data_17713
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Fpr4p PPIase domain
;
_BMRB_accession_number 17713
_BMRB_flat_file_name bmr17713.str
_Entry_type original
_Submission_date 2011-06-16
_Accession_date 2011-06-16
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'Catalytic peptidyl-prolyl isomerase domain from yeast Fpr4p consisting of C-terminal residues 280 to 392'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Monneau Yoan R. .
2 Mackereth Cameron D. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 719
"13C chemical shifts" 532
"15N chemical shifts" 120
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2013-01-24 update BMRB 'update entry citation'
2011-09-13 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Chemical shift assignments of the catalytic domain from the yeast proline isomerase Fpr4p.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 21898050
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Monneau Yoan R. .
2 Nelson Christopher J. .
3 Mackereth Cameron D. .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_name_full 'Biomolecular NMR assignments'
_Journal_volume 6
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 123
_Page_last 126
_Year 2012
_Details .
loop_
_Keyword
epigenetics
histone
'proline isomerization'
yeast
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name Fpr4p(280-392)
_Enzyme_commission_number 5.2.1.8
loop_
_Mol_system_component_name
_Mol_label
Fpr4p(280-392) $Fpr4p
stop_
_System_molecular_weight 12480
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details 'C-terminal peptidyl prolyl cis-trans isomerase domain from yeast Fpr4p'
save_
########################
# Monomeric polymers #
########################
save_Fpr4p
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Fpr4p
_Molecular_mass .
_Mol_thiol_state 'not present'
loop_
_Biological_function
'peptidyl-prolyl cis-trans isomerase'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 117
_Mol_residue_sequence
;
GAMAKPKTKLLEGGIIIEDR
VTGKGPHAKKGTRVGMRYVG
KLKNGKVFDKNTKGKPFVFK
LGQGEVIKGWDIGVAGMAVG
GERRIVIPAPYAYGKQALPG
IPANSELTFDVKLVSMK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 276 GLY 2 277 ALA 3 278 MET 4 279 ALA 5 280 LYS
6 281 PRO 7 282 LYS 8 283 THR 9 284 LYS 10 285 LEU
11 286 LEU 12 287 GLU 13 288 GLY 14 289 GLY 15 290 ILE
16 291 ILE 17 292 ILE 18 293 GLU 19 294 ASP 20 295 ARG
21 296 VAL 22 297 THR 23 298 GLY 24 299 LYS 25 300 GLY
26 301 PRO 27 302 HIS 28 303 ALA 29 304 LYS 30 305 LYS
31 306 GLY 32 307 THR 33 308 ARG 34 309 VAL 35 310 GLY
36 311 MET 37 312 ARG 38 313 TYR 39 314 VAL 40 315 GLY
41 316 LYS 42 317 LEU 43 318 LYS 44 319 ASN 45 320 GLY
46 321 LYS 47 322 VAL 48 323 PHE 49 324 ASP 50 325 LYS
51 326 ASN 52 327 THR 53 328 LYS 54 329 GLY 55 330 LYS
56 331 PRO 57 332 PHE 58 333 VAL 59 334 PHE 60 335 LYS
61 336 LEU 62 337 GLY 63 338 GLN 64 339 GLY 65 340 GLU
66 341 VAL 67 342 ILE 68 343 LYS 69 344 GLY 70 345 TRP
71 346 ASP 72 347 ILE 73 348 GLY 74 349 VAL 75 350 ALA
76 351 GLY 77 352 MET 78 353 ALA 79 354 VAL 80 355 GLY
81 356 GLY 82 357 GLU 83 358 ARG 84 359 ARG 85 360 ILE
86 361 VAL 87 362 ILE 88 363 PRO 89 364 ALA 90 365 PRO
91 366 TYR 92 367 ALA 93 368 TYR 94 369 GLY 95 370 LYS
96 371 GLN 97 372 ALA 98 373 LEU 99 374 PRO 100 375 GLY
101 376 ILE 102 377 PRO 103 378 ALA 104 379 ASN 105 380 SER
106 381 GLU 107 382 LEU 108 383 THR 109 384 PHE 110 385 ASP
111 386 VAL 112 387 LYS 113 388 LEU 114 389 VAL 115 390 SER
116 391 MET 117 392 LYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
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 4BF8 "Fpr4 Ppi Domain" 100.00 117 100.00 100.00 4.59e-75
DBJ GAA25303 "K7_Fpr4p [Saccharomyces cerevisiae Kyokai no. 7]" 96.58 398 100.00 100.00 4.66e-73
EMBL CAY81672 "Fpr4p [Saccharomyces cerevisiae EC1118]" 96.58 392 100.00 100.00 5.48e-73
GB AAB67528 "Ylr449wp [Saccharomyces cerevisiae]" 96.58 392 100.00 100.00 5.91e-73
GB AHY78796 "Fpr4p [Saccharomyces cerevisiae YJM993]" 96.58 392 100.00 100.00 5.48e-73
GB AJP40573 "Fpr4p [Saccharomyces cerevisiae YJM1078]" 96.58 392 100.00 100.00 4.42e-73
GB AJV46477 "Fpr4p [Saccharomyces cerevisiae YJM1083]" 96.58 393 100.00 100.00 5.11e-73
GB AJV46929 "Fpr4p [Saccharomyces cerevisiae YJM1129]" 96.58 392 100.00 100.00 5.48e-73
REF NP_013554 "peptidylprolyl isomerase FPR4 [Saccharomyces cerevisiae S288c]" 96.58 392 100.00 100.00 5.91e-73
SP Q06205 "RecName: Full=FK506-binding protein 4; AltName: Full=Peptidyl-prolyl cis-trans isomerase; Short=PPIase; AltName: Full=Rotamase" 96.58 392 100.00 100.00 5.91e-73
TPG DAA09749 "TPA: peptidylprolyl isomerase FPR4 [Saccharomyces cerevisiae S288c]" 96.58 392 100.00 100.00 5.91e-73
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Gene_mnemonic
$Fpr4p 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae FPR4
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
$Fpr4p 'recombinant technology' . Escherichia coli pLysY pET-His1a 'Fpr4p(280-392) inserted into pET-9d-modified plasmid using NcoI/Acc65I to include an N-terminal His6-tag followed by a TEV protease cleavage site'
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
$Fpr4p 0.2 mM '[U-99% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Fpr4p 0.2 mM '[U-99% 13C; U-99% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Fpr4p 0.2 mM '[U-99% 13C; U-99% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_4
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$Fpr4p 0.2 mM '[U-10% 13C; U-99% 15N]'
'sodium phosphate' 20 mM 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details '5 mm CPTXI 1H-13C/15N/D Z-GRD'
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details '5 mm PATXI 1H-13C/15N/D Z-GRD'
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_HNCACB_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_2
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_2
save_
save_3D_HNCA_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_2
save_
save_3D_HNCO_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_2
save_
save_3D_HCACO_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCACO'
_Sample_label $sample_2
save_
save_3D_HBHA(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_2
save_
save_3D_1H-15N_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_2
save_
save_3D_H(C)CH-TOCSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(C)CH-TOCSY'
_Sample_label $sample_3
save_
save_3D_(H)CCH-TOCSY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D (H)CCH-TOCSY'
_Sample_label $sample_3
save_
save_3D_1H-13C_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_3
save_
save_2D_1H-13C_HSQC_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_3
save_
save_2D_HBHD_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D HBHD'
_Sample_label $sample_3
save_
save_2D_HBHE_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D HBHE'
_Sample_label $sample_3
save_
save_2D_1H-13C_HSQCCT_15
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQCCT'
_Sample_label $sample_4
save_
save_2D_DQF-COSY_16
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D DQF-COSY'
_Sample_label $sample_4
save_
save_2D_1H-1H_TOCSY_17
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_4
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 170 . mM
pH 6.5 . pH
pressure 1 . atm
temperature 292 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 external indirect . . . 0.251449530
water H 1 protons ppm 4.77 internal direct . . . 1.000
DSS N 15 'methyl protons' ppm 0.00 external indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCACB'
'3D CBCA(CO)NH'
'3D HNCA'
'3D HNCO'
'3D HCACO'
'3D HBHA(CO)NH'
'3D 1H-15N NOESY'
'3D H(C)CH-TOCSY'
'3D (H)CCH-TOCSY'
'3D 1H-13C NOESY'
'2D 1H-13C HSQC'
'2D HBHD'
'2D HBHE'
'2D 1H-13C HSQCCT'
'2D DQF-COSY'
'2D 1H-1H TOCSY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
$sample_3
$sample_4
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name Fpr4p(280-392)
_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
1 276 1 GLY HA2 H 3.842 0.005 1
2 276 1 GLY HA3 H 3.842 0.005 1
3 276 1 GLY C C 170.005 0.2 1
4 276 1 GLY CA C 43.317 0.066 1
5 277 2 ALA H H 8.617 0.004 1
6 277 2 ALA HA H 4.353 0.008 1
7 277 2 ALA HB H 1.391 0.002 1
8 277 2 ALA C C 177.746 0.001 1
9 277 2 ALA CA C 52.569 0.101 1
10 277 2 ALA CB C 19.522 0.081 1
11 277 2 ALA N N 123.675 0.042 1
12 278 3 MET H H 8.492 0.002 1
13 278 3 MET HA H 4.458 0.007 1
14 278 3 MET HB2 H 2.016 0.003 2
15 278 3 MET HB3 H 2.081 0.014 2
16 278 3 MET HG2 H 2.579 0.002 2
17 278 3 MET HG3 H 2.622 0.002 2
18 278 3 MET HE H 2.107 0.02 1
19 278 3 MET C C 175.853 0.2 1
20 278 3 MET CA C 55.417 0.113 1
21 278 3 MET CB C 33.122 0.131 1
22 278 3 MET CG C 32.173 0.131 1
23 278 3 MET CE C 17.042 0.2 1
24 278 3 MET N N 120.324 0.037 1
25 279 4 ALA H H 8.41 0.002 1
26 279 4 ALA HA H 4.306 0.006 1
27 279 4 ALA HB H 1.376 0.007 1
28 279 4 ALA C C 177.352 0.001 1
29 279 4 ALA CA C 52.379 0.105 1
30 279 4 ALA CB C 19.393 0.13 1
31 279 4 ALA N N 126.36 0.052 1
32 280 5 LYS H H 8.369 0.002 1
33 280 5 LYS HA H 4.597 0.005 1
34 280 5 LYS HB2 H 1.73 0.007 2
35 280 5 LYS HB3 H 1.838 0.002 2
36 280 5 LYS HG2 H 1.474 0.003 2
37 280 5 LYS HG3 H 1.52 0.001 2
38 280 5 LYS HD2 H 1.71 0.002 1
39 280 5 LYS HD3 H 1.71 0.002 1
40 280 5 LYS HE2 H 3.013 0.002 1
41 280 5 LYS HE3 H 3.013 0.002 1
42 280 5 LYS CA C 54.402 0.117 1
43 280 5 LYS CB C 32.605 0.059 1
44 280 5 LYS CG C 24.91 0.061 1
45 280 5 LYS CD C 29.376 0.054 1
46 280 5 LYS CE C 42.227 0.018 1
47 280 5 LYS N N 122.38 0.044 1
48 281 6 PRO HA H 4.448 0.006 1
49 281 6 PRO HB2 H 1.87 0.006 2
50 281 6 PRO HB3 H 2.319 0.005 2
51 281 6 PRO HG2 H 2.028 0.004 1
52 281 6 PRO HG3 H 2.028 0.004 1
53 281 6 PRO HD2 H 3.651 0.004 2
54 281 6 PRO HD3 H 3.863 0.01 2
55 281 6 PRO C C 176.836 0.005 1
56 281 6 PRO CA C 63.257 0.096 1
57 281 6 PRO CB C 32.646 0.122 1
58 281 6 PRO CG C 27.822 0.099 1
59 281 6 PRO CD C 51.072 0.12 1
60 282 7 LYS H H 8.672 0.003 1
61 282 7 LYS HA H 4.44 0.006 1
62 282 7 LYS HB2 H 1.843 0.004 2
63 282 7 LYS HB3 H 1.957 0.01 2
64 282 7 LYS HG2 H 1.479 0.007 2
65 282 7 LYS HG3 H 1.559 0.004 2
66 282 7 LYS HD2 H 1.746 0.003 1
67 282 7 LYS HD3 H 1.746 0.003 1
68 282 7 LYS HE2 H 3.037 0.003 1
69 282 7 LYS HE3 H 3.037 0.003 1
70 282 7 LYS C C 176.471 0.2 1
71 282 7 LYS CA C 56.47 0.119 1
72 282 7 LYS CB C 32.873 0.095 1
73 282 7 LYS CG C 25.161 0.07 1
74 282 7 LYS CD C 29.246 0.05 1
75 282 7 LYS CE C 42.241 0.042 1
76 282 7 LYS N N 122.221 0.048 1
77 283 8 THR H H 7.876 0.002 1
78 283 8 THR HA H 5.079 0.01 1
79 283 8 THR HB H 4.087 0.008 1
80 283 8 THR HG2 H 1.112 0.004 1
81 283 8 THR C C 174.252 0.007 1
82 283 8 THR CA C 60.474 0.072 1
83 283 8 THR CB C 71.284 0.079 1
84 283 8 THR CG2 C 21.994 0.053 1
85 283 8 THR N N 113.742 0.038 1
86 284 9 LYS H H 8.797 0.002 1
87 284 9 LYS HA H 4.572 0.008 1
88 284 9 LYS HB2 H 1.608 0.011 2
89 284 9 LYS HB3 H 1.719 0.004 2
90 284 9 LYS HG2 H 1.381 0.011 2
91 284 9 LYS HG3 H 1.579 0.009 2
92 284 9 LYS HD2 H 1.642 0.002 1
93 284 9 LYS HD3 H 1.642 0.002 1
94 284 9 LYS HE2 H 2.941 0.004 1
95 284 9 LYS HE3 H 2.941 0.004 1
96 284 9 LYS C C 173.431 0.013 1
97 284 9 LYS CA C 55.628 0.136 1
98 284 9 LYS CB C 35.98 0.117 1
99 284 9 LYS CG C 25.15 0.075 1
100 284 9 LYS CD C 29.47 0.027 1
101 284 9 LYS CE C 42.226 0.014 1
102 284 9 LYS N N 122.297 0.048 1
103 285 10 LEU H H 8.188 0.003 1
104 285 10 LEU HA H 4.83 0.007 1
105 285 10 LEU HB2 H 1.444 0.004 2
106 285 10 LEU HB3 H 1.688 0.005 2
107 285 10 LEU HG H 1.54 0.004 1
108 285 10 LEU HD1 H 0.848 0.004 1
109 285 10 LEU HD2 H 0.848 0.004 1
110 285 10 LEU C C 176.42 0.2 1
111 285 10 LEU CA C 54.416 0.084 1
112 285 10 LEU CB C 43.462 0.061 1
113 285 10 LEU CG C 27.557 0.058 1
114 285 10 LEU CD1 C 24.724 0.033 1
115 285 10 LEU CD2 C 25.681 0.055 1
116 285 10 LEU N N 125.188 0.083 1
117 286 11 LEU H H 9.267 0.002 1
118 286 11 LEU HA H 4.638 0.006 1
119 286 11 LEU HB2 H 1.579 0.006 2
120 286 11 LEU HB3 H 1.629 0.003 2
121 286 11 LEU HG H 1.53 0.005 1
122 286 11 LEU HD1 H 0.836 0.006 1
123 286 11 LEU HD2 H 0.777 0.005 1
124 286 11 LEU C C 176.139 0.021 1
125 286 11 LEU CA C 52.709 0.117 1
126 286 11 LEU CB C 43.748 0.094 1
127 286 11 LEU CG C 27.334 0.085 1
128 286 11 LEU CD1 C 27.795 0.078 1
129 286 11 LEU CD2 C 22.28 0.041 1
130 286 11 LEU N N 127.074 0.061 1
131 287 12 GLU H H 7.891 0.003 1
132 287 12 GLU HA H 3.986 0.006 1
133 287 12 GLU HB2 H 1.812 0.01 2
134 287 12 GLU HB3 H 2.097 0.006 2
135 287 12 GLU HG2 H 2.117 0.003 2
136 287 12 GLU HG3 H 2.234 0.005 2
137 287 12 GLU C C 175.246 0.001 1
138 287 12 GLU CA C 57.404 0.083 1
139 287 12 GLU CB C 30.292 0.09 1
140 287 12 GLU CG C 36.02 0.036 1
141 287 12 GLU N N 120.052 0.036 1
142 288 13 GLY H H 8.371 0.003 1
143 288 13 GLY HA2 H 3.221 0.003 2
144 288 13 GLY HA3 H 3.445 0.005 2
145 288 13 GLY C C 174.42 0.2 1
146 288 13 GLY CA C 45.399 0.05 1
147 288 13 GLY N N 108.408 0.054 1
148 289 14 GLY H H 7.756 0.002 1
149 289 14 GLY HA2 H 3.493 0.003 2
150 289 14 GLY HA3 H 4.094 0.002 2
151 289 14 GLY C C 174.182 0.2 1
152 289 14 GLY CA C 45.089 0.05 1
153 289 14 GLY N N 104.024 0.041 1
154 290 15 ILE H H 6.681 0.003 1
155 290 15 ILE HA H 4.147 0.007 1
156 290 15 ILE HB H 1.576 0.006 1
157 290 15 ILE HG12 H 1.037 0.005 2
158 290 15 ILE HG13 H 1.482 0.007 2
159 290 15 ILE HG2 H 0.779 0.005 1
160 290 15 ILE HD1 H 0.827 0.009 1
161 290 15 ILE C C 174.031 0.001 1
162 290 15 ILE CA C 62.198 0.047 1
163 290 15 ILE CB C 39.045 0.125 1
164 290 15 ILE CG1 C 31.193 0.097 1
165 290 15 ILE CG2 C 17.997 0.05 1
166 290 15 ILE CD1 C 15.996 0.08 1
167 290 15 ILE N N 121.592 0.062 1
168 291 16 ILE H H 8.149 0.004 1
169 291 16 ILE HA H 4.994 0.007 1
170 291 16 ILE HB H 1.575 0.003 1
171 291 16 ILE HG12 H 0.944 0.007 2
172 291 16 ILE HG13 H 1.719 0.007 2
173 291 16 ILE HG2 H 0.851 0.005 1
174 291 16 ILE HD1 H 0.826 0.006 1
175 291 16 ILE C C 176.763 0.002 1
176 291 16 ILE CA C 59.805 0.104 1
177 291 16 ILE CB C 41.503 0.098 1
178 291 16 ILE CG1 C 27.894 0.057 1
179 291 16 ILE CG2 C 17.923 0.057 1
180 291 16 ILE CD1 C 13.626 0.058 1
181 291 16 ILE N N 127.396 0.058 1
182 292 17 ILE H H 8.785 0.002 1
183 292 17 ILE HA H 5.766 0.007 1
184 292 17 ILE HB H 1.539 0.004 1
185 292 17 ILE HG12 H 1 0.002 2
186 292 17 ILE HG13 H 1.64 0.006 2
187 292 17 ILE HG2 H 1.068 0.002 1
188 292 17 ILE HD1 H 0.839 0.005 1
189 292 17 ILE C C 175.167 0.001 1
190 292 17 ILE CA C 58.471 0.089 1
191 292 17 ILE CB C 43.384 0.128 1
192 292 17 ILE CG1 C 26.374 0.06 1
193 292 17 ILE CG2 C 20.862 0.062 1
194 292 17 ILE CD1 C 14.175 0.137 1
195 292 17 ILE N N 118.019 0.024 1
196 293 18 GLU H H 8.615 0.003 1
197 293 18 GLU HA H 4.712 0.006 1
198 293 18 GLU HB2 H 1.883 0.004 1
199 293 18 GLU HB3 H 1.883 0.004 1
200 293 18 GLU HG2 H 1.835 0.003 2
201 293 18 GLU HG3 H 2.189 0.002 2
202 293 18 GLU C C 176.019 0.2 1
203 293 18 GLU CA C 54.831 0.058 1
204 293 18 GLU CB C 33.721 0.066 1
205 293 18 GLU CG C 35.936 0.075 1
206 293 18 GLU N N 120.296 0.065 1
207 294 19 ASP H H 9.256 0.002 1
208 294 19 ASP HA H 5.202 0.008 1
209 294 19 ASP HB2 H 2.279 0.003 2
210 294 19 ASP HB3 H 2.548 0.01 2
211 294 19 ASP C C 175.272 0.001 1
212 294 19 ASP CA C 55.577 0.083 1
213 294 19 ASP CB C 41.455 0.112 1
214 294 19 ASP N N 127.943 0.062 1
215 295 20 ARG H H 8.532 0.003 1
216 295 20 ARG HA H 4.318 0.007 1
217 295 20 ARG HB2 H 1.686 0.008 2
218 295 20 ARG HB3 H 1.914 0.01 2
219 295 20 ARG HG2 H 1.652 0.01 1
220 295 20 ARG HG3 H 1.652 0.01 1
221 295 20 ARG HD2 H 3.174 0.005 1
222 295 20 ARG HD3 H 3.174 0.005 1
223 295 20 ARG HE H 7.328 0.001 1
224 295 20 ARG C C 176.898 0.001 1
225 295 20 ARG CA C 58.41 0.112 1
226 295 20 ARG CB C 31.09 0.096 1
227 295 20 ARG CG C 28.607 0.093 1
228 295 20 ARG CD C 43.189 0.045 1
229 295 20 ARG N N 126.879 0.059 1
230 295 20 ARG NE N 83.86 0.06 1
231 296 21 VAL H H 8.125 0.002 1
232 296 21 VAL HA H 4.295 0.007 1
233 296 21 VAL HB H 1.939 0.009 1
234 296 21 VAL HG1 H 0.953 0.003 1
235 296 21 VAL HG2 H 0.953 0.003 1
236 296 21 VAL C C 176.548 0.003 1
237 296 21 VAL CA C 62.129 0.109 1
238 296 21 VAL CB C 36.629 0.129 1
239 296 21 VAL CG1 C 21.447 0.035 1
240 296 21 VAL CG2 C 21.447 0.035 1
241 296 21 VAL N N 117.255 0.047 1
242 297 22 THR H H 9.303 0.003 1
243 297 22 THR HA H 4.393 0.008 1
244 297 22 THR HB H 4.12 0.007 1
245 297 22 THR HG2 H 1.34 0.005 1
246 297 22 THR C C 175.028 0.007 1
247 297 22 THR CA C 62.793 0.06 1
248 297 22 THR CB C 69.278 0.078 1
249 297 22 THR CG2 C 21.923 0.089 1
250 297 22 THR N N 126.175 0.066 1
251 298 23 GLY H H 9.038 0.004 1
252 298 23 GLY HA2 H 3.377 0.008 2
253 298 23 GLY HA3 H 3.995 0.006 2
254 298 23 GLY C C 172.277 0.2 1
255 298 23 GLY CA C 44.499 0.071 1
256 298 23 GLY N N 113.495 0.049 1
257 299 24 LYS H H 8.097 0.003 1
258 299 24 LYS HA H 4.642 0.008 1
259 299 24 LYS HB2 H 1.712 0.007 2
260 299 24 LYS HB3 H 1.808 0.008 2
261 299 24 LYS HG2 H 1.384 0.001 2
262 299 24 LYS HG3 H 1.458 0.004 2
263 299 24 LYS HD2 H 1.665 0.002 1
264 299 24 LYS HD3 H 1.665 0.002 1
265 299 24 LYS HE2 H 2.983 0.003 1
266 299 24 LYS HE3 H 2.983 0.003 1
267 299 24 LYS C C 176.472 0.012 1
268 299 24 LYS CA C 54.92 0.041 1
269 299 24 LYS CB C 35.797 0.11 1
270 299 24 LYS CG C 25.077 0.046 1
271 299 24 LYS CD C 29.287 0.104 1
272 299 24 LYS CE C 42.202 0.049 1
273 299 24 LYS N N 117.891 0.072 1
274 300 25 GLY H H 8.704 0.002 1
275 300 25 GLY HA2 H 3.795 0.004 2
276 300 25 GLY HA3 H 4.377 0.004 2
277 300 25 GLY CA C 44.327 0.075 1
278 300 25 GLY N N 111.63 0.05 1
279 301 26 PRO HA H 4.245 0.009 1
280 301 26 PRO HB2 H 1.825 0.008 2
281 301 26 PRO HB3 H 2.28 0.009 2
282 301 26 PRO HG2 H 1.969 0.006 1
283 301 26 PRO HG3 H 1.969 0.006 1
284 301 26 PRO HD2 H 3.558 0.004 2
285 301 26 PRO HD3 H 3.704 0.013 2
286 301 26 PRO C C 175.283 0.001 1
287 301 26 PRO CA C 62.812 0.087 1
288 301 26 PRO CB C 32.598 0.126 1
289 301 26 PRO CG C 27.57 0.079 1
290 301 26 PRO CD C 50.22 0.111 1
291 302 27 HIS H H 8.271 0.004 1
292 302 27 HIS HA H 4.789 0.011 1
293 302 27 HIS HB2 H 2.703 0.009 2
294 302 27 HIS HB3 H 2.96 0.011 2
295 302 27 HIS HD2 H 7.012 0.014 1
296 302 27 HIS HE1 H 8.136 0.2 1
297 302 27 HIS C C 175.959 0.001 1
298 302 27 HIS CA C 53.594 0.047 1
299 302 27 HIS CB C 31.625 0.068 1
300 302 27 HIS CD2 C 118.844 0.2 1
301 302 27 HIS CE1 C 137.122 0.2 1
302 302 27 HIS N N 116.171 0.016 1
303 303 28 ALA H H 9.291 0.002 1
304 303 28 ALA HA H 4.105 0.011 1
305 303 28 ALA HB H 1.268 0.005 1
306 303 28 ALA C C 176.669 0.001 1
307 303 28 ALA CA C 53.154 0.07 1
308 303 28 ALA CB C 18.71 0.075 1
309 303 28 ALA N N 124.665 0.057 1
310 304 29 LYS H H 8.452 0.002 1
311 304 29 LYS HA H 4.686 0.008 1
312 304 29 LYS HB2 H 1.86 0.012 1
313 304 29 LYS HB3 H 1.86 0.012 1
314 304 29 LYS HG2 H 1.339 0.007 1
315 304 29 LYS HG3 H 1.339 0.007 1
316 304 29 LYS HD2 H 1.669 0.003 1
317 304 29 LYS HD3 H 1.669 0.003 1
318 304 29 LYS HE2 H 2.996 0.008 1
319 304 29 LYS HE3 H 2.996 0.008 1
320 304 29 LYS C C 174.147 0.013 1
321 304 29 LYS CA C 54.218 0.112 1
322 304 29 LYS CB C 35.93 0.112 1
323 304 29 LYS CG C 23.174 0.036 1
324 304 29 LYS CD C 29.69 0.095 1
325 304 29 LYS CE C 42.218 0.051 1
326 304 29 LYS N N 123.001 0.051 1
327 305 30 LYS H H 8.422 0.002 1
328 305 30 LYS HA H 3.75 0.006 1
329 305 30 LYS HB2 H 1.73 0.007 2
330 305 30 LYS HB3 H 1.854 0.009 2
331 305 30 LYS HG2 H 1.336 0.009 2
332 305 30 LYS HG3 H 1.492 0.01 2
333 305 30 LYS HD2 H 1.759 0.013 1
334 305 30 LYS HD3 H 1.759 0.013 1
335 305 30 LYS HE2 H 3.027 0.009 1
336 305 30 LYS HE3 H 3.027 0.009 1
337 305 30 LYS C C 177.615 0.004 1
338 305 30 LYS CA C 59.509 0.055 1
339 305 30 LYS CB C 31.922 0.15 1
340 305 30 LYS CG C 25.684 0.064 1
341 305 30 LYS CD C 29.781 0.058 1
342 305 30 LYS CE C 42.1 0.066 1
343 305 30 LYS N N 120.437 0.045 1
344 306 31 GLY H H 8.931 0.004 1
345 306 31 GLY HA2 H 3.45 0.003 2
346 306 31 GLY HA3 H 4.518 0.005 2
347 306 31 GLY C C 174.277 0.2 1
348 306 31 GLY CA C 45.028 0.045 1
349 306 31 GLY N N 115.055 0.046 1
350 307 32 THR H H 8.615 0.002 1
351 307 32 THR HA H 4.127 0.011 1
352 307 32 THR HB H 4.03 0.013 1
353 307 32 THR HG2 H 1.288 0.004 1
354 307 32 THR C C 172.996 0.01 1
355 307 32 THR CA C 64.28 0.08 1
356 307 32 THR CB C 69.403 0.074 1
357 307 32 THR CG2 C 24.185 0.096 1
358 307 32 THR N N 119.796 0.048 1
359 308 33 ARG H H 8.901 0.003 1
360 308 33 ARG HA H 4.66 0.004 1
361 308 33 ARG HB2 H 1.579 0.006 2
362 308 33 ARG HB3 H 1.675 0.004 2
363 308 33 ARG HG2 H 1.215 0.006 2
364 308 33 ARG HG3 H 1.366 0.005 2
365 308 33 ARG HD2 H 3.052 0.005 1
366 308 33 ARG HD3 H 3.052 0.005 1
367 308 33 ARG HE H 7.286 0.001 1
368 308 33 ARG C C 175.18 0.011 1
369 308 33 ARG CA C 55.88 0.127 1
370 308 33 ARG CB C 30.346 0.078 1
371 308 33 ARG CG C 27.777 0.069 1
372 308 33 ARG CD C 43.624 0.075 1
373 308 33 ARG N N 127.859 0.047 1
374 308 33 ARG NE N 84.212 0.01 1
375 309 34 VAL H H 8.724 0.003 1
376 309 34 VAL HA H 4.65 0.007 1
377 309 34 VAL HB H 1.768 0.005 1
378 309 34 VAL HG1 H 0.663 0.006 1
379 309 34 VAL HG2 H 0.136 0.006 1
380 309 34 VAL C C 172.91 0.012 1
381 309 34 VAL CA C 59.488 0.102 1
382 309 34 VAL CB C 34.064 0.125 1
383 309 34 VAL CG1 C 23.702 0.078 1
384 309 34 VAL CG2 C 19.185 0.11 1
385 309 34 VAL N N 122.909 0.067 1
386 310 35 GLY H H 8.158 0.002 1
387 310 35 GLY HA2 H 3.289 0.009 2
388 310 35 GLY HA3 H 5.078 0.011 2
389 310 35 GLY C C 174.098 0.2 1
390 310 35 GLY CA C 44.152 0.064 1
391 310 35 GLY N N 107.807 0.039 1
392 311 36 MET H H 9.813 0.002 1
393 311 36 MET HA H 5.75 0.01 1
394 311 36 MET HB2 H 2.167 0.005 2
395 311 36 MET HB3 H 2.281 0.003 2
396 311 36 MET HG2 H 2.491 0.003 2
397 311 36 MET HG3 H 2.641 0.006 2
398 311 36 MET HE H 1.058 0.028 1
399 311 36 MET C C 175.64 0.002 1
400 311 36 MET CA C 54.683 0.11 1
401 311 36 MET CB C 37.383 0.092 1
402 311 36 MET CG C 31.62 0.054 1
403 311 36 MET CE C 16.703 0.053 1
404 311 36 MET N N 122.482 0.046 1
405 312 37 ARG H H 8.854 0.002 1
406 312 37 ARG HA H 4.887 0.007 1
407 312 37 ARG HB2 H 2.218 0.012 1
408 312 37 ARG HB3 H 2.218 0.012 1
409 312 37 ARG HG2 H 1.652 0.006 2
410 312 37 ARG HG3 H 1.779 0.004 2
411 312 37 ARG HD2 H 2.884 0.008 2
412 312 37 ARG HD3 H 3.176 0.006 2
413 312 37 ARG HE H 7.308 0.005 1
414 312 37 ARG C C 176.227 0.2 1
415 312 37 ARG CA C 53.788 0.104 1
416 312 37 ARG CB C 32.418 0.123 1
417 312 37 ARG CG C 26.698 0.095 1
418 312 37 ARG CD C 43.412 0.074 1
419 312 37 ARG N N 118.976 0.036 1
420 312 37 ARG NE N 84.2 0.023 1
421 313 38 TYR H H 8.935 0.003 1
422 313 38 TYR HA H 5.947 0.009 1
423 313 38 TYR HB2 H 2.837 0.011 2
424 313 38 TYR HB3 H 3.204 0.008 2
425 313 38 TYR HD1 H 6.716 0.004 1
426 313 38 TYR HD2 H 6.716 0.004 1
427 313 38 TYR HE1 H 6.547 0.005 1
428 313 38 TYR HE2 H 6.547 0.005 1
429 313 38 TYR C C 173.104 0.003 1
430 313 38 TYR CA C 57.126 0.082 1
431 313 38 TYR CB C 42.51 0.113 1
432 313 38 TYR CD1 C 133.075 0.025 1
433 313 38 TYR CD2 C 133.075 0.025 1
434 313 38 TYR CE1 C 117.642 0.06 1
435 313 38 TYR CE2 C 117.642 0.06 1
436 313 38 TYR N N 115.406 0.056 1
437 314 39 VAL H H 8.457 0.003 1
438 314 39 VAL HA H 4.182 0.01 1
439 314 39 VAL HB H 2.062 0.008 1
440 314 39 VAL HG1 H 0.954 0.006 1
441 314 39 VAL HG2 H 0.971 0.009 1
442 314 39 VAL C C 174.868 0.004 1
443 314 39 VAL CA C 63.216 0.13 1
444 314 39 VAL CB C 35.886 0.148 1
445 314 39 VAL CG1 C 22.311 0.124 1
446 314 39 VAL CG2 C 21.679 0.161 1
447 314 39 VAL N N 118.76 0.105 1
448 315 40 GLY H H 8.993 0.002 1
449 315 40 GLY HA2 H 2.169 0.002 2
450 315 40 GLY HA3 H 4.345 0.004 2
451 315 40 GLY C C 171.288 0.2 1
452 315 40 GLY CA C 45.541 0.059 1
453 315 40 GLY N N 116.218 0.048 1
454 316 41 LYS H H 9.313 0.002 1
455 316 41 LYS HA H 5.419 0.009 1
456 316 41 LYS HB2 H 1.472 0.005 2
457 316 41 LYS HB3 H 1.69 0.01 2
458 316 41 LYS HG2 H 1.157 0.006 2
459 316 41 LYS HG3 H 1.24 0.002 2
460 316 41 LYS HD2 H 1.538 0.005 2
461 316 41 LYS HD3 H 1.583 0.006 2
462 316 41 LYS HE2 H 2.743 0.004 1
463 316 41 LYS HE3 H 2.743 0.004 1
464 316 41 LYS C C 176.407 0.004 1
465 316 41 LYS CA C 54.576 0.096 1
466 316 41 LYS CB C 37.837 0.095 1
467 316 41 LYS CG C 25.542 0.052 1
468 316 41 LYS CD C 29.942 0.066 1
469 316 41 LYS CE C 41.798 0.076 1
470 316 41 LYS N N 125.034 0.089 1
471 317 42 LEU H H 8.45 0.002 1
472 317 42 LEU HA H 4.821 0.007 1
473 317 42 LEU HB2 H 1.876 0.011 2
474 317 42 LEU HB3 H 2.219 0.014 2
475 317 42 LEU HG H 2.005 0.005 1
476 317 42 LEU HD1 H 1.108 0.004 1
477 317 42 LEU HD2 H 0.86 0.005 1
478 317 42 LEU C C 179.872 0.2 1
479 317 42 LEU CA C 53.461 0.115 1
480 317 42 LEU CB C 42.281 0.109 1
481 317 42 LEU CG C 27.798 0.103 1
482 317 42 LEU CD1 C 25.895 0.06 1
483 317 42 LEU CD2 C 22.579 0.047 1
484 317 42 LEU N N 118.796 0.047 1
485 318 43 LYS H H 9.58 0.002 1
486 318 43 LYS HA H 4.064 0.006 1
487 318 43 LYS HB2 H 1.882 0.008 1
488 318 43 LYS HB3 H 1.882 0.008 1
489 318 43 LYS HG2 H 1.477 0.002 2
490 318 43 LYS HG3 H 1.52 0.007 2
491 318 43 LYS HD2 H 1.696 0.003 1
492 318 43 LYS HD3 H 1.696 0.003 1
493 318 43 LYS HE2 H 2.991 0.004 1
494 318 43 LYS HE3 H 2.991 0.004 1
495 318 43 LYS C C 177.432 0.2 1
496 318 43 LYS CA C 59.761 0.094 1
497 318 43 LYS CB C 32.673 0.09 1
498 318 43 LYS CG C 25.205 0.064 1
499 318 43 LYS CD C 29.634 0.068 1
500 318 43 LYS CE C 42.06 0.041 1
501 318 43 LYS N N 124.461 0.029 1
502 319 44 ASN H H 7.718 0.002 1
503 319 44 ASN HA H 4.507 0.005 1
504 319 44 ASN HB2 H 2.812 0.007 2
505 319 44 ASN HB3 H 3.255 0.01 2
506 319 44 ASN HD21 H 6.494 0.002 2
507 319 44 ASN HD22 H 7.395 0.001 2
508 319 44 ASN C C 176.631 0.004 1
509 319 44 ASN CA C 52.663 0.075 1
510 319 44 ASN CB C 37.287 0.065 1
511 319 44 ASN N N 113.357 0.036 1
512 319 44 ASN ND2 N 107.354 0.143 1
513 320 45 GLY H H 8.241 0.003 1
514 320 45 GLY HA2 H 3.552 0.006 2
515 320 45 GLY HA3 H 4.336 0.005 2
516 320 45 GLY C C 173.908 0.2 1
517 320 45 GLY CA C 45.089 0.054 1
518 320 45 GLY N N 108.331 0.028 1
519 321 46 LYS H H 7.853 0.003 1
520 321 46 LYS HA H 4.141 0.008 1
521 321 46 LYS HB2 H 1.841 0.005 2
522 321 46 LYS HB3 H 1.874 0.003 2
523 321 46 LYS HG2 H 1.34 0.018 2
524 321 46 LYS HG3 H 1.418 0.009 2
525 321 46 LYS HD2 H 1.667 0.009 2
526 321 46 LYS HD3 H 1.739 0.011 2
527 321 46 LYS HE2 H 2.994 0.004 1
528 321 46 LYS HE3 H 2.994 0.004 1
529 321 46 LYS C C 176.308 0.005 1
530 321 46 LYS CA C 57.079 0.075 1
531 321 46 LYS CB C 32.947 0.127 1
532 321 46 LYS CG C 25.255 0.095 1
533 321 46 LYS CD C 29.419 0.037 1
534 321 46 LYS CE C 42.263 0.055 1
535 321 46 LYS N N 121.658 0.046 1
536 322 47 VAL H H 8.561 0.002 1
537 322 47 VAL HA H 4.447 0.011 1
538 322 47 VAL HB H 1.932 0.02 1
539 322 47 VAL HG1 H 0.836 0.008 1
540 322 47 VAL HG2 H 0.836 0.008 1
541 322 47 VAL C C 177.098 0.003 1
542 322 47 VAL CA C 62.401 0.108 1
543 322 47 VAL CB C 32.674 0.084 1
544 322 47 VAL CG1 C 21.551 0.207 1
545 322 47 VAL CG2 C 21.551 0.207 1
546 322 47 VAL N N 126.528 0.052 1
547 323 48 PHE H H 8.309 0.002 1
548 323 48 PHE HA H 5.069 0.008 1
549 323 48 PHE HB2 H 2.704 0.012 2
550 323 48 PHE HB3 H 3.311 0.012 2
551 323 48 PHE HD1 H 7.035 0.003 1
552 323 48 PHE HD2 H 7.035 0.003 1
553 323 48 PHE HE1 H 7.282 0.007 1
554 323 48 PHE HE2 H 7.282 0.007 1
555 323 48 PHE HZ H 6.754 0.006 1
556 323 48 PHE C C 174.683 0.003 1
557 323 48 PHE CA C 56.231 0.086 1
558 323 48 PHE CB C 41.106 0.177 1
559 323 48 PHE CD1 C 132.776 0.073 1
560 323 48 PHE CD2 C 132.776 0.073 1
561 323 48 PHE CE1 C 130.983 0.2 1
562 323 48 PHE CE2 C 130.983 0.2 1
563 323 48 PHE CZ C 130.75 0.001 1
564 323 48 PHE N N 124.535 0.053 1
565 324 49 ASP H H 6.922 0.002 1
566 324 49 ASP HA H 4.873 0.003 1
567 324 49 ASP HB2 H 2.263 0.008 2
568 324 49 ASP HB3 H 3.406 0.006 2
569 324 49 ASP C C 172.943 0.2 1
570 324 49 ASP CA C 54.6 0.08 1
571 324 49 ASP CB C 44.63 0.11 1
572 324 49 ASP N N 119.808 0.039 1
573 325 50 LYS H H 8.078 0.003 1
574 325 50 LYS HA H 4.411 0.015 1
575 325 50 LYS HB2 H 1.847 0.003 2
576 325 50 LYS HB3 H 1.936 0.008 2
577 325 50 LYS HG2 H 1.21 0.003 2
578 325 50 LYS HG3 H 1.373 0.006 2
579 325 50 LYS HD2 H 1.591 0.002 1
580 325 50 LYS HD3 H 1.591 0.002 1
581 325 50 LYS HE2 H 2.936 0.005 1
582 325 50 LYS HE3 H 2.936 0.005 1
583 325 50 LYS C C 173.422 0.007 1
584 325 50 LYS CA C 55.561 0.037 1
585 325 50 LYS CB C 35.521 0.104 1
586 325 50 LYS CG C 23.042 0.069 1
587 325 50 LYS CD C 29.991 0.075 1
588 325 50 LYS CE C 42.252 0.078 1
589 325 50 LYS N N 118.511 0.056 1
590 326 51 ASN H H 8.318 0.003 1
591 326 51 ASN HA H 4.746 0.059 1
592 326 51 ASN HB2 H 2.423 0.011 2
593 326 51 ASN HB3 H 2.677 0.018 2
594 326 51 ASN HD21 H 7.262 0.005 2
595 326 51 ASN HD22 H 7.704 0.001 2
596 326 51 ASN C C 174.632 0.074 1
597 326 51 ASN CA C 53.906 0.079 1
598 326 51 ASN CB C 40.762 0.077 1
599 326 51 ASN CG C 175.161 0.2 1
600 326 51 ASN N N 118.207 0.047 1
601 326 51 ASN ND2 N 111.347 0.216 1
602 327 52 THR H H 8.754 0.003 1
603 327 52 THR HA H 4.366 0.012 1
604 327 52 THR HB H 4.269 0.003 1
605 327 52 THR HG2 H 1.074 0.004 1
606 327 52 THR C C 173.873 0.006 1
607 327 52 THR CA C 62.04 0.109 1
608 327 52 THR CB C 70.217 0.101 1
609 327 52 THR CG2 C 22.267 0.041 1
610 327 52 THR N N 113.614 0.056 1
611 328 53 LYS H H 7.982 0.003 1
612 328 53 LYS HA H 4.457 0.006 1
613 328 53 LYS HB2 H 1.758 0.007 2
614 328 53 LYS HB3 H 1.923 0.005 2
615 328 53 LYS HG2 H 1.283 0.005 2
616 328 53 LYS HG3 H 1.383 0.008 2
617 328 53 LYS HD2 H 1.616 0.004 1
618 328 53 LYS HD3 H 1.616 0.004 1
619 328 53 LYS HE2 H 2.94 0.006 1
620 328 53 LYS HE3 H 2.94 0.006 1
621 328 53 LYS C C 175.504 0.017 1
622 328 53 LYS CA C 55.637 0.067 1
623 328 53 LYS CB C 34.058 0.054 1
624 328 53 LYS CG C 23.718 0.073 1
625 328 53 LYS CD C 29.454 0.081 1
626 328 53 LYS CE C 42.251 0.126 1
627 328 53 LYS N N 121.009 0.045 1
628 329 54 GLY H H 8.634 0.002 1
629 329 54 GLY HA2 H 3.857 0.005 2
630 329 54 GLY HA3 H 4.12 0.006 2
631 329 54 GLY C C 175.363 0.2 1
632 329 54 GLY CA C 44.698 0.056 1
633 329 54 GLY N N 109.016 0.019 1
634 330 55 LYS H H 8.787 0.003 1
635 330 55 LYS HA H 4.567 0.007 1
636 330 55 LYS HB2 H 1.795 0.008 2
637 330 55 LYS HB3 H 1.909 0.005 2
638 330 55 LYS HG2 H 1.328 0.003 2
639 330 55 LYS HG3 H 1.39 0.001 2
640 330 55 LYS HD2 H 1.655 0.002 2
641 330 55 LYS HD3 H 1.743 0.002 2
642 330 55 LYS HE2 H 2.943 0.003 2
643 330 55 LYS HE3 H 3.032 0.003 2
644 330 55 LYS C C 175.193 0.2 1
645 330 55 LYS CA C 55.449 0.124 1
646 330 55 LYS CB C 32.147 0.051 1
647 330 55 LYS CG C 25.214 0.063 1
648 330 55 LYS CD C 29.43 0.042 1
649 330 55 LYS CE C 42.162 0.063 1
650 330 55 LYS N N 126.552 0.058 1
651 331 56 PRO HA H 4.408 0.007 1
652 331 56 PRO HB2 H 1.598 0.004 2
653 331 56 PRO HB3 H 1.78 0.006 2
654 331 56 PRO HG2 H 1.69 0.01 2
655 331 56 PRO HG3 H 1.892 0.009 2
656 331 56 PRO HD2 H 3.603 0.01 2
657 331 56 PRO HD3 H 3.944 0.008 2
658 331 56 PRO C C 174.492 0.009 1
659 331 56 PRO CA C 62.807 0.085 1
660 331 56 PRO CB C 31.931 0.116 1
661 331 56 PRO CG C 27.621 0.05 1
662 331 56 PRO CD C 50.823 0.116 1
663 332 57 PHE H H 8.565 0.004 1
664 332 57 PHE HA H 4.729 0.013 1
665 332 57 PHE HB2 H 3.239 0.008 2
666 332 57 PHE HB3 H 3.449 0.005 2
667 332 57 PHE HD1 H 7.304 0.007 1
668 332 57 PHE HD2 H 7.304 0.007 1
669 332 57 PHE HE1 H 7.005 0.009 1
670 332 57 PHE HE2 H 7.005 0.009 1
671 332 57 PHE HZ H 7.096 0.012 1
672 332 57 PHE C C 174.673 0.013 1
673 332 57 PHE CA C 58.315 0.066 1
674 332 57 PHE CB C 40.425 0.106 1
675 332 57 PHE CD1 C 131.867 0.037 1
676 332 57 PHE CD2 C 131.867 0.037 1
677 332 57 PHE CE1 C 131.654 0.097 1
678 332 57 PHE CE2 C 131.654 0.097 1
679 332 57 PHE CZ C 129.945 0.074 1
680 332 57 PHE N N 123.424 0.042 1
681 333 58 VAL H H 7.821 0.003 1
682 333 58 VAL HA H 5.651 0.008 1
683 333 58 VAL HB H 1.662 0.005 1
684 333 58 VAL HG1 H 0.638 0.005 1
685 333 58 VAL HG2 H 0.757 0.003 1
686 333 58 VAL C C 175.395 0.001 1
687 333 58 VAL CA C 59.688 0.104 1
688 333 58 VAL CB C 34.173 0.11 1
689 333 58 VAL CG1 C 21.134 0.075 1
690 333 58 VAL CG2 C 21.159 0.037 1
691 333 58 VAL N N 129.16 0.07 1
692 334 59 PHE H H 8.467 0.004 1
693 334 59 PHE HA H 4.711 0.01 1
694 334 59 PHE HB2 H 2.957 0.01 2
695 334 59 PHE HB3 H 3.035 0.007 2
696 334 59 PHE HD1 H 6.82 0.006 1
697 334 59 PHE HD2 H 6.82 0.006 1
698 334 59 PHE HE1 H 7.134 0.007 1
699 334 59 PHE HE2 H 7.134 0.007 1
700 334 59 PHE HZ H 6.707 0.005 1
701 334 59 PHE C C 171.372 0.011 1
702 334 59 PHE CA C 55.66 0.106 1
703 334 59 PHE CB C 40.892 0.094 1
704 334 59 PHE CD1 C 132.95 0.024 1
705 334 59 PHE CD2 C 132.95 0.024 1
706 334 59 PHE CE1 C 131.313 0.032 1
707 334 59 PHE CE2 C 131.313 0.032 1
708 334 59 PHE CZ C 128.341 0.2 1
709 334 59 PHE N N 122.091 0.028 1
710 335 60 LYS H H 8.788 0.002 1
711 335 60 LYS HA H 4.685 0.007 1
712 335 60 LYS HB2 H 1.517 0.01 2
713 335 60 LYS HB3 H 1.681 0.009 2
714 335 60 LYS HG2 H 1.058 0.004 2
715 335 60 LYS HG3 H 1.133 0.004 2
716 335 60 LYS HD2 H 1.662 0.007 2
717 335 60 LYS HD3 H 1.7 0.006 2
718 335 60 LYS HE2 H 2.896 0.005 2
719 335 60 LYS HE3 H 2.979 0.002 2
720 335 60 LYS C C 175.873 0.013 1
721 335 60 LYS CA C 54.755 0.116 1
722 335 60 LYS CB C 33.331 0.086 1
723 335 60 LYS CG C 25.432 0.077 1
724 335 60 LYS CD C 29.473 0.117 1
725 335 60 LYS CE C 41.814 0.058 1
726 335 60 LYS N N 121.325 0.104 1
727 336 61 LEU H H 8.591 0.002 1
728 336 61 LEU HA H 4.23 0.008 1
729 336 61 LEU HB2 H 1.469 0.006 2
730 336 61 LEU HB3 H 1.874 0.008 2
731 336 61 LEU HG H 1.681 0.007 1
732 336 61 LEU HD1 H 0.915 0.008 1
733 336 61 LEU HD2 H 0.726 0.005 1
734 336 61 LEU C C 179.168 0.001 1
735 336 61 LEU CA C 57.544 0.118 1
736 336 61 LEU CB C 42.142 0.087 1
737 336 61 LEU CG C 28.562 0.1 1
738 336 61 LEU CD1 C 26.669 0.042 1
739 336 61 LEU CD2 C 25.916 0.17 1
740 336 61 LEU N N 129.539 0.051 1
741 337 62 GLY H H 9.885 0.003 1
742 337 62 GLY HA2 H 3.788 0.007 2
743 337 62 GLY HA3 H 4.09 0.015 2
744 337 62 GLY C C 174.071 0.2 1
745 337 62 GLY CA C 46.549 0.058 1
746 337 62 GLY N N 115.39 0.072 1
747 338 63 GLN H H 8.087 0.005 1
748 338 63 GLN HA H 4.582 0.009 1
749 338 63 GLN HB2 H 1.92 0.01 2
750 338 63 GLN HB3 H 2.447 0.009 2
751 338 63 GLN HG2 H 2.196 0.005 2
752 338 63 GLN HG3 H 2.387 0.01 2
753 338 63 GLN HE21 H 7.037 0.002 2
754 338 63 GLN HE22 H 7.538 0.002 2
755 338 63 GLN C C 176.065 0.003 1
756 338 63 GLN CA C 54.467 0.054 1
757 338 63 GLN CB C 30.361 0.073 1
758 338 63 GLN CG C 34.15 0.043 1
759 338 63 GLN CD C 179.851 0.015 1
760 338 63 GLN N N 117.275 0.073 1
761 338 63 GLN NE2 N 112.472 0.202 1
762 339 64 GLY H H 8.947 0.003 1
763 339 64 GLY HA2 H 4.096 0.017 1
764 339 64 GLY HA3 H 4.096 0.017 1
765 339 64 GLY C C 175.823 0.2 1
766 339 64 GLY CA C 46.548 0.055 1
767 339 64 GLY N N 111.022 0.05 1
768 340 65 GLU H H 9.198 0.002 1
769 340 65 GLU HA H 4.221 0.009 1
770 340 65 GLU HB2 H 2.224 0.024 1
771 340 65 GLU HB3 H 2.224 0.024 1
772 340 65 GLU HG2 H 2.338 0.009 1
773 340 65 GLU HG3 H 2.338 0.009 1
774 340 65 GLU C C 175.472 0.003 1
775 340 65 GLU CA C 57.594 0.083 1
776 340 65 GLU CB C 31.023 0.064 1
777 340 65 GLU CG C 37.394 0.055 1
778 340 65 GLU N N 118.968 0.031 1
779 341 66 VAL H H 6.893 0.002 1
780 341 66 VAL HA H 4.362 0.007 1
781 341 66 VAL HB H 1.74 0.005 1
782 341 66 VAL HG1 H 0.177 0.006 1
783 341 66 VAL HG2 H 0.336 0.005 1
784 341 66 VAL C C 175.638 0.002 1
785 341 66 VAL CA C 58.116 0.119 1
786 341 66 VAL CB C 36.608 0.121 1
787 341 66 VAL CG1 C 21.856 0.052 1
788 341 66 VAL CG2 C 18.612 0.123 1
789 341 66 VAL N N 108.972 0.032 1
790 342 67 ILE H H 7.542 0.004 1
791 342 67 ILE HA H 3.895 0.007 1
792 342 67 ILE HB H 1.875 0.009 1
793 342 67 ILE HG12 H 0.477 0.019 2
794 342 67 ILE HG13 H 1.018 0.008 2
795 342 67 ILE HG2 H 0.143 0.006 1
796 342 67 ILE HD1 H 0.344 0.032 1
797 342 67 ILE C C 177.391 0.003 1
798 342 67 ILE CA C 62.257 0.072 1
799 342 67 ILE CB C 38.597 0.12 1
800 342 67 ILE CG1 C 25.032 0.079 1
801 342 67 ILE CG2 C 18.202 0.041 1
802 342 67 ILE CD1 C 14.601 0.173 1
803 342 67 ILE N N 113.04 0.049 1
804 343 68 LYS H H 8.803 0.003 1
805 343 68 LYS HA H 4.228 0.011 1
806 343 68 LYS HB2 H 1.828 0.005 1
807 343 68 LYS HB3 H 1.828 0.005 1
808 343 68 LYS HG2 H 1.556 0.003 2
809 343 68 LYS HG3 H 1.599 0.003 2
810 343 68 LYS HD2 H 1.583 0.005 1
811 343 68 LYS HD3 H 1.583 0.005 1
812 343 68 LYS HE2 H 2.831 0.004 2
813 343 68 LYS HE3 H 2.885 0.006 2
814 343 68 LYS C C 179.898 0.001 1
815 343 68 LYS CA C 59.831 0.094 1
816 343 68 LYS CB C 33.188 0.118 1
817 343 68 LYS CG C 25.583 0.076 1
818 343 68 LYS CD C 29.322 0.045 1
819 343 68 LYS CE C 41.815 0.092 1
820 343 68 LYS N N 124.357 0.043 1
821 344 69 GLY H H 9.337 0.002 1
822 344 69 GLY HA2 H 3.697 0.013 2
823 344 69 GLY HA3 H 4.033 0.009 2
824 344 69 GLY C C 175.485 0.2 1
825 344 69 GLY CA C 47.619 0.113 1
826 344 69 GLY N N 100.344 0.041 1
827 345 70 TRP H H 7.662 0.002 1
828 345 70 TRP HA H 4.455 0.009 1
829 345 70 TRP HB2 H 2.769 0.006 2
830 345 70 TRP HB3 H 2.863 0.004 2
831 345 70 TRP HD1 H 6.294 0.01 1
832 345 70 TRP HE1 H 6.024 0.2 1
833 345 70 TRP HE3 H 6.588 0.008 1
834 345 70 TRP HZ2 H 5.795 0.003 1
835 345 70 TRP HZ3 H 6.282 0.001 1
836 345 70 TRP HH2 H 5.69 0.002 1
837 345 70 TRP C C 176.809 0.001 1
838 345 70 TRP CA C 58.899 0.115 1
839 345 70 TRP CB C 29.598 0.082 1
840 345 70 TRP CD1 C 120.566 0.2 1
841 345 70 TRP CE3 C 119.831 0.2 1
842 345 70 TRP CZ2 C 112.974 0.057 1
843 345 70 TRP CZ3 C 121.5 0.2 1
844 345 70 TRP CH2 C 124.071 0.064 1
845 345 70 TRP N N 120.593 0.033 1
846 345 70 TRP NE1 N 118.927 0.2 1
847 346 71 ASP H H 6.956 0.002 1
848 346 71 ASP HA H 4.707 0.014 1
849 346 71 ASP HB2 H 2.766 0.007 1
850 346 71 ASP HB3 H 2.766 0.007 1
851 346 71 ASP C C 178.597 0.038 1
852 346 71 ASP CA C 57.82 0.096 1
853 346 71 ASP CB C 41.427 0.117 1
854 346 71 ASP N N 119.598 0.072 1
855 347 72 ILE H H 7.97 0.003 1
856 347 72 ILE HA H 3.856 0.007 1
857 347 72 ILE HB H 1.57 0.004 1
858 347 72 ILE HG12 H 1.195 0.005 2
859 347 72 ILE HG13 H 1.747 0.006 2
860 347 72 ILE HG2 H 0.921 0.005 1
861 347 72 ILE HD1 H 0.831 0.01 1
862 347 72 ILE C C 178.548 0.001 1
863 347 72 ILE CA C 63.741 0.08 1
864 347 72 ILE CB C 40.056 0.122 1
865 347 72 ILE CG1 C 29.268 0.124 1
866 347 72 ILE CG2 C 18.329 0.049 1
867 347 72 ILE CD1 C 14.575 0.099 1
868 347 72 ILE N N 114.991 0.031 1
869 348 73 GLY H H 7.999 0.003 1
870 348 73 GLY HA2 H 3.618 0.009 2
871 348 73 GLY HA3 H 3.808 0.007 2
872 348 73 GLY C C 173.312 0.2 1
873 348 73 GLY CA C 46.566 0.116 1
874 348 73 GLY N N 104.741 0.048 1
875 349 74 VAL H H 8.034 0.003 1
876 349 74 VAL HA H 3.728 0.009 1
877 349 74 VAL HB H 2.206 0.01 1
878 349 74 VAL HG1 H 0.98 0.005 1
879 349 74 VAL HG2 H 0.912 0.008 1
880 349 74 VAL C C 175.091 0.001 1
881 349 74 VAL CA C 63.805 0.11 1
882 349 74 VAL CB C 32.011 0.124 1
883 349 74 VAL CG1 C 22.066 0.083 1
884 349 74 VAL CG2 C 24.527 0.069 1
885 349 74 VAL N N 117.381 0.024 1
886 350 75 ALA H H 6.44 0.003 1
887 350 75 ALA HA H 3.636 0.008 1
888 350 75 ALA HB H 1.436 0.005 1
889 350 75 ALA C C 178.334 0.004 1
890 350 75 ALA CA C 54.061 0.075 1
891 350 75 ALA CB C 17.517 0.057 1
892 350 75 ALA N N 120.08 0.022 1
893 351 76 GLY H H 8.875 0.002 1
894 351 76 GLY HA2 H 3.517 0.008 2
895 351 76 GLY HA3 H 4.741 0.011 2
896 351 76 GLY C C 174.846 0.2 1
897 351 76 GLY CA C 45.018 0.115 1
898 351 76 GLY N N 110.844 0.039 1
899 352 77 MET H H 7.841 0.006 1
900 352 77 MET HA H 4.02 0.007 1
901 352 77 MET HB2 H 1.946 0.007 2
902 352 77 MET HB3 H 2.075 0.006 2
903 352 77 MET HG2 H 2.131 0.017 2
904 352 77 MET HG3 H 2.885 0.012 2
905 352 77 MET HE H 1.989 0.002 1
906 352 77 MET C C 172.564 0.007 1
907 352 77 MET CA C 58.24 0.07 1
908 352 77 MET CB C 35.844 0.08 1
909 352 77 MET CG C 33.219 0.095 1
910 352 77 MET CE C 18.503 0.027 1
911 352 77 MET N N 119.005 0.059 1
912 353 78 ALA H H 8.287 0.004 1
913 353 78 ALA HA H 4.916 0.009 1
914 353 78 ALA HB H 0.859 0.008 1
915 353 78 ALA C C 177.05 0.024 1
916 353 78 ALA CA C 49.441 0.095 1
917 353 78 ALA CB C 22.491 0.092 1
918 353 78 ALA N N 122.794 0.045 1
919 354 79 VAL H H 8.974 0.002 1
920 354 79 VAL HA H 3.382 0.011 1
921 354 79 VAL HB H 1.996 0.01 1
922 354 79 VAL HG1 H 0.89 0.006 1
923 354 79 VAL HG2 H 0.967 0.01 1
924 354 79 VAL C C 176.822 0.001 1
925 354 79 VAL CA C 66.609 0.053 1
926 354 79 VAL CB C 30.955 0.096 1
927 354 79 VAL CG1 C 21.991 0.267 1
928 354 79 VAL CG2 C 24.005 0.047 1
929 354 79 VAL N N 122.557 0.029 1
930 355 80 GLY H H 8.906 0.002 1
931 355 80 GLY HA2 H 3.628 0.006 2
932 355 80 GLY HA3 H 4.517 0.01 2
933 355 80 GLY C C 174.992 0.2 1
934 355 80 GLY CA C 44.501 0.062 1
935 355 80 GLY N N 116.17 0.026 1
936 356 81 GLY H H 9.063 0.002 1
937 356 81 GLY HA2 H 3.615 0.014 2
938 356 81 GLY HA3 H 3.893 0.004 2
939 356 81 GLY C C 172.065 0.2 1
940 356 81 GLY CA C 45.755 0.077 1
941 356 81 GLY N N 109.411 0.036 1
942 357 82 GLU H H 8.751 0.002 1
943 357 82 GLU HA H 5.531 0.008 1
944 357 82 GLU HB2 H 2.175 0.012 1
945 357 82 GLU HB3 H 2.175 0.012 1
946 357 82 GLU HG2 H 2.064 0.005 2
947 357 82 GLU HG3 H 2.226 0.007 2
948 357 82 GLU C C 174.864 0.001 1
949 357 82 GLU CA C 55.279 0.094 1
950 357 82 GLU CB C 32.646 0.139 1
951 357 82 GLU CG C 36.546 0.081 1
952 357 82 GLU N N 120.267 0.025 1
953 358 83 ARG H H 8.986 0.002 1
954 358 83 ARG HA H 5.415 0.01 1
955 358 83 ARG HB2 H 1.85 0.007 2
956 358 83 ARG HB3 H 2.142 0.014 2
957 358 83 ARG HG2 H 1.459 0.006 2
958 358 83 ARG HG3 H 1.542 0.008 2
959 358 83 ARG HD2 H 3.213 0.009 1
960 358 83 ARG HD3 H 3.213 0.009 1
961 358 83 ARG HE H 8.597 0.007 1
962 358 83 ARG C C 173.351 0.2 1
963 358 83 ARG CA C 54.565 0.065 1
964 358 83 ARG CB C 37.308 0.124 1
965 358 83 ARG CG C 27.21 0.138 1
966 358 83 ARG CD C 43.746 0.147 1
967 358 83 ARG N N 126.916 0.074 1
968 358 83 ARG NE N 85.866 0.032 1
969 359 84 ARG H H 9.075 0.003 1
970 359 84 ARG HA H 5.668 0.01 1
971 359 84 ARG HB2 H 1.829 0.011 2
972 359 84 ARG HB3 H 1.928 0.013 2
973 359 84 ARG HG2 H 1.482 0.01 2
974 359 84 ARG HG3 H 1.517 0.008 2
975 359 84 ARG HD2 H 3.077 0.014 1
976 359 84 ARG HD3 H 3.077 0.014 1
977 359 84 ARG HE H 8.643 0.007 1
978 359 84 ARG C C 175.454 0.003 1
979 359 84 ARG CA C 54.58 0.089 1
980 359 84 ARG CB C 32.628 0.12 1
981 359 84 ARG CG C 27.331 0.16 1
982 359 84 ARG CD C 43.419 0.122 1
983 359 84 ARG N N 128.252 0.056 1
984 359 84 ARG NE N 85.38 0.08 1
985 360 85 ILE H H 9.733 0.003 1
986 360 85 ILE HA H 4.994 0.008 1
987 360 85 ILE HB H 1.773 0.009 1
988 360 85 ILE HG12 H 0.77 0.005 2
989 360 85 ILE HG13 H 1.661 0.007 2
990 360 85 ILE HG2 H 0.865 0.012 1
991 360 85 ILE HD1 H 0.594 0.008 1
992 360 85 ILE C C 174.75 0.2 1
993 360 85 ILE CA C 60.513 0.103 1
994 360 85 ILE CB C 41.954 0.134 1
995 360 85 ILE CG1 C 27.438 0.127 1
996 360 85 ILE CG2 C 18.707 0.135 1
997 360 85 ILE CD1 C 15.355 0.123 1
998 360 85 ILE N N 127.418 0.086 1
999 361 86 VAL H H 9.459 0.002 1
1000 361 86 VAL HA H 4.792 0.009 1
1001 361 86 VAL HB H 2.078 0.015 1
1002 361 86 VAL HG1 H 0.792 0.004 1
1003 361 86 VAL HG2 H 0.956 0.006 1
1004 361 86 VAL C C 176.019 0.2 1
1005 361 86 VAL CA C 62.659 0.1 1
1006 361 86 VAL CB C 32.923 0.124 1
1007 361 86 VAL CG1 C 20.696 0.227 1
1008 361 86 VAL CG2 C 20.696 0.227 1
1009 361 86 VAL N N 129.149 0.054 1
1010 362 87 ILE H H 9.714 0.005 1
1011 362 87 ILE HA H 4.541 0.008 1
1012 362 87 ILE HB H 1.939 0.007 1
1013 362 87 ILE HG12 H 0.706 0.011 1
1014 362 87 ILE HG13 H 1.878 0.007 1
1015 362 87 ILE HG2 H 0.957 0.012 1
1016 362 87 ILE HD1 H 0.826 0.008 1
1017 362 87 ILE CA C 58.983 0.101 1
1018 362 87 ILE CB C 41.496 0.083 1
1019 362 87 ILE CG1 C 28.793 0.156 1
1020 362 87 ILE CG2 C 20.366 0.116 1
1021 362 87 ILE CD1 C 15.585 0.069 1
1022 362 87 ILE N N 127.257 0.094 1
1023 363 88 PRO HA H 4.462 0.007 1
1024 363 88 PRO HB2 H 2.002 0.009 2
1025 363 88 PRO HB3 H 2.56 0.01 2
1026 363 88 PRO HG2 H 1.944 0.004 2
1027 363 88 PRO HG3 H 2.27 0.007 2
1028 363 88 PRO HD2 H 3.347 0.013 2
1029 363 88 PRO HD3 H 4.004 0.011 2
1030 363 88 PRO C C 176.553 0.003 1
1031 363 88 PRO CA C 62.707 0.122 1
1032 363 88 PRO CB C 34.018 0.119 1
1033 363 88 PRO CG C 28.198 0.125 1
1034 363 88 PRO CD C 52.81 0.194 1
1035 364 89 ALA H H 8.971 0.002 1
1036 364 89 ALA HA H 4.309 0.009 1
1037 364 89 ALA HB H 1.232 0.014 1
1038 364 89 ALA C C 177.399 0.2 1
1039 364 89 ALA CA C 56.606 0.082 1
1040 364 89 ALA CB C 16.272 0.069 1
1041 364 89 ALA N N 123.982 0.046 1
1042 365 90 PRO HA H 4.305 0.007 1
1043 365 90 PRO HB2 H 1.703 0.006 2
1044 365 90 PRO HB3 H 2.364 0.01 2
1045 365 90 PRO HG2 H 1.931 0.004 2
1046 365 90 PRO HG3 H 2.112 0.011 2
1047 365 90 PRO HD2 H 3.477 0.005 2
1048 365 90 PRO HD3 H 3.875 0.006 2
1049 365 90 PRO C C 177.292 0.001 1
1050 365 90 PRO CA C 65.856 0.091 1
1051 365 90 PRO CB C 31.137 0.124 1
1052 365 90 PRO CG C 28.442 0.161 1
1053 365 90 PRO CD C 50.789 0.119 1
1054 366 91 TYR H H 8.106 0.003 1
1055 366 91 TYR HA H 4.278 0.013 1
1056 366 91 TYR HB2 H 2.615 0.011 2
1057 366 91 TYR HB3 H 2.953 0.006 2
1058 366 91 TYR HD1 H 6.837 0.007 1
1059 366 91 TYR HD2 H 6.837 0.007 1
1060 366 91 TYR HE1 H 6.767 0.005 1
1061 366 91 TYR HE2 H 6.767 0.005 1
1062 366 91 TYR C C 172.246 0.001 1
1063 366 91 TYR CA C 58.456 0.079 1
1064 366 91 TYR CB C 39.437 0.08 1
1065 366 91 TYR CD1 C 132.356 0.025 1
1066 366 91 TYR CD2 C 132.356 0.025 1
1067 366 91 TYR CE1 C 118.416 0.027 1
1068 366 91 TYR CE2 C 118.416 0.027 1
1069 366 91 TYR N N 115.378 0.052 1
1070 367 92 ALA H H 8.14 0.003 1
1071 367 92 ALA HA H 4.349 0.01 1
1072 367 92 ALA HB H 1.282 0.008 1
1073 367 92 ALA C C 175.942 0.003 1
1074 367 92 ALA CA C 51.134 0.1 1
1075 367 92 ALA CB C 18.731 0.1 1
1076 367 92 ALA N N 126.578 0.05 1
1077 368 93 TYR H H 9.38 0.002 1
1078 368 93 TYR HA H 4.557 0.008 1
1079 368 93 TYR HB2 H 2.751 0.008 2
1080 368 93 TYR HB3 H 3.221 0.01 2
1081 368 93 TYR HD1 H 7.011 0.004 1
1082 368 93 TYR HD2 H 7.011 0.004 1
1083 368 93 TYR HE1 H 6.487 0.003 1
1084 368 93 TYR HE2 H 6.487 0.003 1
1085 368 93 TYR C C 176.472 0.005 1
1086 368 93 TYR CA C 58.861 0.09 1
1087 368 93 TYR CB C 38.134 0.103 1
1088 368 93 TYR CD1 C 133.049 0.004 1
1089 368 93 TYR CD2 C 133.049 0.004 1
1090 368 93 TYR CE1 C 117.843 0.03 1
1091 368 93 TYR CE2 C 117.843 0.03 1
1092 368 93 TYR N N 122.62 0.038 1
1093 369 94 GLY H H 8.316 0.003 1
1094 369 94 GLY HA2 H 3.419 0.009 2
1095 369 94 GLY HA3 H 3.853 0.008 2
1096 369 94 GLY C C 175.361 0.2 1
1097 369 94 GLY CA C 47.045 0.04 1
1098 369 94 GLY N N 109.409 0.035 1
1099 370 95 LYS H H 8.814 0.002 1
1100 370 95 LYS HA H 4.128 0.01 1
1101 370 95 LYS HB2 H 1.803 0.005 2
1102 370 95 LYS HB3 H 1.951 0.006 2
1103 370 95 LYS HG2 H 1.416 0.008 2
1104 370 95 LYS HG3 H 1.569 0.003 2
1105 370 95 LYS HD2 H 1.668 0.008 2
1106 370 95 LYS HD3 H 1.738 0.009 2
1107 370 95 LYS HE2 H 2.994 0.005 1
1108 370 95 LYS HE3 H 2.994 0.005 1
1109 370 95 LYS C C 175.436 0.005 1
1110 370 95 LYS CA C 57.002 0.115 1
1111 370 95 LYS CB C 32.898 0.109 1
1112 370 95 LYS CG C 24.905 0.051 1
1113 370 95 LYS CD C 29.376 0.072 1
1114 370 95 LYS CE C 42.17 0.086 1
1115 370 95 LYS N N 124.671 0.062 1
1116 371 96 GLN H H 7.609 0.002 1
1117 371 96 GLN HA H 4.163 0.006 1
1118 371 96 GLN HB2 H 2.078 0.01 1
1119 371 96 GLN HB3 H 2.078 0.01 1
1120 371 96 GLN HG2 H 2.295 0.005 2
1121 371 96 GLN HG3 H 2.39 0.01 2
1122 371 96 GLN HE21 H 7.635 0.003 2
1123 371 96 GLN HE22 H 6.935 0.002 2
1124 371 96 GLN C C 173.644 0.003 1
1125 371 96 GLN CA C 55.925 0.076 1
1126 371 96 GLN CB C 30.176 0.133 1
1127 371 96 GLN CG C 34.111 0.089 1
1128 371 96 GLN CD C 180.487 0.005 1
1129 371 96 GLN N N 119.511 0.036 1
1130 371 96 GLN NE2 N 111.576 0.221 1
1131 372 97 ALA H H 8.244 0.002 1
1132 372 97 ALA HA H 4.52 0.014 1
1133 372 97 ALA HB H 1.313 0.007 1
1134 372 97 ALA C C 176.512 0.017 1
1135 372 97 ALA CA C 51.229 0.093 1
1136 372 97 ALA CB C 20.266 0.097 1
1137 372 97 ALA N N 125.574 0.057 1
1138 373 98 LEU H H 8.381 0.003 1
1139 373 98 LEU HA H 4.676 0.011 1
1140 373 98 LEU HB2 H 1.055 0.01 2
1141 373 98 LEU HB3 H 1.366 0.005 2
1142 373 98 LEU HG H 1.237 0.005 1
1143 373 98 LEU HD1 H 0.184 0.003 1
1144 373 98 LEU HD2 H 0.524 0.004 1
1145 373 98 LEU CA C 53.1 0.142 1
1146 373 98 LEU CB C 43.61 0.106 1
1147 373 98 LEU CG C 28.371 0.068 1
1148 373 98 LEU CD1 C 24.958 0.043 1
1149 373 98 LEU CD2 C 23.904 0.043 1
1150 373 98 LEU N N 125.443 0.055 1
1151 374 99 PRO HA H 4.208 0.007 1
1152 374 99 PRO HB2 H 1.897 0.006 2
1153 374 99 PRO HB3 H 2.24 0.004 2
1154 374 99 PRO HG2 H 2.123 0.007 1
1155 374 99 PRO HG3 H 2.123 0.007 1
1156 374 99 PRO HD2 H 3.449 0.002 2
1157 374 99 PRO HD3 H 3.676 0.004 2
1158 374 99 PRO C C 177.822 0.007 1
1159 374 99 PRO CA C 65.04 0.146 1
1160 374 99 PRO CB C 30.915 0.054 1
1161 374 99 PRO CG C 28.523 0.033 1
1162 374 99 PRO CD C 50.175 0.17 1
1163 375 100 GLY H H 8.61 0.004 1
1164 375 100 GLY HA2 H 3.716 0.008 2
1165 375 100 GLY HA3 H 4.199 0.009 2
1166 375 100 GLY C C 173.164 0.2 1
1167 375 100 GLY CA C 45.696 0.061 1
1168 375 100 GLY N N 113.36 0.024 1
1169 376 101 ILE H H 7.923 0.003 1
1170 376 101 ILE HA H 4.342 0.007 1
1171 376 101 ILE HB H 1.413 0.01 1
1172 376 101 ILE HG12 H 0.018 0.006 2
1173 376 101 ILE HG13 H 1.149 0.011 2
1174 376 101 ILE HG2 H 0.592 0.009 1
1175 376 101 ILE HD1 H 0.237 0.009 1
1176 376 101 ILE CA C 58.968 0.098 1
1177 376 101 ILE CB C 40.619 0.112 1
1178 376 101 ILE CG1 C 26.044 0.055 1
1179 376 101 ILE CG2 C 18.425 0.06 1
1180 376 101 ILE CD1 C 14.523 0.066 1
1181 376 101 ILE N N 118.194 0.089 1
1182 377 102 PRO HA H 4.365 0.013 1
1183 377 102 PRO HB2 H 1.622 0.004 2
1184 377 102 PRO HB3 H 2.332 0.004 2
1185 377 102 PRO HG2 H 1.866 0.012 2
1186 377 102 PRO HG3 H 1.976 0.005 2
1187 377 102 PRO HD2 H 3.564 0.005 1
1188 377 102 PRO HD3 H 3.564 0.005 1
1189 377 102 PRO C C 176.389 0.002 1
1190 377 102 PRO CA C 62.14 0.06 1
1191 377 102 PRO CB C 32.256 0.023 1
1192 377 102 PRO CG C 27.43 0.156 1
1193 377 102 PRO CD C 51.138 0.085 1
1194 378 103 ALA H H 8.692 0.003 1
1195 378 103 ALA HA H 3.852 0.012 1
1196 378 103 ALA HB H 1.209 0.01 1
1197 378 103 ALA C C 177.098 0.001 1
1198 378 103 ALA CA C 53.215 0.071 1
1199 378 103 ALA CB C 19.643 0.076 1
1200 378 103 ALA N N 123.814 0.048 1
1201 379 104 ASN H H 8.163 0.003 1
1202 379 104 ASN HA H 3.983 0.009 1
1203 379 104 ASN HB2 H 2.801 0.01 2
1204 379 104 ASN HB3 H 2.911 0.007 2
1205 379 104 ASN HD21 H 6.862 0.003 2
1206 379 104 ASN HD22 H 7.526 0.001 2
1207 379 104 ASN C C 175.531 0.2 1
1208 379 104 ASN CA C 54.174 0.089 1
1209 379 104 ASN CB C 37.334 0.105 1
1210 379 104 ASN CG C 177.86 0.012 1
1211 379 104 ASN N N 114.069 0.176 1
1212 379 104 ASN ND2 N 114.859 0.074 1
1213 380 105 SER H H 8.45 0.003 1
1214 380 105 SER HA H 4.39 0.016 1
1215 380 105 SER HB2 H 3.502 0.024 2
1216 380 105 SER HB3 H 3.607 0.015 2
1217 380 105 SER C C 172.962 0.2 1
1218 380 105 SER CA C 61.434 0.094 1
1219 380 105 SER CB C 64.187 0.071 1
1220 380 105 SER N N 116.797 0.042 1
1221 381 106 GLU H H 8.375 0.004 1
1222 381 106 GLU HA H 4.645 0.012 1
1223 381 106 GLU HB2 H 1.857 0.011 2
1224 381 106 GLU HB3 H 2.176 0.012 2
1225 381 106 GLU HG2 H 1.831 0.008 2
1226 381 106 GLU HG3 H 1.941 0.005 2
1227 381 106 GLU C C 177.07 0.009 1
1228 381 106 GLU CA C 55.943 0.047 1
1229 381 106 GLU CB C 32.007 0.063 1
1230 381 106 GLU CG C 37.515 0.087 1
1231 381 106 GLU N N 126.133 0.066 1
1232 382 107 LEU H H 8.746 0.003 1
1233 382 107 LEU HA H 5.062 0.01 1
1234 382 107 LEU HB2 H 1.339 0.011 2
1235 382 107 LEU HB3 H 1.771 0.008 2
1236 382 107 LEU HG H 1.722 0.018 1
1237 382 107 LEU HD1 H 1.029 0.008 1
1238 382 107 LEU HD2 H 0.476 0.007 1
1239 382 107 LEU C C 175.286 0.006 1
1240 382 107 LEU CA C 53.819 0.089 1
1241 382 107 LEU CB C 45.277 0.069 1
1242 382 107 LEU CG C 27.072 0.093 1
1243 382 107 LEU CD1 C 27.052 0.038 1
1244 382 107 LEU CD2 C 22.59 0.046 1
1245 382 107 LEU N N 128.421 0.047 1
1246 383 108 THR H H 8.981 0.002 1
1247 383 108 THR HA H 5.31 0.01 1
1248 383 108 THR HB H 3.859 0.006 1
1249 383 108 THR HG2 H 1.018 0.011 1
1250 383 108 THR C C 173.532 0.009 1
1251 383 108 THR CA C 62.243 0.061 1
1252 383 108 THR CB C 70.661 0.105 1
1253 383 108 THR CG2 C 20.589 0.088 1
1254 383 108 THR N N 118.544 0.041 1
1255 384 109 PHE H H 9.803 0.003 1
1256 384 109 PHE HA H 5.77 0.01 1
1257 384 109 PHE HB2 H 2.682 0.009 1
1258 384 109 PHE HB3 H 2.682 0.009 1
1259 384 109 PHE HD1 H 6.972 0.009 1
1260 384 109 PHE HD2 H 6.972 0.009 1
1261 384 109 PHE HE1 H 7.11 0.004 1
1262 384 109 PHE HE2 H 7.11 0.004 1
1263 384 109 PHE HZ H 7.452 0.006 1
1264 384 109 PHE C C 174.541 0.2 1
1265 384 109 PHE CA C 55.926 0.068 1
1266 384 109 PHE CB C 43.466 0.132 1
1267 384 109 PHE CD1 C 131.255 0.068 1
1268 384 109 PHE CD2 C 131.255 0.068 1
1269 384 109 PHE CE1 C 131.331 0.2 1
1270 384 109 PHE CE2 C 131.331 0.2 1
1271 384 109 PHE CZ C 130.773 0.035 1
1272 384 109 PHE N N 123.435 0.069 1
1273 385 110 ASP H H 8.773 0.003 1
1274 385 110 ASP HA H 5.519 0.013 1
1275 385 110 ASP HB2 H 2.541 0.007 2
1276 385 110 ASP HB3 H 2.69 0.005 2
1277 385 110 ASP C C 176.684 0.001 1
1278 385 110 ASP CA C 54.611 0.072 1
1279 385 110 ASP CB C 42.293 0.117 1
1280 385 110 ASP N N 123.423 0.041 1
1281 386 111 VAL H H 9.422 0.005 1
1282 386 111 VAL HA H 5.317 0.012 1
1283 386 111 VAL HB H 2.211 0.01 1
1284 386 111 VAL HG1 H 0.785 0.009 1
1285 386 111 VAL HG2 H 0.854 0.013 1
1286 386 111 VAL C C 174.615 0.002 1
1287 386 111 VAL CA C 59.913 0.096 1
1288 386 111 VAL CB C 35.108 0.12 1
1289 386 111 VAL CG1 C 22.496 0.078 1
1290 386 111 VAL CG2 C 20.947 0.076 1
1291 386 111 VAL N N 120.721 0.055 1
1292 387 112 LYS H H 8.932 0.003 1
1293 387 112 LYS HA H 5.545 0.013 1
1294 387 112 LYS HB2 H 1.675 0.007 2
1295 387 112 LYS HB3 H 1.756 0.005 2
1296 387 112 LYS HG2 H 1.057 0.009 2
1297 387 112 LYS HG3 H 1.384 0.006 2
1298 387 112 LYS HD2 H 1.559 0.012 1
1299 387 112 LYS HD3 H 1.559 0.012 1
1300 387 112 LYS HE2 H 2.856 0.006 1
1301 387 112 LYS HE3 H 2.856 0.006 1
1302 387 112 LYS C C 175.519 0.008 1
1303 387 112 LYS CA C 54.558 0.086 1
1304 387 112 LYS CB C 36.359 0.136 1
1305 387 112 LYS CG C 25.203 0.113 1
1306 387 112 LYS CD C 29.916 0.072 1
1307 387 112 LYS CE C 42.03 0.107 1
1308 387 112 LYS N N 124.794 0.047 1
1309 388 113 LEU H H 8.228 0.004 1
1310 388 113 LEU HA H 4.795 0.014 1
1311 388 113 LEU HB2 H 1.328 0.006 2
1312 388 113 LEU HB3 H 2.133 0.006 2
1313 388 113 LEU HG H 1.538 0.005 1
1314 388 113 LEU HD1 H 0.948 0.009 1
1315 388 113 LEU HD2 H 0.671 0.009 1
1316 388 113 LEU C C 176.266 0.006 1
1317 388 113 LEU CA C 55.489 0.077 1
1318 388 113 LEU CB C 42.117 0.079 1
1319 388 113 LEU CG C 28.584 0.119 1
1320 388 113 LEU CD1 C 26.502 0.073 1
1321 388 113 LEU CD2 C 26.327 0.072 1
1322 388 113 LEU N N 127.963 0.076 1
1323 389 114 VAL H H 9.045 0.003 1
1324 389 114 VAL HA H 4.632 0.009 1
1325 389 114 VAL HB H 2.255 0.014 1
1326 389 114 VAL HG1 H 0.94 0.011 1
1327 389 114 VAL HG2 H 0.748 0.009 1
1328 389 114 VAL C C 175.768 0.008 1
1329 389 114 VAL CA C 61.998 0.135 1
1330 389 114 VAL CB C 33.245 0.141 1
1331 389 114 VAL CG1 C 22.206 0.105 1
1332 389 114 VAL CG2 C 19.343 0.161 1
1333 389 114 VAL N N 121.658 0.041 1
1334 390 115 SER H H 8.098 0.004 1
1335 390 115 SER HA H 4.669 0.012 1
1336 390 115 SER HB2 H 3.722 0.007 2
1337 390 115 SER HB3 H 3.826 0.005 2
1338 390 115 SER C C 171.987 0.2 1
1339 390 115 SER CA C 57.819 0.074 1
1340 390 115 SER CB C 65.438 0.07 1
1341 390 115 SER N N 114.843 0.069 1
1342 391 116 MET H H 8.583 0.003 1
1343 391 116 MET HA H 5.037 0.01 1
1344 391 116 MET HB2 H 1.781 0.012 2
1345 391 116 MET HB3 H 1.94 0.008 2
1346 391 116 MET HG2 H 2.183 0.006 2
1347 391 116 MET HG3 H 2.284 0.005 2
1348 391 116 MET HE H 1.889 0.002 1
1349 391 116 MET C C 173.866 0.001 1
1350 391 116 MET CA C 55.986 0.091 1
1351 391 116 MET CB C 37.255 0.169 1
1352 391 116 MET CG C 31.638 0.119 1
1353 391 116 MET CE C 16.844 0.14 1
1354 391 116 MET N N 119.681 0.048 1
1355 392 117 LYS H H 8.482 0.003 1
1356 392 117 LYS HA H 4.232 0.008 1
1357 392 117 LYS HB2 H 1.664 0.006 2
1358 392 117 LYS HB3 H 1.817 0.009 2
1359 392 117 LYS HG2 H 1.386 0.004 1
1360 392 117 LYS HG3 H 1.386 0.004 1
1361 392 117 LYS HD2 H 1.667 0.007 1
1362 392 117 LYS HD3 H 1.667 0.007 1
1363 392 117 LYS HE2 H 2.947 0.006 1
1364 392 117 LYS HE3 H 2.947 0.006 1
1365 392 117 LYS C C 180.418 0.2 1
1366 392 117 LYS CA C 58.131 0.097 1
1367 392 117 LYS CB C 35.523 0.154 1
1368 392 117 LYS CG C 25.289 0.123 1
1369 392 117 LYS CD C 29.169 0.142 1
1370 392 117 LYS CE C 42.131 0.104 1
1371 392 117 LYS N N 128.713 0.052 1
stop_
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