data_17776
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the chimeric Af1503 HAMP- EnvZ DHp homodimer; A219F variant
;
_BMRB_accession_number 17776
_BMRB_flat_file_name bmr17776.str
_Entry_type original
_Submission_date 2011-07-10
_Accession_date 2011-07-10
_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 Coles Murray . .
2 Ferris Hedda U. .
3 Hulko Michael . .
4 Martin Joerg . .
5 Lupas Andrei N. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 513
"13C chemical shifts" 387
"15N chemical shifts" 101
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-02-15 update BMRB 'update entry citation'
2011-08-16 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
17775 'Af1503 HAMP- EnvZ DHp'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Mechanism of regulation of receptor histidine kinases.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 22244755
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Ferris Hedda U. .
2 Dunin-Horkawicz Stanislaw . .
3 Hornig Nora . .
4 Hulko Michael . .
5 Martin Jorg . .
6 Schultz Joachim E. .
7 Zeth Kornelius . .
8 Lupas Andrei N. .
9 Coles Murray . .
stop_
_Journal_abbreviation Structure
_Journal_name_full 'Structure (London, England : 1993)'
_Journal_volume 20
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 56
_Page_last 66
_Year 2012
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'chimeric Af1503 HAMP- EnvZ DHp homodimer; A219F variant'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'HAMP-DHpF, chain 1' $HAMP-DHpF
'HAMP-DHpF, chain 2' $HAMP-DHpF
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_HAMP-DHpF
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common HAMP-DHpF
_Molecular_mass 12872.684
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 112
_Mol_residue_sequence
;
MSTITRPIIELSNTFDKIAE
GNLEAEVPHQNRADEIGILA
KSIERLRRSLKQLADDRTLL
MAGVSHDLRTPLTRIRLATE
MMSEQDGYLAESINKDIEEC
NAIIEQFIDYLR
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 277 MET 2 278 SER 3 279 THR 4 280 ILE 5 281 THR
6 282 ARG 7 283 PRO 8 284 ILE 9 285 ILE 10 286 GLU
11 287 LEU 12 288 SER 13 289 ASN 14 290 THR 15 291 PHE
16 292 ASP 17 293 LYS 18 294 ILE 19 295 ALA 20 296 GLU
21 297 GLY 22 298 ASN 23 299 LEU 24 300 GLU 25 301 ALA
26 302 GLU 27 303 VAL 28 304 PRO 29 305 HIS 30 306 GLN
31 307 ASN 32 308 ARG 33 309 ALA 34 310 ASP 35 311 GLU
36 312 ILE 37 313 GLY 38 314 ILE 39 315 LEU 40 316 ALA
41 317 LYS 42 318 SER 43 319 ILE 44 320 GLU 45 321 ARG
46 322 LEU 47 323 ARG 48 324 ARG 49 325 SER 50 326 LEU
51 327 LYS 52 328 GLN 53 329 LEU 54 330 ALA 55 331 ASP
56 332 ASP 57 333 ARG 58 334 THR 59 335 LEU 60 336 LEU
61 337 MET 62 338 ALA 63 339 GLY 64 340 VAL 65 341 SER
66 342 HIS 67 343 ASP 68 344 LEU 69 345 ARG 70 346 THR
71 347 PRO 72 348 LEU 73 349 THR 74 350 ARG 75 351 ILE
76 352 ARG 77 353 LEU 78 354 ALA 79 355 THR 80 356 GLU
81 357 MET 82 358 MET 83 359 SER 84 360 GLU 85 361 GLN
86 362 ASP 87 363 GLY 88 364 TYR 89 365 LEU 90 366 ALA
91 367 GLU 92 368 SER 93 369 ILE 94 370 ASN 95 371 LYS
96 372 ASP 97 373 ILE 98 374 GLU 99 375 GLU 100 376 CYS
101 377 ASN 102 378 ALA 103 379 ILE 104 380 ILE 105 381 GLU
106 382 GLN 107 383 PHE 108 384 ILE 109 385 ASP 110 386 TYR
111 387 LEU 112 388 ARG
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-08-26
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 17775 HAMP-DHp 100.00 112 99.11 99.11 1.89e-72
PDB 2LFR "Solution Structure Of The Chimeric Af1503 Hamp- Envz Dhp Homodimer" 99.11 114 99.10 99.10 1.00e-71
PDB 2LFS "Solution Structure Of The Chimeric Af1503 Hamp- Envz Dhp Homodimer; A219f Variant" 99.11 114 100.00 100.00 4.23e-73
PDB 3ZCC "High Resolution Structure Of The Asymmetric R333g Hamp-Dhp Mutant" 99.11 114 98.20 98.20 1.33e-70
PDB 3ZRV "The High Resolution Structure Of A Dimeric Hamp-Dhp Fusion Displays Asymmetry - A291f Mutant" 100.00 116 100.00 100.00 1.07e-73
PDB 3ZRW "The Structure Of The Dimeric Hamp-Dhp Fusion A291v Mutant" 100.00 116 99.11 99.11 9.77e-73
PDB 3ZRX "The High Resolution Structure Of A Dimeric Hamp-Dhp Fusion Displays Strong Asymmetry" 100.00 115 100.00 100.00 9.07e-74
PDB 4CTI "Escherichia Coli Envz Histidine Kinase Catalytic Part Fused To Archaeoglobus Fulgidus Af1503 Hamp Domain" 100.00 273 100.00 100.00 3.68e-72
GB ESL47213 "osmolarity sensor protein envZ, partial [Klebsiella pneumoniae BIDMC 25]" 50.00 218 98.21 98.21 1.54e-29
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$HAMP-DHpF . . . . . .
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
$HAMP-DHpF 'recombinant technology' . Escherichia coli BL21(DE3) pET30b
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_15N_labeled
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HAMP-DHpF 0.6 mM '[U-100% 15N]'
'phosphate buffer' 12 mM 'natural abundance'
'sodium chloride' 138 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_double_labeled
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$HAMP-DHpF 0.6 mM '[U-100% 13C; U-100% 15N]'
'phosphate buffer' 12 mM 'natural abundance'
'sodium chloride' 138 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
processing
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_X-PLOR_NIH
_Saveframe_category software
_Name X-PLOR_NIH
_Version 2.21
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'structure solution'
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AvanceIII
_Field_strength 800
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 900
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_HNCO_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $double_labeled
save_
save_3D_HNCA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $double_labeled
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $double_labeled
save_
save_3D_CCH-TOCSY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CCH-TOCSY'
_Sample_label $double_labeled
save_
save_3D_1H-15N_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $15N_labeled
save_
save_3D_NNH_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D NNH NOESY'
_Sample_label $15N_labeled
save_
save_3D_1H-13C_NOESY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $double_labeled
save_
save_3D_CNH_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CNH NOESY'
_Sample_label $double_labeled
save_
save_3D_CCH_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CCH NOESY'
_Sample_label $double_labeled
save_
save_2D_12C_filtered/13C_edited_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 12C filtered/13C edited NOESY'
_Sample_label $double_labeled
save_
save_2D_12C/14N_filtered_1H-1H_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 12C/14N filtered 1H-1H NOESY'
_Sample_label $15N_labeled
save_
save_2D_1H-15N_TROSY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N TROSY'
_Sample_label $15N_labeled
save_
save_2D_1H-15N_antiTROSY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N antiTROSY'
_Sample_label $15N_labeled
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 308 . K
pH 7.1 . pH
pressure 1 . atm
'ionic strength' 0.150 . M
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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS C 13 'methyl protons' ppm 2.60 internal indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0.00 internal indirect . . . 0.10132912
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
'3D HNCO'
'3D CBCA(CO)NH'
'3D CCH-TOCSY'
'2D 12C/14N filtered 1H-1H NOESY'
stop_
loop_
_Sample_label
$double_labeled
$15N_labeled
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'HAMP-DHpF, chain 1'
_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
1 281 5 THR HA H 4.37 0.02 1
2 281 5 THR HB H 4.30 0.02 1
3 281 5 THR HG2 H 1.26 0.02 1
4 281 5 THR CA C 62.69 0.05 1
5 281 5 THR CB C 69.73 0.05 1
6 281 5 THR CG2 C 21.82 0.05 1
7 283 7 PRO HA H 4.17 0.02 1
8 283 7 PRO HB2 H 1.33 0.02 2
9 283 7 PRO HB3 H 1.05 0.02 2
10 283 7 PRO HG2 H 1.65 0.02 2
11 283 7 PRO HG3 H 1.93 0.02 2
12 283 7 PRO HD2 H 3.58 0.02 1
13 283 7 PRO HD3 H 3.58 0.02 1
14 283 7 PRO CA C 66.08 0.05 1
15 283 7 PRO CB C 30.91 0.05 1
16 283 7 PRO CG C 27.73 0.05 1
17 283 7 PRO CD C 49.71 0.05 1
18 284 8 ILE H H 7.60 0.02 1
19 284 8 ILE HA H 3.57 0.02 1
20 284 8 ILE HB H 1.97 0.02 1
21 284 8 ILE HG12 H 0.99 0.02 2
22 284 8 ILE HG13 H 1.59 0.02 2
23 284 8 ILE HG2 H 0.78 0.02 1
24 284 8 ILE HD1 H 0.71 0.02 1
25 284 8 ILE CA C 64.83 0.05 1
26 284 8 ILE CB C 36.88 0.05 1
27 284 8 ILE CG1 C 29.39 0.05 1
28 284 8 ILE CG2 C 18.03 0.05 1
29 284 8 ILE CD1 C 12.70 0.05 1
30 284 8 ILE N N 115.30 0.05 1
31 286 10 GLU HB2 H 2.02 0.02 2
32 286 10 GLU HB3 H 2.29 0.02 2
33 286 10 GLU C C 180.81 0.05 1
34 286 10 GLU CA C 59.93 0.05 1
35 286 10 GLU CB C 29.55 0.05 1
36 286 10 GLU CG C 37.21 0.05 1
37 287 11 LEU H H 8.52 0.02 1
38 287 11 LEU HA H 4.11 0.02 1
39 287 11 LEU HB2 H 1.54 0.02 2
40 287 11 LEU HB3 H 1.97 0.02 2
41 287 11 LEU HD1 H 0.86 0.02 1
42 287 11 LEU HD2 H 0.91 0.02 1
43 287 11 LEU C C 178.41 0.05 1
44 287 11 LEU CA C 58.10 0.05 1
45 287 11 LEU CB C 41.37 0.05 1
46 287 11 LEU CG C 27.16 0.05 1
47 287 11 LEU CD1 C 25.91 0.05 1
48 287 11 LEU CD2 C 22.98 0.05 1
49 287 11 LEU N N 120.74 0.05 1
50 288 12 SER H H 8.51 0.02 1
51 288 12 SER HA H 4.10 0.02 1
52 288 12 SER HB2 H 3.68 0.02 2
53 288 12 SER HB3 H 4.09 0.02 2
54 288 12 SER C C 175.88 0.05 1
55 288 12 SER CA C 62.70 0.05 1
56 288 12 SER CB C 62.86 0.05 1
57 288 12 SER N N 118.11 0.05 1
58 289 13 ASN H H 8.43 0.02 1
59 289 13 ASN HA H 4.55 0.02 1
60 289 13 ASN HB2 H 3.02 0.02 1
61 289 13 ASN HB3 H 2.87 0.02 1
62 289 13 ASN HD21 H 6.87 0.02 1
63 289 13 ASN HD22 H 7.70 0.02 1
64 289 13 ASN C C 177.97 0.05 1
65 289 13 ASN CA C 56.08 0.05 1
66 289 13 ASN CB C 38.41 0.05 1
67 289 13 ASN N N 119.19 0.05 1
68 289 13 ASN ND2 N 111.47 0.05 1
69 290 14 THR H H 7.92 0.02 1
70 290 14 THR HA H 3.89 0.02 1
71 290 14 THR HB H 4.39 0.02 1
72 290 14 THR HG2 H 1.20 0.02 1
73 290 14 THR C C 175.80 0.05 1
74 290 14 THR CA C 67.86 0.05 1
75 290 14 THR CB C 68.14 0.05 1
76 290 14 THR CG2 C 21.94 0.05 1
77 290 14 THR N N 118.08 0.05 1
78 291 15 PHE H H 8.66 0.02 1
79 291 15 PHE HA H 4.01 0.02 1
80 291 15 PHE HB2 H 3.12 0.02 1
81 291 15 PHE HB3 H 3.25 0.02 1
82 291 15 PHE HD1 H 7.22 0.02 1
83 291 15 PHE HD2 H 7.22 0.02 1
84 291 15 PHE HE1 H 6.92 0.02 1
85 291 15 PHE HE2 H 6.92 0.02 1
86 291 15 PHE HZ H 6.65 0.02 1
87 291 15 PHE C C 176.82 0.05 1
88 291 15 PHE CA C 62.94 0.05 1
89 291 15 PHE CB C 38.69 0.05 1
90 291 15 PHE N N 122.12 0.05 1
91 292 16 ASP H H 8.24 0.02 1
92 292 16 ASP HA H 4.29 0.02 1
93 292 16 ASP HB2 H 2.58 0.02 2
94 292 16 ASP HB3 H 2.87 0.02 2
95 292 16 ASP C C 178.56 0.05 1
96 292 16 ASP CA C 57.72 0.05 1
97 292 16 ASP CB C 40.09 0.05 1
98 292 16 ASP N N 118.92 0.05 1
99 293 17 LYS H H 7.51 0.02 1
100 293 17 LYS HA H 4.08 0.02 1
101 293 17 LYS HB2 H 1.85 0.02 2
102 293 17 LYS HB3 H 2.11 0.02 2
103 293 17 LYS HG2 H 1.56 0.02 2
104 293 17 LYS HG3 H 1.76 0.02 2
105 293 17 LYS HD2 H 1.68 0.02 1
106 293 17 LYS HD3 H 1.68 0.02 1
107 293 17 LYS HE2 H 3.05 0.02 1
108 293 17 LYS HE3 H 3.05 0.02 1
109 293 17 LYS C C 179.61 0.05 1
110 293 17 LYS CA C 59.33 0.05 1
111 293 17 LYS CB C 32.27 0.05 1
112 293 17 LYS CG C 25.15 0.05 1
113 293 17 LYS CD C 29.57 0.05 1
114 293 17 LYS CE C 42.21 0.05 1
115 293 17 LYS N N 118.36 0.05 1
116 294 18 ILE H H 7.83 0.02 1
117 294 18 ILE HA H 3.61 0.02 1
118 294 18 ILE HB H 1.83 0.02 1
119 294 18 ILE HG12 H 0.98 0.02 2
120 294 18 ILE HG13 H 1.63 0.02 2
121 294 18 ILE HG2 H 0.71 0.02 1
122 294 18 ILE HD1 H 0.63 0.02 1
123 294 18 ILE C C 179.46 0.05 1
124 294 18 ILE CA C 65.02 0.05 1
125 294 18 ILE CB C 38.15 0.05 1
126 294 18 ILE CG1 C 29.56 0.05 1
127 294 18 ILE CG2 C 16.63 0.05 1
128 294 18 ILE CD1 C 14.00 0.05 1
129 294 18 ILE N N 122.11 0.05 1
130 295 19 ALA H H 8.85 0.02 1
131 295 19 ALA HA H 3.85 0.02 1
132 295 19 ALA HB H 1.30 0.02 1
133 295 19 ALA C C 178.98 0.05 1
134 295 19 ALA CA C 54.77 0.05 1
135 295 19 ALA CB C 17.81 0.05 1
136 295 19 ALA N N 123.76 0.05 1
137 296 20 GLU H H 7.48 0.02 1
138 296 20 GLU HA H 4.26 0.02 1
139 296 20 GLU HB2 H 2.08 0.02 2
140 296 20 GLU HB3 H 2.17 0.02 2
141 296 20 GLU HG2 H 2.27 0.02 2
142 296 20 GLU HG3 H 2.40 0.02 2
143 296 20 GLU C C 176.66 0.05 1
144 296 20 GLU CA C 56.29 0.05 1
145 296 20 GLU CB C 29.83 0.05 1
146 296 20 GLU CG C 36.56 0.05 1
147 296 20 GLU N N 115.64 0.05 1
148 297 21 GLY H H 7.83 0.02 1
149 297 21 GLY HA2 H 4.40 0.02 1
150 297 21 GLY HA3 H 3.60 0.02 1
151 297 21 GLY C C 173.99 0.05 1
152 297 21 GLY CA C 45.09 0.05 1
153 297 21 GLY N N 106.84 0.05 1
154 298 22 ASN H H 8.19 0.02 1
155 298 22 ASN HA H 4.89 0.02 1
156 298 22 ASN HB2 H 2.88 0.02 1
157 298 22 ASN HB3 H 2.62 0.02 1
158 298 22 ASN HD21 H 6.86 0.02 1
159 298 22 ASN HD22 H 7.38 0.02 1
160 298 22 ASN C C 174.46 0.05 1
161 298 22 ASN CA C 51.67 0.05 1
162 298 22 ASN CB C 36.83 0.05 1
163 298 22 ASN N N 119.86 0.05 1
164 298 22 ASN ND2 N 109.83 0.05 1
165 299 23 LEU H H 7.96 0.02 1
166 299 23 LEU HA H 4.12 0.02 1
167 299 23 LEU HB2 H 1.56 0.02 2
168 299 23 LEU HB3 H 1.76 0.02 2
169 299 23 LEU HG H 1.65 0.02 1
170 299 23 LEU HD1 H 0.86 0.02 1
171 299 23 LEU HD2 H 0.83 0.02 1
172 299 23 LEU C C 176.11 0.05 1
173 299 23 LEU CA C 55.14 0.05 1
174 299 23 LEU CB C 41.06 0.05 1
175 299 23 LEU CG C 26.96 0.05 1
176 299 23 LEU CD1 C 25.33 0.05 1
177 299 23 LEU CD2 C 23.15 0.05 1
178 299 23 LEU N N 120.36 0.05 1
179 300 24 GLU H H 7.82 0.02 1
180 300 24 GLU HA H 4.22 0.02 1
181 300 24 GLU HB2 H 1.79 0.02 2
182 300 24 GLU HB3 H 2.22 0.02 2
183 300 24 GLU HG2 H 2.15 0.02 2
184 300 24 GLU HG3 H 2.23 0.02 2
185 300 24 GLU C C 176.02 0.05 1
186 300 24 GLU CA C 55.32 0.05 1
187 300 24 GLU CB C 29.41 0.05 1
188 300 24 GLU CG C 36.26 0.05 1
189 300 24 GLU N N 115.54 0.05 1
190 301 25 ALA H H 6.79 0.02 1
191 301 25 ALA HA H 3.96 0.02 1
192 301 25 ALA HB H 1.19 0.02 1
193 301 25 ALA C C 175.35 0.05 1
194 301 25 ALA CA C 52.54 0.05 1
195 301 25 ALA CB C 18.86 0.05 1
196 301 25 ALA N N 123.50 0.05 1
197 302 26 GLU H H 7.93 0.02 1
198 302 26 GLU HA H 4.15 0.02 1
199 302 26 GLU HB2 H 1.81 0.02 1
200 302 26 GLU HB3 H 1.81 0.02 1
201 302 26 GLU HG2 H 2.01 0.02 2
202 302 26 GLU HG3 H 2.15 0.02 2
203 302 26 GLU C C 176.42 0.05 1
204 302 26 GLU CA C 55.56 0.05 1
205 302 26 GLU CB C 30.33 0.05 1
206 302 26 GLU CG C 36.42 0.05 1
207 302 26 GLU N N 120.33 0.05 1
208 303 27 VAL H H 8.80 0.02 1
209 303 27 VAL HA H 4.27 0.02 1
210 303 27 VAL HB H 2.07 0.02 1
211 303 27 VAL HG1 H 1.09 0.02 1
212 303 27 VAL HG2 H 0.86 0.02 1
213 303 27 VAL CA C 60.37 0.05 1
214 303 27 VAL CB C 32.21 0.05 1
215 303 27 VAL CG1 C 20.86 0.05 1
216 303 27 VAL CG2 C 21.96 0.05 1
217 303 27 VAL N N 128.34 0.05 1
218 304 28 PRO HA H 4.48 0.02 1
219 304 28 PRO HB2 H 1.95 0.02 1
220 304 28 PRO HB3 H 1.06 0.02 1
221 304 28 PRO HG2 H 1.56 0.02 2
222 304 28 PRO HG3 H 1.87 0.02 2
223 304 28 PRO HD2 H 3.92 0.02 2
224 304 28 PRO HD3 H 3.64 0.02 2
225 304 28 PRO CA C 62.68 0.05 1
226 304 28 PRO CB C 32.19 0.05 1
227 304 28 PRO CG C 25.70 0.05 1
228 304 28 PRO CD C 51.23 0.05 1
229 305 29 HIS H H 7.74 0.02 1
230 305 29 HIS HA H 4.24 0.02 1
231 305 29 HIS HB2 H 3.02 0.02 1
232 305 29 HIS HB3 H 3.25 0.02 1
233 305 29 HIS HD1 H 10.05 0.02 1
234 305 29 HIS HD2 H 6.49 0.02 1
235 305 29 HIS HE1 H 7.84 0.02 1
236 305 29 HIS C C 174.43 0.05 1
237 305 29 HIS CA C 58.23 0.05 1
238 305 29 HIS CB C 27.64 0.05 1
239 305 29 HIS N N 103.70 0.05 1
240 306 30 GLN H H 8.00 0.02 1
241 306 30 GLN HA H 4.07 0.02 1
242 306 30 GLN HB2 H 1.79 0.02 2
243 306 30 GLN HB3 H 2.19 0.02 2
244 306 30 GLN HG2 H 1.61 0.02 2
245 306 30 GLN HG3 H 2.19 0.02 2
246 306 30 GLN HE21 H 6.39 0.02 1
247 306 30 GLN HE22 H 8.02 0.02 1
248 306 30 GLN CA C 58.46 0.05 1
249 306 30 GLN CB C 30.59 0.05 1
250 306 30 GLN CG C 35.36 0.05 1
251 306 30 GLN N N 114.53 0.05 1
252 306 30 GLN NE2 N 113.32 0.05 1
253 307 31 ASN H H 8.33 0.02 1
254 307 31 ASN HA H 4.69 0.02 1
255 307 31 ASN HB2 H 2.79 0.02 1
256 307 31 ASN HB3 H 2.79 0.02 1
257 307 31 ASN HD21 H 7.50 0.02 2
258 307 31 ASN HD22 H 6.83 0.02 2
259 307 31 ASN C C 175.53 0.05 1
260 307 31 ASN CA C 52.73 0.05 1
261 307 31 ASN CB C 37.63 0.05 1
262 307 31 ASN N N 113.09 0.05 1
263 307 31 ASN ND2 N 112.90 0.05 1
264 308 32 ARG H H 7.14 0.02 1
265 308 32 ARG HA H 4.54 0.02 1
266 308 32 ARG HB2 H 1.56 0.02 2
267 308 32 ARG HB3 H 2.04 0.02 2
268 308 32 ARG HG2 H 1.64 0.02 1
269 308 32 ARG HG3 H 1.64 0.02 1
270 308 32 ARG HD2 H 2.85 0.02 2
271 308 32 ARG HD3 H 3.47 0.02 2
272 308 32 ARG HE H 8.40 0.02 1
273 308 32 ARG CA C 56.81 0.05 1
274 308 32 ARG CB C 33.16 0.05 1
275 308 32 ARG CG C 28.53 0.05 1
276 308 32 ARG CD C 44.19 0.05 1
277 308 32 ARG N N 119.53 0.05 1
278 308 32 ARG NE N 113.74 0.05 1
279 309 33 ALA HA H 4.56 0.02 1
280 309 33 ALA HB H 1.39 0.02 1
281 309 33 ALA C C 176.61 0.05 1
282 309 33 ALA CA C 51.27 0.05 1
283 309 33 ALA CB C 18.86 0.05 1
284 310 34 ASP H H 7.42 0.02 1
285 310 34 ASP HA H 4.70 0.02 1
286 310 34 ASP HB2 H 2.82 0.02 1
287 310 34 ASP HB3 H 3.13 0.02 1
288 310 34 ASP C C 176.68 0.05 1
289 310 34 ASP CA C 52.19 0.05 1
290 310 34 ASP CB C 41.62 0.05 1
291 310 34 ASP N N 117.61 0.05 1
292 311 35 GLU H H 9.64 0.02 1
293 311 35 GLU HA H 4.12 0.02 1
294 311 35 GLU HB2 H 2.05 0.02 1
295 311 35 GLU HB3 H 2.05 0.02 1
296 311 35 GLU HG2 H 2.36 0.02 1
297 311 35 GLU HG3 H 2.36 0.02 1
298 311 35 GLU C C 177.84 0.05 1
299 311 35 GLU CG C 36.77 0.05 1
300 311 35 GLU N N 119.00 0.05 1
301 312 36 ILE H H 7.40 0.02 1
302 312 36 ILE HA H 3.57 0.02 1
303 312 36 ILE HB H 2.02 0.02 1
304 312 36 ILE HG12 H 1.18 0.02 2
305 312 36 ILE HG13 H 1.48 0.02 2
306 312 36 ILE HG2 H 0.66 0.02 1
307 312 36 ILE HD1 H 0.71 0.02 1
308 312 36 ILE C C 177.33 0.05 1
309 312 36 ILE CA C 63.63 0.05 1
310 312 36 ILE CB C 35.89 0.05 1
311 312 36 ILE CG1 C 28.54 0.05 1
312 312 36 ILE CG2 C 17.91 0.05 1
313 312 36 ILE CD1 C 11.26 0.05 1
314 312 36 ILE N N 119.39 0.05 1
315 313 37 GLY H H 7.48 0.02 1
316 313 37 GLY HA2 H 4.02 0.02 2
317 313 37 GLY HA3 H 4.37 0.02 2
318 313 37 GLY C C 176.10 0.05 1
319 313 37 GLY CA C 47.02 0.05 1
320 313 37 GLY N N 107.93 0.05 1
321 314 38 ILE H H 7.57 0.02 1
322 314 38 ILE HA H 3.63 0.02 1
323 314 38 ILE HB H 1.95 0.02 1
324 314 38 ILE HG12 H 1.16 0.02 2
325 314 38 ILE HG13 H 1.62 0.02 2
326 314 38 ILE HG2 H 0.95 0.02 1
327 314 38 ILE HD1 H 0.82 0.02 1
328 314 38 ILE C C 178.93 0.05 1
329 314 38 ILE CA C 65.02 0.05 1
330 314 38 ILE CB C 37.57 0.05 1
331 314 38 ILE CG1 C 28.56 0.05 1
332 314 38 ILE CG2 C 16.97 0.05 1
333 314 38 ILE CD1 C 12.62 0.05 1
334 314 38 ILE N N 121.61 0.05 1
335 315 39 LEU H H 7.58 0.02 1
336 315 39 LEU HA H 4.17 0.02 1
337 315 39 LEU HB2 H 1.52 0.02 2
338 315 39 LEU HB3 H 1.96 0.02 2
339 315 39 LEU HG H 1.51 0.02 1
340 315 39 LEU HD1 H 0.83 0.02 1
341 315 39 LEU HD2 H 0.84 0.02 1
342 315 39 LEU C C 178.46 0.05 1
343 315 39 LEU CA C 57.79 0.05 1
344 315 39 LEU CB C 41.54 0.05 1
345 315 39 LEU CG C 26.89 0.05 1
346 315 39 LEU CD1 C 23.10 0.05 1
347 315 39 LEU CD2 C 26.18 0.05 1
348 315 39 LEU N N 121.65 0.05 1
349 316 40 ALA H H 8.79 0.02 1
350 316 40 ALA HA H 3.81 0.02 1
351 316 40 ALA HB H 1.54 0.02 1
352 316 40 ALA C C 179.60 0.05 1
353 316 40 ALA CA C 55.88 0.05 1
354 316 40 ALA CB C 19.65 0.05 1
355 316 40 ALA N N 122.59 0.05 1
356 317 41 LYS H H 8.50 0.02 1
357 317 41 LYS HA H 3.93 0.02 1
358 317 41 LYS HB2 H 1.85 0.02 1
359 317 41 LYS HB3 H 2.02 0.02 1
360 317 41 LYS HG2 H 1.56 0.02 2
361 317 41 LYS HG3 H 1.97 0.02 2
362 317 41 LYS HD2 H 1.82 0.02 1
363 317 41 LYS HD3 H 1.82 0.02 1
364 317 41 LYS HE2 H 3.06 0.02 1
365 317 41 LYS HE3 H 3.06 0.02 1
366 317 41 LYS C C 179.78 0.05 1
367 317 41 LYS CA C 60.54 0.05 1
368 317 41 LYS CB C 32.67 0.05 1
369 317 41 LYS CG C 26.60 0.05 1
370 317 41 LYS CD C 29.77 0.05 1
371 317 41 LYS CE C 42.49 0.05 1
372 317 41 LYS N N 116.63 0.05 1
373 318 42 SER H H 8.07 0.02 1
374 318 42 SER HA H 4.40 0.02 1
375 318 42 SER HB2 H 4.13 0.02 2
376 318 42 SER HB3 H 4.27 0.02 2
377 318 42 SER C C 176.73 0.05 1
378 318 42 SER CA C 62.45 0.05 1
379 318 42 SER CB C 62.98 0.05 1
380 318 42 SER N N 118.44 0.05 1
381 319 43 ILE H H 8.25 0.02 1
382 319 43 ILE HA H 3.57 0.02 1
383 319 43 ILE HB H 1.67 0.02 1
384 319 43 ILE HG12 H 1.23 0.02 1
385 319 43 ILE HG13 H -0.18 0.02 1
386 319 43 ILE HG2 H 0.68 0.02 1
387 319 43 ILE HD1 H 0.39 0.02 1
388 319 43 ILE C C 177.19 0.05 1
389 319 43 ILE CA C 65.22 0.05 1
390 319 43 ILE CB C 37.12 0.05 1
391 319 43 ILE CG1 C 28.64 0.05 1
392 319 43 ILE CG2 C 18.07 0.05 1
393 319 43 ILE CD1 C 14.96 0.05 1
394 319 43 ILE N N 125.30 0.05 1
395 320 44 GLU H H 8.09 0.02 1
396 320 44 GLU HA H 4.57 0.02 1
397 320 44 GLU HB2 H 1.85 0.02 2
398 320 44 GLU HB3 H 1.88 0.02 2
399 320 44 GLU HG2 H 2.04 0.02 2
400 320 44 GLU HG3 H 2.60 0.02 2
401 320 44 GLU C C 177.88 0.05 1
402 320 44 GLU CA C 58.27 0.05 1
403 320 44 GLU CB C 27.94 0.05 1
404 320 44 GLU CG C 33.71 0.05 1
405 320 44 GLU N N 122.80 0.05 1
406 321 45 ARG H H 7.98 0.02 1
407 321 45 ARG HA H 3.96 0.02 1
408 321 45 ARG HB2 H 1.97 0.02 1
409 321 45 ARG HB3 H 1.97 0.02 1
410 321 45 ARG HG2 H 1.55 0.02 2
411 321 45 ARG HG3 H 1.91 0.02 2
412 321 45 ARG HD2 H 3.31 0.02 1
413 321 45 ARG HD3 H 3.31 0.02 1
414 321 45 ARG C C 178.09 0.05 1
415 321 45 ARG CA C 60.23 0.05 1
416 321 45 ARG CB C 30.06 0.05 1
417 321 45 ARG CG C 28.25 0.05 1
418 321 45 ARG CD C 43.65 0.05 1
419 321 45 ARG N N 119.53 0.05 1
420 322 46 LEU H H 7.91 0.02 1
421 322 46 LEU HA H 4.22 0.02 1
422 322 46 LEU HB2 H 1.77 0.02 2
423 322 46 LEU HB3 H 2.30 0.02 2
424 322 46 LEU HG H 1.77 0.02 1
425 322 46 LEU HD1 H 0.94 0.02 2
426 322 46 LEU HD2 H 1.16 0.02 2
427 322 46 LEU C C 177.87 0.05 1
428 322 46 LEU CA C 58.13 0.05 1
429 322 46 LEU CB C 40.97 0.05 1
430 322 46 LEU CG C 27.20 0.05 1
431 322 46 LEU CD1 C 23.49 0.05 2
432 322 46 LEU CD2 C 27.07 0.05 2
433 322 46 LEU N N 121.22 0.05 1
434 323 47 ARG H H 9.06 0.02 1
435 323 47 ARG HA H 3.65 0.02 1
436 323 47 ARG HB2 H 1.78 0.02 2
437 323 47 ARG HB3 H 2.28 0.02 2
438 323 47 ARG HG2 H 1.42 0.02 1
439 323 47 ARG HG3 H 1.42 0.02 1
440 323 47 ARG HD2 H 2.70 0.02 2
441 323 47 ARG HD3 H 3.44 0.02 2
442 323 47 ARG C C 177.91 0.05 1
443 323 47 ARG CA C 60.83 0.05 1
444 323 47 ARG CB C 30.53 0.05 1
445 323 47 ARG CG C 27.13 0.05 1
446 323 47 ARG CD C 43.38 0.05 1
447 323 47 ARG N N 122.15 0.05 1
448 324 48 ARG H H 8.42 0.02 1
449 324 48 ARG HA H 3.89 0.02 1
450 324 48 ARG HB2 H 1.89 0.02 1
451 324 48 ARG HB3 H 1.89 0.02 1
452 324 48 ARG HG2 H 1.54 0.02 2
453 324 48 ARG HG3 H 1.87 0.02 2
454 324 48 ARG HD2 H 3.16 0.02 1
455 324 48 ARG HD3 H 3.16 0.02 1
456 324 48 ARG C C 179.52 0.05 1
457 324 48 ARG CA C 60.07 0.05 1
458 324 48 ARG CB C 30.24 0.05 1
459 324 48 ARG CG C 28.15 0.05 1
460 324 48 ARG CD C 43.61 0.05 1
461 324 48 ARG N N 115.77 0.05 1
462 325 49 SER H H 8.07 0.02 1
463 325 49 SER HA H 4.37 0.02 1
464 325 49 SER HB2 H 4.15 0.02 1
465 325 49 SER HB3 H 4.15 0.02 1
466 325 49 SER C C 176.90 0.05 1
467 325 49 SER CA C 61.77 0.05 1
468 325 49 SER CB C 63.05 0.05 1
469 325 49 SER N N 117.17 0.05 1
470 326 50 LEU H H 8.83 0.02 1
471 326 50 LEU HA H 4.17 0.02 1
472 326 50 LEU HB2 H 1.46 0.02 2
473 326 50 LEU HB3 H 2.02 0.02 2
474 326 50 LEU HG H 1.96 0.02 1
475 326 50 LEU HD1 H 0.77 0.02 1
476 326 50 LEU HD2 H 0.87 0.02 1
477 326 50 LEU C C 180.13 0.05 1
478 326 50 LEU CA C 57.81 0.05 1
479 326 50 LEU CB C 41.81 0.05 1
480 326 50 LEU CG C 26.76 0.05 1
481 326 50 LEU CD1 C 25.26 0.05 1
482 326 50 LEU CD2 C 22.15 0.05 1
483 326 50 LEU N N 122.11 0.05 1
484 327 51 LYS H H 8.43 0.02 1
485 327 51 LYS HA H 4.00 0.02 1
486 327 51 LYS HB2 H 1.92 0.02 2
487 327 51 LYS HB3 H 1.98 0.02 2
488 327 51 LYS HG2 H 1.54 0.02 1
489 327 51 LYS HG3 H 1.54 0.02 1
490 327 51 LYS HD2 H 1.69 0.02 1
491 327 51 LYS HD3 H 1.69 0.02 1
492 327 51 LYS HE2 H 2.97 0.02 1
493 327 51 LYS HE3 H 2.97 0.02 1
494 327 51 LYS C C 177.69 0.05 1
495 327 51 LYS CA C 59.35 0.05 1
496 327 51 LYS CB C 32.02 0.05 1
497 327 51 LYS CG C 25.45 0.05 1
498 327 51 LYS CD C 28.43 0.05 1
499 327 51 LYS CE C 41.72 0.05 1
500 327 51 LYS N N 121.73 0.05 1
501 328 52 GLN H H 7.96 0.02 1
502 328 52 GLN HA H 4.08 0.02 1
503 328 52 GLN HB2 H 2.14 0.02 2
504 328 52 GLN HB3 H 2.27 0.02 2
505 328 52 GLN HG2 H 2.43 0.02 2
506 328 52 GLN HG3 H 2.48 0.02 2
507 328 52 GLN HE21 H 7.83 0.02 2
508 328 52 GLN HE22 H 6.84 0.02 2
509 328 52 GLN C C 177.96 0.05 1
510 328 52 GLN CA C 58.81 0.05 1
511 328 52 GLN CB C 28.35 0.05 1
512 328 52 GLN CG C 33.72 0.05 1
513 328 52 GLN N N 119.59 0.05 1
514 328 52 GLN NE2 N 115.4 0.05 1
515 329 53 LEU H H 8.10 0.02 1
516 329 53 LEU HA H 4.15 0.02 1
517 329 53 LEU HB2 H 1.68 0.02 1
518 329 53 LEU HB3 H 1.86 0.02 1
519 329 53 LEU HG H 1.62 0.02 1
520 329 53 LEU HD1 H 0.93 0.02 1
521 329 53 LEU HD2 H 0.83 0.02 1
522 329 53 LEU C C 179.58 0.05 1
523 329 53 LEU CA C 58.08 0.05 1
524 329 53 LEU CB C 42.23 0.05 1
525 329 53 LEU CG C 26.85 0.05 1
526 329 53 LEU CD1 C 25.06 0.05 1
527 329 53 LEU CD2 C 23.84 0.05 1
528 329 53 LEU N N 119.18 0.05 1
529 330 54 ALA H H 7.85 0.02 1
530 330 54 ALA HA H 4.12 0.02 1
531 330 54 ALA HB H 1.55 0.02 1
532 330 54 ALA C C 180.53 0.05 1
533 330 54 ALA CA C 55.17 0.05 1
534 330 54 ALA CB C 17.85 0.05 1
535 330 54 ALA N N 122.11 0.05 1
536 331 55 ASP H H 8.46 0.02 1
537 331 55 ASP HA H 4.50 0.02 1
538 331 55 ASP HB2 H 2.87 0.02 1
539 331 55 ASP HB3 H 2.69 0.02 1
540 331 55 ASP C C 179.08 0.05 1
541 331 55 ASP CA C 57.48 0.05 1
542 331 55 ASP CB C 40.04 0.05 1
543 331 55 ASP N N 121.54 0.05 1
544 332 56 ASP H H 8.76 0.02 1
545 332 56 ASP HA H 4.44 0.02 1
546 332 56 ASP HB2 H 2.67 0.02 2
547 332 56 ASP HB3 H 2.92 0.02 2
548 332 56 ASP C C 179.10 0.05 1
549 332 56 ASP CA C 57.55 0.05 1
550 332 56 ASP CB C 40.21 0.05 1
551 332 56 ASP N N 121.80 0.05 1
552 333 57 ARG H H 8.23 0.02 1
553 333 57 ARG HA H 4.08 0.02 1
554 333 57 ARG HB2 H 2.06 0.02 2
555 333 57 ARG HB3 H 2.12 0.02 2
556 333 57 ARG HG2 H 1.55 0.02 2
557 333 57 ARG HG3 H 1.92 0.02 2
558 333 57 ARG HD2 H 3.22 0.02 1
559 333 57 ARG HD3 H 3.22 0.02 1
560 333 57 ARG C C 178.18 0.05 1
561 333 57 ARG CA C 60.14 0.05 1
562 333 57 ARG CB C 30.18 0.05 1
563 333 57 ARG CG C 28.39 0.05 1
564 333 57 ARG CD C 43.64 0.05 1
565 333 57 ARG N N 121.33 0.05 1
566 334 58 THR H H 8.07 0.02 1
567 334 58 THR HA H 3.95 0.02 1
568 334 58 THR HB H 4.37 0.02 1
569 334 58 THR HG2 H 1.31 0.02 1
570 334 58 THR C C 176.69 0.05 1
571 334 58 THR CA C 66.83 0.05 1
572 334 58 THR CB C 68.67 0.05 1
573 334 58 THR CG2 C 21.95 0.05 1
574 334 58 THR N N 116.08 0.05 1
575 335 59 LEU H H 7.78 0.02 1
576 335 59 LEU HA H 4.14 0.02 1
577 335 59 LEU HB2 H 1.67 0.02 2
578 335 59 LEU HB3 H 1.86 0.02 2
579 335 59 LEU HG H 1.53 0.02 1
580 335 59 LEU HD2 H 0.87 0.02 2
581 335 59 LEU C C 180.04 0.05 1
582 335 59 LEU CA C 57.86 0.05 1
583 335 59 LEU CB C 41.89 0.05 1
584 335 59 LEU CG C 28.56 0.05 1
585 335 59 LEU CD1 C 27.02 0.05 2
586 335 59 LEU CD2 C 23.92 0.05 2
587 335 59 LEU N N 122.82 0.05 1
588 336 60 LEU H H 8.20 0.02 1
589 336 60 LEU HA H 4.11 0.02 1
590 336 60 LEU HB2 H 1.80 0.02 1
591 336 60 LEU HB3 H 1.80 0.02 1
592 336 60 LEU HG H 1.67 0.02 1
593 336 60 LEU HD1 H 0.87 0.02 1
594 336 60 LEU HD2 H 0.87 0.02 1
595 336 60 LEU C C 179.36 0.05 1
596 336 60 LEU CA C 58.03 0.05 1
597 336 60 LEU CB C 42.04 0.05 1
598 336 60 LEU CG C 27.06 0.05 1
599 336 60 LEU CD1 C 24.37 0.05 2
600 336 60 LEU CD2 C 24.98 0.05 2
601 336 60 LEU N N 122.20 0.05 1
602 337 61 MET H H 8.34 0.02 1
603 337 61 MET HA H 4.16 0.02 1
604 337 61 MET HB2 H 2.15 0.02 2
605 337 61 MET HB3 H 1.82 0.02 2
606 337 61 MET HG2 H 2.61 0.02 2
607 337 61 MET HG3 H 2.71 0.02 2
608 337 61 MET HE H 1.93 0.02 1
609 337 61 MET C C 177.00 0.05 1
610 337 61 MET CA C 58.02 0.05 1
611 337 61 MET CB C 31.96 0.05 1
612 337 61 MET CG C 32.55 0.05 1
613 337 61 MET CE C 17.40 0.05 1
614 337 61 MET N N 117.14 0.05 1
615 338 62 ALA H H 8.03 0.02 1
616 338 62 ALA HA H 4.13 0.02 1
617 338 62 ALA HB H 1.54 0.02 1
618 338 62 ALA C C 180.42 0.05 1
619 338 62 ALA CA C 55.05 0.05 1
620 338 62 ALA CB C 18.03 0.05 1
621 338 62 ALA N N 122.85 0.05 1
622 339 63 GLY H H 8.01 0.02 1
623 339 63 GLY HA2 H 3.91 0.02 2
624 339 63 GLY HA3 H 3.95 0.02 2
625 339 63 GLY C C 175.24 0.05 1
626 339 63 GLY CA C 47.19 0.05 1
627 339 63 GLY N N 107.14 0.05 1
628 340 64 VAL H H 8.07 0.02 1
629 340 64 VAL HA H 3.81 0.02 1
630 340 64 VAL HB H 1.93 0.02 1
631 340 64 VAL HG1 H 0.64 0.02 1
632 340 64 VAL HG2 H 0.78 0.02 1
633 340 64 VAL C C 176.96 0.05 1
634 340 64 VAL CA C 65.77 0.05 1
635 340 64 VAL CB C 31.92 0.05 1
636 340 64 VAL CG1 C 20.98 0.05 1
637 340 64 VAL CG2 C 22.55 0.05 1
638 340 64 VAL N N 121.56 0.05 1
639 341 65 SER H H 7.84 0.02 1
640 341 65 SER HA H 3.98 0.02 1
641 341 65 SER HB2 H 3.87 0.02 1
642 341 65 SER HB3 H 3.87 0.02 1
643 341 65 SER C C 175.86 0.05 1
644 341 65 SER CA C 61.43 0.05 1
645 341 65 SER CB C 63.09 0.05 1
646 341 65 SER N N 112.89 0.05 1
647 342 66 HIS H H 7.70 0.02 1
648 342 66 HIS HA H 3.93 0.02 1
649 342 66 HIS HB2 H 3.29 0.02 2
650 342 66 HIS HB3 H 3.32 0.02 2
651 342 66 HIS HD2 H 6.14 0.02 1
652 342 66 HIS HE1 H 7.96 0.02 1
653 342 66 HIS C C 177.78 0.05 1
654 342 66 HIS CA C 59.36 0.05 1
655 342 66 HIS CB C 29.98 0.05 1
656 342 66 HIS N N 119.11 0.05 1
657 343 67 ASP H H 8.74 0.02 1
658 343 67 ASP HA H 4.46 0.02 1
659 343 67 ASP HB2 H 2.69 0.02 2
660 343 67 ASP HB3 H 2.89 0.02 2
661 343 67 ASP C C 178.47 0.05 1
662 343 67 ASP CA C 57.28 0.05 1
663 343 67 ASP CB C 39.91 0.05 1
664 343 67 ASP N N 120.91 0.05 1
665 344 68 LEU H H 8.28 0.02 1
666 344 68 LEU HA H 4.21 0.02 1
667 344 68 LEU HB2 H 1.56 0.02 2
668 344 68 LEU HB3 H 1.84 0.02 2
669 344 68 LEU HG H 1.88 0.02 1
670 344 68 LEU HD1 H 0.82 0.02 2
671 344 68 LEU HD2 H 0.86 0.02 2
672 344 68 LEU C C 177.01 0.05 1
673 344 68 LEU CA C 56.90 0.05 1
674 344 68 LEU CB C 43.22 0.05 1
675 344 68 LEU CG C 27.19 0.05 1
676 344 68 LEU CD1 C 25.44 0.05 2
677 344 68 LEU N N 118.33 0.05 1
678 345 69 ARG H H 7.47 0.02 1
679 345 69 ARG HA H 3.94 0.02 1
680 345 69 ARG HB2 H 1.88 0.02 2
681 345 69 ARG HB3 H 2.02 0.02 2
682 345 69 ARG HG2 H 1.65 0.02 1
683 345 69 ARG HG3 H 1.65 0.02 1
684 345 69 ARG HD2 H 3.17 0.02 1
685 345 69 ARG HD3 H 3.17 0.02 1
686 345 69 ARG C C 178.84 0.05 1
687 345 69 ARG CA C 59.55 0.05 1
688 345 69 ARG CB C 30.24 0.05 1
689 345 69 ARG CG C 28.72 0.05 1
690 345 69 ARG CD C 43.26 0.05 1
691 345 69 ARG N N 114.53 0.05 1
692 346 70 THR H H 7.59 0.02 1
693 346 70 THR HA H 4.38 0.02 1
694 346 70 THR HB H 4.09 0.02 1
695 346 70 THR HG2 H 1.20 0.02 1
696 346 70 THR CA C 66.65 0.05 1
697 346 70 THR CB C 69.09 0.05 1
698 346 70 THR CG2 C 22.04 0.05 1
699 346 70 THR N N 115.74 0.05 1
700 347 71 PRO HA H 4.10 0.02 1
701 347 71 PRO HB2 H 2.31 0.02 2
702 347 71 PRO HB3 H 1.89 0.02 2
703 347 71 PRO HG2 H 1.87 0.02 2
704 347 71 PRO HG3 H 2.30 0.02 2
705 347 71 PRO HD2 H 4.18 0.02 2
706 347 71 PRO HD3 H 3.41 0.02 2
707 347 71 PRO CA C 65.67 0.05 1
708 347 71 PRO CB C 31.38 0.05 1
709 347 71 PRO CD C 50.15 0.05 1
710 348 72 LEU H H 6.89 0.02 1
711 348 72 LEU HA H 3.95 0.02 1
712 348 72 LEU C C 179.12 0.05 1
713 348 72 LEU CA C 58.45 0.05 1
714 348 72 LEU CB C 41.36 0.05 1
715 348 72 LEU CD1 C 26.50 0.05 2
716 348 72 LEU CD2 C 23.28 0.05 2
717 348 72 LEU N N 114.94 0.05 1
718 349 73 THR H H 8.15 0.02 1
719 349 73 THR HA H 3.93 0.02 1
720 349 73 THR HB H 4.41 0.02 1
721 349 73 THR HG2 H 1.22 0.02 1
722 349 73 THR C C 176.10 0.05 1
723 349 73 THR CA C 66.76 0.05 1
724 349 73 THR CB C 68.77 0.05 1
725 349 73 THR CG2 C 21.46 0.05 1
726 349 73 THR N N 116.28 0.05 1
727 350 74 ARG H H 7.55 0.02 1
728 350 74 ARG C C 180.13 0.05 1
729 350 74 ARG CA C 61.03 0.05 1
730 350 74 ARG CB C 30.93 0.05 1
731 350 74 ARG CG C 29.61 0.05 1
732 350 74 ARG N N 121.32 0.05 1
733 351 75 ILE H H 8.09 0.02 1
734 351 75 ILE HA H 3.72 0.02 1
735 351 75 ILE HG2 H 0.83 0.02 1
736 351 75 ILE C C 177.07 0.05 1
737 351 75 ILE CA C 65.96 0.05 1
738 351 75 ILE CB C 37.60 0.05 1
739 351 75 ILE CG1 C 29.38 0.05 1
740 351 75 ILE CG2 C 17.90 0.05 1
741 351 75 ILE CD1 C 13.55 0.05 1
742 351 75 ILE N N 122.39 0.05 1
743 352 76 ARG H H 7.76 0.02 1
744 352 76 ARG CA C 59.34 0.05 1
745 352 76 ARG N N 120.45 0.05 1
746 354 78 ALA HA H 4.14 0.02 1
747 354 78 ALA HB H 1.49 0.02 1
748 354 78 ALA C C 180.62 0.05 1
749 354 78 ALA CA C 55.15 0.05 1
750 354 78 ALA CB C 17.86 0.05 1
751 355 79 THR H H 7.97 0.02 1
752 355 79 THR HA H 4.04 0.02 1
753 355 79 THR HB H 4.07 0.02 1
754 355 79 THR HG1 H 6.13 0.02 1
755 355 79 THR HG2 H 1.38 0.02 1
756 355 79 THR C C 177.25 0.05 1
757 355 79 THR CA C 65.16 0.05 1
758 355 79 THR CB C 68.96 0.05 1
759 355 79 THR CG2 C 22.13 0.05 1
760 355 79 THR N N 107.52 0.05 1
761 356 80 GLU H H 7.39 0.02 1
762 356 80 GLU HA H 4.09 0.02 1
763 356 80 GLU C C 177.28 0.05 1
764 356 80 GLU CA C 58.02 0.05 1
765 356 80 GLU CB C 29.49 0.05 1
766 356 80 GLU CG C 36.36 0.05 1
767 356 80 GLU N N 120.49 0.05 1
768 357 81 MET H H 7.50 0.02 1
769 357 81 MET CA C 55.03 0.05 1
770 357 81 MET CB C 32.66 0.05 1
771 357 81 MET CG C 33.58 0.05 1
772 357 81 MET N N 115.66 0.05 1
773 358 82 MET H H 7.01 0.02 1
774 358 82 MET HA H 3.97 0.02 1
775 358 82 MET CA C 57.26 0.05 1
776 358 82 MET CB C 33.94 0.05 1
777 358 82 MET N N 119.47 0.05 1
778 362 86 ASP H H 7.62 0.02 1
779 362 86 ASP HA H 5.10 0.02 1
780 362 86 ASP HB2 H 2.61 0.02 2
781 362 86 ASP HB3 H 3.04 0.02 2
782 362 86 ASP C C 176.74 0.05 1
783 362 86 ASP CA C 53.68 0.05 1
784 362 86 ASP CB C 40.93 0.05 1
785 362 86 ASP N N 118.71 0.05 1
786 363 87 GLY H H 7.93 0.02 1
787 363 87 GLY HA2 H 3.95 0.02 2
788 363 87 GLY HA3 H 4.07 0.02 2
789 363 87 GLY CA C 47.88 0.05 1
790 363 87 GLY N N 110.38 0.05 1
791 364 88 TYR HA H 4.69 0.02 1
792 364 88 TYR HB2 H 3.14 0.02 2
793 364 88 TYR HD1 H 7.16 0.02 1
794 364 88 TYR HD2 H 7.16 0.02 1
795 364 88 TYR HE1 H 6.94 0.02 1
796 364 88 TYR HE2 H 6.94 0.02 1
797 364 88 TYR C C 177.61 0.05 1
798 364 88 TYR CA C 58.36 0.05 1
799 364 88 TYR CB C 41.80 0.05 1
800 365 89 LEU H H 7.09 0.02 1
801 365 89 LEU HA H 3.92 0.02 1
802 365 89 LEU HB2 H 1.14 0.02 2
803 365 89 LEU HB3 H 1.65 0.02 2
804 365 89 LEU HG H 1.63 0.02 1
805 365 89 LEU HD1 H 0.80 0.02 1
806 365 89 LEU HD2 H 0.80 0.02 1
807 365 89 LEU C C 178.18 0.05 1
808 365 89 LEU CA C 56.73 0.05 1
809 365 89 LEU CB C 41.93 0.05 1
810 365 89 LEU CG C 26.29 0.05 1
811 365 89 LEU CD1 C 25.31 0.05 2
812 365 89 LEU CD2 C 23.59 0.05 2
813 365 89 LEU N N 123.91 0.05 1
814 366 90 ALA H H 7.88 0.02 1
815 366 90 ALA HA H 3.84 0.02 1
816 366 90 ALA HB H 1.57 0.02 1
817 366 90 ALA C C 179.61 0.05 1
818 366 90 ALA CA C 55.24 0.05 1
819 366 90 ALA CB C 18.42 0.05 1
820 366 90 ALA N N 122.99 0.05 1
821 367 91 GLU H H 8.11 0.02 1
822 367 91 GLU HA H 4.01 0.02 1
823 367 91 GLU HB2 H 2.14 0.02 2
824 367 91 GLU HB3 H 2.27 0.02 2
825 367 91 GLU CA C 59.42 0.05 1
826 367 91 GLU CB C 29.62 0.05 1
827 367 91 GLU CG C 36.41 0.05 1
828 367 91 GLU N N 116.92 0.05 1
829 368 92 SER H H 7.53 0.02 1
830 368 92 SER HA H 4.01 0.02 1
831 368 92 SER C C 176.36 0.05 1
832 368 92 SER CA C 61.78 0.05 1
833 368 92 SER CB C 63.08 0.05 1
834 368 92 SER N N 115.55 0.05 1
835 369 93 ILE H H 8.38 0.02 1
836 369 93 ILE HA H 3.82 0.02 1
837 369 93 ILE HB H 1.83 0.02 1
838 369 93 ILE HG2 H 0.65 0.02 1
839 369 93 ILE HD1 H 0.60 0.02 1
840 369 93 ILE CA C 65.47 0.05 1
841 369 93 ILE CB C 38.11 0.05 1
842 369 93 ILE CG1 C 29.42 0.05 1
843 369 93 ILE CG2 C 17.73 0.05 1
844 369 93 ILE CD1 C 13.12 0.05 1
845 369 93 ILE N N 121.69 0.05 1
846 370 94 ASN H H 8.24 0.02 1
847 370 94 ASN HA H 4.32 0.02 1
848 370 94 ASN HB2 H 2.64 0.02 2
849 370 94 ASN HB3 H 2.84 0.02 2
850 370 94 ASN HD21 H 7.21 0.02 2
851 370 94 ASN HD22 H 6.94 0.02 2
852 370 94 ASN CA C 57.52 0.05 1
853 370 94 ASN CB C 38.57 0.05 1
854 370 94 ASN N N 117.61 0.05 1
855 370 94 ASN ND2 N 111.10 0.05 1
856 371 95 LYS H H 7.93 0.02 1
857 371 95 LYS N N 121.31 0.05 1
858 372 96 ASP C C 179.30 0.05 1
859 373 97 ILE H H 8.69 0.02 1
860 373 97 ILE HA H 3.63 0.02 1
861 373 97 ILE HB H 2.22 0.02 1
862 373 97 ILE HG13 H 1.68 0.02 2
863 373 97 ILE HG2 H 0.83 0.02 1
864 373 97 ILE HD1 H 0.80 0.02 1
865 373 97 ILE C C 178.33 0.05 1
866 373 97 ILE CA C 65.05 0.05 1
867 373 97 ILE CB C 37.01 0.05 1
868 373 97 ILE CG1 C 27.96 0.05 1
869 373 97 ILE CG2 C 17.70 0.05 1
870 373 97 ILE CD1 C 13.03 0.05 1
871 373 97 ILE N N 122.91 0.05 1
872 374 98 GLU H H 8.03 0.02 1
873 374 98 GLU HA H 4.12 0.02 1
874 374 98 GLU HB2 H 2.21 0.02 1
875 374 98 GLU HB3 H 2.21 0.02 1
876 374 98 GLU HG2 H 2.13 0.02 1
877 374 98 GLU HG3 H 2.13 0.02 1
878 374 98 GLU C C 179.74 0.05 1
879 374 98 GLU CA C 59.57 0.05 1
880 374 98 GLU CB C 28.91 0.05 1
881 374 98 GLU CG C 36.43 0.05 1
882 374 98 GLU N N 120.31 0.05 1
883 375 99 GLU H H 8.05 0.02 1
884 375 99 GLU HA H 4.14 0.02 1
885 375 99 GLU HB2 H 2.04 0.02 2
886 375 99 GLU HB3 H 2.32 0.02 2
887 375 99 GLU HG2 H 2.20 0.02 2
888 375 99 GLU HG3 H 2.27 0.02 2
889 375 99 GLU C C 178.81 0.05 1
890 375 99 GLU CA C 59.83 0.05 1
891 375 99 GLU CB C 29.22 0.05 1
892 375 99 GLU CG C 36.17 0.05 1
893 375 99 GLU N N 121.96 0.05 1
894 376 100 CYS H H 8.14 0.02 1
895 376 100 CYS HA H 3.98 0.02 1
896 376 100 CYS HB2 H 2.50 0.02 2
897 376 100 CYS HB3 H 3.33 0.02 2
898 376 100 CYS CA C 64.72 0.05 1
899 376 100 CYS CB C 27.12 0.05 1
900 376 100 CYS N N 117.24 0.05 1
901 377 101 ASN H H 8.45 0.02 1
902 377 101 ASN HA H 4.20 0.02 1
903 377 101 ASN HB2 H 2.78 0.02 1
904 377 101 ASN HB3 H 2.78 0.02 1
905 377 101 ASN HD21 H 7.23 0.02 2
906 377 101 ASN HD22 H 6.44 0.02 2
907 377 101 ASN C C 179.75 0.05 1
908 377 101 ASN CA C 56.57 0.05 1
909 377 101 ASN CB C 38.42 0.05 1
910 377 101 ASN N N 117.14 0.05 1
911 377 101 ASN ND2 N 110.3 0.05 1
912 378 102 ALA H H 8.05 0.02 1
913 378 102 ALA HA H 4.13 0.02 1
914 378 102 ALA HB H 1.56 0.02 1
915 378 102 ALA C C 180.51 0.05 1
916 378 102 ALA CA C 55.12 0.05 1
917 378 102 ALA CB C 17.96 0.05 1
918 378 102 ALA N N 122.8 0.05 1
919 379 103 ILE H H 7.99 0.02 1
920 379 103 ILE HA H 3.81 0.02 1
921 379 103 ILE HB H 1.86 0.02 1
922 379 103 ILE HG2 H 0.87 0.02 1
923 379 103 ILE HD1 H 0.83 0.02 1
924 379 103 ILE CA C 64.56 0.05 1
925 379 103 ILE CB C 38.08 0.05 1
926 379 103 ILE CG1 C 28.81 0.05 1
927 379 103 ILE CG2 C 17.77 0.05 1
928 379 103 ILE CD1 C 13.87 0.05 1
929 379 103 ILE N N 120.32 0.05 1
930 381 105 GLU H H 8.08 0.02 1
931 381 105 GLU HA H 3.97 0.02 1
932 381 105 GLU HB2 H 2.09 0.02 1
933 381 105 GLU HB3 H 2.09 0.02 1
934 381 105 GLU C C 178.44 0.05 1
935 381 105 GLU CA C 59.26 0.05 1
936 381 105 GLU CB C 29.57 0.05 1
937 381 105 GLU CG C 36.06 0.05 1
938 381 105 GLU N N 118.80 0.05 1
939 382 106 GLN H H 7.69 0.02 1
940 382 106 GLN HA H 4.05 0.02 1
941 382 106 GLN HE21 H 7.15 0.02 2
942 382 106 GLN HE22 H 6.76 0.02 2
943 382 106 GLN C C 177.55 0.05 1
944 382 106 GLN CA C 58.09 0.05 1
945 382 106 GLN CB C 31.56 0.05 1
946 382 106 GLN CG C 34.19 0.05 1
947 382 106 GLN N N 117.00 0.05 1
948 382 106 GLN NE2 N 111.24 0.05 1
949 383 107 PHE H H 7.99 0.02 1
950 383 107 PHE HA H 4.49 0.02 1
951 383 107 PHE HB2 H 3.23 0.02 2
952 383 107 PHE HB3 H 3.28 0.02 2
953 383 107 PHE HD1 H 7.22 0.02 1
954 383 107 PHE HD2 H 7.22 0.02 1
955 383 107 PHE HE1 H 7.12 0.02 1
956 383 107 PHE HE2 H 7.12 0.02 1
957 383 107 PHE C C 176.57 0.05 1
958 383 107 PHE CA C 59.70 0.05 1
959 383 107 PHE CB C 39.31 0.05 1
960 383 107 PHE N N 118.67 0.05 1
961 384 108 ILE H H 7.90 0.02 1
962 384 108 ILE HA H 3.73 0.02 1
963 384 108 ILE HD1 H 0.86 0.02 1
964 384 108 ILE C C 177.45 0.05 1
965 384 108 ILE CA C 63.57 0.05 1
966 384 108 ILE CB C 37.63 0.05 1
967 384 108 ILE CD1 C 17.65 0.05 1
968 384 108 ILE N N 117.45 0.05 1
969 385 109 ASP H H 7.73 0.02 1
970 385 109 ASP HA H 4.45 0.02 1
971 385 109 ASP HB2 H 2.57 0.02 2
972 385 109 ASP HB3 H 2.65 0.02 2
973 385 109 ASP C C 177.69 0.05 1
974 385 109 ASP CA C 56.37 0.05 1
975 385 109 ASP CB C 41.00 0.05 1
976 385 109 ASP N N 119.22 0.05 1
977 386 110 TYR H H 7.73 0.02 1
978 386 110 TYR HA H 4.48 0.02 1
979 386 110 TYR HB2 H 3.00 0.02 2
980 386 110 TYR HB3 H 3.11 0.02 2
981 386 110 TYR C C 176.32 0.05 1
982 386 110 TYR CA C 58.65 0.05 1
983 386 110 TYR CB C 38.66 0.05 1
984 386 110 TYR N N 117.91 0.05 1
985 387 111 LEU H H 7.60 0.02 1
986 387 111 LEU HA H 4.21 0.02 1
987 387 111 LEU HB2 H 1.59 0.02 2
988 387 111 LEU HB3 H 1.65 0.02 2
989 387 111 LEU C C 175.90 0.05 1
990 387 111 LEU CA C 55.24 0.05 1
991 387 111 LEU CB C 42.10 0.05 1
992 387 111 LEU N N 120.38 0.05 1
993 388 112 ARG H H 7.45 0.02 1
994 388 112 ARG HA H 4.15 0.02 1
995 388 112 ARG HB2 H 1.77 0.02 1
996 388 112 ARG HB3 H 1.77 0.02 1
997 388 112 ARG CA C 58.14 0.05 1
998 388 112 ARG CB C 27.13 0.05 1
999 388 112 ARG CG C 24.68 0.05 1
1000 388 112 ARG CD C 41.79 0.05 1
1001 388 112 ARG N N 126.56 0.05 1
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