data_27879
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Resonance assignemnt of HpDnaB:ADP:AlF4-:DNA
;
_BMRB_accession_number 27879
_BMRB_flat_file_name bmr27879.str
_Entry_type original
_Submission_date 2019-04-17
_Accession_date 2019-04-17
_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 Schledorn Maarten . .
2 Cadalbert Riccardo . .
3 Meier 'Beat H.' . .
4 Boeckmann Anja . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 283
"13C chemical shifts" 721
"15N chemical shifts" 191
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2020-08-14 update BMRB 'update entry citation'
2019-04-18 original author 'original release'
stop_
_Original_release_date 2019-04-17
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Nucleotide binding modes in a motor protein revealed by 31P and 1H-detected MAS solid-state NMR
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 31310428
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Wiegand Thomas . .
2 Schledorn Maarten . .
3 Malar Alexander A. .
4 Cadalbert Riccardo . .
5 Dapp Alexander . .
6 Terradot Laurent . .
7 Meier Beat H. .
8 Bockmann Anja . .
stop_
_Journal_abbreviation Chembiochem
_Journal_name_full 'Chembiochem : a European journal of chemical biology'
_Journal_volume 21
_Journal_issue 3
_Journal_ISSN 1439-7633
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 324
_Page_last 330
_Year 2020
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'DnaB (double-)hexamer'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'DnaB helicase' $DnaB_helicase
'Magnesium ion' $entity_MG
ADP $entity_ADP
AlF4- $entity_ALF
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details "The system contains (dT)20: single-stranded DNA oligonucleotide with sequence 5'-(T)20-3'."
save_
########################
# Monomeric polymers #
########################
save_DnaB_helicase
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common DnaB_helicase
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 488
_Mol_residue_sequence
;
MDHLKHLQQLQNIERIVLSG
IVLANHKIEEVHSVLEPSDF
YYPPNGLFFEIALKLHEEDC
PIDENFIRQKMPKDKQIKEE
DLVAIFAASPIDNIEAYVEE
IKNASIKRKLFGLANTIREQ
ALESAQKSSDILGAVEREVY
ALLNGSTIEGFRNIKEVLES
AMDLITENQRKGSLEVTGIP
TGFVQLDNYTSGFNKGSLVI
IGARPSMGKTSLMMNMVLSA
LNDDRGVAVFSLEMSAEQLA
LRALSDLTSINMHDLESGRL
DDDQWENLAKCFDHLSQKKL
FFYDKSYVRIEQIRLQLRKL
KSQHKELGIAFIDYLQLMSG
SKATKERHEQIAEISRELKT
LARELEIPIIALVQLNRSLE
NRDDKRPILSDIKDSGGIEQ
DADIVLFLYRGYIYQMRAED
NKIDKLKKEGKIEEAQELYL
KVNEERRIHKQNGSIEEAEI
IVAKNRNGATGTVYTRFNAP
FTRYEDMPIDSHLEEGQETK
VDYDIVTT
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ASP 3 HIS 4 LEU 5 LYS
6 HIS 7 LEU 8 GLN 9 GLN 10 LEU
11 GLN 12 ASN 13 ILE 14 GLU 15 ARG
16 ILE 17 VAL 18 LEU 19 SER 20 GLY
21 ILE 22 VAL 23 LEU 24 ALA 25 ASN
26 HIS 27 LYS 28 ILE 29 GLU 30 GLU
31 VAL 32 HIS 33 SER 34 VAL 35 LEU
36 GLU 37 PRO 38 SER 39 ASP 40 PHE
41 TYR 42 TYR 43 PRO 44 PRO 45 ASN
46 GLY 47 LEU 48 PHE 49 PHE 50 GLU
51 ILE 52 ALA 53 LEU 54 LYS 55 LEU
56 HIS 57 GLU 58 GLU 59 ASP 60 CYS
61 PRO 62 ILE 63 ASP 64 GLU 65 ASN
66 PHE 67 ILE 68 ARG 69 GLN 70 LYS
71 MET 72 PRO 73 LYS 74 ASP 75 LYS
76 GLN 77 ILE 78 LYS 79 GLU 80 GLU
81 ASP 82 LEU 83 VAL 84 ALA 85 ILE
86 PHE 87 ALA 88 ALA 89 SER 90 PRO
91 ILE 92 ASP 93 ASN 94 ILE 95 GLU
96 ALA 97 TYR 98 VAL 99 GLU 100 GLU
101 ILE 102 LYS 103 ASN 104 ALA 105 SER
106 ILE 107 LYS 108 ARG 109 LYS 110 LEU
111 PHE 112 GLY 113 LEU 114 ALA 115 ASN
116 THR 117 ILE 118 ARG 119 GLU 120 GLN
121 ALA 122 LEU 123 GLU 124 SER 125 ALA
126 GLN 127 LYS 128 SER 129 SER 130 ASP
131 ILE 132 LEU 133 GLY 134 ALA 135 VAL
136 GLU 137 ARG 138 GLU 139 VAL 140 TYR
141 ALA 142 LEU 143 LEU 144 ASN 145 GLY
146 SER 147 THR 148 ILE 149 GLU 150 GLY
151 PHE 152 ARG 153 ASN 154 ILE 155 LYS
156 GLU 157 VAL 158 LEU 159 GLU 160 SER
161 ALA 162 MET 163 ASP 164 LEU 165 ILE
166 THR 167 GLU 168 ASN 169 GLN 170 ARG
171 LYS 172 GLY 173 SER 174 LEU 175 GLU
176 VAL 177 THR 178 GLY 179 ILE 180 PRO
181 THR 182 GLY 183 PHE 184 VAL 185 GLN
186 LEU 187 ASP 188 ASN 189 TYR 190 THR
191 SER 192 GLY 193 PHE 194 ASN 195 LYS
196 GLY 197 SER 198 LEU 199 VAL 200 ILE
201 ILE 202 GLY 203 ALA 204 ARG 205 PRO
206 SER 207 MET 208 GLY 209 LYS 210 THR
211 SER 212 LEU 213 MET 214 MET 215 ASN
216 MET 217 VAL 218 LEU 219 SER 220 ALA
221 LEU 222 ASN 223 ASP 224 ASP 225 ARG
226 GLY 227 VAL 228 ALA 229 VAL 230 PHE
231 SER 232 LEU 233 GLU 234 MET 235 SER
236 ALA 237 GLU 238 GLN 239 LEU 240 ALA
241 LEU 242 ARG 243 ALA 244 LEU 245 SER
246 ASP 247 LEU 248 THR 249 SER 250 ILE
251 ASN 252 MET 253 HIS 254 ASP 255 LEU
256 GLU 257 SER 258 GLY 259 ARG 260 LEU
261 ASP 262 ASP 263 ASP 264 GLN 265 TRP
266 GLU 267 ASN 268 LEU 269 ALA 270 LYS
271 CYS 272 PHE 273 ASP 274 HIS 275 LEU
276 SER 277 GLN 278 LYS 279 LYS 280 LEU
281 PHE 282 PHE 283 TYR 284 ASP 285 LYS
286 SER 287 TYR 288 VAL 289 ARG 290 ILE
291 GLU 292 GLN 293 ILE 294 ARG 295 LEU
296 GLN 297 LEU 298 ARG 299 LYS 300 LEU
301 LYS 302 SER 303 GLN 304 HIS 305 LYS
306 GLU 307 LEU 308 GLY 309 ILE 310 ALA
311 PHE 312 ILE 313 ASP 314 TYR 315 LEU
316 GLN 317 LEU 318 MET 319 SER 320 GLY
321 SER 322 LYS 323 ALA 324 THR 325 LYS
326 GLU 327 ARG 328 HIS 329 GLU 330 GLN
331 ILE 332 ALA 333 GLU 334 ILE 335 SER
336 ARG 337 GLU 338 LEU 339 LYS 340 THR
341 LEU 342 ALA 343 ARG 344 GLU 345 LEU
346 GLU 347 ILE 348 PRO 349 ILE 350 ILE
351 ALA 352 LEU 353 VAL 354 GLN 355 LEU
356 ASN 357 ARG 358 SER 359 LEU 360 GLU
361 ASN 362 ARG 363 ASP 364 ASP 365 LYS
366 ARG 367 PRO 368 ILE 369 LEU 370 SER
371 ASP 372 ILE 373 LYS 374 ASP 375 SER
376 GLY 377 GLY 378 ILE 379 GLU 380 GLN
381 ASP 382 ALA 383 ASP 384 ILE 385 VAL
386 LEU 387 PHE 388 LEU 389 TYR 390 ARG
391 GLY 392 TYR 393 ILE 394 TYR 395 GLN
396 MET 397 ARG 398 ALA 399 GLU 400 ASP
401 ASN 402 LYS 403 ILE 404 ASP 405 LYS
406 LEU 407 LYS 408 LYS 409 GLU 410 GLY
411 LYS 412 ILE 413 GLU 414 GLU 415 ALA
416 GLN 417 GLU 418 LEU 419 TYR 420 LEU
421 LYS 422 VAL 423 ASN 424 GLU 425 GLU
426 ARG 427 ARG 428 ILE 429 HIS 430 LYS
431 GLN 432 ASN 433 GLY 434 SER 435 ILE
436 GLU 437 GLU 438 ALA 439 GLU 440 ILE
441 ILE 442 VAL 443 ALA 444 LYS 445 ASN
446 ARG 447 ASN 448 GLY 449 ALA 450 THR
451 GLY 452 THR 453 VAL 454 TYR 455 THR
456 ARG 457 PHE 458 ASN 459 ALA 460 PRO
461 PHE 462 THR 463 ARG 464 TYR 465 GLU
466 ASP 467 MET 468 PRO 469 ILE 470 ASP
471 SER 472 HIS 473 LEU 474 GLU 475 GLU
476 GLY 477 GLN 478 GLU 479 THR 480 LYS
481 VAL 482 ASP 483 TYR 484 ASP 485 ILE
486 VAL 487 THR 488 THR
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
#############
# Ligands #
#############
save_MG
_Saveframe_category ligand
_Mol_type "non-polymer (NON-POLYMER)"
_Name_common "entity_MG (MAGNESIUM ION)"
_BMRB_code MG
_PDB_code MG
_Molecular_mass 24.305
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
MG MG MG . 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
save_ADP
_Saveframe_category ligand
_Mol_type "non-polymer (NON-POLYMER)"
_Name_common "entity_ADP (ADENOSINE-5'-DIPHOSPHATE)"
_BMRB_code ADP
_PDB_code ADP
_Molecular_mass 427.201
_Mol_charge 0
_Mol_paramagnetic .
_Mol_aromatic yes
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
PB PB P . 0 . ?
O1B O1B O . 0 . ?
O2B O2B O . 0 . ?
O3B O3B O . 0 . ?
PA PA P . 0 . ?
O1A O1A O . 0 . ?
O2A O2A O . 0 . ?
O3A O3A O . 0 . ?
O5' O5' O . 0 . ?
C5' C5' C . 0 . ?
C4' C4' C . 0 . ?
O4' O4' O . 0 . ?
C3' C3' C . 0 . ?
O3' O3' O . 0 . ?
C2' C2' C . 0 . ?
O2' O2' O . 0 . ?
C1' C1' C . 0 . ?
N9 N9 N . 0 . ?
C8 C8 C . 0 . ?
N7 N7 N . 0 . ?
C5 C5 C . 0 . ?
C6 C6 C . 0 . ?
N6 N6 N . 0 . ?
N1 N1 N . 0 . ?
C2 C2 C . 0 . ?
N3 N3 N . 0 . ?
C4 C4 C . 0 . ?
HOB2 HOB2 H . 0 . ?
HOB3 HOB3 H . 0 . ?
HOA2 HOA2 H . 0 . ?
H5'1 H5'1 H . 0 . ?
H5'2 H5'2 H . 0 . ?
H4' H4' H . 0 . ?
H3' H3' H . 0 . ?
HO3' HO3' H . 0 . ?
H2' H2' H . 0 . ?
HO2' HO2' H . 0 . ?
H1' H1' H . 0 . ?
H8 H8 H . 0 . ?
HN61 HN61 H . 0 . ?
HN62 HN62 H . 0 . ?
H2 H2 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
DOUB PB O1B ? ?
SING PB O2B ? ?
SING PB O3B ? ?
SING PB O3A ? ?
SING O2B HOB2 ? ?
SING O3B HOB3 ? ?
DOUB PA O1A ? ?
SING PA O2A ? ?
SING PA O3A ? ?
SING PA O5' ? ?
SING O2A HOA2 ? ?
SING O5' C5' ? ?
SING C5' C4' ? ?
SING C5' H5'1 ? ?
SING C5' H5'2 ? ?
SING C4' O4' ? ?
SING C4' C3' ? ?
SING C4' H4' ? ?
SING O4' C1' ? ?
SING C3' O3' ? ?
SING C3' C2' ? ?
SING C3' H3' ? ?
SING O3' HO3' ? ?
SING C2' O2' ? ?
SING C2' C1' ? ?
SING C2' H2' ? ?
SING O2' HO2' ? ?
SING C1' N9 ? ?
SING C1' H1' ? ?
SING N9 C8 ? ?
SING N9 C4 ? ?
DOUB C8 N7 ? ?
SING C8 H8 ? ?
SING N7 C5 ? ?
SING C5 C6 ? ?
DOUB C5 C4 ? ?
SING C6 N6 ? ?
DOUB C6 N1 ? ?
SING N6 HN61 ? ?
SING N6 HN62 ? ?
SING N1 C2 ? ?
DOUB C2 N3 ? ?
SING C2 H2 ? ?
SING N3 C4 ? ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
save_ALF
_Saveframe_category ligand
_Mol_type "non-polymer (NON-POLYMER)"
_Name_common "entity_ALF (TETRAFLUOROALUMINATE ION)"
_BMRB_code ALF
_PDB_code ALF
_Molecular_mass 102.975
_Mol_charge -1
_Mol_paramagnetic .
_Mol_aromatic no
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
AL AL AL . -1 . ?
F1 F1 F . 0 . ?
F2 F2 F . 0 . ?
F3 F3 F . 0 . ?
F4 F4 F . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING AL F1 ? ?
SING AL F2 ? ?
SING AL F3 ? ?
SING AL F4 ? ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$DnaB_helicase 'E. coli' 562 Bacteria . Escherichia coli
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
$DnaB_helicase 'recombinant technology' . Escherichia coli . pACYC-duet1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solid
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$DnaB_helicase 0.3 mM '[U-100% 13C; U-100% 15N]'
$entity_MG 5 mM 'natural abundance'
$entity_ADP 5 mM 'natural abundance'
$entity_ALF 5 mM 'natural abundance'
(dT)20 1 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 3.5
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 500
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 850
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_NCACB_1
_Saveframe_category NMR_applied_experiment
_Experiment_name NCACB
_Sample_label $sample_1
save_
save_NCACX_2
_Saveframe_category NMR_applied_experiment
_Experiment_name NCACX
_Sample_label $sample_1
save_
save_NCOCX_3
_Saveframe_category NMR_applied_experiment
_Experiment_name NCOCX
_Sample_label $sample_1
save_
save_CANCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name CANCO
_Sample_label $sample_1
save_
save_NcoCACB_5
_Saveframe_category NMR_applied_experiment
_Experiment_name NcoCACB
_Sample_label $sample_1
save_
save_CANcoCA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name CANcoCA
_Sample_label $sample_1
save_
save_hNCAH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name hNCAH
_Sample_label $sample_1
save_
save_hCANH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name hCANH
_Sample_label $sample_1
save_
save_hNcoCAH_9
_Saveframe_category NMR_applied_experiment
_Experiment_name hNcoCAH
_Sample_label $sample_1
save_
save_hCAcoNH_10
_Saveframe_category NMR_applied_experiment
_Experiment_name hCAcoNH
_Sample_label $sample_1
save_
save_NCX_11
_Saveframe_category NMR_applied_experiment
_Experiment_name NCX
_Sample_label $sample_1
save_
save_NHHP_12
_Saveframe_category NMR_applied_experiment
_Experiment_name NHHP
_Sample_label $sample_1
save_
save_CHHP_13
_Saveframe_category NMR_applied_experiment
_Experiment_name CHHP
_Sample_label $sample_1
save_
save_NCC_14
_Saveframe_category NMR_applied_experiment
_Experiment_name NCC
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.5 . pH
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 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na 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
NCACB
NCACX
NCOCX
CANCO
NcoCACB
CANcoCA
hNCAH
hCANH
hNcoCAH
hCAcoNH
NCX
NHHP
CHHP
NCC
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'DnaB helicase'
_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
1 177 177 THR H H 8.305 0.000 1
2 177 177 THR C C 176.267 0.057 1
3 177 177 THR CA C 63.009 0.095 1
4 177 177 THR CB C 69.517 0.035 1
5 177 177 THR CG2 C 21.880 0.000 1
6 177 177 THR N N 116.701 0.139 1
7 178 178 GLY C C 171.604 0.010 1
8 178 178 GLY CA C 43.136 0.059 1
9 178 178 GLY N N 110.944 0.096 1
10 179 179 ILE H H 8.356 0.000 1
11 179 179 ILE HA H 4.097 0.000 1
12 179 179 ILE C C 173.869 0.024 1
13 179 179 ILE CA C 59.415 0.120 1
14 179 179 ILE CB C 40.358 0.001 1
15 179 179 ILE CG1 C 25.147 0.000 1
16 179 179 ILE CG2 C 16.114 0.000 1
17 179 179 ILE CD1 C 14.786 0.000 1
18 179 179 ILE N N 122.736 0.158 1
19 180 180 PRO C C 177.015 0.035 1
20 180 180 PRO CA C 62.611 0.117 1
21 180 180 PRO CB C 32.773 0.040 1
22 180 180 PRO CG C 27.576 0.001 1
23 180 180 PRO CD C 51.457 0.041 1
24 180 180 PRO N N 138.760 0.191 1
25 181 181 THR H H 10.086 0.000 1
26 181 181 THR HA H 4.003 0.014 1
27 181 181 THR C C 174.950 0.024 1
28 181 181 THR CA C 63.611 0.114 1
29 181 181 THR CB C 71.913 0.022 1
30 181 181 THR CG2 C 19.643 0.002 1
31 181 181 THR N N 113.649 0.233 1
32 182 182 GLY H H 8.173 0.006 1
33 182 182 GLY HA2 H 4.111 0.009 2
34 182 182 GLY HA3 H 3.205 0.009 2
35 182 182 GLY C C 173.556 0.134 1
36 182 182 GLY CA C 44.317 0.062 1
37 182 182 GLY N N 106.646 0.069 1
38 183 183 PHE H H 7.597 0.021 1
39 183 183 PHE HA H 4.732 0.001 1
40 183 183 PHE C C 176.345 0.017 1
41 183 183 PHE CA C 55.630 0.103 1
42 183 183 PHE CB C 40.255 0.014 1
43 183 183 PHE CG C 137.985 0.000 1
44 183 183 PHE N N 118.498 0.243 1
45 184 184 VAL H H 9.803 0.005 1
46 184 184 VAL HA H 3.683 0.009 1
47 184 184 VAL C C 178.978 0.019 1
48 184 184 VAL CA C 67.197 0.103 1
49 184 184 VAL CB C 31.786 0.095 1
50 184 184 VAL CG1 C 20.983 0.012 2
51 184 184 VAL CG2 C 22.485 0.016 2
52 184 184 VAL N N 129.395 0.068 1
53 185 185 GLN H H 10.232 0.005 1
54 185 185 GLN C C 179.164 0.000 1
55 185 185 GLN CA C 57.781 0.168 1
56 185 185 GLN CB C 28.938 0.000 1
57 185 185 GLN CG C 32.480 0.000 1
58 185 185 GLN N N 117.934 0.166 1
59 187 187 ASP C C 177.335 0.029 1
60 187 187 ASP CA C 59.353 0.161 1
61 187 187 ASP CB C 41.534 0.007 1
62 188 188 ASN H H 8.034 0.006 1
63 188 188 ASN HA H 4.437 0.017 1
64 188 188 ASN C C 177.810 0.062 1
65 188 188 ASN CA C 56.091 0.044 1
66 188 188 ASN CB C 37.687 0.044 1
67 188 188 ASN N N 119.256 0.132 1
68 189 189 TYR H H 7.911 0.000 1
69 189 189 TYR HA H 4.250 0.007 1
70 189 189 TYR C C 179.969 0.060 1
71 189 189 TYR CA C 62.329 0.108 1
72 189 189 TYR CB C 39.717 0.062 1
73 189 189 TYR CD1 C 132.713 0.000 1
74 189 189 TYR CD2 C 132.713 0.000 1
75 189 189 TYR N N 115.375 0.155 1
76 190 190 THR H H 8.168 0.000 1
77 190 190 THR HA H 4.285 0.009 1
78 190 190 THR C C 175.079 0.023 1
79 190 190 THR CA C 63.604 0.080 1
80 190 190 THR CB C 71.473 0.017 1
81 190 190 THR CG2 C 21.881 0.012 1
82 190 190 THR N N 106.582 0.072 1
83 191 191 SER H H 8.856 0.007 1
84 191 191 SER HA H 4.067 0.004 1
85 191 191 SER C C 176.045 0.019 1
86 191 191 SER CA C 60.397 0.067 1
87 191 191 SER CB C 63.711 0.035 1
88 191 191 SER N N 118.027 0.186 1
89 192 192 GLY H H 8.312 0.000 1
90 192 192 GLY HA2 H 3.552 0.000 2
91 192 192 GLY HA3 H 3.077 0.022 2
92 192 192 GLY C C 171.159 0.029 1
93 192 192 GLY CA C 43.572 0.066 1
94 192 192 GLY N N 108.421 0.134 1
95 193 193 PHE H H 8.975 0.004 1
96 193 193 PHE HA H 5.347 0.026 1
97 193 193 PHE C C 177.007 0.020 1
98 193 193 PHE CA C 53.282 0.201 1
99 193 193 PHE CB C 38.145 0.055 1
100 193 193 PHE N N 115.260 0.094 1
101 194 194 ASN H H 9.919 0.031 1
102 194 194 ASN HA H 4.842 0.012 1
103 194 194 ASN C C 174.044 0.018 1
104 194 194 ASN CA C 53.968 0.123 1
105 194 194 ASN CB C 42.262 0.032 1
106 194 194 ASN CG C 177.020 0.015 1
107 194 194 ASN N N 127.111 0.262 1
108 195 195 LYS H H 8.554 0.004 1
109 195 195 LYS HA H 4.542 0.000 1
110 195 195 LYS C C 177.027 0.062 1
111 195 195 LYS CA C 59.109 0.122 1
112 195 195 LYS CB C 33.364 0.023 1
113 195 195 LYS CG C 25.165 0.033 1
114 195 195 LYS N N 119.945 0.120 1
115 196 196 GLY H H 6.446 0.000 1
116 196 196 GLY HA2 H 4.162 0.011 2
117 196 196 GLY HA3 H 3.244 0.029 2
118 196 196 GLY C C 172.574 0.015 1
119 196 196 GLY CA C 45.410 0.068 1
120 196 196 GLY N N 108.937 0.173 1
121 197 197 SER H H 7.337 0.007 1
122 197 197 SER HA H 4.575 0.003 1
123 197 197 SER C C 171.422 0.012 1
124 197 197 SER CA C 58.866 0.076 1
125 197 197 SER CB C 65.330 0.020 1
126 197 197 SER N N 115.233 0.081 1
127 198 198 LEU H H 8.191 0.000 1
128 198 198 LEU HA H 5.251 0.006 1
129 198 198 LEU C C 175.015 0.037 1
130 198 198 LEU CA C 53.639 0.085 1
131 198 198 LEU CB C 44.791 0.046 1
132 198 198 LEU CG C 28.288 0.004 1
133 198 198 LEU CD1 C 26.711 0.000 2
134 198 198 LEU CD2 C 23.119 0.021 2
135 198 198 LEU N N 123.942 0.081 1
136 199 199 VAL H H 9.280 0.012 1
137 199 199 VAL HA H 4.758 0.005 1
138 199 199 VAL C C 172.927 0.026 1
139 199 199 VAL CA C 60.129 0.100 1
140 199 199 VAL CB C 33.136 0.044 1
141 199 199 VAL CG1 C 19.726 0.023 1
142 199 199 VAL N N 130.244 0.099 1
143 200 200 ILE H H 8.773 0.008 1
144 200 200 ILE HA H 5.478 0.003 1
145 200 200 ILE C C 175.449 0.055 1
146 200 200 ILE CA C 55.332 0.079 1
147 200 200 ILE CB C 38.416 0.034 1
148 200 200 ILE CG1 C 27.768 0.000 1
149 200 200 ILE CG2 C 19.671 0.001 1
150 200 200 ILE CD1 C 10.012 0.000 1
151 200 200 ILE N N 127.634 0.075 1
152 201 201 ILE H H 8.230 0.015 1
153 201 201 ILE HA H 5.172 0.004 1
154 201 201 ILE C C 175.143 0.043 1
155 201 201 ILE CA C 59.997 0.077 1
156 201 201 ILE CB C 40.057 0.013 1
157 201 201 ILE CG1 C 27.119 0.079 1
158 201 201 ILE CG2 C 16.524 0.022 1
159 201 201 ILE CD1 C 14.240 0.032 1
160 201 201 ILE N N 125.469 0.121 1
161 202 202 GLY H H 9.802 0.006 1
162 202 202 GLY HA2 H 6.097 0.000 2
163 202 202 GLY HA3 H 3.327 0.013 2
164 202 202 GLY C C 171.945 0.017 1
165 202 202 GLY CA C 44.712 0.102 1
166 202 202 GLY N N 112.395 0.120 1
167 203 203 ALA H H 7.657 0.021 1
168 203 203 ALA HA H 4.601 0.002 1
169 203 203 ALA C C 176.628 0.055 1
170 203 203 ALA CA C 51.636 0.051 1
171 203 203 ALA CB C 24.544 0.010 1
172 203 203 ALA N N 118.972 0.112 1
173 204 204 ARG H H 8.345 0.004 1
174 204 204 ARG C C 172.967 0.029 1
175 204 204 ARG CA C 52.784 0.097 1
176 204 204 ARG CB C 26.677 0.000 1
177 204 204 ARG N N 117.986 0.237 1
178 205 205 PRO HA H 4.805 0.000 1
179 205 205 PRO C C 177.464 0.010 1
180 205 205 PRO CA C 63.923 0.067 1
181 205 205 PRO CB C 32.486 0.034 1
182 205 205 PRO CD C 50.810 0.000 1
183 205 205 PRO N N 131.827 0.110 1
184 206 206 SER H H 9.433 0.005 1
185 206 206 SER HA H 4.558 0.009 1
186 206 206 SER C C 175.667 0.064 1
187 206 206 SER CA C 60.229 0.168 1
188 206 206 SER CB C 68.419 0.146 1
189 206 206 SER N N 121.089 0.136 1
190 207 207 MET H H 7.450 0.019 1
191 207 207 MET HA H 4.513 0.003 1
192 207 207 MET C C 174.809 0.076 1
193 207 207 MET CA C 54.498 0.063 1
194 207 207 MET CB C 33.238 0.152 1
195 207 207 MET N N 115.641 0.117 1
196 208 208 GLY H H 8.196 0.026 1
197 208 208 GLY C C 174.081 0.016 1
198 208 208 GLY CA C 45.149 0.191 1
199 208 208 GLY N N 104.824 0.272 1
200 209 209 LYS H H 11.047 0.033 1
201 209 209 LYS HA H 3.774 0.003 1
202 209 209 LYS HZ H 6.929 0.000 1
203 209 209 LYS C C 178.383 0.018 1
204 209 209 LYS CA C 60.792 0.150 1
205 209 209 LYS CB C 29.479 0.066 1
206 209 209 LYS CG C 24.491 0.057 1
207 209 209 LYS CD C 28.754 0.029 1
208 209 209 LYS CE C 38.959 0.194 1
209 209 209 LYS N N 126.923 0.120 1
210 209 209 LYS NZ N 30.977 0.099 1
211 210 210 THR H H 9.695 0.010 1
212 210 210 THR HA H 4.399 0.015 1
213 210 210 THR C C 178.155 0.013 1
214 210 210 THR CA C 67.467 0.078 1
215 210 210 THR CB C 67.804 0.104 1
216 210 210 THR CG2 C 22.409 0.008 1
217 210 210 THR N N 118.747 0.063 1
218 211 211 SER H H 7.723 0.016 1
219 211 211 SER HA H 4.683 0.000 1
220 211 211 SER C C 172.981 0.017 1
221 211 211 SER CA C 63.485 0.086 1
222 211 211 SER CB C 62.581 0.080 1
223 211 211 SER N N 122.153 0.055 1
224 212 212 LEU C C 179.051 0.037 1
225 212 212 LEU CA C 57.202 0.097 1
226 212 212 LEU CB C 41.521 0.050 1
227 212 212 LEU CD1 C 24.646 0.053 2
228 212 212 LEU CD2 C 26.410 0.000 2
229 212 212 LEU N N 122.610 0.092 1
230 213 213 MET H H 9.031 0.026 1
231 213 213 MET HA H 3.793 0.043 1
232 213 213 MET C C 177.516 0.019 1
233 213 213 MET CA C 59.800 0.054 1
234 213 213 MET CB C 33.418 0.030 1
235 213 213 MET CG C 31.976 0.009 1
236 213 213 MET CE C 18.269 0.000 1
237 213 213 MET N N 116.362 0.245 1
238 214 214 MET H H 7.832 0.007 1
239 214 214 MET HA H 4.615 0.000 1
240 214 214 MET C C 178.664 0.088 1
241 214 214 MET CA C 55.290 0.095 1
242 214 214 MET CB C 27.310 0.033 1
243 214 214 MET CG C 32.583 0.000 1
244 214 214 MET N N 113.092 0.150 1
245 215 215 ASN H H 8.383 0.002 1
246 215 215 ASN HA H 4.448 0.003 1
247 215 215 ASN C C 179.103 0.016 1
248 215 215 ASN CA C 57.375 0.112 1
249 215 215 ASN CB C 40.147 0.098 1
250 215 215 ASN N N 120.675 0.190 1
251 216 216 MET H H 8.516 0.025 1
252 216 216 MET HA H 4.292 0.000 1
253 216 216 MET C C 179.463 0.052 1
254 216 216 MET CA C 59.926 0.096 1
255 216 216 MET CB C 32.677 0.007 1
256 216 216 MET CG C 34.265 0.008 1
257 216 216 MET CE C 18.955 0.000 1
258 216 216 MET N N 121.451 0.244 1
259 217 217 VAL H H 8.887 0.005 1
260 217 217 VAL HA H 3.306 0.007 1
261 217 217 VAL C C 177.517 0.039 1
262 217 217 VAL CA C 66.507 0.103 1
263 217 217 VAL CB C 31.275 0.034 1
264 217 217 VAL CG1 C 23.105 0.007 2
265 217 217 VAL CG2 C 22.010 0.015 2
266 217 217 VAL N N 124.307 0.106 1
267 218 218 LEU H H 7.944 0.041 1
268 218 218 LEU HA H 4.030 0.019 1
269 218 218 LEU C C 179.623 0.018 1
270 218 218 LEU CA C 58.533 0.123 1
271 218 218 LEU CB C 40.473 0.055 1
272 218 218 LEU CG C 26.949 0.017 1
273 218 218 LEU CD1 C 25.748 0.000 1
274 218 218 LEU N N 117.722 0.256 1
275 219 219 SER H H 7.963 0.002 1
276 219 219 SER HA H 4.187 0.014 1
277 219 219 SER C C 176.887 0.080 1
278 219 219 SER CA C 62.152 0.152 1
279 219 219 SER CB C 62.746 0.000 1
280 219 219 SER N N 114.913 0.185 1
281 220 220 ALA H H 8.206 0.016 1
282 220 220 ALA HA H 4.075 0.007 1
283 220 220 ALA C C 181.136 0.033 1
284 220 220 ALA CA C 55.259 0.078 1
285 220 220 ALA CB C 18.223 0.014 1
286 220 220 ALA N N 123.690 0.161 1
287 221 221 LEU H H 8.156 0.000 1
288 221 221 LEU CA C 59.349 0.000 1
289 221 221 LEU N N 118.302 0.087 1
290 226 226 GLY H H 7.853 0.000 1
291 226 226 GLY HA2 H 3.219 0.007 1
292 226 226 GLY C C 174.396 0.030 1
293 226 226 GLY CA C 44.689 0.147 1
294 226 226 GLY N N 106.372 0.173 1
295 227 227 VAL H H 8.137 0.000 1
296 227 227 VAL HA H 4.772 0.008 1
297 227 227 VAL C C 173.399 0.032 1
298 227 227 VAL CA C 61.131 0.100 1
299 227 227 VAL CB C 36.319 0.042 1
300 227 227 VAL CG1 C 23.476 0.009 1
301 227 227 VAL N N 124.379 0.132 1
302 228 228 ALA H H 8.083 0.004 1
303 228 228 ALA HA H 5.362 0.000 1
304 228 228 ALA C C 176.032 0.021 1
305 228 228 ALA CA C 49.532 0.059 1
306 228 228 ALA CB C 22.165 0.010 1
307 228 228 ALA N N 127.383 0.107 1
308 229 229 VAL H H 8.903 0.003 1
309 229 229 VAL HA H 4.912 0.011 1
310 229 229 VAL C C 174.666 0.038 1
311 229 229 VAL CA C 61.245 0.066 1
312 229 229 VAL CB C 35.170 0.015 1
313 229 229 VAL CG1 C 22.501 0.022 2
314 229 229 VAL CG2 C 20.695 0.001 2
315 229 229 VAL N N 121.518 0.068 1
316 230 230 PHE H H 9.683 0.005 1
317 230 230 PHE HA H 5.397 0.009 1
318 230 230 PHE C C 173.878 0.050 1
319 230 230 PHE CA C 56.912 0.080 1
320 230 230 PHE CB C 39.599 0.051 1
321 230 230 PHE CZ C 129.375 0.000 1
322 230 230 PHE N N 126.541 0.121 1
323 231 231 SER CA C 57.951 0.037 1
324 231 231 SER CB C 59.710 0.000 1
325 231 231 SER N N 118.514 0.295 1
326 235 235 SER C C 174.542 0.039 1
327 235 235 SER CA C 57.308 0.072 1
328 235 235 SER CB C 65.301 0.026 1
329 235 235 SER N N 120.449 0.031 1
330 236 236 ALA H H 10.175 0.000 1
331 236 236 ALA HA H 3.297 0.003 1
332 236 236 ALA C C 178.340 0.032 1
333 236 236 ALA CA C 55.049 0.073 1
334 236 236 ALA CB C 18.259 0.012 1
335 236 236 ALA N N 123.709 0.200 1
336 237 237 GLU H H 9.868 0.015 1
337 237 237 GLU HA H 3.386 0.000 1
338 237 237 GLU C C 178.289 0.022 1
339 237 237 GLU CA C 62.235 0.073 1
340 237 237 GLU CB C 28.723 0.066 1
341 237 237 GLU CG C 37.492 0.076 1
342 237 237 GLU CD C 184.003 0.000 1
343 237 237 GLU N N 116.985 0.117 1
344 238 238 GLN CA C 59.612 0.067 1
345 238 238 GLN CB C 29.170 0.000 1
346 238 238 GLN CG C 35.362 0.000 1
347 238 238 GLN N N 117.148 0.157 1
348 247 247 LEU C C 179.436 0.049 1
349 247 247 LEU CA C 57.928 0.056 1
350 247 247 LEU CB C 43.056 0.042 1
351 247 247 LEU CD1 C 22.679 0.044 1
352 247 247 LEU N N 116.781 0.125 1
353 248 248 THR H H 8.106 0.000 1
354 248 248 THR HA H 4.123 0.000 1
355 248 248 THR C C 175.294 0.070 1
356 248 248 THR CA C 62.186 0.091 1
357 248 248 THR CB C 70.679 0.040 1
358 248 248 THR CG2 C 23.116 0.005 1
359 248 248 THR N N 106.942 0.158 1
360 249 249 SER H H 7.599 0.000 1
361 249 249 SER C C 173.025 0.031 1
362 249 249 SER CA C 58.470 0.081 1
363 249 249 SER CB C 60.894 0.014 1
364 249 249 SER N N 114.923 0.174 1
365 250 250 ILE C C 175.853 0.073 1
366 250 250 ILE CA C 60.246 0.098 1
367 250 250 ILE CB C 41.050 0.061 1
368 250 250 ILE CG1 C 27.237 0.057 1
369 250 250 ILE CG2 C 17.924 0.062 1
370 250 250 ILE CD1 C 13.719 0.000 1
371 250 250 ILE N N 121.598 0.144 1
372 251 251 ASN CA C 53.923 0.032 1
373 251 251 ASN CB C 38.727 0.015 1
374 251 251 ASN N N 125.999 0.134 1
375 257 257 SER C C 174.826 0.090 1
376 257 257 SER CA C 59.070 0.017 1
377 257 257 SER CB C 64.764 0.028 1
378 257 257 SER N N 108.510 0.149 1
379 258 258 GLY C C 174.415 0.007 1
380 258 258 GLY CA C 46.708 0.029 1
381 258 258 GLY N N 109.655 0.138 1
382 259 259 ARG C C 173.360 0.009 1
383 259 259 ARG CA C 55.273 0.111 1
384 259 259 ARG CB C 28.497 0.126 1
385 259 259 ARG CG C 27.529 0.000 1
386 259 259 ARG N N 124.761 0.194 1
387 260 260 LEU C C 176.814 0.019 1
388 260 260 LEU CA C 53.006 0.036 1
389 260 260 LEU CB C 43.719 0.179 1
390 260 260 LEU CG C 27.997 0.116 1
391 260 260 LEU N N 122.180 0.127 1
392 261 261 ASP H H 9.027 0.000 1
393 261 261 ASP HA H 4.860 0.025 1
394 261 261 ASP C C 176.074 0.009 1
395 261 261 ASP CA C 52.136 0.051 1
396 261 261 ASP CB C 40.670 0.040 1
397 261 261 ASP CG C 178.620 0.000 1
398 261 261 ASP N N 121.950 0.157 1
399 262 262 ASP H H 8.349 0.000 1
400 262 262 ASP CA C 58.364 0.113 1
401 262 262 ASP CB C 41.197 0.030 1
402 262 262 ASP N N 117.383 0.163 1
403 263 263 ASP N N 120.886 0.000 1
404 271 271 CYS CA C 63.935 0.000 1
405 271 271 CYS CB C 26.918 0.000 1
406 271 271 CYS N N 119.496 0.000 1
407 275 275 LEU HA H 4.300 0.000 1
408 275 275 LEU C C 177.781 0.054 1
409 275 275 LEU CB C 42.112 0.008 1
410 275 275 LEU CG C 26.661 0.000 1
411 276 276 SER H H 8.005 0.017 1
412 276 276 SER HA H 3.839 0.000 1
413 276 276 SER C C 173.707 0.011 1
414 276 276 SER CA C 61.746 0.095 1
415 276 276 SER CB C 63.032 0.066 1
416 276 276 SER N N 111.088 0.226 1
417 277 277 GLN H H 6.905 0.036 1
418 277 277 GLN C C 176.804 0.058 1
419 277 277 GLN CA C 55.087 0.073 1
420 277 277 GLN CB C 29.519 0.038 1
421 277 277 GLN CD C 180.550 0.000 1
422 277 277 GLN N N 116.279 0.149 1
423 278 278 LYS H H 8.200 0.000 1
424 278 278 LYS HA H 4.360 0.021 1
425 278 278 LYS C C 176.087 0.060 1
426 278 278 LYS CA C 53.074 0.098 1
427 278 278 LYS CB C 32.993 0.043 1
428 278 278 LYS CG C 27.400 0.000 1
429 278 278 LYS CD C 23.412 0.000 1
430 278 278 LYS N N 117.700 0.129 1
431 279 279 LYS H H 8.922 0.019 1
432 279 279 LYS HA H 4.052 0.032 1
433 279 279 LYS C C 172.037 0.016 1
434 279 279 LYS CA C 53.978 0.106 1
435 279 279 LYS CB C 30.210 0.032 1
436 279 279 LYS CG C 24.356 0.000 1
437 279 279 LYS CE C 41.333 0.000 1
438 279 279 LYS N N 122.923 0.291 1
439 280 280 LEU H H 6.447 0.000 1
440 280 280 LEU HA H 4.754 0.000 1
441 280 280 LEU C C 172.997 0.074 1
442 280 280 LEU CA C 52.422 0.086 1
443 280 280 LEU CB C 43.515 0.069 1
444 280 280 LEU CG C 26.734 0.030 1
445 280 280 LEU CD1 C 25.193 0.000 2
446 280 280 LEU CD2 C 22.856 0.187 2
447 280 280 LEU N N 122.514 0.150 1
448 281 281 PHE C C 174.215 0.025 1
449 281 281 PHE CA C 55.861 0.117 1
450 281 281 PHE CB C 41.982 0.119 1
451 281 281 PHE N N 125.185 0.225 1
452 282 282 PHE H H 8.658 0.000 1
453 282 282 PHE C C 176.108 0.097 1
454 282 282 PHE CA C 57.141 0.173 1
455 282 282 PHE CB C 38.131 0.122 1
456 282 282 PHE CD1 C 131.855 0.000 1
457 282 282 PHE CD2 C 131.855 0.000 1
458 282 282 PHE N N 119.056 0.186 1
459 283 283 TYR CA C 55.723 0.116 1
460 283 283 TYR CG C 130.228 0.000 1
461 283 283 TYR N N 118.647 0.124 1
462 285 285 LYS H H 7.872 0.000 1
463 285 285 LYS HA H 3.975 0.000 1
464 285 285 LYS C C 177.437 0.025 1
465 285 285 LYS CA C 57.544 0.125 1
466 285 285 LYS CB C 32.443 0.032 1
467 285 285 LYS CD C 25.325 0.042 1
468 285 285 LYS N N 118.256 0.238 1
469 286 286 SER H H 7.569 0.005 1
470 286 286 SER HA H 4.194 0.002 1
471 286 286 SER C C 175.669 0.071 1
472 286 286 SER CA C 61.034 0.084 1
473 286 286 SER CB C 63.055 0.063 1
474 286 286 SER N N 111.702 0.196 1
475 287 287 TYR H H 7.428 0.027 1
476 287 287 TYR HA H 5.639 0.004 1
477 287 287 TYR CA C 56.964 0.090 1
478 287 287 TYR CB C 30.425 0.068 1
479 287 287 TYR CD1 C 131.742 0.000 1
480 287 287 TYR CD2 C 131.742 0.000 1
481 287 287 TYR N N 118.384 0.163 1
482 288 288 VAL N N 127.301 0.000 1
483 307 307 LEU H H 9.690 0.000 1
484 307 307 LEU HA H 3.840 0.000 1
485 307 307 LEU C C 176.057 0.041 1
486 307 307 LEU CA C 57.173 0.111 1
487 307 307 LEU CB C 41.336 0.000 1
488 307 307 LEU N N 119.068 0.111 1
489 308 308 GLY H H 9.629 0.048 1
490 308 308 GLY HA2 H 4.862 0.006 2
491 308 308 GLY HA3 H 3.672 0.017 2
492 308 308 GLY C C 171.886 0.027 1
493 308 308 GLY CA C 44.892 0.089 1
494 308 308 GLY N N 114.513 0.130 1
495 309 309 ILE H H 7.432 0.001 1
496 309 309 ILE HA H 4.712 0.004 1
497 309 309 ILE C C 170.626 0.024 1
498 309 309 ILE CA C 60.966 0.108 1
499 309 309 ILE CB C 37.906 0.014 1
500 309 309 ILE CG1 C 27.529 0.025 1
501 309 309 ILE CG2 C 16.726 0.028 1
502 309 309 ILE CD1 C 15.742 0.014 1
503 309 309 ILE N N 114.686 0.075 1
504 310 310 ALA H H 7.462 0.045 1
505 310 310 ALA HA H 6.003 0.006 1
506 310 310 ALA C C 173.795 0.066 1
507 310 310 ALA CA C 49.485 0.064 1
508 310 310 ALA CB C 23.313 0.033 1
509 310 310 ALA N N 125.131 0.121 1
510 311 311 PHE H H 8.952 0.015 1
511 311 311 PHE HA H 5.934 0.002 1
512 311 311 PHE C C 176.324 0.040 1
513 311 311 PHE CA C 55.835 0.136 1
514 311 311 PHE CB C 44.420 0.049 1
515 311 311 PHE CD1 C 131.921 0.000 1
516 311 311 PHE CD2 C 131.921 0.000 1
517 311 311 PHE N N 118.111 0.067 1
518 312 312 ILE H H 9.322 0.006 1
519 312 312 ILE HA H 5.023 0.000 1
520 312 312 ILE C C 179.252 0.000 1
521 312 312 ILE CA C 61.019 0.122 1
522 312 312 ILE CB C 42.469 0.020 1
523 312 312 ILE CG1 C 27.844 0.034 1
524 312 312 ILE CG2 C 16.164 0.001 1
525 312 312 ILE N N 120.075 0.135 1
526 313 313 ASP H H 9.242 0.001 1
527 313 313 ASP HA H 5.458 0.000 1
528 313 313 ASP C C 174.533 0.051 1
529 313 313 ASP CA C 48.373 0.075 1
530 313 313 ASP CB C 42.474 0.053 1
531 313 313 ASP CG C 180.284 0.053 1
532 313 313 ASP N N 126.787 0.070 1
533 314 314 TYR H H 5.962 0.007 1
534 314 314 TYR HA H 5.062 0.029 1
535 314 314 TYR C C 175.347 0.028 1
536 314 314 TYR CA C 57.678 0.094 1
537 314 314 TYR CB C 39.751 0.020 1
538 314 314 TYR CG C 128.966 0.245 1
539 314 314 TYR N N 112.466 0.110 1
540 315 315 LEU H H 9.409 0.001 1
541 315 315 LEU HA H 3.771 0.015 1
542 315 315 LEU C C 178.572 0.134 1
543 315 315 LEU CA C 61.753 0.071 1
544 315 315 LEU CB C 44.933 0.026 1
545 315 315 LEU CG C 28.810 0.024 1
546 315 315 LEU CD1 C 26.826 0.000 2
547 315 315 LEU CD2 C 25.943 0.000 2
548 315 315 LEU N N 120.303 0.172 1
549 316 316 GLN H H 8.042 0.000 1
550 316 316 GLN C C 174.983 0.061 1
551 316 316 GLN CA C 58.932 0.062 1
552 316 316 GLN CB C 26.378 0.041 1
553 316 316 GLN CG C 33.412 0.027 1
554 316 316 GLN CD C 181.781 0.009 1
555 316 316 GLN N N 109.439 0.103 1
556 317 317 LEU N N 116.160 0.080 1
557 330 330 GLN C C 177.390 0.004 1
558 331 331 ILE C C 177.499 0.078 1
559 331 331 ILE CA C 57.293 0.051 1
560 331 331 ILE CB C 41.877 0.081 1
561 331 331 ILE CG1 C 26.656 0.013 1
562 331 331 ILE CD1 C 16.943 0.000 1
563 331 331 ILE N N 125.813 0.099 1
564 332 332 ALA H H 8.220 0.000 1
565 332 332 ALA HA H 3.940 0.005 1
566 332 332 ALA C C 181.008 0.016 1
567 332 332 ALA CA C 55.905 0.067 1
568 332 332 ALA CB C 16.983 0.031 1
569 332 332 ALA N N 123.814 0.171 1
570 333 333 GLU H H 7.643 0.018 1
571 333 333 GLU C C 179.013 0.000 1
572 333 333 GLU CA C 59.141 0.093 1
573 333 333 GLU CB C 30.121 0.022 1
574 333 333 GLU CD C 181.099 0.032 1
575 333 333 GLU N N 115.573 0.098 1
576 334 334 ILE H H 7.604 0.000 1
577 334 334 ILE HA H 3.470 0.000 1
578 334 334 ILE C C 176.788 0.032 1
579 334 334 ILE CA C 66.135 0.066 1
580 334 334 ILE CB C 38.646 0.001 1
581 334 334 ILE CG2 C 18.892 0.017 1
582 334 334 ILE CD1 C 14.144 0.008 1
583 334 334 ILE N N 119.479 0.142 1
584 335 335 SER H H 8.332 0.004 1
585 335 335 SER HA H 3.759 0.002 1
586 335 335 SER C C 175.769 0.023 1
587 335 335 SER CA C 62.839 0.068 1
588 335 335 SER N N 112.149 0.176 1
589 336 336 ARG CA C 58.375 0.037 1
590 336 336 ARG CB C 27.723 0.017 1
591 336 336 ARG N N 118.736 0.259 1
592 343 343 ARG CA C 56.029 0.000 1
593 344 344 GLU H H 7.643 0.018 1
594 344 344 GLU HA H 3.989 0.003 1
595 344 344 GLU C C 178.798 0.044 1
596 344 344 GLU CA C 59.282 0.102 1
597 344 344 GLU CB C 30.229 0.068 1
598 344 344 GLU N N 115.679 0.037 1
599 345 345 LEU H H 8.599 0.011 1
600 345 345 LEU HA H 4.221 0.011 1
601 345 345 LEU C C 175.532 0.072 1
602 345 345 LEU CA C 54.659 0.074 1
603 345 345 LEU CB C 43.109 0.035 1
604 345 345 LEU CG C 28.047 0.000 1
605 345 345 LEU CD1 C 26.644 0.023 2
606 345 345 LEU CD2 C 22.426 0.025 2
607 345 345 LEU N N 115.256 0.109 1
608 346 346 GLU H H 7.827 0.002 1
609 346 346 GLU HA H 3.760 0.005 1
610 346 346 GLU C C 174.738 0.020 1
611 346 346 GLU CA C 56.493 0.082 1
612 346 346 GLU CB C 26.928 0.016 1
613 346 346 GLU CD C 184.795 0.000 1
614 346 346 GLU N N 115.525 0.112 1
615 347 347 ILE H H 8.042 0.001 1
616 347 347 ILE C C 173.102 0.025 1
617 347 347 ILE CA C 58.749 0.081 1
618 347 347 ILE CB C 40.953 0.012 1
619 347 347 ILE CG1 C 23.655 0.000 1
620 347 347 ILE CG2 C 17.770 0.005 1
621 347 347 ILE CD1 C 13.307 0.000 1
622 347 347 ILE N N 109.105 0.158 1
623 348 348 PRO HA H 5.258 0.000 1
624 348 348 PRO C C 176.050 0.023 1
625 348 348 PRO CA C 61.720 0.077 1
626 348 348 PRO CB C 30.967 0.007 1
627 348 348 PRO CG C 26.711 0.000 1
628 348 348 PRO CD C 49.407 0.110 1
629 348 348 PRO N N 134.217 0.102 1
630 349 349 ILE H H 8.318 0.001 1
631 349 349 ILE HA H 4.427 0.003 1
632 349 349 ILE C C 172.650 0.026 1
633 349 349 ILE CA C 60.313 0.055 1
634 349 349 ILE CB C 39.777 0.033 1
635 349 349 ILE CG1 C 27.864 0.000 1
636 349 349 ILE CG2 C 16.244 0.000 1
637 349 349 ILE CD1 C 12.272 0.002 1
638 349 349 ILE N N 119.584 0.100 1
639 350 350 ILE H H 8.728 0.004 1
640 350 350 ILE HA H 4.908 0.014 1
641 350 350 ILE C C 174.666 0.010 1
642 350 350 ILE CA C 57.602 0.104 1
643 350 350 ILE CB C 35.789 0.031 1
644 350 350 ILE CG1 C 28.734 0.031 1
645 350 350 ILE CG2 C 19.552 0.014 1
646 350 350 ILE CD1 C 12.347 0.000 1
647 350 350 ILE N N 129.230 0.083 1
648 351 351 ALA H H 9.642 0.002 1
649 351 351 ALA HA H 5.272 0.014 1
650 351 351 ALA C C 175.035 0.042 1
651 351 351 ALA CA C 49.582 0.053 1
652 351 351 ALA CB C 20.653 0.016 1
653 351 351 ALA N N 128.359 0.090 1
654 352 352 LEU H H 8.820 0.029 1
655 352 352 LEU HA H 5.486 0.004 1
656 352 352 LEU C C 177.243 0.024 1
657 352 352 LEU CA C 54.528 0.069 1
658 352 352 LEU CB C 42.684 0.017 1
659 352 352 LEU CG C 26.311 0.000 1
660 352 352 LEU CD1 C 20.665 0.039 2
661 352 352 LEU CD2 C 23.741 0.000 2
662 352 352 LEU N N 126.353 0.123 1
663 353 353 VAL H H 9.486 0.002 1
664 353 353 VAL HA H 5.391 0.001 1
665 353 353 VAL C C 175.046 0.076 1
666 353 353 VAL CA C 58.699 0.085 1
667 353 353 VAL CB C 36.441 0.025 1
668 353 353 VAL CG1 C 23.914 0.005 2
669 353 353 VAL CG2 C 20.628 0.017 2
670 353 353 VAL N N 111.950 0.083 1
671 354 354 GLN H H 8.461 0.000 1
672 354 354 GLN C C 176.819 0.023 1
673 354 354 GLN CA C 54.234 0.089 1
674 354 354 GLN CB C 27.757 0.093 1
675 354 354 GLN CG C 31.345 0.000 1
676 354 354 GLN N N 117.022 0.161 1
677 355 355 LEU C C 177.470 0.030 1
678 355 355 LEU CA C 52.984 0.102 1
679 355 355 LEU CB C 42.495 0.000 1
680 355 355 LEU CG C 27.596 0.037 1
681 355 355 LEU N N 119.655 0.232 1
682 356 356 ASN C C 176.740 0.162 1
683 356 356 ASN CA C 51.913 0.091 1
684 356 356 ASN CB C 37.834 0.024 1
685 356 356 ASN N N 117.487 0.118 1
686 357 357 ARG C C 177.696 0.027 1
687 357 357 ARG CA C 57.457 0.153 1
688 357 357 ARG CB C 30.945 0.074 1
689 357 357 ARG CG C 27.432 0.000 1
690 357 357 ARG CD C 44.667 0.083 1
691 357 357 ARG CZ C 161.245 0.022 1
692 357 357 ARG N N 116.127 0.223 1
693 357 357 ARG NE N 81.921 0.226 1
694 357 357 ARG NH1 N 69.232 0.096 1
695 357 357 ARG NH2 N 78.626 0.030 1
696 358 358 SER H H 8.666 0.000 1
697 358 358 SER HA H 3.980 0.020 1
698 358 358 SER C C 178.203 0.049 1
699 358 358 SER CA C 63.208 0.079 1
700 358 358 SER CB C 62.395 0.041 1
701 358 358 SER N N 119.710 0.226 1
702 359 359 LEU H H 8.772 0.000 1
703 359 359 LEU CA C 57.722 0.135 1
704 359 359 LEU CB C 42.002 0.040 1
705 359 359 LEU CG C 26.135 0.000 1
706 359 359 LEU CD1 C 22.804 0.000 2
707 359 359 LEU CD2 C 23.941 0.000 2
708 359 359 LEU N N 122.149 0.237 1
709 366 366 ARG C C 174.726 0.000 1
710 366 366 ARG CA C 54.494 0.000 1
711 367 367 PRO C C 174.364 0.038 1
712 367 367 PRO CA C 61.698 0.048 1
713 367 367 PRO N N 135.519 0.209 1
714 368 368 ILE C C 177.294 0.036 1
715 368 368 ILE CA C 59.404 0.063 1
716 368 368 ILE CB C 41.473 0.095 1
717 368 368 ILE CG1 C 25.403 0.015 1
718 368 368 ILE CG2 C 17.366 0.000 1
719 368 368 ILE CD1 C 14.083 0.000 1
720 368 368 ILE N N 115.064 0.131 1
721 369 369 LEU C C 176.179 0.057 1
722 369 369 LEU CA C 59.295 0.035 1
723 369 369 LEU CB C 41.102 0.023 1
724 369 369 LEU CG C 26.739 0.025 1
725 369 369 LEU CD1 C 25.297 0.010 1
726 369 369 LEU N N 119.019 0.200 1
727 370 370 SER H H 7.418 0.000 1
728 370 370 SER HA H 3.946 0.000 1
729 370 370 SER C C 173.765 0.015 1
730 370 370 SER CA C 58.486 0.141 1
731 370 370 SER CB C 62.415 0.017 1
732 370 370 SER N N 103.308 0.175 1
733 371 371 ASP H H 8.060 0.006 1
734 371 371 ASP HA H 4.599 0.007 1
735 371 371 ASP C C 176.328 0.046 1
736 371 371 ASP CA C 54.848 0.077 1
737 371 371 ASP CB C 42.192 0.067 1
738 371 371 ASP CG C 179.473 0.000 1
739 371 371 ASP N N 120.309 0.114 1
740 372 372 ILE H H 7.317 0.012 1
741 372 372 ILE HA H 3.649 0.017 1
742 372 372 ILE C C 176.126 0.067 1
743 372 372 ILE CA C 64.708 0.159 1
744 372 372 ILE CB C 37.713 0.238 1
745 372 372 ILE CG1 C 29.612 0.052 1
746 372 372 ILE CG2 C 19.085 0.004 1
747 372 372 ILE CD1 C 13.646 0.024 1
748 372 372 ILE N N 120.232 0.187 1
749 373 373 LYS H H 8.541 0.027 1
750 373 373 LYS HA H 4.283 0.000 1
751 373 373 LYS HZ H 7.639 0.000 1
752 373 373 LYS C C 178.311 0.093 1
753 373 373 LYS CA C 58.318 0.104 1
754 373 373 LYS CB C 33.375 0.079 1
755 373 373 LYS CG C 27.349 0.034 1
756 373 373 LYS CD C 29.564 0.000 1
757 373 373 LYS CE C 42.665 0.165 1
758 373 373 LYS N N 129.494 0.156 1
759 373 373 LYS NZ N 30.524 0.141 1
760 374 374 ASP H H 10.120 0.014 1
761 374 374 ASP HA H 4.475 0.000 1
762 374 374 ASP C C 178.056 0.257 1
763 374 374 ASP CA C 59.610 0.132 1
764 374 374 ASP CB C 41.313 0.014 1
765 374 374 ASP CG C 182.963 0.000 1
766 374 374 ASP N N 119.718 0.198 1
767 375 375 SER H H 7.245 0.022 1
768 375 375 SER HA H 4.747 0.015 1
769 375 375 SER C C 174.027 0.027 1
770 375 375 SER CA C 59.151 0.066 1
771 375 375 SER CB C 65.648 0.022 1
772 375 375 SER N N 109.213 0.194 1
773 376 376 GLY H H 9.283 0.011 1
774 376 376 GLY HA2 H 3.516 0.000 2
775 376 376 GLY HA3 H 5.436 0.048 2
776 376 376 GLY C C 175.349 0.092 1
777 376 376 GLY CA C 44.278 0.097 1
778 376 376 GLY N N 116.045 0.239 1
779 377 377 GLY H H 8.875 0.044 1
780 377 377 GLY HA2 H 4.019 0.021 2
781 377 377 GLY HA3 H 3.577 0.013 2
782 377 377 GLY C C 174.636 0.020 1
783 377 377 GLY CA C 46.982 0.079 1
784 377 377 GLY N N 106.981 0.163 1
785 378 378 ILE H H 6.660 0.022 1
786 378 378 ILE HA H 4.113 0.000 1
787 378 378 ILE C C 177.656 0.086 1
788 378 378 ILE CA C 64.859 0.059 1
789 378 378 ILE CB C 37.242 0.016 1
790 378 378 ILE CG1 C 29.521 0.091 1
791 378 378 ILE CG2 C 19.644 0.008 1
792 378 378 ILE CD1 C 14.218 0.026 1
793 378 378 ILE N N 116.385 0.093 1
794 379 379 GLU H H 8.564 0.000 1
795 379 379 GLU C C 177.309 0.000 1
796 379 379 GLU CA C 59.226 0.080 1
797 379 379 GLU CB C 27.858 0.066 1
798 379 379 GLU CG C 35.698 0.000 1
799 379 379 GLU CD C 182.827 0.000 1
800 379 379 GLU N N 114.030 0.097 1
801 380 380 GLN CA C 58.821 0.004 1
802 380 380 GLN CB C 26.856 0.091 1
803 380 380 GLN N N 120.695 0.046 1
804 381 381 ASP H H 8.460 0.000 1
805 381 381 ASP C C 177.367 0.115 1
806 381 381 ASP CA C 56.254 0.030 1
807 381 381 ASP CB C 42.102 0.042 1
808 381 381 ASP N N 118.932 0.055 1
809 382 382 ALA H H 7.472 0.000 1
810 382 382 ALA HA H 3.698 0.007 1
811 382 382 ALA C C 177.529 0.025 1
812 382 382 ALA CA C 53.243 0.073 1
813 382 382 ALA CB C 20.806 0.035 1
814 382 382 ALA N N 116.901 0.165 1
815 383 383 ASP H H 9.470 0.023 1
816 383 383 ASP HA H 4.539 0.006 1
817 383 383 ASP C C 175.467 0.076 1
818 383 383 ASP CA C 57.099 0.117 1
819 383 383 ASP CB C 43.206 0.027 1
820 383 383 ASP N N 121.329 0.257 1
821 384 384 ILE H H 7.330 0.001 1
822 384 384 ILE HA H 4.671 0.014 1
823 384 384 ILE C C 174.927 0.041 1
824 384 384 ILE CA C 58.467 0.139 1
825 384 384 ILE CB C 43.540 0.033 1
826 384 384 ILE CG2 C 17.313 0.030 1
827 384 384 ILE CD1 C 14.200 0.021 1
828 384 384 ILE N N 115.163 0.176 1
829 385 385 VAL H H 8.607 0.005 1
830 385 385 VAL HA H 4.625 0.014 1
831 385 385 VAL C C 173.354 0.069 1
832 385 385 VAL CA C 60.907 0.088 1
833 385 385 VAL CB C 33.108 0.032 1
834 385 385 VAL CG1 C 21.266 0.007 1
835 385 385 VAL N N 125.739 0.166 1
836 386 386 LEU H H 9.255 0.001 1
837 386 386 LEU HA H 5.431 0.000 1
838 386 386 LEU C C 175.416 0.016 1
839 386 386 LEU CA C 51.258 0.128 1
840 386 386 LEU CB C 43.037 0.043 1
841 386 386 LEU CG C 26.973 0.003 1
842 386 386 LEU CD1 C 21.338 0.000 1
843 386 386 LEU N N 126.377 0.198 1
844 387 387 PHE H H 9.415 0.014 1
845 387 387 PHE HA H 6.455 0.012 1
846 387 387 PHE C C 175.384 0.054 1
847 387 387 PHE CA C 53.016 0.104 1
848 387 387 PHE CB C 42.867 0.022 1
849 387 387 PHE CG C 138.652 0.000 1
850 387 387 PHE CE1 C 130.038 0.000 1
851 387 387 PHE CE2 C 130.038 0.000 1
852 387 387 PHE N N 119.069 0.238 1
853 388 388 LEU H H 7.962 0.028 1
854 388 388 LEU HA H 5.125 0.004 1
855 388 388 LEU C C 175.135 0.023 1
856 388 388 LEU CA C 53.241 0.141 1
857 388 388 LEU CB C 42.499 0.050 1
858 388 388 LEU CG C 26.963 0.000 1
859 388 388 LEU CD1 C 24.602 0.000 1
860 388 388 LEU N N 118.918 0.209 1
861 389 389 TYR H H 8.686 0.000 1
862 389 389 TYR HA H 4.804 0.000 1
863 389 389 TYR C C 173.363 0.093 1
864 389 389 TYR CA C 57.324 0.072 1
865 389 389 TYR CB C 42.008 0.103 1
866 389 389 TYR N N 121.708 0.192 1
867 390 390 ARG H H 7.045 0.000 1
868 390 390 ARG HA H 4.737 0.038 1
869 390 390 ARG C C 176.154 0.066 1
870 390 390 ARG CA C 54.673 0.094 1
871 390 390 ARG CB C 31.045 0.036 1
872 390 390 ARG CG C 25.400 0.000 1
873 390 390 ARG CD C 44.606 0.000 1
874 390 390 ARG N N 128.723 0.187 1
875 391 391 GLY HA2 H 3.889 0.000 2
876 391 391 GLY HA3 H 3.444 0.000 2
877 391 391 GLY C C 176.437 0.034 1
878 391 391 GLY CA C 47.754 0.071 1
879 391 391 GLY N N 109.448 0.324 1
880 392 392 TYR H H 9.761 0.000 1
881 392 392 TYR HA H 4.258 0.002 1
882 392 392 TYR C C 177.539 0.034 1
883 392 392 TYR CA C 61.017 0.122 1
884 392 392 TYR CB C 39.297 0.034 1
885 392 392 TYR CG C 128.715 0.000 1
886 392 392 TYR N N 123.625 0.230 1
887 393 393 ILE H H 7.032 0.019 1
888 393 393 ILE HA H 3.390 0.000 1
889 393 393 ILE C C 179.003 0.073 1
890 393 393 ILE CA C 63.081 0.041 1
891 393 393 ILE CB C 36.851 0.046 1
892 393 393 ILE CG1 C 28.214 0.000 1
893 393 393 ILE CG2 C 16.149 0.037 1
894 393 393 ILE N N 115.253 0.147 1
895 394 394 TYR N N 119.032 0.078 1
896 402 402 LYS CA C 57.764 0.093 1
897 403 403 ILE H H 6.825 0.006 1
898 403 403 ILE HA H 4.240 0.000 1
899 403 403 ILE C C 180.344 0.042 1
900 403 403 ILE CA C 57.141 0.074 1
901 403 403 ILE CB C 41.931 0.024 1
902 403 403 ILE CG1 C 27.122 0.052 1
903 403 403 ILE CG2 C 24.235 0.008 1
904 403 403 ILE N N 118.509 0.051 1
905 404 404 ASP H H 8.810 0.007 1
906 404 404 ASP HA H 4.107 0.002 1
907 404 404 ASP C C 178.735 0.037 1
908 404 404 ASP CA C 58.000 0.095 1
909 404 404 ASP CB C 38.936 0.033 1
910 404 404 ASP CG C 177.448 0.000 1
911 404 404 ASP N N 126.340 0.065 1
912 405 405 LYS C C 177.696 0.013 1
913 405 405 LYS CA C 55.931 0.101 1
914 405 405 LYS CB C 38.392 0.027 1
915 405 405 LYS N N 119.378 0.067 1
916 406 406 LEU H H 8.937 0.000 1
917 406 406 LEU C C 175.529 0.000 1
918 406 406 LEU CA C 58.523 0.029 1
919 406 406 LEU CB C 41.467 0.000 1
920 406 406 LEU CD1 C 17.997 0.000 1
921 406 406 LEU N N 121.392 0.065 1
922 407 407 LYS C C 177.338 0.068 1
923 407 407 LYS CA C 55.986 0.107 1
924 408 408 LYS C C 178.849 0.156 1
925 408 408 LYS CA C 59.462 0.096 1
926 408 408 LYS CB C 31.999 0.092 1
927 408 408 LYS CE C 43.135 0.000 1
928 408 408 LYS N N 123.189 0.350 1
929 409 409 GLU C C 176.586 0.046 1
930 409 409 GLU CA C 56.299 0.054 1
931 409 409 GLU CB C 30.062 0.043 1
932 409 409 GLU CG C 36.059 0.000 1
933 409 409 GLU CD C 182.993 0.000 1
934 409 409 GLU N N 116.491 0.194 1
935 410 410 GLY C C 175.115 0.029 1
936 410 410 GLY CA C 45.278 0.051 1
937 410 410 GLY N N 107.744 0.099 1
938 411 411 LYS H H 9.015 0.000 1
939 411 411 LYS C C 176.459 0.031 1
940 411 411 LYS CA C 54.540 0.098 1
941 411 411 LYS CB C 30.301 0.059 1
942 411 411 LYS CG C 24.880 0.000 1
943 411 411 LYS CD C 23.605 0.000 1
944 411 411 LYS N N 126.108 0.116 1
945 412 412 ILE H H 7.429 0.000 1
946 412 412 ILE HA H 3.575 0.002 1
947 412 412 ILE C C 178.633 0.022 1
948 412 412 ILE CA C 63.973 0.046 1
949 412 412 ILE CB C 37.270 0.022 1
950 412 412 ILE CG1 C 27.891 0.000 1
951 412 412 ILE CG2 C 17.774 0.000 1
952 412 412 ILE CD1 C 11.946 0.000 1
953 412 412 ILE N N 118.809 0.124 1
954 413 413 GLU CA C 58.844 0.066 1
955 413 413 GLU CB C 29.695 0.000 1
956 413 413 GLU CG C 34.714 0.000 1
957 413 413 GLU CD C 183.526 0.000 1
958 413 413 GLU N N 121.964 0.080 1
959 430 430 LYS C C 180.406 0.050 1
960 430 430 LYS CA C 58.881 0.074 1
961 430 430 LYS CB C 32.505 0.066 1
962 431 431 GLN C C 177.462 0.022 1
963 431 431 GLN CA C 58.683 0.031 1
964 431 431 GLN CB C 28.757 0.013 1
965 431 431 GLN CD C 180.264 0.000 1
966 431 431 GLN N N 123.105 0.237 1
967 432 432 ASN H H 8.008 0.000 1
968 432 432 ASN HA H 4.792 0.002 1
969 432 432 ASN C C 174.865 0.031 1
970 432 432 ASN CA C 52.964 0.058 1
971 432 432 ASN CB C 38.395 0.025 1
972 432 432 ASN N N 115.452 0.115 1
973 433 433 GLY H H 7.606 0.008 1
974 433 433 GLY HA2 H 4.162 0.000 1
975 433 433 GLY C C 173.647 0.148 1
976 433 433 GLY CA C 45.000 0.131 1
977 433 433 GLY N N 105.693 0.067 1
978 434 434 SER H H 8.235 0.000 1
979 434 434 SER C C 172.829 0.023 1
980 434 434 SER CA C 58.436 0.112 1
981 434 434 SER CB C 60.223 0.031 1
982 434 434 SER N N 111.240 0.084 1
983 435 435 ILE H H 7.776 0.000 1
984 435 435 ILE HA H 4.389 0.000 1
985 435 435 ILE C C 175.950 0.090 1
986 435 435 ILE CA C 60.236 0.105 1
987 435 435 ILE CB C 38.288 0.010 1
988 435 435 ILE CG2 C 18.559 0.020 1
989 435 435 ILE N N 120.168 0.173 1
990 436 436 GLU H H 8.470 0.000 1
991 436 436 GLU HA H 4.840 0.000 1
992 436 436 GLU C C 176.731 0.050 1
993 436 436 GLU CA C 53.181 0.101 1
994 436 436 GLU CB C 33.915 0.041 1
995 436 436 GLU CG C 35.854 0.000 1
996 436 436 GLU CD C 182.992 0.000 1
997 436 436 GLU N N 125.076 0.207 1
998 437 437 GLU H H 9.062 0.001 1
999 437 437 GLU HA H 4.837 0.031 1
1000 437 437 GLU C C 176.069 0.018 1
1001 437 437 GLU CA C 57.244 0.075 1
1002 437 437 GLU CB C 29.692 0.084 1
1003 437 437 GLU CG C 33.389 0.000 1
1004 437 437 GLU CD C 183.315 0.000 1
1005 437 437 GLU N N 122.478 0.145 1
1006 438 438 ALA H H 9.293 0.038 1
1007 438 438 ALA HA H 5.452 0.014 1
1008 438 438 ALA C C 175.224 0.052 1
1009 438 438 ALA CA C 51.135 0.062 1
1010 438 438 ALA CB C 24.091 0.031 1
1011 438 438 ALA N N 130.766 0.197 1
1012 439 439 GLU HA H 4.598 0.003 1
1013 439 439 GLU C C 175.119 0.018 1
1014 439 439 GLU CA C 55.107 0.101 1
1015 439 439 GLU CB C 33.664 0.054 1
1016 439 439 GLU CG C 35.873 0.000 1
1017 439 439 GLU CD C 183.032 0.000 1
1018 439 439 GLU N N 118.633 0.228 1
1019 440 440 ILE H H 8.908 0.009 1
1020 440 440 ILE HA H 4.512 0.002 1
1021 440 440 ILE C C 174.786 0.043 1
1022 440 440 ILE CA C 60.879 0.053 1
1023 440 440 ILE CB C 38.752 0.015 1
1024 440 440 ILE CG1 C 25.864 0.006 1
1025 440 440 ILE CG2 C 17.745 0.006 1
1026 440 440 ILE CD1 C 13.173 0.030 1
1027 440 440 ILE N N 120.573 0.095 1
1028 441 441 ILE H H 9.864 0.010 1
1029 441 441 ILE HA H 3.959 0.006 1
1030 441 441 ILE C C 176.320 0.041 1
1031 441 441 ILE CA C 61.747 0.069 1
1032 441 441 ILE CB C 40.590 0.113 1
1033 441 441 ILE CG1 C 27.934 0.000 1
1034 441 441 ILE CG2 C 16.757 0.007 1
1035 441 441 ILE CD1 C 14.262 0.000 1
1036 441 441 ILE N N 128.404 0.091 1
1037 442 442 VAL H H 9.045 0.003 1
1038 442 442 VAL HA H 4.091 0.010 1
1039 442 442 VAL C C 174.219 0.026 1
1040 442 442 VAL CA C 61.251 0.092 1
1041 442 442 VAL CB C 28.988 0.014 1
1042 442 442 VAL CG1 C 21.289 0.042 2
1043 442 442 VAL CG2 C 19.668 0.005 2
1044 442 442 VAL N N 129.132 0.190 1
1045 443 443 ALA H H 8.091 0.013 1
1046 443 443 ALA HA H 4.205 0.005 1
1047 443 443 ALA C C 176.929 0.018 1
1048 443 443 ALA CA C 52.365 0.091 1
1049 443 443 ALA CB C 22.174 0.023 1
1050 443 443 ALA N N 130.449 0.162 1
1051 444 444 LYS H H 7.626 0.003 1
1052 444 444 LYS HA H 4.386 0.000 1
1053 444 444 LYS HZ H 7.774 0.000 1
1054 444 444 LYS C C 173.348 0.015 1
1055 444 444 LYS CA C 55.510 0.110 1
1056 444 444 LYS CB C 37.033 0.029 1
1057 444 444 LYS CG C 26.038 0.026 1
1058 444 444 LYS CE C 43.360 0.016 1
1059 444 444 LYS N N 116.350 0.262 1
1060 444 444 LYS NZ N 30.801 0.019 1
1061 445 445 ASN H H 10.046 0.000 1
1062 445 445 ASN HA H 4.686 0.000 1
1063 445 445 ASN C C 172.652 0.039 1
1064 445 445 ASN CA C 51.440 0.095 1
1065 445 445 ASN CB C 37.183 0.101 1
1066 445 445 ASN CG C 176.504 0.000 1
1067 445 445 ASN N N 127.314 0.209 1
1068 446 446 ARG H H 8.930 0.000 1
1069 446 446 ARG HA H 3.883 0.010 1
1070 446 446 ARG HH11 H 10.110 0.000 1
1071 446 446 ARG C C 175.109 0.016 1
1072 446 446 ARG CA C 60.932 0.151 1
1073 446 446 ARG CB C 31.746 0.259 1
1074 446 446 ARG CG C 27.013 0.056 1
1075 446 446 ARG CD C 43.439 0.000 1
1076 446 446 ARG CZ C 159.789 0.036 1
1077 446 446 ARG N N 124.857 0.190 1
1078 446 446 ARG NE N 85.161 0.042 1
1079 446 446 ARG NH1 N 69.383 0.277 1
1080 446 446 ARG NH2 N 73.709 0.000 1
1081 447 447 ASN H H 7.917 0.018 1
1082 447 447 ASN HA H 5.413 0.003 1
1083 447 447 ASN C C 173.956 0.045 1
1084 447 447 ASN CA C 50.795 0.149 1
1085 447 447 ASN CB C 40.072 0.028 1
1086 447 447 ASN CG C 177.647 0.140 1
1087 447 447 ASN N N 109.940 0.093 1
1088 448 448 GLY H H 6.963 0.018 1
1089 448 448 GLY HA2 H 3.624 0.006 2
1090 448 448 GLY HA3 H 3.206 0.013 2
1091 448 448 GLY C C 168.721 0.017 1
1092 448 448 GLY CA C 45.376 0.071 1
1093 448 448 GLY N N 104.441 0.109 1
1094 449 449 ALA H H 8.454 0.000 1
1095 449 449 ALA HA H 3.499 0.005 1
1096 449 449 ALA C C 176.801 0.032 1
1097 449 449 ALA CA C 50.951 0.093 1
1098 449 449 ALA CB C 19.954 0.051 1
1099 449 449 ALA N N 120.680 0.067 1
1100 450 450 THR H H 7.774 0.006 1
1101 450 450 THR HA H 4.142 0.003 1
1102 450 450 THR C C 173.541 0.038 1
1103 450 450 THR CA C 59.242 0.118 1
1104 450 450 THR CB C 69.848 0.025 1
1105 450 450 THR CG2 C 21.817 0.006 1
1106 450 450 THR N N 106.738 0.096 1
1107 451 451 GLY H H 7.571 0.027 1
1108 451 451 GLY HA2 H 4.376 0.013 2
1109 451 451 GLY HA3 H 3.807 0.016 2
1110 451 451 GLY C C 171.144 0.020 1
1111 451 451 GLY CA C 45.208 0.066 1
1112 451 451 GLY N N 105.807 0.122 1
1113 452 452 THR H H 8.293 0.012 1
1114 452 452 THR HA H 4.484 0.025 1
1115 452 452 THR C C 171.778 0.014 1
1116 452 452 THR CA C 63.052 0.089 1
1117 452 452 THR CB C 71.069 0.032 1
1118 452 452 THR CG2 C 21.606 0.019 1
1119 452 452 THR N N 116.931 0.114 1
1120 453 453 VAL H H 9.176 0.022 1
1121 453 453 VAL HA H 4.185 0.006 1
1122 453 453 VAL C C 174.366 0.077 1
1123 453 453 VAL CA C 60.986 0.069 1
1124 453 453 VAL CB C 32.710 0.023 1
1125 453 453 VAL CG1 C 21.584 0.009 2
1126 453 453 VAL CG2 C 20.810 0.030 2
1127 453 453 VAL N N 128.044 0.189 1
1128 454 454 TYR H H 8.816 0.003 1
1129 454 454 TYR HA H 4.768 0.031 1
1130 454 454 TYR C C 175.468 0.029 1
1131 454 454 TYR CA C 59.879 0.100 1
1132 454 454 TYR CB C 38.053 0.102 1
1133 454 454 TYR CD1 C 133.251 0.000 1
1134 454 454 TYR CD2 C 132.009 0.000 1
1135 454 454 TYR N N 128.409 0.155 1
1136 455 455 THR H H 8.753 0.019 1
1137 455 455 THR HA H 5.103 0.006 1
1138 455 455 THR C C 173.772 0.013 1
1139 455 455 THR CA C 59.947 0.054 1
1140 455 455 THR CB C 72.525 0.097 1
1141 455 455 THR CG2 C 22.455 0.088 1
1142 455 455 THR N N 114.597 0.154 1
1143 456 456 ARG H H 9.092 0.022 1
1144 456 456 ARG HA H 5.556 0.016 1
1145 456 456 ARG C C 175.260 0.079 1
1146 456 456 ARG CA C 54.393 0.094 1
1147 456 456 ARG CB C 33.218 0.043 1
1148 456 456 ARG CG C 27.691 0.177 1
1149 456 456 ARG CD C 42.439 0.000 1
1150 456 456 ARG N N 119.639 0.224 1
1151 457 457 PHE H H 9.519 0.004 1
1152 457 457 PHE HA H 4.721 0.013 1
1153 457 457 PHE C C 173.332 0.046 1
1154 457 457 PHE CA C 55.400 0.101 1
1155 457 457 PHE CB C 39.997 0.008 1
1156 457 457 PHE CG C 137.702 0.000 1
1157 457 457 PHE CE1 C 130.324 0.000 1
1158 457 457 PHE CE2 C 130.324 0.000 1
1159 457 457 PHE N N 121.901 0.235 1
1160 458 458 ASN H H 8.997 0.012 1
1161 458 458 ASN HA H 4.113 0.003 1
1162 458 458 ASN C C 173.404 0.048 1
1163 458 458 ASN CA C 51.080 0.096 1
1164 458 458 ASN CB C 36.377 0.045 1
1165 458 458 ASN CG C 174.630 0.022 1
1166 458 458 ASN N N 129.276 0.081 1
1167 459 459 ALA H H 6.254 0.029 1
1168 459 459 ALA HA H 2.429 0.000 1
1169 459 459 ALA C C 174.164 0.042 1
1170 459 459 ALA CA C 55.819 0.088 1
1171 459 459 ALA CB C 17.651 0.016 1
1172 459 459 ALA N N 125.222 0.094 1
1173 460 460 PRO C C 175.782 0.078 1
1174 460 460 PRO CA C 64.102 0.090 1
1175 460 460 PRO CB C 30.628 0.033 1
1176 460 460 PRO CG C 28.412 0.000 1
1177 460 460 PRO CD C 49.941 0.000 1
1178 460 460 PRO N N 128.815 0.141 1
1179 461 461 PHE H H 5.962 0.000 1
1180 461 461 PHE HA H 5.027 0.029 1
1181 461 461 PHE C C 173.647 0.107 1
1182 461 461 PHE CA C 52.163 0.143 1
1183 461 461 PHE CB C 38.388 0.018 1
1184 461 461 PHE N N 112.323 0.134 1
1185 462 462 THR H H 7.474 0.000 1
1186 462 462 THR HA H 2.969 0.004 1
1187 462 462 THR C C 173.302 0.055 1
1188 462 462 THR CA C 60.921 0.103 1
1189 462 462 THR CB C 68.294 0.044 1
1190 462 462 THR CG2 C 22.121 0.025 1
1191 462 462 THR N N 108.576 0.235 1
1192 463 463 ARG H H 6.716 0.018 1
1193 463 463 ARG CA C 54.550 0.066 1
1194 463 463 ARG CB C 33.229 0.000 1
1195 463 463 ARG N N 115.794 0.101 1
stop_
save_