data_11296
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the RWD domain of human ring finger protein 25
;
_BMRB_accession_number 11296
_BMRB_flat_file_name bmr11296.str
_Entry_type original
_Submission_date 2010-08-09
_Accession_date 2010-08-09
_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 Yoneyama M. . .
2 Kigawa T. . .
3 Sato M. . .
4 Tochio N. . .
5 Koshiba S. . .
6 Inoue M. . .
7 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" 537
"15N chemical shifts" 122
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-08-19 original author .
stop_
_Original_release_date 2011-08-19
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of the RWD domain of human ring finger protein 25'
_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 Yoneyama M. . .
2 Kigawa T. . .
3 Sato M. . .
4 Tochio N. . .
5 Koshiba S. . .
6 Inoue M. . .
7 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 'RING finger protein 25'
_Enzyme_commission_number E.C.6.3.2.-
loop_
_Mol_system_component_name
_Mol_label
'RWD domain' $entity_1
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'RWD domain'
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 128
_Mol_residue_sequence
;
GSSGSSGEEDWVLPSEVEVL
ESIYLDELQVIKGNGRTSPW
EIYITLHPATAEDQDSQYVC
FTLVLQVPAEYPHEVPQISI
RNPRGLSDEQIHTILQVLGH
VAKAGLGTAMLYELIEKGKE
ILSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 GLU 9 GLU 10 ASP
11 TRP 12 VAL 13 LEU 14 PRO 15 SER
16 GLU 17 VAL 18 GLU 19 VAL 20 LEU
21 GLU 22 SER 23 ILE 24 TYR 25 LEU
26 ASP 27 GLU 28 LEU 29 GLN 30 VAL
31 ILE 32 LYS 33 GLY 34 ASN 35 GLY
36 ARG 37 THR 38 SER 39 PRO 40 TRP
41 GLU 42 ILE 43 TYR 44 ILE 45 THR
46 LEU 47 HIS 48 PRO 49 ALA 50 THR
51 ALA 52 GLU 53 ASP 54 GLN 55 ASP
56 SER 57 GLN 58 TYR 59 VAL 60 CYS
61 PHE 62 THR 63 LEU 64 VAL 65 LEU
66 GLN 67 VAL 68 PRO 69 ALA 70 GLU
71 TYR 72 PRO 73 HIS 74 GLU 75 VAL
76 PRO 77 GLN 78 ILE 79 SER 80 ILE
81 ARG 82 ASN 83 PRO 84 ARG 85 GLY
86 LEU 87 SER 88 ASP 89 GLU 90 GLN
91 ILE 92 HIS 93 THR 94 ILE 95 LEU
96 GLN 97 VAL 98 LEU 99 GLY 100 HIS
101 VAL 102 ALA 103 LYS 104 ALA 105 GLY
106 LEU 107 GLY 108 THR 109 ALA 110 MET
111 LEU 112 TYR 113 GLU 114 LEU 115 ILE
116 GLU 117 LYS 118 GLY 119 LYS 120 GLU
121 ILE 122 LEU 123 SER 124 GLY 125 PRO
126 SER 127 SER 128 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
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 2DAY "Solution Structure Of The Rwd Domain Of Human Ring Finger Protein 25" 100.00 128 100.00 100.00 1.85e-85
DBJ BAB14743 "unnamed protein product [Homo sapiens]" 91.41 439 99.15 100.00 4.72e-74
DBJ BAD96245 "ring finger protein 25 variant [Homo sapiens]" 91.41 459 99.15 100.00 6.28e-74
DBJ BAF82190 "unnamed protein product [Homo sapiens]" 91.41 459 99.15 100.00 7.14e-74
DBJ BAI45678 "ring finger protein 25 [synthetic construct]" 91.41 459 99.15 100.00 7.14e-74
GB AAH15612 "Ring finger protein 25 [Homo sapiens]" 91.41 459 99.15 100.00 7.14e-74
GB ADZ15417 "ring finger protein 25 [synthetic construct]" 91.41 459 99.15 100.00 7.14e-74
GB AIC52126 "RNF25, partial [synthetic construct]" 91.41 459 99.15 100.00 7.14e-74
GB EAW70644 "ring finger protein 25, isoform CRA_d, partial [Homo sapiens]" 91.41 209 99.15 100.00 1.57e-76
GB EAW70645 "ring finger protein 25, isoform CRA_e [Homo sapiens]" 91.41 459 99.15 100.00 7.14e-74
REF NP_071898 "E3 ubiquitin-protein ligase RNF25 [Homo sapiens]" 91.41 459 99.15 100.00 7.14e-74
REF XP_002749840 "PREDICTED: E3 ubiquitin-protein ligase RNF25 [Callithrix jacchus]" 91.41 457 98.29 99.15 2.83e-73
REF XP_002812907 "PREDICTED: E3 ubiquitin-protein ligase RNF25 isoform X1 [Pongo abelii]" 91.41 459 99.15 100.00 7.38e-74
REF XP_003272415 "PREDICTED: E3 ubiquitin-protein ligase RNF25 [Nomascus leucogenys]" 91.41 459 99.15 100.00 1.22e-73
REF XP_003818674 "PREDICTED: E3 ubiquitin-protein ligase RNF25 isoform X1 [Pan paniscus]" 91.41 459 99.15 100.00 6.63e-74
SP Q96BH1 "RecName: Full=E3 ubiquitin-protein ligase RNF25; AltName: Full=RING finger protein 25" 91.41 459 99.15 100.00 7.14e-74
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P050509-01
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
0.72mM RWD domain {U-15N,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.72 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
d-DTT 1 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name xwinnmr
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
Bruker . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 20030801
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, F.' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRview
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
'Johnson, B. A.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_Kujira
_Saveframe_category software
_Name Kujira
_Version 0.9318
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi, N.' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
'Guntert, P.' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 800
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 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_
_Software_label
$XWINNMR
$NMRPipe
$NMRview
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 15N-separated NOESY'
'3D 13C-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'RWD domain'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 3 3 SER C C 175.094 0.300 1
2 3 3 SER CA C 58.708 0.300 1
3 3 3 SER CB C 63.725 0.300 1
4 4 4 GLY H H 8.490 0.030 1
5 4 4 GLY C C 174.341 0.300 1
6 4 4 GLY CA C 45.443 0.300 1
7 4 4 GLY N N 111.021 0.300 1
8 5 5 SER H H 8.287 0.030 1
9 5 5 SER C C 174.814 0.300 1
10 5 5 SER CA C 58.353 0.300 1
11 5 5 SER CB C 63.848 0.300 1
12 5 5 SER N N 115.904 0.300 1
13 6 6 SER H H 8.477 0.030 1
14 6 6 SER CA C 56.712 0.300 1
15 6 6 SER N N 122.700 0.300 1
16 7 7 GLY HA2 H 4.023 0.030 1
17 7 7 GLY HA3 H 4.023 0.030 1
18 7 7 GLY CA C 45.444 0.300 1
19 8 8 GLU H H 8.357 0.030 1
20 8 8 GLU HA H 4.317 0.030 1
21 8 8 GLU HB2 H 1.980 0.030 1
22 8 8 GLU HB3 H 1.980 0.030 1
23 8 8 GLU CA C 56.555 0.300 1
24 8 8 GLU CB C 30.429 0.300 1
25 8 8 GLU CG C 36.445 0.300 1
26 8 8 GLU N N 120.524 0.300 1
27 9 9 GLU H H 8.632 0.030 1
28 9 9 GLU HA H 4.328 0.030 1
29 9 9 GLU HB2 H 2.125 0.030 2
30 9 9 GLU HB3 H 2.007 0.030 2
31 9 9 GLU HG2 H 2.335 0.030 1
32 9 9 GLU HG3 H 2.335 0.030 1
33 9 9 GLU CA C 56.763 0.300 1
34 9 9 GLU CB C 30.257 0.300 1
35 9 9 GLU CG C 36.311 0.300 1
36 9 9 GLU N N 121.433 0.300 1
37 10 10 ASP H H 8.434 0.030 1
38 10 10 ASP HA H 4.673 0.030 1
39 10 10 ASP HB2 H 2.746 0.030 2
40 10 10 ASP HB3 H 2.689 0.030 2
41 10 10 ASP CA C 54.349 0.300 1
42 10 10 ASP CB C 41.112 0.300 1
43 10 10 ASP N N 121.649 0.300 1
44 11 11 TRP H H 8.428 0.030 1
45 11 11 TRP HA H 5.148 0.030 1
46 11 11 TRP HB2 H 3.379 0.030 2
47 11 11 TRP HB3 H 3.123 0.030 2
48 11 11 TRP HD1 H 7.726 0.030 1
49 11 11 TRP HE1 H 10.492 0.030 1
50 11 11 TRP HE3 H 7.518 0.030 1
51 11 11 TRP HH2 H 6.932 0.030 1
52 11 11 TRP HZ2 H 7.407 0.030 1
53 11 11 TRP HZ3 H 7.079 0.030 1
54 11 11 TRP CA C 54.753 0.300 1
55 11 11 TRP CB C 30.583 0.300 1
56 11 11 TRP CD1 C 125.076 0.300 1
57 11 11 TRP CE3 C 120.442 0.300 1
58 11 11 TRP CH2 C 125.729 0.300 1
59 11 11 TRP CZ2 C 115.786 0.300 1
60 11 11 TRP CZ3 C 122.456 0.300 1
61 11 11 TRP N N 123.718 0.300 1
62 11 11 TRP NE1 N 130.050 0.300 1
63 12 12 VAL H H 8.681 0.030 1
64 12 12 VAL HA H 4.042 0.030 1
65 12 12 VAL HB H 2.223 0.030 1
66 12 12 VAL HG1 H 0.973 0.030 1
67 12 12 VAL HG2 H 0.973 0.030 1
68 12 12 VAL CA C 63.791 0.300 1
69 12 12 VAL CB C 32.805 0.300 1
70 12 12 VAL CG1 C 20.629 0.300 1
71 12 12 VAL CG2 C 20.629 0.300 1
72 12 12 VAL N N 124.653 0.300 1
73 13 13 LEU H H 5.467 0.030 1
74 13 13 LEU HA H 4.016 0.030 1
75 13 13 LEU HB2 H 0.117 0.030 2
76 13 13 LEU HB3 H -0.562 0.030 2
77 13 13 LEU HD1 H 0.168 0.030 1
78 13 13 LEU HD2 H -0.518 0.030 1
79 13 13 LEU HG H 0.150 0.030 1
80 13 13 LEU CA C 58.253 0.300 1
81 13 13 LEU CB C 37.632 0.300 1
82 13 13 LEU CD1 C 24.288 0.300 2
83 13 13 LEU CD2 C 26.155 0.300 2
84 13 13 LEU CG C 26.293 0.300 1
85 13 13 LEU N N 118.718 0.300 1
86 14 14 PRO HA H 3.954 0.030 1
87 14 14 PRO HB2 H 2.470 0.030 2
88 14 14 PRO HB3 H 1.929 0.030 2
89 14 14 PRO HD2 H 3.203 0.030 2
90 14 14 PRO HD3 H 2.259 0.030 2
91 14 14 PRO HG2 H 2.182 0.030 2
92 14 14 PRO HG3 H 1.668 0.030 2
93 14 14 PRO C C 179.732 0.300 1
94 14 14 PRO CA C 66.813 0.300 1
95 14 14 PRO CB C 30.653 0.300 1
96 14 14 PRO CD C 48.448 0.300 1
97 14 14 PRO CG C 28.574 0.300 1
98 15 15 SER H H 7.755 0.030 1
99 15 15 SER HA H 4.285 0.030 1
100 15 15 SER HB2 H 3.948 0.030 1
101 15 15 SER HB3 H 3.948 0.030 1
102 15 15 SER C C 176.399 0.300 1
103 15 15 SER CA C 61.284 0.300 1
104 15 15 SER CB C 62.553 0.300 1
105 15 15 SER N N 112.313 0.300 1
106 16 16 GLU H H 8.073 0.030 1
107 16 16 GLU HA H 4.005 0.030 1
108 16 16 GLU HB2 H 2.229 0.030 2
109 16 16 GLU HB3 H 2.025 0.030 2
110 16 16 GLU HG2 H 2.335 0.030 2
111 16 16 GLU HG3 H 2.011 0.030 2
112 16 16 GLU C C 179.562 0.300 1
113 16 16 GLU CA C 59.866 0.300 1
114 16 16 GLU CB C 30.053 0.300 1
115 16 16 GLU CG C 36.476 0.300 1
116 16 16 GLU N N 125.688 0.300 1
117 17 17 VAL H H 8.616 0.030 1
118 17 17 VAL HA H 3.461 0.030 1
119 17 17 VAL HB H 2.244 0.030 1
120 17 17 VAL HG1 H 1.085 0.030 1
121 17 17 VAL HG2 H 0.925 0.030 1
122 17 17 VAL C C 176.879 0.300 1
123 17 17 VAL CA C 67.104 0.300 1
124 17 17 VAL CB C 31.256 0.300 1
125 17 17 VAL CG1 C 23.036 0.300 2
126 17 17 VAL CG2 C 24.743 0.300 2
127 17 17 VAL N N 118.769 0.300 1
128 18 18 GLU H H 7.748 0.030 1
129 18 18 GLU HA H 4.249 0.030 1
130 18 18 GLU HB2 H 2.245 0.030 2
131 18 18 GLU HB3 H 2.146 0.030 2
132 18 18 GLU HG2 H 2.523 0.030 2
133 18 18 GLU HG3 H 2.279 0.030 2
134 18 18 GLU C C 180.254 0.300 1
135 18 18 GLU CA C 59.985 0.300 1
136 18 18 GLU CB C 29.564 0.300 1
137 18 18 GLU CG C 36.835 0.300 1
138 18 18 GLU N N 119.897 0.300 1
139 19 19 VAL H H 7.585 0.030 1
140 19 19 VAL HA H 3.710 0.030 1
141 19 19 VAL HB H 2.309 0.030 1
142 19 19 VAL HG1 H 1.078 0.030 1
143 19 19 VAL HG2 H 0.847 0.030 1
144 19 19 VAL C C 179.975 0.300 1
145 19 19 VAL CA C 66.601 0.300 1
146 19 19 VAL CB C 31.338 0.300 1
147 19 19 VAL CG1 C 22.656 0.300 2
148 19 19 VAL CG2 C 21.248 0.300 2
149 19 19 VAL N N 120.207 0.300 1
150 20 20 LEU H H 8.357 0.030 1
151 20 20 LEU HA H 4.073 0.030 1
152 20 20 LEU HB2 H 2.208 0.030 2
153 20 20 LEU HB3 H 1.576 0.030 2
154 20 20 LEU HD1 H 0.898 0.030 1
155 20 20 LEU HD2 H 1.069 0.030 1
156 20 20 LEU HG H 2.237 0.030 1
157 20 20 LEU C C 179.744 0.300 1
158 20 20 LEU CA C 58.484 0.300 1
159 20 20 LEU CB C 42.414 0.300 1
160 20 20 LEU CD1 C 26.534 0.300 2
161 20 20 LEU CD2 C 23.030 0.300 2
162 20 20 LEU CG C 26.258 0.300 1
163 20 20 LEU N N 120.686 0.300 1
164 21 21 GLU H H 9.085 0.030 1
165 21 21 GLU HA H 4.009 0.030 1
166 21 21 GLU HB2 H 2.285 0.030 2
167 21 21 GLU HB3 H 2.030 0.030 2
168 21 21 GLU HG2 H 2.566 0.030 2
169 21 21 GLU HG3 H 2.229 0.030 2
170 21 21 GLU C C 179.198 0.300 1
171 21 21 GLU CA C 60.065 0.300 1
172 21 21 GLU CB C 30.051 0.300 1
173 21 21 GLU CG C 37.815 0.300 1
174 21 21 GLU N N 119.499 0.300 1
175 22 22 SER H H 7.551 0.030 1
176 22 22 SER HA H 4.368 0.030 1
177 22 22 SER HB2 H 4.041 0.030 1
178 22 22 SER HB3 H 4.041 0.030 1
179 22 22 SER C C 174.184 0.300 1
180 22 22 SER CA C 60.694 0.300 1
181 22 22 SER CB C 63.791 0.300 1
182 22 22 SER N N 114.279 0.300 1
183 23 23 ILE H H 7.419 0.030 1
184 23 23 ILE HA H 3.809 0.030 1
185 23 23 ILE HB H 1.349 0.030 1
186 23 23 ILE HD1 H 0.538 0.030 1
187 23 23 ILE HG12 H 1.581 0.030 2
188 23 23 ILE HG13 H 0.783 0.030 2
189 23 23 ILE HG2 H 0.153 0.030 1
190 23 23 ILE C C 177.316 0.300 1
191 23 23 ILE CA C 63.798 0.300 1
192 23 23 ILE CB C 40.147 0.300 1
193 23 23 ILE CD1 C 14.188 0.300 1
194 23 23 ILE CG1 C 27.793 0.300 1
195 23 23 ILE CG2 C 16.089 0.300 1
196 23 23 ILE N N 121.880 0.300 1
197 24 24 TYR H H 8.272 0.030 1
198 24 24 TYR HA H 4.508 0.030 1
199 24 24 TYR HB2 H 3.084 0.030 2
200 24 24 TYR HB3 H 2.605 0.030 2
201 24 24 TYR HD1 H 7.168 0.030 1
202 24 24 TYR HD2 H 7.168 0.030 1
203 24 24 TYR HE1 H 6.642 0.030 1
204 24 24 TYR HE2 H 6.642 0.030 1
205 24 24 TYR C C 176.150 0.300 1
206 24 24 TYR CA C 59.003 0.300 1
207 24 24 TYR CB C 40.154 0.300 1
208 24 24 TYR CD1 C 132.747 0.300 1
209 24 24 TYR CD2 C 132.747 0.300 1
210 24 24 TYR CE1 C 117.683 0.300 1
211 24 24 TYR CE2 C 117.683 0.300 1
212 24 24 TYR N N 116.744 0.300 1
213 25 25 LEU H H 7.972 0.030 1
214 25 25 LEU HA H 4.194 0.030 1
215 25 25 LEU HB2 H 2.101 0.030 2
216 25 25 LEU HB3 H 1.595 0.030 2
217 25 25 LEU HD1 H 0.962 0.030 1
218 25 25 LEU HD2 H 0.950 0.030 1
219 25 25 LEU HG H 1.527 0.030 1
220 25 25 LEU C C 177.449 0.300 1
221 25 25 LEU CA C 56.030 0.300 1
222 25 25 LEU CB C 39.645 0.300 1
223 25 25 LEU CD1 C 25.778 0.300 2
224 25 25 LEU CD2 C 23.032 0.300 2
225 25 25 LEU CG C 27.065 0.300 1
226 25 25 LEU N N 119.708 0.300 1
227 26 26 ASP H H 8.292 0.030 1
228 26 26 ASP HA H 4.544 0.030 1
229 26 26 ASP HB2 H 2.797 0.030 1
230 26 26 ASP HB3 H 2.797 0.030 1
231 26 26 ASP C C 176.781 0.300 1
232 26 26 ASP CA C 55.762 0.300 1
233 26 26 ASP CB C 40.154 0.300 1
234 26 26 ASP N N 118.790 0.300 1
235 27 27 GLU H H 7.910 0.030 1
236 27 27 GLU HA H 4.272 0.030 1
237 27 27 GLU HB2 H 2.369 0.030 2
238 27 27 GLU HB3 H 2.118 0.030 2
239 27 27 GLU HG2 H 2.540 0.030 2
240 27 27 GLU HG3 H 2.319 0.030 2
241 27 27 GLU C C 175.992 0.300 1
242 27 27 GLU CA C 57.728 0.300 1
243 27 27 GLU CB C 30.141 0.300 1
244 27 27 GLU CG C 37.339 0.300 1
245 27 27 GLU N N 116.426 0.300 1
246 28 28 LEU H H 7.549 0.030 1
247 28 28 LEU HA H 4.627 0.030 1
248 28 28 LEU HB2 H 2.021 0.030 2
249 28 28 LEU HB3 H 1.244 0.030 2
250 28 28 LEU HD1 H 0.707 0.030 1
251 28 28 LEU HD2 H 0.796 0.030 1
252 28 28 LEU HG H 1.414 0.030 1
253 28 28 LEU C C 174.936 0.300 1
254 28 28 LEU CA C 54.238 0.300 1
255 28 28 LEU CB C 45.142 0.300 1
256 28 28 LEU CD1 C 25.551 0.300 2
257 28 28 LEU CD2 C 27.564 0.300 2
258 28 28 LEU CG C 27.081 0.300 1
259 28 28 LEU N N 120.968 0.300 1
260 29 29 GLN H H 8.734 0.030 1
261 29 29 GLN HA H 4.598 0.030 1
262 29 29 GLN HB2 H 1.668 0.030 2
263 29 29 GLN HB3 H 1.258 0.030 2
264 29 29 GLN HE21 H 7.084 0.030 2
265 29 29 GLN HE22 H 6.693 0.030 2
266 29 29 GLN HG2 H 2.168 0.030 2
267 29 29 GLN HG3 H 2.083 0.030 2
268 29 29 GLN C C 173.989 0.300 1
269 29 29 GLN CA C 54.472 0.300 1
270 29 29 GLN CB C 30.508 0.300 1
271 29 29 GLN CG C 33.856 0.300 1
272 29 29 GLN N N 126.005 0.300 1
273 29 29 GLN NE2 N 112.312 0.300 1
274 30 30 VAL H H 8.482 0.030 1
275 30 30 VAL HA H 4.842 0.030 1
276 30 30 VAL HB H 1.940 0.030 1
277 30 30 VAL HG1 H 0.851 0.030 1
278 30 30 VAL HG2 H 0.908 0.030 1
279 30 30 VAL C C 175.361 0.300 1
280 30 30 VAL CA C 60.737 0.300 1
281 30 30 VAL CB C 34.880 0.300 1
282 30 30 VAL CG1 C 21.470 0.300 2
283 30 30 VAL CG2 C 21.494 0.300 2
284 30 30 VAL N N 122.551 0.300 1
285 31 31 ILE H H 9.659 0.030 1
286 31 31 ILE HA H 4.199 0.030 1
287 31 31 ILE HB H 2.005 0.030 1
288 31 31 ILE HD1 H 0.848 0.030 1
289 31 31 ILE HG12 H 1.498 0.030 2
290 31 31 ILE HG13 H 1.155 0.030 2
291 31 31 ILE HG2 H 0.814 0.030 1
292 31 31 ILE C C 175.847 0.300 1
293 31 31 ILE CA C 60.294 0.300 1
294 31 31 ILE CB C 37.857 0.300 1
295 31 31 ILE CD1 C 12.715 0.300 1
296 31 31 ILE CG1 C 27.032 0.300 1
297 31 31 ILE CG2 C 17.485 0.300 1
298 31 31 ILE N N 130.469 0.300 1
299 32 32 LYS H H 8.416 0.030 1
300 32 32 LYS HA H 2.850 0.030 1
301 32 32 LYS HB2 H 1.097 0.030 2
302 32 32 LYS HB3 H 0.662 0.030 2
303 32 32 LYS HD2 H 1.297 0.030 1
304 32 32 LYS HD3 H 1.297 0.030 1
305 32 32 LYS HE2 H 2.744 0.030 1
306 32 32 LYS HE3 H 2.744 0.030 1
307 32 32 LYS HG2 H 0.804 0.030 2
308 32 32 LYS HG3 H -0.009 0.030 2
309 32 32 LYS C C 176.794 0.300 1
310 32 32 LYS CA C 56.590 0.300 1
311 32 32 LYS CB C 32.700 0.300 1
312 32 32 LYS CD C 29.477 0.300 1
313 32 32 LYS CE C 42.049 0.300 1
314 32 32 LYS CG C 25.651 0.300 1
315 32 32 LYS N N 127.138 0.300 1
316 33 33 GLY H H 5.224 0.030 1
317 33 33 GLY HA2 H 3.985 0.030 2
318 33 33 GLY HA3 H 3.547 0.030 2
319 33 33 GLY CA C 44.680 0.300 1
320 34 34 ASN HA H 4.777 0.030 1
321 34 34 ASN HB2 H 2.818 0.030 2
322 34 34 ASN HB3 H 2.749 0.030 2
323 34 34 ASN HD21 H 7.605 0.030 2
324 34 34 ASN HD22 H 6.928 0.030 2
325 34 34 ASN CA C 52.516 0.300 1
326 34 34 ASN CB C 38.136 0.300 1
327 34 34 ASN ND2 N 112.612 0.300 1
328 35 35 GLY H H 8.481 0.030 1
329 35 35 GLY HA2 H 4.242 0.030 2
330 35 35 GLY HA3 H 4.101 0.030 2
331 35 35 GLY CA C 45.692 0.300 1
332 35 35 GLY N N 113.021 0.300 1
333 36 36 ARG HA H 4.303 0.030 1
334 36 36 ARG HB2 H 1.738 0.030 2
335 36 36 ARG HB3 H 1.533 0.030 2
336 36 36 ARG HD2 H 2.768 0.030 2
337 36 36 ARG HD3 H 2.567 0.030 2
338 36 36 ARG HG2 H 1.321 0.030 2
339 36 36 ARG HG3 H 0.930 0.030 2
340 36 36 ARG CA C 56.277 0.300 1
341 36 36 ARG CB C 30.331 0.300 1
342 36 36 ARG CD C 42.769 0.300 1
343 36 36 ARG CG C 27.133 0.300 1
344 37 37 THR H H 8.025 0.030 1
345 37 37 THR HA H 4.320 0.030 1
346 37 37 THR HB H 4.495 0.030 1
347 37 37 THR HG2 H 1.180 0.030 1
348 37 37 THR CA C 61.926 0.300 1
349 37 37 THR CB C 69.398 0.300 1
350 37 37 THR CG2 C 21.648 0.300 1
351 37 37 THR N N 106.906 0.300 1
352 38 38 SER H H 7.592 0.030 1
353 38 38 SER HA H 5.001 0.030 1
354 38 38 SER HB2 H 4.013 0.030 2
355 38 38 SER HB3 H 3.938 0.030 2
356 38 38 SER CA C 56.536 0.300 1
357 38 38 SER CB C 63.811 0.300 1
358 38 38 SER N N 118.273 0.300 1
359 39 39 PRO HA H 4.990 0.030 1
360 39 39 PRO HB2 H 2.245 0.030 2
361 39 39 PRO HB3 H 1.870 0.030 2
362 39 39 PRO HD2 H 3.971 0.030 2
363 39 39 PRO HD3 H 3.814 0.030 2
364 39 39 PRO HG2 H 2.053 0.030 1
365 39 39 PRO HG3 H 2.053 0.030 1
366 39 39 PRO CA C 63.309 0.300 1
367 39 39 PRO CB C 32.878 0.300 1
368 39 39 PRO CD C 50.947 0.300 1
369 39 39 PRO CG C 27.290 0.300 1
370 40 40 TRP H H 8.627 0.030 1
371 40 40 TRP HA H 5.177 0.030 1
372 40 40 TRP HB2 H 3.072 0.030 2
373 40 40 TRP HB3 H 2.870 0.030 2
374 40 40 TRP HD1 H 7.917 0.030 1
375 40 40 TRP HE1 H 10.857 0.030 1
376 40 40 TRP HE3 H 7.059 0.030 1
377 40 40 TRP HH2 H 7.198 0.030 1
378 40 40 TRP HZ2 H 7.681 0.030 1
379 40 40 TRP HZ3 H 6.891 0.030 1
380 40 40 TRP C C 175.288 0.300 1
381 40 40 TRP CA C 56.066 0.300 1
382 40 40 TRP CB C 30.841 0.300 1
383 40 40 TRP CD1 C 124.870 0.300 1
384 40 40 TRP CE3 C 119.687 0.300 1
385 40 40 TRP CH2 C 124.470 0.300 1
386 40 40 TRP CZ2 C 115.329 0.300 1
387 40 40 TRP CZ3 C 121.701 0.300 1
388 40 40 TRP N N 121.402 0.300 1
389 40 40 TRP NE1 N 131.474 0.300 1
390 41 41 GLU H H 8.878 0.030 1
391 41 41 GLU HA H 5.372 0.030 1
392 41 41 GLU HB2 H 2.026 0.030 2
393 41 41 GLU HB3 H 1.971 0.030 2
394 41 41 GLU HG2 H 2.175 0.030 2
395 41 41 GLU HG3 H 2.035 0.030 2
396 41 41 GLU C C 174.026 0.300 1
397 41 41 GLU CA C 55.365 0.300 1
398 41 41 GLU CB C 33.504 0.300 1
399 41 41 GLU CG C 37.187 0.300 1
400 41 41 GLU N N 121.586 0.300 1
401 42 42 ILE H H 8.990 0.030 1
402 42 42 ILE HA H 5.003 0.030 1
403 42 42 ILE HB H 1.719 0.030 1
404 42 42 ILE HD1 H 0.797 0.030 1
405 42 42 ILE HG12 H 1.575 0.030 2
406 42 42 ILE HG13 H 1.203 0.030 2
407 42 42 ILE HG2 H 0.785 0.030 1
408 42 42 ILE C C 173.674 0.300 1
409 42 42 ILE CA C 59.761 0.300 1
410 42 42 ILE CB C 41.432 0.300 1
411 42 42 ILE CD1 C 15.222 0.300 1
412 42 42 ILE CG1 C 28.794 0.300 1
413 42 42 ILE CG2 C 18.232 0.300 1
414 42 42 ILE N N 125.262 0.300 1
415 43 43 TYR H H 9.115 0.030 1
416 43 43 TYR HA H 5.733 0.030 1
417 43 43 TYR HB2 H 2.914 0.030 2
418 43 43 TYR HB3 H 2.825 0.030 2
419 43 43 TYR HD1 H 6.877 0.030 1
420 43 43 TYR HD2 H 6.877 0.030 1
421 43 43 TYR HE1 H 6.671 0.030 1
422 43 43 TYR HE2 H 6.671 0.030 1
423 43 43 TYR C C 174.633 0.300 1
424 43 43 TYR CA C 55.454 0.300 1
425 43 43 TYR CB C 41.660 0.300 1
426 43 43 TYR CD1 C 133.291 0.300 1
427 43 43 TYR CD2 C 133.291 0.300 1
428 43 43 TYR CE1 C 118.646 0.300 1
429 43 43 TYR CE2 C 118.646 0.300 1
430 43 43 TYR N N 123.060 0.300 1
431 44 44 ILE H H 8.541 0.030 1
432 44 44 ILE HA H 4.777 0.030 1
433 44 44 ILE HB H 1.802 0.030 1
434 44 44 ILE HD1 H 0.326 0.030 1
435 44 44 ILE HG12 H 1.458 0.030 2
436 44 44 ILE HG13 H 0.644 0.030 2
437 44 44 ILE HG2 H 0.631 0.030 1
438 44 44 ILE C C 172.860 0.300 1
439 44 44 ILE CA C 60.140 0.300 1
440 44 44 ILE CB C 40.854 0.300 1
441 44 44 ILE CD1 C 14.857 0.300 1
442 44 44 ILE CG1 C 28.298 0.300 1
443 44 44 ILE CG2 C 14.460 0.300 1
444 44 44 ILE N N 118.232 0.300 1
445 45 45 THR H H 9.131 0.030 1
446 45 45 THR HA H 4.663 0.030 1
447 45 45 THR HB H 4.054 0.030 1
448 45 45 THR HG2 H 0.934 0.030 1
449 45 45 THR C C 172.447 0.300 1
450 45 45 THR CA C 63.109 0.300 1
451 45 45 THR CB C 68.824 0.300 1
452 45 45 THR CG2 C 21.728 0.300 1
453 45 45 THR N N 126.894 0.300 1
454 46 46 LEU H H 8.630 0.030 1
455 46 46 LEU HA H 4.417 0.030 1
456 46 46 LEU HB2 H 0.750 0.030 1
457 46 46 LEU HB3 H 0.750 0.030 1
458 46 46 LEU HD1 H 0.651 0.030 1
459 46 46 LEU HD2 H 0.563 0.030 1
460 46 46 LEU HG H 1.312 0.030 1
461 46 46 LEU C C 174.208 0.300 1
462 46 46 LEU CA C 53.157 0.300 1
463 46 46 LEU CB C 43.850 0.300 1
464 46 46 LEU CD1 C 25.822 0.300 2
465 46 46 LEU CD2 C 23.506 0.300 2
466 46 46 LEU CG C 26.283 0.300 1
467 46 46 LEU N N 128.273 0.300 1
468 47 47 HIS H H 8.182 0.030 1
469 47 47 HIS HA H 4.978 0.030 1
470 47 47 HIS HB2 H 3.258 0.030 2
471 47 47 HIS HB3 H 2.995 0.030 2
472 47 47 HIS HD2 H 7.081 0.030 1
473 47 47 HIS C C 172.277 0.300 1
474 47 47 HIS CA C 52.992 0.300 1
475 47 47 HIS CB C 30.207 0.300 1
476 47 47 HIS CD2 C 121.484 0.300 1
477 47 47 HIS N N 116.390 0.300 1
478 48 48 PRO HA H 4.429 0.030 1
479 48 48 PRO HB2 H 2.320 0.030 2
480 48 48 PRO HB3 H 2.019 0.030 2
481 48 48 PRO HD2 H 3.840 0.030 2
482 48 48 PRO HD3 H 3.781 0.030 2
483 48 48 PRO HG2 H 2.146 0.030 2
484 48 48 PRO HG3 H 1.955 0.030 2
485 48 48 PRO C C 176.624 0.300 1
486 48 48 PRO CA C 62.754 0.300 1
487 48 48 PRO CB C 32.345 0.300 1
488 48 48 PRO CD C 50.786 0.300 1
489 48 48 PRO CG C 27.795 0.300 1
490 49 49 ALA H H 8.582 0.030 1
491 49 49 ALA HA H 4.383 0.030 1
492 49 49 ALA HB H 1.458 0.030 1
493 49 49 ALA C C 177.874 0.300 1
494 49 49 ALA CA C 53.085 0.300 1
495 49 49 ALA CB C 18.904 0.300 1
496 49 49 ALA N N 125.040 0.300 1
497 50 50 THR H H 7.959 0.030 1
498 50 50 THR HA H 4.415 0.030 1
499 50 50 THR HB H 4.311 0.030 1
500 50 50 THR HG2 H 1.215 0.030 1
501 50 50 THR C C 174.038 0.300 1
502 50 50 THR CA C 61.021 0.300 1
503 50 50 THR CB C 70.199 0.300 1
504 50 50 THR CG2 C 21.722 0.300 1
505 50 50 THR N N 111.581 0.300 1
506 51 51 ALA H H 8.317 0.030 1
507 51 51 ALA HA H 4.406 0.030 1
508 51 51 ALA HB H 1.412 0.030 1
509 51 51 ALA C C 177.704 0.300 1
510 51 51 ALA CA C 52.482 0.300 1
511 51 51 ALA CB C 19.737 0.300 1
512 51 51 ALA N N 125.721 0.300 1
513 52 52 GLU H H 8.489 0.030 1
514 52 52 GLU HA H 4.218 0.030 1
515 52 52 GLU HB2 H 2.063 0.030 2
516 52 52 GLU HB3 H 1.923 0.030 2
517 52 52 GLU HG2 H 2.258 0.030 1
518 52 52 GLU HG3 H 2.258 0.030 1
519 52 52 GLU C C 176.369 0.300 1
520 52 52 GLU CA C 57.143 0.300 1
521 52 52 GLU CB C 30.059 0.300 1
522 52 52 GLU CG C 36.332 0.300 1
523 52 52 GLU N N 119.755 0.300 1
524 53 53 ASP H H 8.263 0.030 1
525 53 53 ASP HA H 4.513 0.030 1
526 53 53 ASP HB2 H 2.708 0.030 1
527 53 53 ASP HB3 H 2.708 0.030 1
528 53 53 ASP C C 176.369 0.300 1
529 53 53 ASP CA C 54.275 0.300 1
530 53 53 ASP CB C 41.056 0.300 1
531 53 53 ASP N N 119.357 0.300 1
532 54 54 GLN H H 8.238 0.030 1
533 54 54 GLN HA H 4.286 0.030 1
534 54 54 GLN HB2 H 2.151 0.030 2
535 54 54 GLN HB3 H 2.021 0.030 2
536 54 54 GLN HE21 H 7.552 0.030 2
537 54 54 GLN HE22 H 6.849 0.030 2
538 54 54 GLN HG2 H 2.359 0.030 1
539 54 54 GLN HG3 H 2.359 0.030 1
540 54 54 GLN C C 176.102 0.300 1
541 54 54 GLN CA C 56.515 0.300 1
542 54 54 GLN CB C 29.317 0.300 1
543 54 54 GLN CG C 33.835 0.300 1
544 54 54 GLN N N 119.579 0.300 1
545 54 54 GLN NE2 N 112.734 0.300 1
546 55 55 ASP H H 8.383 0.030 1
547 55 55 ASP HA H 4.643 0.030 1
548 55 55 ASP HB2 H 2.784 0.030 2
549 55 55 ASP HB3 H 2.691 0.030 2
550 55 55 ASP C C 176.781 0.300 1
551 55 55 ASP CA C 54.970 0.300 1
552 55 55 ASP CB C 41.217 0.300 1
553 55 55 ASP N N 120.453 0.300 1
554 56 56 SER H H 8.163 0.030 1
555 56 56 SER HA H 4.385 0.030 1
556 56 56 SER HB2 H 3.906 0.030 1
557 56 56 SER HB3 H 3.906 0.030 1
558 56 56 SER C C 174.718 0.300 1
559 56 56 SER CA C 59.154 0.300 1
560 56 56 SER CB C 63.763 0.300 1
561 56 56 SER N N 116.030 0.300 1
562 57 57 GLN H H 8.312 0.030 1
563 57 57 GLN HA H 4.316 0.030 1
564 57 57 GLN HB2 H 2.072 0.030 2
565 57 57 GLN HB3 H 1.959 0.030 2
566 57 57 GLN HE21 H 7.510 0.030 2
567 57 57 GLN HE22 H 6.820 0.030 2
568 57 57 GLN HG2 H 2.242 0.030 1
569 57 57 GLN HG3 H 2.242 0.030 1
570 57 57 GLN C C 175.494 0.300 1
571 57 57 GLN CA C 55.832 0.300 1
572 57 57 GLN CB C 29.076 0.300 1
573 57 57 GLN CG C 33.808 0.300 1
574 57 57 GLN N N 120.637 0.300 1
575 57 57 GLN NE2 N 112.641 0.300 1
576 58 58 TYR H H 8.060 0.030 1
577 58 58 TYR HA H 4.455 0.030 1
578 58 58 TYR HB2 H 3.026 0.030 1
579 58 58 TYR HB3 H 3.026 0.030 1
580 58 58 TYR HD1 H 7.084 0.030 1
581 58 58 TYR HD2 H 7.084 0.030 1
582 58 58 TYR HE1 H 6.788 0.030 1
583 58 58 TYR HE2 H 6.788 0.030 1
584 58 58 TYR C C 174.887 0.300 1
585 58 58 TYR CA C 58.920 0.300 1
586 58 58 TYR CB C 38.993 0.300 1
587 58 58 TYR CD1 C 133.064 0.300 1
588 58 58 TYR CD2 C 133.064 0.300 1
589 58 58 TYR CE1 C 118.177 0.300 1
590 58 58 TYR CE2 C 118.177 0.300 1
591 58 58 TYR N N 121.961 0.300 1
592 59 59 VAL H H 7.503 0.030 1
593 59 59 VAL HA H 4.599 0.030 1
594 59 59 VAL HB H 1.937 0.030 1
595 59 59 VAL HG1 H 0.999 0.030 1
596 59 59 VAL HG2 H 1.050 0.030 1
597 59 59 VAL C C 175.203 0.300 1
598 59 59 VAL CA C 60.791 0.300 1
599 59 59 VAL CB C 33.833 0.300 1
600 59 59 VAL CG1 C 21.518 0.300 2
601 59 59 VAL CG2 C 21.249 0.300 2
602 59 59 VAL N N 122.147 0.300 1
603 60 60 CYS H H 8.669 0.030 1
604 60 60 CYS HA H 5.164 0.030 1
605 60 60 CYS HB2 H 2.835 0.030 2
606 60 60 CYS HB3 H 2.664 0.030 2
607 60 60 CYS C C 172.338 0.300 1
608 60 60 CYS CA C 56.718 0.300 1
609 60 60 CYS CB C 30.388 0.300 1
610 60 60 CYS N N 117.779 0.300 1
611 61 61 PHE H H 8.006 0.030 1
612 61 61 PHE HA H 4.813 0.030 1
613 61 61 PHE HB2 H 3.357 0.030 2
614 61 61 PHE HB3 H 2.728 0.030 2
615 61 61 PHE HD1 H 6.891 0.030 1
616 61 61 PHE HD2 H 6.891 0.030 1
617 61 61 PHE HE1 H 7.040 0.030 1
618 61 61 PHE HE2 H 7.040 0.030 1
619 61 61 PHE HZ H 6.958 0.030 1
620 61 61 PHE C C 171.816 0.300 1
621 61 61 PHE CA C 57.899 0.300 1
622 61 61 PHE CB C 40.401 0.300 1
623 61 61 PHE CD1 C 132.474 0.300 1
624 61 61 PHE CD2 C 132.474 0.300 1
625 61 61 PHE CE1 C 130.454 0.300 1
626 61 61 PHE CE2 C 130.454 0.300 1
627 61 61 PHE CZ C 129.253 0.300 1
628 61 61 PHE N N 111.361 0.300 1
629 62 62 THR H H 8.605 0.030 1
630 62 62 THR HA H 4.862 0.030 1
631 62 62 THR HB H 4.027 0.030 1
632 62 62 THR HG2 H 1.092 0.030 1
633 62 62 THR C C 172.411 0.300 1
634 62 62 THR CA C 62.245 0.300 1
635 62 62 THR CB C 69.558 0.300 1
636 62 62 THR CG2 C 21.018 0.300 1
637 62 62 THR N N 117.287 0.300 1
638 63 63 LEU H H 9.180 0.030 1
639 63 63 LEU HA H 4.620 0.030 1
640 63 63 LEU HB2 H 2.050 0.030 2
641 63 63 LEU HB3 H 1.291 0.030 2
642 63 63 LEU HD1 H 0.912 0.030 1
643 63 63 LEU HD2 H 0.760 0.030 1
644 63 63 LEU HG H 1.426 0.030 1
645 63 63 LEU C C 173.552 0.300 1
646 63 63 LEU CA C 54.229 0.300 1
647 63 63 LEU CB C 43.445 0.300 1
648 63 63 LEU CD1 C 24.019 0.300 2
649 63 63 LEU CD2 C 27.064 0.300 2
650 63 63 LEU CG C 27.290 0.300 1
651 63 63 LEU N N 133.227 0.300 1
652 64 64 VAL H H 8.740 0.030 1
653 64 64 VAL HA H 4.625 0.030 1
654 64 64 VAL HB H 2.033 0.030 1
655 64 64 VAL HG1 H 0.531 0.030 1
656 64 64 VAL HG2 H 0.613 0.030 1
657 64 64 VAL C C 175.009 0.300 1
658 64 64 VAL CA C 61.200 0.300 1
659 64 64 VAL CB C 32.093 0.300 1
660 64 64 VAL CG1 C 20.472 0.300 2
661 64 64 VAL CG2 C 20.493 0.300 2
662 64 64 VAL N N 126.574 0.300 1
663 65 65 LEU H H 9.269 0.030 1
664 65 65 LEU HA H 5.081 0.030 1
665 65 65 LEU HB2 H 1.891 0.030 2
666 65 65 LEU HB3 H 0.848 0.030 2
667 65 65 LEU HD1 H 0.739 0.030 1
668 65 65 LEU HD2 H 0.789 0.030 1
669 65 65 LEU HG H 1.507 0.030 1
670 65 65 LEU C C 175.240 0.300 1
671 65 65 LEU CA C 52.237 0.300 1
672 65 65 LEU CB C 43.703 0.300 1
673 65 65 LEU CD1 C 26.032 0.300 2
674 65 65 LEU CD2 C 26.041 0.300 2
675 65 65 LEU CG C 26.786 0.300 1
676 65 65 LEU N N 125.855 0.300 1
677 66 66 GLN H H 8.861 0.030 1
678 66 66 GLN HA H 5.118 0.030 1
679 66 66 GLN HB2 H 2.078 0.030 2
680 66 66 GLN HB3 H 2.037 0.030 2
681 66 66 GLN HE21 H 7.603 0.030 2
682 66 66 GLN HE22 H 6.784 0.030 2
683 66 66 GLN HG2 H 2.227 0.030 2
684 66 66 GLN HG3 H 2.121 0.030 2
685 66 66 GLN C C 175.494 0.300 1
686 66 66 GLN CA C 54.734 0.300 1
687 66 66 GLN CB C 29.893 0.300 1
688 66 66 GLN CG C 34.590 0.300 1
689 66 66 GLN N N 123.701 0.300 1
690 66 66 GLN NE2 N 111.679 0.300 1
691 67 67 VAL H H 9.552 0.030 1
692 67 67 VAL HA H 4.186 0.030 1
693 67 67 VAL HB H 1.902 0.030 1
694 67 67 VAL HG1 H 0.469 0.030 1
695 67 67 VAL HG2 H 0.536 0.030 1
696 67 67 VAL C C 172.957 0.300 1
697 67 67 VAL CA C 60.567 0.300 1
698 67 67 VAL CB C 33.066 0.300 1
699 67 67 VAL CG1 C 23.404 0.300 2
700 67 67 VAL CG2 C 21.006 0.300 2
701 67 67 VAL N N 129.838 0.300 1
702 68 68 PRO HA H 4.680 0.030 1
703 68 68 PRO HB2 H 2.424 0.030 1
704 68 68 PRO HB3 H 2.424 0.030 1
705 68 68 PRO HD2 H 4.214 0.030 2
706 68 68 PRO HD3 H 3.662 0.030 2
707 68 68 PRO HG2 H 2.134 0.030 2
708 68 68 PRO HG3 H 1.848 0.030 2
709 68 68 PRO C C 176.527 0.300 1
710 68 68 PRO CA C 62.292 0.300 1
711 68 68 PRO CB C 32.596 0.300 1
712 68 68 PRO CD C 51.687 0.300 1
713 68 68 PRO CG C 26.806 0.300 1
714 69 69 ALA H H 8.746 0.030 1
715 69 69 ALA HA H 4.051 0.030 1
716 69 69 ALA HB H 1.232 0.030 1
717 69 69 ALA C C 178.724 0.300 1
718 69 69 ALA CA C 54.762 0.300 1
719 69 69 ALA CB C 18.578 0.300 1
720 69 69 ALA N N 121.598 0.300 1
721 70 70 GLU H H 8.254 0.030 1
722 70 70 GLU HA H 4.219 0.030 1
723 70 70 GLU HB2 H 2.248 0.030 2
724 70 70 GLU HB3 H 1.858 0.030 2
725 70 70 GLU HG2 H 2.470 0.030 2
726 70 70 GLU HG3 H 2.245 0.030 2
727 70 70 GLU C C 177.255 0.300 1
728 70 70 GLU CA C 57.492 0.300 1
729 70 70 GLU CB C 29.564 0.300 1
730 70 70 GLU CG C 37.352 0.300 1
731 70 70 GLU N N 111.309 0.300 1
732 71 71 TYR H H 8.067 0.030 1
733 71 71 TYR HA H 4.745 0.030 1
734 71 71 TYR HB2 H 3.201 0.030 2
735 71 71 TYR HB3 H 3.132 0.030 2
736 71 71 TYR HD1 H 7.276 0.030 3
737 71 71 TYR HD2 H 6.548 0.030 3
738 71 71 TYR HE1 H 6.840 0.030 3
739 71 71 TYR HE2 H 6.802 0.030 3
740 71 71 TYR C C 174.657 0.300 1
741 71 71 TYR CA C 57.593 0.300 1
742 71 71 TYR CB C 41.357 0.300 1
743 71 71 TYR CD1 C 132.777 0.300 3
744 71 71 TYR CD2 C 133.177 0.300 3
745 71 71 TYR CE1 C 118.394 0.300 3
746 71 71 TYR CE2 C 119.516 0.300 3
747 71 71 TYR N N 122.918 0.300 1
748 72 72 PRO HA H 3.790 0.030 1
749 72 72 PRO HB2 H 1.715 0.030 2
750 72 72 PRO HB3 H 0.494 0.030 2
751 72 72 PRO HD2 H 3.269 0.030 2
752 72 72 PRO HD3 H 3.242 0.030 2
753 72 72 PRO HG2 H 1.347 0.030 2
754 72 72 PRO HG3 H 0.480 0.030 2
755 72 72 PRO C C 174.293 0.300 1
756 72 72 PRO CA C 63.811 0.300 1
757 72 72 PRO CB C 31.969 0.300 1
758 72 72 PRO CD C 49.462 0.300 1
759 72 72 PRO CG C 23.754 0.300 1
760 73 73 HIS H H 8.823 0.030 1
761 73 73 HIS HA H 4.476 0.030 1
762 73 73 HIS HB2 H 3.359 0.030 2
763 73 73 HIS HB3 H 3.118 0.030 2
764 73 73 HIS HD2 H 7.100 0.030 1
765 73 73 HIS C C 173.710 0.300 1
766 73 73 HIS CA C 57.314 0.300 1
767 73 73 HIS CB C 29.852 0.300 1
768 73 73 HIS CD2 C 119.470 0.300 1
769 73 73 HIS N N 125.308 0.300 1
770 74 74 GLU H H 7.091 0.030 1
771 74 74 GLU HA H 4.486 0.030 1
772 74 74 GLU HB2 H 1.803 0.030 2
773 74 74 GLU HB3 H 1.681 0.030 2
774 74 74 GLU HG2 H 2.427 0.030 2
775 74 74 GLU HG3 H 2.345 0.030 2
776 74 74 GLU C C 174.572 0.300 1
777 74 74 GLU CA C 54.522 0.300 1
778 74 74 GLU CB C 33.850 0.300 1
779 74 74 GLU CG C 36.145 0.300 1
780 74 74 GLU N N 118.691 0.300 1
781 75 75 VAL H H 8.264 0.030 1
782 75 75 VAL HA H 4.371 0.030 1
783 75 75 VAL HB H 2.243 0.030 1
784 75 75 VAL HG1 H 1.015 0.030 1
785 75 75 VAL HG2 H 0.951 0.030 1
786 75 75 VAL C C 173.613 0.300 1
787 75 75 VAL CA C 60.213 0.300 1
788 75 75 VAL CB C 31.066 0.300 1
789 75 75 VAL CG1 C 22.760 0.300 2
790 75 75 VAL CG2 C 17.974 0.300 2
791 75 75 VAL N N 114.699 0.300 1
792 76 76 PRO HA H 4.862 0.030 1
793 76 76 PRO HB2 H 1.909 0.030 2
794 76 76 PRO HB3 H 1.565 0.030 2
795 76 76 PRO HD2 H 4.165 0.030 2
796 76 76 PRO HD3 H 3.665 0.030 2
797 76 76 PRO HG2 H 1.870 0.030 2
798 76 76 PRO HG3 H 1.810 0.030 2
799 76 76 PRO C C 175.507 0.300 1
800 76 76 PRO CA C 62.065 0.300 1
801 76 76 PRO CB C 32.052 0.300 1
802 76 76 PRO CD C 51.199 0.300 1
803 76 76 PRO CG C 27.793 0.300 1
804 77 77 GLN H H 8.793 0.030 1
805 77 77 GLN HA H 4.449 0.030 1
806 77 77 GLN HB2 H 2.177 0.030 2
807 77 77 GLN HB3 H 2.074 0.030 2
808 77 77 GLN HE21 H 7.645 0.030 2
809 77 77 GLN HE22 H 6.809 0.030 2
810 77 77 GLN HG2 H 2.457 0.030 2
811 77 77 GLN HG3 H 2.434 0.030 2
812 77 77 GLN C C 176.296 0.300 1
813 77 77 GLN CA C 55.625 0.300 1
814 77 77 GLN CB C 29.427 0.300 1
815 77 77 GLN CG C 33.875 0.300 1
816 77 77 GLN N N 120.231 0.300 1
817 77 77 GLN NE2 N 112.809 0.300 1
818 78 78 ILE H H 8.574 0.030 1
819 78 78 ILE HA H 4.753 0.030 1
820 78 78 ILE HB H 1.617 0.030 1
821 78 78 ILE HD1 H 0.748 0.030 1
822 78 78 ILE HG12 H 1.613 0.030 1
823 78 78 ILE HG13 H 1.613 0.030 1
824 78 78 ILE HG2 H 0.756 0.030 1
825 78 78 ILE C C 174.875 0.300 1
826 78 78 ILE CA C 61.253 0.300 1
827 78 78 ILE CB C 39.945 0.300 1
828 78 78 ILE CD1 C 14.564 0.300 1
829 78 78 ILE CG1 C 27.310 0.300 1
830 78 78 ILE CG2 C 18.229 0.300 1
831 78 78 ILE N N 128.104 0.300 1
832 79 79 SER H H 9.223 0.030 1
833 79 79 SER HA H 4.681 0.030 1
834 79 79 SER HB2 H 3.843 0.030 2
835 79 79 SER HB3 H 3.772 0.030 2
836 79 79 SER C C 171.221 0.300 1
837 79 79 SER CA C 57.412 0.300 1
838 79 79 SER CB C 65.597 0.300 1
839 79 79 SER N N 121.534 0.300 1
840 80 80 ILE H H 8.515 0.030 1
841 80 80 ILE HA H 5.038 0.030 1
842 80 80 ILE HB H 1.582 0.030 1
843 80 80 ILE HD1 H 0.372 0.030 1
844 80 80 ILE HG12 H 1.038 0.030 2
845 80 80 ILE HG13 H 1.388 0.030 2
846 80 80 ILE HG2 H 0.687 0.030 1
847 80 80 ILE C C 175.374 0.300 1
848 80 80 ILE CA C 59.580 0.300 1
849 80 80 ILE CB C 40.653 0.300 1
850 80 80 ILE CD1 C 13.695 0.300 1
851 80 80 ILE CG1 C 28.086 0.300 1
852 80 80 ILE CG2 C 17.744 0.300 1
853 80 80 ILE N N 119.128 0.300 1
854 81 81 ARG H H 9.419 0.030 1
855 81 81 ARG HA H 4.813 0.030 1
856 81 81 ARG HB2 H 1.711 0.030 2
857 81 81 ARG HB3 H 1.551 0.030 2
858 81 81 ARG HD2 H 3.154 0.030 2
859 81 81 ARG HD3 H 2.911 0.030 2
860 81 81 ARG HG2 H 1.542 0.030 1
861 81 81 ARG HG3 H 1.542 0.030 1
862 81 81 ARG C C 173.977 0.300 1
863 81 81 ARG CA C 53.714 0.300 1
864 81 81 ARG CB C 34.590 0.300 1
865 81 81 ARG CD C 43.776 0.300 1
866 81 81 ARG CG C 27.284 0.300 1
867 81 81 ARG N N 125.896 0.300 1
868 82 82 ASN H H 9.358 0.030 1
869 82 82 ASN HA H 4.511 0.030 1
870 82 82 ASN HB2 H 2.928 0.030 2
871 82 82 ASN HB3 H 2.710 0.030 2
872 82 82 ASN HD21 H 7.705 0.030 2
873 82 82 ASN HD22 H 6.922 0.030 2
874 82 82 ASN CA C 53.927 0.300 1
875 82 82 ASN CB C 38.490 0.300 1
876 82 82 ASN N N 117.680 0.300 1
877 82 82 ASN ND2 N 113.138 0.300 1
878 83 83 PRO HA H 4.989 0.030 1
879 83 83 PRO HB2 H 2.250 0.030 2
880 83 83 PRO HB3 H 1.747 0.030 2
881 83 83 PRO HD2 H 3.828 0.030 2
882 83 83 PRO HD3 H 3.270 0.030 2
883 83 83 PRO HG2 H 2.274 0.030 2
884 83 83 PRO HG3 H 2.034 0.030 2
885 83 83 PRO C C 176.599 0.300 1
886 83 83 PRO CA C 63.554 0.300 1
887 83 83 PRO CB C 32.497 0.300 1
888 83 83 PRO CD C 50.973 0.300 1
889 83 83 PRO CG C 27.517 0.300 1
890 84 84 ARG H H 9.190 0.030 1
891 84 84 ARG HA H 4.633 0.030 1
892 84 84 ARG HB2 H 1.959 0.030 2
893 84 84 ARG HB3 H 1.873 0.030 2
894 84 84 ARG HD2 H 3.164 0.030 1
895 84 84 ARG HD3 H 3.164 0.030 1
896 84 84 ARG HG2 H 1.644 0.030 2
897 84 84 ARG HG3 H 1.510 0.030 2
898 84 84 ARG C C 175.628 0.300 1
899 84 84 ARG CA C 55.996 0.300 1
900 84 84 ARG CB C 33.129 0.300 1
901 84 84 ARG CD C 43.780 0.300 1
902 84 84 ARG CG C 26.901 0.300 1
903 84 84 ARG N N 122.823 0.300 1
904 85 85 GLY H H 8.664 0.030 1
905 85 85 GLY HA2 H 4.249 0.030 2
906 85 85 GLY HA3 H 3.768 0.030 2
907 85 85 GLY C C 173.345 0.300 1
908 85 85 GLY CA C 46.170 0.300 1
909 85 85 GLY N N 109.664 0.300 1
910 86 86 LEU H H 7.514 0.030 1
911 86 86 LEU HA H 5.011 0.030 1
912 86 86 LEU HB2 H 1.469 0.030 2
913 86 86 LEU HB3 H 1.331 0.030 2
914 86 86 LEU HD1 H 0.679 0.030 1
915 86 86 LEU HD2 H 0.705 0.030 1
916 86 86 LEU HG H 1.670 0.030 1
917 86 86 LEU C C 176.806 0.300 1
918 86 86 LEU CA C 52.837 0.300 1
919 86 86 LEU CB C 45.790 0.300 1
920 86 86 LEU CD1 C 26.916 0.300 2
921 86 86 LEU CD2 C 24.413 0.300 2
922 86 86 LEU CG C 26.544 0.300 1
923 86 86 LEU N N 117.805 0.300 1
924 87 87 SER H H 9.428 0.030 1
925 87 87 SER HA H 4.578 0.030 1
926 87 87 SER HB2 H 4.454 0.030 2
927 87 87 SER HB3 H 4.033 0.030 2
928 87 87 SER C C 174.669 0.300 1
929 87 87 SER CA C 56.569 0.300 1
930 87 87 SER CB C 65.703 0.300 1
931 87 87 SER N N 120.639 0.300 1
932 88 88 ASP H H 9.026 0.030 1
933 88 88 ASP HA H 4.316 0.030 1
934 88 88 ASP HB2 H 2.623 0.030 1
935 88 88 ASP HB3 H 2.623 0.030 1
936 88 88 ASP C C 178.930 0.300 1
937 88 88 ASP CA C 57.939 0.300 1
938 88 88 ASP CB C 39.948 0.300 1
939 88 88 ASP N N 121.387 0.300 1
940 89 89 GLU H H 8.640 0.030 1
941 89 89 GLU HA H 4.104 0.030 1
942 89 89 GLU HB2 H 2.071 0.030 2
943 89 89 GLU HB3 H 1.960 0.030 2
944 89 89 GLU HG2 H 2.323 0.030 1
945 89 89 GLU HG3 H 2.323 0.030 1
946 89 89 GLU C C 179.307 0.300 1
947 89 89 GLU CA C 59.967 0.300 1
948 89 89 GLU CB C 29.279 0.300 1
949 89 89 GLU CG C 36.624 0.300 1
950 89 89 GLU N N 120.081 0.300 1
951 90 90 GLN H H 7.930 0.030 1
952 90 90 GLN HA H 4.041 0.030 1
953 90 90 GLN HB2 H 2.429 0.030 2
954 90 90 GLN HB3 H 1.824 0.030 2
955 90 90 GLN HE21 H 7.624 0.030 2
956 90 90 GLN HE22 H 7.052 0.030 2
957 90 90 GLN HG2 H 2.450 0.030 2
958 90 90 GLN HG3 H 2.402 0.030 2
959 90 90 GLN C C 178.724 0.300 1
960 90 90 GLN CA C 59.280 0.300 1
961 90 90 GLN CB C 29.803 0.300 1
962 90 90 GLN CG C 35.374 0.300 1
963 90 90 GLN N N 120.837 0.300 1
964 90 90 GLN NE2 N 112.338 0.300 1
965 91 91 ILE H H 8.119 0.030 1
966 91 91 ILE HA H 3.278 0.030 1
967 91 91 ILE HB H 1.899 0.030 1
968 91 91 ILE HD1 H 0.744 0.030 1
969 91 91 ILE HG12 H 1.663 0.030 2
970 91 91 ILE HG13 H 0.687 0.030 2
971 91 91 ILE HG2 H 0.790 0.030 1
972 91 91 ILE C C 176.781 0.300 1
973 91 91 ILE CA C 65.785 0.300 1
974 91 91 ILE CB C 37.873 0.300 1
975 91 91 ILE CD1 C 13.438 0.300 1
976 91 91 ILE CG1 C 30.321 0.300 1
977 91 91 ILE CG2 C 16.983 0.300 1
978 91 91 ILE N N 120.140 0.300 1
979 92 92 HIS H H 8.052 0.030 1
980 92 92 HIS HA H 4.200 0.030 1
981 92 92 HIS HB2 H 3.266 0.030 2
982 92 92 HIS HB3 H 3.198 0.030 2
983 92 92 HIS HD2 H 7.037 0.030 1
984 92 92 HIS C C 178.141 0.300 1
985 92 92 HIS CA C 60.151 0.300 1
986 92 92 HIS CB C 29.817 0.300 1
987 92 92 HIS CD2 C 120.191 0.300 1
988 92 92 HIS N N 117.661 0.300 1
989 93 93 THR H H 8.244 0.030 1
990 93 93 THR HA H 3.862 0.030 1
991 93 93 THR HB H 4.327 0.030 1
992 93 93 THR HG2 H 1.209 0.030 1
993 93 93 THR C C 175.579 0.300 1
994 93 93 THR CA C 67.285 0.300 1
995 93 93 THR CB C 68.698 0.300 1
996 93 93 THR CG2 C 21.745 0.300 1
997 93 93 THR N N 117.018 0.300 1
998 94 94 ILE H H 8.159 0.030 1
999 94 94 ILE HA H 3.434 0.030 1
1000 94 94 ILE HB H 1.661 0.030 1
1001 94 94 ILE HD1 H 0.361 0.030 1
1002 94 94 ILE HG12 H 1.822 0.030 2
1003 94 94 ILE HG13 H 0.757 0.030 2
1004 94 94 ILE HG2 H 0.561 0.030 1
1005 94 94 ILE C C 177.389 0.300 1
1006 94 94 ILE CA C 66.335 0.300 1
1007 94 94 ILE CB C 37.889 0.300 1
1008 94 94 ILE CD1 C 13.951 0.300 1
1009 94 94 ILE CG1 C 29.801 0.300 1
1010 94 94 ILE CG2 C 17.879 0.300 1
1011 94 94 ILE N N 121.677 0.300 1
1012 95 95 LEU H H 7.921 0.030 1
1013 95 95 LEU HA H 3.776 0.030 1
1014 95 95 LEU HB2 H 1.876 0.030 2
1015 95 95 LEU HB3 H 1.357 0.030 2
1016 95 95 LEU HD1 H 0.874 0.030 1
1017 95 95 LEU HD2 H 0.692 0.030 1
1018 95 95 LEU HG H 1.698 0.030 1
1019 95 95 LEU C C 180.545 0.300 1
1020 95 95 LEU CA C 58.337 0.300 1
1021 95 95 LEU CB C 41.407 0.300 1
1022 95 95 LEU CD1 C 25.548 0.300 2
1023 95 95 LEU CD2 C 23.036 0.300 2
1024 95 95 LEU CG C 26.805 0.300 1
1025 95 95 LEU N N 117.078 0.300 1
1026 96 96 GLN H H 8.214 0.030 1
1027 96 96 GLN HA H 3.946 0.030 1
1028 96 96 GLN HB2 H 2.127 0.030 1
1029 96 96 GLN HB3 H 2.127 0.030 1
1030 96 96 GLN HE21 H 7.226 0.030 2
1031 96 96 GLN HE22 H 6.879 0.030 2
1032 96 96 GLN HG2 H 2.274 0.030 2
1033 96 96 GLN HG3 H 2.145 0.030 2
1034 96 96 GLN C C 179.003 0.300 1
1035 96 96 GLN CA C 58.756 0.300 1
1036 96 96 GLN CB C 28.905 0.300 1
1037 96 96 GLN CG C 33.861 0.300 1
1038 96 96 GLN N N 120.638 0.300 1
1039 96 96 GLN NE2 N 112.326 0.300 1
1040 97 97 VAL H H 8.605 0.030 1
1041 97 97 VAL HA H 3.715 0.030 1
1042 97 97 VAL HB H 2.082 0.030 1
1043 97 97 VAL HG1 H 1.095 0.030 1
1044 97 97 VAL HG2 H 0.933 0.030 1
1045 97 97 VAL C C 179.136 0.300 1
1046 97 97 VAL CA C 66.587 0.300 1
1047 97 97 VAL CB C 31.798 0.300 1
1048 97 97 VAL CG1 C 22.758 0.300 2
1049 97 97 VAL CG2 C 21.500 0.300 2
1050 97 97 VAL N N 121.374 0.300 1
1051 98 98 LEU H H 8.580 0.030 1
1052 98 98 LEU HA H 3.955 0.030 1
1053 98 98 LEU HB2 H 1.841 0.030 2
1054 98 98 LEU HB3 H 1.365 0.030 2
1055 98 98 LEU HD1 H 0.769 0.030 1
1056 98 98 LEU HD2 H 0.817 0.030 1
1057 98 98 LEU HG H 2.002 0.030 1
1058 98 98 LEU C C 178.821 0.300 1
1059 98 98 LEU CA C 58.503 0.300 1
1060 98 98 LEU CB C 40.883 0.300 1
1061 98 98 LEU CD1 C 26.382 0.300 2
1062 98 98 LEU CD2 C 23.466 0.300 2
1063 98 98 LEU CG C 27.562 0.300 1
1064 98 98 LEU N N 118.223 0.300 1
1065 99 99 GLY H H 8.087 0.030 1
1066 99 99 GLY HA2 H 3.914 0.030 2
1067 99 99 GLY HA3 H 3.775 0.030 2
1068 99 99 GLY C C 176.879 0.300 1
1069 99 99 GLY CA C 47.341 0.300 1
1070 99 99 GLY N N 105.456 0.300 1
1071 100 100 HIS H H 7.868 0.030 1
1072 100 100 HIS HA H 4.462 0.030 1
1073 100 100 HIS HB2 H 3.341 0.030 1
1074 100 100 HIS HB3 H 3.341 0.030 1
1075 100 100 HIS HD2 H 6.990 0.030 1
1076 100 100 HIS C C 178.372 0.300 1
1077 100 100 HIS CA C 59.667 0.300 1
1078 100 100 HIS CB C 30.309 0.300 1
1079 100 100 HIS CD2 C 119.687 0.300 1
1080 100 100 HIS N N 122.331 0.300 1
1081 101 101 VAL H H 8.197 0.030 1
1082 101 101 VAL HA H 3.611 0.030 1
1083 101 101 VAL HB H 2.244 0.030 1
1084 101 101 VAL HG1 H 1.131 0.030 1
1085 101 101 VAL HG2 H 0.855 0.030 1
1086 101 101 VAL C C 178.567 0.300 1
1087 101 101 VAL CA C 66.305 0.300 1
1088 101 101 VAL CB C 31.541 0.300 1
1089 101 101 VAL CG1 C 23.109 0.300 2
1090 101 101 VAL CG2 C 21.693 0.300 2
1091 101 101 VAL N N 122.158 0.300 1
1092 102 102 ALA H H 8.350 0.030 1
1093 102 102 ALA HA H 4.431 0.030 1
1094 102 102 ALA HB H 1.519 0.030 1
1095 102 102 ALA C C 178.396 0.300 1
1096 102 102 ALA CA C 54.625 0.300 1
1097 102 102 ALA CB C 18.232 0.300 1
1098 102 102 ALA N N 121.855 0.300 1
1099 103 103 LYS H H 7.651 0.030 1
1100 103 103 LYS HA H 3.833 0.030 1
1101 103 103 LYS HB2 H 1.911 0.030 1
1102 103 103 LYS HB3 H 1.911 0.030 1
1103 103 103 LYS HD2 H 1.728 0.030 1
1104 103 103 LYS HD3 H 1.728 0.030 1
1105 103 103 LYS HE2 H 3.007 0.030 1
1106 103 103 LYS HE3 H 3.007 0.030 1
1107 103 103 LYS HG2 H 1.585 0.030 2
1108 103 103 LYS HG3 H 1.483 0.030 2
1109 103 103 LYS C C 179.817 0.300 1
1110 103 103 LYS CA C 59.250 0.300 1
1111 103 103 LYS CB C 32.325 0.300 1
1112 103 103 LYS CD C 29.325 0.300 1
1113 103 103 LYS CE C 42.136 0.300 1
1114 103 103 LYS CG C 25.332 0.300 1
1115 103 103 LYS N N 115.457 0.300 1
1116 104 104 ALA H H 8.033 0.030 1
1117 104 104 ALA HA H 4.147 0.030 1
1118 104 104 ALA HB H 1.410 0.030 1
1119 104 104 ALA C C 178.821 0.300 1
1120 104 104 ALA CA C 54.049 0.300 1
1121 104 104 ALA CB C 17.905 0.300 1
1122 104 104 ALA N N 120.706 0.300 1
1123 105 105 GLY H H 7.765 0.030 1
1124 105 105 GLY HA2 H 4.246 0.030 2
1125 105 105 GLY HA3 H 3.625 0.030 2
1126 105 105 GLY C C 173.552 0.300 1
1127 105 105 GLY CA C 44.556 0.300 1
1128 105 105 GLY N N 105.726 0.300 1
1129 106 106 LEU H H 6.991 0.030 1
1130 106 106 LEU HA H 3.873 0.030 1
1131 106 106 LEU HB2 H 1.767 0.030 2
1132 106 106 LEU HB3 H 1.554 0.030 2
1133 106 106 LEU HD1 H 0.953 0.030 1
1134 106 106 LEU HD2 H 0.814 0.030 1
1135 106 106 LEU HG H 1.852 0.030 1
1136 106 106 LEU C C 177.728 0.300 1
1137 106 106 LEU CA C 57.654 0.300 1
1138 106 106 LEU CB C 42.892 0.300 1
1139 106 106 LEU CD1 C 25.255 0.300 2
1140 106 106 LEU CD2 C 24.472 0.300 2
1141 106 106 LEU CG C 26.977 0.300 1
1142 106 106 LEU N N 121.215 0.300 1
1143 107 107 GLY H H 8.434 0.030 1
1144 107 107 GLY HA2 H 4.354 0.030 2
1145 107 107 GLY HA3 H 2.955 0.030 2
1146 107 107 GLY C C 173.379 0.300 1
1147 107 107 GLY CA C 44.670 0.300 1
1148 107 107 GLY N N 110.667 0.300 1
1149 108 108 THR H H 8.062 0.030 1
1150 108 108 THR HA H 4.500 0.030 1
1151 108 108 THR HB H 4.118 0.030 1
1152 108 108 THR HG2 H 1.095 0.030 1
1153 108 108 THR C C 170.772 0.300 1
1154 108 108 THR CA C 59.738 0.300 1
1155 108 108 THR CB C 72.344 0.300 1
1156 108 108 THR CG2 C 21.475 0.300 1
1157 108 108 THR N N 113.638 0.300 1
1158 109 109 ALA H H 7.839 0.030 1
1159 109 109 ALA HA H 4.319 0.030 1
1160 109 109 ALA HB H 1.293 0.030 1
1161 109 109 ALA C C 178.251 0.300 1
1162 109 109 ALA CA C 52.706 0.300 1
1163 109 109 ALA CB C 17.220 0.300 1
1164 109 109 ALA N N 120.534 0.300 1
1165 110 110 MET H H 8.257 0.030 1
1166 110 110 MET HA H 4.987 0.030 1
1167 110 110 MET HB2 H 2.142 0.030 1
1168 110 110 MET HB3 H 2.142 0.030 1
1169 110 110 MET HE H 2.155 0.030 1
1170 110 110 MET HG2 H 2.947 0.030 2
1171 110 110 MET HG3 H 2.325 0.030 2
1172 110 110 MET C C 176.429 0.300 1
1173 110 110 MET CA C 55.997 0.300 1
1174 110 110 MET CB C 36.527 0.300 1
1175 110 110 MET CE C 16.979 0.300 1
1176 110 110 MET CG C 30.956 0.300 1
1177 110 110 MET N N 123.344 0.300 1
1178 111 111 LEU H H 9.498 0.030 1
1179 111 111 LEU HA H 3.856 0.030 1
1180 111 111 LEU HB2 H 1.969 0.030 2
1181 111 111 LEU HB3 H 1.023 0.030 2
1182 111 111 LEU HD1 H 0.427 0.030 1
1183 111 111 LEU HD2 H 0.577 0.030 1
1184 111 111 LEU HG H 2.291 0.030 1
1185 111 111 LEU C C 178.554 0.300 1
1186 111 111 LEU CA C 59.888 0.300 1
1187 111 111 LEU CB C 41.390 0.300 1
1188 111 111 LEU CD1 C 26.061 0.300 2
1189 111 111 LEU CD2 C 22.600 0.300 2
1190 111 111 LEU CG C 26.041 0.300 1
1191 111 111 LEU N N 123.290 0.300 1
1192 112 112 TYR H H 9.152 0.030 1
1193 112 112 TYR HA H 4.188 0.030 1
1194 112 112 TYR HB2 H 3.136 0.030 2
1195 112 112 TYR HB3 H 2.933 0.030 2
1196 112 112 TYR HD1 H 7.103 0.030 1
1197 112 112 TYR HD2 H 7.103 0.030 1
1198 112 112 TYR HE1 H 6.713 0.030 1
1199 112 112 TYR HE2 H 6.713 0.030 1
1200 112 112 TYR C C 176.296 0.300 1
1201 112 112 TYR CA C 61.331 0.300 1
1202 112 112 TYR CB C 38.250 0.300 1
1203 112 112 TYR CD1 C 133.281 0.300 1
1204 112 112 TYR CD2 C 133.281 0.300 1
1205 112 112 TYR CE1 C 118.177 0.300 1
1206 112 112 TYR CE2 C 118.177 0.300 1
1207 112 112 TYR N N 118.389 0.300 1
1208 113 113 GLU H H 8.028 0.030 1
1209 113 113 GLU HA H 3.732 0.030 1
1210 113 113 GLU HB2 H 2.117 0.030 2
1211 113 113 GLU HB3 H 1.889 0.030 2
1212 113 113 GLU HG2 H 2.338 0.030 2
1213 113 113 GLU HG3 H 2.300 0.030 2
1214 113 113 GLU C C 179.793 0.300 1
1215 113 113 GLU CA C 59.728 0.300 1
1216 113 113 GLU CB C 28.863 0.300 1
1217 113 113 GLU CG C 36.775 0.300 1
1218 113 113 GLU N N 117.099 0.300 1
1219 114 114 LEU H H 7.953 0.030 1
1220 114 114 LEU HA H 3.892 0.030 1
1221 114 114 LEU HB2 H 2.109 0.030 2
1222 114 114 LEU HB3 H 1.212 0.030 2
1223 114 114 LEU HD1 H 0.838 0.030 1
1224 114 114 LEU HD2 H 0.864 0.030 1
1225 114 114 LEU HG H 1.896 0.030 1
1226 114 114 LEU C C 177.668 0.300 1
1227 114 114 LEU CA C 58.548 0.300 1
1228 114 114 LEU CB C 42.742 0.300 1
1229 114 114 LEU CD1 C 26.650 0.300 2
1230 114 114 LEU CD2 C 25.286 0.300 2
1231 114 114 LEU CG C 26.995 0.300 1
1232 114 114 LEU N N 118.961 0.300 1
1233 115 115 ILE H H 7.999 0.030 1
1234 115 115 ILE HA H 3.226 0.030 1
1235 115 115 ILE HB H 1.848 0.030 1
1236 115 115 ILE HD1 H 0.549 0.030 1
1237 115 115 ILE HG12 H 1.766 0.030 2
1238 115 115 ILE HG13 H 0.548 0.030 2
1239 115 115 ILE HG2 H 0.522 0.030 1
1240 115 115 ILE C C 178.311 0.300 1
1241 115 115 ILE CA C 66.173 0.300 1
1242 115 115 ILE CB C 38.140 0.300 1
1243 115 115 ILE CD1 C 14.193 0.300 1
1244 115 115 ILE CG1 C 30.034 0.300 1
1245 115 115 ILE CG2 C 18.408 0.300 1
1246 115 115 ILE N N 119.299 0.300 1
1247 116 116 GLU H H 8.423 0.030 1
1248 116 116 GLU HA H 3.737 0.030 1
1249 116 116 GLU HB2 H 1.925 0.030 2
1250 116 116 GLU HB3 H 1.643 0.030 2
1251 116 116 GLU HG2 H 1.835 0.030 2
1252 116 116 GLU HG3 H 1.565 0.030 2
1253 116 116 GLU C C 180.315 0.300 1
1254 116 116 GLU CA C 58.979 0.300 1
1255 116 116 GLU CB C 29.102 0.300 1
1256 116 116 GLU CG C 36.363 0.300 1
1257 116 116 GLU N N 116.034 0.300 1
1258 117 117 LYS H H 8.278 0.030 1
1259 117 117 LYS HA H 4.217 0.030 1
1260 117 117 LYS HB2 H 2.024 0.030 2
1261 117 117 LYS HB3 H 1.955 0.030 2
1262 117 117 LYS HD2 H 1.741 0.030 1
1263 117 117 LYS HD3 H 1.741 0.030 1
1264 117 117 LYS HE2 H 2.867 0.030 2
1265 117 117 LYS HE3 H 2.728 0.030 2
1266 117 117 LYS HG2 H 1.409 0.030 1
1267 117 117 LYS HG3 H 1.409 0.030 1
1268 117 117 LYS C C 178.579 0.300 1
1269 117 117 LYS CA C 57.256 0.300 1
1270 117 117 LYS CB C 29.770 0.300 1
1271 117 117 LYS CD C 27.438 0.300 1
1272 117 117 LYS CE C 41.842 0.300 1
1273 117 117 LYS CG C 24.774 0.300 1
1274 117 117 LYS N N 121.349 0.300 1
1275 118 118 GLY H H 8.204 0.030 1
1276 118 118 GLY HA2 H 3.701 0.030 2
1277 118 118 GLY HA3 H 3.523 0.030 2
1278 118 118 GLY C C 173.916 0.300 1
1279 118 118 GLY CA C 47.600 0.300 1
1280 118 118 GLY N N 107.196 0.300 1
1281 119 119 LYS H H 7.670 0.030 1
1282 119 119 LYS HA H 3.806 0.030 1
1283 119 119 LYS HB2 H 1.955 0.030 2
1284 119 119 LYS HB3 H 1.879 0.030 2
1285 119 119 LYS HD2 H 1.775 0.030 2
1286 119 119 LYS HD3 H 1.722 0.030 2
1287 119 119 LYS HE2 H 2.992 0.030 2
1288 119 119 LYS HE3 H 2.923 0.030 2
1289 119 119 LYS HG2 H 1.653 0.030 2
1290 119 119 LYS HG3 H 1.451 0.030 2
1291 119 119 LYS C C 179.137 0.300 1
1292 119 119 LYS CA C 59.814 0.300 1
1293 119 119 LYS CB C 32.695 0.300 1
1294 119 119 LYS CD C 29.728 0.300 1
1295 119 119 LYS CE C 41.634 0.300 1
1296 119 119 LYS CG C 26.307 0.300 1
1297 119 119 LYS N N 118.266 0.300 1
1298 120 120 GLU H H 8.164 0.030 1
1299 120 120 GLU HA H 4.070 0.030 1
1300 120 120 GLU HB2 H 2.290 0.030 2
1301 120 120 GLU HB3 H 2.208 0.030 2
1302 120 120 GLU HG2 H 2.398 0.030 2
1303 120 120 GLU HG3 H 2.133 0.030 2
1304 120 120 GLU C C 179.622 0.300 1
1305 120 120 GLU CA C 59.028 0.300 1
1306 120 120 GLU CB C 30.321 0.300 1
1307 120 120 GLU CG C 36.116 0.300 1
1308 120 120 GLU N N 121.692 0.300 1
1309 121 121 ILE H H 8.175 0.030 1
1310 121 121 ILE HA H 3.928 0.030 1
1311 121 121 ILE HB H 1.935 0.030 1
1312 121 121 ILE HD1 H 0.863 0.030 1
1313 121 121 ILE HG12 H 1.760 0.030 2
1314 121 121 ILE HG13 H 1.304 0.030 2
1315 121 121 ILE HG2 H 0.952 0.030 1
1316 121 121 ILE C C 177.947 0.300 1
1317 121 121 ILE CA C 63.887 0.300 1
1318 121 121 ILE CB C 38.175 0.300 1
1319 121 121 ILE CD1 C 14.692 0.300 1
1320 121 121 ILE CG1 C 28.317 0.300 1
1321 121 121 ILE CG2 C 17.967 0.300 1
1322 121 121 ILE N N 118.715 0.300 1
1323 122 122 LEU H H 7.577 0.030 1
1324 122 122 LEU HA H 4.229 0.030 1
1325 122 122 LEU HB2 H 1.832 0.030 2
1326 122 122 LEU HB3 H 1.563 0.030 2
1327 122 122 LEU HD1 H 0.725 0.030 1
1328 122 122 LEU HD2 H 0.807 0.030 1
1329 122 122 LEU HG H 1.840 0.030 1
1330 122 122 LEU C C 177.644 0.300 1
1331 122 122 LEU CA C 56.038 0.300 1
1332 122 122 LEU CB C 42.469 0.300 1
1333 122 122 LEU CD1 C 25.548 0.300 2
1334 122 122 LEU CD2 C 23.282 0.300 2
1335 122 122 LEU CG C 26.398 0.300 1
1336 122 122 LEU N N 118.646 0.300 1
1337 123 123 SER H H 7.801 0.030 1
1338 123 123 SER HA H 4.503 0.030 1
1339 123 123 SER HB2 H 4.030 0.030 1
1340 123 123 SER HB3 H 4.030 0.030 1
1341 123 123 SER C C 174.353 0.300 1
1342 123 123 SER CA C 59.586 0.300 1
1343 123 123 SER CB C 64.035 0.300 1
1344 123 123 SER N N 113.170 0.300 1
1345 124 124 GLY H H 7.892 0.030 1
1346 124 124 GLY HA2 H 4.221 0.030 2
1347 124 124 GLY HA3 H 4.126 0.030 2
1348 124 124 GLY C C 171.597 0.300 1
1349 124 124 GLY CA C 44.969 0.300 1
1350 124 124 GLY N N 109.619 0.300 1
1351 125 125 PRO HA H 4.515 0.030 1
1352 125 125 PRO HB2 H 2.310 0.030 2
1353 125 125 PRO HB3 H 1.990 0.030 2
1354 125 125 PRO HD2 H 3.672 0.030 1
1355 125 125 PRO HD3 H 3.672 0.030 1
1356 125 125 PRO HG2 H 2.035 0.030 1
1357 125 125 PRO HG3 H 2.035 0.030 1
1358 125 125 PRO CA C 63.209 0.300 1
1359 125 125 PRO CB C 32.221 0.300 1
1360 125 125 PRO CD C 49.918 0.300 1
1361 125 125 PRO CG C 27.215 0.300 1
1362 126 126 SER H H 8.579 0.030 1
1363 126 126 SER CA C 58.533 0.300 1
1364 126 126 SER CB C 63.890 0.300 1
1365 126 126 SER N N 116.646 0.300 1
stop_
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