data_7429
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone 1H and 15N Chemical Shift Assignments for the Phosphotyrosine Binding
Domain of Insulin Receptor Substrate 1 in the Apo and Phosphopeptide Bound Forms
;
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Stone Martin J. .
2 Jarymowycz Virginia A. .
stop_
_BMRB_accession_number 7429
_BMRB_flat_file_name bmr7429.str
_Entry_type new
_Submission_date 2008-09-18
_Accession_date 2008-09-18
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 98
"15N chemical shifts" 98
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-03-03 update BMRB "complete entry citation"
2008-10-03 original author "original release"
stop_
loop_
_Related_BMRB_accession_number
_Relationship
15959 "Apo Form"
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_title
;
Remote Changes in Dynamics of the Phosphotyrosine-Binding Domain of Insulin Receptor Substrate-1 Induced by Phosphopeptide Binding
;
_Citation_status published
_Citation_type journal
_PubMed_ID 19053277
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Stone Martin J. .
2 Jarymowycz Virginia A. .
stop_
_Journal_abbreviation Biochemistry
_Journal_volume 47
_Journal_issue 50
_Journal_CSD ?
_Page_first 13371
_Page_last 13382
_Year 2008
loop_
_Keyword
"insulin receptor substrate-1"
"phosphotyrosine binding domain"
IRS-1
"PTB domain"
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name "Phosphotyrosine-Binding Domain of Insulin Receptor Substrate-1 Monomer complex with Interleukin-4 Receptor Phosphopeptide"
loop_
_Mol_system_component_name
_Mol_label
Monomer $Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1
Peptide $Interleukin-4_Receptor_Phosphopeptide
stop_
_System_physical_state native
_System_oligomer_state complex
_System_paramagnetic no
save_
########################
# Monomeric polymers #
########################
save_Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1
_Mol_thiol_state "all free"
##############################
# Polymer residue sequence #
##############################
_Residue_count 111
_Mol_residue_sequence
;
GPAFKEVWQVILKPKGLGQT
KNLIGIYRLCLTSKTISFVK
LNSEAAAVVLQLMNIRRCGH
SENFFFIEVGRSAVTGPGEF
WMQVDDSVVAQNMHETILEA
MRAMSDEFRPR
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 157 GLY 2 158 PRO 3 159 ALA 4 160 PHE 5 161 LYS
6 162 GLU 7 163 VAL 8 164 TRP 9 165 GLN 10 166 VAL
11 167 ILE 12 168 LEU 13 169 LYS 14 170 PRO 15 171 LYS
16 172 GLY 17 173 LEU 18 174 GLY 19 175 GLN 20 176 THR
21 177 LYS 22 178 ASN 23 179 LEU 24 180 ILE 25 181 GLY
26 182 ILE 27 183 TYR 28 184 ARG 29 185 LEU 30 186 CYS
31 187 LEU 32 188 THR 33 189 SER 34 190 LYS 35 191 THR
36 192 ILE 37 193 SER 38 194 PHE 39 195 VAL 40 196 LYS
41 197 LEU 42 198 ASN 43 199 SER 44 200 GLU 45 201 ALA
46 202 ALA 47 203 ALA 48 204 VAL 49 205 VAL 50 206 LEU
51 207 GLN 52 208 LEU 53 209 MET 54 210 ASN 55 211 ILE
56 212 ARG 57 213 ARG 58 214 CYS 59 215 GLY 60 216 HIS
61 217 SER 62 218 GLU 63 219 ASN 64 220 PHE 65 221 PHE
66 222 PHE 67 223 ILE 68 224 GLU 69 225 VAL 70 226 GLY
71 227 ARG 72 228 SER 73 229 ALA 74 230 VAL 75 231 THR
76 232 GLY 77 233 PRO 78 234 GLY 79 235 GLU 80 236 PHE
81 237 TRP 82 238 MET 83 239 GLN 84 240 VAL 85 241 ASP
86 242 ASP 87 243 SER 88 244 VAL 89 245 VAL 90 246 ALA
91 247 GLN 92 248 ASN 93 249 MET 94 250 HIS 95 251 GLU
96 252 THR 97 253 ILE 98 254 LEU 99 255 GLU 100 256 ALA
101 257 MET 102 258 ARG 103 259 ALA 104 260 MET 105 261 SER
106 262 ASP 107 263 GLU 108 264 PHE 109 265 ARG 110 266 PRO
111 267 ARG
stop_
_Sequence_homology_query_date 2009-03-03
_Sequence_homology_query_revised_last_date 2008-12-26
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 1IRS "Irs-1 Ptb Domain Complexed With A Il-4 Receptor Phosphopeptide, Nmr, Minimized Average Structure" 99.10 112 100.00 100.00 3.14e-59
PDB 1QQG "Crystal Structure Of The Ph-Ptb Targeting Region Of Irs-1" 100.00 264 100.00 100.00 3.38e-60
DBJ BAA11026 "IRS-1(COS) [Chlorocebus aethiops]" 100.00 1251 100.00 100.00 5.30e-62
DBJ BAC32308 "unnamed protein product [Mus musculus]" 100.00 1231 100.00 100.00 5.30e-62
DBJ BAE24991 "unnamed protein product [Mus musculus]" 100.00 1231 100.00 100.00 5.30e-62
DBJ BAG10207 "insulin receptor substrate 1 [synthetic construct]" 100.00 1242 100.00 100.00 5.30e-62
EMBL CAA41264 "IRS-1 [Rattus norvegicus]" 100.00 1235 100.00 100.00 5.30e-62
EMBL CAA49378 "insulin receptor substrate 1 [Mus musculus]" 100.00 1231 100.00 100.00 5.30e-62
GenBank AAA39335 "insulin receptor substrate-1" 100.00 1233 100.00 100.00 5.30e-62
GenBank AAB21608 "hIRS-1 [Homo sapiens]" 100.00 1243 100.00 100.00 5.30e-62
GenBank AAB27175 "insulin receptor substrate-1; IRS-1 [Homo sapiens]" 100.00 1242 100.00 100.00 5.30e-62
GenBank AAH53895 "Insulin receptor substrate 1 [Homo sapiens]" 100.00 1242 100.00 100.00 5.30e-62
GenBank AAI56077 "Insulin receptor substrate 1 [synthetic construct]" 100.00 1231 100.00 100.00 5.30e-62
PRF 1712323A "insulin receptor" 100.00 1235 100.00 100.00 5.30e-62
REF NP_005535 "insulin receptor substrate 1 [Homo sapiens]" 100.00 1242 100.00 100.00 5.30e-62
REF NP_034700 "insulin receptor substrate 1 [Mus musculus]" 100.00 1231 100.00 100.00 5.30e-62
REF NP_037101 "insulin receptor substrate 1 [Rattus norvegicus]" 100.00 1235 100.00 100.00 5.30e-62
REF XP_001109882 "PREDICTED: similar to insulin receptor substrate 1 [Macaca mulatta]" 100.00 1252 100.00 100.00 5.30e-62
REF XP_001134743 "PREDICTED: insulin receptor substrate 1 isoform 1 [Pan troglodytes]" 100.00 1223 100.00 100.00 5.30e-62
SWISS-PROT P35568 "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" 100.00 1242 100.00 100.00 5.30e-62
SWISS-PROT P35569 "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" 100.00 1233 100.00 100.00 5.30e-62
SWISS-PROT P35570 "RecName: Full=Insulin receptor substrate 1; Short=IRS-1; AltName: Full=pp185" 100.00 1235 100.00 100.00 5.30e-62
SWISS-PROT Q28224 "RecName: Full=Insulin receptor substrate 1; Short=IRS-1" 100.00 1251 100.00 100.00 5.30e-62
stop_
save_
save_Interleukin-4_Receptor_Phosphopeptide
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Interleukin-4_Receptor_Phosphopeptide
_Mol_thiol_state "not present"
_Residue_count 111
_Mol_residue_sequence
;
LVIAGNPAXRS
;
loop_
_Residue_seq_code
_Residue_label
1 LEU 2 VAL 3 ILE 4 ALA 5 GLY
6 ASN 7 PRO 8 ALA 9 PTR 10 ARG
11 SER
stop_
save_
######################
# Polymer residues #
######################
save_chem_comp_PTR
_Saveframe_category polymer_residue
_Mol_type "L-PEPTIDE LINKING"
_Name_common O-PHOSPHOTYROSINE
_BMRB_code ?
_PDB_code PTR
_Standard_residue_derivative PTR
_Mol_empirical_formula "C9 H12 N O6 P"
_Molecular_mass 261.168
_Mol_paramagnetic ?
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Feb 15 20:35:21 2008
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
N N N N 0 ? ?
CA CA C S 0 ? ?
C C C N 0 ? ?
O O O N 0 ? ?
OXT OXT O N 0 ? ?
CB CB C N 0 ? ?
CG CG C N 0 ? ?
CD1 CD1 C N 0 ? ?
CD2 CD2 C N 0 ? ?
CE1 CE1 C N 0 ? ?
CE2 CE2 C N 0 ? ?
CZ CZ C N 0 ? ?
OH OH O N 0 ? ?
P P P N 0 ? ?
O1P O1P O N 0 ? ?
O2P O2P O N 0 ? ?
O3P O3P O N 0 ? ?
H H H N 0 ? ?
HN2 HN2 H N 0 ? ?
HA HA H N 0 ? ?
HXT HXT H N 0 ? ?
HB2 HB2 H N 0 ? ?
HB3 HB3 H N 0 ? ?
HD1 HD1 H N 0 ? ?
HD2 HD2 H N 0 ? ?
HE1 HE1 H N 0 ? ?
HE2 HE2 H N 0 ? ?
HO2P HO2P H N 0 ? ?
HO3P HO3P H N 0 ? ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING N CA N CA
SING N H N H
SING N HN2 N HN2
SING CA C CA C
SING CA CB CA CB
SING CA HA CA HA
DOUB C O C O
SING C OXT C OXT
SING OXT HXT OXT HXT
SING CB CG CB CG
SING CB HB2 CB HB2
SING CB HB3 CB HB3
DOUB CG CD1 CG CD1
SING CG CD2 CG CD2
SING CD1 CE1 CD1 CE1
SING CD1 HD1 CD1 HD1
DOUB CD2 CE2 CD2 CE2
SING CD2 HD2 CD2 HD2
DOUB CE1 CZ CE1 CZ
SING CE1 HE1 CE1 HE1
SING CE2 CZ CE2 CZ
SING CE2 HE2 CE2 HE2
SING CZ OH CZ OH
SING OH P OH P
DOUB P O1P P O1P
SING P O2P P O2P
SING P O3P P O3P
SING O2P HO2P O2P HO2P
SING O3P HO3P O3P HO3P
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-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_name
$Phosphotyrosine-Binding_Domain_of_Insulin_Receptor_Substrate-1 "chemical synthesis" "E. coli" Escherichia coli ? pET30a
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_PTB_Domain_of_IRS-1_Bound_State
_Saveframe_category sample
_Sample_type solution
_Details
;
A complex between IRS-PTB and the IL-4 receptor peptide was formed by addition of peptide under the same buffer conditions to the protein to obtain a stoichiometery of 1:1.5 (protein:peptide).
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
"Phosphotyrosine-Binding Domain of Insulin Receptor Substrate-1" 200 uM [U-15N]
stop_
save_
############################
# Computer software used #
############################
save_Felix
_Saveframe_category software
_Name Felix
loop_
_Vendor
_Address
_Electronic_address
"Accelrys Software Inc." ? ?
stop_
loop_
_Task
processing
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
save_
#############################
# NMR applied experiments #
#############################
save_3D_HNCACB_1
_Saveframe_category NMR_applied_experiment
_Experiment_name "3D HNCACB"
_Sample_label $PTB_Domain_of_IRS-1_Bound_State
save_
save_3D_CBCA(CO)NH_2
_Saveframe_category NMR_applied_experiment
_Experiment_name "3D CBCA(CO)NH"
_Sample_label $PTB_Domain_of_IRS-1_Bound_State
save_
#######################
# Sample conditions #
#######################
save_PTB_Domain_of_IRS-1_Bound_Sample_Conditions
_Saveframe_category sample_conditions
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 303 ? K
pH 6.5 ? pH
"ionic strength" 50 ? mM
pressure 1 ? atm
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Saveframe_category chemical_shift_reference
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 external direct ? ? ? 1.0
DSS N 15 "methyl protons" ppm 0 external indirect ? ? ? 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# Index Value Definition #
# #
# 1 Unique (geminal atoms and geminal methyl #
# groups with identical chemical shifts #
# are assumed to be assigned to #
# stereospecific atoms) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups #
# 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) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_PTB_Domain_of_IRS-1_Bound
_Saveframe_category assigned_chemical_shifts
loop_
_Sample_label
$PTB_Domain_of_IRS-1_Bound_State
stop_
_Sample_conditions_label $PTB_Domain_of_IRS-1_Bound_Sample_Conditions
_Chem_shift_reference_set_label $chem_shift_reference_1
_Mol_system_component_name Monomer
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
1 159 3 ALA H H 8.165 0.002 1
2 159 3 ALA N N 123.601 0.059 1
3 160 4 PHE H H 7.793 0.002 1
4 160 4 PHE N N 118.585 0.059 1
5 161 5 LYS H H 8.548 0.002 1
6 161 5 LYS N N 123.983 0.059 1
7 162 6 GLU H H 7.606 0.002 1
8 162 6 GLU N N 118.002 0.059 1
9 163 7 VAL H H 7.774 0.002 1
10 163 7 VAL N N 120.341 0.059 1
11 164 8 TRP H H 8.874 0.002 1
12 164 8 TRP HE1 H 9.988 0.002 1
13 164 8 TRP N N 125.035 0.059 1
14 164 8 TRP NE1 N 129.178 0.059 1
15 165 9 GLN H H 9.038 0.002 1
16 165 9 GLN N N 123.886 0.059 1
17 166 10 VAL H H 9.346 0.002 1
18 166 10 VAL N N 119.264 0.059 1
19 167 11 ILE H H 8.649 0.002 1
20 167 11 ILE N N 119.719 0.059 1
21 168 12 LEU H H 9.51 0.002 1
22 168 12 LEU N N 130.5 0.059 1
23 169 13 LYS H H 8.716 0.002 1
24 169 13 LYS N N 123.46 0.059 1
25 171 15 LYS H H 8.006 0.002 1
26 171 15 LYS N N 122.099 0.059 1
27 173 17 LEU H H 9.327 0.002 1
28 173 17 LEU N N 127.181 0.059 1
29 174 18 GLY H H 7.902 0.002 1
30 174 18 GLY N N 105.943 0.059 1
31 175 19 GLN H H 7.255 0.002 1
32 175 19 GLN N N 117.487 0.059 1
33 176 20 THR H H 7.967 0.002 1
34 176 20 THR N N 112.516 0.059 1
35 177 21 LYS H H 8.321 0.002 1
36 177 21 LYS N N 116.637 0.059 1
37 178 22 ASN H H 7.55 0.002 1
38 178 22 ASN N N 117.811 0.059 1
39 179 23 LEU H H 8.618 0.002 1
40 179 23 LEU N N 123.784 0.059 1
41 180 24 ILE H H 7.17 0.002 1
42 180 24 ILE N N 114.877 0.059 1
43 181 25 GLY H H 8.514 0.002 1
44 181 25 GLY N N 112.853 0.059 1
45 182 26 ILE H H 8.392 0.002 1
46 182 26 ILE N N 121.609 0.059 1
47 183 27 TYR H H 9.281 0.002 1
48 183 27 TYR N N 127.774 0.059 1
49 184 28 ARG H H 9.443 0.002 1
50 184 28 ARG N N 118.441 0.059 1
51 185 29 LEU H H 9.572 0.002 1
52 185 29 LEU N N 128.335 0.059 1
53 186 30 CYS H H 8.913 0.002 1
54 186 30 CYS N N 123.947 0.059 1
55 187 31 LEU H H 9.135 0.002 1
56 187 31 LEU N N 131.125 0.059 1
57 188 32 THR H H 8.983 0.002 1
58 188 32 THR N N 118.289 0.059 1
59 189 33 SER H H 8.479 0.002 1
60 189 33 SER N N 109.475 0.059 1
61 191 35 THR H H 7.789 0.002 1
62 191 35 THR N N 110.458 0.059 1
63 192 36 ILE H H 8.927 0.002 1
64 192 36 ILE N N 116.975 0.059 1
65 193 37 SER H H 8.678 0.002 1
66 193 37 SER N N 118.913 0.059 1
67 194 38 PHE H H 8.385 0.002 1
68 194 38 PHE N N 120.757 0.059 1
69 195 39 VAL H H 9.397 0.002 1
70 195 39 VAL N N 125.299 0.059 1
71 196 40 LYS H H 9.53 0.002 1
72 196 40 LYS N N 131.684 0.059 1
73 197 41 LEU H H 7.883 0.002 1
74 197 41 LEU N N 123.345 0.059 1
75 198 42 ASN H H 8.569 0.002 1
76 198 42 ASN N N 116.111 0.059 1
77 199 43 SER H H 7.665 0.002 1
78 199 43 SER N N 113.267 0.059 1
79 200 44 GLU H H 8.441 0.002 1
80 200 44 GLU N N 120.664 0.059 1
81 201 45 ALA H H 7.978 0.002 1
82 201 45 ALA N N 122.765 0.059 1
83 202 46 ALA H H 8.671 0.002 1
84 202 46 ALA N N 124.187 0.059 1
85 203 47 ALA H H 9.005 0.002 1
86 203 47 ALA N N 126.766 0.059 1
87 204 48 VAL H H 7.386 0.002 1
88 204 48 VAL N N 113.967 0.059 1
89 205 49 VAL H H 8.362 0.002 1
90 205 49 VAL N N 128.1 0.059 1
91 206 50 LEU H H 9.414 0.002 1
92 206 50 LEU N N 126.604 0.059 1
93 207 51 GLN H H 9.081 0.002 1
94 207 51 GLN N N 122.582 0.059 1
95 208 52 LEU H H 8.503 0.002 1
96 208 52 LEU N N 125.236 0.059 1
97 209 53 MET H H 8.352 0.002 1
98 209 53 MET N N 112.719 0.059 1
99 211 55 ILE H H 7.62 0.002 1
100 211 55 ILE N N 120.749 0.059 1
101 212 56 ARG H H 9.277 0.002 1
102 212 56 ARG N N 127.6 0.059 1
103 216 60 HIS H H 8.014 0.002 1
104 216 60 HIS N N 112.643 0.059 1
105 217 61 SER H H 8.741 0.002 1
106 217 61 SER N N 115.671 0.059 1
107 218 62 GLU H H 9.31 0.002 1
108 218 62 GLU N N 125.588 0.059 1
109 219 63 ASN H H 8.545 0.002 1
110 219 63 ASN N N 118.682 0.059 1
111 220 64 PHE H H 8.63 0.002 1
112 220 64 PHE N N 116.88 0.059 1
113 221 65 PHE H H 9.359 0.002 1
114 221 65 PHE N N 122.612 0.059 1
115 225 69 VAL H H 9.718 0.002 1
116 225 69 VAL N N 122.991 0.059 1
117 227 71 ARG H H 8.363 0.002 1
118 227 71 ARG N N 114.906 0.059 1
119 228 72 SER H H 8.31 0.002 1
120 228 72 SER N N 112.637 0.059 1
121 229 73 ALA H H 7.395 0.002 1
122 229 73 ALA N N 122.534 0.059 1
123 230 74 VAL H H 8.926 0.002 1
124 230 74 VAL N N 122.738 0.059 1
125 231 75 THR H H 6.89 0.002 1
126 231 75 THR N N 106.556 0.059 1
127 232 76 GLY H H 7.645 0.002 1
128 232 76 GLY N N 109.518 0.059 1
129 234 78 GLY H H 8.005 0.002 1
130 234 78 GLY N N 107.145 0.059 1
131 235 79 GLU H H 8.631 0.002 1
132 235 79 GLU N N 116.647 0.059 1
133 236 80 PHE H H 8.962 0.002 1
134 236 80 PHE N N 117.84 0.059 1
135 237 81 TRP H H 10.224 0.002 1
136 237 81 TRP HE1 H 10.694 0.002 1
137 237 81 TRP N N 122.919 0.059 1
138 237 81 TRP NE1 N 132.301 0.059 1
139 238 82 MET H H 9.502 0.002 1
140 238 82 MET N N 119.981 0.059 1
141 239 83 GLN H H 9.542 0.002 1
142 239 83 GLN N N 124.055 0.059 1
143 240 84 VAL H H 8.633 0.002 1
144 240 84 VAL N N 118.925 0.059 1
145 241 85 ASP H H 8.499 0.002 1
146 241 85 ASP N N 116.784 0.059 1
147 242 86 ASP H H 7.194 0.002 1
148 242 86 ASP N N 109.402 0.059 1
149 243 87 SER H H 8.591 0.002 1
150 243 87 SER N N 114.171 0.059 1
151 244 88 VAL H H 8.105 0.002 1
152 244 88 VAL N N 126.566 0.059 1
153 245 89 VAL H H 8.376 0.002 1
154 245 89 VAL N N 121.837 0.059 1
155 246 90 ALA H H 7.186 0.002 1
156 246 90 ALA N N 120.765 0.059 1
157 247 91 GLN H H 7.527 0.002 1
158 247 91 GLN N N 115.705 0.059 1
159 248 92 ASN H H 8.24 0.002 1
160 248 92 ASN N N 119.299 0.059 1
161 249 93 MET H H 8.452 0.002 1
162 249 93 MET N N 123.394 0.059 1
163 250 94 HIS H H 7.092 0.002 1
164 250 94 HIS N N 118.198 0.059 1
165 251 95 GLU H H 8.32 0.002 1
166 251 95 GLU N N 116.633 0.059 1
167 252 96 THR H H 8.271 0.002 1
168 252 96 THR N N 116.703 0.059 1
169 253 97 ILE H H 8.507 0.002 1
170 253 97 ILE N N 124.632 0.059 1
171 254 98 LEU H H 8.435 0.002 1
172 254 98 LEU N N 121.252 0.059 1
173 255 99 GLU H H 7.817 0.002 1
174 255 99 GLU N N 119.068 0.059 1
175 256 100 ALA H H 7.652 0.002 1
176 256 100 ALA N N 123.162 0.059 1
177 257 101 MET H H 8.561 0.002 1
178 257 101 MET N N 118.708 0.059 1
179 258 102 ARG H H 8.322 0.002 1
180 258 102 ARG N N 121.182 0.059 1
181 259 103 ALA H H 8.106 0.002 1
182 259 103 ALA N N 121.358 0.059 1
183 260 104 MET H H 7.473 0.002 1
184 260 104 MET N N 116.443 0.059 1
185 261 105 SER H H 7.902 0.002 1
186 261 105 SER N N 114.801 0.059 1
187 262 106 ASP H H 8.115 0.002 1
188 262 106 ASP N N 121.994 0.059 1
189 263 107 GLU H H 7.876 0.002 1
190 263 107 GLU N N 119.508 0.059 1
191 264 108 PHE H H 7.852 0.002 1
192 264 108 PHE N N 118.49 0.059 1
193 265 109 ARG H H 7.702 0.002 1
194 265 109 ARG N N 123.552 0.059 1
195 267 111 ARG H H 7.986 0.002 1
196 267 111 ARG N N 126.749 0.059 1
stop_
save_