data_5210
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR Solution Structure of sTva47, the Viral-Binding Domain of Tva
;
_BMRB_accession_number 5210
_BMRB_flat_file_name bmr5210.str
_Entry_type original
_Submission_date 2001-11-15
_Accession_date 2001-11-15
_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 Tonelli M. . .
2 Peters R. J. .
3 James T. L. .
4 Agard D. A. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 235
"13C chemical shifts" 135
"15N chemical shifts" 44
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2002-02-05 original author .
stop_
_Original_release_date 2002-02-05
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
The Solution Structure of the Viral-Binding Domain of Tva, the Cellular Receptor
for Subgroup A Avian Leukosis and Sarcoma Virus
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 11768384
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tonelli M. . .
2 Peters R. J. .
3 James T. L. .
4 Agard D. A. .
stop_
_Journal_abbreviation 'FEBS Lett.'
_Journal_volume 509
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 161
_Page_last 168
_Year 2001
_Details .
loop_
_Keyword
'3-10 helix'
'beta hairpin'
'calcium binding'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_sTva47
_Saveframe_category molecular_system
_Mol_system_name 'subgroup A Rous Sarcoma virus receptors PG800 and PG950'
_Abbreviation_common sTva47
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'subgroup A Rous Sarcoma virus receptors' $sTva47
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all disulfide bound'
loop_
_Biological_function
;
This molecule (sTva47) represent only a portion of the extracellular domain of
the receptor called Tva that binds to the envelope glycoprotein of subgroup A
Avian Leukosis and Sarcoma virus.
;
stop_
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_sTva47
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'subgroup A Rous Sarcoma virus receptors'
_Abbreviation_common sTva47
_Molecular_mass .
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 47
_Mol_residue_sequence
;
ISEFGSCPPGQFRCSEPPGA
HGECYPQDWLCDGHPDCDDG
RDEWGCG
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -5 ILE 2 -4 SER 3 -3 GLU 4 -2 PHE 5 -1 GLY
6 10 SER 7 11 CYS 8 12 PRO 9 13 PRO 10 14 GLY
11 15 GLN 12 16 PHE 13 17 ARG 14 18 CYS 15 19 SER
16 20 GLU 17 21 PRO 18 22 PRO 19 23 GLY 20 24 ALA
21 25 HIS 22 26 GLY 23 27 GLU 24 28 CYS 25 29 TYR
26 30 PRO 27 31 GLN 28 32 ASP 29 33 TRP 30 34 LEU
31 35 CYS 32 36 ASP 33 37 GLY 34 38 HIS 35 39 PRO
36 40 ASP 37 41 CYS 38 42 ASP 39 43 ASP 40 44 GLY
41 45 ARG 42 46 ASP 43 47 GLU 44 48 TRP 45 49 GLY
46 50 CYS 47 51 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-10-26
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 1JRF "Nmr Solution Structure Of The Viral Receptor Domain Of Tva" 87.23 47 100.00 100.00 1.62e-20
PDB 1K7B "Nmr Solution Structure Of Stva47, The Viral-Binding Domain Of Tva" 100.00 47 100.00 100.00 1.91e-24
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$sTva47 Quail 9008 Eukaryota Metazoa Callipepla .
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
$sTva47 'recombinant technology' 'E. coli' . . . .
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
$sTva47 2 mM '[U-15N; U-13C]'
'sodium acetate' 50 mM [U-2H]
'calcium cloride' 5 mM .
D2O 10 % .
H2O 90 % .
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1
loop_
_Task
collection
stop_
_Details Varian
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version sgi6x
loop_
_Task
processing
stop_
_Details Delaglio
save_
save_Sparky
_Saveframe_category software
_Name SPARKY
_Version 3
loop_
_Task
'data analysis'
stop_
_Details Goddard
save_
save_DYANA
_Saveframe_category software
_Name DYANA
_Version 1.5
loop_
_Task
refinement
stop_
_Details Guntert
save_
save_AMBER
_Saveframe_category software
_Name AMBER
_Version 6.0
loop_
_Task
refinement
stop_
_Details Kollman
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UnityPlus
_Field_strength 600
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DMX
_Field_strength 600
_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_
save_NMR_spec_expt__0_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spec_expt__0_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.065 . M
pH 5.5 . n/a
pressure 1 . atm
temperature 313 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
H2O C 13 protons ppm 4.895 internal indirect . . . 0.251449530 $entry_citation $entry_citation
H2O H 1 protons ppm 4.895 internal direct . . . 1.0 $entry_citation $entry_citation
H2O N 15 protons ppm 4.895 internal indirect . . . 0.10139118 $entry_citation $entry_citation
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_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'subgroup A Rous Sarcoma virus receptors'
_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 . 1 ILE CA C 61.116 0.025 1
2 . 1 ILE CB C 39.706 0.029 1
3 . 1 ILE CD1 C 13.887 0.050 1
4 . 1 ILE CG1 C 27.346 0.030 1
5 . 1 ILE CG2 C 17.440 0.016 1
6 . 1 ILE HA H 3.929 0.006 1
7 . 1 ILE HB H 1.991 0.008 1
8 . 1 ILE HD1 H 0.939 0.009 1
9 . 1 ILE HG12 H 1.526 0.007 2
10 . 1 ILE HG13 H 1.259 0.004 2
11 . 1 ILE HG2 H 1.007 0.013 1
12 . 2 SER CA C 58.776 0.024 1
13 . 2 SER CB C 64.402 0.028 1
14 . 2 SER H H 8.762 0.002 1
15 . 2 SER HA H 4.523 0.009 1
16 . 2 SER HB2 H 3.847 0.011 2
17 . 2 SER N N 120.294 0.007 1
18 . 3 GLU N N 123.909 0.025 1
19 . 3 GLU H H 8.706 0.005 1
20 . 3 GLU CA C 57.342 0.032 1
21 . 3 GLU CB C 30.786 0.041 1
22 . 3 GLU CG C 36.475 0.065 1
23 . 3 GLU HA H 4.243 0.012 1
24 . 3 GLU HB2 H 1.880 0.005 2
25 . 3 GLU HG2 H 2.101 0.005 2
26 . 4 PHE H H 8.444 0.002 1
27 . 4 PHE N N 120.922 0.029 1
28 . 4 PHE CA C 58.366 0.050 1
29 . 4 PHE CB C 40.176 0.026 1
30 . 4 PHE CD1 C 131.798 0.047 3
31 . 4 PHE CE1 C 129.965 0.000 3
32 . 4 PHE HA H 4.662 0.008 1
33 . 4 PHE HB2 H 3.220 0.007 2
34 . 4 PHE HB3 H 2.978 0.009 2
35 . 4 PHE HD2 H 7.249 0.008 3
36 . 4 PHE HE2 H 7.274 0.004 3
37 . 5 GLY CA C 45.779 0.087 1
38 . 5 GLY H H 8.410 0.006 1
39 . 5 GLY HA2 H 3.954 0.010 2
40 . 5 GLY N N 110.673 0.050 1
41 . 6 SER CA C 59.030 0.027 1
42 . 6 SER CB C 64.714 0.036 1
43 . 6 SER H H 8.291 0.008 1
44 . 6 SER HA H 4.481 0.006 1
45 . 6 SER HB2 H 3.911 0.001 2
46 . 6 SER N N 116.126 0.028 1
47 . 7 CYS CA C 53.932 0.002 1
48 . 7 CYS CB C 40.259 0.029 1
49 . 7 CYS H H 8.654 0.006 1
50 . 7 CYS HA H 4.999 0.004 1
51 . 7 CYS HB2 H 2.878 0.005 2
52 . 7 CYS HB3 H 2.534 0.007 2
53 . 7 CYS N N 121.168 0.024 1
54 . 8 PRO CA C 62.589 0.036 1
55 . 8 PRO CB C 31.139 0.020 1
56 . 8 PRO CD C 51.065 0.045 1
57 . 8 PRO CG C 28.489 0.015 1
58 . 8 PRO HA H 4.664 0.004 1
59 . 8 PRO HB2 H 2.422 0.010 2
60 . 8 PRO HB3 H 1.592 0.006 2
61 . 8 PRO HD2 H 3.869 0.007 2
62 . 8 PRO HD3 H 3.371 0.006 2
63 . 8 PRO HG2 H 1.917 0.007 2
64 . 9 PRO CA C 64.416 0.065 1
65 . 9 PRO CB C 32.269 0.038 1
66 . 9 PRO CD C 50.844 0.060 1
67 . 9 PRO CG C 28.479 0.049 1
68 . 9 PRO HA H 4.356 0.005 1
69 . 9 PRO HB2 H 2.346 0.009 2
70 . 9 PRO HB3 H 1.883 0.007 2
71 . 9 PRO HD2 H 3.842 0.007 2
72 . 9 PRO HD3 H 3.560 0.006 2
73 . 9 PRO HG2 H 2.144 0.004 2
74 . 9 PRO HG3 H 2.044 0.008 2
75 . 10 GLY CA C 45.877 0.046 1
76 . 10 GLY H H 8.939 0.005 1
77 . 10 GLY HA2 H 4.281 0.008 2
78 . 10 GLY HA3 H 3.723 0.009 2
79 . 10 GLY N N 111.888 0.035 1
80 . 11 GLN CA C 55.536 0.030 1
81 . 11 GLN CB C 32.828 0.051 1
82 . 11 GLN CG C 34.506 0.033 1
83 . 11 GLN H H 7.884 0.006 1
84 . 11 GLN HA H 5.276 0.007 1
85 . 11 GLN HB2 H 1.966 0.008 2
86 . 11 GLN HB3 H 1.841 0.008 2
87 . 11 GLN HE21 H 7.197 0.004 2
88 . 11 GLN HE22 H 6.456 0.006 2
89 . 11 GLN HG2 H 2.133 0.010 2
90 . 11 GLN HG3 H 1.954 0.009 2
91 . 11 GLN NE2 N 108.354 0.062 1
92 . 12 PHE CA C 56.524 0.033 1
93 . 12 PHE CB C 43.453 0.029 1
94 . 12 PHE CD1 C 132.440 0.108 3
95 . 12 PHE CE1 C 131.864 0.156 3
96 . 12 PHE CZ C 128.735 0.052 1
97 . 12 PHE H H 9.419 0.007 1
98 . 12 PHE HA H 5.081 0.008 1
99 . 12 PHE HB2 H 3.160 0.008 2
100 . 12 PHE HB3 H 2.937 0.007 2
101 . 12 PHE HD2 H 6.928 0.011 3
102 . 12 PHE HE2 H 7.327 0.011 3
103 . 12 PHE HZ H 7.108 0.010 1
104 . 13 ARG CA C 54.732 0.037 1
105 . 13 ARG CB C 34.215 0.029 1
106 . 13 ARG CD C 44.363 0.016 1
107 . 13 ARG CG C 28.175 0.046 1
108 . 13 ARG H H 8.517 0.007 1
109 . 13 ARG HA H 4.798 0.004 1
110 . 13 ARG HB2 H 1.832 0.005 2
111 . 13 ARG HB3 H 1.690 0.012 2
112 . 13 ARG HD2 H 3.105 0.006 2
113 . 13 ARG HE H 6.904 0.009 1
114 . 13 ARG HG2 H 1.616 0.013 2
115 . 13 ARG HH11 H 6.826 0.012 2
116 . 13 ARG HH21 H 6.392 0.012 2
117 . 13 ARG N N 118.871 0.051 1
118 . 13 ARG NE N 113.260 0.042 1
119 . 14 CYS CA C 55.675 0.050 1
120 . 14 CYS CB C 39.367 0.032 1
121 . 14 CYS H H 8.766 0.003 1
122 . 14 CYS HA H 4.777 0.007 1
123 . 14 CYS HB2 H 3.710 0.006 2
124 . 14 CYS HB3 H 2.921 0.006 2
125 . 14 CYS N N 121.696 0.078 1
126 . 15 SER CA C 59.584 0.033 1
127 . 15 SER CB C 63.847 0.087 1
128 . 15 SER H H 8.557 0.019 1
129 . 15 SER HA H 4.379 0.005 1
130 . 15 SER HB2 H 3.893 0.010 2
131 . 15 SER N N 115.526 0.131 1
132 . 16 GLU CA C 54.781 0.053 1
133 . 16 GLU CB C 30.917 0.060 1
134 . 16 GLU CG C 36.058 0.104 1
135 . 16 GLU H H 8.496 0.009 1
136 . 16 GLU HA H 4.766 0.006 1
137 . 16 GLU HB2 H 2.095 0.006 2
138 . 16 GLU HB3 H 1.854 0.008 2
139 . 16 GLU HG2 H 2.270 0.006 2
140 . 16 GLU N N 123.886 0.041 1
141 . 17 PRO CA C 62.418 0.025 1
142 . 17 PRO CB C 31.191 0.036 1
143 . 17 PRO CD C 51.133 0.032 1
144 . 17 PRO CG C 27.938 0.047 1
145 . 17 PRO HA H 4.754 0.008 1
146 . 17 PRO HB2 H 2.374 0.007 2
147 . 17 PRO HB3 H 1.905 0.005 2
148 . 17 PRO HD2 H 3.808 0.009 2
149 . 17 PRO HD3 H 3.603 0.006 2
150 . 17 PRO HG2 H 2.008 0.006 2
151 . 18 PRO CA C 64.503 0.051 1
152 . 18 PRO CB C 32.210 0.048 1
153 . 18 PRO CD C 50.891 0.028 1
154 . 18 PRO CG C 28.403 0.002 1
155 . 18 PRO HA H 4.373 0.006 1
156 . 18 PRO HB2 H 2.317 0.009 2
157 . 18 PRO HB3 H 1.910 0.005 2
158 . 18 PRO HD2 H 3.861 0.007 2
159 . 18 PRO HD3 H 3.634 0.006 2
160 . 18 PRO HG2 H 2.141 0.008 2
161 . 18 PRO HG3 H 2.061 0.002 2
162 . 19 GLY CA C 45.931 0.074 1
163 . 19 GLY H H 8.704 0.009 1
164 . 19 GLY HA2 H 4.095 0.010 2
165 . 19 GLY HA3 H 3.773 0.007 2
166 . 19 GLY N N 111.670 0.037 1
167 . 20 ALA CA C 52.561 0.072 1
168 . 20 ALA CB C 20.607 0.020 1
169 . 20 ALA H H 7.896 0.004 1
170 . 20 ALA HA H 4.362 0.004 1
171 . 20 ALA HB H 1.375 0.005 1
172 . 20 ALA N N 123.238 0.038 1
173 . 21 HIS CA C 55.654 0.047 1
174 . 21 HIS CB C 29.709 0.059 1
175 . 21 HIS CD2 C 120.138 0.010 1
176 . 21 HIS CE1 C 136.716 0.025 1
177 . 21 HIS H H 8.550 0.014 1
178 . 21 HIS HA H 4.749 0.002 1
179 . 21 HIS HB2 H 3.198 0.004 2
180 . 21 HIS HB3 H 3.119 0.003 2
181 . 21 HIS HD2 H 7.232 0.013 2
182 . 21 HIS HE1 H 8.515 0.001 1
183 . 21 HIS N N 117.112 0.045 1
184 . 22 GLY CA C 45.549 0.049 1
185 . 22 GLY H H 8.807 0.009 1
186 . 22 GLY HA2 H 4.110 0.006 2
187 . 22 GLY HA3 H 3.788 0.007 2
188 . 22 GLY N N 111.290 0.034 1
189 . 23 GLU CA C 56.607 0.038 1
190 . 23 GLU CB C 31.687 0.026 1
191 . 23 GLU CG C 36.503 0.061 1
192 . 23 GLU H H 8.315 0.004 1
193 . 23 GLU HA H 4.148 0.008 1
194 . 23 GLU HB2 H 1.716 0.007 2
195 . 23 GLU HG2 H 2.207 0.009 2
196 . 23 GLU N N 121.183 0.041 1
197 . 24 CYS CA C 56.174 0.012 1
198 . 24 CYS CB C 45.087 0.065 1
199 . 24 CYS H H 8.123 0.005 1
200 . 24 CYS HA H 4.592 0.008 1
201 . 24 CYS HB2 H 2.953 0.008 2
202 . 24 CYS HB3 H 2.855 0.003 2
203 . 24 CYS N N 118.669 0.049 1
204 . 25 TYR CA C 53.895 0.012 1
205 . 25 TYR CB C 39.401 0.032 1
206 . 25 TYR CD1 C 132.697 0.059 3
207 . 25 TYR CE1 C 118.121 0.067 3
208 . 25 TYR H H 9.093 0.004 1
209 . 25 TYR HA H 4.554 0.008 1
210 . 25 TYR HB2 H 2.222 0.006 2
211 . 25 TYR HB3 H 1.501 0.004 2
212 . 25 TYR HD1 H 6.726 0.014 3
213 . 25 TYR HE1 H 6.837 0.012 3
214 . 25 TYR N N 123.470 0.023 1
215 . 26 PRO CA C 63.613 0.037 1
216 . 26 PRO CB C 33.156 0.037 1
217 . 26 PRO CD C 49.868 0.020 1
218 . 26 PRO CG C 27.701 0.029 1
219 . 26 PRO HA H 4.269 0.005 1
220 . 26 PRO HB2 H 2.202 0.006 2
221 . 26 PRO HB3 H 1.582 0.013 2
222 . 26 PRO HD2 H 3.069 0.010 2
223 . 26 PRO HD3 H 1.533 0.014 2
224 . 26 PRO HG2 H 1.492 0.008 2
225 . 26 PRO HG3 H 1.120 0.009 2
226 . 27 GLN CA C 59.443 0.017 1
227 . 27 GLN CB C 28.575 0.038 1
228 . 27 GLN CG C 34.645 0.034 1
229 . 27 GLN H H 8.613 0.007 1
230 . 27 GLN HA H 4.186 0.006 1
231 . 27 GLN HB2 H 2.094 0.010 2
232 . 27 GLN HE21 H 7.445 0.005 2
233 . 27 GLN HE22 H 6.914 0.007 2
234 . 27 GLN HG2 H 2.458 0.007 2
235 . 27 GLN HG3 H 2.297 0.006 2
236 . 27 GLN N N 120.900 0.025 1
237 . 27 GLN NE2 N 111.235 0.019 1
238 . 28 ASP CA C 56.538 0.048 1
239 . 28 ASP CB C 40.629 0.060 1
240 . 28 ASP H H 8.476 0.008 1
241 . 28 ASP HA H 4.601 0.008 1
242 . 28 ASP HB2 H 2.906 0.008 2
243 . 28 ASP HB3 H 2.689 0.006 2
244 . 28 ASP N N 117.783 0.053 1
245 . 29 TRP CA C 56.508 0.046 1
246 . 29 TRP CB C 28.624 0.038 1
247 . 29 TRP CD1 C 123.801 0.047 1
248 . 29 TRP CE3 C 120.601 0.025 1
249 . 29 TRP CH2 C 124.395 0.092 1
250 . 29 TRP CZ2 C 114.015 0.070 1
251 . 29 TRP CZ3 C 121.798 0.041 1
252 . 29 TRP H H 8.340 0.010 1
253 . 29 TRP HA H 5.203 0.007 1
254 . 29 TRP HB2 H 4.041 0.010 2
255 . 29 TRP HB3 H 3.419 0.009 2
256 . 29 TRP HD1 H 6.900 0.012 1
257 . 29 TRP HE1 H 9.940 0.007 1
258 . 29 TRP HE3 H 6.988 0.007 1
259 . 29 TRP HH2 H 7.060 0.010 1
260 . 29 TRP HZ2 H 7.417 0.007 1
261 . 29 TRP HZ3 H 6.228 0.015 1
262 . 29 TRP N N 117.512 0.050 1
263 . 29 TRP NE1 N 126.636 0.018 1
264 . 30 LEU CA C 55.986 0.038 1
265 . 30 LEU CB C 41.819 0.045 1
266 . 30 LEU CD1 C 22.834 0.014 1
267 . 30 LEU CD2 C 25.772 0.044 1
268 . 30 LEU CG C 27.579 0.035 1
269 . 30 LEU H H 8.258 0.010 1
270 . 30 LEU HA H 4.383 0.009 1
271 . 30 LEU HB2 H 1.936 0.017 2
272 . 30 LEU HB3 H 1.268 0.008 2
273 . 30 LEU HD1 H 0.031 0.008 1
274 . 30 LEU HD2 H 0.724 0.007 1
275 . 30 LEU HG H 1.258 0.009 1
276 . 30 LEU N N 126.444 0.043 1
277 . 31 CYS CA C 55.658 0.035 1
278 . 31 CYS CB C 35.944 0.039 1
279 . 31 CYS H H 8.549 0.006 1
280 . 31 CYS HA H 4.909 0.007 1
281 . 31 CYS HB2 H 3.393 0.005 2
282 . 31 CYS HB3 H 3.014 0.008 2
283 . 31 CYS N N 119.061 0.040 1
284 . 32 ASP CA C 53.008 0.015 1
285 . 32 ASP CB C 41.893 0.031 1
286 . 32 ASP H H 9.478 0.006 1
287 . 32 ASP HA H 4.913 0.007 1
288 . 32 ASP HB2 H 3.149 0.005 2
289 . 32 ASP HB3 H 2.830 0.004 2
290 . 32 ASP N N 120.846 0.038 1
291 . 33 GLY CA C 45.987 0.025 1
292 . 33 GLY H H 9.537 0.006 1
293 . 33 GLY HA2 H 4.227 0.006 2
294 . 33 GLY HA3 H 3.577 0.006 2
295 . 33 GLY N N 111.313 0.026 1
296 . 34 HIS CA C 52.836 0.016 1
297 . 34 HIS CB C 30.942 0.045 1
298 . 34 HIS CD2 C 120.681 0.199 1
299 . 34 HIS CE1 C 136.533 0.022 1
300 . 34 HIS H H 7.697 0.006 1
301 . 34 HIS HA H 5.195 0.006 1
302 . 34 HIS HB2 H 3.183 0.009 2
303 . 34 HIS HB3 H 3.029 0.006 2
304 . 34 HIS HD2 H 7.269 0.009 2
305 . 34 HIS HE1 H 8.389 0.003 1
306 . 34 HIS N N 118.219 0.039 1
307 . 35 PRO CA C 63.455 0.041 1
308 . 35 PRO CB C 30.898 0.023 1
309 . 35 PRO CD C 51.086 0.029 1
310 . 35 PRO CG C 28.164 0.018 1
311 . 35 PRO HA H 4.681 0.004 1
312 . 35 PRO HB2 H 2.151 0.006 2
313 . 35 PRO HB3 H 2.018 0.005 2
314 . 35 PRO HD2 H 3.731 0.007 2
315 . 35 PRO HD3 H 3.251 0.010 2
316 . 35 PRO HG2 H 2.191 0.010 2
317 . 35 PRO HG3 H 2.020 0.005 2
318 . 36 ASP CA C 57.203 0.045 1
319 . 36 ASP CB C 44.437 0.016 1
320 . 36 ASP H H 10.649 0.005 1
321 . 36 ASP HA H 4.584 0.008 1
322 . 36 ASP HB2 H 2.441 0.013 2
323 . 36 ASP N N 130.546 0.047 1
324 . 37 CYS CA C 52.755 0.088 1
325 . 37 CYS CB C 38.818 0.055 1
326 . 37 CYS H H 8.385 0.006 1
327 . 37 CYS HA H 5.235 0.014 1
328 . 37 CYS HB2 H 3.890 0.005 2
329 . 37 CYS HB3 H 2.787 0.004 2
330 . 37 CYS N N 117.859 0.042 1
331 . 38 ASP N N 126.492 0.058 1
332 . 38 ASP CA C 58.333 0.048 1
333 . 38 ASP CB C 40.613 0.032 1
334 . 38 ASP H H 9.802 0.005 1
335 . 38 ASP HA H 4.359 0.003 1
336 . 38 ASP HB2 H 2.800 0.007 2
337 . 39 ASP CA C 53.013 0.027 1
338 . 39 ASP CB C 41.038 0.051 1
339 . 39 ASP H H 7.998 0.010 1
340 . 39 ASP HA H 4.690 0.008 1
341 . 39 ASP HB2 H 3.226 0.008 2
342 . 39 ASP HB3 H 2.701 0.008 2
343 . 39 ASP N N 115.726 0.055 1
344 . 40 GLY CA C 46.733 0.052 1
345 . 40 GLY H H 8.058 0.008 1
346 . 40 GLY HA2 H 4.072 0.009 2
347 . 40 GLY HA3 H 3.612 0.009 2
348 . 40 GLY N N 105.955 0.039 1
349 . 41 ARG CA C 58.668 0.018 1
350 . 41 ARG CB C 28.985 0.049 1
351 . 41 ARG CD C 44.218 0.032 1
352 . 41 ARG CG C 26.363 0.036 1
353 . 41 ARG H H 7.659 0.007 1
354 . 41 ARG HA H 2.197 0.005 1
355 . 41 ARG HB2 H 1.147 0.013 2
356 . 41 ARG HB3 H 1.050 0.006 2
357 . 41 ARG HD2 H 3.300 0.016 2
358 . 41 ARG HD3 H 3.013 0.005 2
359 . 41 ARG HE H 7.569 0.010 1
360 . 41 ARG HG2 H 1.381 0.010 2
361 . 41 ARG HG3 H 1.173 0.009 2
362 . 41 ARG N N 118.792 0.031 1
363 . 41 ARG NE N 112.589 0.071 1
364 . 42 ASP CA C 55.130 0.026 1
365 . 42 ASP CB C 41.256 0.032 1
366 . 42 ASP H H 9.699 0.005 1
367 . 42 ASP HA H 4.170 0.005 1
368 . 42 ASP HB2 H 2.864 0.008 2
369 . 42 ASP HB3 H 2.764 0.006 2
370 . 42 ASP N N 115.861 0.040 1
371 . 43 GLU CA C 54.903 0.036 1
372 . 43 GLU CB C 29.992 0.044 1
373 . 43 GLU CG C 36.433 0.065 1
374 . 43 GLU H H 7.997 0.005 1
375 . 43 GLU HA H 4.797 0.006 1
376 . 43 GLU HB2 H 2.603 0.010 2
377 . 43 GLU HB3 H 1.738 0.006 2
378 . 43 GLU HG2 H 2.065 0.008 2
379 . 43 GLU HG3 H 1.926 0.006 2
380 . 43 GLU N N 118.289 0.031 1
381 . 44 TRP CA C 56.251 0.048 1
382 . 44 TRP CB C 30.521 0.034 1
383 . 44 TRP CD1 C 125.060 0.050 1
384 . 44 TRP CE3 C 120.993 0.082 1
385 . 44 TRP CH2 C 125.119 0.009 1
386 . 44 TRP CZ2 C 114.780 0.042 1
387 . 44 TRP CZ3 C 122.221 0.021 1
388 . 44 TRP H H 7.463 0.007 1
389 . 44 TRP HA H 4.992 0.008 1
390 . 44 TRP HB2 H 3.381 0.004 2
391 . 44 TRP HB3 H 3.294 0.008 2
392 . 44 TRP HD1 H 6.967 0.009 1
393 . 44 TRP HE1 H 9.911 0.006 1
394 . 44 TRP HE3 H 7.613 0.008 1
395 . 44 TRP HH2 H 7.231 0.008 1
396 . 44 TRP HZ2 H 7.486 0.006 1
397 . 44 TRP HZ3 H 7.152 0.006 1
398 . 44 TRP N N 122.639 0.025 1
399 . 44 TRP NE1 N 127.630 0.033 1
400 . 45 GLY CA C 47.305 0.038 1
401 . 45 GLY H H 8.885 0.006 1
402 . 45 GLY HA2 H 3.860 0.008 2
403 . 45 GLY N N 111.962 0.028 1
404 . 46 CYS CA C 55.659 0.027 1
405 . 46 CYS CB C 39.586 0.026 1
406 . 46 CYS H H 8.057 0.006 1
407 . 46 CYS HA H 4.627 0.006 1
408 . 46 CYS HB2 H 3.250 0.006 2
409 . 46 CYS HB3 H 2.866 0.007 2
410 . 46 CYS N N 118.825 0.035 1
411 . 47 GLY CA C 46.850 0.058 1
412 . 47 GLY H H 8.351 0.005 1
413 . 47 GLY HA2 H 3.803 0.005 2
414 . 47 GLY N N 116.743 0.034 1
stop_
save_