data_7150
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Chemical Shift Assignments for the talin F3 sub-domain in complex with a chimeric beta3-integrin/PIPKIg peptide
;
_BMRB_accession_number 7150
_BMRB_flat_file_name bmr7150.str
_Entry_type original
_Submission_date 2006-06-06
_Accession_date 2006-06-06
_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 Wegener Kate L. .
2 Partridge Anthony W. .
3 Han Jaewon . .
4 Bobkov Andrey . .
5 Liddington Robert C. .
6 Ginsberg Mark H. .
7 Campbell Iain D. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 839
"13C chemical shifts" 283
"15N chemical shifts" 108
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-03-06 original author .
stop_
_Original_release_date 2007-03-06
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Structural basis of integrin activation by talin'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 17218263
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Wegener Kate L. .
2 Partridge Anthony W. .
3 Han Jaewon . .
4 Pickford A. R. .
5 Liddington Robert C. .
6 Ginsberg Mark H. .
7 Campbell Iain D. .
stop_
_Journal_abbreviation Cell
_Journal_volume 128
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 171
_Page_last 182
_Year 2007
_Details .
loop_
_Keyword
NMR
stop_
save_
#######################################
# Cited references within the entry #
#######################################
save_referencing_citation
_Saveframe_category citation
_Citation_full .
_Citation_title '1H, 13C and 15N chemical shift referencing in biomolecular NMR.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 8589602
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Wishart D S .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_name_full .
_Journal_volume 6
_Journal_issue 2
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 135
_Page_last 140
_Year 1995
_Details .
save_
save_nmr_experiment
_Saveframe_category citation
_Citation_full .
_Citation_title 'Optimized set of two-dimensional experiments for fast sequential assignment, secondary structure determination, and backbone fold validation of 13C/15N-labelled proteins.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 12878841
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Bersch B . .
stop_
_Journal_abbreviation 'J. Biomol. NMR'
_Journal_name_full .
_Journal_volume 27
_Journal_issue 1
_Journal_CSD .
_Book_title .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_publisher .
_Book_publisher_city .
_Book_ISBN .
_Conference_title .
_Conference_site .
_Conference_state_province .
_Conference_country .
_Conference_start_date .
_Conference_end_date .
_Conference_abstract_number .
_Thesis_institution .
_Thesis_institution_city .
_Thesis_institution_country .
_Page_first 57
_Page_last 67
_Year 2003
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Talin/integrin/PIPKIg chimera complex'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'Talin F3 domain' $Talin_F3
'Integrin/PIPKIg peptide' $Chimeric_peptide
stop_
_System_molecular_weight 15785.10
_System_physical_state native
_System_oligomer_state 'protein-protein complex'
_System_paramagnetic no
_System_thiol_state 'not present'
_Database_query_date .
_Details 'Talin F3 domain in complex with a chimeric beta3-integrin/PIPKIg complex'
save_
########################
# Monomeric polymers #
########################
save_Talin_F3
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Talin_F3
_Molecular_mass 11649.3
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 102
_Mol_residue_sequence
;
GPLGSGVSFFLVKEKMKGKN
KLVPRLLGITKESVMRVDEK
TKEVIQEWSLTNIKRWAASP
KSFTLDFGDYQDGYYSVQTT
EGEQIAQLIAGYIDIILKKK
KS
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 304 GLY 2 305 PRO 3 306 LEU 4 307 GLY 5 308 SER
6 309 GLY 7 310 VAL 8 311 SER 9 312 PHE 10 313 PHE
11 314 LEU 12 315 VAL 13 316 LYS 14 317 GLU 15 318 LYS
16 319 MET 17 320 LYS 18 321 GLY 19 322 LYS 20 323 ASN
21 324 LYS 22 325 LEU 23 326 VAL 24 327 PRO 25 328 ARG
26 329 LEU 27 330 LEU 28 331 GLY 29 332 ILE 30 333 THR
31 334 LYS 32 335 GLU 33 336 SER 34 337 VAL 35 338 MET
36 339 ARG 37 340 VAL 38 341 ASP 39 342 GLU 40 343 LYS
41 344 THR 42 345 LYS 43 346 GLU 44 347 VAL 45 348 ILE
46 349 GLN 47 350 GLU 48 351 TRP 49 352 SER 50 353 LEU
51 354 THR 52 355 ASN 53 356 ILE 54 357 LYS 55 358 ARG
56 359 TRP 57 360 ALA 58 361 ALA 59 362 SER 60 363 PRO
61 364 LYS 62 365 SER 63 366 PHE 64 367 THR 65 368 LEU
66 369 ASP 67 370 PHE 68 371 GLY 69 372 ASP 70 373 TYR
71 374 GLN 72 375 ASP 73 376 GLY 74 377 TYR 75 378 TYR
76 379 SER 77 380 VAL 78 381 GLN 79 382 THR 80 383 THR
81 384 GLU 82 385 GLY 83 386 GLU 84 387 GLN 85 388 ILE
86 389 ALA 87 390 GLN 88 391 LEU 89 392 ILE 90 393 ALA
91 394 GLY 92 395 TYR 93 396 ILE 94 397 ASP 95 398 ILE
96 399 ILE 97 400 LEU 98 401 LYS 99 402 LYS 100 403 LYS
101 404 LYS 102 405 SER
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-28
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 1KUP "Solution Structure Of The Membrane Proximal Regions Of Alpha-Iib And Beta-3 Integrins" 70.59 25 100.00 100.00 1.33e-06
PDB 1KUZ "Solution Structure Of The Membrane Proximal Regions Of Alpha-Iib And Beta-3 Integrins" 70.59 25 100.00 100.00 1.33e-06
PDB 2H7D "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide" 100.00 34 100.00 100.00 1.14e-13
PDB 2H7E "Solution Structure Of The Talin F3 Domain In Complex With A Chimeric Beta3 Integrin-Pip Kinase Peptide- Minimized Average Struc" 100.00 34 100.00 100.00 1.14e-13
GB AAA36121 "integrin beta-3, partial [Homo sapiens]" 70.59 74 100.00 100.00 1.06e-06
GB AAB71380 "platelet membrane glycoprotein IIIa beta subunit [Homo sapiens]" 70.59 784 100.00 100.00 3.16e-07
GB AHN82190 "integrin beta-3 [Myodes glareolus]" 70.59 787 100.00 100.00 3.16e-07
GB EAW57680 "integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61), isoform CRA_b [Homo sapiens]" 70.59 774 100.00 100.00 3.14e-07
GB EAW57681 "integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61), isoform CRA_c [Homo sapiens]" 70.59 780 100.00 100.00 3.15e-07
REF XP_005070100 "PREDICTED: integrin beta-3 isoform X2 [Mesocricetus auratus]" 70.59 787 100.00 100.00 3.16e-07
REF XP_005369467 "PREDICTED: integrin beta-3 [Microtus ochrogaster]" 70.59 787 100.00 100.00 3.16e-07
REF XP_005402305 "PREDICTED: integrin beta-3 [Chinchilla lanigera]" 70.59 806 100.00 100.00 3.19e-07
REF XP_006970595 "PREDICTED: integrin beta-3 [Peromyscus maniculatus bairdii]" 70.59 787 100.00 100.00 3.16e-07
REF XP_007633842 "PREDICTED: integrin beta-3 [Cricetulus griseus]" 70.59 645 100.00 100.00 2.88e-07
stop_
save_
save_Chimeric_peptide
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Beta3integrin-PIPKIg chimeric peptide'
_Molecular_mass 4269.8
_Mol_thiol_state 'not present'
_Details .
_Residue_count 34
_Mol_residue_sequence
;
KLLITIHDRKEFAKFEEERA
RAKWVXSPLHYSAR
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 716 LYS 2 717 LEU 3 718 LEU 4 719 ILE 5 720 THR
6 721 ILE 7 722 HIS 8 723 ASP 9 724 ARG 10 725 LYS
11 726 GLU 12 727 PHE 13 728 ALA 14 729 LYS 15 730 PHE
16 731 GLU 17 732 GLU 18 733 GLU 19 734 ARG 20 735 ALA
21 736 ARG 22 737 ALA 23 738 LYS 24 739 TRP 25 740 VAL
26 741 PTR 27 742 SER 28 743 PRO 29 744 LEU 30 745 HIS
31 746 TYR 32 747 SER 33 748 ALA 34 749 ARG
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
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 .
_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 3 16:56:44 2012
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
N N N . 0 . ?
CA CA C . 0 . ?
C C C . 0 . ?
O O O . 0 . ?
OXT OXT O . 0 . ?
CB CB C . 0 . ?
CG CG C . 0 . ?
CD1 CD1 C . 0 . ?
CD2 CD2 C . 0 . ?
CE1 CE1 C . 0 . ?
CE2 CE2 C . 0 . ?
CZ CZ C . 0 . ?
OH OH O . 0 . ?
P P P . 0 . ?
O1P O1P O . 0 . ?
O2P O2P O . 0 . ?
O3P O3P O . 0 . ?
H H H . 0 . ?
HN2 HN2 H . 0 . ?
HA HA H . 0 . ?
HXT HXT H . 0 . ?
HB2 HB2 H . 0 . ?
HB3 HB3 H . 0 . ?
HD1 HD1 H . 0 . ?
HD2 HD2 H . 0 . ?
HE1 HE1 H . 0 . ?
HE2 HE2 H . 0 . ?
HO2P HO2P H . 0 . ?
HO3P HO3P H . 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 ? ?
SING N H ? ?
SING N HN2 ? ?
SING CA C ? ?
SING CA CB ? ?
SING CA HA ? ?
DOUB C O ? ?
SING C OXT ? ?
SING OXT HXT ? ?
SING CB CG ? ?
SING CB HB2 ? ?
SING CB HB3 ? ?
DOUB CG CD1 ? ?
SING CG CD2 ? ?
SING CD1 CE1 ? ?
SING CD1 HD1 ? ?
DOUB CD2 CE2 ? ?
SING CD2 HD2 ? ?
DOUB CE1 CZ ? ?
SING CE1 HE1 ? ?
SING CE2 CZ ? ?
SING CE2 HE2 ? ?
SING CZ OH ? ?
SING OH P ? ?
DOUB P O1P ? ?
SING P O2P ? ?
SING P O3P ? ?
SING O2P HO2P ? ?
SING 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
_Details
$Talin_F3 Chicken 9031 Eukaryota Metazoa . . .
$Chimeric_peptide . . . . . .
;
The chimeric peptide was synthesised commercially. It's sequence is a
combination of residues from ITB3_HUMAN (UNP P05106 - Homo sapiens) and
PI51C_MOUS (UNP O70161 - Mus musculus) i.e. the first 24 residues of the
peptide correspond to residues 742-765 from ITB3_HUMAN and the remaining 10
residues are residues 643-652 from PI51C_MOUS. The combined sequence of the
synthesised peptide is not found naturally.
;
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_type
_Vector_name
$Talin_F3 'recombinant technology' 'E. coli' . . . plasmid pGex-6P2
$Chimeric_peptide 'chemical synthesis' . . . . . .
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
$Talin_F3 1.2 mM [U-15N]
$Chimeric_peptide 1.4 mM .
'phosphate buffer' 50 mM .
'Sodium Chloride' 100 mM .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Talin_F3 1.9 mM '[U-15N; U-2H]'
$Chimeric_peptide 1.5 mM .
'phosphate buffer' 50 mM .
'Sodium Chloride' 100 mM .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Talin_F3 1.1 mM '[U-15N; U-13C]'
$Chimeric_peptide 1.1 mM .
'phosphate buffer' 50 mM .
'Sodium Chloride' 100 mM .
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Saveframe_category software
_Name SPARKY
_Version 3.110
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_600MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Home-built
_Model .
_Field_strength 600MHz
_Details .
save_
save_750MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Home-built
_Model .
_Field_strength 750MHz
_Details .
save_
save_500MHz_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Home-built
_Model .
_Field_strength 500MHz
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_1H15N_NOESY-HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '1H15N NOESY-HSQC'
_Sample_label .
save_
save_2D_NOESY_(1H-1H)_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D NOESY (1H-1H)'
_Sample_label .
save_
save_2D_TOCSY_(1H-1H)_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D TOCSY (1H-1H)'
_Sample_label .
save_
save_2D_DQF-COSY_(1H-1H)_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D DQF-COSY (1H-1H)'
_Sample_label .
save_
save_(1H-15N-13C)_2D_HNCO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '(1H-15N-13C) 2D HNCO'
_Sample_label .
save_
save_(1H-15N-13C)_2D_HNCA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '(1H-15N-13C) 2D HNCA'
_Sample_label .
save_
save_(1H-15N-13C)_2D_HNCOCA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '(1H-15N-13C) 2D HNCOCA'
_Sample_label .
save_
save_(1H-15N-13C)_2D_HNCOCACB_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '(1H-15N-13C) 2D HNCOCACB'
_Sample_label .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details '50mM phosphate buffer, 100mM NaCl'
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 100 1 mM
pH 6.1 0.01 pH
temperature 298 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_referencing
_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
DSS C 13 protons ppm 0 . indirect . . . 0.251449530 $referencing_citation
H2O H 1 protons ppm 4.766 internal direct . . . 1.0 .
DSS N 15 protons ppm 0 . indirect . . . 0.101329118 $referencing_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_chem_shift_list_1_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_1
stop_
loop_
_Experiment_label
'1H15N NOESY-HSQC'
'2D NOESY (1H-1H)'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name 'Talin F3 domain'
_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
1 305 2 PRO HA H 4.43 0.02 1
2 305 2 PRO HB2 H 2.27 0.02 1
3 305 2 PRO HB3 H 2.27 0.02 1
4 305 2 PRO HG2 H 1.91 0.02 1
5 305 2 PRO HG3 H 1.91 0.02 1
6 305 2 PRO HD2 H 3.53 0.02 1
7 305 2 PRO HD3 H 3.94 0.02 1
8 305 2 PRO C C 177.03 0.1 1
9 305 2 PRO CA C 63.1 0.1 1
10 305 2 PRO CB C 32.4 0.1 1
11 306 3 LEU H H 8.51 0.02 1
12 306 3 LEU HA H 4.28 0.02 1
13 306 3 LEU HB2 H 1.69 0.02 1
14 306 3 LEU HB3 H 1.69 0.02 1
15 306 3 LEU HG H 1.56 0.02 1
16 306 3 LEU HD1 H 0.9 0.02 1
17 306 3 LEU HD2 H 0.83 0.02 1
18 306 3 LEU C C 177.81 0.1 1
19 306 3 LEU CA C 55.37 0.1 1
20 306 3 LEU CB C 42.42 0.1 1
21 306 3 LEU N N 122.04 0.1 1
22 307 4 GLY H H 8.33 0.02 1
23 307 4 GLY HA2 H 3.96 0.02 1
24 307 4 GLY HA3 H 3.96 0.02 1
25 307 4 GLY C C 174.15 0.1 1
26 307 4 GLY CA C 45.37 0.1 1
27 307 4 GLY N N 109.61 0.1 1
28 308 5 SER H H 8.28 0.02 1
29 308 5 SER HA H 4.43 0.02 1
30 308 5 SER HB2 H 3.87 0.02 1
31 308 5 SER HB3 H 3.87 0.02 1
32 308 5 SER C C 175.27 0.1 1
33 308 5 SER CA C 58.62 0.1 1
34 308 5 SER CB C 64.03 0.1 1
35 308 5 SER N N 115.65 0.1 1
36 309 6 GLY H H 8.61 0.02 1
37 309 6 GLY HA2 H 3.9 0.02 1
38 309 6 GLY HA3 H 3.9 0.02 1
39 309 6 GLY C C 173.61 0.1 1
40 309 6 GLY CA C 45.7 0.1 1
41 309 6 GLY N N 110.61 0.1 1
42 310 7 VAL H H 7.71 0.02 1
43 310 7 VAL HA H 4.1 0.02 1
44 310 7 VAL HB H 1.56 0.02 1
45 310 7 VAL HG1 H 0.07 0.02 1
46 310 7 VAL HG2 H 0.44 0.02 1
47 310 7 VAL C C 175.12 0.1 1
48 310 7 VAL CA C 60.92 0.1 1
49 310 7 VAL CB C 33.44 0.1 1
50 310 7 VAL N N 120.53 0.1 1
51 311 8 SER H H 8.21 0.02 1
52 311 8 SER HA H 4.53 0.02 1
53 311 8 SER HB2 H 3.63 0.02 1
54 311 8 SER HB3 H 3.63 0.02 1
55 311 8 SER C C 172.34 0.1 1
56 311 8 SER CA C 57.8 0.1 1
57 311 8 SER CB C 64.26 0.1 1
58 311 8 SER N N 123.27 0.1 1
59 312 9 PHE H H 8.58 0.02 1
60 312 9 PHE HA H 5.63 0.02 1
61 312 9 PHE HB2 H 2.73 0.02 1
62 312 9 PHE HB3 H 2.81 0.02 1
63 312 9 PHE HD1 H 7.06 0.02 1
64 312 9 PHE HD2 H 7.06 0.02 1
65 312 9 PHE HE1 H 7.1 0.02 1
66 312 9 PHE HE2 H 7.1 0.02 1
67 312 9 PHE HZ H 7.16 0.02 1
68 312 9 PHE C C 175.78 0.1 1
69 312 9 PHE CA C 57.23 0.1 1
70 312 9 PHE CB C 42.82 0.1 1
71 312 9 PHE N N 122.33 0.1 1
72 313 10 PHE H H 9.27 0.02 1
73 313 10 PHE HA H 4.59 0.02 1
74 313 10 PHE HB2 H 3.03 0.02 1
75 313 10 PHE HB3 H 2.64 0.02 1
76 313 10 PHE HD1 H 7.15 0.02 1
77 313 10 PHE HD2 H 7.15 0.02 1
78 313 10 PHE HE1 H 6.94 0.02 1
79 313 10 PHE HE2 H 6.94 0.02 1
80 313 10 PHE C C 174.2 0.1 1
81 313 10 PHE CA C 56.93 0.1 1
82 313 10 PHE CB C 42.2 0.1 1
83 313 10 PHE N N 119.67 0.1 1
84 314 11 LEU H H 9.45 0.02 1
85 314 11 LEU HA H 4.88 0.02 1
86 314 11 LEU HB2 H 1.4 0.02 1
87 314 11 LEU HB3 H 1.97 0.02 1
88 314 11 LEU HG H 1.54 0.02 1
89 314 11 LEU HD1 H 0.89 0.02 1
90 314 11 LEU HD2 H 0.67 0.02 1
91 314 11 LEU C C 176.64 0.1 1
92 314 11 LEU CA C 55.63 0.1 1
93 314 11 LEU CB C 41.46 0.1 1
94 314 11 LEU N N 127.28 0.1 1
95 315 12 VAL H H 9.17 0.02 1
96 315 12 VAL HA H 5.1 0.02 1
97 315 12 VAL HB H 2.22 0.02 1
98 315 12 VAL HG1 H 0.89 0.02 2
99 315 12 VAL HG2 H 0.89 0.02 2
100 315 12 VAL C C 174.3 0.1 1
101 315 12 VAL CA C 58.84 0.1 1
102 315 12 VAL CB C 35.51 0.1 1
103 315 12 VAL N N 123.45 0.1 1
104 316 13 LYS H H 8.22 0.02 1
105 316 13 LYS HA H 5.19 0.02 1
106 316 13 LYS HB2 H 1.5 0.02 1
107 316 13 LYS HB3 H 1.5 0.02 1
108 316 13 LYS HG2 H 1.01 0.02 1
109 316 13 LYS HG3 H 1.01 0.02 1
110 316 13 LYS HD2 H 1.51 0.02 1
111 316 13 LYS HD3 H 1.51 0.02 1
112 316 13 LYS HE2 H 2.81 0.02 1
113 316 13 LYS HE3 H 2.81 0.02 1
114 316 13 LYS C C 175.22 0.1 1
115 316 13 LYS CA C 55.23 0.1 1
116 316 13 LYS CB C 36.29 0.1 1
117 316 13 LYS N N 116.27 0.1 1
118 317 14 GLU H H 9.36 0.02 1
119 317 14 GLU HA H 4.77 0.02 1
120 317 14 GLU HB2 H 1.95 0.02 1
121 317 14 GLU HB3 H 2.2 0.02 1
122 317 14 GLU HG2 H 2.28 0.02 1
123 317 14 GLU HG3 H 2.43 0.02 1
124 317 14 GLU C C 174.86 0.1 1
125 317 14 GLU CA C 53.83 0.1 1
126 317 14 GLU CB C 33.25 0.1 1
127 317 14 GLU N N 121.58 0.1 1
128 318 15 LYS H H 8.96 0.02 1
129 318 15 LYS HA H 4.57 0.02 1
130 318 15 LYS HB2 H 1.95 0.02 1
131 318 15 LYS HB3 H 1.95 0.02 1
132 318 15 LYS HG2 H 1.4 0.02 1
133 318 15 LYS HG3 H 1.4 0.02 1
134 318 15 LYS HD2 H 1.72 0.02 1
135 318 15 LYS HD3 H 1.72 0.02 1
136 318 15 LYS C C 176.73 0.1 1
137 318 15 LYS CA C 56.17 0.1 1
138 318 15 LYS CB C 33.32 0.1 1
139 318 15 LYS N N 122.91 0.1 1
140 319 16 MET H H 8.99 0.02 1
141 319 16 MET HA H 4.43 0.02 1
142 319 16 MET HB2 H 1.9 0.02 1
143 319 16 MET HB3 H 2.04 0.02 1
144 319 16 MET HG2 H 2.52 0.02 1
145 319 16 MET HG3 H 2.57 0.02 1
146 319 16 MET C C 175.76 0.1 1
147 319 16 MET CA C 55.24 0.1 1
148 319 16 MET CB C 34.41 0.1 1
149 319 16 MET N N 128.42 0.1 1
150 320 17 LYS H H 8.66 0.02 1
151 320 17 LYS HA H 4.16 0.02 1
152 320 17 LYS HB2 H 1.86 0.02 1
153 320 17 LYS HB3 H 1.86 0.02 1
154 320 17 LYS HG2 H 1.39 0.02 1
155 320 17 LYS HG3 H 1.48 0.02 1
156 320 17 LYS HD2 H 1.79 0.02 1
157 320 17 LYS HD3 H 1.79 0.02 1
158 320 17 LYS C C 178.1 0.1 1
159 320 17 LYS CA C 58.14 0.1 1
160 320 17 LYS CB C 32.33 0.1 1
161 320 17 LYS N N 126.2 0.1 1
162 321 18 GLY H H 8.95 0.02 1
163 321 18 GLY HA2 H 3.75 0.02 1
164 321 18 GLY HA3 H 4.1 0.02 1
165 321 18 GLY C C 173.77 0.1 1
166 321 18 GLY CA C 45.74 0.1 1
167 321 18 GLY N N 113.47 0.1 1
168 322 19 LYS H H 7.46 0.02 1
169 322 19 LYS HA H 4.63 0.02 1
170 322 19 LYS HB2 H 1.68 0.02 1
171 322 19 LYS HB3 H 1.68 0.02 1
172 322 19 LYS HG2 H 1.32 0.02 1
173 322 19 LYS HG3 H 1.4 0.02 1
174 322 19 LYS HD2 H 1.61 0.02 1
175 322 19 LYS HD3 H 1.61 0.02 1
176 322 19 LYS HE2 H 2.93 0.02 1
177 322 19 LYS HE3 H 2.93 0.02 1
178 322 19 LYS CA C 54.54 0.1 1
179 322 19 LYS N N 117.48 0.1 1
180 323 20 ASN HA H 4.01 0.02 1
181 323 20 ASN HB2 H 2.25 0.02 1
182 323 20 ASN HB3 H 2.47 0.02 1
183 323 20 ASN HD21 H 7.42 0.02 1
184 323 20 ASN HD22 H 6.86 0.02 1
185 323 20 ASN C C 174.04 0.1 1
186 323 20 ASN CA C 52.57 0.1 1
187 323 20 ASN CB C 38.14 0.1 1
188 323 20 ASN ND2 N 111.96 0.02 1
189 324 21 LYS H H 7.21 0.02 1
190 324 21 LYS HA H 4.42 0.02 1
191 324 21 LYS HB2 H 1.54 0.02 1
192 324 21 LYS HB3 H 1.54 0.02 1
193 324 21 LYS HG2 H 1.28 0.02 1
194 324 21 LYS HG3 H 1.39 0.02 1
195 324 21 LYS HD2 H 1.63 0.02 1
196 324 21 LYS HD3 H 1.63 0.02 1
197 324 21 LYS CA C 55.24 0.1 1
198 324 21 LYS CB C 35.11 0.1 1
199 324 21 LYS N N 117.34 0.1 1
200 325 22 LEU H H 8.83 0.02 1
201 325 22 LEU HA H 5.08 0.02 1
202 325 22 LEU HB2 H 1.58 0.02 1
203 325 22 LEU HB3 H 1.58 0.02 1
204 325 22 LEU HG H 0.98 0.02 1
205 325 22 LEU HD1 H 0.54 0.02 1
206 325 22 LEU HD2 H 0.32 0.02 1
207 325 22 LEU C C 177.17 0.1 1
208 325 22 LEU CA C 53.87 0.1 1
209 325 22 LEU CB C 44.02 0.1 1
210 325 22 LEU N N 124.35 0.1 1
211 326 23 VAL H H 9.43 0.02 1
212 326 23 VAL HA H 4.87 0.02 1
213 326 23 VAL HB H 2.21 0.02 1
214 326 23 VAL HG1 H 0.97 0.02 2
215 326 23 VAL HG2 H 0.97 0.02 2
216 326 23 VAL CA C 58.35 0.1 1
217 326 23 VAL N N 118.75 0.1 1
218 327 24 PRO HA H 5.03 0.02 1
219 327 24 PRO HB2 H 1.91 0.02 1
220 327 24 PRO HB3 H 2.25 0.02 1
221 327 24 PRO HD2 H 3.77 0.02 1
222 327 24 PRO HD3 H 3.86 0.02 1
223 327 24 PRO C C 175.93 0.1 1
224 327 24 PRO CA C 62.86 0.1 1
225 327 24 PRO CB C 32.66 0.1 1
226 328 25 ARG H H 8.92 0.02 1
227 328 25 ARG HA H 4.48 0.02 1
228 328 25 ARG HB2 H 1.96 0.02 1
229 328 25 ARG HB3 H 1.96 0.02 1
230 328 25 ARG HG2 H 1.66 0.02 1
231 328 25 ARG HG3 H 1.73 0.02 1
232 328 25 ARG HD2 H 3.74 0.02 1
233 328 25 ARG HD3 H 2.92 0.02 1
234 328 25 ARG HE H 7.26 0.02 1
235 328 25 ARG C C 173.88 0.1 1
236 328 25 ARG CA C 53.88 0.1 1
237 328 25 ARG CB C 34.31 0.1 1
238 328 25 ARG N N 121.29 0.1 1
239 328 25 ARG NE N 84.612 0.02 1
240 329 26 LEU H H 8.14 0.02 1
241 329 26 LEU HA H 5.3 0.02 1
242 329 26 LEU HB2 H 1.19 0.02 1
243 329 26 LEU HB3 H 1.56 0.02 1
244 329 26 LEU HG H 1.35 0.02 1
245 329 26 LEU HD1 H 0.41 0.02 1
246 329 26 LEU HD2 H 0.66 0.02 1
247 329 26 LEU C C 175.02 0.1 1
248 329 26 LEU CA C 53.96 0.1 1
249 329 26 LEU CB C 43.79 0.1 1
250 329 26 LEU N N 121.6 0.1 1
251 330 27 LEU H H 9.66 0.02 1
252 330 27 LEU HA H 5.53 0.02 1
253 330 27 LEU HB2 H 1.56 0.02 1
254 330 27 LEU HB3 H 2.12 0.02 1
255 330 27 LEU HG H 1.2 0.02 1
256 330 27 LEU HD1 H 0.91 0.02 1
257 330 27 LEU HD2 H 0.67 0.02 1
258 330 27 LEU C C 176.57 0.1 1
259 330 27 LEU CA C 53.52 0.1 1
260 330 27 LEU CB C 45.47 0.1 1
261 330 27 LEU N N 126.67 0.1 1
262 331 28 GLY H H 9.76 0.02 1
263 331 28 GLY HA2 H 5.29 0.02 1
264 331 28 GLY HA3 H 2.86 0.02 1
265 331 28 GLY C C 172.14 0.1 1
266 331 28 GLY CA C 44.57 0.1 1
267 331 28 GLY N N 112.57 0.1 1
268 332 29 ILE H H 8.95 0.02 1
269 332 29 ILE HA H 5.09 0.02 1
270 332 29 ILE HB H 1.95 0.02 1
271 332 29 ILE HG12 H 1.4 0.02 1
272 332 29 ILE HG13 H 1.56 0.02 1
273 332 29 ILE HG2 H 1.09 0.02 1
274 332 29 ILE HD1 H 0.83 0.02 1
275 332 29 ILE C C 175.96 0.1 1
276 332 29 ILE CA C 60.17 0.1 1
277 332 29 ILE CB C 40.37 0.1 1
278 332 29 ILE N N 123.33 0.1 1
279 333 30 THR H H 9.36 0.02 1
280 333 30 THR HA H 4.82 0.02 1
281 333 30 THR HB H 4.52 0.02 1
282 333 30 THR HG2 H 1.07 0.02 1
283 333 30 THR C C 171.52 0.1 1
284 333 30 THR CA C 58.86 0.1 1
285 333 30 THR CB C 71.72 0.1 1
286 333 30 THR N N 121.2 0.1 1
287 334 31 LYS H H 7.89 0.02 1
288 334 31 LYS HA H 2.77 0.02 1
289 334 31 LYS HB2 H 1.52 0.02 1
290 334 31 LYS HB3 H 1.52 0.02 1
291 334 31 LYS HG2 H 0.88 0.02 1
292 334 31 LYS HG3 H 0.88 0.02 1
293 334 31 LYS HD2 H 1.34 0.02 1
294 334 31 LYS HD3 H 1.34 0.02 1
295 334 31 LYS C C 175.92 0.1 1
296 334 31 LYS CA C 57.47 0.1 1
297 334 31 LYS CB C 32.23 0.1 1
298 334 31 LYS N N 111.6 0.1 1
299 335 32 GLU H H 7.69 0.02 1
300 335 32 GLU HA H 4.59 0.02 1
301 335 32 GLU HB2 H 1.81 0.02 1
302 335 32 GLU HB3 H 1.81 0.02 1
303 335 32 GLU HG2 H 2.14 0.02 1
304 335 32 GLU HG3 H 2.06 0.02 1
305 335 32 GLU C C 177.79 0.1 1
306 335 32 GLU CA C 56.52 0.1 1
307 335 32 GLU CB C 33.05 0.1 1
308 335 32 GLU N N 111.62 0.1 1
309 336 33 SER H H 8.09 0.02 1
310 336 33 SER HA H 5.48 0.02 1
311 336 33 SER HB2 H 3.57 0.02 1
312 336 33 SER HB3 H 3.8 0.02 1
313 336 33 SER C C 170.85 0.1 1
314 336 33 SER CA C 58.14 0.1 1
315 336 33 SER CB C 67.38 0.1 1
316 336 33 SER N N 117.91 0.1 1
317 337 34 VAL H H 9 0.02 1
318 337 34 VAL HA H 5.09 0.02 1
319 337 34 VAL HB H 2.17 0.02 1
320 337 34 VAL HG1 H 1.2 0.02 1
321 337 34 VAL HG2 H 1.12 0.02 1
322 337 34 VAL C C 174.66 0.1 1
323 337 34 VAL CA C 60.65 0.1 1
324 337 34 VAL CB C 34.91 0.1 1
325 337 34 VAL N N 117.99 0.1 1
326 338 35 MET H H 9.77 0.02 1
327 338 35 MET HA H 5.4 0.02 1
328 338 35 MET HB2 H 1.67 0.02 1
329 338 35 MET HB3 H 1.96 0.02 1
330 338 35 MET HG2 H 2.28 0.02 1
331 338 35 MET HG3 H 2.37 0.02 1
332 338 35 MET HE H 1.81 0.02 1
333 338 35 MET C C 174.95 0.1 1
334 338 35 MET CA C 54.29 0.1 1
335 338 35 MET CB C 37.43 0.1 1
336 338 35 MET N N 122.44 0.1 1
337 339 36 ARG H H 8.78 0.02 1
338 339 36 ARG HA H 4.89 0.02 1
339 339 36 ARG HB2 H 1.46 0.02 1
340 339 36 ARG HB3 H 1.64 0.02 1
341 339 36 ARG HG2 H 1.66 0.02 1
342 339 36 ARG HG3 H 1.66 0.02 1
343 339 36 ARG HD2 H 2.91 0.02 1
344 339 36 ARG HD3 H 3.07 0.02 1
345 339 36 ARG HE H 8.9 0.02 1
346 339 36 ARG C C 175.32 0.1 1
347 339 36 ARG CA C 55.63 0.1 1
348 339 36 ARG CB C 33.04 0.1 1
349 339 36 ARG N N 122 0.1 1
350 339 36 ARG NE N 84.88 0.02 1
351 340 37 VAL H H 9.36 0.02 1
352 340 37 VAL HA H 4.74 0.02 1
353 340 37 VAL HB H 1.94 0.02 1
354 340 37 VAL HG1 H 0.65 0.02 1
355 340 37 VAL HG2 H 0.91 0.02 1
356 340 37 VAL C C 174.51 0.1 1
357 340 37 VAL CA C 60.62 0.1 1
358 340 37 VAL CB C 35.3 0.1 1
359 340 37 VAL N N 125.64 0.1 1
360 341 38 ASP H H 8.75 0.02 1
361 341 38 ASP HA H 4.43 0.02 1
362 341 38 ASP HB2 H 2.43 0.02 1
363 341 38 ASP HB3 H 3.05 0.02 1
364 341 38 ASP C C 176.89 0.1 1
365 341 38 ASP CA C 55.37 0.1 1
366 341 38 ASP CB C 43.76 0.1 1
367 341 38 ASP N N 127.55 0.1 1
368 342 39 GLU H H 9.56 0.02 1
369 342 39 GLU HA H 3.81 0.02 1
370 342 39 GLU HB2 H 1.91 0.02 1
371 342 39 GLU HB3 H 1.91 0.02 1
372 342 39 GLU HG2 H 2.12 0.02 1
373 342 39 GLU HG3 H 2.12 0.02 1
374 342 39 GLU C C 175.99 0.1 1
375 342 39 GLU CA C 58.95 0.1 1
376 342 39 GLU CB C 29.42 0.1 1
377 342 39 GLU N N 128.48 0.1 1
378 343 40 LYS H H 8.62 0.02 1
379 343 40 LYS HA H 4.28 0.02 1
380 343 40 LYS HB2 H 1.96 0.02 1
381 343 40 LYS HB3 H 1.96 0.02 1
382 343 40 LYS HG2 H 1.32 0.02 1
383 343 40 LYS HG3 H 1.46 0.02 1
384 343 40 LYS HD2 H 1.67 0.02 1
385 343 40 LYS HD3 H 1.67 0.02 1
386 343 40 LYS C C 178.84 0.1 1
387 343 40 LYS CA C 58.07 0.1 1
388 343 40 LYS CB C 33.31 0.1 1
389 343 40 LYS N N 118.7 0.1 1
390 344 41 THR H H 8.39 0.02 1
391 344 41 THR HA H 4.19 0.02 1
392 344 41 THR HB H 4.31 0.02 1
393 344 41 THR HG2 H 1.13 0.02 1
394 344 41 THR C C 176.13 0.1 1
395 344 41 THR CA C 62.08 0.1 1
396 344 41 THR CB C 70.55 0.1 1
397 344 41 THR N N 108.43 0.1 1
398 345 42 LYS H H 8.04 0.02 1
399 345 42 LYS HA H 3.74 0.02 1
400 345 42 LYS HB2 H 1.89 0.02 1
401 345 42 LYS HB3 H 2.07 0.02 1
402 345 42 LYS HG2 H 1 0.02 1
403 345 42 LYS HG3 H 1.35 0.02 1
404 345 42 LYS HD2 H 1.2 0.02 1
405 345 42 LYS HD3 H 1.2 0.02 1
406 345 42 LYS HE2 H 2.6 0.02 1
407 345 42 LYS HE3 H 2.6 0.02 1
408 345 42 LYS C C 174.83 0.1 1
409 345 42 LYS CA C 57.22 0.1 1
410 345 42 LYS CB C 28.65 0.1 1
411 345 42 LYS N N 115.17 0.1 1
412 346 43 GLU H H 7.53 0.02 1
413 346 43 GLU HA H 4.16 0.02 1
414 346 43 GLU HB2 H 1.77 0.02 1
415 346 43 GLU HB3 H 1.77 0.02 1
416 346 43 GLU HG2 H 2 0.02 1
417 346 43 GLU HG3 H 2.14 0.02 1
418 346 43 GLU C C 176.11 0.1 1
419 346 43 GLU CA C 56.14 0.1 1
420 346 43 GLU CB C 31.03 0.1 1
421 346 43 GLU N N 117.53 0.1 1
422 347 44 VAL H H 8.77 0.02 1
423 347 44 VAL HA H 3.84 0.02 1
424 347 44 VAL HB H 1.98 0.02 1
425 347 44 VAL HG1 H 0.72 0.02 1
426 347 44 VAL HG2 H 1 0.02 1
427 347 44 VAL C C 176.34 0.1 1
428 347 44 VAL CA C 63.86 0.1 1
429 347 44 VAL CB C 31.75 0.1 1
430 347 44 VAL N N 124.41 0.1 1
431 348 45 ILE H H 8.98 0.02 1
432 348 45 ILE HA H 3.96 0.02 1
433 348 45 ILE HB H 1.48 0.02 1
434 348 45 ILE HG12 H 0.83 0.02 1
435 348 45 ILE HG13 H 0.96 0.02 1
436 348 45 ILE HG2 H 0.83 0.02 1
437 348 45 ILE HD1 H 0.74 0.02 1
438 348 45 ILE C C 176.18 0.1 1
439 348 45 ILE CA C 62.69 0.1 1
440 348 45 ILE CB C 39.41 0.1 1
441 348 45 ILE N N 128.46 0.1 1
442 349 46 GLN H H 7.4 0.02 1
443 349 46 GLN HA H 4.08 0.02 1
444 349 46 GLN HB2 H 0.64 0.02 1
445 349 46 GLN HB3 H 0.99 0.02 1
446 349 46 GLN HG2 H 1.66 0.02 1
447 349 46 GLN HG3 H 1.66 0.02 1
448 349 46 GLN HE21 H 7.01 0.02 1
449 349 46 GLN HE22 H 6.68 0.02 1
450 349 46 GLN C C 171.77 0.1 1
451 349 46 GLN CA C 55.42 0.1 1
452 349 46 GLN CB C 32.48 0.1 1
453 349 46 GLN N N 118.37 0.1 1
454 349 46 GLN NE2 N 110.36 0.02 1
455 350 47 GLU H H 8.21 0.02 1
456 350 47 GLU HA H 4.92 0.02 1
457 350 47 GLU HB2 H 1.67 0.02 1
458 350 47 GLU HB3 H 1.67 0.02 1
459 350 47 GLU HG2 H 1.94 0.02 1
460 350 47 GLU HG3 H 1.94 0.02 1
461 350 47 GLU C C 173.78 0.1 1
462 350 47 GLU CA C 54.64 0.1 1
463 350 47 GLU CB C 33.57 0.1 1
464 350 47 GLU N N 124.4 0.1 1
465 351 48 TRP H H 9.38 0.02 1
466 351 48 TRP HA H 4.84 0.02 1
467 351 48 TRP HB2 H 2.79 0.02 1
468 351 48 TRP HB3 H 2.73 0.02 1
469 351 48 TRP HD1 H 6.33 0.02 1
470 351 48 TRP HE1 H 8.99 0.02 1
471 351 48 TRP HE3 H 7.26 0.02 1
472 351 48 TRP HZ2 H 6.85 0.02 1
473 351 48 TRP HZ3 H 6.21 0.02 1
474 351 48 TRP HH2 H 5.67 0.02 1
475 351 48 TRP C C 175.76 0.1 1
476 351 48 TRP CA C 56.95 0.1 1
477 351 48 TRP CB C 32.67 0.1 1
478 351 48 TRP N N 123.42 0.1 1
479 351 48 TRP NE1 N 128.48 0.02 1
480 352 49 SER H H 8.63 0.02 1
481 352 49 SER HA H 4.82 0.02 1
482 352 49 SER HB2 H 3.9 0.02 1
483 352 49 SER HB3 H 3.98 0.02 1
484 352 49 SER C C 177.7 0.1 1
485 352 49 SER CA C 57.9 0.1 1
486 352 49 SER CB C 63.32 0.1 1
487 352 49 SER N N 116.13 0.1 1
488 353 50 LEU H H 8.47 0.02 1
489 353 50 LEU HA H 4.1 0.02 1
490 353 50 LEU HB2 H 1.56 0.02 1
491 353 50 LEU HB3 H 1.42 0.02 1
492 353 50 LEU HG H 1.34 0.02 1
493 353 50 LEU HD1 H 0.93 0.02 1
494 353 50 LEU HD2 H 0.85 0.02 1
495 353 50 LEU C C 180.01 0.1 1
496 353 50 LEU CA C 57.97 0.1 1
497 353 50 LEU CB C 41.82 0.1 1
498 353 50 LEU N N 125.8 0.1 1
499 354 51 THR H H 8.03 0.02 1
500 354 51 THR HA H 3.99 0.02 1
501 354 51 THR HB H 4.4 0.02 1
502 354 51 THR HG2 H 1.3 0.02 1
503 354 51 THR C C 175.19 0.1 1
504 354 51 THR CA C 64.15 0.1 1
505 354 51 THR CB C 68.69 0.1 1
506 354 51 THR N N 106.5 0.1 1
507 355 52 ASN H H 7.89 0.02 1
508 355 52 ASN HA H 4.91 0.02 1
509 355 52 ASN HB2 H 2.81 0.02 1
510 355 52 ASN HB3 H 3.06 0.02 1
511 355 52 ASN HD21 H 7.38 0.02 1
512 355 52 ASN HD22 H 6.98 0.02 1
513 355 52 ASN C C 174.87 0.1 1
514 355 52 ASN CA C 53.67 0.1 1
515 355 52 ASN CB C 39.71 0.1 1
516 355 52 ASN N N 118.71 0.1 1
517 355 52 ASN ND2 N 111.04 0.02 1
518 356 53 ILE H H 7.2 0.02 1
519 356 53 ILE HA H 3.61 0.02 1
520 356 53 ILE HB H 1.98 0.02 1
521 356 53 ILE HG13 H 1.96 0.02 1
522 356 53 ILE HG2 H 0.93 0.02 1
523 356 53 ILE HD1 H 0.83 0.02 1
524 356 53 ILE C C 175.64 0.1 1
525 356 53 ILE CA C 63.27 0.1 1
526 356 53 ILE CB C 38.33 0.1 1
527 356 53 ILE N N 117.65 0.1 1
528 357 54 LYS H H 9.33 0.02 1
529 357 54 LYS HA H 4.18 0.02 1
530 357 54 LYS HB2 H 1.49 0.02 1
531 357 54 LYS HB3 H 1.49 0.02 1
532 357 54 LYS HG2 H 0.9 0.02 1
533 357 54 LYS HG3 H 0.9 0.02 1
534 357 54 LYS HD2 H 1.36 0.02 1
535 357 54 LYS HD3 H 1.36 0.02 1
536 357 54 LYS C C 175.93 0.1 1
537 357 54 LYS CA C 57.85 0.1 1
538 357 54 LYS CB C 33.49 0.1 1
539 357 54 LYS N N 128.94 0.1 1
540 358 55 ARG H H 7.79 0.02 1
541 358 55 ARG HA H 4.78 0.02 1
542 358 55 ARG HB2 H 0.93 0.02 1
543 358 55 ARG HB3 H 0.93 0.02 1
544 358 55 ARG HG2 H 1.13 0.02 1
545 358 55 ARG HG3 H 1.13 0.02 1
546 358 55 ARG HE H 7.32 0.02 1
547 358 55 ARG C C 172.76 0.1 1
548 358 55 ARG CA C 54.03 0.1 1
549 358 55 ARG CB C 33.25 0.1 1
550 358 55 ARG N N 112.35 0.1 1
551 358 55 ARG NE N 83.88 0.02 1
552 359 56 TRP H H 8.7 0.02 1
553 359 56 TRP HA H 5.51 0.02 1
554 359 56 TRP HB2 H 3.16 0.02 1
555 359 56 TRP HB3 H 2.95 0.02 1
556 359 56 TRP HD1 H 6.8 0.02 1
557 359 56 TRP HE1 H 10.38 0.02 1
558 359 56 TRP HE3 H 7.07 0.02 1
559 359 56 TRP HZ2 H 7.37 0.02 1
560 359 56 TRP HZ3 H 6.65 0.02 1
561 359 56 TRP HH2 H 6.99 0.02 1
562 359 56 TRP C C 173.32 0.1 1
563 359 56 TRP CA C 56.22 0.1 1
564 359 56 TRP CB C 32.22 0.1 1
565 359 56 TRP N N 117.53 0.1 1
566 359 56 TRP NE1 N 129.49 0.02 1
567 360 57 ALA H H 8.33 0.02 1
568 360 57 ALA HA H 4.61 0.02 1
569 360 57 ALA HB H -0.12 0.02 1
570 360 57 ALA C C 175.78 0.1 1
571 360 57 ALA CA C 51.47 0.1 1
572 360 57 ALA CB C 22.48 0.1 1
573 360 57 ALA N N 119.33 0.1 1
574 361 58 ALA H H 9.17 0.02 1
575 361 58 ALA HA H 5.19 0.02 1
576 361 58 ALA HB H 1.41 0.02 1
577 361 58 ALA C C 175.14 0.1 1
578 361 58 ALA CA C 50.71 0.1 1
579 361 58 ALA CB C 21.81 0.1 1
580 361 58 ALA N N 127.13 0.1 1
581 362 59 SER H H 9.01 0.02 1
582 362 59 SER HA H 4.98 0.02 1
583 362 59 SER HB2 H 3.34 0.02 1
584 362 59 SER HB3 H 4.31 0.02 1
585 362 59 SER CA C 56.99 0.1 1
586 362 59 SER N N 121.16 0.1 1
587 363 60 PRO HA H 4.49 0.02 1
588 363 60 PRO HB2 H 1.6 0.02 1
589 363 60 PRO HB3 H 1.6 0.02 1
590 363 60 PRO HG2 H 2.12 0.02 1
591 363 60 PRO HG3 H 2.12 0.02 1
592 363 60 PRO HD2 H 3.71 0.02 1
593 363 60 PRO HD3 H 3.89 0.02 1
594 363 60 PRO C C 176.47 0.1 1
595 364 61 LYS H H 7.75 0.02 1
596 364 61 LYS HA H 4.8 0.02 1
597 364 61 LYS HB2 H 2.08 0.02 1
598 364 61 LYS HB3 H 2.08 0.02 1
599 364 61 LYS HG2 H 1.3 0.02 1
600 364 61 LYS HG3 H 1.3 0.02 1
601 364 61 LYS HD2 H 1.93 0.02 1
602 364 61 LYS HD3 H 1.93 0.02 1
603 364 61 LYS C C 177.13 0.1 1
604 364 61 LYS CA C 54.83 0.1 1
605 364 61 LYS CB C 35.28 0.1 1
606 364 61 LYS N N 110.99 0.1 1
607 365 62 SER H H 7.8 0.02 1
608 365 62 SER HA H 5.68 0.02 1
609 365 62 SER HB2 H 3.66 0.02 1
610 365 62 SER HB3 H 3.68 0.02 1
611 365 62 SER C C 171.18 0.1 1
612 365 62 SER CA C 58.14 0.1 1
613 365 62 SER CB C 67.85 0.1 1
614 365 62 SER N N 115.14 0.1 1
615 366 63 PHE H H 8.82 0.02 1
616 366 63 PHE HA H 5.09 0.02 1
617 366 63 PHE HB2 H 2.5 0.02 1
618 366 63 PHE HB3 H 2.8 0.02 1
619 366 63 PHE HD1 H 6.92 0.02 1
620 366 63 PHE HD2 H 6.92 0.02 1
621 366 63 PHE HE1 H 6.86 0.02 1
622 366 63 PHE HE2 H 6.86 0.02 1
623 366 63 PHE HZ H 6.62 0.02 1
624 366 63 PHE C C 173.01 0.1 1
625 366 63 PHE CA C 56.25 0.1 1
626 366 63 PHE CB C 43.67 0.1 1
627 366 63 PHE N N 118.88 0.1 1
628 367 64 THR H H 7.91 0.02 1
629 367 64 THR HA H 5.07 0.02 1
630 367 64 THR HB H 3.14 0.02 1
631 367 64 THR HG2 H 0.88 0.02 1
632 367 64 THR C C 171.93 0.1 1
633 367 64 THR CA C 61.6 0.1 1
634 367 64 THR CB C 72.16 0.1 1
635 367 64 THR N N 122.58 0.1 1
636 368 65 LEU H H 9.07 0.02 1
637 368 65 LEU HA H 4.35 0.02 1
638 368 65 LEU HB2 H 1.47 0.02 1
639 368 65 LEU HB3 H 1.47 0.02 1
640 368 65 LEU HG H 1.47 0.02 1
641 368 65 LEU HD1 H 0.87 0.02 1
642 368 65 LEU HD2 H 0.41 0.02 1
643 368 65 LEU C C 173.19 0.1 1
644 368 65 LEU CA C 53.76 0.1 1
645 368 65 LEU CB C 46.19 0.1 1
646 368 65 LEU N N 124.3 0.1 1
647 369 66 ASP H H 8.01 0.02 1
648 369 66 ASP HA H 4.85 0.02 1
649 369 66 ASP HB2 H 2.41 0.02 1
650 369 66 ASP HB3 H 2.73 0.02 1
651 369 66 ASP C C 176.1 0.1 1
652 369 66 ASP CA C 52.13 0.1 1
653 369 66 ASP CB C 43.19 0.1 1
654 369 66 ASP N N 119.36 0.1 1
655 370 67 PHE H H 9.25 0.02 1
656 370 67 PHE HA H 4.93 0.02 1
657 370 67 PHE HB2 H 2.71 0.02 1
658 370 67 PHE HB3 H 3.48 0.02 1
659 370 67 PHE HD1 H 6.67 0.02 1
660 370 67 PHE HD2 H 6.67 0.02 1
661 370 67 PHE HE1 H 6.21 0.02 1
662 370 67 PHE HE2 H 6.21 0.02 1
663 370 67 PHE HZ H 5.48 0.02 1
664 370 67 PHE C C 176.56 0.1 1
665 370 67 PHE CA C 57.62 0.1 1
666 370 67 PHE CB C 40.01 0.1 1
667 370 67 PHE N N 125.69 0.1 1
668 371 68 GLY H H 9.26 0.02 1
669 371 68 GLY HA2 H 3.92 0.02 1
670 371 68 GLY HA3 H 3.69 0.02 1
671 371 68 GLY C C 174.93 0.1 1
672 371 68 GLY CA C 46.79 0.1 1
673 371 68 GLY N N 111.02 0.1 1
674 372 69 ASP H H 8.58 0.02 1
675 372 69 ASP HA H 4.55 0.02 1
676 372 69 ASP HB2 H 2.51 0.02 1
677 372 69 ASP HB3 H 2.7 0.02 1
678 372 69 ASP C C 176.42 0.1 1
679 372 69 ASP CA C 54.55 0.1 1
680 372 69 ASP CB C 40.9 0.1 1
681 372 69 ASP N N 122.48 0.1 1
682 373 70 TYR H H 8.22 0.02 1
683 373 70 TYR HA H 4.3 0.02 1
684 373 70 TYR HB2 H 3.21 0.02 1
685 373 70 TYR HB3 H 3.21 0.02 1
686 373 70 TYR HD1 H 7.24 0.02 1
687 373 70 TYR HD2 H 7.24 0.02 1
688 373 70 TYR HE1 H 6.86 0.02 1
689 373 70 TYR HE2 H 6.86 0.02 1
690 373 70 TYR C C 175.93 0.1 1
691 373 70 TYR CA C 59.88 0.1 1
692 373 70 TYR CB C 42.18 0.1 1
693 373 70 TYR N N 119.82 0.1 1
694 374 71 GLN H H 7.83 0.02 1
695 374 71 GLN HA H 4.35 0.02 1
696 374 71 GLN HB2 H 2.06 0.02 1
697 374 71 GLN HB3 H 2.17 0.02 1
698 374 71 GLN HG2 H 2.31 0.02 1
699 374 71 GLN HG3 H 2.31 0.02 1
700 374 71 GLN C C 174.66 0.1 1
701 374 71 GLN CA C 55.99 0.1 1
702 374 71 GLN CB C 29.78 0.1 1
703 374 71 GLN N N 116.59 0.1 1
704 375 72 ASP H H 8.33 0.02 1
705 375 72 ASP HA H 4.65 0.02 1
706 375 72 ASP HB2 H 2.59 0.02 1
707 375 72 ASP HB3 H 2.74 0.02 1
708 375 72 ASP C C 176.52 0.1 1
709 375 72 ASP CA C 54.59 0.1 1
710 375 72 ASP CB C 40.86 0.1 1
711 375 72 ASP N N 120.64 0.1 1
712 376 73 GLY H H 8.16 0.02 1
713 376 73 GLY HA2 H 4.11 0.02 1
714 376 73 GLY HA3 H 3.69 0.02 1
715 376 73 GLY C C 174.1 0.1 1
716 376 73 GLY CA C 44.97 0.1 1
717 376 73 GLY N N 111.07 0.1 1
718 377 74 TYR H H 8.14 0.02 1
719 377 74 TYR HA H 5.2 0.02 1
720 377 74 TYR HB2 H 2.8 0.02 1
721 377 74 TYR HB3 H 3.13 0.02 1
722 377 74 TYR HD1 H 7.06 0.02 1
723 377 74 TYR HD2 H 7.06 0.02 1
724 377 74 TYR HE1 H 6.75 0.02 1
725 377 74 TYR HE2 H 6.75 0.02 1
726 377 74 TYR C C 180.5 0.1 1
727 377 74 TYR CA C 55.33 0.1 1
728 377 74 TYR CB C 39.94 0.1 1
729 377 74 TYR N N 120.39 0.1 1
730 378 75 TYR H H 8.84 0.02 1
731 378 75 TYR HA H 5.19 0.02 1
732 378 75 TYR HB2 H 2.73 0.02 1
733 378 75 TYR HB3 H 3.12 0.02 1
734 378 75 TYR HD1 H 7.1 0.02 1
735 378 75 TYR HD2 H 7.1 0.02 1
736 378 75 TYR HE1 H 6.84 0.02 1
737 378 75 TYR HE2 H 6.84 0.02 1
738 378 75 TYR C C 173.38 0.1 1
739 378 75 TYR CA C 57.26 0.1 1
740 378 75 TYR CB C 41.15 0.1 1
741 378 75 TYR N N 123.05 0.1 1
742 379 76 SER H H 8.23 0.02 1
743 379 76 SER HA H 5.36 0.02 1
744 379 76 SER HB2 H 3.47 0.02 1
745 379 76 SER HB3 H 3.63 0.02 1
746 379 76 SER C C 173.06 0.1 1
747 379 76 SER CA C 56.74 0.1 1
748 379 76 SER CB C 65.21 0.1 1
749 379 76 SER N N 122.53 0.1 1
750 380 77 VAL H H 9.07 0.02 1
751 380 77 VAL HA H 5 0.02 1
752 380 77 VAL HB H 1.95 0.02 1
753 380 77 VAL HG1 H 0.87 0.02 1
754 380 77 VAL HG2 H 0.67 0.02 1
755 380 77 VAL C C 174.55 0.1 1
756 380 77 VAL CA C 58.12 0.1 1
757 380 77 VAL CB C 36.31 0.1 1
758 380 77 VAL N N 114.95 0.1 1
759 381 78 GLN H H 9.31 0.02 1
760 381 78 GLN HA H 4.85 0.02 1
761 381 78 GLN HB2 H 1.95 0.02 1
762 381 78 GLN HB3 H 2.19 0.02 1
763 381 78 GLN HG2 H 2.43 0.02 1
764 381 78 GLN HG3 H 2.43 0.02 1
765 381 78 GLN HE21 H 7.49 0.02 1
766 381 78 GLN HE22 H 6.81 0.02 1
767 381 78 GLN C C 175.97 0.1 1
768 381 78 GLN CA C 55.07 0.1 1
769 381 78 GLN CB C 29.94 0.1 1
770 381 78 GLN N N 122.91 0.1 1
771 381 78 GLN NE2 N 110.41 0.02 1
772 382 79 THR H H 7.72 0.02 1
773 382 79 THR HA H 4.81 0.02 1
774 382 79 THR HB H 4.59 0.02 1
775 382 79 THR HG2 H 0.82 0.02 1
776 382 79 THR C C 172.4 0.1 1
777 382 79 THR CA C 60.15 0.1 1
778 382 79 THR CB C 67.05 0.1 1
779 382 79 THR N N 122.06 0.1 1
780 383 80 THR H H 8.71 0.02 1
781 383 80 THR HA H 4.93 0.02 1
782 383 80 THR HB H 4.7 0.02 1
783 383 80 THR HG2 H 1.31 0.02 1
784 383 80 THR C C 176.12 0.1 1
785 383 80 THR CA C 62.51 0.1 1
786 383 80 THR CB C 68.72 0.1 1
787 383 80 THR N N 117.86 0.1 1
788 384 81 GLU H H 9.19 0.02 1
789 384 81 GLU HA H 4.79 0.02 1
790 384 81 GLU HB2 H 1.68 0.02 1
791 384 81 GLU HB3 H 2.11 0.02 1
792 384 81 GLU HG2 H 2.22 0.02 1
793 384 81 GLU HG3 H 2.46 0.02 1
794 384 81 GLU C C 176.17 0.1 1
795 384 81 GLU CA C 55.5 0.1 1
796 384 81 GLU CB C 30.14 0.1 1
797 384 81 GLU N N 123.86 0.1 1
798 385 82 GLY H H 9.19 0.02 1
799 385 82 GLY HA2 H 3.82 0.02 1
800 385 82 GLY HA3 H 3.19 0.02 1
801 385 82 GLY C C 174.57 0.1 1
802 385 82 GLY CA C 47.88 0.1 1
803 385 82 GLY N N 110.64 0.1 1
804 386 83 GLU H H 8.74 0.02 1
805 386 83 GLU HA H 3.97 0.02 1
806 386 83 GLU HB2 H 1.87 0.02 1
807 386 83 GLU HB3 H 1.87 0.02 1
808 386 83 GLU HG2 H 2.1 0.02 1
809 386 83 GLU HG3 H 2.22 0.02 1
810 386 83 GLU C C 178.86 0.1 1
811 386 83 GLU CA C 59.3 0.1 1
812 386 83 GLU CB C 29.01 0.1 1
813 386 83 GLU N N 118.88 0.1 1
814 387 84 GLN H H 7.52 0.02 1
815 387 84 GLN HA H 3.94 0.02 1
816 387 84 GLN HB2 H 2.04 0.02 1
817 387 84 GLN HB3 H 2.22 0.02 1
818 387 84 GLN HG2 H 2.36 0.02 1
819 387 84 GLN HG3 H 2.52 0.02 1
820 387 84 GLN HE21 H 7.59 0.02 1
821 387 84 GLN HE22 H 6.98 0.02 1
822 387 84 GLN C C 178.83 0.1 1
823 387 84 GLN CA C 59.43 0.1 1
824 387 84 GLN CB C 28.41 0.1 1
825 387 84 GLN N N 119.76 0.1 1
826 387 84 GLN NE2 N 111.99 0.02 1
827 388 85 ILE H H 7.72 0.02 1
828 388 85 ILE HA H 2.61 0.02 1
829 388 85 ILE HB H 0.44 0.02 1
830 388 85 ILE HG12 H -1.29 0.02 1
831 388 85 ILE HG13 H 0.41 0.02 1
832 388 85 ILE HG2 H -0.42 0.02 1
833 388 85 ILE HD1 H -0.08 0.02 1
834 388 85 ILE C C 177.14 0.1 1
835 388 85 ILE CA C 65.52 0.1 1
836 388 85 ILE CB C 41.48 0.1 1
837 388 85 ILE N N 121.65 0.1 1
838 389 86 ALA H H 7.99 0.02 1
839 389 86 ALA HA H 3.24 0.02 1
840 389 86 ALA HB H 1.52 0.02 1
841 389 86 ALA C C 178.82 0.1 1
842 389 86 ALA CA C 55.05 0.1 1
843 389 86 ALA CB C 18.82 0.1 1
844 389 86 ALA N N 119.35 0.1 1
845 390 87 GLN H H 7.64 0.02 1
846 390 87 GLN HA H 3.94 0.02 1
847 390 87 GLN HB2 H 1.98 0.02 1
848 390 87 GLN HB3 H 2.06 0.02 1
849 390 87 GLN HG2 H 2.48 0.02 1
850 390 87 GLN HG3 H 2.36 0.02 1
851 390 87 GLN HE21 H 6.8 0.02 1
852 390 87 GLN HE22 H 7.5 0.02 1
853 390 87 GLN C C 178.75 0.1 1
854 390 87 GLN CA C 58.6 0.1 1
855 390 87 GLN CB C 28.67 0.1 1
856 390 87 GLN N N 115.39 0.1 1
857 390 87 GLN NE2 N 111.56 0.02 1
858 391 88 LEU H H 7.47 0.02 1
859 391 88 LEU HA H 3.74 0.02 1
860 391 88 LEU HB2 H 1.44 0.02 1
861 391 88 LEU HB3 H 1.6 0.02 1
862 391 88 LEU HG H 1.3 0.02 1
863 391 88 LEU HD1 H 0.76 0.02 1
864 391 88 LEU HD2 H 0.83 0.02 1
865 391 88 LEU C C 178.51 0.1 1
866 391 88 LEU CA C 57.46 0.1 1
867 391 88 LEU CB C 42.61 0.1 1
868 391 88 LEU N N 121.72 0.1 1
869 392 89 ILE H H 7.79 0.02 1
870 392 89 ILE HA H 3.24 0.02 1
871 392 89 ILE HB H 1.13 0.02 1
872 392 89 ILE HG12 H 0.72 0.02 1
873 392 89 ILE HG13 H 1.42 0.02 1
874 392 89 ILE HG2 H 0.08 0.02 1
875 392 89 ILE HD1 H 0.49 0.02 1
876 392 89 ILE C C 177.1 0.1 1
877 392 89 ILE CA C 65.98 0.1 1
878 392 89 ILE CB C 37.68 0.1 1
879 392 89 ILE N N 117.5 0.1 1
880 393 90 ALA H H 8.47 0.02 1
881 393 90 ALA HA H 3.85 0.02 1
882 393 90 ALA HB H 1.59 0.02 1
883 393 90 ALA C C 181.34 0.1 1
884 393 90 ALA CA C 55.54 0.1 1
885 393 90 ALA CB C 18.79 0.1 1
886 393 90 ALA N N 120.24 0.1 1
887 394 91 GLY H H 7.94 0.02 1
888 394 91 GLY HA2 H 3.9 0.02 1
889 394 91 GLY HA3 H 3.9 0.02 1
890 394 91 GLY C C 177.24 0.1 1
891 394 91 GLY CA C 46.99 0.1 1
892 394 91 GLY N N 105.13 0.1 1
893 395 92 TYR H H 8.08 0.02 1
894 395 92 TYR HA H 4.8 0.02 1
895 395 92 TYR HB2 H 2.94 0.02 1
896 395 92 TYR HB3 H 3.06 0.02 1
897 395 92 TYR HD1 H 6.86 0.02 1
898 395 92 TYR HD2 H 6.86 0.02 1
899 395 92 TYR HE1 H 6.5 0.02 1
900 395 92 TYR HE2 H 6.5 0.02 1
901 395 92 TYR C C 176.57 0.1 1
902 395 92 TYR CA C 58.02 0.1 1
903 395 92 TYR CB C 37.41 0.1 1
904 395 92 TYR N N 122.1 0.1 1
905 396 93 ILE H H 8.83 0.02 1
906 396 93 ILE HA H 3.74 0.02 1
907 396 93 ILE HB H 2.07 0.02 1
908 396 93 ILE HG12 H 1.07 0.02 1
909 396 93 ILE HG13 H 1.91 0.02 1
910 396 93 ILE HG2 H 0.91 0.02 1
911 396 93 ILE HD1 H 0.94 0.02 1
912 396 93 ILE C C 177.17 0.1 1
913 396 93 ILE CA C 66.1 0.1 1
914 396 93 ILE CB C 37.41 0.1 1
915 396 93 ILE N N 122.98 0.1 1
916 397 94 ASP H H 8.07 0.02 1
917 397 94 ASP HA H 4.49 0.02 1
918 397 94 ASP HB2 H 2.72 0.02 1
919 397 94 ASP HB3 H 2.86 0.02 1
920 397 94 ASP C C 178.47 0.1 1
921 397 94 ASP CA C 57.92 0.1 1
922 397 94 ASP N N 120.66 0.1 1
923 398 95 ILE H H 7.38 0.02 1
924 398 95 ILE HA H 3.69 0.02 1
925 398 95 ILE HB H 2.08 0.02 1
926 398 95 ILE HG12 H 1.21 0.02 1
927 398 95 ILE HG13 H 1.96 0.02 1
928 398 95 ILE HG2 H 0.95 0.02 1
929 398 95 ILE HD1 H 1 0.02 1
930 398 95 ILE C C 179.25 0.1 1
931 398 95 ILE CA C 65.28 0.1 1
932 398 95 ILE CB C 38.49 0.1 1
933 398 95 ILE N N 117.51 0.1 1
934 399 96 ILE H H 7.46 0.02 1
935 399 96 ILE HA H 3.58 0.02 1
936 399 96 ILE HB H 2.04 0.02 1
937 399 96 ILE HG12 H 1.07 0.02 1
938 399 96 ILE HG13 H 1.66 0.02 1
939 399 96 ILE HG2 H 0.89 0.02 1
940 399 96 ILE HD1 H 0.93 0.02 1
941 399 96 ILE C C 178.88 0.1 1
942 399 96 ILE CA C 65.83 0.1 1
943 399 96 ILE CB C 38.67 0.1 1
944 399 96 ILE N N 121.33 0.1 1
945 400 97 LEU H H 8.56 0.02 1
946 400 97 LEU HA H 3.91 0.02 1
947 400 97 LEU HB2 H 2.01 0.02 1
948 400 97 LEU HB3 H 2.01 0.02 1
949 400 97 LEU HG H 1.6 0.02 1
950 400 97 LEU HD1 H 0.82 0.02 1
951 400 97 LEU HD2 H 0.87 0.02 1
952 400 97 LEU C C 178.91 0.1 1
953 400 97 LEU CA C 57.9 0.1 1
954 400 97 LEU CB C 41.75 0.1 1
955 400 97 LEU N N 120.56 0.1 1
956 401 98 LYS H H 7.92 0.02 1
957 401 98 LYS HA H 4.05 0.02 1
958 401 98 LYS HB2 H 1.87 0.02 1
959 401 98 LYS HB3 H 1.93 0.02 1
960 401 98 LYS HG2 H 1.45 0.02 1
961 401 98 LYS HG3 H 1.45 0.02 1
962 401 98 LYS HD2 H 1.6 0.02 1
963 401 98 LYS HD3 H 1.6 0.02 1
964 401 98 LYS HE2 H 2.95 0.02 1
965 401 98 LYS HE3 H 2.95 0.02 1
966 401 98 LYS C C 178.01 0.1 1
967 401 98 LYS CA C 58.14 0.1 1
968 401 98 LYS CB C 32.38 0.1 1
969 401 98 LYS N N 117.44 0.1 1
970 402 99 LYS H H 7.74 0.02 1
971 402 99 LYS HA H 4.17 0.02 1
972 402 99 LYS HB2 H 1.89 0.02 1
973 402 99 LYS HB3 H 1.89 0.02 1
974 402 99 LYS HG2 H 1.47 0.02 1
975 402 99 LYS HG3 H 1.47 0.02 1
976 402 99 LYS HD2 H 1.58 0.02 1
977 402 99 LYS HD3 H 1.58 0.02 1
978 402 99 LYS HE2 H 2.94 0.02 1
979 402 99 LYS HE3 H 2.94 0.02 1
980 402 99 LYS C C 177.33 0.1 1
981 402 99 LYS CA C 57.59 0.1 1
982 402 99 LYS CB C 32.85 0.1 1
983 402 99 LYS N N 119.12 0.1 1
984 403 100 LYS H H 7.91 0.02 1
985 403 100 LYS HA H 4.24 0.02 1
986 403 100 LYS HB2 H 1.86 0.02 1
987 403 100 LYS HB3 H 1.86 0.02 1
988 403 100 LYS HG2 H 1.54 0.02 1
989 403 100 LYS HG3 H 1.54 0.02 1
990 403 100 LYS HD2 H 1.64 0.02 1
991 403 100 LYS HD3 H 1.64 0.02 1
992 403 100 LYS HE2 H 2.95 0.02 1
993 403 100 LYS HE3 H 2.95 0.02 1
994 403 100 LYS CA C 57.04 0.1 1
995 403 100 LYS CB C 33.13 0.1 1
996 403 100 LYS N N 120.71 0.1 1
997 404 101 LYS H H 8.17 0.02 1
998 404 101 LYS HA H 4.36 0.02 1
999 404 101 LYS HB2 H 1.78 0.02 1
1000 404 101 LYS HB3 H 1.91 0.02 1
1001 404 101 LYS HG2 H 1.47 0.02 1
1002 404 101 LYS HG3 H 1.47 0.02 1
1003 404 101 LYS HD2 H 1.65 0.02 1
1004 404 101 LYS HD3 H 1.65 0.02 1
1005 404 101 LYS HE2 H 2.97 0.02 1
1006 404 101 LYS HE3 H 2.97 0.02 1
1007 404 101 LYS C C 176.75 0.1 1
1008 404 101 LYS CA C 56.36 0.1 1
1009 404 101 LYS CB C 33.16 0.1 1
1010 404 101 LYS N N 122.25 0.1 1
1011 405 102 SER H H 7.91 0.02 1
1012 405 102 SER HA H 4.23 0.02 1
1013 405 102 SER HB2 H 3.83 0.02 1
1014 405 102 SER HB3 H 3.83 0.02 1
1015 405 102 SER C C 175.82 0.1 1
1016 405 102 SER CA C 60.08 0.1 1
1017 405 102 SER N N 122.52 0.1 1
stop_
save_
save_chem_shift_list_1_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$software_1
stop_
loop_
_Experiment_label
'1H15N NOESY-HSQC'
'2D NOESY (1H-1H)'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $chemical_shift_referencing
_Mol_system_component_name 'Integrin/PIPKIg peptide'
_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
1 716 1 LYS H H 8.28 0.02 1
2 716 1 LYS HA H 4.22 0.02 1
3 716 1 LYS HB2 H 1.78 0.02 1
4 716 1 LYS HB3 H 1.78 0.02 1
5 716 1 LYS HG2 H 1.41 0.02 1
6 716 1 LYS HG3 H 1.46 0.02 1
7 716 1 LYS HD2 H 1.73 0.02 1
8 716 1 LYS HD3 H 1.73 0.02 1
9 717 2 LEU H H 8.28 0.02 1
10 717 2 LEU HA H 4.36 0.02 1
11 717 2 LEU HB2 H 1.60 0.02 1
12 717 2 LEU HB3 H 1.60 0.02 1
13 717 2 LEU HG H 1.63 0.02 1
14 717 2 LEU HD1 H 0.93 0.02 1
15 717 2 LEU HD2 H 0.88 0.02 1
16 718 3 LEU H H 8.18 0.02 1
17 718 3 LEU HA H 4.36 0.02 1
18 718 3 LEU HB2 H 1.64 0.02 1
19 718 3 LEU HB3 H 1.64 0.02 1
20 718 3 LEU HG H 1.58 0.02 1
21 718 3 LEU HD1 H 0.93 0.02 1
22 718 3 LEU HD2 H 0.87 0.02 1
23 719 4 ILE H H 8.11 0.02 1
24 719 4 ILE HA H 4.37 0.02 1
25 719 4 ILE HB H 1.89 0.02 1
26 719 4 ILE HG12 H 1.15 0.02 1
27 719 4 ILE HG13 H 1.51 0.02 1
28 719 4 ILE HG2 H 0.93 0.02 1
29 719 4 ILE HD1 H 0.82 0.02 1
30 720 5 THR H H 8.74 0.02 1
31 720 5 THR HA H 4.47 0.02 1
32 720 5 THR HG2 H 1.25 0.02 1
33 721 6 ILE H H 8.45 0.02 1
34 721 6 ILE HA H 3.99 0.02 1
35 721 6 ILE HB H 1.88 0.02 1
36 721 6 ILE HG12 H 1.48 0.02 1
37 721 6 ILE HG13 H 1.22 0.02 1
38 721 6 ILE HG2 H 0.89 0.02 1
39 722 7 HIS H H 8.22 0.02 1
40 722 7 HIS HA H 4.46 0.02 1
41 722 7 HIS HB2 H 3.09 0.02 1
42 722 7 HIS HB3 H 3.20 0.02 1
43 722 7 HIS HD1 H 7.21 0.02 1
44 723 8 ASP H H 8.26 0.02 1
45 723 8 ASP HA H 4.52 0.02 1
46 723 8 ASP HB2 H 2.75 0.02 1
47 723 8 ASP HB3 H 2.97 0.02 1
48 724 9 ARG H H 8.36 0.02 1
49 724 9 ARG HA H 4.31 0.02 1
50 724 9 ARG HB2 H 1.95 0.02 1
51 724 9 ARG HB3 H 1.98 0.02 1
52 724 9 ARG HG2 H 1.72 0.02 1
53 724 9 ARG HG3 H 1.82 0.02 1
54 724 9 ARG HD2 H 3.21 0.02 1
55 724 9 ARG HD3 H 3.24 0.02 1
56 725 10 LYS H H 8.39 0.02 1
57 725 10 LYS HA H 4.20 0.02 1
58 725 10 LYS HB2 H 1.89 0.02 1
59 725 10 LYS HB3 H 1.89 0.02 1
60 725 10 LYS HG2 H 1.43 0.02 1
61 725 10 LYS HG3 H 1.43 0.02 1
62 725 10 LYS HD2 H 1.59 0.02 1
63 725 10 LYS HD3 H 1.70 0.02 1
64 726 11 GLU H H 8.29 0.02 1
65 726 11 GLU HA H 4.06 0.02 1
66 726 11 GLU HB2 H 2.11 0.02 1
67 726 11 GLU HB3 H 2.00 0.02 1
68 726 11 GLU HG2 H 2.24 0.02 1
69 726 11 GLU HG3 H 2.24 0.02 1
70 727 12 PHE H H 8.37 0.02 1
71 727 12 PHE HA H 4.25 0.02 1
72 727 12 PHE HB2 H 3.10 0.02 1
73 727 12 PHE HB3 H 3.20 0.02 1
74 727 12 PHE HD1 H 7.14 0.02 1
75 727 12 PHE HD2 H 7.14 0.02 1
76 727 12 PHE HE1 H 7.28 0.02 1
77 727 12 PHE HE2 H 7.28 0.02 1
78 728 13 ALA H H 8.21 0.02 1
79 728 13 ALA HA H 4.17 0.02 1
80 728 13 ALA HB H 1.51 0.02 1
81 729 14 LYS H H 8.02 0.02 1
82 729 14 LYS HA H 4.13 0.02 1
83 729 14 LYS HB2 H 1.86 0.02 1
84 729 14 LYS HB3 H 1.86 0.02 1
85 729 14 LYS HG2 H 1.68 0.02 1
86 729 14 LYS HG3 H 1.68 0.02 1
87 729 14 LYS HD2 H 1.99 0.02 1
88 729 14 LYS HD3 H 2.04 0.02 1
89 730 15 PHE H H 7.91 0.02 1
90 730 15 PHE HA H 4.42 0.02 1
91 730 15 PHE HB2 H 3.15 0.02 1
92 730 15 PHE HB3 H 3.18 0.02 1
93 730 15 PHE HD1 H 7.11 0.02 1
94 730 15 PHE HD2 H 7.11 0.02 1
95 730 15 PHE HE1 H 6.99 0.02 1
96 730 15 PHE HE2 H 6.99 0.02 1
97 731 16 GLU H H 8.15 0.02 1
98 731 16 GLU HA H 3.70 0.02 1
99 731 16 GLU HB2 H 1.93 0.02 1
100 731 16 GLU HB3 H 1.86 0.02 1
101 731 16 GLU HG2 H 2.06 0.02 1
102 731 16 GLU HG3 H 2.06 0.02 1
103 732 17 GLU H H 7.80 0.02 1
104 732 17 GLU HA H 3.97 0.02 1
105 732 17 GLU HB2 H 2.04 0.02 1
106 732 17 GLU HB3 H 2.04 0.02 1
107 732 17 GLU HG2 H 2.19 0.02 1
108 732 17 GLU HG3 H 2.33 0.02 1
109 733 18 GLU H H 7.95 0.02 1
110 733 18 GLU HA H 3.92 0.02 1
111 733 18 GLU HB2 H 2.00 0.02 1
112 733 18 GLU HB3 H 2.00 0.02 1
113 733 18 GLU HG2 H 2.14 0.02 1
114 733 18 GLU HG3 H 2.20 0.02 1
115 734 19 ARG H H 7.93 0.02 1
116 734 19 ARG HA H 3.82 0.02 1
117 734 19 ARG HB2 H 1.37 0.02 1
118 734 19 ARG HB3 H 1.44 0.02 1
119 734 19 ARG HG2 H 1.24 0.02 1
120 734 19 ARG HG3 H 1.33 0.02 1
121 734 19 ARG HD2 H 2.52 0.02 1
122 734 19 ARG HD3 H 2.82 0.02 1
123 734 19 ARG HE H 7.27 0.02 1
124 735 20 ALA H H 7.36 0.02 1
125 735 20 ALA HA H 4.10 0.02 1
126 735 20 ALA HB H 1.39 0.02 1
127 736 21 ARG H H 7.54 0.02 1
128 736 21 ARG HA H 4.26 0.02 1
129 736 21 ARG HB2 H 1.77 0.02 1
130 736 21 ARG HB3 H 1.87 0.02 1
131 736 21 ARG HG2 H 1.65 0.02 1
132 736 21 ARG HG3 H 1.61 0.02 1
133 736 21 ARG HD2 H 3.16 0.02 1
134 736 21 ARG HD3 H 3.16 0.02 1
135 737 22 ALA H H 7.22 0.02 1
136 737 22 ALA HA H 3.91 0.02 1
137 737 22 ALA HB H 0.67 0.02 1
138 738 23 LYS H H 8.01 0.02 1
139 738 23 LYS HA H 4.30 0.02 1
140 738 23 LYS HB2 H 1.67 0.02 1
141 738 23 LYS HB3 H 1.67 0.02 1
142 738 23 LYS HG2 H 1.34 0.02 1
143 738 23 LYS HG3 H 1.44 0.02 1
144 738 23 LYS HD2 H 1.76 0.02 1
145 738 23 LYS HD3 H 1.76 0.02 1
146 739 24 TRP H H 7.98 0.02 1
147 739 24 TRP HA H 4.43 0.02 1
148 739 24 TRP HB2 H 2.26 0.02 1
149 739 24 TRP HB3 H 2.87 0.02 1
150 739 24 TRP HD1 H 7.24 0.02 1
151 739 24 TRP HE1 H 9.91 0.02 1
152 739 24 TRP HE3 H 6.70 0.02 1
153 739 24 TRP HZ2 H 6.87 0.02 1
154 739 24 TRP HZ3 H 6.05 0.02 1
155 739 24 TRP HH2 H 5.78 0.02 1
156 740 25 VAL H H 9.36 0.02 1
157 740 25 VAL HA H 3.82 0.02 1
158 740 25 VAL HB H 0.54 0.02 1
159 740 25 VAL HG1 H 0.54 0.02 1
160 740 25 VAL HG2 H 0.78 0.02 1
161 741 26 PTR HA H 3.96 0.02 1
162 741 26 PTR HB2 H 2.66 0.02 1
163 741 26 PTR HB3 H 2.59 0.02 1
164 741 26 PTR H H 8.44 0.02 1
165 741 26 PTR HD1 H 6.61 0.02 3
166 741 26 PTR HD2 H 6.61 0.02 3
167 741 26 PTR HE1 H 6.78 0.02 3
168 741 26 PTR HE2 H 6.78 0.02 3
169 742 27 SER H H 8.24 0.02 1
170 742 27 SER HB2 H 4.14 0.02 1
171 742 27 SER HB3 H 4.14 0.02 1
172 743 28 PRO HA H 4.64 0.02 1
173 743 28 PRO HB2 H 2.35 0.02 1
174 743 28 PRO HB3 H 2.47 0.02 1
175 743 28 PRO HG2 H 2.02 0.02 1
176 743 28 PRO HG3 H 2.02 0.02 1
177 743 28 PRO HD2 H 4.26 0.02 1
178 743 28 PRO HD3 H 4.18 0.02 1
179 744 29 LEU H H 7.74 0.02 1
180 744 29 LEU HA H 4.14 0.02 1
181 744 29 LEU HB2 H 1.53 0.02 1
182 744 29 LEU HB3 H 1.43 0.02 1
183 744 29 LEU HD1 H 0.97 0.02 1
184 744 29 LEU HD2 H 0.86 0.02 1
185 745 30 HIS H H 7.48 0.02 1
186 745 30 HIS HA H 4.68 0.02 1
187 745 30 HIS HB2 H 3.02 0.02 1
188 745 30 HIS HB3 H 3.12 0.02 1
189 745 30 HIS HD2 H 7.03 0.02 1
190 746 31 TYR H H 7.84 0.02 1
191 746 31 TYR HA H 4.61 0.02 1
192 746 31 TYR HB2 H 2.82 0.02 1
193 746 31 TYR HB3 H 2.99 0.02 1
194 746 31 TYR HD1 H 7.22 0.02 1
195 746 31 TYR HD2 H 7.22 0.02 1
196 746 31 TYR HE1 H 6.84 0.02 1
197 746 31 TYR HE2 H 6.84 0.02 1
198 747 32 SER H H 8.20 0.02 1
199 747 32 SER HA H 4.38 0.02 1
200 747 32 SER HB2 H 3.81 0.02 1
201 747 32 SER HB3 H 3.81 0.02 1
202 748 33 ALA H H 8.36 0.02 1
203 748 33 ALA HA H 4.28 0.02 1
204 748 33 ALA HB H 1.40 0.02 1
205 749 34 ARG H H 8.09 0.02 1
206 749 34 ARG HA H 4.24 0.02 1
207 749 34 ARG HB2 H 1.68 0.02 1
208 749 34 ARG HB3 H 1.68 0.02 1
209 749 34 ARG HG2 H 1.53 0.02 1
210 749 34 ARG HG3 H 1.53 0.02 1
211 749 34 ARG HD2 H 3.02 0.02 1
212 749 34 ARG HD3 H 3.02 0.02 1
213 749 34 ARG HE H 7.16 0.02 1
stop_
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