data_5306
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H, 13C, and 15N Chemical Shift Assignments for the HIF-1alpha CTAD/p300 CH1
Complex
;
_BMRB_accession_number 5306
_BMRB_flat_file_name bmr5306.str
_Entry_type original
_Submission_date 2002-02-26
_Accession_date 2002-02-27
_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 Freedman Steven J. .
2 Sun Zhen-Yu J. .
3 Poy Florence . .
4 Kung Andrew L. .
5 Livingston David M. .
6 Wagner Gerhard . .
7 Eck Michael J. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 665
"13C chemical shifts" 557
"15N chemical shifts" 146
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2003-05-01 update author 'correction of chemical shifts'
2002-05-15 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Structural Basis for Recruitment of CBP/p300 by Hypoxia-inducible Factor-1 alpha
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code 21957254
_PubMed_ID 11959990
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Freedman Steven J. .
2 Sun Zhen-Yu J. .
3 Poy Florence . .
4 Kung Andrew L. .
5 Livingston David M. .
6 Wagner Gerhard . .
7 Eck Michael J. .
stop_
_Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.'
_Journal_volume 99
_Journal_issue 8
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 5367
_Page_last 5372
_Year 2002
_Details .
loop_
_Keyword
'protein-protein complex'
NMR
stop_
save_
##################################
# Molecular system description #
##################################
save_system_HIF-1alpha-p300_complex
_Saveframe_category molecular_system
_Mol_system_name 'hypoxia inducible factor-1alpha/p300 complex'
_Abbreviation_common 'HIF-1alpha/p300 complex'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'HIF-1alpha C-terminal activation domain' $CTAD
'p300 cysteine/histidine-rich 1 domain' $CH1
'ZINC (II) ION, I' $ZN
'ZINC (II) ION, II' $ZN
'ZINC (II) ION, III' $ZN
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state complex
_System_paramagnetic no
_System_thiol_state 'other bound and free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_CTAD
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'C-terminal activation domain of hypoxia inducible factor-1alpha'
_Abbreviation_common CTAD
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details
;
The N-terminal glycine is vector-derived.
N803 is hydroxylated under certain conditions.
;
##############################
# Polymer residue sequence #
##############################
_Residue_count 42
_Mol_residue_sequence
;
GSMDESGLPQLTSYDCEVNA
PIQGSRNLLQGEELLRALDQ
VN
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -1 GLY 2 786 SER 3 787 MET 4 788 ASP 5 789 GLU
6 790 SER 7 791 GLY 8 792 LEU 9 793 PRO 10 794 GLN
11 795 LEU 12 796 THR 13 797 SER 14 798 TYR 15 799 ASP
16 800 CYS 17 801 GLU 18 802 VAL 19 803 ASN 20 804 ALA
21 805 PRO 22 806 ILE 23 807 GLN 24 808 GLY 25 809 SER
26 810 ARG 27 811 ASN 28 812 LEU 29 813 LEU 30 814 GLN
31 815 GLY 32 816 GLU 33 817 GLU 34 818 LEU 35 819 LEU
36 820 ARG 37 821 ALA 38 822 LEU 39 823 ASP 40 824 GLN
41 825 VAL 42 826 ASN
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
BMRB 5788 p300_CH1 100.00 101 100.00 100.00 1.59e-66
PDB 1L3E "Nmr Structures Of The Hif-1alpha CtadP300 CH1 COMPLEX" 100.00 101 100.00 100.00 1.59e-66
PDB 1P4Q "Solution Structure Of The Cited2 Transactivation Domain In Complex With The P300 Ch1 Domain" 100.00 101 100.00 100.00 1.59e-66
DBJ BAC31311 "unnamed protein product [Mus musculus]" 100.00 714 100.00 100.00 5.64e-66
DBJ BAG10860 "E1A binding protein p300 [synthetic construct]" 100.00 2414 100.00 100.00 2.33e-63
EMBL CAF93378 "unnamed protein product, partial [Tetraodon nigroviridis]" 94.06 492 98.95 100.00 2.69e-62
EMBL CAF95299 "unnamed protein product [Tetraodon nigroviridis]" 94.06 2730 98.95 100.00 1.80e-58
EMBL CAG04516 "unnamed protein product [Tetraodon nigroviridis]" 94.06 2539 98.95 100.00 2.05e-58
EMBL CBN81203 "Histone acetyltransferase p300 [Dicentrarchus labrax]" 94.06 2912 98.95 100.00 1.00e-58
EMBL CDQ80651 "unnamed protein product [Oncorhynchus mykiss]" 94.06 701 98.95 100.00 1.27e-60
GB AAA18639 "p300 protein [Homo sapiens]" 100.00 2414 100.00 100.00 2.33e-63
GB AAB31182 "p300=transcription coactivator {N-terminal} [mice, Peptide Partial, 688 aa]" 100.00 688 98.02 99.01 1.08e-64
GB AAH53889 "EP300 protein, partial [Homo sapiens]" 100.00 1553 100.00 100.00 8.39e-64
GB AAI44977 "Ep300 protein [Mus musculus]" 100.00 2415 100.00 100.00 2.38e-63
GB AAI50682 "Ep300 protein [Mus musculus]" 100.00 2415 100.00 100.00 2.38e-63
REF NP_001231599 "histone acetyltransferase p300 [Pan troglodytes]" 100.00 2411 100.00 100.00 2.33e-63
REF NP_001253415 "histone acetyltransferase p300 [Macaca mulatta]" 100.00 2414 100.00 100.00 2.65e-63
REF NP_001420 "histone acetyltransferase p300 [Homo sapiens]" 100.00 2414 100.00 100.00 2.33e-63
REF NP_808489 "histone acetyltransferase p300 [Mus musculus]" 100.00 2412 100.00 100.00 2.64e-63
REF XP_001076610 "PREDICTED: histone acetyltransferase p300 isoform X1 [Rattus norvegicus]" 100.00 2413 100.00 100.00 2.33e-63
SP B2RWS6 "RecName: Full=Histone acetyltransferase p300; Short=p300 HAT; AltName: Full=E1A-associated protein p300 [Mus musculus]" 100.00 2412 100.00 100.00 2.64e-63
SP Q09472 "RecName: Full=Histone acetyltransferase p300; Short=p300 HAT; AltName: Full=E1A-associated protein p300 [Homo sapiens]" 100.00 2414 100.00 100.00 2.33e-63
stop_
save_
save_CH1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'p300 cysteine/histidine-rich 1 domain'
_Abbreviation_common CH1
_Molecular_mass .
_Mol_thiol_state 'all other bound'
_Details 'CREB-binding protein (CBP) is a homologue of p300 containing a CH1 domain.'
_Residue_count 101
_Mol_residue_sequence
;
MGSGAHTADPEKRKLIQQQL
VLLLHAHKCQRREQANGEVR
QCNLPHCRTMKNVLNHMTHC
QSGKSCQVAHCASSRQIISH
WKNCTRHDCPVCLPLKNAGD
K
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 323 MET 2 324 GLY 3 325 SER 4 326 GLY 5 327 ALA
6 328 HIS 7 329 THR 8 330 ALA 9 331 ASP 10 332 PRO
11 333 GLU 12 334 LYS 13 335 ARG 14 336 LYS 15 337 LEU
16 338 ILE 17 339 GLN 18 340 GLN 19 341 GLN 20 342 LEU
21 343 VAL 22 344 LEU 23 345 LEU 24 346 LEU 25 347 HIS
26 348 ALA 27 349 HIS 28 350 LYS 29 351 CYS 30 352 GLN
31 353 ARG 32 354 ARG 33 355 GLU 34 356 GLN 35 357 ALA
36 358 ASN 37 359 GLY 38 360 GLU 39 361 VAL 40 362 ARG
41 363 GLN 42 364 CYS 43 365 ASN 44 366 LEU 45 367 PRO
46 368 HIS 47 369 CYS 48 370 ARG 49 371 THR 50 372 MET
51 373 LYS 52 374 ASN 53 375 VAL 54 376 LEU 55 377 ASN
56 378 HIS 57 379 MET 58 380 THR 59 381 HIS 60 382 CYS
61 383 GLN 62 384 SER 63 385 GLY 64 386 LYS 65 387 SER
66 388 CYS 67 389 GLN 68 390 VAL 69 391 ALA 70 392 HIS
71 393 CYS 72 394 ALA 73 395 SER 74 396 SER 75 397 ARG
76 398 GLN 77 399 ILE 78 400 ILE 79 401 SER 80 402 HIS
81 403 TRP 82 404 LYS 83 405 ASN 84 406 CYS 85 407 THR
86 408 ARG 87 409 HIS 88 410 ASP 89 411 CYS 90 412 PRO
91 413 VAL 92 414 CYS 93 415 LEU 94 416 PRO 95 417 LEU
96 418 LYS 97 419 ASN 98 420 ALA 99 421 GLY 100 422 ASP
101 423 LYS
stop_
_Sequence_homology_query_date 2008-08-19
_Sequence_homology_query_revised_last_date 2008-08-19
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
SWISS-PROT Q09472 'Histone acetyltransferase p300 (E1A-associated protein p300)' 100.00 2414 100.00 100.00 5.52e-49
REF XP_001168324 'PREDICTED: hypothetical protein isoform 1 [Pan troglodytes]' 100.00 1393 100.00 100.00 1.60e-56
REF XP_001102844 'PREDICTED: E1A binding protein p300 [Macaca mulatta]' 100.00 2414 100.00 100.00 5.61e-49
REF XP_001076610 'PREDICTED: similar to E1A binding protein p300 [Rattus norvegicus]' 100.00 2413 100.00 100.00 4.67e-49
REF NP_808489 'E1A binding protein p300 [Mus musculus]' 100.00 2412 100.00 100.00 4.79e-49
REF NP_001420 'E1A binding protein p300 [Homo sapiens]' 100.00 2414 100.00 100.00 5.61e-49
GenBank EAW60408 'E1A binding protein p300 [Homo sapiens]' 100.00 2414 100.00 100.00 5.61e-49
GenBank AAI50682 'Ep300 protein [Mus musculus]' 100.00 2415 100.00 100.00 4.60e-49
GenBank AAH53889 'EP300 protein [Homo sapiens]' 100.00 1553 100.00 100.00 2.24e-56
GenBank AAB31182 'p300=transcription coactivator {N-terminal} [mice, Peptide Partial, 688 aa]' 100.00 688 98.02 99.01 1.18e-55
GenBank AAA18639 'p300 protein' 100.00 2414 100.00 100.00 5.52e-49
EMBL CAH73688 'E1A binding protein p300 [Homo sapiens]' 100.00 2414 100.00 100.00 5.61e-49
EMBL CAH70384 'E1A binding protein p300 [Homo sapiens]' 100.00 2414 100.00 100.00 5.61e-49
EMBL CAG04516 'unnamed protein product [Tetraodon nigroviridis]' 90.10 2539 98.90 100.00 4.88e-42
EMBL CAF95299 'unnamed protein product [Tetraodon nigroviridis]' 94.06 2730 98.95 100.00 8.82e-45
EMBL CAF93378 'unnamed protein product [Tetraodon nigroviridis]' 94.06 492 98.95 100.00 1.31e-52
DBJ BAG10860 'E1A binding protein p300 [synthetic construct]' 100.00 2414 100.00 100.00 5.61e-49
DBJ BAC31311 'unnamed protein product [Mus musculus]' 100.00 714 100.00 100.00 8.22e-57
PDB 1P4Q 'Solution Structure Of The Cited2 Transactivation Domain In Complex With The P300 Ch1 Domain' 100.00 101 100.00 100.00 2.88e-52
PDB 1L3E 'Nmr Structures Of The Hif-1alpha CtadP300 CH1 COMPLEX' 100.00 101 100.00 100.00 2.88e-52
BMRB 5788 'p300 cysteine/histidine-rich 1 domain' 100.00 101 100.00 100.00 2.88e-52
stop_
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ZN (ZINC ION)"
_BMRB_code .
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Jun 10 14:23:33 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN . 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$CTAD Human 9606 Eukaryota Metazoa Homo sapiens
$CH1 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
_Details
$CTAD 'recombinant technology' . . . . . 'GST-CTAD is coexpressed with CH1, purified as a complex, and the GST removed by proteolysis.'
$CH1 'recombinant technology' . . . . . 'GST-CTAD is coexpressed with CH1, purified as a complex, and the GST removed by proteolysis.'
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
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$CTAD 1.0 mM 0.8 1.2 .
$CH1 1.0 mM 0.8 1.2 .
ZnSO4 0.1 mM . . .
DTT 1 mM . . .
NaCl 100 mM . . .
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$CTAD 1.0 mM 0.8 1.2 [U-15N]
$CH1 1.0 mM 0.8 1.2 [U-15N]
ZnSO4 0.1 mM . . .
DTT 1 mM . . .
NaCl 100 mM . . .
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Concentration_min_value
_Concentration_max_value
_Isotopic_labeling
$CTAD 1.0 mM 0.8 1.2 '[U-13C; U-15N]'
$CH1 1.0 mM 0.8 1.2 '[U-13C; U-15N]'
ZnSO4 0.1 mM . . .
DTT 1 mM . . .
NaCl 100 mM . . .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 500
_Details .
save_
save_NMR_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model UnityInova
_Field_strength 750
_Details .
save_
save_NMR_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model Unity
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save__1
_Saveframe_category NMR_applied_experiment
_Sample_label .
save_
#######################
# Sample conditions #
#######################
save_Condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.0 0.2 n/a
temperature 298 1 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
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation
DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation
DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $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_shift_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
$sample_2
$sample_3
stop_
_Sample_conditions_label $Condition_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'HIF-1alpha C-terminal activation 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 . 1 GLY N N 114.327 0.000 .
2 . 1 GLY H H 8.285 0.000 .
3 . 1 GLY CA C 44.878 0.000 .
4 . 1 GLY C C 174.688 0.008 .
5 . 2 SER N N 115.662 0.000 .
6 . 2 SER H H 8.397 0.000 .
7 . 2 SER CA C 58.628 0.000 .
8 . 2 SER HA H 4.486 0.002 .
9 . 2 SER CB C 63.316 0.000 .
10 . 2 SER C C 174.864 0.000 .
11 . 3 MET N N 121.568 0.000 .
12 . 3 MET H H 8.600 0.003 .
13 . 3 MET CA C 55.503 0.000 .
14 . 3 MET HA H 4.532 0.002 .
15 . 3 MET CB C 32.378 0.000 .
16 . 3 MET HB2 H 2.100 0.003 .
17 . 3 MET HB3 H 2.006 0.003 .
18 . 3 MET CG C 32.066 0.000 .
19 . 3 MET HG2 H 2.595 0.003 .
20 . 3 MET HG3 H 2.512 0.004 .
21 . 3 MET C C 176.004 0.011 .
22 . 4 ASP N N 120.686 0.010 .
23 . 4 ASP H H 8.210 0.002 .
24 . 4 ASP CA C 54.253 0.000 .
25 . 4 ASP HA H 4.582 0.001 .
26 . 4 ASP CB C 40.816 0.000 .
27 . 4 ASP HB2 H 2.692 0.034 .
28 . 4 ASP HB3 H 2.632 0.003 .
29 . 4 ASP C C 176.389 0.002 .
30 . 5 GLU N N 121.565 0.008 .
31 . 5 GLU H H 8.395 0.001 .
32 . 5 GLU CA C 56.753 0.000 .
33 . 5 GLU HA H 4.318 0.002 .
34 . 5 GLU CB C 29.930 0.117 .
35 . 5 GLU HB2 H 2.121 0.009 .
36 . 5 GLU HB3 H 1.963 0.004 .
37 . 5 GLU CG C 35.816 0.000 .
38 . 5 GLU C C 176.699 0.000 .
39 . 6 SER N N 116.755 0.000 .
40 . 6 SER H H 8.392 0.003 .
41 . 6 SER CA C 58.628 0.000 .
42 . 6 SER HA H 4.470 0.001 .
43 . 6 SER CB C 63.628 0.000 .
44 . 6 SER HB2 H 4.016 0.000 .
45 . 6 SER HB3 H 3.952 0.001 .
46 . 6 SER C C 175.020 0.029 .
47 . 7 GLY N N 110.188 0.010 .
48 . 7 GLY H H 8.392 0.002 .
49 . 7 GLY CA C 44.878 0.000 .
50 . 7 GLY C C 173.126 0.002 .
51 . 8 LEU N N 123.974 0.000 .
52 . 8 LEU H H 7.998 0.002 .
53 . 8 LEU CA C 52.066 0.000 .
54 . 8 LEU HA H 4.293 0.002 .
55 . 8 LEU CB C 42.378 0.000 .
56 . 8 LEU HB2 H 1.386 0.005 .
57 . 8 LEU HB3 H 0.560 0.003 .
58 . 8 LEU CG C 26.128 0.000 .
59 . 8 LEU HG H 1.074 0.003 .
60 . 8 LEU HD1 H 0.385 0.001 1
61 . 8 LEU HD2 H 0.200 0.001 1
62 . 8 LEU CD1 C 23.941 0.000 .
63 . 8 LEU CD2 C 24.462 0.233 .
64 . 8 LEU C C 174.525 0.000 .
65 . 9 PRO CD C 50.503 0.000 .
66 . 9 PRO CA C 62.691 0.000 .
67 . 9 PRO HA H 4.290 0.001 .
68 . 9 PRO CB C 31.753 0.000 .
69 . 9 PRO HB2 H 2.244 0.004 .
70 . 9 PRO HB3 H 1.699 0.001 .
71 . 9 PRO CG C 27.378 0.000 .
72 . 9 PRO HG2 H 2.054 0.007 .
73 . 9 PRO HG3 H 1.963 0.001 .
74 . 9 PRO HD2 H 3.842 0.001 .
75 . 9 PRO HD3 H 3.386 0.002 .
76 . 9 PRO C C 176.286 0.000 .
77 . 10 GLN N N 121.579 0.029 .
78 . 10 GLN H H 8.530 0.007 .
79 . 10 GLN CA C 54.878 0.000 .
80 . 10 GLN HA H 4.456 0.003 .
81 . 10 GLN CB C 28.316 0.000 .
82 . 10 GLN HB2 H 1.888 0.000 .
83 . 10 GLN HB3 H 1.838 0.007 .
84 . 10 GLN CG C 34.253 0.000 .
85 . 10 GLN NE2 N 112.380 0.000 .
86 . 10 GLN HE21 H 7.600 0.001 .
87 . 10 GLN HE22 H 6.859 0.007 .
88 . 10 GLN C C 175.763 0.021 .
89 . 11 LEU N N 128.349 0.000 .
90 . 11 LEU H H 9.182 0.004 .
91 . 11 LEU CA C 53.003 0.000 .
92 . 11 LEU HA H 4.702 0.002 .
93 . 11 LEU CB C 43.628 0.000 .
94 . 11 LEU HB2 H 1.538 0.002 .
95 . 11 LEU HB3 H 1.354 0.001 .
96 . 11 LEU CG C 26.753 0.000 .
97 . 11 LEU HG H 1.709 0.003 .
98 . 11 LEU HD1 H 0.825 0.002 1
99 . 11 LEU HD2 H 0.736 0.001 1
100 . 11 LEU CD1 C 23.003 0.000 .
101 . 11 LEU CD2 C 26.753 0.000 .
102 . 11 LEU C C 177.480 0.025 .
103 . 12 THR N N 112.818 0.000 .
104 . 12 THR H H 9.241 0.003 .
105 . 12 THR CA C 59.878 0.000 .
106 . 12 THR HA H 4.601 0.001 .
107 . 12 THR CB C 71.441 0.000 .
108 . 12 THR HB H 4.689 0.001 .
109 . 12 THR HG2 H 1.351 0.002 1
110 . 12 THR CG2 C 21.656 0.000 .
111 . 12 THR C C 176.493 0.000 .
112 . 13 SER N N 117.191 0.007 .
113 . 13 SER H H 9.129 0.007 .
114 . 13 SER CA C 62.331 0.000 .
115 . 13 SER HA H 4.747 0.000 .
116 . 13 SER C C 176.830 0.000 .
117 . 14 TYR N N 121.576 0.025 .
118 . 14 TYR H H 8.069 0.002 .
119 . 14 TYR CA C 61.128 0.000 .
120 . 14 TYR HA H 4.180 0.001 .
121 . 14 TYR CB C 38.003 0.000 .
122 . 14 TYR HB2 H 3.095 0.003 .
123 . 14 TYR HB3 H 2.790 0.002 .
124 . 14 TYR C C 176.723 0.003 .
125 . 15 ASP N N 117.630 0.000 .
126 . 15 ASP H H 7.944 0.003 .
127 . 15 ASP CA C 57.378 0.000 .
128 . 15 ASP HA H 4.197 0.001 .
129 . 15 ASP CB C 41.441 0.000 .
130 . 15 ASP HB2 H 3.082 0.004 .
131 . 15 ASP HB3 H 2.222 0.001 .
132 . 15 ASP C C 180.367 0.025 .
133 . 16 CYS N N 117.849 0.000 .
134 . 16 CYS H H 7.614 0.004 .
135 . 16 CYS CA C 63.316 0.000 .
136 . 16 CYS HA H 3.983 0.002 .
137 . 16 CYS CB C 27.066 0.000 .
138 . 16 CYS HB2 H 3.056 0.003 .
139 . 16 CYS HB3 H 2.548 0.002 .
140 . 16 CYS C C 174.957 0.034 .
141 . 17 GLU N N 122.224 0.000 .
142 . 17 GLU H H 8.520 0.003 .
143 . 17 GLU CA C 58.941 0.000 .
144 . 17 GLU HA H 3.848 0.002 .
145 . 17 GLU CB C 29.253 0.000 .
146 . 17 GLU HB2 H 2.062 0.001 .
147 . 17 GLU HB3 H 1.862 0.000 .
148 . 17 GLU CG C 36.441 0.000 .
149 . 17 GLU HG2 H 2.312 0.000 .
150 . 17 GLU HG3 H 2.084 0.000 .
151 . 17 GLU C C 178.578 0.016 .
152 . 18 VAL N N 113.701 0.025 .
153 . 18 VAL H H 7.576 0.004 .
154 . 18 VAL CA C 64.566 0.000 .
155 . 18 VAL HA H 3.636 0.001 .
156 . 18 VAL CB C 32.378 0.000 .
157 . 18 VAL HB H 1.656 0.003 .
158 . 18 VAL HG1 H 0.584 0.001 1
159 . 18 VAL HG2 H 0.527 0.001 1
160 . 18 VAL CG1 C 20.503 0.000 .
161 . 18 VAL CG2 C 21.441 0.000 .
162 . 18 VAL C C 177.311 0.009 .
163 . 19 ASN N N 113.253 0.006 .
164 . 19 ASN H H 7.054 0.003 .
165 . 19 ASN CA C 54.878 0.000 .
166 . 19 ASN HA H 4.521 0.001 .
167 . 19 ASN CB C 41.128 0.000 .
168 . 19 ASN HB2 H 2.471 0.001 .
169 . 19 ASN HB3 H 2.174 0.002 .
170 . 19 ASN ND2 N 115.443 0.000 .
171 . 19 ASN HD21 H 7.894 0.002 .
172 . 19 ASN HD22 H 7.671 0.004 .
173 . 19 ASN C C 173.421 0.017 .
174 . 20 ALA N N 122.880 0.000 .
175 . 20 ALA H H 8.120 0.002 .
176 . 20 ALA CA C 49.566 0.000 .
177 . 20 ALA HA H 4.080 0.002 .
178 . 20 ALA HB H 0.861 0.001 1
179 . 20 ALA CB C 17.378 0.000 .
180 . 20 ALA C C 171.575 0.000 .
181 . 21 PRO CD C 49.878 0.000 .
182 . 21 PRO CA C 63.316 0.000 .
183 . 21 PRO HA H 4.447 0.002 .
184 . 21 PRO CB C 32.378 0.000 .
185 . 21 PRO HB2 H 2.432 0.001 .
186 . 21 PRO HB3 H 1.872 0.002 .
187 . 21 PRO CG C 27.066 0.000 .
188 . 21 PRO HD2 H 3.323 0.002 .
189 . 21 PRO HD3 H 3.183 0.036 .
190 . 21 PRO C C 178.949 0.000 .
191 . 22 ILE N N 122.662 0.000 .
192 . 22 ILE H H 8.984 0.002 .
193 . 22 ILE CA C 61.128 0.000 .
194 . 22 ILE HA H 4.226 0.001 .
195 . 22 ILE CB C 39.253 0.000 .
196 . 22 ILE HB H 1.730 0.001 .
197 . 22 ILE HG2 H 0.818 0.001 1
198 . 22 ILE CG2 C 18.316 0.000 .
199 . 22 ILE CG1 C 27.378 0.000 .
200 . 22 ILE HD1 H 0.841 0.008 1
201 . 22 ILE CD1 C 14.566 0.000 .
202 . 22 ILE C C 175.745 0.012 .
203 . 23 GLN N N 127.037 0.000 .
204 . 23 GLN H H 8.583 0.002 .
205 . 23 GLN CA C 56.128 0.000 .
206 . 23 GLN HA H 4.284 0.001 .
207 . 23 GLN CB C 29.253 0.000 .
208 . 23 GLN HB2 H 2.349 0.009 .
209 . 23 GLN HB3 H 2.035 0.001 .
210 . 23 GLN CG C 33.941 0.000 .
211 . 23 GLN HG2 H 2.362 0.001 .
212 . 23 GLN HG3 H 2.310 0.001 .
213 . 23 GLN NE2 N 113.255 0.000 .
214 . 23 GLN HE21 H 7.520 0.003 .
215 . 23 GLN HE22 H 7.108 0.004 .
216 . 23 GLN C C 176.176 0.013 .
217 . 24 GLY N N 110.412 0.000 .
218 . 24 GLY H H 8.488 0.003 .
219 . 24 GLY CA C 45.503 0.000 .
220 . 24 GLY HA2 H 4.059 0.002 .
221 . 24 GLY HA3 H 3.789 0.001 .
222 . 24 GLY C C 174.366 0.000 .
223 . 25 SER N N 115.880 0.000 .
224 . 25 SER H H 8.340 0.009 .
225 . 25 SER CA C 58.316 0.000 .
226 . 25 SER HA H 4.243 0.001 .
227 . 25 SER CB C 62.378 0.000 .
228 . 25 SER HB2 H 3.915 0.000 .
229 . 25 SER HB3 H 3.869 0.000 .
230 . 25 SER C C 174.874 0.000 .
231 . 26 ARG N N 119.599 0.000 .
232 . 26 ARG H H 7.823 0.004 .
233 . 26 ARG CA C 56.128 0.000 .
234 . 26 ARG HA H 4.156 0.001 .
235 . 26 ARG CB C 29.878 0.000 .
236 . 26 ARG HB2 H 1.903 0.001 .
237 . 26 ARG HB3 H 1.720 0.002 .
238 . 26 ARG CG C 27.066 0.000 .
239 . 26 ARG HG2 H 1.729 0.000 .
240 . 26 ARG CD C 43.003 0.000 .
241 . 26 ARG C C 175.340 0.038 .
242 . 27 ASN N N 117.202 0.026 .
243 . 27 ASN H H 8.045 0.003 .
244 . 27 ASN CA C 52.691 0.000 .
245 . 27 ASN HA H 4.660 0.002 .
246 . 27 ASN CB C 39.253 0.000 .
247 . 27 ASN HB2 H 2.780 0.002 .
248 . 27 ASN HB3 H 2.602 0.001 .
249 . 27 ASN ND2 N 112.818 0.000 .
250 . 27 ASN HD21 H 7.557 0.002 .
251 . 27 ASN HD22 H 6.943 0.005 .
252 . 27 ASN C C 174.581 0.013 .
253 . 28 LEU N N 120.693 0.000 .
254 . 28 LEU H H 8.068 0.004 .
255 . 28 LEU CA C 54.253 0.000 .
256 . 28 LEU HA H 4.190 0.001 .
257 . 28 LEU CB C 42.066 0.000 .
258 . 28 LEU HB2 H 1.584 0.002 .
259 . 28 LEU HB3 H 1.290 0.004 .
260 . 28 LEU CG C 27.066 0.000 .
261 . 28 LEU HG H 1.630 0.002 .
262 . 28 LEU HD1 H 0.894 0.001 1
263 . 28 LEU HD2 H 0.846 0.001 1
264 . 28 LEU CD1 C 24.878 0.000 .
265 . 28 LEU CD2 C 23.941 0.000 .
266 . 28 LEU C C 177.265 0.013 .
267 . 29 LEU N N 123.764 0.026 .
268 . 29 LEU H H 7.940 0.001 .
269 . 29 LEU CA C 54.878 0.000 .
270 . 29 LEU HA H 4.225 0.003 .
271 . 29 LEU CB C 43.003 0.000 .
272 . 29 LEU HB2 H 1.574 0.004 .
273 . 29 LEU HB3 H 1.020 0.016 .
274 . 29 LEU CG C 26.753 0.000 .
275 . 29 LEU HG H 1.843 0.003 .
276 . 29 LEU HD1 H 0.824 0.001 1
277 . 29 LEU HD2 H 0.826 0.000 1
278 . 29 LEU CD1 C 26.441 0.000 .
279 . 29 LEU CD2 C 22.691 0.000 .
280 . 29 LEU C C 175.626 0.020 .
281 . 30 GLN N N 116.104 0.021 .
282 . 30 GLN H H 8.523 0.006 .
283 . 30 GLN CA C 53.628 0.000 .
284 . 30 GLN HA H 4.321 0.001 .
285 . 30 GLN CB C 32.378 0.000 .
286 . 30 GLN HB2 H 2.089 0.001 .
287 . 30 GLN HB3 H 1.881 0.002 .
288 . 30 GLN CG C 32.691 0.000 .
289 . 30 GLN HG2 H 2.569 0.000 .
290 . 30 GLN HG3 H 2.335 0.000 .
291 . 30 GLN NE2 N 111.505 0.000 .
292 . 30 GLN HE21 H 7.347 0.002 .
293 . 30 GLN HE22 H 6.743 0.003 .
294 . 30 GLN C C 175.921 0.000 .
295 . 31 GLY N N 109.764 0.026 .
296 . 31 GLY H H 8.926 0.002 .
297 . 31 GLY CA C 46.441 0.000 .
298 . 31 GLY HA2 H 4.101 0.001 .
299 . 31 GLY HA3 H 3.923 0.001 .
300 . 31 GLY C C 175.466 0.001 .
301 . 32 GLU N N 124.191 0.007 .
302 . 32 GLU H H 9.041 0.006 .
303 . 32 GLU CA C 58.941 0.000 .
304 . 32 GLU HA H 3.923 0.001 .
305 . 32 GLU CB C 28.941 0.000 .
306 . 32 GLU CG C 36.441 0.000 .
307 . 32 GLU C C 178.092 0.005 .
308 . 33 GLU N N 117.412 0.001 .
309 . 33 GLU H H 8.067 0.004 .
310 . 33 GLU CA C 58.941 0.000 .
311 . 33 GLU HA H 3.965 0.002 .
312 . 33 GLU CB C 29.878 0.000 .
313 . 33 GLU CG C 36.441 0.000 .
314 . 33 GLU HG2 H 2.505 0.002 .
315 . 33 GLU HG3 H 2.350 0.000 .
316 . 33 GLU C C 179.832 0.028 .
317 . 34 LEU N N 118.730 0.023 .
318 . 34 LEU H H 7.335 0.003 .
319 . 34 LEU CA C 57.691 0.000 .
320 . 34 LEU HA H 3.764 0.001 .
321 . 34 LEU CB C 42.066 0.000 .
322 . 34 LEU HB2 H 1.668 0.002 .
323 . 34 LEU HB3 H 1.365 0.001 .
324 . 34 LEU CG C 27.378 0.000 .
325 . 34 LEU HG H 1.270 0.001 .
326 . 34 LEU HD1 H 0.904 0.001 1
327 . 34 LEU HD2 H 0.834 0.003 1
328 . 34 LEU CD1 C 25.566 0.125 .
329 . 34 LEU CD2 C 25.816 0.000 .
330 . 34 LEU C C 176.505 0.013 .
331 . 35 LEU N N 115.005 0.000 .
332 . 35 LEU H H 6.670 0.004 .
333 . 35 LEU CA C 56.753 0.000 .
334 . 35 LEU HA H 3.662 0.002 .
335 . 35 LEU CB C 40.503 0.000 .
336 . 35 LEU HB2 H 1.931 0.003 .
337 . 35 LEU HB3 H 1.415 0.002 .
338 . 35 LEU CG C 27.066 0.000 .
339 . 35 LEU HG H 1.576 0.001 .
340 . 35 LEU HD1 H 1.001 0.002 1
341 . 35 LEU HD2 H 0.749 0.001 1
342 . 35 LEU CD1 C 25.191 0.000 .
343 . 35 LEU CD2 C 22.066 0.000 .
344 . 35 LEU C C 178.936 0.013 .
345 . 36 ARG N N 116.543 0.022 .
346 . 36 ARG H H 7.909 0.002 .
347 . 36 ARG CA C 58.628 0.000 .
348 . 36 ARG HA H 4.141 0.000 .
349 . 36 ARG CB C 30.191 0.000 .
350 . 36 ARG HB2 H 1.871 0.000 .
351 . 36 ARG CG C 27.378 0.000 .
352 . 36 ARG HG2 H 1.812 0.002 .
353 . 36 ARG HG3 H 1.773 0.001 .
354 . 36 ARG CD C 43.316 0.000 .
355 . 36 ARG C C 179.359 0.020 .
356 . 37 ALA N N 119.378 0.006 .
357 . 37 ALA H H 7.453 0.003 .
358 . 37 ALA CA C 54.253 0.000 .
359 . 37 ALA HA H 4.117 0.001 .
360 . 37 ALA HB H 1.464 0.001 1
361 . 37 ALA CB C 18.941 0.000 .
362 . 37 ALA C C 179.039 0.011 .
363 . 38 LEU N N 115.443 0.000 .
364 . 38 LEU H H 7.176 0.003 .
365 . 38 LEU CA C 55.503 0.000 .
366 . 38 LEU HA H 4.203 0.001 .
367 . 38 LEU CB C 41.128 0.000 .
368 . 38 LEU HB3 H 1.363 0.000 .
369 . 38 LEU CG C 26.066 0.306 .
370 . 38 LEU HG H 1.776 0.001 .
371 . 38 LEU HD1 H 0.606 0.002 1
372 . 38 LEU HD2 H 0.509 0.001 1
373 . 38 LEU CD1 C 26.441 0.000 .
374 . 38 LEU CD2 C 22.378 0.000 .
375 . 38 LEU C C 177.062 0.012 .
376 . 39 ASP N N 118.505 0.000 .
377 . 39 ASP H H 7.593 0.005 .
378 . 39 ASP CA C 55.191 0.000 .
379 . 39 ASP HA H 4.764 0.000 .
380 . 39 ASP CB C 41.128 0.000 .
381 . 39 ASP HB2 H 2.846 0.000 .
382 . 39 ASP HB3 H 2.810 0.006 .
383 . 39 ASP C C 176.607 0.013 .
384 . 40 GLN N N 119.599 0.000 .
385 . 40 GLN H H 7.913 0.002 .
386 . 40 GLN CA C 56.128 0.000 .
387 . 40 GLN HA H 4.411 0.000 .
388 . 40 GLN CB C 29.566 0.000 .
389 . 40 GLN HB2 H 2.227 0.001 .
390 . 40 GLN HB3 H 2.143 0.001 .
391 . 40 GLN CG C 34.253 0.000 .
392 . 40 GLN HG2 H 2.434 0.001 .
393 . 40 GLN HG3 H 2.401 0.001 .
394 . 40 GLN C C 175.612 0.000 .
395 . 41 VAL N N 120.474 0.000 .
396 . 41 VAL H H 8.129 0.004 .
397 . 41 VAL CA C 62.066 0.000 .
398 . 41 VAL HA H 4.239 0.001 .
399 . 41 VAL CB C 32.691 0.000 .
400 . 41 VAL HB H 2.184 0.001 .
401 . 41 VAL CG1 C 21.128 0.000 .
402 . 41 VAL CG2 C 20.191 0.000 .
403 . 41 VAL HG1 H 0.982 0.001 1
404 . 41 VAL HG2 H 0.982 0.001 1
405 . 41 VAL C C 174.991 0.000 .
406 . 42 ASN N N 127.474 0.000 .
407 . 42 ASN H H 8.024 0.001 .
408 . 42 ASN CA C 54.566 0.000 .
409 . 42 ASN HA H 4.473 0.001 .
410 . 42 ASN CB C 40.191 0.000 .
411 . 42 ASN HB2 H 2.766 0.002 .
412 . 42 ASN HB3 H 2.645 0.004 .
413 . 42 ASN ND2 N 112.599 0.000 .
414 . 42 ASN HD21 H 7.392 0.002 .
415 . 42 ASN HD22 H 6.744 0.008 .
416 . 42 ASN C C 179.494 0.000 .
stop_
save_
save_shift_set_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
$sample_2
$sample_3
stop_
_Sample_conditions_label $Condition_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name 'p300 cysteine/histidine-rich 1 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 . 3 SER CA C 58.003 0.000 .
2 . 3 SER HA H 4.491 0.002 .
3 . 3 SER CB C 63.316 0.000 .
4 . 3 SER C C 175.184 0.000 .
5 . 4 GLY N N 110.851 0.003 .
6 . 4 GLY H H 8.456 0.003 .
7 . 4 GLY CA C 44.878 0.000 .
8 . 4 GLY C C 173.822 0.012 .
9 . 5 ALA N N 123.317 0.002 .
10 . 5 ALA H H 8.094 0.003 .
11 . 5 ALA CA C 52.066 0.000 .
12 . 5 ALA HA H 4.267 0.000 .
13 . 5 ALA HB H 1.312 0.001 1
14 . 5 ALA CB C 18.941 0.000 .
15 . 5 ALA C C 177.544 0.039 .
16 . 6 HIS N N 118.305 0.025 .
17 . 6 HIS H H 8.365 0.001 .
18 . 6 HIS CA C 55.191 0.000 .
19 . 6 HIS HA H 4.774 0.001 .
20 . 6 HIS CB C 29.566 0.000 .
21 . 6 HIS HB2 H 3.270 0.000 .
22 . 6 HIS HB3 H 3.154 0.004 .
23 . 6 HIS C C 174.876 0.030 .
24 . 7 THR N N 115.468 0.044 .
25 . 7 THR H H 8.039 0.014 .
26 . 7 THR CA C 61.441 0.000 .
27 . 7 THR HA H 4.322 0.001 .
28 . 7 THR CB C 69.566 0.000 .
29 . 7 THR HB H 4.147 0.000 .
30 . 7 THR HG2 H 1.205 0.000 1
31 . 7 THR CG2 C 21.441 0.000 .
32 . 7 THR C C 173.657 0.025 .
33 . 8 ALA N N 126.612 0.031 .
34 . 8 ALA H H 8.375 0.006 .
35 . 8 ALA CA C 52.378 0.000 .
36 . 8 ALA HA H 4.167 0.001 .
37 . 8 ALA HB H 1.350 0.002 1
38 . 8 ALA CB C 18.941 0.000 .
39 . 8 ALA C C 176.854 0.000 .
40 . 9 ASP N N 121.578 0.028 .
41 . 9 ASP H H 8.666 0.002 .
42 . 9 ASP CA C 51.128 0.000 .
43 . 9 ASP HA H 5.057 0.001 .
44 . 9 ASP CB C 42.691 0.000 .
45 . 9 ASP HB2 H 2.770 0.001 .
46 . 9 ASP HB3 H 2.675 0.006 .
47 . 9 ASP C C 174.680 0.000 .
48 . 10 PRO CD C 51.128 0.000 .
49 . 10 PRO CA C 64.878 0.000 .
50 . 10 PRO HA H 4.205 0.000 .
51 . 10 PRO CB C 32.378 0.000 .
52 . 10 PRO HB2 H 2.399 0.006 .
53 . 10 PRO HB3 H 2.036 0.000 .
54 . 10 PRO CG C 27.378 0.000 .
55 . 10 PRO HG2 H 2.154 0.002 .
56 . 10 PRO HG3 H 2.038 0.001 .
57 . 10 PRO HD2 H 3.941 0.004 .
58 . 10 PRO HD3 H 3.875 0.004 .
59 . 10 PRO C C 178.898 0.000 .
60 . 11 GLU N N 118.501 0.008 .
61 . 11 GLU H H 8.297 0.003 .
62 . 11 GLU CA C 58.628 0.000 .
63 . 11 GLU HA H 4.145 0.002 .
64 . 11 GLU CB C 28.941 0.000 .
65 . 11 GLU HB2 H 2.122 0.001 .
66 . 11 GLU HB3 H 2.087 0.001 .
67 . 11 GLU CG C 35.816 0.000 .
68 . 11 GLU HG2 H 2.351 0.000 .
69 . 11 GLU HG3 H 2.236 0.000 .
70 . 11 GLU C C 179.417 0.013 .
71 . 12 LYS N N 118.946 0.011 .
72 . 12 LYS H H 7.791 0.003 .
73 . 12 LYS CA C 58.003 0.000 .
74 . 12 LYS HA H 3.985 0.004 .
75 . 12 LYS CB C 31.753 0.000 .
76 . 12 LYS CG C 25.191 0.000 .
77 . 12 LYS CD C 28.316 0.000 .
78 . 12 LYS CE C 41.753 0.000 .
79 . 12 LYS C C 178.860 0.013 .
80 . 13 ARG N N 117.856 0.024 .
81 . 13 ARG H H 8.123 0.005 .
82 . 13 ARG CA C 60.503 0.000 .
83 . 13 ARG HA H 3.655 0.000 .
84 . 13 ARG CB C 29.878 0.000 .
85 . 13 ARG HB2 H 1.944 0.004 .
86 . 13 ARG HB3 H 1.791 0.001 .
87 . 13 ARG CG C 28.003 0.000 .
88 . 13 ARG CD C 43.941 0.000 .
89 . 13 ARG C C 177.478 0.002 .
90 . 14 LYS N N 118.734 0.028 .
91 . 14 LYS H H 7.514 0.005 .
92 . 14 LYS CA C 59.253 0.000 .
93 . 14 LYS HA H 4.143 0.000 .
94 . 14 LYS CB C 31.753 0.000 .
95 . 14 LYS CG C 24.566 0.000 .
96 . 14 LYS HG2 H 1.576 0.002 .
97 . 14 LYS HG3 H 1.406 0.001 .
98 . 14 LYS CD C 28.941 0.000 .
99 . 14 LYS CE C 41.753 0.000 .
100 . 14 LYS C C 178.876 0.003 .
101 . 15 LEU N N 118.736 0.031 .
102 . 15 LEU H H 7.530 0.004 .
103 . 15 LEU CA C 58.316 0.000 .
104 . 15 LEU HA H 4.079 0.001 .
105 . 15 LEU CB C 41.753 0.000 .
106 . 15 LEU HB2 H 2.053 0.000 .
107 . 15 LEU HB3 H 1.510 0.002 .
108 . 15 LEU CG C 26.441 0.000 .
109 . 15 LEU HG H 1.941 0.004 .
110 . 15 LEU CD1 C 25.503 0.000 .
111 . 15 LEU CD2 C 22.066 0.000 .
112 . 15 LEU HD1 H 0.863 0.001 1
113 . 15 LEU HD2 H 0.863 0.001 1
114 . 15 LEU C C 180.354 0.014 .
115 . 16 ILE N N 122.003 0.006 .
116 . 16 ILE H H 8.261 0.002 .
117 . 16 ILE CA C 65.503 0.000 .
118 . 16 ILE HA H 3.380 0.001 .
119 . 16 ILE CB C 37.378 0.000 .
120 . 16 ILE HB H 1.957 0.001 .
121 . 16 ILE HG2 H 0.735 0.003 1
122 . 16 ILE CG2 C 17.066 0.000 .
123 . 16 ILE CG1 C 30.503 0.000 .
124 . 16 ILE HD1 H 0.646 0.002 1
125 . 16 ILE CD1 C 15.816 0.000 .
126 . 16 ILE C C 176.822 0.000 .
127 . 17 GLN N N 119.160 0.006 .
128 . 17 GLN H H 8.219 0.003 .
129 . 17 GLN CA C 59.566 0.000 .
130 . 17 GLN HA H 3.798 0.001 .
131 . 17 GLN CB C 29.253 0.000 .
132 . 17 GLN HB2 H 2.398 0.002 .
133 . 17 GLN HB3 H 2.233 0.001 .
134 . 17 GLN CG C 34.253 0.000 .
135 . 17 GLN HG2 H 2.709 0.002 .
136 . 17 GLN HG3 H 2.404 0.005 .
137 . 17 GLN NE2 N 111.068 0.000 .
138 . 17 GLN HE21 H 7.698 0.005 .
139 . 17 GLN HE22 H 6.642 0.005 .
140 . 17 GLN C C 177.564 0.043 .
141 . 18 GLN N N 116.535 0.007 .
142 . 18 GLN H H 8.220 0.003 .
143 . 18 GLN CA C 58.316 0.000 .
144 . 18 GLN HA H 3.951 0.000 .
145 . 18 GLN CB C 28.316 0.000 .
146 . 18 GLN HB2 H 2.156 0.001 .
147 . 18 GLN HB3 H 2.074 0.000 .
148 . 18 GLN CG C 34.566 0.000 .
149 . 18 GLN HG2 H 2.510 0.000 .
150 . 18 GLN HG3 H 2.401 0.001 .
151 . 18 GLN NE2 N 111.068 0.000 .
152 . 18 GLN HE21 H 7.762 0.002 .
153 . 18 GLN HE22 H 6.898 0.005 .
154 . 18 GLN C C 178.169 0.021 .
155 . 19 GLN N N 121.787 0.000 .
156 . 19 GLN H H 8.315 0.000 .
157 . 19 GLN CA C 59.878 0.000 .
158 . 19 GLN HA H 3.803 0.004 .
159 . 19 GLN CB C 27.378 0.000 .
160 . 19 GLN CG C 34.253 0.000 .
161 . 19 GLN HG2 H 2.087 0.000 .
162 . 19 GLN HG3 H 2.062 0.010 .
163 . 19 GLN C C 177.353 0.021 .
164 . 20 LEU N N 120.481 0.024 .
165 . 20 LEU H H 8.406 0.002 .
166 . 20 LEU CA C 58.316 0.000 .
167 . 20 LEU HA H 3.952 0.002 .
168 . 20 LEU CB C 40.816 0.000 .
169 . 20 LEU HB2 H 1.957 0.004 .
170 . 20 LEU HB3 H 1.275 0.005 .
171 . 20 LEU CG C 26.441 0.000 .
172 . 20 LEU HG H 1.077 0.001 .
173 . 20 LEU HD1 H 0.349 0.053 1
174 . 20 LEU HD2 H 0.662 0.005 1
175 . 20 LEU CD1 C 20.503 0.000 .
176 . 20 LEU CD2 C 26.128 0.000 .
177 . 20 LEU C C 177.479 0.000 .
178 . 21 VAL N N 118.287 0.000 .
179 . 21 VAL H H 8.315 0.001 .
180 . 21 VAL CA C 67.066 0.000 .
181 . 21 VAL HA H 3.444 0.001 .
182 . 21 VAL CB C 31.753 0.000 .
183 . 21 VAL HB H 2.157 0.003 .
184 . 21 VAL HG1 H 0.912 0.003 1
185 . 21 VAL HG2 H 1.077 0.002 1
186 . 21 VAL CG1 C 20.816 0.000 .
187 . 21 VAL CG2 C 23.628 0.000 .
188 . 21 VAL C C 179.425 0.000 .
189 . 22 LEU N N 120.700 0.023 .
190 . 22 LEU H H 7.736 0.002 .
191 . 22 LEU CA C 57.476 0.000 .
192 . 22 LEU HA H 4.102 0.005 .
193 . 22 LEU CB C 43.003 0.000 .
194 . 22 LEU HB2 H 1.962 0.002 .
195 . 22 LEU HB3 H 1.426 0.004 .
196 . 22 LEU CG C 27.691 0.000 .
197 . 22 LEU HG H 1.707 0.001 .
198 . 22 LEU HD1 H 0.875 0.011 1
199 . 22 LEU HD2 H 0.844 0.002 1
200 . 22 LEU CD1 C 24.253 0.000 .
201 . 22 LEU CD2 C 25.191 0.000 .
202 . 22 LEU C C 178.745 0.011 .
203 . 23 LEU N N 122.879 0.005 .
204 . 23 LEU H H 8.488 0.002 .
205 . 23 LEU CA C 58.941 0.000 .
206 . 23 LEU HA H 3.861 0.005 .
207 . 23 LEU CB C 42.691 0.000 .
208 . 23 LEU HB2 H 2.092 0.001 .
209 . 23 LEU HB3 H 1.198 0.009 .
210 . 23 LEU CG C 27.378 0.000 .
211 . 23 LEU HG H 1.871 0.000 .
212 . 23 LEU HD1 H 0.904 0.003 1
213 . 23 LEU HD2 H 0.952 0.002 1
214 . 23 LEU CD1 C 24.878 0.000 .
215 . 23 LEU CD2 C 23.316 0.000 .
216 . 23 LEU C C 177.949 0.011 .
217 . 24 LEU N N 118.287 0.000 .
218 . 24 LEU H H 8.324 0.001 .
219 . 24 LEU CA C 58.420 0.233 .
220 . 24 LEU HA H 3.871 0.001 .
221 . 24 LEU CB C 41.441 0.000 .
222 . 24 LEU HB2 H 1.795 0.002 .
223 . 24 LEU HB3 H 1.368 0.004 .
224 . 24 LEU CG C 27.066 0.000 .
225 . 24 LEU HG H 1.297 0.004 .
226 . 24 LEU HD1 H 0.297 0.001 1
227 . 24 LEU HD2 H 0.606 0.002 1
228 . 24 LEU CD1 C 25.191 0.000 .
229 . 24 LEU CD2 C 23.316 0.000 .
230 . 24 LEU C C 180.167 0.010 .
231 . 25 HIS N N 117.193 0.000 .
232 . 25 HIS H H 8.242 0.002 .
233 . 25 HIS CA C 60.191 0.000 .
234 . 25 HIS HA H 4.100 0.001 .
235 . 25 HIS CB C 27.378 0.000 .
236 . 25 HIS HB2 H 3.357 0.001 .
237 . 25 HIS HB3 H 3.253 0.002 .
238 . 25 HIS HD2 H 7.160 0.001 .
239 . 25 HIS HE1 H 7.921 0.001 .
240 . 25 HIS C C 176.660 0.039 .
241 . 26 ALA N N 121.787 0.000 .
242 . 26 ALA H H 9.223 0.005 .
243 . 26 ALA CA C 55.191 0.000 .
244 . 26 ALA HA H 3.993 0.002 .
245 . 26 ALA HB H 1.499 0.001 1
246 . 26 ALA CB C 18.628 0.000 .
247 . 26 ALA C C 178.913 0.011 .
248 . 27 HIS N N 115.224 0.000 .
249 . 27 HIS H H 8.007 0.003 .
250 . 27 HIS CA C 58.628 0.000 .
251 . 27 HIS HA H 4.381 0.001 .
252 . 27 HIS CB C 31.128 0.000 .
253 . 27 HIS HB2 H 3.133 0.006 .
254 . 27 HIS HB3 H 3.060 0.002 .
255 . 27 HIS HD2 H 6.987 0.002 .
256 . 27 HIS C C 177.014 0.005 .
257 . 28 LYS N N 118.724 0.000 .
258 . 28 LYS H H 7.186 0.004 .
259 . 28 LYS CA C 58.628 0.000 .
260 . 28 LYS HA H 3.744 0.000 .
261 . 28 LYS CB C 27.284 11.391 .
262 . 28 LYS HB2 H 1.822 0.001 .
263 . 28 LYS HB3 H 1.781 0.003 .
264 . 28 LYS CG C 24.878 0.000 .
265 . 28 LYS HG2 H 1.575 0.001 .
266 . 28 LYS HG3 H 1.394 0.001 .
267 . 28 LYS CD C 28.941 0.000 .
268 . 28 LYS CE C 42.066 0.000 .
269 . 28 LYS C C 177.783 0.010 .
270 . 29 CYS N N 123.974 0.000 .
271 . 29 CYS H H 8.713 0.001 .
272 . 29 CYS CA C 62.378 0.000 .
273 . 29 CYS HA H 3.677 0.005 .
274 . 29 CYS CB C 29.253 0.000 .
275 . 29 CYS HB2 H 2.563 0.001 .
276 . 29 CYS HB3 H 2.059 0.005 .
277 . 29 CYS C C 177.445 0.000 .
278 . 30 GLN N N 119.162 0.000 .
279 . 30 GLN H H 8.212 0.005 .
280 . 30 GLN CA C 57.691 0.000 .
281 . 30 GLN HA H 4.164 0.000 .
282 . 30 GLN CB C 28.765 0.000 .
283 . 30 GLN HB2 H 2.308 0.000 .
284 . 30 GLN HB3 H 2.078 0.000 .
285 . 30 GLN CG C 33.941 0.000 .
286 . 30 GLN NE2 N 111.068 0.000 .
287 . 30 GLN HE21 H 7.492 0.003 .
288 . 30 GLN HE22 H 6.799 0.008 .
289 . 30 GLN C C 177.372 0.000 .
290 . 31 ARG N N 119.378 0.005 .
291 . 31 ARG H H 7.679 0.003 .
292 . 31 ARG CA C 58.003 0.000 .
293 . 31 ARG HA H 4.040 0.001 .
294 . 31 ARG CB C 29.566 0.000 .
295 . 31 ARG CG C 26.910 0.156 .
296 . 31 ARG HG2 H 1.500 0.000 .
297 . 31 ARG HG3 H 1.480 0.001 .
298 . 31 ARG CD C 43.003 0.000 .
299 . 31 ARG C C 178.327 0.002 .
300 . 32 ARG N N 120.037 0.001 .
301 . 32 ARG H H 7.904 0.003 .
302 . 32 ARG CA C 57.691 0.000 .
303 . 32 ARG HA H 4.143 0.000 .
304 . 32 ARG CB C 30.191 0.000 .
305 . 32 ARG CG C 26.851 0.000 .
306 . 32 ARG CD C 43.316 0.000 .
307 . 32 ARG C C 177.630 0.002 .
308 . 33 GLU N N 120.255 0.000 .
309 . 33 GLU H H 8.055 0.002 .
310 . 33 GLU CA C 57.691 0.000 .
311 . 33 GLU HA H 4.163 0.002 .
312 . 33 GLU CB C 29.566 0.000 .
313 . 33 GLU HB2 H 2.122 0.000 .
314 . 33 GLU HB3 H 2.078 0.000 .
315 . 33 GLU CG C 36.441 0.000 .
316 . 33 GLU HG2 H 2.431 0.001 .
317 . 33 GLU HG3 H 2.308 0.002 .
318 . 33 GLU C C 177.868 0.003 .
319 . 34 GLN N N 118.721 0.008 .
320 . 34 GLN H H 8.109 0.006 .
321 . 34 GLN CA C 56.441 0.000 .
322 . 34 GLN HA H 4.225 0.000 .
323 . 34 GLN CB C 28.628 0.000 .
324 . 34 GLN HB2 H 2.108 0.000 .
325 . 34 GLN HB3 H 2.080 0.002 .
326 . 34 GLN CG C 33.941 0.000 .
327 . 34 GLN HG2 H 2.492 0.000 .
328 . 34 GLN HG3 H 2.472 0.001 .
329 . 34 GLN C C 176.854 0.000 .
330 . 35 ALA N N 122.439 0.008 .
331 . 35 ALA H H 7.960 0.003 .
332 . 35 ALA CA C 53.003 0.000 .
333 . 35 ALA HA H 4.275 0.000 .
334 . 35 ALA HB H 1.426 0.000 1
335 . 35 ALA CB C 18.941 0.000 .
336 . 35 ALA C C 177.922 0.004 .
337 . 36 ASN N N 115.443 0.001 .
338 . 36 ASN H H 8.096 0.002 .
339 . 36 ASN CA C 53.003 0.000 .
340 . 36 ASN HA H 4.699 0.001 .
341 . 36 ASN CB C 38.628 0.000 .
342 . 36 ASN HB2 H 2.868 0.002 .
343 . 36 ASN HB3 H 2.823 0.002 .
344 . 36 ASN C C 175.617 0.002 .
345 . 37 GLY N N 108.889 0.026 .
346 . 37 GLY H H 8.223 0.002 .
347 . 37 GLY CA C 45.503 0.000 .
348 . 37 GLY C C 174.059 0.000 .
349 . 38 GLU N N 119.819 0.002 .
350 . 38 GLU H H 8.092 0.001 .
351 . 38 GLU CA C 55.816 0.000 .
352 . 38 GLU HA H 4.300 0.001 .
353 . 38 GLU CB C 30.191 0.000 .
354 . 38 GLU CG C 35.816 0.000 .
355 . 38 GLU C C 176.079 0.001 .
356 . 39 VAL N N 121.565 0.007 .
357 . 39 VAL H H 8.122 0.003 .
358 . 39 VAL CA C 54.644 12.855 .
359 . 39 VAL HA H 4.090 0.001 .
360 . 39 VAL CB C 32.378 0.000 .
361 . 39 VAL HB H 2.040 0.000 .
362 . 39 VAL HG1 H 0.883 0.000 1
363 . 39 VAL HG2 H 0.915 0.000 1
364 . 39 VAL CG1 C 20.816 0.000 .
365 . 39 VAL CG2 C 20.503 0.000 .
366 . 39 VAL C C 175.879 0.011 .
367 . 40 ARG N N 125.514 0.026 .
368 . 40 ARG H H 8.470 0.003 .
369 . 40 ARG CA C 55.503 0.000 .
370 . 40 ARG HA H 4.342 0.000 .
371 . 40 ARG CB C 30.816 0.000 .
372 . 40 ARG HB2 H 1.607 0.003 .
373 . 40 ARG HB3 H 1.573 0.002 .
374 . 40 ARG CG C 26.753 0.000 .
375 . 40 ARG HG2 H 1.770 0.006 .
376 . 40 ARG HG3 H 1.720 0.005 .
377 . 40 ARG CD C 43.003 0.000 .
378 . 40 ARG HD2 H 3.180 0.005 .
379 . 40 ARG HD3 H 3.166 0.000 .
380 . 40 ARG C C 175.721 0.000 .
381 . 41 GLN N N 122.893 0.031 .
382 . 41 GLN H H 8.518 0.003 .
383 . 41 GLN CA C 55.503 0.000 .
384 . 41 GLN HA H 4.232 0.000 .
385 . 41 GLN CB C 29.253 0.000 .
386 . 41 GLN HB2 H 1.987 0.001 .
387 . 41 GLN HB3 H 1.915 0.000 .
388 . 41 GLN CG C 33.941 0.000 .
389 . 41 GLN NE2 N 112.818 0.000 .
390 . 41 GLN HE21 H 7.541 0.004 .
391 . 41 GLN HE22 H 6.860 0.001 .
392 . 41 GLN C C 175.141 0.005 .
393 . 42 CYS N N 126.380 0.000 .
394 . 42 CYS H H 8.609 0.005 .
395 . 42 CYS CA C 59.878 0.000 .
396 . 42 CYS HA H 4.235 0.001 .
397 . 42 CYS CB C 29.878 0.000 .
398 . 42 CYS HB2 H 2.794 0.000 .
399 . 42 CYS HB3 H 2.741 0.001 .
400 . 42 CYS C C 175.896 0.028 .
401 . 43 ASN N N 127.689 0.009 .
402 . 43 ASN H H 8.731 0.010 .
403 . 43 ASN CA C 52.378 0.000 .
404 . 43 ASN HA H 4.918 0.002 .
405 . 43 ASN CB C 39.253 0.000 .
406 . 43 ASN HB2 H 2.852 0.002 .
407 . 43 ASN HB3 H 2.722 0.006 .
408 . 43 ASN ND2 N 112.162 0.000 .
409 . 43 ASN HD21 H 7.491 0.004 .
410 . 43 ASN HD22 H 6.807 0.004 .
411 . 43 ASN C C 176.596 0.000 .
412 . 44 LEU CA C 53.941 0.000 .
413 . 44 LEU HA H 4.389 0.001 .
414 . 44 LEU CB C 41.441 0.000 .
415 . 44 LEU CG C 26.441 0.000 .
416 . 44 LEU HG H 1.423 0.000 .
417 . 44 LEU HD1 H 0.577 0.002 1
418 . 44 LEU HD2 H 0.274 0.005 1
419 . 44 LEU CD1 C 23.941 0.000 .
420 . 44 LEU CD2 C 23.316 0.000 .
421 . 45 PRO HA H 4.452 0.000 .
422 . 45 PRO HB2 H 2.360 0.005 .
423 . 45 PRO HB3 H 1.847 0.002 .
424 . 45 PRO HG2 H 2.109 0.002 .
425 . 45 PRO HG3 H 1.968 0.002 .
426 . 46 HIS HD2 H 7.056 0.000 .
427 . 47 CYS N N 124.193 0.000 .
428 . 47 CYS H H 7.692 0.001 .
429 . 47 CYS CA C 64.253 0.000 .
430 . 47 CYS HA H 3.978 0.003 .
431 . 47 CYS CB C 28.628 0.000 .
432 . 47 CYS HB2 H 3.074 0.007 .
433 . 47 CYS HB3 H 2.708 0.004 .
434 . 47 CYS C C 176.545 0.000 .
435 . 48 ARG N N 117.412 0.000 .
436 . 48 ARG H H 8.362 0.004 .
437 . 48 ARG CA C 59.253 0.000 .
438 . 48 ARG HA H 3.914 0.003 .
439 . 48 ARG CB C 28.316 0.000 .
440 . 48 ARG HB2 H 2.023 0.002 .
441 . 48 ARG HB3 H 1.949 0.001 .
442 . 48 ARG CG C 26.128 0.000 .
443 . 48 ARG HG2 H 1.783 0.002 .
444 . 48 ARG HG3 H 1.744 0.025 .
445 . 48 ARG CD C 42.378 0.000 .
446 . 48 ARG HD2 H 3.306 0.000 .
447 . 48 ARG HD3 H 3.246 0.008 .
448 . 48 ARG C C 178.756 0.001 .
449 . 49 THR N N 114.787 0.000 .
450 . 49 THR H H 7.798 0.002 .
451 . 49 THR CA C 66.128 0.000 .
452 . 49 THR HA H 3.963 0.000 .
453 . 49 THR CB C 68.628 0.000 .
454 . 49 THR HB H 4.211 0.003 .
455 . 49 THR HG2 H 1.243 0.001 1
456 . 49 THR CG2 C 21.441 0.000 .
457 . 49 THR C C 176.558 0.000 .
458 . 50 MET N N 120.046 0.030 .
459 . 50 MET H H 8.051 0.002 .
460 . 50 MET CA C 56.753 0.000 .
461 . 50 MET HA H 4.521 0.001 .
462 . 50 MET CB C 31.753 0.000 .
463 . 50 MET HB2 H 2.222 0.002 .
464 . 50 MET HB3 H 1.841 0.001 .
465 . 50 MET CG C 33.628 0.000 .
466 . 50 MET HG2 H 2.570 0.001 .
467 . 50 MET HG3 H 2.524 0.001 .
468 . 50 MET HE H 1.665 0.001 1
469 . 50 MET CE C 17.691 0.000 .
470 . 50 MET C C 178.713 0.000 .
471 . 51 LYS N N 122.667 0.021 .
472 . 51 LYS H H 9.179 0.005 .
473 . 51 LYS CA C 61.128 0.000 .
474 . 51 LYS HA H 3.872 0.007 .
475 . 51 LYS CB C 32.691 0.000 .
476 . 51 LYS HB2 H 2.055 0.009 .
477 . 51 LYS HB3 H 1.826 0.006 .
478 . 51 LYS CG C 27.378 0.000 .
479 . 51 LYS HG2 H 2.064 0.006 .
480 . 51 LYS HG3 H 1.184 0.002 .
481 . 51 LYS CD C 30.191 0.000 .
482 . 51 LYS HD2 H 1.692 0.003 .
483 . 51 LYS HD3 H 1.609 0.002 .
484 . 51 LYS CE C 42.066 0.000 .
485 . 51 LYS HE2 H 3.277 0.001 .
486 . 51 LYS HE3 H 2.700 0.002 .
487 . 51 LYS C C 178.887 0.014 .
488 . 52 ASN N N 117.412 0.000 .
489 . 52 ASN H H 7.941 0.002 .
490 . 52 ASN CA C 55.816 0.000 .
491 . 52 ASN HA H 4.558 0.000 .
492 . 52 ASN CB C 37.066 0.000 .
493 . 52 ASN HB2 H 3.185 0.002 .
494 . 52 ASN HB3 H 2.926 0.004 .
495 . 52 ASN C C 179.190 0.006 .
496 . 53 VAL N N 123.537 0.000 .
497 . 53 VAL H H 8.160 0.003 .
498 . 53 VAL CA C 68.238 2.030 .
499 . 53 VAL HA H 3.753 0.004 .
500 . 53 VAL CB C 31.753 0.000 .
501 . 53 VAL HB H 2.407 0.005 .
502 . 53 VAL HG1 H 0.963 0.002 1
503 . 53 VAL HG2 H 1.242 0.002 1
504 . 53 VAL CG1 C 20.816 0.000 .
505 . 53 VAL CG2 C 23.316 0.000 .
506 . 53 VAL C C 177.814 0.000 .
507 . 54 LEU N N 121.568 0.000 .
508 . 54 LEU H H 8.656 0.001 .
509 . 54 LEU CA C 58.941 0.000 .
510 . 54 LEU HA H 3.907 0.004 .
511 . 54 LEU CB C 41.753 0.000 .
512 . 54 LEU HB2 H 2.013 0.005 .
513 . 54 LEU HB3 H 1.496 0.002 .
514 . 54 LEU CG C 26.441 0.000 .
515 . 54 LEU HG H 1.749 0.001 .
516 . 54 LEU HD1 H 0.894 0.003 1
517 . 54 LEU HD2 H 0.741 0.001 1
518 . 54 LEU CD1 C 25.191 0.000 .
519 . 54 LEU CD2 C 23.628 0.000 .
520 . 54 LEU C C 178.745 0.032 .
521 . 55 ASN N N 116.099 0.000 .
522 . 55 ASN H H 8.077 0.004 .
523 . 55 ASN CA C 55.816 0.000 .
524 . 55 ASN HA H 4.464 0.005 .
525 . 55 ASN CB C 37.691 0.000 .
526 . 55 ASN C C 177.563 0.021 .
527 . 56 HIS N N 118.731 0.024 .
528 . 56 HIS H H 7.880 0.004 .
529 . 56 HIS CA C 59.253 0.000 .
530 . 56 HIS HA H 4.397 0.003 .
531 . 56 HIS CB C 27.378 0.000 .
532 . 56 HIS HB2 H 3.509 0.006 .
533 . 56 HIS HB3 H 3.396 0.003 .
534 . 56 HIS HD1 H 9.423 0.002 .
535 . 56 HIS HD2 H 7.219 0.001 .
536 . 56 HIS HE1 H 8.005 0.001 .
537 . 56 HIS C C 177.719 0.010 .
538 . 57 MET N N 119.599 0.000 .
539 . 57 MET H H 9.406 0.003 .
540 . 57 MET CA C 53.378 11.750 .
541 . 57 MET HA H 3.804 0.002 .
542 . 57 MET CB C 33.941 0.000 .
543 . 57 MET HB2 H 2.352 0.002 .
544 . 57 MET HB3 H 2.137 0.003 .
545 . 57 MET CG C 29.878 0.000 .
546 . 57 MET HG2 H 2.927 0.006 .
547 . 57 MET HG3 H 2.854 0.001 .
548 . 57 MET HE H 1.901 0.001 1
549 . 57 MET CE C 16.128 0.000 .
550 . 57 MET C C 178.877 0.004 .
551 . 58 THR N N 109.537 0.000 .
552 . 58 THR H H 8.535 0.001 .
553 . 58 THR CA C 64.878 0.000 .
554 . 58 THR HA H 3.685 0.002 .
555 . 58 THR CB C 68.628 0.000 .
556 . 58 THR HB H 3.999 0.001 .
557 . 58 THR HG2 H 1.160 0.002 1
558 . 58 THR CG2 C 21.441 0.000 .
559 . 58 THR C C 174.069 0.000 .
560 . 59 HIS N N 115.443 0.000 .
561 . 59 HIS H H 7.405 0.000 .
562 . 59 HIS CA C 54.878 0.000 .
563 . 59 HIS HA H 4.802 0.002 .
564 . 59 HIS CB C 29.253 0.000 .
565 . 59 HIS HB2 H 3.474 0.001 .
566 . 59 HIS HB3 H 3.024 0.001 .
567 . 59 HIS C C 172.977 0.005 .
568 . 60 CYS N N 123.768 0.031 .
569 . 60 CYS H H 6.990 0.001 .
570 . 60 CYS CA C 60.191 0.000 .
571 . 60 CYS HA H 4.100 0.001 .
572 . 60 CYS CB C 29.878 0.000 .
573 . 60 CYS HB2 H 2.506 0.002 .
574 . 60 CYS HB3 H 1.958 0.002 .
575 . 60 CYS C C 176.715 0.031 .
576 . 61 GLN N N 129.005 0.000 .
577 . 61 GLN H H 9.114 0.005 .
578 . 61 GLN CA C 55.191 0.000 .
579 . 61 GLN HA H 4.768 0.000 .
580 . 61 GLN CB C 29.253 0.000 .
581 . 61 GLN HB2 H 2.467 0.001 .
582 . 61 GLN HB3 H 1.895 0.000 .
583 . 61 GLN CG C 33.628 0.000 .
584 . 61 GLN HG2 H 2.406 0.001 .
585 . 61 GLN HG3 H 2.367 0.001 .
586 . 61 GLN C C 176.677 0.007 .
587 . 62 SER N N 118.731 0.024 .
588 . 62 SER H H 8.843 0.002 .
589 . 62 SER CA C 59.878 0.000 .
590 . 62 SER HA H 4.493 0.000 .
591 . 62 SER CB C 63.003 0.000 .
592 . 62 SER HB2 H 3.833 0.001 .
593 . 62 SER HB3 H 3.768 0.002 .
594 . 62 SER C C 174.403 0.000 .
595 . 63 GLY N N 109.537 0.000 .
596 . 63 GLY H H 8.200 0.003 .
597 . 63 GLY CA C 46.128 0.000 .
598 . 63 GLY HA2 H 3.941 0.000 .
599 . 63 GLY HA3 H 3.529 0.002 .
600 . 63 GLY C C 176.286 0.000 .
601 . 64 LYS N N 125.505 0.000 .
602 . 64 LYS H H 9.070 0.003 .
603 . 64 LYS CA C 58.628 0.000 .
604 . 64 LYS HA H 4.125 0.005 .
605 . 64 LYS CB C 31.753 0.000 .
606 . 64 LYS CG C 24.878 0.000 .
607 . 64 LYS CD C 29.253 0.000 .
608 . 64 LYS CE C 41.753 0.000 .
609 . 64 LYS C C 176.402 0.010 .
610 . 65 SER N N 112.378 0.006 .
611 . 65 SER H H 7.819 0.002 .
612 . 65 SER CA C 58.003 0.000 .
613 . 65 SER HA H 4.455 0.000 .
614 . 65 SER CB C 63.003 0.000 .
615 . 65 SER C C 173.713 0.000 .
616 . 66 CYS N N 124.190 0.007 .
617 . 66 CYS H H 7.363 0.003 .
618 . 66 CYS CA C 62.066 0.000 .
619 . 66 CYS HA H 3.917 0.000 .
620 . 66 CYS CB C 29.566 0.000 .
621 . 66 CYS HB2 H 2.819 0.001 .
622 . 66 CYS HB3 H 2.705 0.001 .
623 . 66 CYS C C 177.306 0.015 .
624 . 67 GLN N N 129.878 0.006 .
625 . 67 GLN H H 9.156 0.004 .
626 . 67 GLN CA C 55.191 0.000 .
627 . 67 GLN HA H 4.442 0.001 .
628 . 67 GLN CB C 28.941 0.000 .
629 . 67 GLN HB2 H 2.475 0.000 .
630 . 67 GLN CG C 33.941 0.000 .
631 . 67 GLN HG2 H 2.471 0.001 .
632 . 67 GLN HG3 H 2.403 0.000 .
633 . 67 GLN C C 176.275 0.010 .
634 . 68 VAL N N 127.693 0.000 .
635 . 68 VAL H H 9.260 0.001 .
636 . 68 VAL CA C 64.253 0.000 .
637 . 68 VAL HA H 3.593 0.000 .
638 . 68 VAL CB C 30.816 0.000 .
639 . 68 VAL HB H 1.860 0.003 .
640 . 68 VAL HG1 H 0.421 0.003 1
641 . 68 VAL HG2 H 0.558 0.001 1
642 . 68 VAL CG1 C 19.878 0.000 .
643 . 68 VAL CG2 C 22.378 0.000 .
644 . 68 VAL C C 177.070 0.010 .
645 . 69 ALA N N 106.265 0.028 .
646 . 69 ALA H H 8.650 0.003 .
647 . 69 ALA CA C 53.941 0.000 .
648 . 69 ALA HA H 3.687 0.000 .
649 . 69 ALA HB H 0.881 0.001 1
650 . 69 ALA CB C 17.378 0.000 .
651 . 69 ALA C C 177.207 0.042 .
652 . 70 HIS N N 110.206 0.031 .
653 . 70 HIS H H 8.005 0.000 .
654 . 70 HIS CA C 57.066 0.000 .
655 . 70 HIS HA H 4.414 0.003 .
656 . 70 HIS CB C 29.253 0.000 .
657 . 70 HIS HB2 H 3.676 0.002 .
658 . 70 HIS HB3 H 2.847 0.001 .
659 . 70 HIS HD2 H 6.530 0.001 .
660 . 70 HIS HE1 H 7.447 0.002 .
661 . 70 HIS C C 175.921 0.010 .
662 . 71 CYS N N 126.817 0.005 .
663 . 71 CYS H H 8.061 0.000 .
664 . 71 CYS CA C 63.628 0.000 .
665 . 71 CYS HA H 4.183 0.005 .
666 . 71 CYS CB C 29.878 0.000 .
667 . 71 CYS HB2 H 3.315 0.002 .
668 . 71 CYS HB3 H 2.541 0.006 .
669 . 71 CYS C C 175.157 0.000 .
670 . 72 ALA N N 119.161 0.005 .
671 . 72 ALA H H 8.802 0.004 .
672 . 72 ALA CA C 55.191 0.000 .
673 . 72 ALA HA H 4.320 0.005 .
674 . 72 ALA HB H 1.510 0.001 1
675 . 72 ALA CB C 17.691 0.000 .
676 . 72 ALA C C 182.150 0.015 .
677 . 73 SER N N 114.566 0.007 .
678 . 73 SER H H 9.082 0.002 .
679 . 73 SER CA C 59.878 0.000 .
680 . 73 SER HA H 4.068 0.008 .
681 . 73 SER CB C 61.753 0.000 .
682 . 73 SER C C 176.872 0.000 .
683 . 74 SER N N 120.255 0.000 .
684 . 74 SER H H 7.748 0.000 .
685 . 74 SER CA C 63.628 0.000 .
686 . 74 SER HA H 3.971 0.008 .
687 . 74 SER CB C 62.378 0.000 .
688 . 74 SER HB2 H 4.627 0.001 .
689 . 74 SER HB3 H 3.535 0.001 .
690 . 74 SER C C 175.115 0.000 .
691 . 75 ARG N N 123.972 0.006 .
692 . 75 ARG H H 8.996 0.002 .
693 . 75 ARG CA C 60.503 0.000 .
694 . 75 ARG HA H 3.692 0.003 .
695 . 75 ARG CB C 30.503 0.000 .
696 . 75 ARG HB2 H 2.124 0.003 .
697 . 75 ARG HB3 H 1.903 0.001 .
698 . 75 ARG CG C 27.671 0.000 .
699 . 75 ARG CD C 43.003 0.000 .
700 . 75 ARG HD2 H 3.526 0.001 .
701 . 75 ARG HD3 H 3.078 0.004 .
702 . 75 ARG NE N 110.412 0.000 .
703 . 75 ARG HE H 8.754 0.000 .
704 . 75 ARG C C 180.568 0.013 .
705 . 76 GLN N N 122.003 0.006 .
706 . 76 GLN H H 8.217 0.004 .
707 . 76 GLN CA C 58.941 0.000 .
708 . 76 GLN HA H 3.862 0.000 .
709 . 76 GLN CB C 26.851 0.000 .
710 . 76 GLN HB2 H 2.429 0.003 .
711 . 76 GLN HB3 H 2.411 0.003 .
712 . 76 GLN CG C 33.941 0.000 .
713 . 76 GLN C C 177.789 0.004 .
714 . 77 ILE N N 120.918 0.022 .
715 . 77 ILE H H 8.700 0.003 .
716 . 77 ILE CA C 66.753 0.000 .
717 . 77 ILE HA H 3.535 0.001 .
718 . 77 ILE CB C 38.628 0.000 .
719 . 77 ILE HB H 1.788 0.004 .
720 . 77 ILE HG2 H 0.828 0.002 1
721 . 77 ILE CG2 C 18.316 0.000 .
722 . 77 ILE CG1 C 28.941 0.000 .
723 . 77 ILE HD1 H 0.785 0.003 1
724 . 77 ILE CD1 C 13.941 0.000 .
725 . 77 ILE C C 177.814 0.000 .
726 . 78 ILE N N 119.816 0.006 .
727 . 78 ILE H H 8.968 0.002 .
728 . 78 ILE CA C 65.503 0.000 .
729 . 78 ILE HA H 3.660 0.001 .
730 . 78 ILE CB C 37.691 0.000 .
731 . 78 ILE HB H 1.666 0.002 .
732 . 78 ILE HG2 H 0.996 0.001 1
733 . 78 ILE CG2 C 18.941 0.000 .
734 . 78 ILE CG1 C 29.566 0.000 .
735 . 78 ILE HD1 H 0.783 0.001 1
736 . 78 ILE CD1 C 14.566 0.000 .
737 . 78 ILE C C 177.594 0.031 .
738 . 79 SER N N 114.796 0.026 .
739 . 79 SER H H 7.798 0.002 .
740 . 79 SER CA C 63.003 0.000 .
741 . 79 SER HA H 4.231 0.001 .
742 . 79 SER CB C 63.003 0.000 .
743 . 79 SER HB2 H 4.147 0.002 .
744 . 79 SER HB3 H 4.027 0.001 .
745 . 79 SER C C 176.035 0.000 .
746 . 80 HIS N N 121.786 0.002 .
747 . 80 HIS H H 8.555 0.006 .
748 . 80 HIS CA C 60.503 0.000 .
749 . 80 HIS HA H 3.980 0.006 .
750 . 80 HIS CB C 27.066 0.000 .
751 . 80 HIS HB2 H 3.587 0.004 .
752 . 80 HIS HB3 H 3.203 0.003 .
753 . 80 HIS HD2 H 6.662 0.001 .
754 . 80 HIS HE1 H 8.091 0.001 .
755 . 80 HIS C C 175.701 0.000 .
756 . 81 TRP N N 121.568 0.000 .
757 . 81 TRP H H 8.512 0.004 .
758 . 81 TRP CA C 59.878 0.000 .
759 . 81 TRP HA H 4.461 0.002 .
760 . 81 TRP CB C 29.566 0.000 .
761 . 81 TRP HB2 H 3.602 0.009 .
762 . 81 TRP HB3 H 3.395 0.004 .
763 . 81 TRP NE1 N 128.568 0.000 .
764 . 81 TRP HD1 H 7.051 0.002 .
765 . 81 TRP HE3 H 8.188 0.002 .
766 . 81 TRP HE1 H 9.900 0.006 .
767 . 81 TRP HZ3 H 7.038 0.001 .
768 . 81 TRP HZ2 H 7.461 0.001 .
769 . 81 TRP HH2 H 7.046 0.002 .
770 . 81 TRP C C 177.625 0.000 .
771 . 82 LYS N N 116.755 0.000 .
772 . 82 LYS H H 8.363 0.004 .
773 . 82 LYS CA C 57.691 0.000 .
774 . 82 LYS HA H 3.765 0.000 .
775 . 82 LYS CB C 32.378 0.000 .
776 . 82 LYS CG C 29.983 8.544 .
777 . 82 LYS CD C 28.628 0.000 .
778 . 82 LYS HD2 H 1.505 0.000 .
779 . 82 LYS HD3 H 1.463 0.000 .
780 . 82 LYS CE C 42.066 0.000 .
781 . 82 LYS C C 176.632 0.031 .
782 . 83 ASN N N 112.825 0.024 .
783 . 83 ASN H H 6.896 0.002 .
784 . 83 ASN CA C 53.316 0.000 .
785 . 83 ASN HA H 4.556 0.000 .
786 . 83 ASN CB C 41.441 0.000 .
787 . 83 ASN HB2 H 2.795 0.003 .
788 . 83 ASN HB3 H 2.541 0.002 .
789 . 83 ASN ND2 N 114.568 0.000 .
790 . 83 ASN HD21 H 7.535 0.001 .
791 . 83 ASN HD22 H 7.348 0.003 .
792 . 83 ASN C C 173.378 0.021 .
793 . 84 CYS N N 123.096 0.007 .
794 . 84 CYS H H 7.321 0.002 .
795 . 84 CYS CA C 60.816 0.000 .
796 . 84 CYS HA H 3.991 0.000 .
797 . 84 CYS CB C 28.316 0.000 .
798 . 84 CYS HB2 H 2.793 0.002 .
799 . 84 CYS HB3 H 1.911 0.002 .
800 . 84 CYS C C 176.379 0.009 .
801 . 85 THR N N 118.956 0.031 .
802 . 85 THR H H 8.437 0.003 .
803 . 85 THR CA C 60.503 0.000 .
804 . 85 THR HA H 4.507 0.004 .
805 . 85 THR CB C 69.253 0.000 .
806 . 85 THR HB H 4.507 0.001 .
807 . 85 THR HG2 H 1.079 0.000 1
808 . 85 THR CG2 C 21.128 0.000 .
809 . 86 ARG N N 112.818 0.000 .
810 . 86 ARG H H 8.404 0.001 .
811 . 86 ARG HA H 4.003 0.000 .
812 . 87 HIS CA C 57.691 0.000 .
813 . 87 HIS HA H 4.401 0.000 .
814 . 87 HIS CB C 28.628 0.000 .
815 . 87 HIS C C 174.634 0.000 .
816 . 88 ASP N N 116.537 0.000 .
817 . 88 ASP H H 8.208 0.004 .
818 . 88 ASP CA C 51.441 0.000 .
819 . 88 ASP HA H 4.521 0.000 .
820 . 88 ASP CB C 39.253 0.000 .
821 . 88 ASP HB2 H 2.828 0.001 .
822 . 88 ASP HB3 H 2.361 0.002 .
823 . 88 ASP C C 175.240 0.021 .
824 . 89 CYS N N 122.453 0.028 .
825 . 89 CYS H H 7.078 0.001 .
826 . 89 CYS CA C 57.378 0.000 .
827 . 89 CYS HA H 4.311 0.001 .
828 . 89 CYS CB C 30.503 0.000 .
829 . 89 CYS C C 174.529 0.000 .
830 . 90 PRO CD C 50.816 0.000 .
831 . 90 PRO CA C 63.628 0.000 .
832 . 90 PRO HA H 4.439 0.007 .
833 . 90 PRO CB C 32.378 0.000 .
834 . 90 PRO HB2 H 2.335 0.014 .
835 . 90 PRO HB3 H 1.869 0.017 .
836 . 90 PRO CG C 27.066 0.000 .
837 . 90 PRO HG2 H 2.098 0.008 .
838 . 90 PRO HG3 H 1.961 0.012 .
839 . 90 PRO C C 177.814 0.000 .
840 . 91 VAL N N 120.474 0.000 .
841 . 91 VAL H H 8.571 0.000 .
842 . 91 VAL CA C 66.128 0.000 .
843 . 91 VAL HA H 3.730 0.001 .
844 . 91 VAL CB C 33.003 0.000 .
845 . 91 VAL HB H 2.229 0.002 .
846 . 91 VAL HG1 H 0.848 0.006 1
847 . 91 VAL HG2 H 0.864 0.001 1
848 . 91 VAL CG1 C 22.066 0.000 .
849 . 91 VAL CG2 C 21.441 0.000 .
850 . 91 VAL C C 176.537 0.000 .
851 . 92 CYS N N 118.283 0.014 .
852 . 92 CYS H H 8.379 0.001 .
853 . 92 CYS CA C 63.316 0.000 .
854 . 92 CYS HA H 4.234 0.004 .
855 . 92 CYS CB C 31.128 0.000 .
856 . 92 CYS HB2 H 3.142 0.069 .
857 . 92 CYS HB3 H 2.926 0.001 .
858 . 92 CYS C C 177.779 0.007 .
859 . 93 LEU N N 119.599 0.000 .
860 . 93 LEU H H 7.867 0.003 .
861 . 93 LEU CA C 59.566 0.000 .
862 . 93 LEU HA H 4.227 0.000 .
863 . 93 LEU CB C 39.253 0.000 .
864 . 93 LEU HB2 H 1.804 0.000 .
865 . 93 LEU HB3 H 1.714 0.005 .
866 . 93 LEU CG C 27.066 0.000 .
867 . 93 LEU HG H 1.591 0.000 .
868 . 93 LEU HD1 H 0.852 0.000 1
869 . 93 LEU HD2 H 0.867 0.000 1
870 . 93 LEU CD1 C 23.941 0.000 .
871 . 93 LEU CD2 C 24.878 0.000 .
872 . 93 LEU C C 176.077 0.000 .
873 . 94 PRO CD C 49.878 0.000 .
874 . 94 PRO CA C 64.878 0.000 .
875 . 94 PRO HA H 4.430 0.000 .
876 . 94 PRO CB C 31.128 0.000 .
877 . 94 PRO HB2 H 2.347 0.001 .
878 . 94 PRO HB3 H 1.672 0.001 .
879 . 94 PRO CG C 28.003 0.000 .
880 . 94 PRO HG2 H 1.937 0.001 .
881 . 94 PRO HG3 H 1.882 0.001 .
882 . 94 PRO HD2 H 3.635 0.001 .
883 . 94 PRO HD3 H 3.443 0.001 .
884 . 94 PRO C C 177.312 0.000 .
885 . 95 LEU N N 116.972 0.006 .
886 . 95 LEU H H 7.647 0.002 .
887 . 95 LEU CA C 55.503 0.000 .
888 . 95 LEU HA H 4.341 0.000 .
889 . 95 LEU CB C 42.066 0.000 .
890 . 95 LEU HB2 H 2.079 0.002 .
891 . 95 LEU HB3 H 1.752 0.008 .
892 . 95 LEU CG C 27.691 0.000 .
893 . 95 LEU HG H 1.720 0.000 .
894 . 95 LEU HD1 H 0.833 0.007 1
895 . 95 LEU HD2 H 0.732 0.002 1
896 . 95 LEU CD1 C 25.503 0.000 .
897 . 95 LEU CD2 C 23.628 0.000 .
898 . 95 LEU C C 178.201 0.031 .
899 . 96 LYS N N 119.818 0.000 .
900 . 96 LYS H H 7.904 0.001 .
901 . 96 LYS CA C 56.753 0.000 .
902 . 96 LYS HA H 4.387 0.002 .
903 . 96 LYS CB C 33.003 0.000 .
904 . 96 LYS CG C 25.191 0.000 .
905 . 96 LYS HG2 H 1.586 0.000 .
906 . 96 LYS HG3 H 1.439 0.001 .
907 . 96 LYS CD C 28.941 0.000 .
908 . 96 LYS CE C 42.066 0.000 .
909 . 96 LYS HE2 H 2.763 0.000 .
910 . 96 LYS HE3 H 2.624 0.000 .
911 . 96 LYS C C 176.723 0.024 .
912 . 97 ASN N N 118.504 0.002 .
913 . 97 ASN H H 8.332 0.003 .
914 . 97 ASN CA C 53.003 0.000 .
915 . 97 ASN HA H 4.728 0.000 .
916 . 97 ASN CB C 38.628 0.000 .
917 . 97 ASN HB2 H 2.874 0.001 .
918 . 97 ASN HB3 H 2.752 0.001 .
919 . 97 ASN ND2 N 112.818 0.000 .
920 . 97 ASN HD21 H 7.613 0.002 .
921 . 97 ASN HD22 H 6.907 0.000 .
922 . 97 ASN C C 174.991 0.000 .
923 . 98 ALA N N 124.208 0.033 .
924 . 98 ALA H H 8.164 0.001 .
925 . 98 ALA CA C 53.003 0.000 .
926 . 98 ALA HA H 4.321 0.000 .
927 . 98 ALA HB H 1.441 0.000 1
928 . 98 ALA CB C 18.941 0.000 .
929 . 98 ALA C C 178.097 0.000 .
930 . 99 GLY N N 107.562 0.010 .
931 . 99 GLY H H 8.341 0.002 .
932 . 99 GLY CA C 45.191 0.000 .
933 . 99 GLY C C 173.904 0.000 .
934 . 100 ASP N N 120.474 0.000 .
935 . 100 ASP H H 8.219 0.006 .
936 . 100 ASP CA C 54.253 0.000 .
937 . 100 ASP HA H 4.629 0.002 .
938 . 100 ASP CB C 40.816 0.000 .
939 . 100 ASP HB2 H 2.720 0.004 .
940 . 100 ASP HB3 H 2.626 0.005 .
941 . 100 ASP C C 175.302 0.000 .
942 . 101 LYS N N 125.954 0.029 .
943 . 101 LYS H H 7.836 0.003 .
944 . 101 LYS CA C 57.378 0.000 .
945 . 101 LYS HA H 4.168 0.005 .
946 . 101 LYS CB C 33.628 0.000 .
947 . 101 LYS HB2 H 1.833 0.001 .
948 . 101 LYS HB3 H 1.713 0.000 .
949 . 101 LYS CG C 24.253 0.000 .
950 . 101 LYS CD C 28.941 0.000 .
951 . 101 LYS CE C 41.753 0.000 .
952 . 101 LYS C C 181.357 0.000 .
stop_
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