data_15524
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H and 15N Resonance assignments for the human RLIP76 Ral binding domain
;
_BMRB_accession_number 15524
_BMRB_flat_file_name bmr15524.str
_Entry_type original
_Submission_date 2007-10-15
_Accession_date 2007-10-15
_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 Fenwick Robert B. .
2 Prasannan Sunil . .
3 Campbell Louise J. .
4 Evetts Katrina A. .
5 Nietlispach Daniel . .
6 Owen Darerca . .
7 Mott Helen R. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 353
"15N chemical shifts" 60
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-08-12 update BMRB 'added PubMed ID'
2008-12-03 update BMRB 'complete entry citation'
2008-10-14 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
15525 'Ral binding domain of RLIP76 in complex with RalB'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Resonance assignments for the RLIP76 Ral binding domain in its free form and in complex with the small G protein RalB'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 19636902
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Fenwick 'R Bryn' . .
2 Prasannan Sunil . .
3 Campbell Louise J. .
4 Evetts Katrina A. .
5 Nietlispach Daniel . .
6 Owen Darerca . .
7 Mott Helen R. .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_name_full 'Biomolecular NMR Assignments'
_Journal_volume 2
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 191
_Page_last 194
_Year 2008
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name RLIP76
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
RLIP76 $RLIP76
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details 'Ral binding domain of RLIP76'
save_
########################
# Monomeric polymers #
########################
save_RLIP76
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common RLIP76
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 56
_Mol_residue_sequence
;
GSETQAGIKEEIRRQEFLLN
SLHRDLQGGIKDLSKEERLW
EVQRILTALKRKLREA
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 391 GLY 2 392 SER 3 393 GLU 4 394 THR 5 395 GLN
6 396 ALA 7 397 GLY 8 398 ILE 9 399 LYS 10 400 GLU
11 401 GLU 12 402 ILE 13 403 ARG 14 404 ARG 15 405 GLN
16 406 GLU 17 407 PHE 18 408 LEU 19 409 LEU 20 410 ASN
21 411 SER 22 412 LEU 23 413 HIS 24 414 ARG 25 415 ASP
26 416 LEU 27 417 GLN 28 418 GLY 29 419 GLY 30 420 ILE
31 421 LYS 32 422 ASP 33 423 LEU 34 424 SER 35 425 LYS
36 426 GLU 37 427 GLU 38 428 ARG 39 429 LEU 40 430 TRP
41 431 GLU 42 432 VAL 43 433 GLN 44 434 ARG 45 435 ILE
46 436 LEU 47 437 THR 48 438 ALA 49 439 LEU 50 440 LYS
51 441 ARG 52 442 LYS 53 443 LEU 54 444 ARG 55 445 GLU
56 446 ALA
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-22
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
BMRB 15525 RLIP76 100.00 56 100.00 100.00 4.75e-29
PDB 2KWH "Ral Binding Domain Of Rlip76 (Ralbp1)" 100.00 56 100.00 100.00 4.75e-29
PDB 2KWI "Ralb-Rlip76 (Ralbp1) Complex" 100.00 56 100.00 100.00 4.75e-29
GB AAI45321 "Ralbp1 protein [Mus musculus]" 75.00 594 97.62 97.62 2.57e-17
REF XP_004656898 "PREDICTED: ralA-binding protein 1 isoform X2 [Jaculus jaculus]" 75.00 601 97.62 97.62 2.69e-17
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$RLIP76 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_name
$RLIP76 'recombinant technology' . Escherichia coli . pGEX-2T
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
$RLIP76 0.8 mM '[U-98% 15N]'
D2O 10 % '[U-100% 2H]'
'sodium phosphate' 50 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
'sodium azide' 0.05 % 'natural abundance'
beta-mercaptoethanol 10 mM 'natural abundance'
'magnesium chloride' 1 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_AZARA
_Saveframe_category software
_Name AZARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
Boucher . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_Analysis
_Saveframe_category software
_Name Analysis
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Vranken, Boucher, Stevens, Fogh, Pajon, Llinas, Ulrich, Markley, Ionides and Laue' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_DRX502
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-1H_TOCSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_1
save_
save_2D_DQF-COSY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D DQF-COSY'
_Sample_label $sample_1
save_
save_2D_1H-1H_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-15N_TOCSY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N TOCSY'
_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
pH 6.3 . pH
pressure 1 . atm
temperature 298 . 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 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
$Analysis
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-1H TOCSY'
'2D DQF-COSY'
'2D 1H-1H NOESY'
'3D 1H-15N NOESY'
'3D 1H-15N TOCSY'
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 RLIP76
_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
1 393 3 GLU H H 8.824 0.005 1
2 393 3 GLU HA H 4.349 0.012 1
3 393 3 GLU HB2 H 1.931 0.009 2
4 393 3 GLU HB3 H 2.047 0.006 2
5 393 3 GLU HG2 H 2.239 0.008 1
6 393 3 GLU HG3 H 2.239 0.008 1
7 393 3 GLU N N 122.764 0.005 1
8 394 4 THR H H 8.147 0.002 1
9 394 4 THR HA H 4.347 0.013 1
10 394 4 THR HB H 4.347 0.014 1
11 394 4 THR HG2 H 1.211 0.005 1
12 394 4 THR N N 113.957 0.037 1
13 395 5 GLN H H 8.569 0.003 1
14 395 5 GLN HA H 3.981 0.013 1
15 395 5 GLN HB2 H 2.042 0.008 1
16 395 5 GLN HB3 H 2.042 0.008 1
17 395 5 GLN HE21 H 6.896 0.009 1
18 395 5 GLN HE22 H 7.633 0.002 1
19 395 5 GLN HG2 H 2.305 0.006 2
20 395 5 GLN HG3 H 2.380 0.014 2
21 395 5 GLN N N 120.934 0.009 1
22 395 5 GLN NE2 N 112.495 0.032 1
23 396 6 ALA H H 8.248 0.002 1
24 396 6 ALA HA H 3.999 0.015 1
25 396 6 ALA HB H 1.380 0.003 1
26 396 6 ALA N N 121.276 0.019 1
27 397 7 GLY H H 8.237 0.002 1
28 397 7 GLY HA2 H 3.848 0.015 2
29 397 7 GLY HA3 H 3.961 0.008 2
30 397 7 GLY N N 107.218 0.014 1
31 398 8 ILE H H 8.022 0.003 1
32 398 8 ILE HA H 3.804 0.015 1
33 398 8 ILE HB H 1.814 0.008 1
34 398 8 ILE HD1 H 0.720 0.012 1
35 398 8 ILE HG12 H 0.987 0.012 1
36 398 8 ILE HG13 H 0.987 0.012 1
37 398 8 ILE HG2 H 0.854 0.004 1
38 398 8 ILE N N 123.534 0.013 1
39 399 9 LYS H H 8.233 0.002 1
40 399 9 LYS HA H 3.832 0.018 1
41 399 9 LYS HB2 H 1.827 0.006 2
42 399 9 LYS HB3 H 1.859 0.002 2
43 399 9 LYS HD2 H 1.608 0.002 2
44 399 9 LYS HD3 H 1.608 0.002 2
45 399 9 LYS HE2 H 2.755 0.007 1
46 399 9 LYS HE3 H 2.755 0.007 1
47 399 9 LYS HG2 H 1.362 0.012 1
48 399 9 LYS HG3 H 1.362 0.012 1
49 399 9 LYS N N 118.975 0.018 1
50 400 10 GLU H H 7.941 0.005 1
51 400 10 GLU HA H 4.113 0.013 1
52 400 10 GLU HB2 H 2.108 0.009 1
53 400 10 GLU HB3 H 2.108 0.009 1
54 400 10 GLU HG2 H 2.288 0.007 1
55 400 10 GLU HG3 H 2.288 0.007 1
56 400 10 GLU N N 119.633 0.030 1
57 401 11 GLU H H 7.861 0.005 1
58 401 11 GLU HA H 4.125 0.008 1
59 401 11 GLU HB2 H 2.093 0.013 1
60 401 11 GLU HB3 H 2.093 0.013 1
61 401 11 GLU HG2 H 2.278 0.005 1
62 401 11 GLU HG3 H 2.278 0.005 1
63 401 11 GLU N N 121.681 0.024 1
64 402 12 ILE H H 8.631 0.005 1
65 402 12 ILE HA H 3.385 0.005 1
66 402 12 ILE HB H 1.871 0.009 1
67 402 12 ILE HD1 H 0.737 0.013 1
68 402 12 ILE HG12 H 0.748 0.006 2
69 402 12 ILE HG13 H 0.759 0.012 2
70 402 12 ILE HG2 H 0.760 0.012 1
71 402 12 ILE N N 120.368 0.012 1
72 403 13 ARG H H 7.691 0.003 1
73 403 13 ARG HA H 4.035 0.009 1
74 403 13 ARG HB2 H 1.887 0.011 2
75 403 13 ARG HB3 H 1.892 0.004 2
76 403 13 ARG HD2 H 3.172 0.009 1
77 403 13 ARG HD3 H 3.172 0.009 1
78 403 13 ARG HG2 H 1.716 0.004 1
79 403 13 ARG HG3 H 1.716 0.004 1
80 403 13 ARG N N 118.769 0.038 1
81 404 14 ARG H H 7.910 0.006 1
82 404 14 ARG HA H 4.029 0.005 1
83 404 14 ARG HB2 H 1.969 0.012 1
84 404 14 ARG HB3 H 1.969 0.012 1
85 404 14 ARG HD2 H 3.169 0.007 2
86 404 14 ARG HD3 H 3.172 0.008 2
87 404 14 ARG HG2 H 1.516 0.007 2
88 404 14 ARG HG3 H 1.772 0.014 2
89 404 14 ARG N N 119.106 0.034 1
90 405 15 GLN H H 8.454 0.002 1
91 405 15 GLN HA H 4.180 0.006 1
92 405 15 GLN HB2 H 1.964 0.009 1
93 405 15 GLN HB3 H 1.964 0.009 1
94 405 15 GLN HE21 H 6.153 0.003 1
95 405 15 GLN HE22 H 7.299 0.002 1
96 405 15 GLN HG2 H 2.160 0.008 2
97 405 15 GLN HG3 H 2.630 0.004 2
98 405 15 GLN N N 118.934 0.020 1
99 405 15 GLN NE2 N 108.307 0.030 1
100 406 16 GLU H H 9.021 0.003 1
101 406 16 GLU HA H 3.860 0.010 1
102 406 16 GLU HB2 H 2.114 0.002 2
103 406 16 GLU HB3 H 2.162 0.002 2
104 406 16 GLU HG2 H 1.889 0.006 2
105 406 16 GLU HG3 H 2.498 0.012 2
106 406 16 GLU N N 119.911 0.016 1
107 407 17 PHE H H 7.948 0.003 1
108 407 17 PHE HA H 4.265 0.007 1
109 407 17 PHE HB2 H 3.230 0.006 1
110 407 17 PHE HB3 H 3.230 0.006 1
111 407 17 PHE HD1 H 7.246 0.003 3
112 407 17 PHE HD2 H 7.246 0.003 3
113 407 17 PHE HE1 H 7.292 0.001 3
114 407 17 PHE HE2 H 7.292 0.001 3
115 407 17 PHE N N 120.038 0.028 1
116 408 18 LEU H H 7.750 0.004 1
117 408 18 LEU HA H 4.023 0.006 1
118 408 18 LEU HB2 H 1.778 0.022 1
119 408 18 LEU HB3 H 1.778 0.022 1
120 408 18 LEU HD1 H 0.898 0.008 1
121 408 18 LEU HD2 H 0.898 0.008 1
122 408 18 LEU HG H 1.656 0.000 1
123 408 18 LEU N N 122.068 0.034 1
124 409 19 LEU H H 8.699 0.003 1
125 409 19 LEU HA H 3.751 0.004 1
126 409 19 LEU HB2 H 1.854 0.011 1
127 409 19 LEU HB3 H 1.854 0.011 1
128 409 19 LEU HD1 H 0.805 0.016 2
129 409 19 LEU HD2 H 0.814 0.016 2
130 409 19 LEU HG H 1.604 0.010 1
131 409 19 LEU N N 120.885 0.026 1
132 410 20 ASN H H 8.123 0.006 1
133 410 20 ASN HA H 4.365 0.003 1
134 410 20 ASN HB2 H 2.664 0.006 2
135 410 20 ASN HB3 H 2.735 0.013 2
136 410 20 ASN HD21 H 6.907 0.002 1
137 410 20 ASN HD22 H 7.509 0.001 1
138 410 20 ASN N N 115.585 0.014 1
139 410 20 ASN ND2 N 112.729 0.031 1
140 411 21 SER H H 7.870 0.003 1
141 411 21 SER HA H 4.009 0.013 1
142 411 21 SER HB2 H 3.808 0.012 1
143 411 21 SER HB3 H 3.808 0.012 1
144 411 21 SER N N 116.443 0.018 1
145 412 22 LEU H H 8.185 0.008 1
146 412 22 LEU HA H 4.056 0.012 1
147 412 22 LEU HB2 H 1.871 0.008 1
148 412 22 LEU HB3 H 1.871 0.008 1
149 412 22 LEU HD1 H 0.825 0.007 2
150 412 22 LEU HD2 H 0.826 0.009 2
151 412 22 LEU HG H 1.158 0.002 1
152 412 22 LEU N N 122.739 0.016 1
153 413 23 HIS H H 8.324 0.003 1
154 413 23 HIS HA H 4.166 0.013 1
155 413 23 HIS HB2 H 3.114 0.015 2
156 413 23 HIS HB3 H 3.158 0.012 2
157 413 23 HIS HD2 H 6.972 0.001 1
158 413 23 HIS HE1 H 8.003 0.001 1
159 413 23 HIS N N 116.576 0.017 1
160 414 24 ARG H H 7.840 0.004 1
161 414 24 ARG HA H 3.985 0.006 1
162 414 24 ARG HB2 H 1.888 0.006 1
163 414 24 ARG HB3 H 1.888 0.006 1
164 414 24 ARG HD2 H 3.138 0.011 1
165 414 24 ARG HD3 H 3.138 0.011 1
166 414 24 ARG HG2 H 1.538 0.004 2
167 414 24 ARG HG3 H 1.731 0.014 2
168 414 24 ARG N N 118.970 0.025 1
169 415 25 ASP H H 7.918 0.003 1
170 415 25 ASP HA H 4.402 0.007 1
171 415 25 ASP HB2 H 2.588 0.009 2
172 415 25 ASP HB3 H 2.771 0.007 2
173 415 25 ASP N N 119.723 0.016 1
174 416 26 LEU H H 7.757 0.006 1
175 416 26 LEU HA H 4.248 0.001 1
176 416 26 LEU HB2 H 1.689 0.011 2
177 416 26 LEU HB3 H 1.689 0.011 2
178 416 26 LEU HD1 H 0.736 0.006 2
179 416 26 LEU HD2 H 0.844 0.008 2
180 416 26 LEU HG H 1.609 0.013 1
181 416 26 LEU N N 119.383 0.038 1
182 417 27 GLN H H 7.791 0.003 1
183 417 27 GLN HA H 4.140 0.002 1
184 417 27 GLN HB2 H 2.048 0.008 1
185 417 27 GLN HB3 H 2.048 0.008 1
186 417 27 GLN HE21 H 6.742 0.002 1
187 417 27 GLN HE22 H 7.348 0.002 1
188 417 27 GLN HG2 H 2.355 0.004 1
189 417 27 GLN HG3 H 2.355 0.004 1
190 417 27 GLN N N 119.287 0.026 1
191 417 27 GLN NE2 N 111.774 0.015 1
192 418 28 GLY H H 8.192 0.004 1
193 418 28 GLY HA2 H 3.924 0.009 1
194 418 28 GLY HA3 H 3.924 0.009 1
195 418 28 GLY N N 107.967 0.024 1
196 419 29 GLY H H 7.971 0.006 1
197 419 29 GLY HA2 H 3.849 0.005 2
198 419 29 GLY HA3 H 3.959 0.006 2
199 419 29 GLY N N 107.460 0.010 1
200 420 30 ILE H H 7.630 0.004 1
201 420 30 ILE HA H 4.017 0.009 1
202 420 30 ILE HB H 1.787 0.006 1
203 420 30 ILE HD1 H 0.783 0.003 1
204 420 30 ILE HG12 H 1.132 0.009 2
205 420 30 ILE HG13 H 1.392 0.012 2
206 420 30 ILE HG2 H 0.824 0.006 1
207 420 30 ILE N N 119.888 0.010 1
208 421 31 LYS H H 8.389 0.004 1
209 421 31 LYS HA H 4.252 0.006 1
210 421 31 LYS HB2 H 1.695 0.009 1
211 421 31 LYS HB3 H 1.695 0.009 1
212 421 31 LYS HD2 H 1.615 0.000 1
213 421 31 LYS HD3 H 1.615 0.000 1
214 421 31 LYS HE2 H 2.910 0.008 1
215 421 31 LYS HE3 H 2.910 0.008 1
216 421 31 LYS HG2 H 1.341 0.014 1
217 421 31 LYS HG3 H 1.341 0.014 1
218 421 31 LYS N N 126.491 0.025 1
219 422 32 ASP H H 8.188 0.003 1
220 422 32 ASP HA H 4.590 0.009 1
221 422 32 ASP HB2 H 2.468 0.014 2
222 422 32 ASP HB3 H 2.670 0.013 2
223 422 32 ASP N N 123.796 0.022 1
224 423 33 LEU H H 8.629 0.002 1
225 423 33 LEU HA H 4.053 0.005 1
226 423 33 LEU HB2 H 1.630 0.008 1
227 423 33 LEU HB3 H 1.630 0.008 1
228 423 33 LEU HD1 H 0.844 0.013 1
229 423 33 LEU HD2 H 0.844 0.013 1
230 423 33 LEU N N 125.811 0.029 1
231 424 34 SER H H 8.294 0.003 1
232 424 34 SER HA H 4.249 0.003 1
233 424 34 SER HB2 H 3.904 0.004 1
234 424 34 SER HB3 H 3.904 0.004 1
235 424 34 SER N N 114.762 0.035 1
236 425 35 LYS H H 7.741 0.007 1
237 425 35 LYS HA H 3.961 0.015 1
238 425 35 LYS HB2 H 1.670 0.009 2
239 425 35 LYS HB3 H 1.826 0.003 2
240 425 35 LYS HD2 H 1.445 0.012 1
241 425 35 LYS HD3 H 1.445 0.012 1
242 425 35 LYS HE2 H 2.885 0.000 1
243 425 35 LYS HE3 H 2.885 0.000 1
244 425 35 LYS HG2 H 1.249 0.007 1
245 425 35 LYS HG3 H 1.249 0.007 1
246 425 35 LYS N N 122.658 0.029 1
247 426 36 GLU H H 7.983 0.002 1
248 426 36 GLU HA H 3.705 0.008 1
249 426 36 GLU HB2 H 1.952 0.006 1
250 426 36 GLU HB3 H 1.952 0.006 1
251 426 36 GLU HG2 H 2.224 0.006 1
252 426 36 GLU HG3 H 2.224 0.006 1
253 426 36 GLU N N 119.578 0.022 1
254 427 37 GLU H H 7.984 0.002 1
255 427 37 GLU HA H 3.931 0.007 1
256 427 37 GLU HB2 H 2.030 0.011 1
257 427 37 GLU HB3 H 2.030 0.011 1
258 427 37 GLU HG2 H 2.221 0.005 2
259 427 37 GLU HG3 H 2.367 0.008 2
260 427 37 GLU N N 117.929 0.010 1
261 428 38 ARG H H 7.675 0.004 1
262 428 38 ARG HA H 4.073 0.015 1
263 428 38 ARG HB2 H 1.888 0.003 1
264 428 38 ARG HB3 H 1.888 0.003 1
265 428 38 ARG HD2 H 3.105 0.000 1
266 428 38 ARG HD3 H 3.105 0.000 1
267 428 38 ARG HG2 H 1.703 0.009 1
268 428 38 ARG HG3 H 1.703 0.009 1
269 428 38 ARG N N 119.484 0.024 1
270 429 39 LEU H H 7.987 0.005 1
271 429 39 LEU HA H 3.766 0.007 1
272 429 39 LEU HB2 H 1.717 0.008 1
273 429 39 LEU HB3 H 1.717 0.008 1
274 429 39 LEU HD1 H 0.604 0.008 1
275 429 39 LEU HD2 H 0.604 0.008 1
276 429 39 LEU HG H 1.438 0.015 1
277 429 39 LEU N N 120.547 0.024 1
278 430 40 TRP H H 7.813 0.004 1
279 430 40 TRP HA H 4.449 0.008 1
280 430 40 TRP HB2 H 3.345 0.004 1
281 430 40 TRP HB3 H 3.345 0.004 1
282 430 40 TRP HD1 H 7.209 0.001 1
283 430 40 TRP HE1 H 10.136 0.005 1
284 430 40 TRP HE3 H 7.573 0.003 1
285 430 40 TRP HH2 H 7.125 0.007 1
286 430 40 TRP HZ2 H 7.379 0.004 1
287 430 40 TRP HZ3 H 7.074 0.004 1
288 430 40 TRP N N 118.541 0.013 1
289 430 40 TRP NE1 N 128.518 0.072 1
290 431 41 GLU H H 7.936 0.006 1
291 431 41 GLU HA H 4.078 0.009 1
292 431 41 GLU HB2 H 2.181 0.008 1
293 431 41 GLU HB3 H 2.181 0.008 1
294 431 41 GLU HG2 H 2.308 0.016 1
295 431 41 GLU HG3 H 2.308 0.016 1
296 431 41 GLU N N 119.810 0.067 1
297 432 42 VAL H H 8.370 0.003 1
298 432 42 VAL HA H 3.619 0.010 1
299 432 42 VAL HB H 2.068 0.005 1
300 432 42 VAL HG1 H 1.027 0.006 2
301 432 42 VAL HG2 H 1.029 0.010 2
302 432 42 VAL N N 120.315 0.009 1
303 433 43 GLN H H 8.337 0.003 1
304 433 43 GLN HA H 3.962 0.005 1
305 433 43 GLN HB2 H 2.056 0.014 2
306 433 43 GLN HB3 H 2.200 0.011 2
307 433 43 GLN HE21 H 6.716 0.002 1
308 433 43 GLN HE22 H 7.048 0.007 1
309 433 43 GLN HG2 H 2.269 0.004 2
310 433 43 GLN HG3 H 2.431 0.008 2
311 433 43 GLN N N 118.235 0.017 1
312 433 43 GLN NE2 N 110.399 0.032 1
313 434 44 ARG H H 7.932 0.004 1
314 434 44 ARG HA H 3.924 0.005 1
315 434 44 ARG HB2 H 1.823 0.006 2
316 434 44 ARG HB3 H 1.824 0.007 2
317 434 44 ARG HD2 H 2.985 0.004 2
318 434 44 ARG HD3 H 3.021 0.013 2
319 434 44 ARG HG2 H 1.427 0.011 2
320 434 44 ARG HG3 H 1.617 0.003 2
321 434 44 ARG N N 120.520 0.018 1
322 435 45 ILE H H 8.128 0.004 1
323 435 45 ILE HA H 3.688 0.011 1
324 435 45 ILE HB H 1.955 0.003 1
325 435 45 ILE HD1 H 0.806 0.021 1
326 435 45 ILE HG12 H 1.063 0.010 2
327 435 45 ILE HG13 H 1.685 0.006 2
328 435 45 ILE HG2 H 0.840 0.005 1
329 435 45 ILE N N 122.737 0.023 1
330 436 46 LEU H H 8.652 0.009 1
331 436 46 LEU HA H 3.920 0.004 1
332 436 46 LEU HB2 H 1.792 0.005 1
333 436 46 LEU HB3 H 1.792 0.005 1
334 436 46 LEU HD1 H 0.834 0.000 1
335 436 46 LEU HD2 H 0.834 0.000 1
336 436 46 LEU HG H 1.618 0.007 1
337 436 46 LEU N N 120.967 0.018 1
338 437 47 THR H H 8.273 0.006 1
339 437 47 THR HA H 3.747 0.011 1
340 437 47 THR HB H 4.191 0.008 1
341 437 47 THR HG2 H 1.178 0.004 1
342 437 47 THR N N 115.318 0.031 1
343 438 48 ALA H H 7.612 0.002 1
344 438 48 ALA HA H 4.055 0.005 1
345 438 48 ALA HB H 1.466 0.006 1
346 438 48 ALA N N 123.598 0.020 1
347 439 49 LEU H H 8.523 0.004 1
348 439 49 LEU HA H 3.927 0.005 1
349 439 49 LEU HB2 H 1.904 0.009 1
350 439 49 LEU HB3 H 1.904 0.009 1
351 439 49 LEU HD1 H 0.772 0.002 2
352 439 49 LEU HD2 H 0.833 0.000 2
353 439 49 LEU HG H 1.268 0.008 1
354 439 49 LEU N N 119.944 0.019 1
355 440 50 LYS H H 8.243 0.003 1
356 440 50 LYS HA H 3.778 0.007 1
357 440 50 LYS HB2 H 1.824 0.009 1
358 440 50 LYS HB3 H 1.824 0.009 1
359 440 50 LYS HD2 H 1.612 0.006 1
360 440 50 LYS HD3 H 1.612 0.006 1
361 440 50 LYS HE2 H 2.891 0.007 1
362 440 50 LYS HE3 H 2.891 0.007 1
363 440 50 LYS HG2 H 1.370 0.010 1
364 440 50 LYS HG3 H 1.370 0.010 1
365 440 50 LYS N N 117.068 0.009 1
366 441 51 ARG H H 7.573 0.003 1
367 441 51 ARG HA H 4.024 0.009 1
368 441 51 ARG HB2 H 1.884 0.010 1
369 441 51 ARG HB3 H 1.884 0.010 1
370 441 51 ARG HD2 H 3.129 0.007 1
371 441 51 ARG HD3 H 3.129 0.007 1
372 441 51 ARG HG2 H 1.585 0.009 2
373 441 51 ARG HG3 H 1.746 0.003 2
374 441 51 ARG N N 118.549 0.010 1
375 442 52 LYS H H 7.688 0.004 1
376 442 52 LYS HA H 4.039 0.008 1
377 442 52 LYS HB2 H 1.890 0.010 2
378 442 52 LYS HB3 H 1.962 0.014 2
379 442 52 LYS HD2 H 1.604 0.007 2
380 442 52 LYS HD3 H 1.606 0.005 2
381 442 52 LYS HE2 H 3.185 0.004 1
382 442 52 LYS HE3 H 3.185 0.004 1
383 442 52 LYS HG2 H 1.417 0.005 2
384 442 52 LYS HG3 H 1.418 0.005 2
385 442 52 LYS N N 118.588 0.034 1
386 443 53 LEU H H 7.642 0.002 1
387 443 53 LEU HA H 4.157 0.003 1
388 443 53 LEU HB2 H 1.648 0.009 1
389 443 53 LEU HB3 H 1.648 0.009 1
390 443 53 LEU HD1 H 0.806 0.016 2
391 443 53 LEU HD2 H 0.846 0.009 2
392 443 53 LEU HG H 1.649 0.009 1
393 443 53 LEU N N 118.548 0.012 1
394 444 54 ARG H H 7.723 0.003 1
395 444 54 ARG HA H 4.224 0.002 1
396 444 54 ARG HB2 H 1.817 0.017 1
397 444 54 ARG HB3 H 1.817 0.017 1
398 444 54 ARG HD2 H 3.163 0.001 1
399 444 54 ARG HD3 H 3.163 0.001 1
400 444 54 ARG HG2 H 1.640 0.013 1
401 444 54 ARG HG3 H 1.640 0.013 1
402 444 54 ARG N N 118.267 0.012 1
403 445 55 GLU H H 7.880 0.005 1
404 445 55 GLU HA H 4.232 0.005 1
405 445 55 GLU HB2 H 1.879 0.009 2
406 445 55 GLU HB3 H 2.068 0.011 2
407 445 55 GLU HG2 H 2.190 0.002 2
408 445 55 GLU HG3 H 2.283 0.006 2
409 445 55 GLU N N 119.778 0.016 1
410 446 56 ALA H H 7.637 0.007 1
411 446 56 ALA HA H 4.047 0.007 1
412 446 56 ALA HB H 1.286 0.002 1
413 446 56 ALA N N 129.477 0.009 1
stop_
save_