data_17575
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
solution structure of the C domain of Rv0899 from mycobacterium tuberculosis
;
_BMRB_accession_number 17575
_BMRB_flat_file_name bmr17575.str
_Entry_type original
_Submission_date 2011-04-06
_Accession_date 2011-04-06
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Yao Yong . .
2 Marassi Francesca . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 627
"13C chemical shifts" 350
"15N chemical shifts" 129
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-03-08 update BMRB 'update entry citation'
2012-01-04 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_citations
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Molecular Structure and Peptidoglycan Recognition of Mycobacterium tuberculosis ArfA (Rv0899).'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 22206986
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Yao Yong . .
2 Barghava Neha . .
3 Kim Johnny . .
4 Niederweis Michael . .
5 Marassi Francesca M. .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_name_full 'Journal of molecular biology'
_Journal_volume 416
_Journal_issue 2
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 208
_Page_last 220
_Year 2012
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'C domain of Rv0899'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'C domain of Rv0899' $entity
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_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity
_Molecular_mass 14052.831
_Mol_thiol_state 'Disulfide Bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 137
_Mol_residue_sequence
;
GQAPPGPPASGPCADLQSAI
NAVTGGPIAFGNDGASLIPA
AYEILNRVADKLKACPDARV
TINGYTDNTGSEGINIPLSA
QRAKIVADYLVARGVAGDHI
ATVGLGSVNPIASNATPEGR
AKNRRVEIVVNHHHHHH
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 196 GLY 2 197 GLN 3 198 ALA 4 199 PRO 5 200 PRO
6 201 GLY 7 202 PRO 8 203 PRO 9 204 ALA 10 205 SER
11 206 GLY 12 207 PRO 13 208 CYS 14 209 ALA 15 210 ASP
16 211 LEU 17 212 GLN 18 213 SER 19 214 ALA 20 215 ILE
21 216 ASN 22 217 ALA 23 218 VAL 24 219 THR 25 220 GLY
26 221 GLY 27 222 PRO 28 223 ILE 29 224 ALA 30 225 PHE
31 226 GLY 32 227 ASN 33 228 ASP 34 229 GLY 35 230 ALA
36 231 SER 37 232 LEU 38 233 ILE 39 234 PRO 40 235 ALA
41 236 ALA 42 237 TYR 43 238 GLU 44 239 ILE 45 240 LEU
46 241 ASN 47 242 ARG 48 243 VAL 49 244 ALA 50 245 ASP
51 246 LYS 52 247 LEU 53 248 LYS 54 249 ALA 55 250 CYS
56 251 PRO 57 252 ASP 58 253 ALA 59 254 ARG 60 255 VAL
61 256 THR 62 257 ILE 63 258 ASN 64 259 GLY 65 260 TYR
66 261 THR 67 262 ASP 68 263 ASN 69 264 THR 70 265 GLY
71 266 SER 72 267 GLU 73 268 GLY 74 269 ILE 75 270 ASN
76 271 ILE 77 272 PRO 78 273 LEU 79 274 SER 80 275 ALA
81 276 GLN 82 277 ARG 83 278 ALA 84 279 LYS 85 280 ILE
86 281 VAL 87 282 ALA 88 283 ASP 89 284 TYR 90 285 LEU
91 286 VAL 92 287 ALA 93 288 ARG 94 289 GLY 95 290 VAL
96 291 ALA 97 292 GLY 98 293 ASP 99 294 HIS 100 295 ILE
101 296 ALA 102 297 THR 103 298 VAL 104 299 GLY 105 300 LEU
106 301 GLY 107 302 SER 108 303 VAL 109 304 ASN 110 305 PRO
111 306 ILE 112 307 ALA 113 308 SER 114 309 ASN 115 310 ALA
116 311 THR 117 312 PRO 118 313 GLU 119 314 GLY 120 315 ARG
121 316 ALA 122 317 LYS 123 318 ASN 124 319 ARG 125 320 ARG
126 321 VAL 127 322 GLU 128 323 ILE 129 324 VAL 130 325 VAL
131 326 ASN 132 327 HIS 133 328 HIS 134 329 HIS 135 330 HIS
136 331 HIS 137 332 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-11-04
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 16237 "amino-terminal domain" 95.62 254 99.24 99.24 1.59e-84
BMRB 17863 Rv0899 101.46 284 97.84 97.84 1.30e-88
PDB 2KGW "Solution Structure Of The Carboxy-Terminal Domain Of Ompatb, A Pore Forming Protein From Mycobacterium Tuberculosis" 94.16 129 99.22 99.22 5.48e-83
PDB 2L26 "Rv0899 From Mycobacterium Tuberculosis Contains Two Separated Domains" 101.46 284 97.84 97.84 1.30e-88
PDB 2LBT "Solution Structure Of The C Domain Of Rv0899(D236a) From Mycobacterium Tuberculosis" 100.00 137 100.00 100.00 2.64e-91
PDB 2LCA "Solution Structure Of The C Domain Of Rv0899 From Mycobacterium Tuberculosis" 100.00 137 99.27 99.27 2.32e-90
DBJ BAH25212 "putative outer membrane protein A [Mycobacterium bovis BCG str. Tokyo 172]" 95.62 326 99.24 99.24 1.42e-83
DBJ BAL64801 "outer membrane protein A [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" 95.62 320 99.24 99.24 1.35e-83
DBJ BAQ04819 "outer membrane protein A [Mycobacterium tuberculosis str. Kurono]" 95.62 291 99.24 99.24 4.82e-84
DBJ GAA44658 "outer membrane protein A [Mycobacterium tuberculosis NCGM2209]" 95.62 320 99.24 99.24 1.35e-83
EMBL CAL70937 "probable outer membrane protein A ompA [Mycobacterium bovis BCG str. Pasteur 1173P2]" 95.62 326 99.24 99.24 1.42e-83
EMBL CCC25980 "outer membrane protein A OMPA [Mycobacterium africanum GM041182]" 95.62 326 99.24 99.24 1.42e-83
EMBL CCC43237 "OUTER membrane protein A OMPA [Mycobacterium canettii CIPT 140010059]" 95.62 326 99.24 99.24 1.49e-83
EMBL CCC63509 "probable outer membrane protein A ompA [Mycobacterium bovis BCG str. Moreau RDJ]" 95.62 326 99.24 99.24 1.42e-83
EMBL CCE36433 "ompA [Mycobacterium tuberculosis UT205]" 95.62 326 99.24 99.24 1.42e-83
GB AAK45169 "OmpA family protein [Mycobacterium tuberculosis CDC1551]" 95.62 326 99.24 99.24 1.42e-83
GB ABI54278 "outer membrane protein A [Mycobacterium bovis]" 95.62 326 99.24 99.24 1.42e-83
GB ABQ72638 "outer membrane protein A [Mycobacterium tuberculosis H37Ra]" 95.62 326 99.24 99.24 1.42e-83
GB ABR05261 "outer membrane protein A ompA [Mycobacterium tuberculosis F11]" 95.62 326 99.24 99.24 1.42e-83
GB ACT26182 "outer membrane protein A ompA [Mycobacterium tuberculosis KZN 1435]" 95.62 326 99.24 99.24 1.42e-83
REF NP_215414 "peptidoglycan-binding protein ArfA [Mycobacterium tuberculosis H37Rv]" 95.62 326 99.24 99.24 1.42e-83
REF NP_854580 "outer membrane protein OmpA [Mycobacterium bovis AF2122/97]" 95.62 326 99.24 99.24 1.42e-83
REF WP_003404684 "MULTISPECIES: peptidoglycan-binding protein [Mycobacterium]" 95.62 326 99.24 99.24 1.42e-83
REF WP_003915129 "membrane protein [Mycobacterium tuberculosis]" 95.62 320 99.24 99.24 1.35e-83
REF WP_014000491 "peptidoglycan-binding protein [Mycobacterium canettii]" 95.62 326 99.24 99.24 1.49e-83
SP A1KH31 "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane protein A; Short=OmpATb; AltName: Full=Outer mem" 95.62 326 99.24 99.24 1.42e-83
SP P65594 "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane protein ArfA" 95.62 326 99.24 99.24 1.42e-83
SP P9WIU4 "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane porin A; AltName: Full=Outer membrane protein A;" 95.62 326 99.24 99.24 1.42e-83
SP P9WIU5 "RecName: Full=Peptidoglycan-binding protein ArfA; AltName: Full=Outer membrane porin A; AltName: Full=Outer membrane protein A;" 95.62 326 99.24 99.24 1.42e-83
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity 'Mycobacterium tuberculosis' 1773 Bacteria . Mycobacterium tuberculosis
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
$entity 'recombinant technology' . Escherichia coli . pet21b
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.5 mM '[U-99% 13C; U-99% 15N]'
D2O 10 % 'natural abundance'
H2O 90 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_X-PLOR_NIH
_Saveframe_category software
_Name 'X-PLOR NIH'
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_HNCACB_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_1
save_
save_3D_H(CCO)NH_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aliphatic_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_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 6.8 . pH
pressure 1 . atm
temperature 298 . 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 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCACB'
'3D C(CO)NH'
'3D H(CCO)NH'
'3D HCCH-TOCSY'
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 'C domain of Rv0899'
_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
1 197 2 GLN HA H 4.3770 0.005 1
2 197 2 GLN HB2 H 2.0170 0.005 2
3 197 2 GLN HB3 H 2.0170 0.005 2
4 197 2 GLN HG2 H 2.3700 0.005 2
5 197 2 GLN HG3 H 2.3700 0.005 2
6 197 2 GLN HE21 H 6.8710 0.005 2
7 197 2 GLN HE22 H 7.5930 0.005 2
8 197 2 GLN CA C 55.4390 0.1 1
9 197 2 GLN CB C 29.7610 0.1 1
10 197 2 GLN CG C 33.7840 0.1 1
11 197 2 GLN NE2 N 112.5620 0.1 1
12 198 3 ALA H H 8.5240 0.005 1
13 198 3 ALA CA C 50.3440 0.1 1
14 198 3 ALA CB C 17.6590 0.1 1
15 198 3 ALA N N 127.8870 0.1 1
16 200 5 PRO HA H 4.4320 0.005 1
17 200 5 PRO HB2 H 1.9800 0.005 2
18 200 5 PRO HB3 H 1.9800 0.005 2
19 200 5 PRO HG2 H 2.2870 0.005 2
20 200 5 PRO HG3 H 2.2870 0.005 2
21 200 5 PRO HD2 H 3.7230 0.005 2
22 200 5 PRO HD3 H 3.7230 0.005 2
23 200 5 PRO CA C 63.1020 0.1 1
24 200 5 PRO CB C 32.0360 0.1 1
25 200 5 PRO CG C 26.8720 0.1 1
26 200 5 PRO CD C 50.1340 0.1 1
27 201 6 GLY H H 8.1990 0.005 1
28 201 6 GLY HA2 H 3.9420 0.005 2
29 201 6 GLY HA3 H 4.1530 0.005 2
30 201 6 GLY CA C 44.2500 0.1 1
31 201 6 GLY N N 108.9790 0.1 1
32 203 8 PRO HA H 4.4160 0.005 1
33 203 8 PRO HB2 H 1.9550 0.005 2
34 203 8 PRO HB3 H 1.9550 0.005 2
35 203 8 PRO HG2 H 2.2970 0.005 2
36 203 8 PRO HG3 H 2.2970 0.005 2
37 203 8 PRO CA C 62.6770 0.1 1
38 203 8 PRO CB C 31.7060 0.1 1
39 203 8 PRO CG C 26.9440 0.1 1
40 203 8 PRO CD C 50.2150 0.1 1
41 204 9 ALA H H 8.4650 0.005 1
42 204 9 ALA HA H 4.3060 0.005 1
43 204 9 ALA HB H 1.3860 0.005 1
44 204 9 ALA CA C 52.2480 0.1 1
45 204 9 ALA CB C 19.0190 0.1 1
46 204 9 ALA N N 124.3490 0.1 1
47 205 10 SER H H 8.2000 0.005 1
48 205 10 SER HA H 4.4990 0.005 1
49 205 10 SER HB2 H 3.8500 0.005 2
50 205 10 SER HB3 H 3.8500 0.005 2
51 205 10 SER CA C 57.7310 0.1 1
52 205 10 SER CB C 64.4000 0.1 1
53 205 10 SER N N 114.2330 0.1 1
54 206 11 GLY H H 8.3880 0.005 1
55 206 11 GLY CA C 44.9150 0.1 1
56 206 11 GLY N N 110.3710 0.1 1
57 208 13 CYS H H 8.6150 0.005 1
58 208 13 CYS HA H 4.6850 0.005 1
59 208 13 CYS HB2 H 3.1890 0.005 2
60 208 13 CYS HB3 H 2.8930 0.005 2
61 208 13 CYS CA C 54.4860 0.1 1
62 208 13 CYS CB C 40.7300 0.1 1
63 208 13 CYS N N 116.1660 0.1 1
64 209 14 ALA H H 7.5690 0.005 1
65 209 14 ALA HA H 4.1200 0.005 1
66 209 14 ALA HB H 1.3230 0.005 1
67 209 14 ALA CA C 53.5100 0.1 1
68 209 14 ALA CB C 18.8280 0.1 1
69 209 14 ALA N N 123.8970 0.1 1
70 210 15 ASP H H 8.4860 0.005 1
71 210 15 ASP HA H 4.7100 0.005 1
72 210 15 ASP HB2 H 2.8840 0.005 2
73 210 15 ASP HB3 H 2.4980 0.005 2
74 210 15 ASP CA C 53.2930 0.1 1
75 210 15 ASP CB C 39.7300 0.1 1
76 210 15 ASP N N 119.6300 0.1 1
77 211 16 LEU H H 7.7110 0.005 1
78 211 16 LEU HA H 4.1020 0.005 1
79 211 16 LEU HB2 H 1.7540 0.005 2
80 211 16 LEU HB3 H 1.6200 0.005 2
81 211 16 LEU HG H 1.5200 0.005 1
82 211 16 LEU HD1 H 0.9450 0.005 1
83 211 16 LEU HD2 H 0.8800 0.005 1
84 211 16 LEU CA C 57.8400 0.1 1
85 211 16 LEU CB C 42.5780 0.1 1
86 211 16 LEU CG C 27.0000 0.1 1
87 211 16 LEU CD1 C 24.2130 0.1 1
88 211 16 LEU CD2 C 26.4390 0.1 1
89 211 16 LEU N N 121.1670 0.1 1
90 212 17 GLN H H 9.1410 0.005 1
91 212 17 GLN HA H 3.8270 0.005 1
92 212 17 GLN HB2 H 2.1920 0.005 2
93 212 17 GLN HB3 H 2.1920 0.005 2
94 212 17 GLN HG2 H 2.4790 0.005 2
95 212 17 GLN HG3 H 2.3040 0.005 2
96 212 17 GLN HE21 H 7.2260 0.005 2
97 212 17 GLN HE22 H 7.5130 0.005 2
98 212 17 GLN CA C 59.1270 0.1 1
99 212 17 GLN CB C 28.5690 0.1 1
100 212 17 GLN N N 118.3890 0.1 1
101 212 17 GLN NE2 N 114.4470 0.1 1
102 213 18 SER H H 7.9230 0.005 1
103 213 18 SER HA H 4.1850 0.005 1
104 213 18 SER HB2 H 3.9240 0.005 2
105 213 18 SER HB3 H 3.9240 0.005 2
106 213 18 SER CA C 56.0810 0.1 1
107 213 18 SER CB C 63.5210 0.1 1
108 213 18 SER N N 114.8470 0.1 1
109 214 19 ALA H H 7.9850 0.005 1
110 214 19 ALA HA H 4.2540 0.005 1
111 214 19 ALA HB H 1.5530 0.005 1
112 214 19 ALA CA C 54.7800 0.1 1
113 214 19 ALA CB C 18.5840 0.1 1
114 214 19 ALA N N 125.3430 0.1 1
115 215 20 ILE H H 8.6600 0.005 1
116 215 20 ILE HA H 3.7050 0.005 1
117 215 20 ILE HB H 2.0350 0.005 1
118 215 20 ILE HG12 H 1.6500 0.005 2
119 215 20 ILE HG13 H 1.1800 0.005 2
120 215 20 ILE HG2 H 0.9340 0.005 1
121 215 20 ILE HD1 H 0.6790 0.005 1
122 215 20 ILE CA C 64.8900 0.1 1
123 215 20 ILE CB C 37.1350 0.1 1
124 215 20 ILE CG1 C 29.6000 0.1 1
125 215 20 ILE CG2 C 17.1800 0.1 1
126 215 20 ILE CD1 C 12.7200 0.1 1
127 215 20 ILE N N 118.4100 0.1 1
128 216 21 ASN H H 8.8400 0.005 1
129 216 21 ASN HA H 4.5850 0.005 1
130 216 21 ASN HB2 H 2.9890 0.005 2
131 216 21 ASN HB3 H 2.8640 0.005 2
132 216 21 ASN HD21 H 7.2210 0.005 2
133 216 21 ASN HD22 H 7.7040 0.005 2
134 216 21 ASN CA C 55.2800 0.1 1
135 216 21 ASN CB C 36.7020 0.1 1
136 216 21 ASN N N 121.4310 0.1 1
137 216 21 ASN ND2 N 110.2230 0.1 1
138 217 22 ALA H H 8.0050 0.005 1
139 217 22 ALA HA H 4.2460 0.005 1
140 217 22 ALA HB H 1.5500 0.005 1
141 217 22 ALA CA C 54.3740 0.1 1
142 217 22 ALA CB C 18.0000 0.1 1
143 217 22 ALA N N 122.3770 0.1 1
144 218 23 VAL H H 7.5590 0.005 1
145 218 23 VAL HA H 3.9810 0.005 1
146 218 23 VAL HB H 2.3360 0.005 1
147 218 23 VAL HG1 H 1.0050 0.005 2
148 218 23 VAL HG2 H 1.0630 0.005 2
149 218 23 VAL CA C 64.4400 0.1 1
150 218 23 VAL CB C 32.2000 0.1 1
151 218 23 VAL CG1 C 23.6200 0.1 2
152 218 23 VAL CG2 C 22.1040 0.1 2
153 218 23 VAL N N 116.0940 0.1 1
154 219 24 THR H H 8.6430 0.005 1
155 219 24 THR HA H 4.1460 0.005 1
156 219 24 THR HB H 4.5210 0.005 1
157 219 24 THR HG1 H 5.7240 0.005 1
158 219 24 THR HG2 H 1.1590 0.005 1
159 219 24 THR CA C 63.5100 0.1 1
160 219 24 THR CB C 68.3500 0.1 1
161 219 24 THR CG2 C 22.1900 0.1 1
162 219 24 THR N N 109.0920 0.1 1
163 220 25 GLY H H 8.2700 0.005 1
164 220 25 GLY HA2 H 3.8480 0.005 2
165 220 25 GLY HA3 H 4.0220 0.005 2
166 220 25 GLY CA C 46.2400 0.1 1
167 220 25 GLY N N 110.4550 0.1 1
168 221 26 GLY H H 8.0580 0.005 1
169 221 26 GLY HA2 H 3.6450 0.005 1
170 221 26 GLY HA3 H 4.6630 0.005 1
171 221 26 GLY CA C 43.5400 0.1 1
172 221 26 GLY N N 108.2040 0.1 1
173 222 27 PRO HA H 4.6380 0.005 1
174 222 27 PRO HB2 H 2.2060 0.005 2
175 222 27 PRO HB3 H 1.8730 0.005 2
176 222 27 PRO HG2 H 1.9220 0.005 2
177 222 27 PRO HG3 H 1.9220 0.005 2
178 222 27 PRO CA C 62.3900 0.1 1
179 222 27 PRO CB C 33.0000 0.1 1
180 222 27 PRO CD C 49.8970 0.1 1
181 223 28 ILE H H 9.2630 0.005 1
182 223 28 ILE HA H 4.0390 0.005 1
183 223 28 ILE HB H 2.0430 0.005 1
184 223 28 ILE HG12 H 1.5980 0.005 1
185 223 28 ILE HG13 H 1.3160 0.005 1
186 223 28 ILE HG2 H 0.6580 0.005 1
187 223 28 ILE HD1 H 0.7860 0.005 1
188 223 28 ILE CA C 59.6900 0.1 1
189 223 28 ILE CB C 36.5100 0.1 1
190 223 28 ILE CG1 C 27.2600 0.1 1
191 223 28 ILE CG2 C 17.8850 0.1 1
192 223 28 ILE CD1 C 10.3860 0.1 1
193 223 28 ILE N N 123.0890 0.1 1
194 224 29 ALA H H 8.2630 0.005 1
195 224 29 ALA HA H 4.7810 0.005 1
196 224 29 ALA HB H 1.4110 0.005 1
197 224 29 ALA CA C 51.7790 0.1 1
198 224 29 ALA CB C 21.2400 0.1 1
199 224 29 ALA N N 130.4260 0.1 1
200 225 30 PHE H H 8.4110 0.005 1
201 225 30 PHE HA H 4.7000 0.005 1
202 225 30 PHE HB2 H 2.8650 0.005 2
203 225 30 PHE HB3 H 2.8650 0.005 2
204 225 30 PHE HD1 H 7.1180 0.005 1
205 225 30 PHE HD2 H 7.1180 0.005 1
206 225 30 PHE HE1 H 7.0500 0.005 1
207 225 30 PHE HE2 H 7.0500 0.005 1
208 225 30 PHE CA C 56.7610 0.1 1
209 225 30 PHE CB C 41.9670 0.1 1
210 225 30 PHE CD1 C 131.4400 0.1 1
211 225 30 PHE CD2 C 131.4400 0.1 1
212 225 30 PHE N N 117.8630 0.1 1
213 226 31 GLY H H 8.7640 0.005 1
214 226 31 GLY HA2 H 3.9560 0.005 1
215 226 31 GLY HA3 H 4.2090 0.005 1
216 226 31 GLY CA C 44.4860 0.1 1
217 226 31 GLY N N 107.0330 0.1 1
218 227 32 ASN HD21 H 6.9630 0.005 2
219 227 32 ASN HD22 H 7.6440 0.005 2
220 227 32 ASN ND2 N 112.7670 0.1 1
221 228 33 ASP H H 8.4230 0.005 1
222 228 33 ASP HA H 4.4800 0.005 1
223 228 33 ASP HB2 H 2.8790 0.005 2
224 228 33 ASP HB3 H 2.7400 0.005 2
225 228 33 ASP CA C 54.2100 0.1 1
226 228 33 ASP CB C 40.3800 0.1 1
227 228 33 ASP N N 117.0580 0.1 1
228 229 34 GLY H H 8.3510 0.005 1
229 229 34 GLY HA2 H 3.7230 0.005 2
230 229 34 GLY HA3 H 4.0720 0.005 2
231 229 34 GLY CA C 45.7470 0.1 1
232 229 34 GLY N N 108.1710 0.1 1
233 230 35 ALA H H 8.3680 0.005 1
234 230 35 ALA HA H 4.4770 0.005 1
235 230 35 ALA HB H 1.3610 0.005 1
236 230 35 ALA CA C 52.9240 0.1 1
237 230 35 ALA CB C 20.1280 0.1 1
238 230 35 ALA N N 123.3750 0.1 1
239 231 36 SER H H 8.3170 0.005 1
240 231 36 SER HA H 4.6970 0.005 1
241 231 36 SER HB2 H 3.9090 0.005 1
242 231 36 SER HB3 H 3.8760 0.005 1
243 231 36 SER CA C 57.1500 0.1 1
244 231 36 SER CB C 64.7670 0.1 1
245 231 36 SER N N 112.8790 0.1 1
246 232 37 LEU H H 8.3130 0.005 1
247 232 37 LEU HA H 3.7740 0.005 1
248 232 37 LEU HB2 H 1.0550 0.005 1
249 232 37 LEU HB3 H 0.7390 0.005 1
250 232 37 LEU HG H 1.1060 0.005 1
251 232 37 LEU HD1 H 0.0910 0.005 1
252 232 37 LEU HD2 H -0.1220 0.005 1
253 232 37 LEU CA C 54.2470 0.1 1
254 232 37 LEU CB C 42.0200 0.1 1
255 232 37 LEU CG C 26.4490 0.1 1
256 232 37 LEU CD1 C 25.0300 0.1 1
257 232 37 LEU CD2 C 23.7440 0.1 1
258 232 37 LEU N N 123.4660 0.1 1
259 233 38 ILE H H 7.4570 0.005 1
260 233 38 ILE HA H 4.4450 0.005 1
261 233 38 ILE HB H 1.9910 0.005 1
262 233 38 ILE HG12 H 1.2580 0.005 1
263 233 38 ILE HG13 H 1.2080 0.005 1
264 233 38 ILE HG2 H 0.8570 0.005 1
265 233 38 ILE HD1 H 0.8800 0.005 1
266 233 38 ILE CA C 59.9670 0.1 1
267 233 38 ILE CB C 36.6660 0.1 1
268 233 38 ILE CG1 C 25.9700 0.1 1
269 233 38 ILE CG2 C 18.0000 0.1 1
270 233 38 ILE CD1 C 13.7800 0.1 1
271 233 38 ILE N N 118.4050 0.1 1
272 234 39 PRO HA H 4.1750 0.005 1
273 234 39 PRO HB2 H 2.3900 0.005 2
274 234 39 PRO HB3 H 2.3900 0.005 2
275 234 39 PRO HG2 H 1.9840 0.005 2
276 234 39 PRO HG3 H 1.9840 0.005 2
277 234 39 PRO HD2 H 3.9200 0.005 1
278 234 39 PRO HD3 H 3.7900 0.005 1
279 234 39 PRO CA C 66.4000 0.1 1
280 234 39 PRO CB C 31.5900 0.1 1
281 235 40 ALA H H 8.2310 0.005 1
282 235 40 ALA HA H 4.1610 0.005 1
283 235 40 ALA HB H 1.3970 0.005 1
284 235 40 ALA CA C 54.3200 0.1 1
285 235 40 ALA CB C 18.6440 0.1 1
286 235 40 ALA N N 117.8390 0.1 1
287 236 41 ALA H H 8.0890 0.005 1
288 236 41 ALA HA H 4.0470 0.005 1
289 236 41 ALA HB H 1.2640 0.005 1
290 236 41 ALA CA C 54.0300 0.1 1
291 236 41 ALA CB C 19.0700 0.1 1
292 236 41 ALA N N 118.1790 0.1 1
293 237 42 TYR H H 7.2160 0.005 1
294 237 42 TYR HA H 3.6550 0.005 1
295 237 42 TYR HB2 H 2.9840 0.005 2
296 237 42 TYR HB3 H 2.8370 0.005 2
297 237 42 TYR HD1 H 6.6390 0.005 1
298 237 42 TYR HD2 H 6.6390 0.005 1
299 237 42 TYR HE1 H 6.4950 0.005 1
300 237 42 TYR HE2 H 6.4950 0.005 1
301 237 42 TYR CA C 62.6690 0.1 1
302 237 42 TYR CB C 36.6260 0.1 1
303 237 42 TYR CD1 C 132.4900 0.1 1
304 237 42 TYR CD2 C 132.4900 0.1 1
305 237 42 TYR CE1 C 118.3100 0.1 1
306 237 42 TYR CE2 C 118.3100 0.1 1
307 237 42 TYR N N 116.3700 0.1 1
308 238 43 GLU H H 7.7790 0.005 1
309 238 43 GLU HA H 4.1800 0.005 1
310 238 43 GLU HB2 H 2.0890 0.005 2
311 238 43 GLU HB3 H 2.0890 0.005 2
312 238 43 GLU HG2 H 2.3490 0.005 2
313 238 43 GLU HG3 H 2.3490 0.005 2
314 238 43 GLU CA C 59.1800 0.1 1
315 238 43 GLU CB C 29.0000 0.1 1
316 238 43 GLU CG C 35.9300 0.1 1
317 238 43 GLU N N 117.7170 0.1 1
318 239 44 ILE H H 7.0760 0.005 1
319 239 44 ILE HA H 3.5420 0.005 1
320 239 44 ILE HB H 1.9620 0.005 1
321 239 44 ILE HG12 H 1.7650 0.005 1
322 239 44 ILE HG13 H 1.2140 0.005 1
323 239 44 ILE HG2 H 0.8250 0.005 1
324 239 44 ILE HD1 H 0.8940 0.005 1
325 239 44 ILE CA C 65.4600 0.1 1
326 239 44 ILE CB C 38.6000 0.1 1
327 239 44 ILE CG1 C 29.2500 0.1 1
328 239 44 ILE CG2 C 18.8200 0.1 1
329 239 44 ILE CD1 C 13.0800 0.1 1
330 239 44 ILE N N 118.6570 0.1 1
331 240 45 LEU H H 8.5200 0.005 1
332 240 45 LEU HA H 3.9530 0.005 1
333 240 45 LEU HB2 H 2.1520 0.005 1
334 240 45 LEU HB3 H 1.3910 0.005 1
335 240 45 LEU HG H 1.8720 0.005 1
336 240 45 LEU HD1 H 0.7950 0.005 1
337 240 45 LEU HD2 H 0.6200 0.005 1
338 240 45 LEU CA C 57.7300 0.1 1
339 240 45 LEU CB C 41.7900 0.1 1
340 240 45 LEU CG C 26.6600 0.1 1
341 240 45 LEU CD1 C 22.9240 0.1 1
342 240 45 LEU CD2 C 26.7300 0.1 1
343 240 45 LEU N N 119.1110 0.1 1
344 241 46 ASN H H 8.7470 0.005 1
345 241 46 ASN HA H 4.4000 0.005 1
346 241 46 ASN HB2 H 3.2950 0.005 2
347 241 46 ASN HB3 H 3.0490 0.005 2
348 241 46 ASN HD21 H 6.9650 0.005 2
349 241 46 ASN HD22 H 7.5810 0.005 2
350 241 46 ASN CA C 56.2000 0.1 1
351 241 46 ASN CB C 36.7500 0.1 1
352 241 46 ASN N N 121.1460 0.1 1
353 241 46 ASN ND2 N 109.0310 0.1 1
354 242 47 ARG H H 7.6140 0.005 1
355 242 47 ARG HA H 4.2740 0.005 1
356 242 47 ARG HB2 H 2.1680 0.005 2
357 242 47 ARG HB3 H 1.8590 0.005 2
358 242 47 ARG HG2 H 2.0000 0.005 2
359 242 47 ARG HG3 H 1.8000 0.005 2
360 242 47 ARG CA C 59.2800 0.1 1
361 242 47 ARG CB C 31.2400 0.1 1
362 242 47 ARG N N 120.1680 0.1 1
363 243 48 VAL H H 8.6270 0.005 1
364 243 48 VAL HA H 3.3650 0.005 1
365 243 48 VAL HB H 2.3280 0.005 1
366 243 48 VAL HG1 H 0.8750 0.005 2
367 243 48 VAL HG2 H 1.0210 0.005 2
368 243 48 VAL CA C 67.4900 0.1 1
369 243 48 VAL CB C 31.1040 0.1 1
370 243 48 VAL CG1 C 21.4900 0.1 1
371 243 48 VAL CG2 C 24.0600 0.1 1
372 243 48 VAL N N 121.7170 0.1 1
373 244 49 ALA H H 8.8800 0.005 1
374 244 49 ALA HA H 3.7970 0.005 1
375 244 49 ALA HB H 1.5210 0.005 1
376 244 49 ALA CA C 55.5000 0.1 1
377 244 49 ALA CB C 17.9920 0.1 1
378 244 49 ALA N N 120.9530 0.1 1
379 245 50 ASP H H 7.6100 0.005 1
380 245 50 ASP HA H 4.3640 0.005 1
381 245 50 ASP HB2 H 2.8110 0.005 2
382 245 50 ASP HB3 H 2.6630 0.005 2
383 245 50 ASP CA C 57.8400 0.1 1
384 245 50 ASP CB C 40.2000 0.1 1
385 245 50 ASP N N 116.5270 0.1 1
386 246 51 LYS H H 7.5620 0.005 1
387 246 51 LYS HA H 4.0980 0.005 1
388 246 51 LYS HB2 H 2.0540 0.005 2
389 246 51 LYS HB3 H 1.6790 0.005 2
390 246 51 LYS HG2 H 1.6430 0.005 2
391 246 51 LYS HG3 H 1.3630 0.005 2
392 246 51 LYS HD2 H 1.6570 0.005 2
393 246 51 LYS HD3 H 1.4940 0.005 2
394 246 51 LYS HE2 H 2.9500 0.005 1
395 246 51 LYS HE3 H 2.8200 0.005 1
396 246 51 LYS CA C 58.1000 0.1 1
397 246 51 LYS CB C 31.3890 0.1 1
398 246 51 LYS CG C 24.7900 0.1 1
399 246 51 LYS CD C 28.0800 0.1 1
400 246 51 LYS CE C 42.0200 0.1 1
401 246 51 LYS N N 119.0990 0.1 1
402 247 52 LEU H H 8.0430 0.005 1
403 247 52 LEU HA H 3.9320 0.005 1
404 247 52 LEU HB2 H 1.8360 0.005 1
405 247 52 LEU HB3 H 1.5370 0.005 1
406 247 52 LEU HG H 1.8160 0.005 1
407 247 52 LEU HD1 H 0.7620 0.005 1
408 247 52 LEU HD2 H 0.7030 0.005 1
409 247 52 LEU CA C 57.4500 0.1 1
410 247 52 LEU CB C 41.2000 0.1 1
411 247 52 LEU CG C 26.6800 0.1 1
412 247 52 LEU CD1 C 26.9000 0.1 1
413 247 52 LEU CD2 C 22.6900 0.1 1
414 247 52 LEU N N 117.7240 0.1 1
415 248 53 LYS H H 8.6080 0.005 1
416 248 53 LYS HA H 3.9120 0.005 1
417 248 53 LYS HB2 H 1.8110 0.005 1
418 248 53 LYS HB3 H 1.7350 0.005 1
419 248 53 LYS HG2 H 1.5810 0.005 2
420 248 53 LYS HG3 H 1.3870 0.005 2
421 248 53 LYS HE2 H 2.8770 0.005 2
422 248 53 LYS HE3 H 2.8770 0.005 2
423 248 53 LYS CA C 59.1300 0.1 1
424 248 53 LYS CB C 32.1800 0.1 1
425 248 53 LYS CG C 25.3900 0.1 1
426 248 53 LYS N N 118.2140 0.1 1
427 249 54 ALA H H 6.9870 0.005 1
428 249 54 ALA HA H 4.2880 0.005 1
429 249 54 ALA HB H 1.5410 0.005 1
430 249 54 ALA CA C 52.8000 0.1 1
431 249 54 ALA CB C 18.7280 0.1 1
432 249 54 ALA N N 118.1860 0.1 1
433 250 55 CYS H H 7.3780 0.005 1
434 250 55 CYS HA H 5.1410 0.005 1
435 250 55 CYS HB2 H 3.2260 0.005 1
436 250 55 CYS HB3 H 2.6400 0.005 1
437 250 55 CYS CA C 52.6880 0.1 1
438 250 55 CYS CB C 41.7970 0.1 1
439 250 55 CYS N N 116.7960 0.1 1
440 251 56 PRO HA H 4.3750 0.005 1
441 251 56 PRO HB2 H 2.3000 0.005 2
442 251 56 PRO HB3 H 2.0000 0.005 2
443 251 56 PRO HD2 H 3.7200 0.005 2
444 251 56 PRO HD3 H 3.4300 0.005 2
445 251 56 PRO CA C 64.5200 0.1 1
446 251 56 PRO CB C 31.6800 0.1 1
447 251 56 PRO CD C 50.4600 0.1 1
448 252 57 ASP H H 8.3750 0.005 1
449 252 57 ASP HA H 4.7760 0.005 1
450 252 57 ASP HB2 H 2.7550 0.005 1
451 252 57 ASP HB3 H 2.5790 0.005 1
452 252 57 ASP CA C 54.4700 0.1 1
453 252 57 ASP CB C 40.9690 0.1 1
454 252 57 ASP N N 115.3180 0.1 1
455 253 58 ALA H H 8.1920 0.005 1
456 253 58 ALA HA H 4.2620 0.005 1
457 253 58 ALA HB H 1.3680 0.005 1
458 253 58 ALA CA C 52.7580 0.1 1
459 253 58 ALA CB C 19.3780 0.1 1
460 253 58 ALA N N 123.6180 0.1 1
461 254 59 ARG H H 8.5210 0.005 1
462 254 59 ARG HA H 5.0670 0.005 1
463 254 59 ARG HB2 H 1.8500 0.005 2
464 254 59 ARG HB3 H 1.5260 0.005 2
465 254 59 ARG HD2 H 2.9050 0.005 1
466 254 59 ARG HD3 H 2.9050 0.005 1
467 254 59 ARG CA C 54.2380 0.1 1
468 254 59 ARG CB C 32.1840 0.1 1
469 254 59 ARG CD C 42.9870 0.1 1
470 254 59 ARG N N 121.1120 0.1 1
471 255 60 VAL H H 8.5320 0.005 1
472 255 60 VAL HA H 5.1650 0.005 1
473 255 60 VAL HB H 1.9330 0.005 1
474 255 60 VAL HG1 H 0.7760 0.005 2
475 255 60 VAL HG2 H 0.7850 0.005 2
476 255 60 VAL CA C 58.8240 0.1 1
477 255 60 VAL CB C 35.8700 0.1 1
478 255 60 VAL CG1 C 22.4700 0.1 1
479 255 60 VAL CG2 C 20.3600 0.1 1
480 255 60 VAL N N 114.6410 0.1 1
481 256 61 THR H H 9.6370 0.005 1
482 256 61 THR HA H 4.8580 0.005 1
483 256 61 THR HB H 3.8880 0.005 1
484 256 61 THR HG2 H 1.0370 0.005 1
485 256 61 THR CA C 61.9240 0.1 1
486 256 61 THR CB C 70.4170 0.1 1
487 256 61 THR CG2 C 22.0700 0.1 1
488 256 61 THR N N 123.1800 0.1 1
489 257 62 ILE H H 9.2400 0.005 1
490 257 62 ILE HA H 4.5300 0.005 1
491 257 62 ILE HB H 2.1290 0.005 1
492 257 62 ILE HG12 H 1.3120 0.005 1
493 257 62 ILE HG13 H 1.3120 0.005 1
494 257 62 ILE HG2 H 0.9280 0.005 1
495 257 62 ILE HD1 H 0.6680 0.005 1
496 257 62 ILE CA C 58.7110 0.1 1
497 257 62 ILE CB C 36.4000 0.1 1
498 257 62 ILE CG1 C 27.1400 0.1 1
499 257 62 ILE CG2 C 19.5200 0.1 1
500 257 62 ILE CD1 C 12.1300 0.1 1
501 257 62 ILE N N 127.3850 0.1 1
502 258 63 ASN H H 8.8260 0.005 1
503 258 63 ASN HA H 5.4900 0.005 1
504 258 63 ASN HB2 H 2.6840 0.005 2
505 258 63 ASN HB3 H 2.0830 0.005 2
506 258 63 ASN HD21 H 6.3700 0.005 2
507 258 63 ASN HD22 H 6.9260 0.005 2
508 258 63 ASN CA C 51.6000 0.1 1
509 258 63 ASN CB C 41.3200 0.1 1
510 258 63 ASN N N 125.7980 0.1 1
511 258 63 ASN ND2 N 108.5820 0.1 1
512 259 64 GLY H H 9.2470 0.005 1
513 259 64 GLY HA2 H 3.8180 0.005 2
514 259 64 GLY HA3 H 4.9400 0.005 2
515 259 64 GLY CA C 44.1300 0.1 1
516 259 64 GLY N N 109.8820 0.1 1
517 260 65 TYR H H 8.5660 0.005 1
518 260 65 TYR HA H 5.5420 0.005 1
519 260 65 TYR HB2 H 3.5720 0.005 2
520 260 65 TYR HB3 H 2.7630 0.005 2
521 260 65 TYR CA C 57.1400 0.1 1
522 260 65 TYR CB C 44.7180 0.1 1
523 260 65 TYR N N 118.5930 0.1 1
524 261 66 THR H H 8.4300 0.005 1
525 261 66 THR HA H 4.3280 0.005 1
526 261 66 THR HB H 3.9460 0.005 1
527 261 66 THR HG2 H 1.2230 0.005 1
528 261 66 THR CA C 59.7200 0.1 1
529 261 66 THR CB C 71.4800 0.1 1
530 261 66 THR CG2 C 19.9700 0.1 1
531 261 66 THR N N 112.2420 0.1 1
532 262 67 ASP H H 7.7110 0.005 1
533 262 67 ASP HA H 4.7110 0.005 1
534 262 67 ASP HB2 H 3.0590 0.005 2
535 262 67 ASP HB3 H 3.0590 0.005 2
536 262 67 ASP CA C 54.0830 0.1 1
537 262 67 ASP CB C 41.5650 0.1 1
538 262 67 ASP N N 117.3330 0.1 1
539 263 68 ASN H H 7.0690 0.005 1
540 263 68 ASN HA H 4.7840 0.005 1
541 263 68 ASN HB2 H 3.2360 0.005 2
542 263 68 ASN HB3 H 2.6550 0.005 2
543 263 68 ASN HD21 H 6.7280 0.005 2
544 263 68 ASN HD22 H 7.5430 0.005 2
545 263 68 ASN CA C 52.2090 0.1 1
546 263 68 ASN CB C 38.1500 0.1 1
547 263 68 ASN N N 113.6540 0.1 1
548 263 68 ASN ND2 N 109.4630 0.1 1
549 264 69 THR H H 8.3150 0.005 1
550 264 69 THR HA H 4.0930 0.005 1
551 264 69 THR HB H 4.2060 0.005 1
552 264 69 THR HG2 H 1.2170 0.005 1
553 264 69 THR CA C 63.3630 0.1 1
554 264 69 THR CB C 69.8000 0.1 1
555 264 69 THR CG2 C 21.9200 0.1 1
556 264 69 THR N N 114.4600 0.1 1
557 265 70 GLY H H 8.2760 0.005 1
558 265 70 GLY HA2 H 3.9630 0.005 2
559 265 70 GLY HA3 H 3.9630 0.005 2
560 265 70 GLY CA C 44.4690 0.1 1
561 265 70 GLY N N 109.0940 0.1 1
562 266 71 SER H H 7.8580 0.005 1
563 266 71 SER HA H 4.6300 0.005 1
564 266 71 SER HB2 H 4.0460 0.005 1
565 266 71 SER HB3 H 3.8780 0.005 1
566 266 71 SER CA C 57.0200 0.1 1
567 266 71 SER CB C 64.3400 0.1 1
568 266 71 SER N N 114.6860 0.1 1
569 268 73 GLY H H 8.4210 0.005 1
570 268 73 GLY HA2 H 3.8430 0.005 2
571 268 73 GLY HA3 H 3.8430 0.005 2
572 268 73 GLY CA C 46.2400 0.1 1
573 268 73 GLY N N 104.8510 0.1 1
574 269 74 ILE H H 7.2440 0.005 1
575 269 74 ILE HA H 4.2160 0.005 1
576 269 74 ILE HB H 1.9700 0.005 1
577 269 74 ILE HG12 H 1.4910 0.005 2
578 269 74 ILE HG13 H 1.2560 0.005 2
579 269 74 ILE HG2 H 0.9230 0.005 1
580 269 74 ILE HD1 H 0.8460 0.005 1
581 269 74 ILE CA C 61.6000 0.1 1
582 269 74 ILE CB C 38.6200 0.1 1
583 269 74 ILE CG1 C 27.9600 0.1 1
584 269 74 ILE CG2 C 17.4100 0.1 1
585 269 74 ILE CD1 C 12.1400 0.1 1
586 269 74 ILE N N 118.4870 0.1 1
587 270 75 ASN H H 8.4630 0.005 1
588 270 75 ASN HA H 4.5420 0.005 1
589 270 75 ASN HB2 H 2.7940 0.005 1
590 270 75 ASN HB3 H 2.7940 0.005 1
591 270 75 ASN HD21 H 6.8640 0.005 2
592 270 75 ASN HD22 H 7.3960 0.005 2
593 270 75 ASN CA C 55.5300 0.1 1
594 270 75 ASN CB C 38.2700 0.1 1
595 270 75 ASN N N 120.2610 0.1 1
596 270 75 ASN ND2 N 111.1540 0.1 1
597 271 76 ILE H H 8.6370 0.005 1
598 271 76 ILE HA H 3.5940 0.005 1
599 271 76 ILE HB H 2.0740 0.005 1
600 271 76 ILE HG12 H 1.7670 0.005 1
601 271 76 ILE HG13 H 0.9250 0.005 1
602 271 76 ILE HG2 H 0.8660 0.005 1
603 271 76 ILE HD1 H 0.8460 0.005 1
604 271 76 ILE CA C 67.4250 0.1 1
605 271 76 ILE CB C 35.1600 0.1 1
606 271 76 ILE CG1 C 29.6000 0.1 1
607 271 76 ILE CG2 C 16.1200 0.1 1
608 271 76 ILE CD1 C 12.2600 0.1 1
609 271 76 ILE N N 120.3870 0.1 1
610 272 77 PRO HA H 4.4550 0.005 1
611 272 77 PRO HB2 H 2.3000 0.005 2
612 272 77 PRO HB3 H 1.9450 0.005 2
613 272 77 PRO HG2 H 2.0850 0.005 2
614 272 77 PRO HG3 H 2.0850 0.005 2
615 272 77 PRO HD2 H 3.5300 0.005 1
616 272 77 PRO HD3 H 3.5300 0.005 1
617 272 77 PRO CA C 65.9300 0.1 1
618 272 77 PRO CB C 30.3000 0.1 1
619 272 77 PRO CG C 27.0200 0.1 1
620 272 77 PRO CD C 49.9900 0.1 1
621 273 78 LEU H H 7.7490 0.005 1
622 273 78 LEU HA H 4.1780 0.005 1
623 273 78 LEU HB2 H 1.7530 0.005 2
624 273 78 LEU HB3 H 1.6130 0.005 2
625 273 78 LEU HG H 1.5200 0.005 1
626 273 78 LEU HD1 H 0.8830 0.005 1
627 273 78 LEU HD2 H 0.8800 0.005 1
628 273 78 LEU CA C 58.3100 0.1 1
629 273 78 LEU CB C 42.3700 0.1 1
630 273 78 LEU CG C 27.1400 0.1 1
631 273 78 LEU CD1 C 24.0900 0.1 1
632 273 78 LEU CD2 C 24.0900 0.1 1
633 273 78 LEU N N 119.5010 0.1 1
634 274 79 SER H H 8.4070 0.005 1
635 274 79 SER HA H 3.7590 0.005 1
636 274 79 SER HB2 H 3.8500 0.005 2
637 274 79 SER HB3 H 3.8500 0.005 2
638 274 79 SER HG H 5.6020 0.005 1
639 274 79 SER CA C 62.0660 0.1 1
640 274 79 SER N N 115.3060 0.1 1
641 275 80 ALA H H 8.0980 0.005 1
642 275 80 ALA HA H 3.8580 0.005 1
643 275 80 ALA HB H 1.5010 0.005 1
644 275 80 ALA CA C 54.7800 0.1 1
645 275 80 ALA CB C 17.4770 0.1 1
646 275 80 ALA N N 127.5320 0.1 1
647 276 81 GLN H H 8.0440 0.005 1
648 276 81 GLN HA H 4.0720 0.005 1
649 276 81 GLN HB2 H 2.2600 0.005 2
650 276 81 GLN HB3 H 2.2600 0.005 2
651 276 81 GLN HG2 H 2.4800 0.005 2
652 276 81 GLN HG3 H 2.4200 0.005 2
653 276 81 GLN HE21 H 6.8200 0.005 2
654 276 81 GLN HE22 H 7.3520 0.005 2
655 276 81 GLN CA C 58.5340 0.1 1
656 276 81 GLN CB C 27.6010 0.1 1
657 276 81 GLN CG C 33.4310 0.1 1
658 276 81 GLN N N 120.1440 0.1 1
659 276 81 GLN NE2 N 110.8230 0.1 1
660 277 82 ARG H H 7.4840 0.005 1
661 277 82 ARG HA H 3.8540 0.005 1
662 277 82 ARG HB2 H 1.5960 0.005 1
663 277 82 ARG HB3 H 1.2500 0.005 1
664 277 82 ARG HG2 H 1.3480 0.005 1
665 277 82 ARG HG3 H 0.8630 0.005 1
666 277 82 ARG HD2 H 2.6300 0.005 1
667 277 82 ARG HD3 H 1.8600 0.005 1
668 277 82 ARG CA C 60.0700 0.1 1
669 277 82 ARG CB C 28.7080 0.1 1
670 277 82 ARG CG C 29.4900 0.1 1
671 277 82 ARG CD C 42.9600 0.1 1
672 277 82 ARG N N 118.4590 0.1 1
673 278 83 ALA H H 7.3560 0.005 1
674 278 83 ALA HA H 3.9860 0.005 1
675 278 83 ALA HB H 1.3590 0.005 1
676 278 83 ALA CA C 55.0130 0.1 1
677 278 83 ALA CB C 18.0920 0.1 1
678 278 83 ALA N N 119.1200 0.1 1
679 279 84 LYS H H 8.1560 0.005 1
680 279 84 LYS HA H 3.9620 0.005 1
681 279 84 LYS HB2 H 2.0750 0.005 2
682 279 84 LYS HB3 H 1.8830 0.005 2
683 279 84 LYS HG2 H 1.5050 0.005 1
684 279 84 LYS HG3 H 1.5050 0.005 1
685 279 84 LYS CA C 59.2010 0.1 1
686 279 84 LYS CB C 32.4100 0.1 1
687 279 84 LYS CG C 25.1500 0.1 1
688 279 84 LYS N N 119.1870 0.1 1
689 280 85 ILE H H 7.8530 0.005 1
690 280 85 ILE HA H 3.9610 0.005 1
691 280 85 ILE HB H 2.2470 0.005 1
692 280 85 ILE HG12 H 1.9440 0.005 2
693 280 85 ILE HG13 H 1.3420 0.005 2
694 280 85 ILE HG2 H 1.0510 0.005 1
695 280 85 ILE HD1 H 1.0720 0.005 1
696 280 85 ILE CA C 65.0180 0.1 1
697 280 85 ILE CB C 38.2700 0.1 1
698 280 85 ILE CG1 C 29.2500 0.1 1
699 280 85 ILE CG2 C 16.8000 0.1 1
700 280 85 ILE CD1 C 13.9000 0.1 1
701 280 85 ILE N N 118.9930 0.1 1
702 281 86 VAL H H 7.1280 0.005 1
703 281 86 VAL HA H 3.6180 0.005 1
704 281 86 VAL HB H 2.2930 0.005 1
705 281 86 VAL HG1 H 1.1400 0.005 2
706 281 86 VAL HG2 H 0.9680 0.005 2
707 281 86 VAL CA C 66.6770 0.1 1
708 281 86 VAL CB C 31.3160 0.1 1
709 281 86 VAL CG1 C 24.2780 0.1 1
710 281 86 VAL CG2 C 21.3000 0.1 1
711 281 86 VAL N N 119.3580 0.1 1
712 282 87 ALA H H 8.6400 0.005 1
713 282 87 ALA HA H 3.8520 0.005 1
714 282 87 ALA HB H 1.4600 0.005 1
715 282 87 ALA CA C 56.0700 0.1 1
716 282 87 ALA CB C 19.5350 0.1 1
717 282 87 ALA N N 123.4080 0.1 1
718 283 88 ASP H H 9.2710 0.005 1
719 283 88 ASP HA H 4.2780 0.005 1
720 283 88 ASP HB2 H 2.8550 0.005 2
721 283 88 ASP HB3 H 2.5920 0.005 2
722 283 88 ASP CA C 57.0200 0.1 1
723 283 88 ASP CB C 39.6830 0.1 1
724 283 88 ASP N N 116.3020 0.1 1
725 284 89 TYR H H 7.7290 0.005 1
726 284 89 TYR HA H 4.1750 0.005 1
727 284 89 TYR HB2 H 3.2140 0.005 2
728 284 89 TYR HB3 H 3.1220 0.005 2
729 284 89 TYR HD1 H 6.9480 0.005 1
730 284 89 TYR HD2 H 6.9480 0.005 1
731 284 89 TYR HE1 H 6.8170 0.005 1
732 284 89 TYR HE2 H 6.8170 0.005 1
733 284 89 TYR CA C 62.4100 0.1 1
734 284 89 TYR CB C 38.3900 0.1 1
735 284 89 TYR CD1 C 132.6100 0.1 1
736 284 89 TYR CD2 C 132.6100 0.1 1
737 284 89 TYR N N 122.8370 0.1 1
738 285 90 LEU H H 8.1840 0.005 1
739 285 90 LEU HA H 3.8250 0.005 1
740 285 90 LEU HB2 H 2.2030 0.005 1
741 285 90 LEU HB3 H 1.0410 0.005 1
742 285 90 LEU HG H 2.1400 0.005 1
743 285 90 LEU HD1 H 0.7430 0.005 1
744 285 90 LEU HD2 H 0.8930 0.005 1
745 285 90 LEU CA C 58.3340 0.1 1
746 285 90 LEU CB C 41.0800 0.1 1
747 285 90 LEU CG C 26.4000 0.1 1
748 285 90 LEU CD1 C 26.0880 0.1 1
749 285 90 LEU CD2 C 23.8600 0.1 1
750 285 90 LEU N N 117.8710 0.1 1
751 286 91 VAL H H 8.4510 0.005 1
752 286 91 VAL HA H 4.3650 0.005 1
753 286 91 VAL HB H 2.0950 0.005 1
754 286 91 VAL HG1 H 1.0480 0.005 1
755 286 91 VAL HG2 H 0.9650 0.005 1
756 286 91 VAL CA C 65.2900 0.1 1
757 286 91 VAL CB C 31.8300 0.1 1
758 286 91 VAL CG1 C 23.5100 0.1 1
759 286 91 VAL CG2 C 21.1500 0.1 1
760 286 91 VAL N N 121.0200 0.1 1
761 287 92 ALA H H 7.9990 0.005 1
762 287 92 ALA HA H 4.0970 0.005 1
763 287 92 ALA HB H 1.3990 0.005 1
764 287 92 ALA CA C 54.6560 0.1 1
765 287 92 ALA CB C 16.9850 0.1 1
766 287 92 ALA N N 125.6050 0.1 1
767 288 93 ARG H H 7.4200 0.005 1
768 288 93 ARG HA H 4.1870 0.005 1
769 288 93 ARG HB2 H 2.1510 0.005 2
770 288 93 ARG HB3 H 1.7700 0.005 2
771 288 93 ARG HG2 H 1.5140 0.005 2
772 288 93 ARG HG3 H 1.3600 0.005 2
773 288 93 ARG HD2 H 2.8200 0.005 2
774 288 93 ARG HD3 H 2.9200 0.005 2
775 288 93 ARG CA C 53.5100 0.1 1
776 288 93 ARG CB C 28.9000 0.1 1
777 288 93 ARG N N 114.8680 0.1 1
778 289 94 GLY H H 7.9110 0.005 1
779 289 94 GLY HA2 H 3.6690 0.005 2
780 289 94 GLY HA3 H 4.3000 0.005 2
781 289 94 GLY CA C 45.1700 0.1 1
782 289 94 GLY N N 105.9020 0.1 1
783 290 95 VAL H H 7.9410 0.005 1
784 290 95 VAL HA H 3.6700 0.005 1
785 290 95 VAL HB H 1.4910 0.005 1
786 290 95 VAL HG1 H 0.9420 0.005 2
787 290 95 VAL HG2 H 0.8820 0.005 2
788 290 95 VAL CA C 62.9780 0.1 1
789 290 95 VAL CB C 31.2400 0.1 1
790 290 95 VAL CG1 C 24.2660 0.1 1
791 290 95 VAL CG2 C 21.4300 0.1 1
792 290 95 VAL N N 123.8630 0.1 1
793 291 96 ALA H H 8.3360 0.005 1
794 291 96 ALA HA H 4.1130 0.005 1
795 291 96 ALA HB H 1.2070 0.005 1
796 291 96 ALA CA C 52.8070 0.1 1
797 291 96 ALA CB C 18.4900 0.1 1
798 291 96 ALA N N 130.7790 0.1 1
799 292 97 GLY H H 8.9000 0.005 1
800 292 97 GLY HA2 H 3.6670 0.005 2
801 292 97 GLY HA3 H 3.9280 0.005 2
802 292 97 GLY CA C 47.5610 0.1 1
803 292 97 GLY N N 112.0460 0.1 1
804 293 98 ASP H H 8.3930 0.005 1
805 293 98 ASP HA H 4.6580 0.005 1
806 293 98 ASP HB2 H 2.9540 0.005 2
807 293 98 ASP HB3 H 2.7140 0.005 2
808 293 98 ASP CA C 54.2100 0.1 1
809 293 98 ASP CB C 38.7510 0.1 1
810 293 98 ASP N N 115.7540 0.1 1
811 294 99 HIS H H 8.2860 0.005 1
812 294 99 HIS HA H 4.6390 0.005 1
813 294 99 HIS HB2 H 4.0130 0.005 2
814 294 99 HIS HB3 H 3.2800 0.005 2
815 294 99 HIS HD2 H 7.2100 0.005 1
816 294 99 HIS HE1 H 8.5200 0.005 1
817 294 99 HIS CA C 55.2950 0.1 1
818 294 99 HIS CB C 28.1900 0.1 1
819 294 99 HIS N N 117.9980 0.1 1
820 295 100 ILE H H 7.4280 0.005 1
821 295 100 ILE HA H 4.8130 0.005 1
822 295 100 ILE HB H 1.7190 0.005 1
823 295 100 ILE HG12 H 1.6370 0.005 1
824 295 100 ILE HG13 H 1.6370 0.005 1
825 295 100 ILE HG2 H 0.7630 0.005 1
826 295 100 ILE HD1 H 0.7190 0.005 1
827 295 100 ILE CA C 60.3000 0.1 1
828 295 100 ILE CB C 41.2600 0.1 1
829 295 100 ILE CG2 C 18.3500 0.1 1
830 295 100 ILE CD1 C 15.4070 0.1 1
831 295 100 ILE N N 118.6490 0.1 1
832 296 101 ALA H H 8.6400 0.005 1
833 296 101 ALA HA H 4.8860 0.005 1
834 296 101 ALA HB H 1.4050 0.005 1
835 296 101 ALA CA C 50.3400 0.1 1
836 296 101 ALA CB C 21.6500 0.1 1
837 296 101 ALA N N 130.4870 0.1 1
838 297 102 THR H H 8.5120 0.005 1
839 297 102 THR HA H 5.0450 0.005 1
840 297 102 THR HB H 3.9520 0.005 1
841 297 102 THR HG2 H 0.9810 0.005 1
842 297 102 THR CA C 60.0600 0.1 1
843 297 102 THR CB C 70.5430 0.1 1
844 297 102 THR CG2 C 23.0000 0.1 1
845 297 102 THR N N 113.5430 0.1 1
846 298 103 VAL H H 8.7910 0.005 1
847 298 103 VAL HA H 4.1960 0.005 1
848 298 103 VAL HB H 2.2870 0.005 1
849 298 103 VAL HG1 H 0.7560 0.005 1
850 298 103 VAL HG2 H 0.7560 0.005 1
851 298 103 VAL CA C 61.7100 0.1 1
852 298 103 VAL CB C 35.3400 0.1 1
853 298 103 VAL CG1 C 21.5100 0.1 1
854 298 103 VAL CG2 C 21.5100 0.1 1
855 298 103 VAL N N 124.6540 0.1 1
856 299 104 GLY H H 8.6510 0.005 1
857 299 104 GLY HA2 H 3.2530 0.005 2
858 299 104 GLY HA3 H 4.1500 0.005 2
859 299 104 GLY CA C 45.5900 0.1 1
860 299 104 GLY N N 113.8060 0.1 1
861 300 105 LEU H H 8.5450 0.005 1
862 300 105 LEU HA H 4.3290 0.005 1
863 300 105 LEU HB2 H 1.4200 0.005 1
864 300 105 LEU HB3 H 1.0940 0.005 1
865 300 105 LEU HG H 1.2070 0.005 1
866 300 105 LEU HD1 H 0.6830 0.005 1
867 300 105 LEU HD2 H 0.5610 0.005 2
868 300 105 LEU CA C 54.2100 0.1 1
869 300 105 LEU CB C 41.7900 0.1 1
870 300 105 LEU CD1 C 23.5100 0.1 1
871 300 105 LEU CD2 C 25.8500 0.1 1
872 300 105 LEU N N 125.4130 0.1 1
873 301 106 GLY H H 8.7050 0.005 1
874 301 106 GLY HA2 H 3.0990 0.005 2
875 301 106 GLY HA3 H 4.0940 0.005 2
876 301 106 GLY CA C 46.1970 0.1 1
877 301 106 GLY N N 108.9170 0.1 1
878 302 107 SER H H 9.7160 0.005 1
879 302 107 SER HA H 4.6580 0.005 1
880 302 107 SER HB2 H 3.9360 0.005 2
881 302 107 SER HB3 H 3.6960 0.005 2
882 302 107 SER CA C 58.0250 0.1 1
883 302 107 SER CB C 64.3480 0.1 1
884 302 107 SER N N 120.4060 0.1 1
885 303 108 VAL H H 6.9870 0.005 1
886 303 108 VAL HA H 4.1320 0.005 1
887 303 108 VAL HB H 2.3000 0.005 1
888 303 108 VAL HG1 H 1.1100 0.005 1
889 303 108 VAL HG2 H 1.1090 0.005 1
890 303 108 VAL CA C 61.4800 0.1 1
891 303 108 VAL CB C 32.5000 0.1 1
892 303 108 VAL CG1 C 21.4000 0.1 1
893 303 108 VAL CG2 C 19.6720 0.1 1
894 303 108 VAL N N 118.1190 0.1 1
895 304 109 ASN H H 8.7170 0.005 1
896 304 109 ASN HA H 4.3500 0.005 1
897 304 109 ASN HB2 H 2.9830 0.005 1
898 304 109 ASN HB3 H 2.6470 0.005 1
899 304 109 ASN HD21 H 6.9900 0.005 1
900 304 109 ASN HD22 H 6.9940 0.005 1
901 304 109 ASN CA C 53.2300 0.1 1
902 304 109 ASN CB C 38.3900 0.1 1
903 304 109 ASN N N 114.7800 0.1 1
904 304 109 ASN ND2 N 111.0100 0.1 1
905 305 110 PRO HA H 4.3360 0.005 1
906 305 110 PRO HB2 H 2.3570 0.005 1
907 305 110 PRO HB3 H 2.1740 0.005 1
908 305 110 PRO HG2 H 1.9280 0.005 1
909 305 110 PRO HG3 H 1.9280 0.005 1
910 305 110 PRO HD2 H 3.6700 0.005 1
911 305 110 PRO HD3 H 3.6700 0.005 1
912 305 110 PRO CA C 63.9100 0.1 1
913 305 110 PRO CB C 30.7010 0.1 1
914 305 110 PRO CD C 50.6300 0.1 1
915 306 111 ILE H H 7.7120 0.005 1
916 306 111 ILE HA H 4.2560 0.005 1
917 306 111 ILE HB H 1.8100 0.005 1
918 306 111 ILE HG12 H 1.1230 0.005 2
919 306 111 ILE HG13 H 0.8730 0.005 2
920 306 111 ILE HG2 H 0.7390 0.005 1
921 306 111 ILE HD1 H 0.7450 0.005 1
922 306 111 ILE CA C 60.8900 0.1 1
923 306 111 ILE CB C 39.0000 0.1 1
924 306 111 ILE CG1 C 26.4300 0.1 1
925 306 111 ILE CG2 C 17.7600 0.1 1
926 306 111 ILE CD1 C 14.4800 0.1 1
927 306 111 ILE N N 116.4530 0.1 1
928 307 112 ALA H H 8.6780 0.005 1
929 307 112 ALA HA H 4.5420 0.005 1
930 307 112 ALA HB H 1.3040 0.005 1
931 307 112 ALA CA C 49.9070 0.1 1
932 307 112 ALA CB C 23.0230 0.1 1
933 307 112 ALA N N 127.3410 0.1 1
934 308 113 SER HA H 4.2510 0.005 1
935 308 113 SER HB2 H 4.0320 0.005 2
936 308 113 SER HB3 H 3.7510 0.005 2
937 308 113 SER CA C 57.9800 0.1 1
938 308 113 SER CB C 63.4780 0.1 1
939 309 114 ASN H H 8.5820 0.005 1
940 309 114 ASN HA H 4.7840 0.005 1
941 309 114 ASN HB2 H 3.1500 0.005 2
942 309 114 ASN HB3 H 2.4870 0.005 2
943 309 114 ASN HD21 H 7.7390 0.005 2
944 309 114 ASN HD22 H 7.7930 0.005 2
945 309 114 ASN CA C 54.4920 0.1 1
946 309 114 ASN CB C 39.5600 0.1 1
947 309 114 ASN N N 123.6460 0.1 1
948 309 114 ASN ND2 N 116.6240 0.1 1
949 310 115 ALA H H 8.5270 0.005 1
950 310 115 ALA HA H 4.2450 0.005 1
951 310 115 ALA HB H 1.4450 0.005 1
952 310 115 ALA CA C 53.5630 0.1 1
953 310 115 ALA CB C 19.2670 0.1 1
954 310 115 ALA N N 122.1940 0.1 1
955 311 116 THR H H 7.2000 0.005 1
956 311 116 THR HA H 5.0400 0.005 1
957 311 116 THR HB H 4.6390 0.005 1
958 311 116 THR HG2 H 1.2170 0.005 1
959 311 116 THR CA C 57.0640 0.1 1
960 311 116 THR CB C 69.8000 0.1 1
961 311 116 THR CG2 C 21.6000 0.1 1
962 311 116 THR N N 105.4110 0.1 1
963 312 117 PRO HA H 4.1420 0.005 1
964 312 117 PRO HB2 H 2.4070 0.005 2
965 312 117 PRO HB3 H 1.9900 0.005 2
966 312 117 PRO HD2 H 4.0200 0.005 2
967 312 117 PRO HD3 H 3.8700 0.005 2
968 312 117 PRO CA C 65.2300 0.1 1
969 312 117 PRO CB C 31.3200 0.1 1
970 312 117 PRO CD C 50.3400 0.1 1
971 313 118 GLU H H 9.0890 0.005 1
972 313 118 GLU HA H 4.0660 0.005 1
973 313 118 GLU HB2 H 2.0280 0.005 2
974 313 118 GLU HB3 H 1.9160 0.005 2
975 313 118 GLU HG2 H 2.4160 0.005 2
976 313 118 GLU HG3 H 2.2600 0.005 2
977 313 118 GLU CA C 59.7200 0.1 1
978 313 118 GLU CB C 28.4300 0.1 1
979 313 118 GLU CG C 36.5100 0.1 1
980 313 118 GLU N N 118.3770 0.1 1
981 314 119 GLY H H 8.1670 0.005 1
982 314 119 GLY HA2 H 3.5550 0.005 2
983 314 119 GLY HA3 H 4.3980 0.005 2
984 314 119 GLY CA C 46.8180 0.1 1
985 314 119 GLY N N 111.9050 0.1 1
986 315 120 ARG H H 8.0720 0.005 1
987 315 120 ARG HA H 4.0480 0.005 1
988 315 120 ARG CA C 60.6010 0.1 1
989 315 120 ARG CB C 30.6000 0.1 1
990 315 120 ARG N N 119.0120 0.1 1
991 316 121 ALA H H 7.6150 0.005 1
992 316 121 ALA HA H 3.9500 0.005 1
993 316 121 ALA HB H 1.4920 0.005 1
994 316 121 ALA CA C 54.5640 0.1 1
995 316 121 ALA CB C 17.8950 0.1 1
996 316 121 ALA N N 116.5270 0.1 1
997 317 122 LYS H H 7.3320 0.005 1
998 317 122 LYS HA H 4.0380 0.005 1
999 317 122 LYS HB2 H 1.8340 0.005 2
1000 317 122 LYS HB3 H 1.6130 0.005 2
1001 317 122 LYS HG2 H 1.5790 0.005 1
1002 317 122 LYS HG3 H 1.3900 0.005 1
1003 317 122 LYS HE2 H 2.8760 0.005 1
1004 317 122 LYS HE3 H 2.8760 0.005 1
1005 317 122 LYS CA C 57.6210 0.1 1
1006 317 122 LYS CB C 32.5100 0.1 1
1007 317 122 LYS CG C 25.5000 0.1 1
1008 317 122 LYS CE C 42.1400 0.1 1
1009 317 122 LYS N N 117.2550 0.1 1
1010 318 123 ASN H H 7.4050 0.005 1
1011 318 123 ASN HA H 4.5660 0.005 1
1012 318 123 ASN HB2 H 2.5580 0.005 2
1013 318 123 ASN HB3 H 2.4830 0.005 2
1014 318 123 ASN HD21 H 6.8930 0.005 2
1015 318 123 ASN HD22 H 7.0170 0.005 2
1016 318 123 ASN CA C 54.6400 0.1 1
1017 318 123 ASN CB C 37.8090 0.1 1
1018 318 123 ASN N N 114.1580 0.1 1
1019 318 123 ASN ND2 N 111.8440 0.1 1
1020 319 124 ARG H H 6.8490 0.005 1
1021 319 124 ARG HA H 4.2100 0.005 1
1022 319 124 ARG HB2 H 1.2160 0.005 1
1023 319 124 ARG HB3 H 1.2160 0.005 1
1024 319 124 ARG HD2 H 3.3700 0.005 1
1025 319 124 ARG HD3 H 3.0620 0.005 1
1026 319 124 ARG CA C 56.0000 0.1 1
1027 319 124 ARG CB C 29.1680 0.1 1
1028 319 124 ARG CD C 44.8390 0.1 1
1029 319 124 ARG N N 118.1460 0.1 1
1030 320 125 ARG H H 7.4440 0.005 1
1031 320 125 ARG HA H 5.5190 0.005 1
1032 320 125 ARG HB2 H 1.9900 0.005 1
1033 320 125 ARG HB3 H 1.7000 0.005 1
1034 320 125 ARG HG2 H 1.7750 0.005 1
1035 320 125 ARG HG3 H 1.1270 0.005 1
1036 320 125 ARG HD2 H 3.5730 0.005 1
1037 320 125 ARG HD3 H 2.7490 0.005 1
1038 320 125 ARG CA C 54.5600 0.1 1
1039 320 125 ARG CB C 32.0000 0.1 1
1040 320 125 ARG CG C 28.3200 0.1 1
1041 320 125 ARG CD C 44.9600 0.1 1
1042 320 125 ARG N N 121.5120 0.1 1
1043 321 126 VAL H H 8.6290 0.005 1
1044 321 126 VAL HA H 5.6370 0.005 1
1045 321 126 VAL HB H 1.9250 0.005 1
1046 321 126 VAL HG1 H 0.9600 0.005 2
1047 321 126 VAL HG2 H 1.0260 0.005 2
1048 321 126 VAL CA C 59.4000 0.1 1
1049 321 126 VAL CB C 36.5400 0.1 1
1050 321 126 VAL CG1 C 22.9890 0.1 1
1051 321 126 VAL CG2 C 23.1520 0.1 1
1052 321 126 VAL N N 116.3210 0.1 1
1053 322 127 GLU H H 9.4650 0.005 1
1054 322 127 GLU HA H 5.0400 0.005 1
1055 322 127 GLU HB2 H 2.1600 0.005 2
1056 322 127 GLU HB3 H 2.0400 0.005 2
1057 322 127 GLU HG2 H 2.3000 0.005 2
1058 322 127 GLU HG3 H 2.3000 0.005 2
1059 322 127 GLU CA C 54.6000 0.1 1
1060 322 127 GLU CB C 33.1740 0.1 1
1061 322 127 GLU CG C 37.4860 0.1 1
1062 322 127 GLU N N 123.6210 0.1 1
1063 323 128 ILE H H 8.5040 0.005 1
1064 323 128 ILE HA H 4.4660 0.005 1
1065 323 128 ILE HB H 1.7640 0.005 1
1066 323 128 ILE HG12 H 1.6600 0.005 1
1067 323 128 ILE HG13 H 1.6600 0.005 1
1068 323 128 ILE HG2 H 0.6750 0.005 1
1069 323 128 ILE HD1 H 0.7750 0.005 1
1070 323 128 ILE CA C 61.3900 0.1 1
1071 323 128 ILE CB C 38.9700 0.1 1
1072 323 128 ILE CG2 C 16.8300 0.1 1
1073 323 128 ILE CD1 C 13.9000 0.1 1
1074 323 128 ILE N N 121.6790 0.1 1
1075 324 129 VAL H H 9.2340 0.005 1
1076 324 129 VAL HA H 4.7190 0.005 1
1077 324 129 VAL HB H 2.0120 0.005 1
1078 324 129 VAL HG1 H 0.8850 0.005 1
1079 324 129 VAL HG2 H 0.8850 0.005 1
1080 324 129 VAL CA C 61.2400 0.1 1
1081 324 129 VAL CB C 34.7000 0.1 1
1082 324 129 VAL CG1 C 21.0570 0.1 1
1083 324 129 VAL CG2 C 21.0570 0.1 1
1084 324 129 VAL N N 130.1990 0.1 1
1085 325 130 VAL H H 9.1210 0.005 1
1086 325 130 VAL HA H 4.3030 0.005 1
1087 325 130 VAL HB H 1.8900 0.005 1
1088 325 130 VAL HG1 H 0.9350 0.005 1
1089 325 130 VAL HG2 H 0.7510 0.005 1
1090 325 130 VAL CA C 61.9260 0.1 1
1091 325 130 VAL CB C 32.6500 0.1 1
1092 325 130 VAL CG1 C 21.5520 0.1 1
1093 325 130 VAL CG2 C 21.5180 0.1 1
1094 325 130 VAL N N 126.6890 0.1 1
1095 326 131 ASN H H 8.8150 0.005 1
1096 326 131 ASN HA H 5.1400 0.005 1
1097 326 131 ASN HB2 H 2.6830 0.005 2
1098 326 131 ASN HB3 H 2.5220 0.005 2
1099 326 131 ASN HD21 H 6.7400 0.005 2
1100 326 131 ASN HD22 H 7.3190 0.005 2
1101 326 131 ASN CA C 52.9510 0.1 1
1102 326 131 ASN CB C 39.3510 0.1 1
1103 326 131 ASN N N 126.3100 0.1 1
1104 326 131 ASN ND2 N 110.8210 0.1 1
1105 332 137 HIS H H 7.9640 0.005 1
1106 332 137 HIS N N 125.6580 0.1 1
stop_
save_