0.030 1
808 74 74 LEU C C 175.109 0.300 1
809 74 74 LEU CA C 53.434 0.300 1
810 74 74 LEU CB C 44.320 0.300 1
811 74 74 LEU CG C 29.123 0.300 1
812 74 74 LEU CD1 C 24.989 0.300 2
813 74 74 LEU CD2 C 25.481 0.300 2
814 74 74 LEU N N 128.171 0.300 1
815 75 75 ILE H H 8.875 0.030 1
816 75 75 ILE HA H 4.550 0.030 1
817 75 75 ILE HB H 1.913 0.030 1
818 75 75 ILE HG12 H 1.496 0.030 2
819 75 75 ILE HG13 H 1.376 0.030 2
820 75 75 ILE HG2 H 0.844 0.030 1
821 75 75 ILE HD1 H 0.796 0.030 1
822 75 75 ILE C C 175.599 0.300 1
823 75 75 ILE CA C 60.103 0.300 1
824 75 75 ILE CB C 38.792 0.300 1
825 75 75 ILE CG1 C 27.531 0.300 1
826 75 75 ILE CG2 C 17.706 0.300 1
827 75 75 ILE CD1 C 11.562 0.300 1
828 75 75 ILE N N 120.682 0.300 1
829 76 76 LEU H H 8.638 0.030 1
830 76 76 LEU HA H 5.338 0.030 1
831 76 76 LEU HB2 H 1.898 0.030 2
832 76 76 LEU HB3 H 1.159 0.030 2
833 76 76 LEU HG H 1.261 0.030 1
834 76 76 LEU HD1 H 0.847 0.030 1
835 76 76 LEU HD2 H 0.796 0.030 1
836 76 76 LEU C C 174.659 0.300 1
837 76 76 LEU CA C 53.677 0.300 1
838 76 76 LEU CB C 44.420 0.300 1
839 76 76 LEU CG C 27.540 0.300 1
840 76 76 LEU CD1 C 23.284 0.300 2
841 76 76 LEU CD2 C 26.603 0.300 2
842 76 76 LEU N N 131.408 0.300 1
843 77 77 SER H H 9.260 0.030 1
844 77 77 SER HA H 4.593 0.030 1
845 77 77 SER HB2 H 3.767 0.030 1
846 77 77 SER HB3 H 3.767 0.030 1
847 77 77 SER C C 172.288 0.300 1
848 77 77 SER CA C 56.699 0.300 1
849 77 77 SER CB C 65.839 0.300 1
850 77 77 SER N N 119.821 0.300 1
851 78 78 LYS H H 8.528 0.030 1
852 78 78 LYS HA H 4.821 0.030 1
853 78 78 LYS HB2 H 1.781 0.030 2
854 78 78 LYS HB3 H 1.621 0.030 2
855 78 78 LYS HG2 H 1.409 0.030 2
856 78 78 LYS HE2 H 2.926 0.030 2
857 78 78 LYS C C 177.161 0.300 1
858 78 78 LYS CA C 55.180 0.300 1
859 78 78 LYS CB C 33.448 0.300 1
860 78 78 LYS CG C 25.557 0.300 1
861 78 78 LYS CD C 29.466 0.300 1
862 78 78 LYS CE C 42.066 0.300 1
863 78 78 LYS N N 120.233 0.300 1
864 79 79 LYS H H 8.610 0.030 1
865 79 79 LYS HA H 4.094 0.030 1
866 79 79 LYS HB2 H 1.723 0.030 2
867 79 79 LYS HB3 H 1.474 0.030 2
868 79 79 LYS HG2 H 1.285 0.030 2
869 79 79 LYS HG3 H 1.271 0.030 2
870 79 79 LYS HD2 H 1.633 0.030 2
871 79 79 LYS HE2 H 2.918 0.030 2
872 79 79 LYS C C 176.423 0.300 1
873 79 79 LYS CA C 56.584 0.300 1
874 79 79 LYS CB C 33.746 0.300 1
875 79 79 LYS CG C 25.423 0.300 1
876 79 79 LYS CD C 29.329 0.300 1
877 79 79 LYS CE C 42.085 0.300 1
878 79 79 LYS N N 126.732 0.300 1
879 80 80 LYS H H 8.607 0.030 1
880 80 80 LYS HA H 4.266 0.030 1
881 80 80 LYS HB2 H 1.825 0.030 2
882 80 80 LYS HB3 H 1.762 0.030 2
883 80 80 LYS HG2 H 1.448 0.030 2
884 80 80 LYS HD2 H 1.681 0.030 2
885 80 80 LYS HE2 H 2.991 0.030 2
886 80 80 LYS C C 177.246 0.300 1
887 80 80 LYS CA C 56.680 0.300 1
888 80 80 LYS CB C 33.142 0.300 1
889 80 80 LYS CG C 24.833 0.300 1
890 80 80 LYS CD C 29.219 0.300 1
891 80 80 LYS CE C 42.149 0.300 1
892 80 80 LYS N N 124.532 0.300 1
893 83 83 GLY HA2 H 4.129 0.030 2
894 83 83 GLY CA C 44.636 0.300 1
895 84 84 PRO HA H 4.461 0.030 1
896 84 84 PRO HB2 H 2.303 0.030 2
897 84 84 PRO HB3 H 1.970 0.030 2
898 84 84 PRO HG2 H 2.016 0.030 2
899 84 84 PRO HD2 H 3.620 0.030 2
900 84 84 PRO CA C 63.320 0.300 1
901 84 84 PRO CB C 32.194 0.300 1
902 84 84 PRO CG C 27.102 0.300 1
903 84 84 PRO CD C 49.861 0.300 1
stop_
save_