data_11329
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the Bromodomain of human SWI/SNF related matrix
associated actin dependent regulator of cromatin subfamily A member 2
;
_BMRB_accession_number 11329
_BMRB_flat_file_name bmr11329.str
_Entry_type original
_Submission_date 2010-08-10
_Accession_date 2010-08-10
_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 Saito K. . .
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" 727
"13C chemical shifts" 528
"15N chemical shifts" 115
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 Bromodomain of human SWI/SNF related matrix
associated actin dependent regulator of cromatin subfamily A member 2
;
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Yoneyama M. . .
2 Kigawa T. . .
3 Saito K. . .
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 'Possible global transcription activator SNF2L2'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Bromodomain $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 Bromodomain
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 123
_Mol_residue_sequence
;
GSSGSSGSPNPPKLTKQMNA
IIDTVINYKDSSGRQLSEVF
IQLPSRKELPEYYELIRKPV
DFKKIKERIRNHKYRSLGDL
EKDVMLLCHNAQTFNLEGSQ
IYEDSIVLQSVFKSARQSGP
SSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 SER 9 PRO 10 ASN
11 PRO 12 PRO 13 LYS 14 LEU 15 THR
16 LYS 17 GLN 18 MET 19 ASN 20 ALA
21 ILE 22 ILE 23 ASP 24 THR 25 VAL
26 ILE 27 ASN 28 TYR 29 LYS 30 ASP
31 SER 32 SER 33 GLY 34 ARG 35 GLN
36 LEU 37 SER 38 GLU 39 VAL 40 PHE
41 ILE 42 GLN 43 LEU 44 PRO 45 SER
46 ARG 47 LYS 48 GLU 49 LEU 50 PRO
51 GLU 52 TYR 53 TYR 54 GLU 55 LEU
56 ILE 57 ARG 58 LYS 59 PRO 60 VAL
61 ASP 62 PHE 63 LYS 64 LYS 65 ILE
66 LYS 67 GLU 68 ARG 69 ILE 70 ARG
71 ASN 72 HIS 73 LYS 74 TYR 75 ARG
76 SER 77 LEU 78 GLY 79 ASP 80 LEU
81 GLU 82 LYS 83 ASP 84 VAL 85 MET
86 LEU 87 LEU 88 CYS 89 HIS 90 ASN
91 ALA 92 GLN 93 THR 94 PHE 95 ASN
96 LEU 97 GLU 98 GLY 99 SER 100 GLN
101 ILE 102 TYR 103 GLU 104 ASP 105 SER
106 ILE 107 VAL 108 LEU 109 GLN 110 SER
111 VAL 112 PHE 113 LYS 114 SER 115 ALA
116 ARG 117 GLN 118 SER 119 GLY 120 PRO
121 SER 122 SER 123 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 2DAT "Solution Structure Of The Bromodomain Of Human SwiSNF Related Matrix Associated Actin Dependent Regulator Of Cromatin Subfamily" 100.00 123 100.00 100.00 3.27e-83
DBJ BAA05142 "transcriptional activator hSNF2a [Homo sapiens]" 89.43 1572 100.00 100.00 2.67e-66
DBJ BAB27925 "unnamed protein product [Mus musculus]" 89.43 236 99.09 100.00 8.24e-74
DBJ BAC04280 "unnamed protein product [Homo sapiens]" 89.43 278 100.00 100.00 1.72e-73
DBJ BAE90149 "unnamed protein product [Macaca fascicularis]" 89.43 183 99.09 99.09 7.36e-74
DBJ BAG60343 "unnamed protein product [Homo sapiens]" 89.43 276 100.00 100.00 1.67e-73
EMBL CAA62832 "BRM protein [Gallus gallus]" 89.43 1568 100.00 100.00 2.31e-66
EMBL CAH89596 "hypothetical protein [Pongo abelii]" 89.43 248 100.00 100.00 4.26e-74
GB AAH22975 "Smarca2 protein, partial [Mus musculus]" 89.43 495 99.09 100.00 2.06e-70
GB AAH56199 "Smarca2 protein, partial [Mus musculus]" 89.43 985 99.09 100.00 4.38e-67
GB AAH75641 "Smarca2 protein [Mus musculus]" 89.43 1577 99.09 100.00 5.53e-66
GB AAI42522 "SMARCA2 protein [Bos taurus]" 89.43 1554 100.00 100.00 2.63e-66
GB AAI56186 "SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2, partial [synthetic construct" 89.43 1572 100.00 100.00 2.88e-66
REF NP_001092585 "probable global transcription activator SNF2L2 [Bos taurus]" 89.43 1554 100.00 100.00 2.63e-66
REF NP_001124708 "probable global transcription activator SNF2L2 [Pongo abelii]" 89.43 248 100.00 100.00 4.26e-74
REF NP_001276326 "probable global transcription activator SNF2L2 isoform c [Homo sapiens]" 89.43 1514 100.00 100.00 2.07e-66
REF NP_001276327 "probable global transcription activator SNF2L2 isoform d [Homo sapiens]" 89.43 248 100.00 100.00 4.80e-74
REF NP_001276328 "probable global transcription activator SNF2L2 isoform e precursor [Homo sapiens]" 89.43 276 100.00 100.00 1.67e-73
SP Q6DIC0 "RecName: Full=Probable global transcription activator SNF2L2; AltName: Full=ATP-dependent helicase SMARCA2; AltName: Full=BRG1-" 89.43 1577 99.09 100.00 5.53e-66
TPG DAA26902 "TPA: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin a2 [Bos taurus]" 89.43 1554 100.00 100.00 2.63e-66
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 P050302-31
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.39mM Bromodomain U-15N, {13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 75mM Guanidine {oxalate;} 10% D2O
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.39 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'
'Guanidine oxalate' 75 mM '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' 195 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 298 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$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 Bromodomain
_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 8 8 SER HA H 4.668 0.030 1
2 8 8 SER HB2 H 3.859 0.030 2
3 8 8 SER HB3 H 3.787 0.030 2
4 8 8 SER CA C 56.356 0.300 1
5 8 8 SER CB C 63.081 0.300 1
6 9 9 PRO HA H 3.207 0.030 1
7 9 9 PRO HB2 H 1.807 0.030 2
8 9 9 PRO HB3 H 1.673 0.030 2
9 9 9 PRO HD2 H 3.705 0.030 2
10 9 9 PRO HD3 H 3.573 0.030 2
11 9 9 PRO HG2 H 1.928 0.030 2
12 9 9 PRO HG3 H 1.873 0.030 2
13 9 9 PRO C C 177.362 0.300 1
14 9 9 PRO CA C 62.527 0.300 1
15 9 9 PRO CB C 31.922 0.300 1
16 9 9 PRO CD C 50.280 0.300 1
17 9 9 PRO CG C 27.301 0.300 1
18 10 10 ASN H H 7.171 0.030 1
19 10 10 ASN HA H 4.973 0.030 1
20 10 10 ASN HB2 H 2.642 0.030 2
21 10 10 ASN HB3 H 2.538 0.030 2
22 10 10 ASN HD21 H 8.212 0.030 2
23 10 10 ASN HD22 H 8.141 0.030 2
24 10 10 ASN C C 173.444 0.300 1
25 10 10 ASN CA C 51.818 0.300 1
26 10 10 ASN CB C 38.443 0.300 1
27 10 10 ASN N N 119.915 0.300 1
28 10 10 ASN ND2 N 112.930 0.300 1
29 11 11 PRO HA H 4.841 0.030 1
30 11 11 PRO HB2 H 2.547 0.030 2
31 11 11 PRO HB3 H 1.964 0.030 2
32 11 11 PRO HD2 H 3.992 0.030 2
33 11 11 PRO HD3 H 3.534 0.030 2
34 11 11 PRO HG2 H 2.269 0.030 2
35 11 11 PRO HG3 H 2.173 0.030 2
36 11 11 PRO CA C 61.642 0.300 1
37 11 11 PRO CB C 31.444 0.300 1
38 11 11 PRO CD C 50.549 0.300 1
39 11 11 PRO CG C 28.228 0.300 1
40 12 12 PRO HA H 4.432 0.030 1
41 12 12 PRO HB2 H 2.434 0.030 2
42 12 12 PRO HB3 H 2.023 0.030 2
43 12 12 PRO HD2 H 3.994 0.030 2
44 12 12 PRO HD3 H 3.940 0.030 2
45 12 12 PRO HG2 H 2.209 0.030 2
46 12 12 PRO HG3 H 2.116 0.030 2
47 12 12 PRO C C 178.897 0.300 1
48 12 12 PRO CA C 65.345 0.300 1
49 12 12 PRO CB C 31.993 0.300 1
50 12 12 PRO CD C 50.858 0.300 1
51 12 12 PRO CG C 27.743 0.300 1
52 13 13 LYS H H 8.733 0.030 1
53 13 13 LYS HA H 4.060 0.030 1
54 13 13 LYS HB2 H 1.902 0.030 2
55 13 13 LYS HB3 H 1.789 0.030 2
56 13 13 LYS HD2 H 1.705 0.030 1
57 13 13 LYS HD3 H 1.705 0.030 1
58 13 13 LYS HE2 H 2.979 0.030 2
59 13 13 LYS HE3 H 2.896 0.030 2
60 13 13 LYS HG2 H 1.541 0.030 2
61 13 13 LYS HG3 H 1.448 0.030 2
62 13 13 LYS C C 178.830 0.300 1
63 13 13 LYS CA C 59.561 0.300 1
64 13 13 LYS CB C 32.349 0.300 1
65 13 13 LYS CD C 29.497 0.300 1
66 13 13 LYS CE C 41.415 0.300 1
67 13 13 LYS CG C 25.201 0.300 1
68 13 13 LYS N N 116.509 0.300 1
69 14 14 LEU H H 7.585 0.030 1
70 14 14 LEU HA H 4.486 0.030 1
71 14 14 LEU HB2 H 1.958 0.030 2
72 14 14 LEU HB3 H 1.737 0.030 2
73 14 14 LEU HD1 H 1.024 0.030 1
74 14 14 LEU HD2 H 0.815 0.030 1
75 14 14 LEU HG H 1.554 0.030 1
76 14 14 LEU C C 178.488 0.300 1
77 14 14 LEU CA C 57.396 0.300 1
78 14 14 LEU CB C 41.760 0.300 1
79 14 14 LEU CD1 C 22.990 0.300 2
80 14 14 LEU CD2 C 25.951 0.300 2
81 14 14 LEU N N 121.646 0.300 1
82 15 15 THR H H 7.702 0.030 1
83 15 15 THR HA H 3.711 0.030 1
84 15 15 THR HB H 4.103 0.030 1
85 15 15 THR HG2 H 1.288 0.030 1
86 15 15 THR C C 175.874 0.300 1
87 15 15 THR CA C 68.173 0.300 1
88 15 15 THR CB C 69.160 0.300 1
89 15 15 THR CG2 C 22.297 0.300 1
90 15 15 THR N N 117.621 0.300 1
91 16 16 LYS H H 8.285 0.030 1
92 16 16 LYS HA H 4.157 0.030 1
93 16 16 LYS HB2 H 1.919 0.030 1
94 16 16 LYS HB3 H 1.919 0.030 1
95 16 16 LYS HD2 H 1.704 0.030 1
96 16 16 LYS HD3 H 1.704 0.030 1
97 16 16 LYS HE2 H 2.977 0.030 1
98 16 16 LYS HE3 H 2.977 0.030 1
99 16 16 LYS HG2 H 1.572 0.030 2
100 16 16 LYS HG3 H 1.438 0.030 2
101 16 16 LYS C C 179.313 0.300 1
102 16 16 LYS CA C 59.876 0.300 1
103 16 16 LYS CB C 32.547 0.300 1
104 16 16 LYS CD C 29.486 0.300 1
105 16 16 LYS CE C 42.174 0.300 1
106 16 16 LYS CG C 25.284 0.300 1
107 16 16 LYS N N 119.610 0.300 1
108 17 17 GLN H H 7.925 0.030 1
109 17 17 GLN HA H 4.179 0.030 1
110 17 17 GLN HB2 H 2.318 0.030 2
111 17 17 GLN HB3 H 2.225 0.030 2
112 17 17 GLN HE21 H 7.430 0.030 2
113 17 17 GLN HE22 H 6.749 0.030 2
114 17 17 GLN HG2 H 2.609 0.030 2
115 17 17 GLN HG3 H 2.288 0.030 2
116 17 17 GLN C C 178.560 0.300 1
117 17 17 GLN CA C 59.177 0.300 1
118 17 17 GLN CB C 28.764 0.300 1
119 17 17 GLN CG C 33.824 0.300 1
120 17 17 GLN N N 120.754 0.300 1
121 17 17 GLN NE2 N 110.170 0.300 1
122 18 18 MET H H 8.671 0.030 1
123 18 18 MET HA H 3.742 0.030 1
124 18 18 MET HB2 H 2.417 0.030 2
125 18 18 MET HB3 H 1.845 0.030 2
126 18 18 MET HE H 1.950 0.030 1
127 18 18 MET HG2 H 3.096 0.030 2
128 18 18 MET HG3 H 2.167 0.030 2
129 18 18 MET C C 177.545 0.300 1
130 18 18 MET CA C 61.063 0.300 1
131 18 18 MET CB C 33.866 0.300 1
132 18 18 MET CE C 17.971 0.300 1
133 18 18 MET CG C 34.563 0.300 1
134 18 18 MET N N 117.224 0.300 1
135 19 19 ASN H H 8.329 0.030 1
136 19 19 ASN HA H 4.472 0.030 1
137 19 19 ASN HB2 H 2.795 0.030 2
138 19 19 ASN HB3 H 2.736 0.030 2
139 19 19 ASN HD21 H 7.379 0.030 2
140 19 19 ASN HD22 H 7.063 0.030 2
141 19 19 ASN C C 176.468 0.300 1
142 19 19 ASN CA C 56.394 0.300 1
143 19 19 ASN CB C 38.808 0.300 1
144 19 19 ASN N N 115.622 0.300 1
145 19 19 ASN ND2 N 114.783 0.300 1
146 20 20 ALA H H 8.307 0.030 1
147 20 20 ALA HA H 4.176 0.030 1
148 20 20 ALA HB H 1.518 0.030 1
149 20 20 ALA C C 181.210 0.300 1
150 20 20 ALA CA C 55.396 0.300 1
151 20 20 ALA CB C 18.025 0.300 1
152 20 20 ALA N N 122.155 0.300 1
153 21 21 ILE H H 8.181 0.030 1
154 21 21 ILE HA H 3.560 0.030 1
155 21 21 ILE HB H 1.743 0.030 1
156 21 21 ILE HD1 H 0.690 0.030 1
157 21 21 ILE HG12 H 1.883 0.030 2
158 21 21 ILE HG13 H 0.650 0.030 2
159 21 21 ILE HG2 H 0.601 0.030 1
160 21 21 ILE C C 177.700 0.300 1
161 21 21 ILE CA C 65.416 0.300 1
162 21 21 ILE CB C 38.570 0.300 1
163 21 21 ILE CD1 C 15.313 0.300 1
164 21 21 ILE CG1 C 29.223 0.300 1
165 21 21 ILE CG2 C 18.500 0.300 1
166 21 21 ILE N N 119.052 0.300 1
167 22 22 ILE H H 8.069 0.030 1
168 22 22 ILE HA H 4.055 0.030 1
169 22 22 ILE HB H 2.109 0.030 1
170 22 22 ILE HD1 H 1.044 0.030 1
171 22 22 ILE HG12 H 1.869 0.030 2
172 22 22 ILE HG13 H 1.517 0.030 2
173 22 22 ILE HG2 H 1.084 0.030 1
174 22 22 ILE C C 177.471 0.300 1
175 22 22 ILE CA C 60.769 0.300 1
176 22 22 ILE CB C 36.189 0.300 1
177 22 22 ILE CD1 C 11.658 0.300 1
178 22 22 ILE CG1 C 28.600 0.300 1
179 22 22 ILE CG2 C 19.497 0.300 1
180 22 22 ILE N N 118.451 0.300 1
181 23 23 ASP H H 8.977 0.030 1
182 23 23 ASP HA H 4.334 0.030 1
183 23 23 ASP HB2 H 2.492 0.030 2
184 23 23 ASP HB3 H 2.785 0.030 2
185 23 23 ASP C C 178.513 0.300 1
186 23 23 ASP CA C 57.809 0.300 1
187 23 23 ASP CB C 39.283 0.300 1
188 23 23 ASP N N 123.360 0.300 1
189 24 24 THR H H 7.739 0.030 1
190 24 24 THR HA H 3.875 0.030 1
191 24 24 THR HB H 4.449 0.030 1
192 24 24 THR HG2 H 1.169 0.030 1
193 24 24 THR C C 176.209 0.300 1
194 24 24 THR CA C 67.090 0.300 1
195 24 24 THR CB C 68.365 0.300 1
196 24 24 THR CG2 C 21.261 0.300 1
197 24 24 THR N N 117.725 0.300 1
198 25 25 VAL H H 7.455 0.030 1
199 25 25 VAL HA H 3.483 0.030 1
200 25 25 VAL HB H 2.299 0.030 1
201 25 25 VAL HG1 H 0.899 0.030 1
202 25 25 VAL HG2 H 1.160 0.030 1
203 25 25 VAL C C 177.219 0.300 1
204 25 25 VAL CA C 66.202 0.300 1
205 25 25 VAL CB C 31.892 0.300 1
206 25 25 VAL CG1 C 23.605 0.300 2
207 25 25 VAL CG2 C 23.123 0.300 2
208 25 25 VAL N N 120.435 0.300 1
209 26 26 ILE H H 8.782 0.030 1
210 26 26 ILE HA H 3.074 0.030 1
211 26 26 ILE HB H 1.629 0.030 1
212 26 26 ILE HD1 H 0.649 0.030 1
213 26 26 ILE HG12 H 1.175 0.030 2
214 26 26 ILE HG13 H 0.016 0.030 2
215 26 26 ILE HG2 H 0.634 0.030 1
216 26 26 ILE C C 177.749 0.300 1
217 26 26 ILE CA C 65.148 0.300 1
218 26 26 ILE CB C 37.995 0.300 1
219 26 26 ILE CD1 C 14.334 0.300 1
220 26 26 ILE CG1 C 29.474 0.300 1
221 26 26 ILE CG2 C 16.313 0.300 1
222 26 26 ILE N N 119.111 0.300 1
223 27 27 ASN H H 8.208 0.030 1
224 27 27 ASN HA H 4.503 0.030 1
225 27 27 ASN HB2 H 2.783 0.030 1
226 27 27 ASN HB3 H 2.783 0.030 1
227 27 27 ASN HD21 H 7.425 0.030 2
228 27 27 ASN HD22 H 6.908 0.030 2
229 27 27 ASN C C 174.975 0.300 1
230 27 27 ASN CA C 53.803 0.300 1
231 27 27 ASN CB C 38.738 0.300 1
232 27 27 ASN N N 113.755 0.300 1
233 27 27 ASN ND2 N 112.625 0.300 1
234 28 28 TYR H H 7.070 0.030 1
235 28 28 TYR HA H 4.103 0.030 1
236 28 28 TYR HB2 H 3.007 0.030 2
237 28 28 TYR HB3 H 3.255 0.030 2
238 28 28 TYR HD1 H 6.954 0.030 1
239 28 28 TYR HD2 H 6.954 0.030 1
240 28 28 TYR HE1 H 6.687 0.030 1
241 28 28 TYR HE2 H 6.687 0.030 1
242 28 28 TYR C C 174.882 0.300 1
243 28 28 TYR CA C 61.272 0.300 1
244 28 28 TYR CB C 37.998 0.300 1
245 28 28 TYR CD1 C 132.800 0.300 1
246 28 28 TYR CD2 C 132.800 0.300 1
247 28 28 TYR CE1 C 118.145 0.300 1
248 28 28 TYR CE2 C 118.145 0.300 1
249 28 28 TYR N N 121.444 0.300 1
250 29 29 LYS H H 7.299 0.030 1
251 29 29 LYS HA H 5.097 0.030 1
252 29 29 LYS HB2 H 1.390 0.030 2
253 29 29 LYS HB3 H 1.306 0.030 2
254 29 29 LYS HD2 H 1.555 0.030 2
255 29 29 LYS HD3 H 1.495 0.030 2
256 29 29 LYS HE2 H 2.955 0.030 1
257 29 29 LYS HE3 H 2.955 0.030 1
258 29 29 LYS HG2 H 1.454 0.030 2
259 29 29 LYS HG3 H 0.954 0.030 2
260 29 29 LYS C C 175.372 0.300 1
261 29 29 LYS CA C 53.282 0.300 1
262 29 29 LYS CB C 36.583 0.300 1
263 29 29 LYS CD C 29.364 0.300 1
264 29 29 LYS CE C 42.161 0.300 1
265 29 29 LYS CG C 24.839 0.300 1
266 29 29 LYS N N 127.181 0.300 1
267 30 30 ASP H H 7.953 0.030 1
268 30 30 ASP HA H 4.468 0.030 1
269 30 30 ASP HB2 H 3.580 0.030 2
270 30 30 ASP HB3 H 2.770 0.030 2
271 30 30 ASP C C 178.464 0.300 1
272 30 30 ASP CA C 51.987 0.300 1
273 30 30 ASP CB C 41.295 0.300 1
274 30 30 ASP N N 118.670 0.300 1
275 31 31 SER HA H 4.169 0.030 1
276 31 31 SER HB2 H 4.159 0.030 1
277 31 31 SER HB3 H 4.159 0.030 1
278 31 31 SER C C 175.465 0.300 1
279 31 31 SER CA C 61.278 0.300 1
280 31 31 SER CB C 62.794 0.300 1
281 32 32 SER H H 8.247 0.030 1
282 32 32 SER HA H 4.607 0.030 1
283 32 32 SER HB2 H 4.090 0.030 2
284 32 32 SER HB3 H 3.972 0.030 2
285 32 32 SER C C 174.685 0.300 1
286 32 32 SER CA C 58.797 0.300 1
287 32 32 SER CB C 64.499 0.300 1
288 32 32 SER N N 118.027 0.300 1
289 33 33 GLY H H 8.264 0.030 1
290 33 33 GLY HA2 H 3.534 0.030 2
291 33 33 GLY HA3 H 4.292 0.030 2
292 33 33 GLY C C 173.018 0.300 1
293 33 33 GLY CA C 45.094 0.300 1
294 33 33 GLY N N 110.634 0.300 1
295 34 34 ARG H H 7.926 0.030 1
296 34 34 ARG HA H 4.203 0.030 1
297 34 34 ARG HB2 H 1.484 0.030 2
298 34 34 ARG HB3 H 1.931 0.030 2
299 34 34 ARG HD2 H 3.431 0.030 2
300 34 34 ARG HD3 H 3.063 0.030 2
301 34 34 ARG HE H 7.286 0.030 1
302 34 34 ARG HG2 H 1.499 0.030 2
303 34 34 ARG HG3 H 1.200 0.030 2
304 34 34 ARG C C 175.143 0.300 1
305 34 34 ARG CA C 56.583 0.300 1
306 34 34 ARG CB C 31.954 0.300 1
307 34 34 ARG CD C 43.428 0.300 1
308 34 34 ARG CG C 28.471 0.300 1
309 34 34 ARG N N 123.469 0.300 1
310 34 34 ARG NE N 81.037 0.300 1
311 35 35 GLN H H 8.984 0.030 1
312 35 35 GLN HA H 4.878 0.030 1
313 35 35 GLN HB2 H 2.306 0.030 2
314 35 35 GLN HB3 H 1.834 0.030 2
315 35 35 GLN HE21 H 7.137 0.030 2
316 35 35 GLN HE22 H 6.985 0.030 2
317 35 35 GLN HG2 H 2.374 0.030 1
318 35 35 GLN HG3 H 2.374 0.030 1
319 35 35 GLN C C 176.135 0.300 1
320 35 35 GLN CA C 55.143 0.300 1
321 35 35 GLN CB C 28.753 0.300 1
322 35 35 GLN CG C 34.091 0.300 1
323 35 35 GLN N N 127.672 0.300 1
324 35 35 GLN NE2 N 111.382 0.300 1
325 36 36 LEU H H 7.171 0.030 1
326 36 36 LEU HA H 4.030 0.030 1
327 36 36 LEU HB2 H 2.025 0.030 2
328 36 36 LEU HB3 H 1.678 0.030 2
329 36 36 LEU HD1 H 1.191 0.030 1
330 36 36 LEU HD2 H 1.095 0.030 1
331 36 36 LEU HG H 1.919 0.030 1
332 36 36 LEU C C 178.526 0.300 1
333 36 36 LEU CA C 59.082 0.300 1
334 36 36 LEU CB C 42.659 0.300 1
335 36 36 LEU CD1 C 25.926 0.300 2
336 36 36 LEU CD2 C 23.997 0.300 2
337 36 36 LEU CG C 29.489 0.300 1
338 36 36 LEU N N 130.644 0.300 1
339 37 37 SER H H 9.959 0.030 1
340 37 37 SER HA H 4.270 0.030 1
341 37 37 SER HB2 H 3.933 0.030 1
342 37 37 SER HB3 H 3.933 0.030 1
343 37 37 SER C C 176.586 0.300 1
344 37 37 SER CA C 60.548 0.300 1
345 37 37 SER CB C 63.120 0.300 1
346 37 37 SER N N 112.431 0.300 1
347 38 38 GLU H H 7.422 0.030 1
348 38 38 GLU HA H 4.002 0.030 1
349 38 38 GLU HB2 H 2.250 0.030 2
350 38 38 GLU HB3 H 2.148 0.030 2
351 38 38 GLU HG2 H 2.461 0.030 2
352 38 38 GLU HG3 H 2.262 0.030 2
353 38 38 GLU C C 178.968 0.300 1
354 38 38 GLU CA C 61.341 0.300 1
355 38 38 GLU CB C 30.468 0.300 1
356 38 38 GLU CG C 36.123 0.300 1
357 38 38 GLU N N 121.490 0.300 1
358 39 39 VAL H H 8.279 0.030 1
359 39 39 VAL HA H 4.174 0.030 1
360 39 39 VAL HB H 2.075 0.030 1
361 39 39 VAL HG1 H 0.663 0.030 1
362 39 39 VAL HG2 H 0.438 0.030 1
363 39 39 VAL C C 175.779 0.300 1
364 39 39 VAL CA C 63.538 0.300 1
365 39 39 VAL CB C 31.327 0.300 1
366 39 39 VAL CG1 C 20.210 0.300 2
367 39 39 VAL CG2 C 19.678 0.300 2
368 39 39 VAL N N 112.676 0.300 1
369 40 40 PHE H H 8.280 0.030 1
370 40 40 PHE HA H 4.757 0.030 1
371 40 40 PHE HB2 H 3.106 0.030 2
372 40 40 PHE HB3 H 3.537 0.030 2
373 40 40 PHE HD1 H 7.320 0.030 1
374 40 40 PHE HD2 H 7.320 0.030 1
375 40 40 PHE HE1 H 7.536 0.030 1
376 40 40 PHE HE2 H 7.536 0.030 1
377 40 40 PHE HZ H 7.230 0.030 1
378 40 40 PHE C C 176.142 0.300 1
379 40 40 PHE CA C 56.795 0.300 1
380 40 40 PHE CB C 41.257 0.300 1
381 40 40 PHE CD1 C 132.069 0.300 1
382 40 40 PHE CD2 C 132.069 0.300 1
383 40 40 PHE CE1 C 129.993 0.300 1
384 40 40 PHE CE2 C 129.993 0.300 1
385 40 40 PHE CZ C 131.361 0.300 1
386 40 40 PHE N N 117.998 0.300 1
387 41 41 ILE H H 7.535 0.030 1
388 41 41 ILE HA H 4.021 0.030 1
389 41 41 ILE HB H 2.165 0.030 1
390 41 41 ILE HD1 H 0.821 0.030 1
391 41 41 ILE HG12 H 1.797 0.030 2
392 41 41 ILE HG13 H 1.683 0.030 2
393 41 41 ILE HG2 H 1.000 0.030 1
394 41 41 ILE C C 174.522 0.300 1
395 41 41 ILE CA C 65.150 0.300 1
396 41 41 ILE CB C 36.638 0.300 1
397 41 41 ILE CD1 C 10.699 0.300 1
398 41 41 ILE CG1 C 27.944 0.300 1
399 41 41 ILE CG2 C 17.767 0.300 1
400 41 41 ILE N N 122.008 0.300 1
401 42 42 GLN H H 8.194 0.030 1
402 42 42 GLN HA H 4.991 0.030 1
403 42 42 GLN HB2 H 1.912 0.030 2
404 42 42 GLN HB3 H 1.785 0.030 2
405 42 42 GLN HE21 H 7.693 0.030 2
406 42 42 GLN HE22 H 6.829 0.030 2
407 42 42 GLN HG2 H 2.321 0.030 2
408 42 42 GLN HG3 H 2.257 0.030 2
409 42 42 GLN C C 175.715 0.300 1
410 42 42 GLN CA C 53.432 0.300 1
411 42 42 GLN CB C 32.198 0.300 1
412 42 42 GLN CG C 34.194 0.300 1
413 42 42 GLN N N 115.873 0.300 1
414 42 42 GLN NE2 N 112.789 0.300 1
415 43 43 LEU H H 10.080 0.030 1
416 43 43 LEU HA H 4.274 0.030 1
417 43 43 LEU HB2 H 1.491 0.030 2
418 43 43 LEU HB3 H 1.427 0.030 2
419 43 43 LEU HD1 H 0.825 0.030 1
420 43 43 LEU HD2 H 0.706 0.030 1
421 43 43 LEU HG H 1.731 0.030 1
422 43 43 LEU C C 179.232 0.300 1
423 43 43 LEU CA C 53.849 0.300 1
424 43 43 LEU CB C 41.897 0.300 1
425 43 43 LEU CD1 C 26.425 0.300 2
426 43 43 LEU CD2 C 23.243 0.300 2
427 43 43 LEU CG C 27.979 0.300 1
428 43 43 LEU N N 130.929 0.300 1
429 44 44 PRO HA H 4.508 0.030 1
430 44 44 PRO HB2 H 2.303 0.030 2
431 44 44 PRO HB3 H 1.769 0.030 2
432 44 44 PRO HD2 H 3.629 0.030 2
433 44 44 PRO HD3 H 2.980 0.030 2
434 44 44 PRO HG2 H 1.564 0.030 2
435 44 44 PRO HG3 H 1.711 0.030 2
436 44 44 PRO CA C 62.001 0.300 1
437 44 44 PRO CB C 32.274 0.300 1
438 44 44 PRO CD C 50.122 0.300 1
439 44 44 PRO CG C 27.271 0.300 1
440 45 45 SER H H 8.948 0.030 1
441 45 45 SER HA H 4.367 0.030 1
442 45 45 SER HB2 H 4.253 0.030 2
443 45 45 SER HB3 H 3.925 0.030 2
444 45 45 SER C C 175.030 0.300 1
445 45 45 SER CA C 57.723 0.300 1
446 45 45 SER CB C 64.661 0.300 1
447 45 45 SER N N 118.447 0.300 1
448 46 46 ARG H H 8.639 0.030 1
449 46 46 ARG HA H 3.694 0.030 1
450 46 46 ARG HB2 H 1.130 0.030 2
451 46 46 ARG HB3 H 1.393 0.030 2
452 46 46 ARG HD2 H 2.908 0.030 2
453 46 46 ARG HD3 H 2.831 0.030 2
454 46 46 ARG HG2 H 1.078 0.030 2
455 46 46 ARG HG3 H 0.895 0.030 2
456 46 46 ARG C C 177.515 0.300 1
457 46 46 ARG CA C 59.123 0.300 1
458 46 46 ARG CB C 29.736 0.300 1
459 46 46 ARG CD C 43.207 0.300 1
460 46 46 ARG CG C 27.537 0.300 1
461 46 46 ARG N N 122.860 0.300 1
462 47 47 LYS H H 7.651 0.030 1
463 47 47 LYS HA H 4.051 0.030 1
464 47 47 LYS HB2 H 1.726 0.030 1
465 47 47 LYS HB3 H 1.726 0.030 1
466 47 47 LYS HD2 H 1.669 0.030 1
467 47 47 LYS HD3 H 1.669 0.030 1
468 47 47 LYS HE2 H 3.000 0.030 1
469 47 47 LYS HE3 H 3.000 0.030 1
470 47 47 LYS HG2 H 1.437 0.030 2
471 47 47 LYS HG3 H 1.367 0.030 2
472 47 47 LYS C C 178.077 0.300 1
473 47 47 LYS CA C 57.881 0.300 1
474 47 47 LYS CB C 32.742 0.300 1
475 47 47 LYS CD C 29.239 0.300 1
476 47 47 LYS CE C 42.011 0.300 1
477 47 47 LYS CG C 25.157 0.300 1
478 47 47 LYS N N 115.359 0.300 1
479 48 48 GLU H H 7.385 0.030 1
480 48 48 GLU HA H 4.213 0.030 1
481 48 48 GLU HB2 H 2.128 0.030 2
482 48 48 GLU HB3 H 2.066 0.030 2
483 48 48 GLU HG2 H 2.292 0.030 1
484 48 48 GLU HG3 H 2.292 0.030 1
485 48 48 GLU C C 176.668 0.300 1
486 48 48 GLU CA C 57.661 0.300 1
487 48 48 GLU CB C 30.905 0.300 1
488 48 48 GLU CG C 36.820 0.300 1
489 48 48 GLU N N 117.831 0.300 1
490 49 49 LEU H H 7.903 0.030 1
491 49 49 LEU HA H 4.972 0.030 1
492 49 49 LEU HB2 H 2.072 0.030 2
493 49 49 LEU HB3 H 1.092 0.030 2
494 49 49 LEU HD1 H 1.142 0.030 1
495 49 49 LEU HD2 H 0.876 0.030 1
496 49 49 LEU HG H 1.649 0.030 1
497 49 49 LEU C C 172.974 0.300 1
498 49 49 LEU CA C 51.960 0.300 1
499 49 49 LEU CB C 43.883 0.300 1
500 49 49 LEU CD1 C 23.373 0.300 2
501 49 49 LEU CD2 C 26.479 0.300 2
502 49 49 LEU CG C 28.445 0.300 1
503 49 49 LEU N N 120.514 0.300 1
504 50 50 PRO HA H 4.537 0.030 1
505 50 50 PRO HB2 H 2.077 0.030 2
506 50 50 PRO HB3 H 2.482 0.030 2
507 50 50 PRO HD2 H 3.790 0.030 2
508 50 50 PRO HD3 H 3.410 0.030 2
509 50 50 PRO HG2 H 2.153 0.030 1
510 50 50 PRO HG3 H 2.153 0.030 1
511 50 50 PRO C C 180.685 0.300 1
512 50 50 PRO CA C 66.044 0.300 1
513 50 50 PRO CB C 31.263 0.300 1
514 50 50 PRO CD C 49.942 0.300 1
515 50 50 PRO CG C 27.508 0.300 1
516 51 51 GLU H H 10.059 0.030 1
517 51 51 GLU HA H 4.171 0.030 1
518 51 51 GLU HB2 H 2.208 0.030 1
519 51 51 GLU HB3 H 2.208 0.030 1
520 51 51 GLU HG2 H 2.495 0.030 1
521 51 51 GLU HG3 H 2.495 0.030 1
522 51 51 GLU C C 179.233 0.300 1
523 51 51 GLU CA C 59.429 0.300 1
524 51 51 GLU CB C 28.841 0.300 1
525 51 51 GLU CG C 36.415 0.300 1
526 51 51 GLU N N 118.312 0.300 1
527 52 52 TYR H H 7.698 0.030 1
528 52 52 TYR HA H 3.542 0.030 1
529 52 52 TYR HB2 H 2.286 0.030 2
530 52 52 TYR HB3 H 2.780 0.030 2
531 52 52 TYR HD1 H 4.974 0.030 1
532 52 52 TYR HD2 H 4.974 0.030 1
533 52 52 TYR HE1 H 6.061 0.030 1
534 52 52 TYR HE2 H 6.061 0.030 1
535 52 52 TYR C C 175.757 0.300 1
536 52 52 TYR CA C 61.880 0.300 1
537 52 52 TYR CB C 38.784 0.300 1
538 52 52 TYR CD1 C 132.069 0.300 1
539 52 52 TYR CD2 C 132.069 0.300 1
540 52 52 TYR CE1 C 117.145 0.300 1
541 52 52 TYR CE2 C 117.145 0.300 1
542 52 52 TYR N N 120.550 0.300 1
543 53 53 TYR H H 6.891 0.030 1
544 53 53 TYR HA H 4.073 0.030 1
545 53 53 TYR HB2 H 2.835 0.030 2
546 53 53 TYR HB3 H 3.259 0.030 2
547 53 53 TYR HD1 H 7.414 0.030 1
548 53 53 TYR HD2 H 7.414 0.030 1
549 53 53 TYR HE1 H 6.601 0.030 1
550 53 53 TYR HE2 H 6.601 0.030 1
551 53 53 TYR C C 176.682 0.300 1
552 53 53 TYR CA C 59.911 0.300 1
553 53 53 TYR CB C 38.278 0.300 1
554 53 53 TYR CD1 C 133.634 0.300 1
555 53 53 TYR CD2 C 133.634 0.300 1
556 53 53 TYR CE1 C 117.415 0.300 1
557 53 53 TYR CE2 C 117.415 0.300 1
558 53 53 TYR N N 114.384 0.300 1
559 54 54 GLU H H 7.357 0.030 1
560 54 54 GLU HA H 4.213 0.030 1
561 54 54 GLU HB2 H 2.090 0.030 1
562 54 54 GLU HB3 H 2.090 0.030 1
563 54 54 GLU HG2 H 2.399 0.030 2
564 54 54 GLU HG3 H 2.276 0.030 2
565 54 54 GLU C C 177.157 0.300 1
566 54 54 GLU CA C 57.664 0.300 1
567 54 54 GLU CB C 29.898 0.300 1
568 54 54 GLU CG C 36.042 0.300 1
569 54 54 GLU N N 117.899 0.300 1
570 55 55 LEU H H 6.931 0.030 1
571 55 55 LEU HA H 4.293 0.030 1
572 55 55 LEU HB2 H 1.675 0.030 2
573 55 55 LEU HB3 H 1.533 0.030 2
574 55 55 LEU HD1 H 0.930 0.030 1
575 55 55 LEU HD2 H 0.975 0.030 1
576 55 55 LEU HG H 1.655 0.030 1
577 55 55 LEU C C 176.392 0.300 1
578 55 55 LEU CA C 56.254 0.300 1
579 55 55 LEU CB C 44.340 0.300 1
580 55 55 LEU CD1 C 24.810 0.300 2
581 55 55 LEU CD2 C 24.132 0.300 2
582 55 55 LEU CG C 27.344 0.300 1
583 55 55 LEU N N 118.151 0.300 1
584 56 56 ILE H H 7.993 0.030 1
585 56 56 ILE HA H 3.917 0.030 1
586 56 56 ILE HB H 1.412 0.030 1
587 56 56 ILE HD1 H 0.512 0.030 1
588 56 56 ILE HG12 H 0.879 0.030 2
589 56 56 ILE HG13 H 0.157 0.030 2
590 56 56 ILE HG2 H 0.408 0.030 1
591 56 56 ILE C C 174.575 0.300 1
592 56 56 ILE CA C 57.355 0.300 1
593 56 56 ILE CB C 34.111 0.300 1
594 56 56 ILE CD1 C 9.215 0.300 1
595 56 56 ILE CG1 C 24.546 0.300 1
596 56 56 ILE CG2 C 16.536 0.300 1
597 56 56 ILE N N 120.342 0.300 1
598 57 57 ARG H H 8.092 0.030 1
599 57 57 ARG HA H 4.149 0.030 1
600 57 57 ARG HB2 H 1.913 0.030 2
601 57 57 ARG HB3 H 1.775 0.030 2
602 57 57 ARG HD2 H 3.199 0.030 1
603 57 57 ARG HD3 H 3.199 0.030 1
604 57 57 ARG HG2 H 1.744 0.030 2
605 57 57 ARG HG3 H 1.674 0.030 2
606 57 57 ARG C C 177.171 0.300 1
607 57 57 ARG CA C 57.455 0.300 1
608 57 57 ARG CB C 30.468 0.300 1
609 57 57 ARG CD C 42.753 0.300 1
610 57 57 ARG CG C 27.160 0.300 1
611 57 57 ARG N N 125.121 0.300 1
612 58 58 LYS H H 8.252 0.030 1
613 58 58 LYS HA H 4.762 0.030 1
614 58 58 LYS HB2 H 1.811 0.030 1
615 58 58 LYS HB3 H 1.811 0.030 1
616 58 58 LYS HD2 H 1.720 0.030 1
617 58 58 LYS HD3 H 1.720 0.030 1
618 58 58 LYS HE2 H 2.965 0.030 1
619 58 58 LYS HE3 H 2.965 0.030 1
620 58 58 LYS HG2 H 1.297 0.030 1
621 58 58 LYS HG3 H 1.297 0.030 1
622 58 58 LYS C C 171.670 0.300 1
623 58 58 LYS CA C 53.120 0.300 1
624 58 58 LYS CB C 33.257 0.300 1
625 58 58 LYS CD C 29.513 0.300 1
626 58 58 LYS CE C 42.147 0.300 1
627 58 58 LYS CG C 24.523 0.300 1
628 58 58 LYS N N 118.748 0.300 1
629 59 59 PRO HA H 4.140 0.030 1
630 59 59 PRO HB2 H 2.105 0.030 2
631 59 59 PRO HB3 H 2.048 0.030 2
632 59 59 PRO HD2 H 3.623 0.030 2
633 59 59 PRO HD3 H 3.499 0.030 2
634 59 59 PRO HG2 H 2.277 0.030 2
635 59 59 PRO HG3 H 1.867 0.030 2
636 59 59 PRO C C 176.572 0.300 1
637 59 59 PRO CA C 62.869 0.300 1
638 59 59 PRO CB C 33.093 0.300 1
639 59 59 PRO CD C 50.032 0.300 1
640 59 59 PRO CG C 27.756 0.300 1
641 60 60 VAL H H 8.842 0.030 1
642 60 60 VAL HA H 4.196 0.030 1
643 60 60 VAL HB H 1.963 0.030 1
644 60 60 VAL HG1 H 0.764 0.030 1
645 60 60 VAL HG2 H 0.915 0.030 1
646 60 60 VAL C C 170.853 0.300 1
647 60 60 VAL CA C 62.678 0.300 1
648 60 60 VAL CB C 34.823 0.300 1
649 60 60 VAL CG1 C 19.721 0.300 2
650 60 60 VAL CG2 C 22.147 0.300 2
651 60 60 VAL N N 121.557 0.300 1
652 61 61 ASP H H 6.880 0.030 1
653 61 61 ASP HA H 4.674 0.030 1
654 61 61 ASP HB2 H 3.220 0.030 2
655 61 61 ASP HB3 H 2.609 0.030 2
656 61 61 ASP C C 175.770 0.300 1
657 61 61 ASP CA C 52.342 0.300 1
658 61 61 ASP CB C 42.678 0.300 1
659 61 61 ASP N N 123.003 0.300 1
660 62 62 PHE H H 8.517 0.030 1
661 62 62 PHE HA H 4.431 0.030 1
662 62 62 PHE HB2 H 3.044 0.030 2
663 62 62 PHE HB3 H 3.202 0.030 2
664 62 62 PHE HD1 H 7.123 0.030 1
665 62 62 PHE HD2 H 7.123 0.030 1
666 62 62 PHE HE1 H 7.028 0.030 1
667 62 62 PHE HE2 H 7.028 0.030 1
668 62 62 PHE HZ H 6.819 0.030 1
669 62 62 PHE C C 177.755 0.300 1
670 62 62 PHE CA C 63.573 0.300 1
671 62 62 PHE CB C 39.095 0.300 1
672 62 62 PHE CD1 C 131.602 0.300 1
673 62 62 PHE CD2 C 131.602 0.300 1
674 62 62 PHE CE1 C 130.386 0.300 1
675 62 62 PHE CE2 C 130.386 0.300 1
676 62 62 PHE CZ C 129.206 0.300 1
677 62 62 PHE N N 115.183 0.300 1
678 63 63 LYS H H 8.785 0.030 1
679 63 63 LYS HA H 4.062 0.030 1
680 63 63 LYS HB2 H 1.993 0.030 2
681 63 63 LYS HB3 H 1.955 0.030 2
682 63 63 LYS HD2 H 1.696 0.030 1
683 63 63 LYS HD3 H 1.696 0.030 1
684 63 63 LYS HE2 H 2.975 0.030 1
685 63 63 LYS HE3 H 2.975 0.030 1
686 63 63 LYS HG2 H 1.622 0.030 2
687 63 63 LYS HG3 H 1.399 0.030 2
688 63 63 LYS C C 179.715 0.300 1
689 63 63 LYS CA C 60.931 0.300 1
690 63 63 LYS CB C 32.054 0.300 1
691 63 63 LYS CD C 29.671 0.300 1
692 63 63 LYS CE C 42.059 0.300 1
693 63 63 LYS CG C 25.696 0.300 1
694 63 63 LYS N N 122.392 0.300 1
695 64 64 LYS H H 8.952 0.030 1
696 64 64 LYS HA H 4.186 0.030 1
697 64 64 LYS HB2 H 1.902 0.030 2
698 64 64 LYS HB3 H 2.114 0.030 2
699 64 64 LYS HD2 H 1.816 0.030 2
700 64 64 LYS HD3 H 1.674 0.030 2
701 64 64 LYS HE2 H 3.043 0.030 2
702 64 64 LYS HE3 H 2.975 0.030 2
703 64 64 LYS HG2 H 1.623 0.030 2
704 64 64 LYS HG3 H 1.537 0.030 2
705 64 64 LYS C C 178.794 0.300 1
706 64 64 LYS CA C 58.290 0.300 1
707 64 64 LYS CB C 31.819 0.300 1
708 64 64 LYS CD C 28.377 0.300 1
709 64 64 LYS CE C 41.675 0.300 1
710 64 64 LYS CG C 24.295 0.300 1
711 64 64 LYS N N 121.886 0.300 1
712 65 65 ILE H H 7.917 0.030 1
713 65 65 ILE HA H 4.396 0.030 1
714 65 65 ILE HB H 2.065 0.030 1
715 65 65 ILE HD1 H 0.495 0.030 1
716 65 65 ILE HG12 H 1.816 0.030 2
717 65 65 ILE HG13 H 1.304 0.030 2
718 65 65 ILE HG2 H 1.151 0.030 1
719 65 65 ILE C C 178.701 0.300 1
720 65 65 ILE CA C 65.129 0.300 1
721 65 65 ILE CB C 38.466 0.300 1
722 65 65 ILE CD1 C 14.090 0.300 1
723 65 65 ILE CG1 C 28.332 0.300 1
724 65 65 ILE CG2 C 17.032 0.300 1
725 65 65 ILE N N 120.077 0.300 1
726 66 66 LYS H H 8.648 0.030 1
727 66 66 LYS HA H 4.057 0.030 1
728 66 66 LYS HB2 H 2.154 0.030 2
729 66 66 LYS HB3 H 1.887 0.030 2
730 66 66 LYS HD2 H 1.697 0.030 1
731 66 66 LYS HD3 H 1.697 0.030 1
732 66 66 LYS HE2 H 2.988 0.030 2
733 66 66 LYS HE3 H 2.899 0.030 2
734 66 66 LYS HG2 H 1.803 0.030 2
735 66 66 LYS HG3 H 1.523 0.030 2
736 66 66 LYS C C 180.030 0.300 1
737 66 66 LYS CA C 60.503 0.300 1
738 66 66 LYS CB C 31.162 0.300 1
739 66 66 LYS CD C 28.981 0.300 1
740 66 66 LYS CE C 41.467 0.300 1
741 66 66 LYS CG C 26.172 0.300 1
742 66 66 LYS N N 118.426 0.300 1
743 67 67 GLU H H 8.061 0.030 1
744 67 67 GLU HA H 3.964 0.030 1
745 67 67 GLU HB2 H 2.281 0.030 2
746 67 67 GLU HB3 H 2.211 0.030 2
747 67 67 GLU HG2 H 2.341 0.030 2
748 67 67 GLU HG3 H 2.192 0.030 2
749 67 67 GLU C C 177.962 0.300 1
750 67 67 GLU CA C 59.548 0.300 1
751 67 67 GLU CB C 29.715 0.300 1
752 67 67 GLU CG C 36.122 0.300 1
753 67 67 GLU N N 122.376 0.300 1
754 68 68 ARG H H 8.471 0.030 1
755 68 68 ARG HA H 3.744 0.030 1
756 68 68 ARG HB2 H 1.998 0.030 2
757 68 68 ARG HB3 H 0.558 0.030 2
758 68 68 ARG HD2 H 2.962 0.030 2
759 68 68 ARG HD3 H 2.890 0.030 2
760 68 68 ARG HG2 H 1.895 0.030 2
761 68 68 ARG HG3 H 1.332 0.030 2
762 68 68 ARG C C 179.088 0.300 1
763 68 68 ARG CA C 60.036 0.300 1
764 68 68 ARG CB C 29.904 0.300 1
765 68 68 ARG CD C 43.890 0.300 1
766 68 68 ARG CG C 29.744 0.300 1
767 68 68 ARG N N 121.039 0.300 1
768 69 69 ILE H H 8.181 0.030 1
769 69 69 ILE HA H 3.835 0.030 1
770 69 69 ILE HB H 2.041 0.030 1
771 69 69 ILE HD1 H 0.920 0.030 1
772 69 69 ILE HG12 H 2.501 0.030 2
773 69 69 ILE HG13 H 1.324 0.030 2
774 69 69 ILE HG2 H 1.018 0.030 1
775 69 69 ILE C C 179.112 0.300 1
776 69 69 ILE CA C 66.287 0.300 1
777 69 69 ILE CB C 39.281 0.300 1
778 69 69 ILE CD1 C 14.975 0.300 1
779 69 69 ILE CG1 C 28.309 0.300 1
780 69 69 ILE CG2 C 18.437 0.300 1
781 69 69 ILE N N 119.652 0.300 1
782 70 70 ARG H H 7.906 0.030 1
783 70 70 ARG HA H 3.861 0.030 1
784 70 70 ARG HB2 H 1.903 0.030 1
785 70 70 ARG HB3 H 1.903 0.030 1
786 70 70 ARG HD2 H 3.218 0.030 1
787 70 70 ARG HD3 H 3.218 0.030 1
788 70 70 ARG HG2 H 1.665 0.030 2
789 70 70 ARG HG3 H 1.618 0.030 2
790 70 70 ARG C C 176.856 0.300 1
791 70 70 ARG CA C 59.086 0.300 1
792 70 70 ARG CB C 30.151 0.300 1
793 70 70 ARG CD C 43.575 0.300 1
794 70 70 ARG CG C 27.179 0.300 1
795 70 70 ARG N N 121.361 0.300 1
796 71 71 ASN H H 8.001 0.030 1
797 71 71 ASN HA H 4.611 0.030 1
798 71 71 ASN HB2 H 2.940 0.030 2
799 71 71 ASN HB3 H 2.597 0.030 2
800 71 71 ASN HD21 H 7.569 0.030 2
801 71 71 ASN HD22 H 6.848 0.030 2
802 71 71 ASN C C 174.437 0.300 1
803 71 71 ASN CA C 52.300 0.300 1
804 71 71 ASN CB C 38.127 0.300 1
805 71 71 ASN N N 113.012 0.300 1
806 71 71 ASN ND2 N 112.152 0.300 1
807 72 72 HIS H H 7.441 0.030 1
808 72 72 HIS HA H 4.203 0.030 1
809 72 72 HIS HB2 H 3.405 0.030 2
810 72 72 HIS HB3 H 2.999 0.030 2
811 72 72 HIS HD2 H 7.006 0.030 1
812 72 72 HIS HE1 H 8.088 0.030 1
813 72 72 HIS C C 174.967 0.300 1
814 72 72 HIS CA C 56.835 0.300 1
815 72 72 HIS CB C 27.889 0.300 1
816 72 72 HIS CD2 C 119.895 0.300 1
817 72 72 HIS CE1 C 140.235 0.300 1
818 72 72 HIS N N 113.753 0.300 1
819 73 73 LYS H H 8.487 0.030 1
820 73 73 LYS HA H 4.099 0.030 1
821 73 73 LYS HB2 H 1.514 0.030 2
822 73 73 LYS HB3 H 1.446 0.030 2
823 73 73 LYS HD2 H 1.562 0.030 1
824 73 73 LYS HD3 H 1.562 0.030 1
825 73 73 LYS HE2 H 2.939 0.030 1
826 73 73 LYS HE3 H 2.939 0.030 1
827 73 73 LYS HG2 H 1.378 0.030 2
828 73 73 LYS HG3 H 1.192 0.030 2
829 73 73 LYS C C 178.224 0.300 1
830 73 73 LYS CA C 56.835 0.300 1
831 73 73 LYS CB C 31.710 0.300 1
832 73 73 LYS CD C 28.086 0.300 1
833 73 73 LYS CE C 42.176 0.300 1
834 73 73 LYS CG C 24.828 0.300 1
835 73 73 LYS N N 116.974 0.300 1
836 74 74 TYR H H 6.598 0.030 1
837 74 74 TYR HA H 4.913 0.030 1
838 74 74 TYR HB2 H 3.264 0.030 2
839 74 74 TYR HB3 H 2.768 0.030 2
840 74 74 TYR HD1 H 6.903 0.030 3
841 74 74 TYR HD2 H 6.903 0.030 3
842 74 74 TYR HE1 H 6.810 0.030 1
843 74 74 TYR HE2 H 6.810 0.030 1
844 74 74 TYR C C 175.803 0.300 1
845 74 74 TYR CA C 54.917 0.300 1
846 74 74 TYR CB C 39.322 0.300 1
847 74 74 TYR CD1 C 129.382 0.300 3
848 74 74 TYR CD2 C 132.651 0.300 3
849 74 74 TYR CE1 C 118.249 0.300 1
850 74 74 TYR CE2 C 118.249 0.300 1
851 74 74 TYR N N 115.686 0.300 1
852 75 75 ARG H H 9.869 0.030 1
853 75 75 ARG HA H 4.796 0.030 1
854 75 75 ARG HB2 H 1.914 0.030 2
855 75 75 ARG HB3 H 2.242 0.030 2
856 75 75 ARG HD2 H 3.279 0.030 2
857 75 75 ARG HD3 H 3.055 0.030 2
858 75 75 ARG HG2 H 1.875 0.030 2
859 75 75 ARG HG3 H 1.819 0.030 2
860 75 75 ARG C C 175.308 0.300 1
861 75 75 ARG CA C 53.742 0.300 1
862 75 75 ARG CB C 29.443 0.300 1
863 75 75 ARG CD C 41.965 0.300 1
864 75 75 ARG CG C 25.342 0.300 1
865 75 75 ARG N N 121.151 0.300 1
866 76 76 SER H H 7.820 0.030 1
867 76 76 SER HA H 4.629 0.030 1
868 76 76 SER HB2 H 4.223 0.030 2
869 76 76 SER HB3 H 4.006 0.030 2
870 76 76 SER C C 174.566 0.300 1
871 76 76 SER CA C 56.367 0.300 1
872 76 76 SER CB C 66.228 0.300 1
873 76 76 SER N N 110.592 0.300 1
874 77 77 LEU HA H 4.078 0.030 1
875 77 77 LEU HB2 H 1.898 0.030 2
876 77 77 LEU HB3 H 1.304 0.030 2
877 77 77 LEU HD1 H 0.755 0.030 1
878 77 77 LEU HD2 H 0.915 0.030 1
879 77 77 LEU HG H 1.784 0.030 1
880 77 77 LEU CA C 57.713 0.300 1
881 77 77 LEU CB C 40.814 0.300 1
882 77 77 LEU CD1 C 23.844 0.300 2
883 77 77 LEU CD2 C 25.519 0.300 2
884 77 77 LEU CG C 27.334 0.300 1
885 78 78 GLY HA2 H 3.955 0.030 2
886 78 78 GLY HA3 H 3.834 0.030 2
887 78 78 GLY C C 176.461 0.300 1
888 78 78 GLY CA C 47.234 0.300 1
889 79 79 ASP H H 7.694 0.030 1
890 79 79 ASP HA H 4.351 0.030 1
891 79 79 ASP HB2 H 3.137 0.030 2
892 79 79 ASP HB3 H 2.958 0.030 2
893 79 79 ASP C C 177.891 0.300 1
894 79 79 ASP CA C 57.306 0.300 1
895 79 79 ASP CB C 41.087 0.300 1
896 79 79 ASP N N 122.920 0.300 1
897 80 80 LEU H H 6.742 0.030 1
898 80 80 LEU HA H 2.877 0.030 1
899 80 80 LEU HB2 H 2.065 0.030 2
900 80 80 LEU HB3 H 1.091 0.030 2
901 80 80 LEU HD1 H 0.752 0.030 1
902 80 80 LEU HD2 H 1.003 0.030 1
903 80 80 LEU HG H 1.460 0.030 1
904 80 80 LEU C C 177.445 0.300 1
905 80 80 LEU CA C 57.307 0.300 1
906 80 80 LEU CB C 41.724 0.300 1
907 80 80 LEU CD1 C 24.807 0.300 2
908 80 80 LEU CD2 C 26.519 0.300 2
909 80 80 LEU CG C 27.357 0.300 1
910 80 80 LEU N N 121.100 0.300 1
911 81 81 GLU H H 8.503 0.030 1
912 81 81 GLU HA H 3.167 0.030 1
913 81 81 GLU HB2 H 2.260 0.030 1
914 81 81 GLU HB3 H 2.260 0.030 1
915 81 81 GLU HG2 H 2.085 0.030 2
916 81 81 GLU HG3 H 2.001 0.030 2
917 81 81 GLU C C 177.381 0.300 1
918 81 81 GLU CA C 59.530 0.300 1
919 81 81 GLU CB C 29.799 0.300 1
920 81 81 GLU CG C 36.715 0.300 1
921 81 81 GLU N N 118.425 0.300 1
922 82 82 LYS H H 7.663 0.030 1
923 82 82 LYS HA H 3.844 0.030 1
924 82 82 LYS HB2 H 1.915 0.030 1
925 82 82 LYS HB3 H 1.915 0.030 1
926 82 82 LYS HD2 H 1.694 0.030 1
927 82 82 LYS HD3 H 1.694 0.030 1
928 82 82 LYS HE2 H 3.000 0.030 1
929 82 82 LYS HE3 H 3.000 0.030 1
930 82 82 LYS HG2 H 1.666 0.030 2
931 82 82 LYS HG3 H 1.444 0.030 2
932 82 82 LYS C C 179.681 0.300 1
933 82 82 LYS CA C 60.198 0.300 1
934 82 82 LYS CB C 32.268 0.300 1
935 82 82 LYS CD C 29.651 0.300 1
936 82 82 LYS CE C 42.341 0.300 1
937 82 82 LYS CG C 25.531 0.300 1
938 82 82 LYS N N 116.830 0.300 1
939 83 83 ASP H H 6.878 0.030 1
940 83 83 ASP HA H 4.931 0.030 1
941 83 83 ASP HB2 H 2.689 0.030 2
942 83 83 ASP HB3 H 2.475 0.030 2
943 83 83 ASP C C 178.318 0.300 1
944 83 83 ASP CA C 56.331 0.300 1
945 83 83 ASP CB C 40.257 0.300 1
946 83 83 ASP N N 119.518 0.300 1
947 84 84 VAL H H 7.657 0.030 1
948 84 84 VAL HA H 3.196 0.030 1
949 84 84 VAL HB H 1.115 0.030 1
950 84 84 VAL HG1 H 0.443 0.030 1
951 84 84 VAL HG2 H 0.687 0.030 1
952 84 84 VAL C C 177.726 0.300 1
953 84 84 VAL CA C 66.736 0.300 1
954 84 84 VAL CB C 31.020 0.300 1
955 84 84 VAL CG1 C 20.249 0.300 2
956 84 84 VAL CG2 C 23.849 0.300 2
957 84 84 VAL N N 120.801 0.300 1
958 85 85 MET H H 8.705 0.030 1
959 85 85 MET HA H 4.061 0.030 1
960 85 85 MET HB2 H 1.740 0.030 2
961 85 85 MET HB3 H 2.037 0.030 2
962 85 85 MET HE H 1.998 0.030 1
963 85 85 MET HG2 H 2.876 0.030 2
964 85 85 MET HG3 H 2.538 0.030 2
965 85 85 MET C C 178.788 0.300 1
966 85 85 MET CA C 57.146 0.300 1
967 85 85 MET CB C 30.695 0.300 1
968 85 85 MET CE C 18.460 0.300 1
969 85 85 MET CG C 33.397 0.300 1
970 85 85 MET N N 117.236 0.300 1
971 86 86 LEU H H 7.701 0.030 1
972 86 86 LEU HA H 4.150 0.030 1
973 86 86 LEU HB2 H 1.608 0.030 2
974 86 86 LEU HB3 H 2.068 0.030 2
975 86 86 LEU HD1 H 1.009 0.030 1
976 86 86 LEU HD2 H 0.975 0.030 1
977 86 86 LEU HG H 1.541 0.030 1
978 86 86 LEU C C 177.056 0.300 1
979 86 86 LEU CA C 58.131 0.300 1
980 86 86 LEU CB C 42.192 0.300 1
981 86 86 LEU CD1 C 23.233 0.300 2
982 86 86 LEU CD2 C 25.971 0.300 2
983 86 86 LEU CG C 27.268 0.300 1
984 86 86 LEU N N 123.127 0.300 1
985 87 87 LEU H H 7.826 0.030 1
986 87 87 LEU HA H 3.597 0.030 1
987 87 87 LEU HB2 H 1.435 0.030 2
988 87 87 LEU HB3 H 1.857 0.030 2
989 87 87 LEU HD1 H -0.154 0.030 1
990 87 87 LEU HD2 H 0.214 0.030 1
991 87 87 LEU HG H 1.457 0.030 1
992 87 87 LEU C C 180.937 0.300 1
993 87 87 LEU CA C 60.421 0.300 1
994 87 87 LEU CB C 42.026 0.300 1
995 87 87 LEU CD1 C 27.417 0.300 2
996 87 87 LEU CD2 C 24.463 0.300 2
997 87 87 LEU CG C 27.038 0.300 1
998 87 87 LEU N N 121.438 0.300 1
999 88 88 CYS H H 7.825 0.030 1
1000 88 88 CYS HA H 3.757 0.030 1
1001 88 88 CYS HB2 H 2.809 0.030 2
1002 88 88 CYS HB3 H 2.477 0.030 2
1003 88 88 CYS C C 175.546 0.300 1
1004 88 88 CYS CA C 64.526 0.300 1
1005 88 88 CYS CB C 26.519 0.300 1
1006 88 88 CYS N N 119.140 0.300 1
1007 89 89 HIS H H 9.059 0.030 1
1008 89 89 HIS HA H 4.054 0.030 1
1009 89 89 HIS HB2 H 3.182 0.030 1
1010 89 89 HIS HB3 H 3.182 0.030 1
1011 89 89 HIS HD2 H 6.961 0.030 1
1012 89 89 HIS HE1 H 7.871 0.030 1
1013 89 89 HIS C C 179.245 0.300 1
1014 89 89 HIS CA C 59.511 0.300 1
1015 89 89 HIS CB C 29.756 0.300 1
1016 89 89 HIS CD2 C 119.983 0.300 1
1017 89 89 HIS CE1 C 137.861 0.300 1
1018 89 89 HIS N N 121.642 0.300 1
1019 90 90 ASN H H 9.418 0.030 1
1020 90 90 ASN HA H 4.278 0.030 1
1021 90 90 ASN HB2 H 2.632 0.030 2
1022 90 90 ASN HB3 H 3.117 0.030 2
1023 90 90 ASN HD21 H 7.991 0.030 2
1024 90 90 ASN HD22 H 6.644 0.030 2
1025 90 90 ASN C C 178.015 0.300 1
1026 90 90 ASN CA C 55.460 0.300 1
1027 90 90 ASN CB C 37.392 0.300 1
1028 90 90 ASN N N 121.162 0.300 1
1029 90 90 ASN ND2 N 112.625 0.300 1
1030 91 91 ALA H H 7.496 0.030 1
1031 91 91 ALA HA H 4.461 0.030 1
1032 91 91 ALA HB H 1.772 0.030 1
1033 91 91 ALA C C 180.829 0.300 1
1034 91 91 ALA CA C 55.440 0.300 1
1035 91 91 ALA CB C 18.948 0.300 1
1036 91 91 ALA N N 123.030 0.300 1
1037 92 92 GLN H H 7.742 0.030 1
1038 92 92 GLN HA H 4.140 0.030 1
1039 92 92 GLN HB2 H 2.008 0.030 2
1040 92 92 GLN HB3 H 1.852 0.030 2
1041 92 92 GLN HE21 H 6.792 0.030 2
1042 92 92 GLN HE22 H 6.603 0.030 2
1043 92 92 GLN HG2 H 2.376 0.030 2
1044 92 92 GLN HG3 H 0.955 0.030 2
1045 92 92 GLN C C 175.239 0.300 1
1046 92 92 GLN CA C 56.926 0.300 1
1047 92 92 GLN CB C 27.630 0.300 1
1048 92 92 GLN CG C 32.452 0.300 1
1049 92 92 GLN N N 116.992 0.300 1
1050 92 92 GLN NE2 N 109.340 0.300 1
1051 93 93 THR H H 7.814 0.030 1
1052 93 93 THR HA H 4.201 0.030 1
1053 93 93 THR HB H 4.203 0.030 1
1054 93 93 THR HG2 H 1.141 0.030 1
1055 93 93 THR C C 175.165 0.300 1
1056 93 93 THR CA C 64.813 0.300 1
1057 93 93 THR CB C 69.056 0.300 1
1058 93 93 THR CG2 C 20.860 0.300 1
1059 93 93 THR N N 115.536 0.300 1
1060 94 94 PHE H H 8.107 0.030 1
1061 94 94 PHE HA H 4.194 0.030 1
1062 94 94 PHE HB2 H 2.924 0.030 1
1063 94 94 PHE HB3 H 2.924 0.030 1
1064 94 94 PHE HD1 H 7.148 0.030 1
1065 94 94 PHE HD2 H 7.148 0.030 1
1066 94 94 PHE HE1 H 7.341 0.030 1
1067 94 94 PHE HE2 H 7.341 0.030 1
1068 94 94 PHE HZ H 7.391 0.030 1
1069 94 94 PHE C C 174.430 0.300 1
1070 94 94 PHE CA C 60.765 0.300 1
1071 94 94 PHE CB C 41.112 0.300 1
1072 94 94 PHE CD1 C 132.069 0.300 1
1073 94 94 PHE CD2 C 132.069 0.300 1
1074 94 94 PHE CE1 C 131.803 0.300 1
1075 94 94 PHE CE2 C 131.803 0.300 1
1076 94 94 PHE CZ C 129.870 0.300 1
1077 94 94 PHE N N 118.682 0.300 1
1078 95 95 ASN H H 7.475 0.030 1
1079 95 95 ASN HA H 4.717 0.030 1
1080 95 95 ASN HB2 H 2.886 0.030 1
1081 95 95 ASN HB3 H 2.886 0.030 1
1082 95 95 ASN HD21 H 8.835 0.030 2
1083 95 95 ASN HD22 H 7.871 0.030 2
1084 95 95 ASN C C 173.264 0.300 1
1085 95 95 ASN CA C 52.317 0.300 1
1086 95 95 ASN CB C 41.164 0.300 1
1087 95 95 ASN N N 113.434 0.300 1
1088 95 95 ASN ND2 N 117.857 0.300 1
1089 96 96 LEU H H 8.432 0.030 1
1090 96 96 LEU HA H 4.161 0.030 1
1091 96 96 LEU HB2 H 1.610 0.030 2
1092 96 96 LEU HB3 H 1.455 0.030 2
1093 96 96 LEU HD1 H 0.900 0.030 1
1094 96 96 LEU HD2 H 0.847 0.030 1
1095 96 96 LEU HG H 1.688 0.030 1
1096 96 96 LEU C C 178.136 0.300 1
1097 96 96 LEU CA C 54.724 0.300 1
1098 96 96 LEU CB C 42.901 0.300 1
1099 96 96 LEU CD1 C 24.951 0.300 2
1100 96 96 LEU CD2 C 23.180 0.300 2
1101 96 96 LEU CG C 26.932 0.300 1
1102 96 96 LEU N N 118.160 0.300 1
1103 97 97 GLU H H 8.634 0.030 1
1104 97 97 GLU HA H 1.906 0.030 1
1105 97 97 GLU HB2 H 1.591 0.030 1
1106 97 97 GLU HB3 H 1.591 0.030 1
1107 97 97 GLU HG2 H 1.952 0.030 1
1108 97 97 GLU HG3 H 1.952 0.030 1
1109 97 97 GLU C C 176.898 0.300 1
1110 97 97 GLU CA C 57.714 0.300 1
1111 97 97 GLU CB C 28.859 0.300 1
1112 97 97 GLU CG C 35.845 0.300 1
1113 97 97 GLU N N 125.066 0.300 1
1114 98 98 GLY H H 7.442 0.030 1
1115 98 98 GLY HA2 H 4.213 0.030 2
1116 98 98 GLY HA3 H 3.804 0.030 2
1117 98 98 GLY C C 174.496 0.300 1
1118 98 98 GLY CA C 45.198 0.300 1
1119 98 98 GLY N N 113.454 0.300 1
1120 99 99 SER H H 8.066 0.030 1
1121 99 99 SER HA H 4.494 0.030 1
1122 99 99 SER HB2 H 4.372 0.030 2
1123 99 99 SER HB3 H 4.063 0.030 2
1124 99 99 SER CA C 58.396 0.300 1
1125 99 99 SER CB C 65.153 0.300 1
1126 99 99 SER N N 116.403 0.300 1
1127 100 100 GLN H H 8.980 0.030 1
1128 100 100 GLN HA H 4.071 0.030 1
1129 100 100 GLN HB2 H 2.252 0.030 2
1130 100 100 GLN HB3 H 2.124 0.030 2
1131 100 100 GLN HE21 H 7.884 0.030 2
1132 100 100 GLN HE22 H 7.098 0.030 2
1133 100 100 GLN HG2 H 2.527 0.030 2
1134 100 100 GLN HG3 H 2.405 0.030 2
1135 100 100 GLN C C 177.805 0.300 1
1136 100 100 GLN CA C 59.488 0.300 1
1137 100 100 GLN CB C 29.939 0.300 1
1138 100 100 GLN CG C 34.175 0.300 1
1139 100 100 GLN N N 123.895 0.300 1
1140 100 100 GLN NE2 N 116.397 0.300 1
1141 101 101 ILE H H 8.449 0.030 1
1142 101 101 ILE HA H 3.985 0.030 1
1143 101 101 ILE HB H 1.543 0.030 1
1144 101 101 ILE HD1 H 0.923 0.030 1
1145 101 101 ILE HG12 H 1.819 0.030 2
1146 101 101 ILE HG13 H 1.144 0.030 2
1147 101 101 ILE HG2 H 1.058 0.030 1
1148 101 101 ILE C C 177.963 0.300 1
1149 101 101 ILE CA C 65.747 0.300 1
1150 101 101 ILE CB C 38.690 0.300 1
1151 101 101 ILE CD1 C 13.554 0.300 1
1152 101 101 ILE CG1 C 29.877 0.300 1
1153 101 101 ILE CG2 C 19.131 0.300 1
1154 101 101 ILE N N 116.506 0.300 1
1155 102 102 TYR H H 7.173 0.030 1
1156 102 102 TYR HA H 3.740 0.030 1
1157 102 102 TYR HB2 H 3.503 0.030 2
1158 102 102 TYR HB3 H 2.519 0.030 2
1159 102 102 TYR HD1 H 7.083 0.030 1
1160 102 102 TYR HD2 H 7.083 0.030 1
1161 102 102 TYR HE1 H 7.039 0.030 1
1162 102 102 TYR HE2 H 7.039 0.030 1
1163 102 102 TYR C C 179.367 0.300 1
1164 102 102 TYR CA C 62.054 0.300 1
1165 102 102 TYR CB C 40.375 0.300 1
1166 102 102 TYR CD1 C 133.924 0.300 1
1167 102 102 TYR CD2 C 133.924 0.300 1
1168 102 102 TYR CE1 C 118.930 0.300 1
1169 102 102 TYR CE2 C 118.930 0.300 1
1170 102 102 TYR N N 120.045 0.300 1
1171 103 103 GLU H H 8.790 0.030 1
1172 103 103 GLU HA H 4.157 0.030 1
1173 103 103 GLU HB2 H 2.292 0.030 2
1174 103 103 GLU HB3 H 2.200 0.030 2
1175 103 103 GLU HG2 H 2.484 0.030 1
1176 103 103 GLU HG3 H 2.484 0.030 1
1177 103 103 GLU C C 179.936 0.300 1
1178 103 103 GLU CA C 59.596 0.300 1
1179 103 103 GLU CB C 28.961 0.300 1
1180 103 103 GLU CG C 36.610 0.300 1
1181 103 103 GLU N N 119.878 0.300 1
1182 104 104 ASP H H 9.429 0.030 1
1183 104 104 ASP HA H 4.560 0.030 1
1184 104 104 ASP HB2 H 2.699 0.030 2
1185 104 104 ASP HB3 H 3.255 0.030 2
1186 104 104 ASP C C 178.838 0.300 1
1187 104 104 ASP CA C 57.596 0.300 1
1188 104 104 ASP CB C 40.257 0.300 1
1189 104 104 ASP N N 122.070 0.300 1
1190 105 105 SER H H 8.279 0.030 1
1191 105 105 SER HA H 3.786 0.030 1
1192 105 105 SER HB2 H 4.112 0.030 2
1193 105 105 SER HB3 H 3.659 0.030 2
1194 105 105 SER C C 175.113 0.300 1
1195 105 105 SER CA C 62.472 0.300 1
1196 105 105 SER CB C 63.011 0.300 1
1197 105 105 SER N N 116.195 0.300 1
1198 106 106 ILE H H 7.219 0.030 1
1199 106 106 ILE HA H 3.788 0.030 1
1200 106 106 ILE HB H 2.260 0.030 1
1201 106 106 ILE HD1 H 0.805 0.030 1
1202 106 106 ILE HG12 H 1.601 0.030 2
1203 106 106 ILE HG13 H 1.071 0.030 2
1204 106 106 ILE HG2 H 0.928 0.030 1
1205 106 106 ILE C C 179.674 0.300 1
1206 106 106 ILE CA C 63.785 0.300 1
1207 106 106 ILE CB C 37.286 0.300 1
1208 106 106 ILE CD1 C 12.403 0.300 1
1209 106 106 ILE CG1 C 28.276 0.300 1
1210 106 106 ILE CG2 C 17.015 0.300 1
1211 106 106 ILE N N 125.094 0.300 1
1212 107 107 VAL H H 7.603 0.030 1
1213 107 107 VAL HA H 3.697 0.030 1
1214 107 107 VAL HB H 2.243 0.030 1
1215 107 107 VAL HG1 H 0.832 0.030 1
1216 107 107 VAL HG2 H 1.188 0.030 1
1217 107 107 VAL C C 179.464 0.300 1
1218 107 107 VAL CA C 66.596 0.300 1
1219 107 107 VAL CB C 31.466 0.300 1
1220 107 107 VAL CG1 C 22.388 0.300 2
1221 107 107 VAL CG2 C 22.529 0.300 2
1222 107 107 VAL N N 121.789 0.300 1
1223 108 108 LEU H H 8.477 0.030 1
1224 108 108 LEU HA H 3.791 0.030 1
1225 108 108 LEU HB2 H 1.803 0.030 2
1226 108 108 LEU HB3 H 1.001 0.030 2
1227 108 108 LEU HD1 H 0.520 0.030 1
1228 108 108 LEU HD2 H 0.833 0.030 1
1229 108 108 LEU HG H 1.838 0.030 1
1230 108 108 LEU C C 178.537 0.300 1
1231 108 108 LEU CA C 58.309 0.300 1
1232 108 108 LEU CB C 41.174 0.300 1
1233 108 108 LEU CD1 C 26.071 0.300 2
1234 108 108 LEU CD2 C 22.391 0.300 2
1235 108 108 LEU CG C 26.032 0.300 1
1236 108 108 LEU N N 118.207 0.300 1
1237 109 109 GLN H H 7.742 0.030 1
1238 109 109 GLN HA H 3.748 0.030 1
1239 109 109 GLN HB2 H 2.187 0.030 2
1240 109 109 GLN HB3 H 2.493 0.030 2
1241 109 109 GLN HE21 H 7.013 0.030 1
1242 109 109 GLN HE22 H 7.013 0.030 1
1243 109 109 GLN HG2 H 2.574 0.030 2
1244 109 109 GLN HG3 H 2.369 0.030 2
1245 109 109 GLN C C 178.184 0.300 1
1246 109 109 GLN CA C 60.307 0.300 1
1247 109 109 GLN CB C 29.089 0.300 1
1248 109 109 GLN CG C 35.427 0.300 1
1249 109 109 GLN N N 118.146 0.300 1
1250 109 109 GLN NE2 N 110.817 0.300 1
1251 110 110 SER H H 7.430 0.030 1
1252 110 110 SER HA H 4.271 0.030 1
1253 110 110 SER HB2 H 4.087 0.030 1
1254 110 110 SER HB3 H 4.087 0.030 1
1255 110 110 SER C C 177.166 0.300 1
1256 110 110 SER CA C 61.619 0.300 1
1257 110 110 SER CB C 62.949 0.300 1
1258 110 110 SER N N 115.260 0.300 1
1259 111 111 VAL H H 8.555 0.030 1
1260 111 111 VAL HA H 3.499 0.030 1
1261 111 111 VAL HB H 1.902 0.030 1
1262 111 111 VAL HG1 H 0.714 0.030 1
1263 111 111 VAL HG2 H 0.190 0.030 1
1264 111 111 VAL C C 178.558 0.300 1
1265 111 111 VAL CA C 66.165 0.300 1
1266 111 111 VAL CB C 31.445 0.300 1
1267 111 111 VAL CG1 C 21.511 0.300 2
1268 111 111 VAL CG2 C 21.285 0.300 2
1269 111 111 VAL N N 125.425 0.300 1
1270 112 112 PHE H H 8.492 0.030 1
1271 112 112 PHE HA H 3.617 0.030 1
1272 112 112 PHE HB2 H 3.231 0.030 2
1273 112 112 PHE HB3 H 2.900 0.030 2
1274 112 112 PHE HD1 H 6.983 0.030 1
1275 112 112 PHE HD2 H 6.983 0.030 1
1276 112 112 PHE HE1 H 7.264 0.030 1
1277 112 112 PHE HE2 H 7.264 0.030 1
1278 112 112 PHE HZ H 6.922 0.030 1
1279 112 112 PHE C C 175.884 0.300 1
1280 112 112 PHE CA C 62.596 0.300 1
1281 112 112 PHE CB C 38.528 0.300 1
1282 112 112 PHE CD1 C 131.921 0.300 1
1283 112 112 PHE CD2 C 131.921 0.300 1
1284 112 112 PHE CE1 C 131.336 0.300 1
1285 112 112 PHE CE2 C 131.336 0.300 1
1286 112 112 PHE CZ C 127.184 0.300 1
1287 112 112 PHE N N 119.652 0.300 1
1288 113 113 LYS H H 7.958 0.030 1
1289 113 113 LYS HA H 3.730 0.030 1
1290 113 113 LYS HB2 H 1.994 0.030 2
1291 113 113 LYS HB3 H 1.926 0.030 2
1292 113 113 LYS HD2 H 1.719 0.030 1
1293 113 113 LYS HD3 H 1.719 0.030 1
1294 113 113 LYS HE2 H 2.972 0.030 1
1295 113 113 LYS HE3 H 2.972 0.030 1
1296 113 113 LYS HG2 H 1.737 0.030 2
1297 113 113 LYS HG3 H 1.514 0.030 2
1298 113 113 LYS C C 179.228 0.300 1
1299 113 113 LYS CA C 60.077 0.300 1
1300 113 113 LYS CB C 32.146 0.300 1
1301 113 113 LYS CD C 29.289 0.300 1
1302 113 113 LYS CE C 42.130 0.300 1
1303 113 113 LYS CG C 25.582 0.300 1
1304 113 113 LYS N N 118.242 0.300 1
1305 114 114 SER H H 8.120 0.030 1
1306 114 114 SER HA H 4.196 0.030 1
1307 114 114 SER HB2 H 3.917 0.030 1
1308 114 114 SER HB3 H 3.917 0.030 1
1309 114 114 SER C C 176.577 0.300 1
1310 114 114 SER CA C 61.269 0.300 1
1311 114 114 SER CB C 62.836 0.300 1
1312 114 114 SER N N 113.962 0.300 1
1313 115 115 ALA H H 8.150 0.030 1
1314 115 115 ALA HA H 4.152 0.030 1
1315 115 115 ALA HB H 1.353 0.030 1
1316 115 115 ALA C C 179.401 0.300 1
1317 115 115 ALA CA C 54.164 0.300 1
1318 115 115 ALA CB C 18.460 0.300 1
1319 115 115 ALA N N 124.718 0.300 1
1320 116 116 ARG H H 8.038 0.030 1
1321 116 116 ARG HA H 3.796 0.030 1
1322 116 116 ARG HB2 H 1.361 0.030 2
1323 116 116 ARG HB3 H 1.601 0.030 2
1324 116 116 ARG HD2 H 3.049 0.030 1
1325 116 116 ARG HD3 H 3.049 0.030 1
1326 116 116 ARG HG2 H 1.490 0.030 1
1327 116 116 ARG HG3 H 1.490 0.030 1
1328 116 116 ARG C C 177.076 0.300 1
1329 116 116 ARG CA C 57.984 0.300 1
1330 116 116 ARG CB C 29.368 0.300 1
1331 116 116 ARG CD C 43.554 0.300 1
1332 116 116 ARG CG C 27.241 0.300 1
1333 116 116 ARG N N 117.089 0.300 1
1334 117 117 GLN H H 7.640 0.030 1
1335 117 117 GLN HA H 4.249 0.030 1
1336 117 117 GLN HB2 H 2.172 0.030 2
1337 117 117 GLN HB3 H 2.092 0.030 2
1338 117 117 GLN HG2 H 2.467 0.030 2
1339 117 117 GLN HG3 H 2.414 0.030 2
1340 117 117 GLN C C 176.253 0.300 1
1341 117 117 GLN CA C 56.628 0.300 1
1342 117 117 GLN CB C 29.002 0.300 1
1343 117 117 GLN CG C 33.896 0.300 1
1344 117 117 GLN N N 117.685 0.300 1
1345 118 118 SER H H 7.889 0.030 1
1346 118 118 SER HA H 4.456 0.030 1
1347 118 118 SER HB2 H 3.911 0.030 1
1348 118 118 SER HB3 H 3.911 0.030 1
1349 118 118 SER C C 174.642 0.300 1
1350 118 118 SER CA C 58.957 0.300 1
1351 118 118 SER CB C 64.029 0.300 1
1352 118 118 SER N N 114.899 0.300 1
1353 119 119 GLY H H 8.038 0.030 1
1354 119 119 GLY HA2 H 4.166 0.030 2
1355 119 119 GLY HA3 H 4.072 0.030 2
1356 119 119 GLY C C 171.899 0.300 1
1357 119 119 GLY CA C 44.904 0.300 1
1358 119 119 GLY N N 110.452 0.300 1
1359 120 120 PRO HA H 4.465 0.030 1
1360 120 120 PRO HB2 H 2.284 0.030 2
1361 120 120 PRO HB3 H 1.980 0.030 2
1362 120 120 PRO HD2 H 3.630 0.030 1
1363 120 120 PRO HD3 H 3.630 0.030 1
1364 120 120 PRO HG2 H 2.004 0.030 1
1365 120 120 PRO HG3 H 2.004 0.030 1
1366 120 120 PRO C C 175.904 0.300 1
1367 120 120 PRO CA C 63.194 0.300 1
1368 120 120 PRO CB C 32.185 0.300 1
1369 120 120 PRO CD C 49.913 0.300 1
1370 120 120 PRO CG C 27.292 0.300 1
stop_
save_