data_15098
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
SOLUTION STRUCTURES OF THE BRK DOMAINS OF THE HUMAN CHROMO HELICASE DOMAIN 7 AND 8, REVEALS STRUCTURAL SIMILARITY WITH GYF DOMAIN SUGGESTING A ROLE IN PROTEIN INTERACTION
;
_BMRB_accession_number 15098
_BMRB_flat_file_name bmr15098.str
_Entry_type original
_Submission_date 2007-01-09
_Accession_date 2007-01-09
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'BRK DOMAIN OF THE HUMAN CHROMO HELICASE DOMAIN 8'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 AB E. . .
2 'De Jong' R. N. .
3 Diercks T. . .
4 Xiaoyun J. . .
5 Daniels M. . .
6 Kaptein R. . .
7 Folkers G. E. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 312
"13C chemical shifts" 241
"15N chemical shifts" 53
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-08-03 original author .
stop_
_Original_release_date 2012-08-03
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution Structures of the Brk Domains of the Human Chromo Helicase Domain 7 and 8, Reveals Structural Similarity with Gyf Domain Suggesting a Role in Protein Interaction'
_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 AB E. . .
2 'De Jong' R. N. .
3 Diercks T. . .
4 Xiaoyun J. . .
5 Daniels M. . .
6 Kaptein R. . .
7 Folkers G. E. .
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 'CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 8'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 8' $CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic ?
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 95
_Mol_residue_sequence
;
MGSSHHHHHHSSHMLVPRGS
LKKLVELEVECMEEPNHLDV
DLETRIPVINKVDGTLLVGE
DAPRRAELEMWLQGHPEFAV
DPRFLAYMEDRRKQK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1991 MET 2 1992 GLY 3 1993 SER 4 1994 SER 5 1995 HIS
6 1996 HIS 7 1997 HIS 8 1998 HIS 9 1999 HIS 10 2000 HIS
11 2001 SER 12 2002 SER 13 2003 HIS 14 2004 MET 15 2005 LEU
16 2006 VAL 17 2007 PRO 18 2008 ARG 19 2009 GLY 20 2010 SER
21 2011 LEU 22 2012 LYS 23 2013 LYS 24 2014 LEU 25 2015 VAL
26 2016 GLU 27 2017 LEU 28 2018 GLU 29 2019 VAL 30 2020 GLU
31 2021 CYS 32 2022 MET 33 2023 GLU 34 2024 GLU 35 2025 PRO
36 2026 ASN 37 2027 HIS 38 2028 LEU 39 2029 ASP 40 2030 VAL
41 2031 ASP 42 2032 LEU 43 2033 GLU 44 2034 THR 45 2035 ARG
46 2036 ILE 47 2037 PRO 48 2038 VAL 49 2039 ILE 50 2040 ASN
51 2041 LYS 52 2042 VAL 53 2043 ASP 54 2044 GLY 55 2045 THR
56 2046 LEU 57 2047 LEU 58 2048 VAL 59 2049 GLY 60 2050 GLU
61 2051 ASP 62 2052 ALA 63 2053 PRO 64 2054 ARG 65 2055 ARG
66 2056 ALA 67 2057 GLU 68 2058 LEU 69 2059 GLU 70 2060 MET
71 2061 TRP 72 2062 LEU 73 2063 GLN 74 2064 GLY 75 2065 HIS
76 2066 PRO 77 2067 GLU 78 2068 PHE 79 2069 ALA 80 2070 VAL
81 2071 ASP 82 2072 PRO 83 2073 ARG 84 2074 PHE 85 2075 LEU
86 2076 ALA 87 2077 TYR 88 2078 MET 89 2079 GLU 90 2080 ASP
91 2081 ARG 92 2082 ARG 93 2083 LYS 94 2084 GLN 95 2085 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-05-12
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 2CKA "Solution Structures Of The Brk Domains Of The Human Chromo Helicase Domain 7 And 8, Reveals Structural Similarity With Gyf Doma" 100.00 95 100.00 100.00 5.29e-62
PDB 2DL6 "Solution Structure Of The First Brk Domain From Human Chromodomain-Helicase-Dna-Binding Protein 8" 65.26 83 100.00 100.00 1.92e-37
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8 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
_Variant
_Vector_name
_Details
$CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8 'recombinant technology' . ESCHERICHIA COLI BL21(DE3) ROSETTA PHISLIC 'SELF MADE CDNA LIBRARY OF MULTIPLE HUMAN CARCINOMA CELL LINES'
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$CHROMODOMAIN-HELICASE-DNA-BINDING_PROTEIN_8 0.8 mM '[U-13C; U-15N]'
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
'sodium azide' 0.02 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CNS_FOR_WATER_REFINEMENT
_Saveframe_category software
_Name 'CNS FOR WATER REFINEMENT'
_Version REFINEMENT
loop_
_Vendor
_Address
_Electronic_address
'BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,SIMONSON,WARREN' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
'T Goddard' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DMX
_Field_strength 700
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_HNCO_1
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCO
_Sample_label $sample_1
save_
save_HNCACO_2
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACO
_Sample_label $sample_1
save_
save_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCACB
_Sample_label $sample_1
save_
save_CBCACONH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name CBCACONH
_Sample_label $sample_1
save_
save_HBHACONH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name HBHACONH
_Sample_label $sample_1
save_
save_HNCAHA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name HNCAHA
_Sample_label $sample_1
save_
save_CCCONH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name CCCONH
_Sample_label $sample_1
save_
save_CCH-COSY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name CCH-COSY
_Sample_label $sample_1
save_
save_HCCH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name HCCH-TOCSY
_Sample_label $sample_1
save_
save_HNH-NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name HNH-NOESY
_Sample_label $sample_1
save_
save_HCH-NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name HCH-NOESY
_Sample_label $sample_1
save_
save_CNH-NOESY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name CNH-NOESY
_Sample_label $sample_1
save_
save_HH-NOESY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name HH-NOESY
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 150 . mM
pH 7.0 . pH
pressure 1.0 . atm
temperature 298.0 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
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 0.00 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 . 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_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$SPARKY
stop_
loop_
_Experiment_label
HCH-NOESY
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 8'
_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 2025 35 PRO HA H 4.344 0.020 1
2 2025 35 PRO HB2 H 1.779 0.020 2
3 2025 35 PRO HB3 H 2.170 0.020 2
4 2025 35 PRO HG2 H 1.913 0.020 1
5 2025 35 PRO HG3 H 1.913 0.020 1
6 2025 35 PRO HD2 H 3.708 0.020 2
7 2025 35 PRO HD3 H 3.604 0.020 2
8 2025 35 PRO CA C 63.488 0.400 1
9 2025 35 PRO CB C 32.013 0.400 1
10 2025 35 PRO CG C 27.39 0.400 1
11 2025 35 PRO CD C 50.656 0.400 1
12 2026 36 ASN H H 8.438 0.020 1
13 2026 36 ASN HA H 4.607 0.020 1
14 2026 36 ASN HB2 H 2.732 0.020 1
15 2026 36 ASN HB3 H 2.732 0.020 1
16 2026 36 ASN HD21 H 6.799 0.020 2
17 2026 36 ASN HD22 H 7.598 0.020 2
18 2026 36 ASN CA C 53.218 0.400 1
19 2026 36 ASN CB C 38.991 0.400 1
20 2026 36 ASN N N 118.013 0.400 1
21 2026 36 ASN ND2 N 112.772 0.400 1
22 2028 38 LEU H H 8.116 0.020 1
23 2028 38 LEU HA H 4.219 0.020 1
24 2028 38 LEU HB2 H 1.534 0.020 1
25 2028 38 LEU HB3 H 1.534 0.020 1
26 2028 38 LEU HG H 1.401 0.020 1
27 2028 38 LEU HD1 H 0.793 0.020 2
28 2028 38 LEU HD2 H 0.841 0.020 2
29 2028 38 LEU CA C 55.148 0.400 1
30 2028 38 LEU CB C 42.275 0.400 1
31 2028 38 LEU CG C 27.014 0.400 1
32 2028 38 LEU CD1 C 23.718 0.400 1
33 2028 38 LEU CD2 C 25.218 0.400 1
34 2028 38 LEU N N 122.842 0.400 1
35 2029 39 ASP H H 8.212 0.020 1
36 2029 39 ASP HA H 4.581 0.020 1
37 2029 39 ASP HB2 H 2.550 0.020 1
38 2029 39 ASP HB3 H 2.550 0.020 1
39 2029 39 ASP CA C 54.355 0.400 1
40 2029 39 ASP CB C 40.996 0.400 1
41 2029 39 ASP N N 121.564 0.400 1
42 2030 40 VAL H H 8.139 0.020 1
43 2030 40 VAL HA H 4.276 0.020 1
44 2030 40 VAL HB H 2.201 0.020 1
45 2030 40 VAL HG1 H 0.896 0.020 2
46 2030 40 VAL HG2 H 0.957 0.020 2
47 2030 40 VAL CA C 60.992 0.400 1
48 2030 40 VAL CB C 33.654 0.400 1
49 2030 40 VAL CG1 C 19.922 0.400 1
50 2030 40 VAL CG2 C 21.818 0.400 1
51 2030 40 VAL N N 117.729 0.400 1
52 2031 41 ASP HA H 4.508 0.020 1
53 2031 41 ASP C C 177.456 0.400 1
54 2031 41 ASP CA C 54.662 0.400 1
55 2031 41 ASP CB C 41.832 0.400 1
56 2032 42 LEU H H 8.337 0.020 1
57 2032 42 LEU HA H 3.915 0.020 1
58 2032 42 LEU HB2 H 1.830 0.020 2
59 2032 42 LEU HB3 H 1.500 0.020 2
60 2032 42 LEU HG H 1.763 0.020 1
61 2032 42 LEU HD1 H 0.933 0.020 2
62 2032 42 LEU HD2 H 0.829 0.020 2
63 2032 42 LEU C C 177.105 0.400 1
64 2032 42 LEU CA C 57.783 0.400 1
65 2032 42 LEU CB C 42.168 0.400 1
66 2032 42 LEU CG C 27.257 0.400 1
67 2032 42 LEU CD1 C 25.262 0.400 1
68 2032 42 LEU CD2 C 22.912 0.400 1
69 2032 42 LEU N N 122.726 0.400 1
70 2033 43 GLU H H 8.300 0.020 1
71 2033 43 GLU HA H 4.263 0.020 1
72 2033 43 GLU HB2 H 2.183 0.020 1
73 2033 43 GLU HB3 H 2.183 0.020 1
74 2033 43 GLU HG2 H 2.306 0.020 2
75 2033 43 GLU HG3 H 2.185 0.020 2
76 2033 43 GLU C C 176.485 0.400 1
77 2033 43 GLU CA C 56.009 0.400 1
78 2033 43 GLU CB C 29.733 0.400 1
79 2033 43 GLU CG C 36.038 0.400 1
80 2033 43 GLU N N 114.976 0.400 1
81 2034 44 THR H H 7.598 0.020 1
82 2034 44 THR HA H 3.837 0.020 1
83 2034 44 THR HB H 3.951 0.020 1
84 2034 44 THR HG2 H 1.230 0.020 1
85 2034 44 THR C C 173.357 0.400 1
86 2034 44 THR CA C 64.361 0.400 1
87 2034 44 THR CB C 69.937 0.400 1
88 2034 44 THR CG2 C 21.793 0.400 1
89 2034 44 THR N N 117.241 0.400 1
90 2035 45 ARG H H 8.444 0.020 1
91 2035 45 ARG HA H 4.309 0.020 1
92 2035 45 ARG HB2 H 1.284 0.020 1
93 2035 45 ARG HB3 H 1.284 0.020 1
94 2035 45 ARG HG2 H 1.459 0.020 2
95 2035 45 ARG HG3 H 1.338 0.020 2
96 2035 45 ARG HD2 H 2.584 0.020 1
97 2035 45 ARG HD3 H 2.584 0.020 1
98 2035 45 ARG C C 175.068 0.400 1
99 2035 45 ARG CA C 53.809 0.400 1
100 2035 45 ARG CB C 29.473 0.400 1
101 2035 45 ARG CG C 26.403 0.400 1
102 2035 45 ARG CD C 42.395 0.400 1
103 2035 45 ARG N N 125.955 0.400 1
104 2036 46 ILE H H 8.325 0.020 1
105 2036 46 ILE HA H 3.827 0.020 1
106 2036 46 ILE HB H 1.745 0.020 1
107 2036 46 ILE HG12 H 1.462 0.020 2
108 2036 46 ILE HG13 H 0.993 0.020 2
109 2036 46 ILE HG2 H 0.540 0.020 1
110 2036 46 ILE HD1 H 0.547 0.020 1
111 2036 46 ILE C C 176.358 0.400 1
112 2036 46 ILE CA C 54.575 0.400 1
113 2036 46 ILE CB C 37.009 0.400 1
114 2036 46 ILE CG1 C 25.335 0.400 1
115 2036 46 ILE CG2 C 16.977 0.400 1
116 2036 46 ILE CD1 C 10.453 0.400 1
117 2036 46 ILE N N 127.367 0.400 1
118 2037 47 PRO HA H 4.555 0.020 1
119 2037 47 PRO HB2 H 1.806 0.020 2
120 2037 47 PRO HB3 H 2.086 0.020 2
121 2037 47 PRO HG2 H 1.856 0.020 2
122 2037 47 PRO HG3 H 1.727 0.020 2
123 2037 47 PRO HD2 H 3.283 0.020 2
124 2037 47 PRO HD3 H 2.285 0.020 2
125 2037 47 PRO C C 176.353 0.400 1
126 2037 47 PRO CA C 62.442 0.400 1
127 2037 47 PRO CB C 32.388 0.400 1
128 2037 47 PRO CG C 28.36 0.400 1
129 2037 47 PRO CD C 49.714 0.400 1
130 2038 48 VAL H H 7.876 0.020 1
131 2038 48 VAL HA H 5.182 0.020 1
132 2038 48 VAL HB H 2.109 0.020 1
133 2038 48 VAL HG1 H 0.561 0.020 2
134 2038 48 VAL HG2 H 0.592 0.020 2
135 2038 48 VAL C C 173.554 0.400 1
136 2038 48 VAL CA C 58.323 0.400 1
137 2038 48 VAL CB C 36.324 0.400 1
138 2038 48 VAL CG1 C 19.44 0.400 1
139 2038 48 VAL CG2 C 21.124 0.400 1
140 2038 48 VAL N N 113.225 0.400 1
141 2039 49 ILE H H 9.584 0.020 1
142 2039 49 ILE HA H 5.428 0.020 1
143 2039 49 ILE HB H 1.536 0.020 1
144 2039 49 ILE HG12 H 1.389 0.020 2
145 2039 49 ILE HG13 H 0.917 0.020 2
146 2039 49 ILE HG2 H 0.851 0.020 1
147 2039 49 ILE HD1 H 0.850 0.020 1
148 2039 49 ILE C C 173.663 0.400 1
149 2039 49 ILE CA C 57.643 0.400 1
150 2039 49 ILE CB C 43.553 0.400 1
151 2039 49 ILE CG1 C 28.584 0.400 1
152 2039 49 ILE CG2 C 16.556 0.400 1
153 2039 49 ILE CD1 C 14.505 0.400 1
154 2039 49 ILE N N 119.695 0.400 1
155 2040 50 ASN H H 9.008 0.020 1
156 2040 50 ASN HA H 3.750 0.020 1
157 2040 50 ASN HB2 H 2.958 0.020 2
158 2040 50 ASN HB3 H 1.663 0.020 2
159 2040 50 ASN HD21 H 6.119 0.020 2
160 2040 50 ASN HD22 H 7.019 0.020 2
161 2040 50 ASN C C 176.374 0.400 1
162 2040 50 ASN CA C 52.927 0.400 1
163 2040 50 ASN CB C 39.458 0.400 1
164 2040 50 ASN N N 126.596 0.400 1
165 2040 50 ASN ND2 N 114.225 0.400 1
166 2041 51 LYS H H 9.001 0.020 1
167 2041 51 LYS HA H 3.887 0.020 1
168 2041 51 LYS HB2 H 1.885 0.020 2
169 2041 51 LYS HB3 H 1.812 0.020 2
170 2041 51 LYS HG2 H 1.545 0.020 2
171 2041 51 LYS HG3 H 1.386 0.020 2
172 2041 51 LYS HD2 H 1.659 0.020 1
173 2041 51 LYS HD3 H 1.659 0.020 1
174 2041 51 LYS HE2 H 2.845 0.020 1
175 2041 51 LYS HE3 H 2.845 0.020 1
176 2041 51 LYS C C 176.704 0.400 1
177 2041 51 LYS CA C 58.593 0.400 1
178 2041 51 LYS CB C 32.5 0.400 1
179 2041 51 LYS CG C 25.346 0.400 1
180 2041 51 LYS CD C 29.304 0.400 1
181 2041 51 LYS CE C 42.09 0.400 1
182 2041 51 LYS N N 127.161 0.400 1
183 2042 52 VAL H H 8.590 0.020 1
184 2042 52 VAL HA H 3.830 0.020 1
185 2042 52 VAL HB H 2.127 0.020 1
186 2042 52 VAL HG1 H 0.884 0.020 2
187 2042 52 VAL HG2 H 0.836 0.020 2
188 2042 52 VAL C C 177.375 0.400 1
189 2042 52 VAL CA C 64.757 0.400 1
190 2042 52 VAL CB C 31.878 0.400 1
191 2042 52 VAL CG1 C 21.684 0.400 1
192 2042 52 VAL CG2 C 20.979 0.400 1
193 2042 52 VAL N N 119.187 0.400 1
194 2043 53 ASP H H 7.564 0.020 1
195 2043 53 ASP HA H 4.716 0.020 1
196 2043 53 ASP HB2 H 3.003 0.020 2
197 2043 53 ASP HB3 H 2.282 0.020 2
198 2043 53 ASP C C 177.79 0.400 1
199 2043 53 ASP CA C 52.768 0.400 1
200 2043 53 ASP CB C 42.292 0.400 1
201 2043 53 ASP N N 116.022 0.400 1
202 2044 54 GLY H H 8.068 0.020 1
203 2044 54 GLY HA2 H 4.078 0.020 2
204 2044 54 GLY HA3 H 3.688 0.020 2
205 2044 54 GLY C C 174.225 0.400 1
206 2044 54 GLY CA C 46.097 0.400 1
207 2044 54 GLY N N 109.334 0.400 1
208 2045 55 THR H H 8.223 0.020 1
209 2045 55 THR HA H 3.921 0.020 1
210 2045 55 THR HB H 4.103 0.020 1
211 2045 55 THR HG2 H 1.243 0.020 1
212 2045 55 THR C C 172.283 0.400 1
213 2045 55 THR CA C 64.896 0.400 1
214 2045 55 THR CB C 69.836 0.400 1
215 2045 55 THR CG2 C 21.462 0.400 1
216 2045 55 THR N N 116.469 0.400 1
217 2046 56 LEU H H 8.323 0.020 1
218 2046 56 LEU HA H 5.216 0.020 1
219 2046 56 LEU HB2 H 1.686 0.020 2
220 2046 56 LEU HB3 H 1.417 0.020 2
221 2046 56 LEU HG H 1.405 0.020 1
222 2046 56 LEU HD1 H 0.800 0.020 2
223 2046 56 LEU HD2 H 0.813 0.020 2
224 2046 56 LEU C C 175.065 0.400 1
225 2046 56 LEU CA C 53.988 0.400 1
226 2046 56 LEU CB C 44.926 0.400 1
227 2046 56 LEU CG C 27.613 0.400 1
228 2046 56 LEU CD1 C 25.833 0.400 1
229 2046 56 LEU CD2 C 24.012 0.400 1
230 2046 56 LEU N N 127.204 0.400 1
231 2047 57 LEU H H 9.020 0.020 1
232 2047 57 LEU HA H 4.812 0.020 1
233 2047 57 LEU HB2 H 1.602 0.020 2
234 2047 57 LEU HB3 H 0.842 0.020 2
235 2047 57 LEU HG H 1.570 0.020 1
236 2047 57 LEU HD1 H 0.607 0.020 2
237 2047 57 LEU HD2 H 0.799 0.020 2
238 2047 57 LEU C C 174.558 0.400 1
239 2047 57 LEU CA C 53.998 0.400 1
240 2047 57 LEU CB C 41.944 0.400 1
241 2047 57 LEU CG C 26.68 0.400 1
242 2047 57 LEU CD1 C 25.54 0.400 1
243 2047 57 LEU CD2 C 23.149 0.400 1
244 2047 57 LEU N N 126.889 0.400 1
245 2048 58 VAL H H 8.109 0.020 1
246 2048 58 VAL HA H 4.373 0.020 1
247 2048 58 VAL HB H 2.021 0.020 1
248 2048 58 VAL HG1 H 0.729 0.020 2
249 2048 58 VAL HG2 H 0.793 0.020 2
250 2048 58 VAL C C 176.31 0.400 1
251 2048 58 VAL CA C 58.84 0.400 1
252 2048 58 VAL CB C 35.951 0.400 1
253 2048 58 VAL CG1 C 18.719 0.400 1
254 2048 58 VAL CG2 C 21.681 0.400 1
255 2048 58 VAL N N 113.102 0.400 1
256 2049 59 GLY H H 8.499 0.020 1
257 2049 59 GLY HA2 H 3.774 0.020 2
258 2049 59 GLY HA3 H 3.568 0.020 2
259 2049 59 GLY C C 175.107 0.400 1
260 2049 59 GLY CA C 46.118 0.400 1
261 2049 59 GLY N N 110.182 0.400 1
262 2050 60 GLU H H 8.614 0.020 1
263 2050 60 GLU HA H 3.739 0.020 1
264 2050 60 GLU HB2 H 2.032 0.020 2
265 2050 60 GLU HB3 H 1.885 0.020 2
266 2050 60 GLU HG2 H 2.265 0.020 2
267 2050 60 GLU HG3 H 2.222 0.020 2
268 2050 60 GLU C C 175.823 0.400 1
269 2050 60 GLU CA C 58.329 0.400 1
270 2050 60 GLU CB C 29.21 0.400 1
271 2050 60 GLU CG C 36.769 0.400 1
272 2050 60 GLU N N 121.760 0.400 1
273 2051 61 ASP H H 7.440 0.020 1
274 2051 61 ASP HA H 4.425 0.020 1
275 2051 61 ASP HB2 H 2.691 0.020 2
276 2051 61 ASP HB3 H 2.601 0.020 2
277 2051 61 ASP C C 174.491 0.400 1
278 2051 61 ASP CA C 54.791 0.400 1
279 2051 61 ASP CB C 41.963 0.400 1
280 2051 61 ASP N N 115.252 0.400 1
281 2052 62 ALA H H 7.369 0.020 1
282 2052 62 ALA HA H 3.665 0.020 1
283 2052 62 ALA HB H 0.935 0.020 1
284 2052 62 ALA C C 173.457 0.400 1
285 2052 62 ALA CA C 49.087 0.400 1
286 2052 62 ALA CB C 17.927 0.400 1
287 2052 62 ALA N N 124.284 0.400 1
288 2053 63 PRO HA H 3.869 0.020 1
289 2053 63 PRO HB2 H 1.264 0.020 2
290 2053 63 PRO HB3 H 0.913 0.020 2
291 2053 63 PRO HG2 H 0.524 0.020 2
292 2053 63 PRO HG3 H 1.356 0.020 2
293 2053 63 PRO HD2 H 3.214 0.020 2
294 2053 63 PRO HD3 H 1.392 0.020 2
295 2053 63 PRO C C 176.299 0.400 1
296 2053 63 PRO CA C 61.473 0.400 1
297 2053 63 PRO CB C 30.608 0.400 1
298 2053 63 PRO CG C 27.217 0.400 1
299 2053 63 PRO CD C 48.476 0.400 1
300 2054 64 ARG H H 8.470 0.020 1
301 2054 64 ARG HA H 4.310 0.020 1
302 2054 64 ARG HB2 H 1.970 0.020 2
303 2054 64 ARG HB3 H 1.446 0.020 2
304 2054 64 ARG HG2 H 1.552 0.020 2
305 2054 64 ARG HG3 H 1.451 0.020 2
306 2054 64 ARG HD2 H 3.156 0.020 1
307 2054 64 ARG HD3 H 3.156 0.020 1
308 2054 64 ARG C C 178.877 0.400 1
309 2054 64 ARG CA C 55.673 0.400 1
310 2054 64 ARG CB C 31.145 0.400 1
311 2054 64 ARG CG C 28.167 0.400 1
312 2054 64 ARG CD C 44.065 0.400 1
313 2054 64 ARG N N 118.133 0.400 1
314 2055 65 ARG H H 8.776 0.020 1
315 2055 65 ARG HA H 3.808 0.020 1
316 2055 65 ARG HB2 H 1.751 0.020 1
317 2055 65 ARG HB3 H 1.751 0.020 1
318 2055 65 ARG HG2 H 1.729 0.020 1
319 2055 65 ARG HG3 H 1.729 0.020 1
320 2055 65 ARG HD2 H 3.188 0.020 1
321 2055 65 ARG HD3 H 3.188 0.020 1
322 2055 65 ARG C C 178.964 0.400 1
323 2055 65 ARG CA C 59.667 0.400 1
324 2055 65 ARG CB C 28.99 0.400 1
325 2055 65 ARG CG C 27.65 0.400 1
326 2055 65 ARG CD C 42.541 0.400 1
327 2055 65 ARG N N 123.823 0.400 1
328 2056 66 ALA H H 8.621 0.020 1
329 2056 66 ALA HA H 4.119 0.020 1
330 2056 66 ALA HB H 1.415 0.020 1
331 2056 66 ALA C C 177.783 0.400 1
332 2056 66 ALA CA C 54.681 0.400 1
333 2056 66 ALA CB C 19.593 0.400 1
334 2056 66 ALA N N 118.019 0.400 1
335 2057 67 GLU H H 7.364 0.020 1
336 2057 67 GLU HA H 4.781 0.020 1
337 2057 67 GLU HB2 H 2.236 0.020 2
338 2057 67 GLU HB3 H 2.104 0.020 2
339 2057 67 GLU HG2 H 2.461 0.020 2
340 2057 67 GLU HG3 H 2.114 0.020 2
341 2057 67 GLU C C 175.985 0.400 1
342 2057 67 GLU CA C 54.821 0.400 1
343 2057 67 GLU CB C 30.94 0.400 1
344 2057 67 GLU CG C 35.925 0.400 1
345 2057 67 GLU N N 113.138 0.400 1
346 2058 68 LEU H H 7.399 0.020 1
347 2058 68 LEU HA H 3.786 0.020 1
348 2058 68 LEU HB2 H 1.905 0.020 2
349 2058 68 LEU HB3 H 1.484 0.020 2
350 2058 68 LEU HD1 H 0.682 0.020 2
351 2058 68 LEU HD2 H 0.858 0.020 2
352 2058 68 LEU C C 176.721 0.400 1
353 2058 68 LEU CA C 59.389 0.400 1
354 2058 68 LEU CB C 43.668 0.400 1
355 2058 68 LEU CD1 C 22.963 0.400 1
356 2058 68 LEU CD2 C 26.387 0.400 1
357 2058 68 LEU N N 122.268 0.400 1
358 2059 69 GLU H H 8.960 0.020 1
359 2059 69 GLU HA H 3.955 0.020 1
360 2059 69 GLU HB2 H 2.073 0.020 2
361 2059 69 GLU HB3 H 2.010 0.020 2
362 2059 69 GLU HG2 H 2.377 0.020 2
363 2059 69 GLU HG3 H 2.304 0.020 2
364 2059 69 GLU C C 179.624 0.400 1
365 2059 69 GLU CA C 61.064 0.400 1
366 2059 69 GLU CB C 28.734 0.400 1
367 2059 69 GLU CG C 36.947 0.400 1
368 2059 69 GLU N N 117.059 0.400 1
369 2060 70 MET H H 8.208 0.020 1
370 2060 70 MET C C 178.934 0.400 1
371 2060 70 MET CA C 57.95 0.400 1
372 2060 70 MET CB C 31.945 0.400 1
373 2060 70 MET N N 118.935 0.400 1
374 2061 71 TRP H H 9.181 0.020 1
375 2061 71 TRP HA H 4.175 0.020 1
376 2061 71 TRP HB2 H 3.261 0.020 1
377 2061 71 TRP HB3 H 3.261 0.020 1
378 2061 71 TRP HD1 H 7.160 0.020 1
379 2061 71 TRP HE1 H 9.764 0.020 1
380 2061 71 TRP HE3 H 6.949 0.020 1
381 2061 71 TRP HZ2 H 6.342 0.020 1
382 2061 71 TRP HZ3 H 6.387 0.020 1
383 2061 71 TRP HH2 H 5.203 0.020 1
384 2061 71 TRP C C 181.425 0.400 1
385 2061 71 TRP CA C 63.258 0.400 1
386 2061 71 TRP CB C 29.906 0.400 1
387 2061 71 TRP CD1 C 126.965 0.400 1
388 2061 71 TRP CE3 C 118.921 0.400 1
389 2061 71 TRP CZ2 C 113.567 0.400 1
390 2061 71 TRP CH2 C 124.588 0.400 1
391 2061 71 TRP N N 124.645 0.400 1
392 2061 71 TRP NE1 N 129.893 0.400 1
393 2062 72 LEU H H 9.404 0.020 1
394 2062 72 LEU HA H 4.109 0.020 1
395 2062 72 LEU HB2 H 2.079 0.020 2
396 2062 72 LEU HB3 H 1.705 0.020 2
397 2062 72 LEU HG H 2.107 0.020 1
398 2062 72 LEU HD1 H 0.958 0.020 2
399 2062 72 LEU HD2 H 1.061 0.020 2
400 2062 72 LEU C C 180.275 0.400 1
401 2062 72 LEU CA C 58.564 0.400 1
402 2062 72 LEU CB C 41.076 0.400 1
403 2062 72 LEU CG C 27.436 0.400 1
404 2062 72 LEU CD1 C 26.496 0.400 1
405 2062 72 LEU CD2 C 21.873 0.400 1
406 2062 72 LEU N N 121.144 0.400 1
407 2063 73 GLN H H 7.746 0.020 1
408 2063 73 GLN HA H 3.998 0.020 1
409 2063 73 GLN HB2 H 2.193 0.020 2
410 2063 73 GLN HB3 H 2.139 0.020 2
411 2063 73 GLN HG2 H 2.526 0.020 2
412 2063 73 GLN HG3 H 2.388 0.020 2
413 2063 73 GLN HE21 H 6.762 0.020 2
414 2063 73 GLN HE22 H 7.426 0.020 2
415 2063 73 GLN C C 177.739 0.400 1
416 2063 73 GLN CA C 58.935 0.400 1
417 2063 73 GLN CB C 28.214 0.400 1
418 2063 73 GLN CG C 34.079 0.400 1
419 2063 73 GLN N N 119.043 0.400 1
420 2063 73 GLN NE2 N 111.435 0.400 1
421 2064 74 GLY H H 7.373 0.020 1
422 2064 74 GLY HA2 H 3.461 0.020 2
423 2064 74 GLY HA3 H 3.985 0.020 2
424 2064 74 GLY C C 172.675 0.400 1
425 2064 74 GLY CA C 44.62 0.400 1
426 2064 74 GLY N N 102.844 0.400 1
427 2065 75 HIS H H 7.225 0.020 1
428 2065 75 HIS HA H 4.787 0.020 1
429 2065 75 HIS HB2 H 2.632 0.020 2
430 2065 75 HIS HB3 H 2.034 0.020 2
431 2065 75 HIS C C 171.669 0.400 1
432 2065 75 HIS CA C 54.15 0.400 1
433 2065 75 HIS CB C 27.923 0.400 1
434 2065 75 HIS N N 117.883 0.400 1
435 2066 76 PRO HA H 4.690 0.020 1
436 2066 76 PRO HB2 H 2.327 0.020 1
437 2066 76 PRO HB3 H 2.327 0.020 1
438 2066 76 PRO HG2 H 1.923 0.020 2
439 2066 76 PRO HG3 H 1.892 0.020 2
440 2066 76 PRO HD2 H 3.558 0.020 2
441 2066 76 PRO HD3 H 3.188 0.020 2
442 2066 76 PRO C C 176.912 0.400 1
443 2066 76 PRO CA C 64.582 0.400 1
444 2066 76 PRO CB C 32.076 0.400 1
445 2066 76 PRO CG C 27.107 0.400 1
446 2066 76 PRO CD C 50.377 0.400 1
447 2067 77 GLU H H 9.221 0.020 1
448 2067 77 GLU HA H 4.244 0.020 1
449 2067 77 GLU HB2 H 2.022 0.020 2
450 2067 77 GLU HB3 H 1.898 0.020 2
451 2067 77 GLU HG2 H 2.226 0.020 2
452 2067 77 GLU C C 175.11 0.400 1
453 2067 77 GLU CA C 57.622 0.400 1
454 2067 77 GLU CB C 28.887 0.400 1
455 2067 77 GLU CG C 36.927 0.400 1
456 2067 77 GLU N N 118.639 0.400 1
457 2068 78 PHE H H 8.285 0.020 1
458 2068 78 PHE HA H 5.510 0.020 1
459 2068 78 PHE HB2 H 3.459 0.020 2
460 2068 78 PHE HB3 H 2.946 0.020 2
461 2068 78 PHE HD1 H 7.137 0.020 1
462 2068 78 PHE HD2 H 7.137 0.020 1
463 2068 78 PHE HE1 H 7.391 0.020 1
464 2068 78 PHE HE2 H 7.391 0.020 1
465 2068 78 PHE HZ H 7.509 0.020 1
466 2068 78 PHE C C 174.836 0.400 1
467 2068 78 PHE CA C 57.472 0.400 1
468 2068 78 PHE CB C 43.793 0.400 1
469 2068 78 PHE CD1 C 132.043 0.400 1
470 2068 78 PHE CD2 C 132.043 0.400 1
471 2068 78 PHE CE1 C 132.172 0.400 1
472 2068 78 PHE CE2 C 132.172 0.400 1
473 2068 78 PHE CZ C 129.967 0.400 1
474 2068 78 PHE N N 117.621 0.400 1
475 2069 79 ALA H H 9.057 0.020 1
476 2069 79 ALA HA H 4.756 0.020 1
477 2069 79 ALA HB H 1.437 0.020 1
478 2069 79 ALA C C 175.941 0.400 1
479 2069 79 ALA CA C 50.351 0.400 1
480 2069 79 ALA CB C 23.415 0.400 1
481 2069 79 ALA N N 120.889 0.400 1
482 2070 80 VAL H H 8.719 0.020 1
483 2070 80 VAL HA H 4.036 0.020 1
484 2070 80 VAL HB H 1.888 0.020 1
485 2070 80 VAL HG1 H 1.074 0.020 2
486 2070 80 VAL HG2 H 1.135 0.020 2
487 2070 80 VAL C C 175.433 0.400 1
488 2070 80 VAL CA C 64.327 0.400 1
489 2070 80 VAL CB C 32.178 0.400 1
490 2070 80 VAL CG1 C 23.747 0.400 1
491 2070 80 VAL CG2 C 21.801 0.400 1
492 2070 80 VAL N N 120.322 0.400 1
493 2071 81 ASP H H 8.309 0.020 1
494 2071 81 ASP HA H 4.476 0.020 1
495 2071 81 ASP HB2 H 2.686 0.020 2
496 2071 81 ASP HB3 H 2.308 0.020 2
497 2071 81 ASP C C 176.092 0.400 1
498 2071 81 ASP CA C 52.609 0.400 1
499 2071 81 ASP CB C 42.952 0.400 1
500 2071 81 ASP N N 127.517 0.400 1
501 2072 82 PRO HA H 4.257 0.020 1
502 2072 82 PRO HB2 H 2.418 0.020 2
503 2072 82 PRO HB3 H 2.015 0.020 2
504 2072 82 PRO HG2 H 2.025 0.020 2
505 2072 82 PRO HG3 H 2.101 0.020 2
506 2072 82 PRO HD2 H 4.058 0.020 1
507 2072 82 PRO HD3 H 4.058 0.020 1
508 2072 82 PRO C C 179.368 0.400 1
509 2072 82 PRO CA C 65.027 0.400 1
510 2072 82 PRO CB C 32.366 0.400 1
511 2072 82 PRO CG C 27.415 0.400 1
512 2072 82 PRO CD C 51.597 0.400 1
513 2073 83 ARG H H 8.622 0.020 1
514 2073 83 ARG HA H 4.099 0.020 1
515 2073 83 ARG HB2 H 1.924 0.020 1
516 2073 83 ARG HB3 H 1.924 0.020 1
517 2073 83 ARG HG2 H 1.727 0.020 1
518 2073 83 ARG HG3 H 1.727 0.020 1
519 2073 83 ARG HD2 H 3.281 0.020 1
520 2073 83 ARG HD3 H 3.281 0.020 1
521 2073 83 ARG C C 179.095 0.400 1
522 2073 83 ARG CA C 58.924 0.400 1
523 2073 83 ARG CB C 29.632 0.400 1
524 2073 83 ARG CG C 27.041 0.400 1
525 2073 83 ARG CD C 43.312 0.400 1
526 2073 83 ARG N N 118.922 0.400 1
527 2074 84 PHE H H 7.841 0.020 1
528 2074 84 PHE HA H 4.375 0.020 1
529 2074 84 PHE HB2 H 3.188 0.020 2
530 2074 84 PHE HB3 H 3.230 0.020 2
531 2074 84 PHE HD1 H 7.131 0.020 1
532 2074 84 PHE HD2 H 7.131 0.020 1
533 2074 84 PHE HE1 H 7.296 0.020 1
534 2074 84 PHE HE2 H 7.296 0.020 1
535 2074 84 PHE HZ H 7.213 0.020 1
536 2074 84 PHE C C 177.07 0.400 1
537 2074 84 PHE CA C 60.791 0.400 1
538 2074 84 PHE CB C 39.739 0.400 1
539 2074 84 PHE CD1 C 131.758 0.400 1
540 2074 84 PHE CD2 C 131.758 0.400 1
541 2074 84 PHE CE1 C 131.685 0.400 1
542 2074 84 PHE CE2 C 131.685 0.400 1
543 2074 84 PHE CZ C 129.893 0.400 1
544 2074 84 PHE N N 121.765 0.400 1
545 2075 85 LEU H H 7.746 0.020 1
546 2075 85 LEU HA H 3.929 0.020 1
547 2075 85 LEU HB2 H 1.790 0.020 2
548 2075 85 LEU HB3 H 1.579 0.020 2
549 2075 85 LEU HG H 1.713 0.020 1
550 2075 85 LEU HD1 H 0.939 0.020 2
551 2075 85 LEU HD2 H 0.902 0.020 2
552 2075 85 LEU C C 178.972 0.400 1
553 2075 85 LEU CA C 57.935 0.400 1
554 2075 85 LEU CB C 41.242 0.400 1
555 2075 85 LEU CG C 26.863 0.400 1
556 2075 85 LEU CD1 C 25.328 0.400 1
557 2075 85 LEU CD2 C 23.279 0.400 1
558 2075 85 LEU N N 119.040 0.400 1
559 2076 86 ALA H H 7.857 0.020 1
560 2076 86 ALA HA H 4.105 0.020 1
561 2076 86 ALA HB H 1.417 0.020 1
562 2076 86 ALA C C 179.473 0.400 1
563 2076 86 ALA CA C 54.924 0.400 1
564 2076 86 ALA CB C 17.961 0.400 1
565 2076 86 ALA N N 120.982 0.400 1
566 2077 87 TYR H H 7.549 0.020 1
567 2077 87 TYR HA H 4.311 0.020 1
568 2077 87 TYR HB2 H 3.105 0.020 2
569 2077 87 TYR HB3 H 2.997 0.020 2
570 2077 87 TYR HD1 H 6.846 0.020 1
571 2077 87 TYR HD2 H 6.846 0.020 1
572 2077 87 TYR HE1 H 6.713 0.020 1
573 2077 87 TYR HE2 H 6.713 0.020 1
574 2077 87 TYR C C 177.285 0.400 1
575 2077 87 TYR CA C 60.186 0.400 1
576 2077 87 TYR CB C 37.757 0.400 1
577 2077 87 TYR CD1 C 133.347 0.400 1
578 2077 87 TYR CD2 C 133.347 0.400 1
579 2077 87 TYR CE1 C 118.059 0.400 1
580 2077 87 TYR CE2 C 118.059 0.400 1
581 2077 87 TYR N N 120.168 0.400 1
582 2078 88 MET H H 8.022 0.020 1
583 2078 88 MET HA H 3.857 0.020 1
584 2078 88 MET HB2 H 2.022 0.020 2
585 2078 88 MET HB3 H 1.920 0.020 2
586 2078 88 MET HG2 H 2.288 0.020 1
587 2078 88 MET HG3 H 2.288 0.020 1
588 2078 88 MET C C 178.526 0.400 1
589 2078 88 MET CA C 57.354 0.400 1
590 2078 88 MET CB C 32.355 0.400 1
591 2078 88 MET CG C 32.422 0.400 1
592 2078 88 MET N N 118.228 0.400 1
593 2079 89 GLU H H 8.085 0.020 1
594 2079 89 GLU HG3 H 2.260 0.020 2
595 2079 89 GLU C C 178.025 0.400 1
596 2079 89 GLU CA C 58.775 0.400 1
597 2079 89 GLU CG C 36.086 0.400 1
598 2079 89 GLU N N 121.059 0.400 1
599 2080 90 ASP H H 7.989 0.020 1
600 2080 90 ASP HA H 4.391 0.020 1
601 2080 90 ASP HB2 H 2.708 0.020 2
602 2080 90 ASP HB3 H 2.620 0.020 2
603 2080 90 ASP C C 178.083 0.400 1
604 2080 90 ASP CA C 56.989 0.400 1
605 2080 90 ASP CB C 40.902 0.400 1
606 2080 90 ASP N N 120.691 0.400 1
stop_
save_