data_17200
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR structure of UHRF1 Tandem Tudor Domains in a complex with Histone H3 peptide
;
_BMRB_accession_number 17200
_BMRB_flat_file_name bmr17200.str
_Entry_type original
_Submission_date 2010-09-21
_Accession_date 2010-09-21
_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 Nady Nataliya . .
2 Lemak Alexander . .
3 Fares Christopher . .
4 Gutmanas Aleksandras . .
5 Avvakumov George . .
6 Xue Sheng . .
7 Arrowsmith Cheryl . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 2
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 950
"13C chemical shifts" 644
"15N chemical shifts" 160
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-03-13 update BMRB 'update entry citation'
2011-05-02 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 21489993
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Nady Nataliya . .
2 Lemak Alexander . .
3 Walker John R. .
4 Avvakumov George V. .
5 Kareta Michael S. .
6 Achour Mayada . .
7 Xue Sheng . .
8 Duan Shili . .
9 Allali-Hassani Abdellah . .
10 Zuo Xiaobing . .
11 Wang Yun-Xing . .
12 Bronner Christian . .
13 Chedin Frederic . .
14 Arrowsmith Cheryl H. .
15 Dhe-Paganon Sirano . .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_name_full 'The Journal of biological chemistry'
_Journal_volume 286
_Journal_issue 27
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 24300
_Page_last 24311
_Year 2011
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'UHRF1 Tandem Tudor Domains/Histone H3 complex'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'UHRF1 Tandem Tudor Domains' $entity_1
'Histone H3' $entity_2
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_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'UHRF1 Tandem Tudor Domains'
_Molecular_mass 18824.107
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 162
_Mol_residue_sequence
;
GGMWDETELGLYKVNEYVDA
RDTNMGAWFEAQVVRVTRKA
PSRDEPCSSTSRPALEEDVI
YHVKYDDYPENGVVQMNSRD
VRARARTIIKWQDLEVGQVV
MLNYNPDNPKERGFWYDAEI
SRKRETRTARELYANVVLGD
DSLNDCRIIFVDEVFKIERP
GE
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 124 GLY 2 125 GLY 3 126 MET 4 127 TRP 5 128 ASP
6 129 GLU 7 130 THR 8 131 GLU 9 132 LEU 10 133 GLY
11 134 LEU 12 135 TYR 13 136 LYS 14 137 VAL 15 138 ASN
16 139 GLU 17 140 TYR 18 141 VAL 19 142 ASP 20 143 ALA
21 144 ARG 22 145 ASP 23 146 THR 24 147 ASN 25 148 MET
26 149 GLY 27 150 ALA 28 151 TRP 29 152 PHE 30 153 GLU
31 154 ALA 32 155 GLN 33 156 VAL 34 157 VAL 35 158 ARG
36 159 VAL 37 160 THR 38 161 ARG 39 162 LYS 40 163 ALA
41 164 PRO 42 165 SER 43 166 ARG 44 167 ASP 45 168 GLU
46 169 PRO 47 170 CYS 48 171 SER 49 172 SER 50 173 THR
51 174 SER 52 175 ARG 53 176 PRO 54 177 ALA 55 178 LEU
56 179 GLU 57 180 GLU 58 181 ASP 59 182 VAL 60 183 ILE
61 184 TYR 62 185 HIS 63 186 VAL 64 187 LYS 65 188 TYR
66 189 ASP 67 190 ASP 68 191 TYR 69 192 PRO 70 193 GLU
71 194 ASN 72 195 GLY 73 196 VAL 74 197 VAL 75 198 GLN
76 199 MET 77 200 ASN 78 201 SER 79 202 ARG 80 203 ASP
81 204 VAL 82 205 ARG 83 206 ALA 84 207 ARG 85 208 ALA
86 209 ARG 87 210 THR 88 211 ILE 89 212 ILE 90 213 LYS
91 214 TRP 92 215 GLN 93 216 ASP 94 217 LEU 95 218 GLU
96 219 VAL 97 220 GLY 98 221 GLN 99 222 VAL 100 223 VAL
101 224 MET 102 225 LEU 103 226 ASN 104 227 TYR 105 228 ASN
106 229 PRO 107 230 ASP 108 231 ASN 109 232 PRO 110 233 LYS
111 234 GLU 112 235 ARG 113 236 GLY 114 237 PHE 115 238 TRP
116 239 TYR 117 240 ASP 118 241 ALA 119 242 GLU 120 243 ILE
121 244 SER 122 245 ARG 123 246 LYS 124 247 ARG 125 248 GLU
126 249 THR 127 250 ARG 128 251 THR 129 252 ALA 130 253 ARG
131 254 GLU 132 255 LEU 133 256 TYR 134 257 ALA 135 258 ASN
136 259 VAL 137 260 VAL 138 261 LEU 139 262 GLY 140 263 ASP
141 264 ASP 142 265 SER 143 266 LEU 144 267 ASN 145 268 ASP
146 269 CYS 147 270 ARG 148 271 ILE 149 272 ILE 150 273 PHE
151 274 VAL 152 275 ASP 153 276 GLU 154 277 VAL 155 278 PHE
156 279 LYS 157 280 ILE 158 281 GLU 159 282 ARG 160 283 PRO
161 284 GLY 162 285 GLU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-01-30
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2L3R "Nmr Structure Of Uhrf1 Tandem Tudor Domains In A Complex With Histone H3 Peptide" 100.00 162 100.00 100.00 2.46e-114
PDB 3DB3 "Crystal Structure Of The Tandem Tudor Domains Of The E3 Ubiquitin- Protein Ligase Uhrf1 In Complex With Trimethylated Histone H" 99.38 161 97.52 97.52 2.56e-109
PDB 3DB4 "Crystal Structure Of The Tandem Tudor Domains Of The E3 Ubiquitin- Protein Ligase Uhrf1" 99.38 161 97.52 97.52 2.56e-109
PDB 4GY5 "Crystal Structure Of The Tandem Tudor Domain And Plant Homeodomain Of Uhrf1 With Histone H3k9me3" 93.83 241 100.00 100.00 2.16e-104
PDB 4QQD "Crystal Structure Of Tandem Tudor Domains Of Uhrf1 In Complex With A Small Organic Molecule" 99.38 161 100.00 100.00 1.68e-113
DBJ BAF36719 "hNP95 [Homo sapiens]" 98.77 793 100.00 100.00 3.13e-106
DBJ BAF36720 "hNP95 [Homo sapiens]" 98.77 793 100.00 100.00 3.13e-106
DBJ BAF82078 "unnamed protein product [Homo sapiens]" 98.77 793 100.00 100.00 3.79e-106
DBJ BAG37156 "unnamed protein product [Homo sapiens]" 98.77 793 100.00 100.00 3.37e-106
GB AAF28469 "transcription factor ICBP90 [Homo sapiens]" 98.77 793 100.00 100.00 3.44e-106
GB AAI13876 "Ubiquitin-like with PHD and ring finger domains 1 [Homo sapiens]" 98.77 806 100.00 100.00 3.79e-106
GB AAK55744 "nuclear zinc finger protein Np95 [Homo sapiens]" 98.77 793 100.00 100.00 3.13e-106
GB AAV40831 "ubiquitin-like, containing PHD and RING finger domains, 1 [Homo sapiens]" 98.77 793 100.00 100.00 3.13e-106
GB ABQ59043 "UHRF1 protein [Homo sapiens]" 98.77 793 100.00 100.00 3.13e-106
REF NP_001041666 "E3 ubiquitin-protein ligase UHRF1 isoform 1 [Homo sapiens]" 98.77 793 100.00 100.00 3.13e-106
REF NP_001276979 "E3 ubiquitin-protein ligase UHRF1 isoform 1 [Homo sapiens]" 98.77 793 100.00 100.00 3.13e-106
REF NP_001276980 "E3 ubiquitin-protein ligase UHRF1 isoform 1 [Homo sapiens]" 98.77 793 100.00 100.00 3.13e-106
REF NP_001276981 "E3 ubiquitin-protein ligase UHRF1 isoform 1 [Homo sapiens]" 98.77 793 100.00 100.00 3.13e-106
REF NP_037414 "E3 ubiquitin-protein ligase UHRF1 isoform 2 [Homo sapiens]" 98.77 806 100.00 100.00 3.79e-106
SP Q96T88 "RecName: Full=E3 ubiquitin-protein ligase UHRF1; AltName: Full=Inverted CCAAT box-binding protein of 90 kDa; AltName: Full=Nucl" 98.77 793 100.00 100.00 3.13e-106
stop_
save_
save_entity_2
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'Histone H3'
_Molecular_mass 1293.529
_Mol_thiol_state 'not present'
_Details .
_Residue_count 11
_Mol_residue_sequence ARTKQTARXST
loop_
_Residue_seq_code
_Residue_label
1 ALA 2 ARG 3 THR 4 LYS 5 GLN
6 THR 7 ALA 8 ARG 9 M3L 10 SER
11 THR
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
######################
# Polymer residues #
######################
save_chem_comp_M3L
_Saveframe_category polymer_residue
_Mol_type 'L-peptide linking'
_Name_common N-TRIMETHYLLYSINE
_BMRB_code .
_PDB_code M3L
_Standard_residue_derivative .
_Molecular_mass 189.275
_Mol_paramagnetic .
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 15:04:00 2009
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
N N N . 0 . ?
CA CA C . 0 . ?
CB CB C . 0 . ?
CG CG C . 0 . ?
CD CD C . 0 . ?
CE CE C . 0 . ?
NZ NZ N . 1 . ?
C C C . 0 . ?
O O O . 0 . ?
OXT OXT O . 0 . ?
CM1 CM1 C . 0 . ?
CM2 CM2 C . 0 . ?
CM3 CM3 C . 0 . ?
H H H . 0 . ?
H2 H2 H . 0 . ?
HA HA H . 0 . ?
HB2 HB2 H . 0 . ?
HB3 HB3 H . 0 . ?
HG2 HG2 H . 0 . ?
HG3 HG3 H . 0 . ?
HD2 HD2 H . 0 . ?
HD3 HD3 H . 0 . ?
HE2 HE2 H . 0 . ?
HE3 HE3 H . 0 . ?
HXT HXT H . 0 . ?
HM11 HM11 H . 0 . ?
HM12 HM12 H . 0 . ?
HM13 HM13 H . 0 . ?
HM21 HM21 H . 0 . ?
HM22 HM22 H . 0 . ?
HM23 HM23 H . 0 . ?
HM31 HM31 H . 0 . ?
HM32 HM32 H . 0 . ?
HM33 HM33 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
SING N CA ? ?
SING N H ? ?
SING N H2 ? ?
SING CA CB ? ?
SING CA C ? ?
SING CA HA ? ?
SING CB CG ? ?
SING CB HB2 ? ?
SING CB HB3 ? ?
SING CG CD ? ?
SING CG HG2 ? ?
SING CG HG3 ? ?
SING CD CE ? ?
SING CD HD2 ? ?
SING CD HD3 ? ?
SING CE NZ ? ?
SING CE HE2 ? ?
SING CE HE3 ? ?
SING NZ CM1 ? ?
SING NZ CM2 ? ?
SING NZ CM3 ? ?
DOUB C O ? ?
SING C OXT ? ?
SING OXT HXT ? ?
SING CM1 HM11 ? ?
SING CM1 HM12 ? ?
SING CM1 HM13 ? ?
SING CM2 HM21 ? ?
SING CM2 HM22 ? ?
SING CM2 HM23 ? ?
SING CM3 HM31 ? ?
SING CM3 HM32 ? ?
SING CM3 HM33 ? ?
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_1 'E. coli' 562 Bacteria . . .
$entity_2 . . . . . .
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_1 'recombinant technology' . . . . pET28a
$entity_2 'chemical synthesis' . . . . .
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_1 0.6 mM '[U-100% 15N]'
$entity_1 0.6 mM '[U-100% 13C]'
$entity_2 3 mM 'natural abundance'
'Sodium Phosphate' 20 mM 'natural abundance'
'Sodium Chloride' 250 mM 'natural abundance'
DTT 2 mM 'natural abundance'
Benzamidine 1 mM 'natural abundance'
PMSF 0.5 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.6 mM '[U-100% 15N]'
$entity_1 0.6 mM '[U-100% 13C]'
$entity_2 3 mM 'natural abundance'
'Sodium Phosphate' 20 mM 'natural abundance'
'Sodium Chloride' 250 mM 'natural abundance'
DTT 2 mM 'natural abundance'
Benzamidine 1 mM 'natural abundance'
PMSF 0.5 mM 'natural abundance'
'Pf1 phage' 10 mg/ml 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_3
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.6 mM '[U-100% 15N]'
$entity_1 0.6 mM '[U-100% 13C]'
$entity_2 3 mM 'natural abundance'
'Sodium Phosphate' 20 mM 'natural abundance'
'Sodium Chloride' 250 mM 'natural abundance'
DTT 2 mM 'natural abundance'
Benzamidine 1 mM 'natural abundance'
PMSF 0.5 mM 'natural abundance'
'C12E5 peg/hexanol' 6 % 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
save_sample_4
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.6 mM '[U-100% 15N]'
$entity_1 0.6 mM '[U-100% 13C]'
$entity_2 3 mM 'natural abundance'
'Sodium Phosphate' 20 mM 'natural abundance'
'Sodium Chloride' 250 mM 'natural abundance'
DTT 2 mM 'natural abundance'
Benzamidine 1 mM 'natural abundance'
PMSF 0.5 mM 'natural abundance'
'C12E5 peg/hexanol' 3.3 % 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_ABACUS
_Saveframe_category software
_Name ABACUS
_Version .
loop_
_Vendor
_Address
_Electronic_address
Lemak . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 3.0
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'peak picking'
stop_
_Details .
save_
save_FuDA
_Saveframe_category software
_Name FuDA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Flemming Hansen' . http://pound.med.utoronto.ca/software
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'geometry optimization'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_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_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_HCCH-TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-TOCSY'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_Aro-NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name Aro-NOESY
_Sample_label $sample_1
save_
save_Aro-2D-1H-13C_HSQC_11
_Saveframe_category NMR_applied_experiment
_Experiment_name 'Aro-2D-1H-13C HSQC'
_Sample_label $sample_1
save_
save_Aro-3D-TOCSY_12
_Saveframe_category NMR_applied_experiment
_Experiment_name Aro-3D-TOCSY
_Sample_label $sample_1
save_
save_2D-TOCSY_13
_Saveframe_category NMR_applied_experiment
_Experiment_name 2D-TOCSY
_Sample_label $sample_1
save_
save_3D-Edited-15N/13C_NOESY_14
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D-Edited-15N/13C NOESY'
_Sample_label $sample_1
save_
save_IPAP-15N-1H_HSQC_15
_Saveframe_category NMR_applied_experiment
_Experiment_name 'IPAP-15N-1H HSQC'
_Sample_label $sample_1
save_
save_J-evolution-13CO-13CA_16
_Saveframe_category NMR_applied_experiment
_Experiment_name J-evolution-13CO-13CA
_Sample_label $sample_1
save_
save_J-evolution-15N-13CO_17
_Saveframe_category NMR_applied_experiment
_Experiment_name J-evolution-15N-13CO
_Sample_label $sample_1
save_
save_IPAP-15N-1H_HSQC_18
_Saveframe_category NMR_applied_experiment
_Experiment_name 'IPAP-15N-1H HSQC'
_Sample_label $sample_2
save_
save_IPAP-15N-1H_HSQC_19
_Saveframe_category NMR_applied_experiment
_Experiment_name 'IPAP-15N-1H HSQC'
_Sample_label $sample_3
save_
save_IPAP-15N-1H_HSQC_20
_Saveframe_category NMR_applied_experiment
_Experiment_name 'IPAP-15N-1H HSQC'
_Sample_label $sample_4
save_
save_J-evolution-13CO-13CA_21
_Saveframe_category NMR_applied_experiment
_Experiment_name J-evolution-13CO-13CA
_Sample_label $sample_4
save_
save_J-evolution-15N-13CO_22
_Saveframe_category NMR_applied_experiment
_Experiment_name J-evolution-15N-13CO
_Sample_label $sample_4
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 298 . K
pH 7 . pH
pressure 1 . atm
'ionic strength' 250 . mM
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
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_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$ABACUS
$CYANA
stop_
loop_
_Experiment_label
'3D CBCA(CO)NH'
'3D HNCO'
'3D HNCA'
'3D HBHA(CO)NH'
'3D HCCH-TOCSY'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY'
Aro-NOESY
'3D-Edited-15N/13C NOESY'
'IPAP-15N-1H HSQC'
J-evolution-13CO-13CA
J-evolution-15N-13CO
stop_
loop_
_Sample_label
$sample_1
$sample_2
$sample_3
$sample_4
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'UHRF1 Tandem Tudor Domains'
_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
1 125 2 GLY HA2 H 4.00 0.0300 1
2 125 2 GLY HA3 H 4.00 0.0300 1
3 125 2 GLY C C 174.25 0.4000 1
4 125 2 GLY CA C 45.44 0.4000 1
5 126 3 MET H H 8.20 0.0300 1
6 126 3 MET HA H 4.25 0.0300 1
7 126 3 MET HB2 H 1.72 0.0300 2
8 126 3 MET HB3 H 1.69 0.0300 2
9 126 3 MET HE H 1.96 0.0300 1
10 126 3 MET HG2 H 2.19 0.0300 1
11 126 3 MET HG3 H 2.19 0.0300 1
12 126 3 MET C C 176.05 0.4000 1
13 126 3 MET CA C 56.44 0.4000 1
14 126 3 MET CB C 32.81 0.4000 1
15 126 3 MET CE C 18.87 0.4000 1
16 126 3 MET CG C 31.54 0.4000 1
17 126 3 MET N N 120.29 0.4000 1
18 127 4 TRP H H 8.25 0.0300 1
19 127 4 TRP HA H 4.81 0.0300 1
20 127 4 TRP HB2 H 3.36 0.0300 2
21 127 4 TRP HB3 H 3.18 0.0300 2
22 127 4 TRP HD1 H 7.23 0.0300 1
23 127 4 TRP HE1 H 10.18 0.0300 1
24 127 4 TRP HE3 H 7.63 0.0300 1
25 127 4 TRP HH2 H 7.20 0.0300 1
26 127 4 TRP HZ2 H 7.47 0.0300 1
27 127 4 TRP HZ3 H 7.12 0.0300 1
28 127 4 TRP C C 175.73 0.4000 1
29 127 4 TRP CA C 56.77 0.4000 1
30 127 4 TRP CB C 29.61 0.4000 1
31 127 4 TRP CD1 C 127.28 0.4000 1
32 127 4 TRP CE3 C 120.85 0.4000 1
33 127 4 TRP CH2 C 124.53 0.4000 1
34 127 4 TRP CZ2 C 114.62 0.4000 1
35 127 4 TRP CZ3 C 121.95 0.4000 1
36 127 4 TRP N N 119.81 0.4000 1
37 127 4 TRP NE1 N 129.33 0.4000 1
38 128 5 ASP H H 8.12 0.0300 1
39 128 5 ASP HA H 4.61 0.0300 1
40 128 5 ASP HB2 H 2.63 0.0300 1
41 128 5 ASP HB3 H 2.63 0.0300 1
42 128 5 ASP C C 176.11 0.4000 1
43 128 5 ASP CA C 54.18 0.4000 1
44 128 5 ASP CB C 41.22 0.4000 1
45 128 5 ASP N N 121.07 0.4000 1
46 129 6 GLU H H 8.35 0.0300 1
47 129 6 GLU HA H 4.35 0.0300 1
48 129 6 GLU HB2 H 2.11 0.0300 2
49 129 6 GLU HB3 H 1.98 0.0300 2
50 129 6 GLU HG2 H 2.32 0.0300 2
51 129 6 GLU HG3 H 2.24 0.0300 2
52 129 6 GLU C C 176.62 0.4000 1
53 129 6 GLU CA C 56.99 0.4000 1
54 129 6 GLU CB C 30.16 0.4000 1
55 129 6 GLU CG C 36.60 0.4000 1
56 129 6 GLU N N 121.25 0.4000 1
57 130 7 THR H H 8.15 0.0300 1
58 130 7 THR HA H 4.42 0.0300 1
59 130 7 THR HB H 4.13 0.0300 1
60 130 7 THR HG2 H 1.12 0.0300 1
61 130 7 THR C C 174.03 0.4000 1
62 130 7 THR CA C 61.81 0.4000 1
63 130 7 THR CB C 69.86 0.4000 1
64 130 7 THR CG2 C 21.26 0.4000 1
65 130 7 THR N N 114.43 0.4000 1
66 131 8 GLU H H 8.37 0.0300 1
67 131 8 GLU HA H 4.42 0.0300 1
68 131 8 GLU HB2 H 2.13 0.0300 2
69 131 8 GLU HB3 H 1.89 0.0300 2
70 131 8 GLU C C 176.06 0.4000 1
71 131 8 GLU CA C 56.27 0.4000 1
72 131 8 GLU CB C 30.03 0.4000 1
73 131 8 GLU N N 123.18 0.4000 1
74 132 9 LEU H H 8.02 0.0300 1
75 132 9 LEU HA H 4.27 0.0300 1
76 132 9 LEU HB2 H 1.51 0.0300 1
77 132 9 LEU HB3 H 1.51 0.0300 1
78 132 9 LEU HD1 H 0.82 0.0300 2
79 132 9 LEU HD2 H 0.78 0.0300 2
80 132 9 LEU HG H 1.53 0.0300 1
81 132 9 LEU C C 176.85 0.4000 1
82 132 9 LEU CA C 55.33 0.4000 1
83 132 9 LEU CB C 43.06 0.4000 1
84 132 9 LEU CD1 C 25.24 0.4000 1
85 132 9 LEU CD2 C 23.64 0.4000 1
86 132 9 LEU CG C 26.89 0.4000 1
87 132 9 LEU N N 122.06 0.4000 1
88 133 10 GLY H H 8.23 0.0300 1
89 133 10 GLY N N 107.95 0.4000 1
90 134 11 LEU HA H 3.93 0.0300 1
91 134 11 LEU HB2 H 1.16 0.0300 2
92 134 11 LEU HB3 H 0.88 0.0300 2
93 134 11 LEU HD1 H 0.79 0.0300 2
94 134 11 LEU HD2 H 0.72 0.0300 2
95 134 11 LEU HG H 1.26 0.0300 1
96 134 11 LEU C C 177.17 0.4000 1
97 134 11 LEU CA C 56.41 0.4000 1
98 134 11 LEU CB C 42.68 0.4000 1
99 134 11 LEU CD1 C 24.85 0.4000 1
100 134 11 LEU CD2 C 23.73 0.4000 1
101 134 11 LEU CG C 26.67 0.4000 1
102 135 12 TYR H H 7.55 0.0300 1
103 135 12 TYR HA H 4.77 0.0300 1
104 135 12 TYR HB2 H 2.61 0.0300 2
105 135 12 TYR HB3 H 2.26 0.0300 2
106 135 12 TYR HD1 H 6.67 0.0300 1
107 135 12 TYR HD2 H 6.67 0.0300 1
108 135 12 TYR HE1 H 6.68 0.0300 1
109 135 12 TYR HE2 H 6.68 0.0300 1
110 135 12 TYR C C 174.48 0.4000 1
111 135 12 TYR CA C 56.50 0.4000 1
112 135 12 TYR CB C 38.74 0.4000 1
113 135 12 TYR CD1 C 132.85 0.4000 1
114 135 12 TYR CE1 C 118.00 0.4000 1
115 135 12 TYR N N 117.83 0.4000 1
116 136 13 LYS H H 8.63 0.0300 1
117 136 13 LYS HA H 4.59 0.0300 1
118 136 13 LYS HB2 H 1.94 0.0300 1
119 136 13 LYS HB3 H 1.94 0.0300 1
120 136 13 LYS HD2 H 1.63 0.0300 1
121 136 13 LYS HD3 H 1.63 0.0300 1
122 136 13 LYS HE2 H 3.00 0.0300 2
123 136 13 LYS HE3 H 2.96 0.0300 2
124 136 13 LYS HG2 H 1.52 0.0300 2
125 136 13 LYS HG3 H 1.47 0.0300 2
126 136 13 LYS C C 176.55 0.4000 1
127 136 13 LYS CA C 53.91 0.4000 1
128 136 13 LYS CB C 34.81 0.4000 1
129 136 13 LYS CD C 28.51 0.4000 1
130 136 13 LYS CE C 42.48 0.4000 1
131 136 13 LYS CG C 24.90 0.4000 1
132 136 13 LYS N N 119.69 0.4000 1
133 137 14 VAL H H 8.28 0.0300 1
134 137 14 VAL HA H 3.15 0.0300 1
135 137 14 VAL HB H 1.88 0.0300 1
136 137 14 VAL HG1 H 0.89 0.0300 2
137 137 14 VAL HG2 H 1.01 0.0300 2
138 137 14 VAL C C 176.87 0.4000 1
139 137 14 VAL CA C 66.34 0.4000 1
140 137 14 VAL CB C 31.13 0.4000 1
141 137 14 VAL CG1 C 21.28 0.4000 1
142 137 14 VAL CG2 C 23.37 0.4000 1
143 137 14 VAL N N 118.79 0.4000 1
144 138 15 ASN H H 8.69 0.0300 1
145 138 15 ASN HA H 4.24 0.0300 1
146 138 15 ASN HB2 H 3.38 0.0300 2
147 138 15 ASN HB3 H 2.85 0.0300 2
148 138 15 ASN HD21 H 6.89 0.0300 2
149 138 15 ASN HD22 H 7.54 0.0300 2
150 138 15 ASN C C 174.98 0.4000 1
151 138 15 ASN CA C 55.71 0.4000 1
152 138 15 ASN CB C 37.11 0.4000 1
153 138 15 ASN N N 118.60 0.4000 1
154 138 15 ASN ND2 N 112.82 0.4000 1
155 139 16 GLU H H 8.46 0.0300 1
156 139 16 GLU HA H 4.06 0.0300 1
157 139 16 GLU HB2 H 2.01 0.0300 2
158 139 16 GLU HB3 H 2.27 0.0300 2
159 139 16 GLU HG2 H 2.43 0.0300 2
160 139 16 GLU HG3 H 2.25 0.0300 2
161 139 16 GLU C C 175.89 0.4000 1
162 139 16 GLU CA C 58.07 0.4000 1
163 139 16 GLU CB C 30.95 0.4000 1
164 139 16 GLU CG C 36.98 0.4000 1
165 139 16 GLU N N 123.59 0.4000 1
166 140 17 TYR H H 8.66 0.0300 1
167 140 17 TYR HA H 4.91 0.0300 1
168 140 17 TYR HB2 H 2.94 0.0300 2
169 140 17 TYR HB3 H 2.75 0.0300 2
170 140 17 TYR HD1 H 7.29 0.0300 1
171 140 17 TYR HD2 H 7.29 0.0300 1
172 140 17 TYR HE1 H 6.82 0.0300 1
173 140 17 TYR HE2 H 6.82 0.0300 1
174 140 17 TYR C C 175.50 0.4000 1
175 140 17 TYR CA C 58.55 0.4000 1
176 140 17 TYR CB C 37.30 0.4000 1
177 140 17 TYR CD1 C 132.75 0.4000 1
178 140 17 TYR CE1 C 118.18 0.4000 1
179 140 17 TYR N N 124.29 0.4000 1
180 141 18 VAL H H 8.68 0.0300 1
181 141 18 VAL HA H 4.78 0.0300 1
182 141 18 VAL HB H 2.26 0.0300 1
183 141 18 VAL HG1 H 0.12 0.0300 2
184 141 18 VAL HG2 H 0.31 0.0300 2
185 141 18 VAL C C 176.31 0.4000 1
186 141 18 VAL CA C 59.66 0.4000 1
187 141 18 VAL CB C 35.95 0.4000 1
188 141 18 VAL CG1 C 21.26 0.4000 1
189 141 18 VAL CG2 C 17.19 0.4000 1
190 141 18 VAL N N 115.29 0.4000 1
191 142 19 ASP H H 9.04 0.0300 1
192 142 19 ASP HA H 5.59 0.0300 1
193 142 19 ASP HB2 H 2.44 0.0300 2
194 142 19 ASP HB3 H 2.16 0.0300 2
195 142 19 ASP C C 173.70 0.4000 1
196 142 19 ASP CA C 55.05 0.4000 1
197 142 19 ASP CB C 43.90 0.4000 1
198 142 19 ASP N N 124.70 0.4000 1
199 143 20 ALA H H 9.72 0.0300 1
200 143 20 ALA HA H 5.74 0.0300 1
201 143 20 ALA HB H 1.24 0.0300 1
202 143 20 ALA C C 175.24 0.4000 1
203 143 20 ALA CA C 49.95 0.4000 1
204 143 20 ALA CB C 22.05 0.4000 1
205 143 20 ALA N N 124.48 0.4000 1
206 144 21 ARG H H 9.02 0.0300 1
207 144 21 ARG HA H 4.09 0.0300 1
208 144 21 ARG HB2 H 0.95 0.0300 1
209 144 21 ARG HB3 H 0.95 0.0300 1
210 144 21 ARG HD2 H 2.85 0.0300 2
211 144 21 ARG HD3 H 2.35 0.0300 2
212 144 21 ARG HG2 H 0.05 0.0300 2
213 144 21 ARG HG3 H 0.00 0.0300 2
214 144 21 ARG C C 175.30 0.4000 1
215 144 21 ARG CA C 54.65 0.4000 1
216 144 21 ARG CB C 29.89 0.4000 1
217 144 21 ARG CD C 43.30 0.4000 1
218 144 21 ARG CG C 25.35 0.4000 1
219 144 21 ARG N N 128.42 0.4000 1
220 145 22 ASP H H 8.48 0.0300 1
221 145 22 ASP HA H 4.53 0.0300 1
222 145 22 ASP HB2 H 2.70 0.0300 2
223 145 22 ASP HB3 H 2.39 0.0300 2
224 145 22 ASP C C 177.65 0.4000 1
225 145 22 ASP CA C 53.53 0.4000 1
226 145 22 ASP CB C 43.42 0.4000 1
227 145 22 ASP N N 125.85 0.4000 1
228 146 23 THR H H 8.45 0.0300 1
229 146 23 THR HA H 3.82 0.0300 1
230 146 23 THR HB H 4.22 0.0300 1
231 146 23 THR HG2 H 1.24 0.0300 1
232 146 23 THR C C 175.61 0.4000 1
233 146 23 THR CA C 64.90 0.4000 1
234 146 23 THR CB C 68.65 0.4000 1
235 146 23 THR CG2 C 21.90 0.4000 1
236 146 23 THR N N 121.34 0.4000 1
237 147 24 ASN H H 8.15 0.0300 1
238 147 24 ASN HA H 4.56 0.0300 1
239 147 24 ASN HB2 H 2.91 0.0300 2
240 147 24 ASN HB3 H 2.78 0.0300 2
241 147 24 ASN HD21 H 6.95 0.0300 2
242 147 24 ASN HD22 H 7.86 0.0300 2
243 147 24 ASN C C 176.69 0.4000 1
244 147 24 ASN CA C 55.77 0.4000 1
245 147 24 ASN CB C 38.73 0.4000 1
246 147 24 ASN N N 119.28 0.4000 1
247 147 24 ASN ND2 N 114.49 0.4000 1
248 148 25 MET H H 8.54 0.0300 1
249 148 25 MET HA H 4.33 0.0300 1
250 148 25 MET HB2 H 1.90 0.0300 1
251 148 25 MET HB3 H 1.90 0.0300 1
252 148 25 MET HE H 1.26 0.0300 1
253 148 25 MET HG2 H 2.56 0.0300 2
254 148 25 MET HG3 H 2.45 0.0300 2
255 148 25 MET C C 177.22 0.4000 1
256 148 25 MET CA C 57.65 0.4000 1
257 148 25 MET CB C 36.98 0.4000 1
258 148 25 MET CE C 15.87 0.4000 1
259 148 25 MET CG C 32.48 0.4000 1
260 148 25 MET N N 115.69 0.4000 1
261 149 26 GLY H H 8.64 0.0300 1
262 149 26 GLY HA2 H 4.15 0.0300 2
263 149 26 GLY HA3 H 3.50 0.0300 2
264 149 26 GLY C C 170.99 0.4000 1
265 149 26 GLY CA C 45.26 0.4000 1
266 149 26 GLY N N 105.65 0.4000 1
267 150 27 ALA H H 6.18 0.0300 1
268 150 27 ALA HA H 4.71 0.0300 1
269 150 27 ALA HB H 0.81 0.0300 1
270 150 27 ALA C C 175.09 0.4000 1
271 150 27 ALA CA C 49.67 0.4000 1
272 150 27 ALA CB C 22.07 0.4000 1
273 150 27 ALA N N 119.29 0.4000 1
274 151 28 TRP H H 9.07 0.0300 1
275 151 28 TRP HA H 4.67 0.0300 1
276 151 28 TRP HB2 H 3.14 0.0300 2
277 151 28 TRP HB3 H 3.08 0.0300 2
278 151 28 TRP HD1 H 7.11 0.0300 1
279 151 28 TRP HE1 H 9.52 0.0300 1
280 151 28 TRP HH2 H 7.03 0.0300 1
281 151 28 TRP HZ2 H 7.37 0.0300 1
282 151 28 TRP CA C 56.30 0.4000 1
283 151 28 TRP CB C 30.60 0.4000 1
284 151 28 TRP CD1 C 127.67 0.4000 1
285 151 28 TRP CZ2 C 115.34 0.4000 1
286 151 28 TRP N N 119.95 0.4000 1
287 151 28 TRP NE1 N 128.43 0.4000 1
288 152 29 PHE H H 10.13 0.0300 1
289 152 29 PHE HD1 H 7.61 0.0300 1
290 152 29 PHE HD2 H 7.61 0.0300 1
291 152 29 PHE HE1 H 7.42 0.0300 1
292 152 29 PHE HE2 H 7.42 0.0300 1
293 152 29 PHE HZ H 6.74 0.0300 1
294 152 29 PHE CD1 C 133.31 0.4000 1
295 152 29 PHE CE1 C 131.84 0.4000 1
296 152 29 PHE CZ C 129.64 0.4000 1
297 152 29 PHE N N 123.72 0.4000 1
298 154 31 ALA H H 8.98 0.0300 1
299 154 31 ALA HA H 5.31 0.0300 1
300 154 31 ALA HB H 1.05 0.0300 1
301 154 31 ALA C C 175.42 0.4000 1
302 154 31 ALA CA C 51.75 0.4000 1
303 154 31 ALA CB C 24.35 0.4000 1
304 154 31 ALA N N 127.65 0.4000 1
305 155 32 GLN H H 8.68 0.0300 1
306 155 32 GLN HA H 5.11 0.0300 1
307 155 32 GLN HB2 H 1.84 0.0300 1
308 155 32 GLN HB3 H 1.84 0.0300 1
309 155 32 GLN HE21 H 6.65 0.0300 2
310 155 32 GLN HE22 H 7.04 0.0300 2
311 155 32 GLN C C 175.12 0.4000 1
312 155 32 GLN CA C 54.31 0.4000 1
313 155 32 GLN CB C 32.83 0.4000 1
314 155 32 GLN N N 120.09 0.4000 1
315 155 32 GLN NE2 N 110.95 0.4000 1
316 156 33 VAL H H 8.39 0.0300 1
317 156 33 VAL HA H 3.95 0.0300 1
318 156 33 VAL HB H 2.38 0.0300 1
319 156 33 VAL HG1 H 0.92 0.0300 2
320 156 33 VAL HG2 H 0.72 0.0300 2
321 156 33 VAL C C 176.66 0.4000 1
322 156 33 VAL CA C 64.11 0.4000 1
323 156 33 VAL CB C 31.91 0.4000 1
324 156 33 VAL CG1 C 23.12 0.4000 1
325 156 33 VAL CG2 C 22.32 0.4000 1
326 156 33 VAL N N 125.30 0.4000 1
327 157 34 VAL H H 9.74 0.0300 1
328 157 34 VAL HA H 4.49 0.0300 1
329 157 34 VAL HB H 2.09 0.0300 1
330 157 34 VAL HG1 H 0.90 0.0300 2
331 157 34 VAL HG2 H 0.84 0.0300 2
332 157 34 VAL C C 175.29 0.4000 1
333 157 34 VAL CA C 62.37 0.4000 1
334 157 34 VAL CB C 33.26 0.4000 1
335 157 34 VAL CG1 C 21.15 0.4000 1
336 157 34 VAL CG2 C 20.75 0.4000 1
337 157 34 VAL N N 125.72 0.4000 1
338 158 35 ARG H H 8.04 0.0300 1
339 158 35 ARG HA H 4.42 0.0300 1
340 158 35 ARG HB2 H 1.64 0.0300 2
341 158 35 ARG HB3 H 1.39 0.0300 2
342 158 35 ARG HD2 H 2.64 0.0300 2
343 158 35 ARG HD3 H 2.56 0.0300 2
344 158 35 ARG HG2 H 1.23 0.0300 1
345 158 35 ARG HG3 H 1.23 0.0300 1
346 158 35 ARG C C 172.42 0.4000 1
347 158 35 ARG CA C 56.18 0.4000 1
348 158 35 ARG CB C 33.61 0.4000 1
349 158 35 ARG CD C 43.38 0.4000 1
350 158 35 ARG CG C 27.45 0.4000 1
351 158 35 ARG N N 119.41 0.4000 1
352 159 36 VAL H H 8.64 0.0300 1
353 159 36 VAL HA H 4.81 0.0300 1
354 159 36 VAL HB H 2.02 0.0300 1
355 159 36 VAL HG1 H 1.05 0.0300 2
356 159 36 VAL HG2 H 0.71 0.0300 2
357 159 36 VAL C C 175.47 0.4000 1
358 159 36 VAL CA C 62.08 0.4000 1
359 159 36 VAL CB C 34.36 0.4000 1
360 159 36 VAL CG1 C 21.28 0.4000 1
361 159 36 VAL CG2 C 21.93 0.4000 1
362 159 36 VAL N N 125.08 0.4000 1
363 160 37 THR H H 8.97 0.0300 1
364 160 37 THR HA H 4.84 0.0300 1
365 160 37 THR HB H 4.30 0.0300 1
366 160 37 THR HG2 H 0.97 0.0300 1
367 160 37 THR C C 172.61 0.4000 1
368 160 37 THR CA C 59.72 0.4000 1
369 160 37 THR CB C 71.95 0.4000 1
370 160 37 THR CG2 C 21.75 0.4000 1
371 160 37 THR N N 117.62 0.4000 1
372 161 38 ARG H H 8.50 0.0300 1
373 161 38 ARG HA H 4.83 0.0300 1
374 161 38 ARG HB2 H 1.79 0.0300 2
375 161 38 ARG HB3 H 1.64 0.0300 2
376 161 38 ARG HD2 H 3.10 0.0300 1
377 161 38 ARG HD3 H 3.10 0.0300 1
378 161 38 ARG HG2 H 1.55 0.0300 1
379 161 38 ARG HG3 H 1.55 0.0300 1
380 161 38 ARG C C 176.28 0.4000 1
381 161 38 ARG CA C 55.08 0.4000 1
382 161 38 ARG CB C 32.43 0.4000 1
383 161 38 ARG CD C 43.45 0.4000 1
384 161 38 ARG CG C 27.33 0.4000 1
385 161 38 ARG N N 119.36 0.4000 1
386 162 39 LYS H H 8.61 0.0300 1
387 162 39 LYS HA H 4.20 0.0300 1
388 162 39 LYS HB2 H 1.74 0.0300 1
389 162 39 LYS HB3 H 1.74 0.0300 1
390 162 39 LYS HD2 H 1.75 0.0300 1
391 162 39 LYS HD3 H 1.75 0.0300 1
392 162 39 LYS HE2 H 3.04 0.0300 1
393 162 39 LYS HE3 H 3.04 0.0300 1
394 162 39 LYS C C 175.46 0.4000 1
395 162 39 LYS CA C 56.57 0.4000 1
396 162 39 LYS CB C 33.63 0.4000 1
397 162 39 LYS CD C 29.37 0.4000 1
398 162 39 LYS CE C 42.01 0.4000 1
399 162 39 LYS N N 125.11 0.4000 1
400 163 40 ALA H H 8.43 0.0300 1
401 163 40 ALA HA H 4.55 0.0300 1
402 163 40 ALA HB H 1.35 0.0300 1
403 163 40 ALA CA C 50.47 0.4000 1
404 163 40 ALA CB C 18.14 0.4000 1
405 163 40 ALA N N 127.66 0.4000 1
406 164 41 PRO HA H 4.46 0.0300 1
407 164 41 PRO HB2 H 2.30 0.0300 2
408 164 41 PRO HB3 H 1.92 0.0300 2
409 164 41 PRO HD2 H 3.79 0.0300 2
410 164 41 PRO HD3 H 3.62 0.0300 2
411 164 41 PRO HG2 H 2.05 0.0300 1
412 164 41 PRO HG3 H 2.05 0.0300 1
413 164 41 PRO C C 176.95 0.4000 1
414 164 41 PRO CA C 62.90 0.4000 1
415 164 41 PRO CB C 32.31 0.4000 1
416 164 41 PRO CD C 50.51 0.4000 1
417 164 41 PRO CG C 27.43 0.4000 1
418 165 42 SER H H 8.57 0.0300 1
419 165 42 SER HA H 4.45 0.0300 1
420 165 42 SER HB2 H 3.94 0.0300 2
421 165 42 SER HB3 H 3.86 0.0300 2
422 165 42 SER C C 174.88 0.4000 1
423 165 42 SER CA C 58.24 0.4000 1
424 165 42 SER CB C 63.98 0.4000 1
425 165 42 SER N N 116.61 0.4000 1
426 166 43 ARG H H 8.44 0.0300 1
427 166 43 ARG HA H 4.34 0.0300 1
428 166 43 ARG HB2 H 1.88 0.0300 2
429 166 43 ARG HB3 H 1.79 0.0300 2
430 166 43 ARG HD2 H 3.21 0.0300 1
431 166 43 ARG HD3 H 3.21 0.0300 1
432 166 43 ARG HG2 H 1.64 0.0300 1
433 166 43 ARG HG3 H 1.64 0.0300 1
434 166 43 ARG C C 175.88 0.4000 1
435 166 43 ARG CA C 56.39 0.4000 1
436 166 43 ARG CB C 30.65 0.4000 1
437 166 43 ARG CD C 43.51 0.4000 1
438 166 43 ARG CG C 26.93 0.4000 1
439 166 43 ARG N N 122.43 0.4000 1
440 167 44 ASP H H 8.32 0.0300 1
441 167 44 ASP HA H 4.63 0.0300 1
442 167 44 ASP HB2 H 2.72 0.0300 2
443 167 44 ASP HB3 H 2.55 0.0300 2
444 167 44 ASP C C 175.56 0.4000 1
445 167 44 ASP CA C 54.32 0.4000 1
446 167 44 ASP CB C 41.11 0.4000 1
447 167 44 ASP N N 119.79 0.4000 1
448 168 45 GLU H H 7.95 0.0300 1
449 168 45 GLU N N 121.48 0.4000 1
450 169 46 PRO HA H 4.45 0.0300 1
451 169 46 PRO HB2 H 2.32 0.0300 2
452 169 46 PRO HB3 H 1.97 0.0300 2
453 169 46 PRO HD2 H 3.72 0.0300 2
454 169 46 PRO HD3 H 3.83 0.0300 2
455 169 46 PRO HG2 H 2.10 0.0300 2
456 169 46 PRO HG3 H 2.14 0.0300 2
457 169 46 PRO C C 177.00 0.4000 1
458 169 46 PRO CA C 63.38 0.4000 1
459 169 46 PRO CB C 32.04 0.4000 1
460 169 46 PRO CD C 50.59 0.4000 1
461 169 46 PRO CG C 27.78 0.4000 1
462 170 47 CYS H H 8.53 0.0300 1
463 170 47 CYS HA H 4.52 0.0300 1
464 170 47 CYS HB2 H 2.97 0.0300 1
465 170 47 CYS HB3 H 2.97 0.0300 1
466 170 47 CYS C C 174.75 0.4000 1
467 170 47 CYS CA C 58.55 0.4000 1
468 170 47 CYS CB C 27.95 0.4000 1
469 170 47 CYS N N 119.03 0.4000 1
470 171 48 SER H H 8.43 0.0300 1
471 171 48 SER N N 117.94 0.4000 1
472 172 49 SER HA H 4.52 0.0300 1
473 172 49 SER HB2 H 3.98 0.0300 2
474 172 49 SER HB3 H 3.88 0.0300 2
475 172 49 SER C C 174.92 0.4000 1
476 172 49 SER CA C 58.77 0.4000 1
477 172 49 SER CB C 63.70 0.4000 1
478 173 50 THR H H 8.12 0.0300 1
479 173 50 THR HA H 4.32 0.0300 1
480 173 50 THR HB H 4.31 0.0300 1
481 173 50 THR HG2 H 1.11 0.0300 1
482 173 50 THR C C 174.54 0.4000 1
483 173 50 THR CA C 61.94 0.4000 1
484 173 50 THR CB C 69.56 0.4000 1
485 173 50 THR CG2 C 21.86 0.4000 1
486 173 50 THR N N 114.57 0.4000 1
487 174 51 SER H H 8.18 0.0300 1
488 174 51 SER HA H 4.44 0.0300 1
489 174 51 SER HB2 H 3.98 0.0300 2
490 174 51 SER HB3 H 3.88 0.0300 2
491 174 51 SER C C 173.83 0.4000 1
492 174 51 SER CA C 58.19 0.4000 1
493 174 51 SER CB C 63.80 0.4000 1
494 174 51 SER N N 117.80 0.4000 1
495 175 52 ARG H H 8.23 0.0300 1
496 175 52 ARG HA H 4.65 0.0300 1
497 175 52 ARG HB2 H 1.87 0.0300 2
498 175 52 ARG HB3 H 1.74 0.0300 2
499 175 52 ARG HD2 H 3.22 0.0300 1
500 175 52 ARG HD3 H 3.22 0.0300 1
501 175 52 ARG HG2 H 1.66 0.0300 1
502 175 52 ARG HG3 H 1.66 0.0300 1
503 175 52 ARG CA C 54.36 0.4000 1
504 175 52 ARG CB C 30.21 0.4000 1
505 175 52 ARG CD C 43.44 0.4000 1
506 175 52 ARG CG C 26.70 0.4000 1
507 175 52 ARG N N 123.59 0.4000 1
508 176 53 PRO HA H 4.38 0.0300 1
509 176 53 PRO HB2 H 2.29 0.0300 2
510 176 53 PRO HB3 H 1.85 0.0300 2
511 176 53 PRO HD2 H 3.78 0.0300 2
512 176 53 PRO HD3 H 3.63 0.0300 2
513 176 53 PRO HG2 H 2.02 0.0300 2
514 176 53 PRO HG3 H 1.97 0.0300 2
515 176 53 PRO C C 176.34 0.4000 1
516 176 53 PRO CA C 63.20 0.4000 1
517 176 53 PRO CB C 32.07 0.4000 1
518 176 53 PRO CD C 50.63 0.4000 1
519 176 53 PRO CG C 27.45 0.4000 1
520 177 54 ALA H H 8.33 0.0300 1
521 177 54 ALA HA H 4.30 0.0300 1
522 177 54 ALA HB H 1.35 0.0300 1
523 177 54 ALA C C 177.54 0.4000 1
524 177 54 ALA CA C 52.44 0.4000 1
525 177 54 ALA CB C 19.11 0.4000 1
526 177 54 ALA N N 124.26 0.4000 1
527 178 55 LEU H H 8.42 0.0300 1
528 178 55 LEU HA H 4.41 0.0300 1
529 178 55 LEU HB2 H 1.67 0.0300 1
530 178 55 LEU HB3 H 1.67 0.0300 1
531 178 55 LEU HD1 H 0.93 0.0300 2
532 178 55 LEU HD2 H 0.89 0.0300 2
533 178 55 LEU HG H 1.66 0.0300 1
534 178 55 LEU C C 177.92 0.4000 1
535 178 55 LEU CA C 55.07 0.4000 1
536 178 55 LEU CB C 42.79 0.4000 1
537 178 55 LEU CD1 C 25.19 0.4000 1
538 178 55 LEU CD2 C 23.43 0.4000 1
539 178 55 LEU CG C 26.66 0.4000 1
540 178 55 LEU N N 122.16 0.4000 1
541 179 56 GLU H H 8.47 0.0300 1
542 179 56 GLU HA H 4.28 0.0300 1
543 179 56 GLU HB2 H 1.99 0.0300 1
544 179 56 GLU HB3 H 1.99 0.0300 1
545 179 56 GLU HG2 H 2.21 0.0300 1
546 179 56 GLU HG3 H 2.21 0.0300 1
547 179 56 GLU C C 177.89 0.4000 1
548 179 56 GLU CA C 57.72 0.4000 1
549 179 56 GLU CB C 29.52 0.4000 1
550 179 56 GLU CG C 36.36 0.4000 1
551 179 56 GLU N N 121.76 0.4000 1
552 180 57 GLU H H 8.47 0.0300 1
553 180 57 GLU HA H 4.28 0.0300 1
554 180 57 GLU HB2 H 2.05 0.0300 2
555 180 57 GLU HB3 H 1.91 0.0300 2
556 180 57 GLU HG2 H 2.28 0.0300 1
557 180 57 GLU HG3 H 2.28 0.0300 1
558 180 57 GLU C C 176.24 0.4000 1
559 180 57 GLU CA C 57.62 0.4000 1
560 180 57 GLU CB C 30.14 0.4000 1
561 180 57 GLU CG C 36.41 0.4000 1
562 180 57 GLU N N 118.89 0.4000 1
563 181 58 ASP H H 8.15 0.0300 1
564 181 58 ASP HA H 4.81 0.0300 1
565 181 58 ASP HB2 H 2.71 0.0300 1
566 181 58 ASP HB3 H 2.71 0.0300 1
567 181 58 ASP C C 174.91 0.4000 1
568 181 58 ASP CA C 54.23 0.4000 1
569 181 58 ASP CB C 41.87 0.4000 1
570 181 58 ASP N N 119.93 0.4000 1
571 182 59 VAL H H 7.69 0.0300 1
572 182 59 VAL HA H 4.39 0.0300 1
573 182 59 VAL HB H 1.89 0.0300 1
574 182 59 VAL HG1 H 0.67 0.0300 2
575 182 59 VAL HG2 H 0.40 0.0300 2
576 182 59 VAL C C 174.22 0.4000 1
577 182 59 VAL CA C 62.02 0.4000 1
578 182 59 VAL CB C 33.62 0.4000 1
579 182 59 VAL CG1 C 21.23 0.4000 1
580 182 59 VAL CG2 C 21.57 0.4000 1
581 182 59 VAL N N 118.74 0.4000 1
582 183 60 ILE H H 8.75 0.0300 1
583 183 60 ILE HA H 4.34 0.0300 1
584 183 60 ILE HB H 1.70 0.0300 1
585 183 60 ILE HD1 H 0.70 0.0300 1
586 183 60 ILE HG12 H 1.29 0.0300 2
587 183 60 ILE HG13 H 1.02 0.0300 2
588 183 60 ILE HG2 H 0.44 0.0300 1
589 183 60 ILE C C 175.41 0.4000 1
590 183 60 ILE CA C 59.01 0.4000 1
591 183 60 ILE CB C 39.07 0.4000 1
592 183 60 ILE CD1 C 12.14 0.4000 1
593 183 60 ILE CG1 C 26.98 0.4000 1
594 183 60 ILE CG2 C 17.10 0.4000 1
595 183 60 ILE N N 125.16 0.4000 1
596 184 61 TYR H H 8.51 0.0300 1
597 184 61 TYR HA H 4.90 0.0300 1
598 184 61 TYR HB2 H 2.70 0.0300 2
599 184 61 TYR HB3 H 2.59 0.0300 2
600 184 61 TYR HD1 H 6.90 0.0300 1
601 184 61 TYR HD2 H 6.90 0.0300 1
602 184 61 TYR HE1 H 7.06 0.0300 1
603 184 61 TYR HE2 H 7.06 0.0300 1
604 184 61 TYR C C 174.44 0.4000 1
605 184 61 TYR CA C 57.86 0.4000 1
606 184 61 TYR CB C 41.12 0.4000 1
607 184 61 TYR CD1 C 132.39 0.4000 1
608 184 61 TYR CE1 C 118.66 0.4000 1
609 184 61 TYR N N 123.36 0.4000 1
610 185 62 HIS H H 9.16 0.0300 1
611 185 62 HIS HA H 5.22 0.0300 1
612 185 62 HIS HB2 H 3.05 0.0300 2
613 185 62 HIS HB3 H 2.69 0.0300 2
614 185 62 HIS HD2 H 6.82 0.0300 1
615 185 62 HIS HE1 H 7.39 0.0300 1
616 185 62 HIS C C 175.95 0.4000 1
617 185 62 HIS CA C 54.67 0.4000 1
618 185 62 HIS CB C 31.03 0.4000 1
619 185 62 HIS CD2 C 113.98 0.4000 1
620 185 62 HIS CE1 C 137.49 0.4000 1
621 185 62 HIS N N 124.63 0.4000 1
622 186 63 VAL H H 9.40 0.0300 1
623 186 63 VAL HA H 5.40 0.0300 1
624 186 63 VAL HB H 1.71 0.0300 1
625 186 63 VAL HG1 H 0.56 0.0300 2
626 186 63 VAL HG2 H 0.31 0.0300 2
627 186 63 VAL C C 172.79 0.4000 1
628 186 63 VAL CA C 58.40 0.4000 1
629 186 63 VAL CB C 35.39 0.4000 1
630 186 63 VAL CG1 C 20.80 0.4000 1
631 186 63 VAL CG2 C 18.77 0.4000 1
632 186 63 VAL N N 118.79 0.4000 1
633 187 64 LYS H H 8.31 0.0300 1
634 187 64 LYS HA H 4.87 0.0300 1
635 187 64 LYS HB2 H 1.68 0.0300 2
636 187 64 LYS HB3 H 1.63 0.0300 2
637 187 64 LYS HD2 H 1.66 0.0300 2
638 187 64 LYS HD3 H 1.61 0.0300 2
639 187 64 LYS HE2 H 2.92 0.0300 1
640 187 64 LYS HE3 H 2.92 0.0300 1
641 187 64 LYS HG2 H 1.44 0.0300 2
642 187 64 LYS HG3 H 1.32 0.0300 2
643 187 64 LYS C C 176.62 0.4000 1
644 187 64 LYS CA C 54.07 0.4000 1
645 187 64 LYS CB C 35.96 0.4000 1
646 187 64 LYS CD C 29.62 0.4000 1
647 187 64 LYS CE C 41.99 0.4000 1
648 187 64 LYS CG C 24.43 0.4000 1
649 187 64 LYS N N 118.36 0.4000 1
650 188 65 TYR H H 9.88 0.0300 1
651 188 65 TYR HA H 4.83 0.0300 1
652 188 65 TYR HB2 H 3.44 0.0300 1
653 188 65 TYR HB3 H 3.44 0.0300 1
654 188 65 TYR HD1 H 7.22 0.0300 1
655 188 65 TYR HD2 H 7.22 0.0300 1
656 188 65 TYR HE1 H 6.70 0.0300 1
657 188 65 TYR HE2 H 6.70 0.0300 1
658 188 65 TYR C C 177.46 0.4000 1
659 188 65 TYR CA C 58.59 0.4000 1
660 188 65 TYR CB C 39.60 0.4000 1
661 188 65 TYR CD1 C 132.77 0.4000 1
662 188 65 TYR CE1 C 117.90 0.4000 1
663 188 65 TYR N N 125.58 0.4000 1
664 189 66 ASP H H 8.98 0.0300 1
665 189 66 ASP HA H 4.29 0.0300 1
666 189 66 ASP HB2 H 2.70 0.0300 2
667 189 66 ASP HB3 H 2.56 0.0300 2
668 189 66 ASP C C 177.53 0.4000 1
669 189 66 ASP CA C 57.49 0.4000 1
670 189 66 ASP CB C 40.02 0.4000 1
671 189 66 ASP N N 127.93 0.4000 1
672 190 67 ASP H H 9.14 0.0300 1
673 190 67 ASP HA H 4.80 0.0300 1
674 190 67 ASP HB2 H 2.48 0.0300 1
675 190 67 ASP HB3 H 2.48 0.0300 1
676 190 67 ASP C C 174.86 0.4000 1
677 190 67 ASP CA C 53.92 0.4000 1
678 190 67 ASP CB C 41.43 0.4000 1
679 190 67 ASP N N 113.56 0.4000 1
680 191 68 TYR H H 7.14 0.0300 1
681 191 68 TYR HA H 5.15 0.0300 1
682 191 68 TYR HB2 H 3.24 0.0300 1
683 191 68 TYR HB3 H 3.24 0.0300 1
684 191 68 TYR HD1 H 7.01 0.0300 1
685 191 68 TYR HD2 H 7.01 0.0300 1
686 191 68 TYR HE1 H 6.89 0.0300 1
687 191 68 TYR HE2 H 6.89 0.0300 1
688 191 68 TYR CA C 55.35 0.4000 1
689 191 68 TYR CB C 38.49 0.4000 1
690 191 68 TYR CD1 C 134.22 0.4000 1
691 191 68 TYR CE1 C 118.53 0.4000 1
692 191 68 TYR N N 113.96 0.4000 1
693 192 69 PRO HA H 4.50 0.0300 1
694 192 69 PRO HB2 H 2.40 0.0300 1
695 192 69 PRO HB3 H 2.40 0.0300 1
696 192 69 PRO HD2 H 3.71 0.0300 2
697 192 69 PRO HD3 H 3.82 0.0300 2
698 192 69 PRO HG2 H 2.13 0.0300 1
699 192 69 PRO HG3 H 2.13 0.0300 1
700 192 69 PRO C C 179.41 0.4000 1
701 192 69 PRO CA C 65.41 0.4000 1
702 192 69 PRO CB C 30.93 0.4000 1
703 192 69 PRO CD C 50.72 0.4000 1
704 192 69 PRO CG C 27.37 0.4000 1
705 193 70 GLU H H 10.38 0.0300 1
706 193 70 GLU HA H 4.27 0.0300 1
707 193 70 GLU HB2 H 2.07 0.0300 1
708 193 70 GLU HB3 H 2.07 0.0300 1
709 193 70 GLU HG2 H 2.43 0.0300 2
710 193 70 GLU HG3 H 2.35 0.0300 2
711 193 70 GLU C C 177.22 0.4000 1
712 193 70 GLU CA C 58.37 0.4000 1
713 193 70 GLU CB C 27.85 0.4000 1
714 193 70 GLU CG C 35.51 0.4000 1
715 193 70 GLU N N 120.68 0.4000 1
716 194 71 ASN H H 7.84 0.0300 1
717 194 71 ASN HA H 4.62 0.0300 1
718 194 71 ASN HB2 H 2.99 0.0300 2
719 194 71 ASN HB3 H 2.83 0.0300 2
720 194 71 ASN HD21 H 6.88 0.0300 2
721 194 71 ASN HD22 H 7.37 0.0300 2
722 194 71 ASN C C 175.36 0.4000 1
723 194 71 ASN CA C 54.86 0.4000 1
724 194 71 ASN CB C 39.30 0.4000 1
725 194 71 ASN N N 119.50 0.4000 1
726 194 71 ASN ND2 N 109.50 0.4000 1
727 195 72 GLY H H 7.92 0.0300 1
728 195 72 GLY HA2 H 4.02 0.0300 2
729 195 72 GLY HA3 H 3.87 0.0300 2
730 195 72 GLY C C 172.05 0.4000 1
731 195 72 GLY CA C 45.36 0.4000 1
732 195 72 GLY N N 106.07 0.4000 1
733 196 73 VAL H H 8.30 0.0300 1
734 196 73 VAL HA H 4.47 0.0300 1
735 196 73 VAL HB H 1.95 0.0300 1
736 196 73 VAL HG1 H 0.95 0.0300 2
737 196 73 VAL HG2 H 0.87 0.0300 2
738 196 73 VAL C C 176.42 0.4000 1
739 196 73 VAL CA C 61.95 0.4000 1
740 196 73 VAL CB C 32.43 0.4000 1
741 196 73 VAL CG1 C 22.23 0.4000 1
742 196 73 VAL CG2 C 23.07 0.4000 1
743 196 73 VAL N N 121.68 0.4000 1
744 197 74 VAL H H 9.40 0.0300 1
745 197 74 VAL HA H 4.41 0.0300 1
746 197 74 VAL HB H 1.88 0.0300 1
747 197 74 VAL HG1 H 0.95 0.0300 2
748 197 74 VAL HG2 H 0.84 0.0300 2
749 197 74 VAL C C 175.05 0.4000 1
750 197 74 VAL CA C 60.60 0.4000 1
751 197 74 VAL CB C 34.64 0.4000 1
752 197 74 VAL CG1 C 21.82 0.4000 1
753 197 74 VAL CG2 C 20.50 0.4000 1
754 197 74 VAL N N 128.13 0.4000 1
755 198 75 GLN H H 8.40 0.0300 1
756 198 75 GLN HA H 4.31 0.0300 1
757 198 75 GLN HB2 H 1.80 0.0300 2
758 198 75 GLN HB3 H 1.58 0.0300 2
759 198 75 GLN HE21 H 6.80 0.0300 2
760 198 75 GLN HE22 H 7.36 0.0300 2
761 198 75 GLN HG2 H 1.76 0.0300 2
762 198 75 GLN HG3 H 1.49 0.0300 2
763 198 75 GLN C C 175.36 0.4000 1
764 198 75 GLN CA C 56.40 0.4000 1
765 198 75 GLN CB C 29.08 0.4000 1
766 198 75 GLN CG C 34.26 0.4000 1
767 198 75 GLN N N 124.35 0.4000 1
768 198 75 GLN NE2 N 111.89 0.4000 1
769 199 76 MET H H 9.38 0.0300 1
770 199 76 MET HA H 4.93 0.0300 1
771 199 76 MET HB2 H 2.26 0.0300 1
772 199 76 MET HB3 H 2.26 0.0300 1
773 199 76 MET HE H 1.91 0.0300 1
774 199 76 MET C C 175.41 0.4000 1
775 199 76 MET CA C 53.47 0.4000 1
776 199 76 MET CB C 35.26 0.4000 1
777 199 76 MET CE C 18.87 0.4000 1
778 199 76 MET N N 123.68 0.4000 1
779 200 77 ASN H H 9.10 0.0300 1
780 200 77 ASN HA H 4.90 0.0300 1
781 200 77 ASN HB2 H 3.03 0.0300 2
782 200 77 ASN HB3 H 2.82 0.0300 2
783 200 77 ASN HD21 H 7.02 0.0300 2
784 200 77 ASN HD22 H 7.86 0.0300 2
785 200 77 ASN C C 176.97 0.4000 1
786 200 77 ASN CA C 53.48 0.4000 1
787 200 77 ASN CB C 39.64 0.4000 1
788 200 77 ASN N N 120.43 0.4000 1
789 200 77 ASN ND2 N 113.92 0.4000 1
790 201 78 SER H H 9.00 0.0300 1
791 201 78 SER HA H 4.30 0.0300 1
792 201 78 SER HB2 H 4.33 0.0300 1
793 201 78 SER HB3 H 4.33 0.0300 1
794 201 78 SER C C 176.56 0.4000 1
795 201 78 SER CA C 61.94 0.4000 1
796 201 78 SER CB C 62.77 0.4000 1
797 201 78 SER N N 118.68 0.4000 1
798 202 79 ARG H H 8.50 0.0300 1
799 202 79 ARG HA H 4.50 0.0300 1
800 202 79 ARG HB2 H 2.00 0.0300 2
801 202 79 ARG HB3 H 1.93 0.0300 2
802 202 79 ARG HD2 H 3.26 0.0300 1
803 202 79 ARG HD3 H 3.26 0.0300 1
804 202 79 ARG C C 176.69 0.4000 1
805 202 79 ARG CA C 57.64 0.4000 1
806 202 79 ARG CB C 29.79 0.4000 1
807 202 79 ARG CD C 43.58 0.4000 1
808 202 79 ARG N N 118.15 0.4000 1
809 203 80 ASP H H 8.03 0.0300 1
810 203 80 ASP HA H 4.92 0.0300 1
811 203 80 ASP HB2 H 2.75 0.0300 1
812 203 80 ASP HB3 H 2.75 0.0300 1
813 203 80 ASP C C 172.48 0.4000 1
814 203 80 ASP CA C 54.73 0.4000 1
815 203 80 ASP CB C 43.05 0.4000 1
816 203 80 ASP N N 119.67 0.4000 1
817 204 81 VAL H H 7.51 0.0300 1
818 204 81 VAL HA H 4.94 0.0300 1
819 204 81 VAL HB H 1.60 0.0300 1
820 204 81 VAL HG1 H 0.71 0.0300 2
821 204 81 VAL HG2 H 0.07 0.0300 2
822 204 81 VAL C C 173.62 0.4000 1
823 204 81 VAL CA C 61.53 0.4000 1
824 204 81 VAL CB C 35.35 0.4000 1
825 204 81 VAL CG1 C 22.52 0.4000 1
826 204 81 VAL CG2 C 21.83 0.4000 1
827 204 81 VAL N N 117.37 0.4000 1
828 205 82 ARG H H 8.75 0.0300 1
829 205 82 ARG HA H 4.62 0.0300 1
830 205 82 ARG HB2 H 1.66 0.0300 1
831 205 82 ARG HB3 H 1.66 0.0300 1
832 205 82 ARG HD2 H 3.23 0.0300 1
833 205 82 ARG HD3 H 3.23 0.0300 1
834 205 82 ARG C C 174.15 0.4000 1
835 205 82 ARG CA C 53.95 0.4000 1
836 205 82 ARG CB C 33.88 0.4000 1
837 205 82 ARG CD C 43.39 0.4000 1
838 205 82 ARG N N 121.81 0.4000 1
839 206 83 ALA H H 7.67 0.0300 1
840 206 83 ALA HA H 3.94 0.0300 1
841 206 83 ALA HB H 1.40 0.0300 1
842 206 83 ALA C C 176.34 0.4000 1
843 206 83 ALA CA C 52.70 0.4000 1
844 206 83 ALA CB C 18.68 0.4000 1
845 206 83 ALA N N 120.89 0.4000 1
846 207 84 ARG H H 7.63 0.0300 1
847 207 84 ARG HA H 3.66 0.0300 1
848 207 84 ARG HB2 H 1.31 0.0300 1
849 207 84 ARG HB3 H 1.31 0.0300 1
850 207 84 ARG HG3 H 1.49 0.0300 1
851 207 84 ARG C C 176.08 0.4000 1
852 207 84 ARG CA C 55.93 0.4000 1
853 207 84 ARG CB C 29.58 0.4000 1
854 207 84 ARG N N 119.29 0.4000 1
855 208 85 ALA H H 7.95 0.0300 1
856 208 85 ALA HA H 4.13 0.0300 1
857 208 85 ALA HB H 0.83 0.0300 1
858 208 85 ALA CA C 53.47 0.4000 1
859 208 85 ALA CB C 18.53 0.4000 1
860 208 85 ALA N N 128.93 0.4000 1
861 209 86 ARG HA H 4.65 0.0300 1
862 209 86 ARG HB2 H 1.81 0.0300 1
863 209 86 ARG HB3 H 1.81 0.0300 1
864 209 86 ARG HD2 H 3.14 0.0300 1
865 209 86 ARG HD3 H 3.14 0.0300 1
866 209 86 ARG HG2 H 1.67 0.0300 2
867 209 86 ARG HG3 H 1.52 0.0300 2
868 209 86 ARG C C 175.44 0.4000 1
869 209 86 ARG CA C 56.65 0.4000 1
870 209 86 ARG CB C 33.62 0.4000 1
871 209 86 ARG CD C 43.51 0.4000 1
872 209 86 ARG CG C 26.30 0.4000 1
873 210 87 THR H H 9.40 0.0300 1
874 210 87 THR HA H 4.46 0.0300 1
875 210 87 THR HB H 4.13 0.0300 1
876 210 87 THR HG2 H 1.15 0.0300 1
877 210 87 THR C C 172.07 0.4000 1
878 210 87 THR CA C 62.64 0.4000 1
879 210 87 THR CB C 70.02 0.4000 1
880 210 87 THR CG2 C 22.18 0.4000 1
881 210 87 THR N N 122.51 0.4000 1
882 211 88 ILE H H 8.22 0.0300 1
883 211 88 ILE HA H 4.04 0.0300 1
884 211 88 ILE HB H 1.46 0.0300 1
885 211 88 ILE HD1 H 0.40 0.0300 1
886 211 88 ILE HG12 H 0.94 0.0300 2
887 211 88 ILE HG13 H 0.03 0.0300 2
888 211 88 ILE HG2 H 0.59 0.0300 1
889 211 88 ILE C C 176.77 0.4000 1
890 211 88 ILE CA C 59.84 0.4000 1
891 211 88 ILE CB C 38.93 0.4000 1
892 211 88 ILE CD1 C 12.00 0.4000 1
893 211 88 ILE CG1 C 28.19 0.4000 1
894 211 88 ILE CG2 C 17.10 0.4000 1
895 211 88 ILE N N 129.31 0.4000 1
896 212 89 ILE H H 8.96 0.0300 1
897 212 89 ILE HA H 3.99 0.0300 1
898 212 89 ILE HB H 1.48 0.0300 1
899 212 89 ILE HD1 H 0.73 0.0300 1
900 212 89 ILE HG12 H 0.83 0.0300 1
901 212 89 ILE HG13 H 0.83 0.0300 1
902 212 89 ILE HG2 H 0.83 0.0300 1
903 212 89 ILE C C 174.62 0.4000 1
904 212 89 ILE CA C 60.61 0.4000 1
905 212 89 ILE CB C 38.51 0.4000 1
906 212 89 ILE CD1 C 14.10 0.4000 1
907 212 89 ILE CG1 C 27.35 0.4000 1
908 212 89 ILE CG2 C 18.15 0.4000 1
909 212 89 ILE N N 130.98 0.4000 1
910 213 90 LYS H H 8.76 0.0300 1
911 213 90 LYS HA H 4.17 0.0300 1
912 213 90 LYS HB2 H 1.59 0.0300 1
913 213 90 LYS HB3 H 1.59 0.0300 1
914 213 90 LYS HD2 H 1.69 0.0300 1
915 213 90 LYS HD3 H 1.69 0.0300 1
916 213 90 LYS HE2 H 3.00 0.0300 1
917 213 90 LYS HE3 H 3.00 0.0300 1
918 213 90 LYS HG2 H 1.41 0.0300 2
919 213 90 LYS HG3 H 1.36 0.0300 2
920 213 90 LYS C C 177.45 0.4000 1
921 213 90 LYS CA C 56.66 0.4000 1
922 213 90 LYS CB C 33.63 0.4000 1
923 213 90 LYS CD C 29.61 0.4000 1
924 213 90 LYS CE C 42.12 0.4000 1
925 213 90 LYS CG C 24.90 0.4000 1
926 213 90 LYS N N 126.17 0.4000 1
927 214 91 TRP H H 9.18 0.0300 1
928 214 91 TRP HA H 4.28 0.0300 1
929 214 91 TRP HB2 H 3.45 0.0300 2
930 214 91 TRP HB3 H 3.11 0.0300 2
931 214 91 TRP HD1 H 7.19 0.0300 1
932 214 91 TRP HE3 H 7.23 0.0300 1
933 214 91 TRP HH2 H 7.54 0.0300 1
934 214 91 TRP HZ2 H 7.27 0.0300 1
935 214 91 TRP C C 178.07 0.4000 1
936 214 91 TRP CA C 60.60 0.4000 1
937 214 91 TRP CB C 29.72 0.4000 1
938 214 91 TRP CD1 C 128.09 0.4000 1
939 214 91 TRP CH2 C 121.29 0.4000 1
940 214 91 TRP CZ2 C 114.05 0.4000 1
941 214 91 TRP N N 121.62 0.4000 1
942 215 92 GLN H H 9.13 0.0300 1
943 215 92 GLN HA H 3.80 0.0300 1
944 215 92 GLN HB2 H 2.07 0.0300 1
945 215 92 GLN HB3 H 2.07 0.0300 1
946 215 92 GLN HE21 H 7.01 0.0300 2
947 215 92 GLN HE22 H 7.84 0.0300 2
948 215 92 GLN HG2 H 2.49 0.0300 2
949 215 92 GLN HG3 H 2.45 0.0300 2
950 215 92 GLN C C 175.50 0.4000 1
951 215 92 GLN CA C 58.55 0.4000 1
952 215 92 GLN CB C 28.23 0.4000 1
953 215 92 GLN CG C 33.57 0.4000 1
954 215 92 GLN N N 114.63 0.4000 1
955 215 92 GLN NE2 N 113.11 0.4000 1
956 216 93 ASP H H 7.81 0.0300 1
957 216 93 ASP HA H 4.60 0.0300 1
958 216 93 ASP HB2 H 2.75 0.0300 2
959 216 93 ASP HB3 H 2.60 0.0300 2
960 216 93 ASP C C 175.92 0.4000 1
961 216 93 ASP CA C 54.37 0.4000 1
962 216 93 ASP CB C 42.28 0.4000 1
963 216 93 ASP N N 117.30 0.4000 1
964 217 94 LEU H H 6.96 0.0300 1
965 217 94 LEU HA H 4.52 0.0300 1
966 217 94 LEU HB2 H 1.26 0.0300 1
967 217 94 LEU HB3 H 1.26 0.0300 1
968 217 94 LEU HD1 H 0.82 0.0300 1
969 217 94 LEU HG H 0.98 0.0300 1
970 217 94 LEU CA C 54.90 0.4000 1
971 217 94 LEU CB C 43.32 0.4000 1
972 217 94 LEU CD1 C 24.10 0.4000 1
973 217 94 LEU CG C 26.89 0.4000 1
974 217 94 LEU N N 121.89 0.4000 1
975 218 95 GLU HA H 4.58 0.0300 1
976 218 95 GLU HB2 H 1.90 0.0300 2
977 218 95 GLU HB3 H 1.65 0.0300 2
978 218 95 GLU HG2 H 2.21 0.0300 2
979 218 95 GLU HG3 H 2.13 0.0300 2
980 218 95 GLU C C 175.11 0.4000 1
981 218 95 GLU CA C 54.10 0.4000 1
982 218 95 GLU CB C 33.53 0.4000 1
983 218 95 GLU CG C 35.79 0.4000 1
984 219 96 VAL H H 8.54 0.0300 1
985 219 96 VAL HA H 3.24 0.0300 1
986 219 96 VAL HB H 1.90 0.0300 1
987 219 96 VAL HG1 H 0.91 0.0300 2
988 219 96 VAL HG2 H 0.90 0.0300 2
989 219 96 VAL C C 177.22 0.4000 1
990 219 96 VAL CA C 65.22 0.4000 1
991 219 96 VAL CB C 31.28 0.4000 1
992 219 96 VAL CG1 C 22.68 0.4000 1
993 219 96 VAL CG2 C 21.22 0.4000 1
994 219 96 VAL N N 121.64 0.4000 1
995 220 97 GLY H H 8.99 0.0300 1
996 220 97 GLY HA2 H 4.44 0.0300 2
997 220 97 GLY HA3 H 3.79 0.0300 2
998 220 97 GLY CA C 44.52 0.4000 1
999 220 97 GLY N N 116.25 0.4000 1
1000 221 98 GLN H H 7.66 0.0300 1
1001 221 98 GLN HA H 4.25 0.0300 1
1002 221 98 GLN HB2 H 2.23 0.0300 1
1003 221 98 GLN HB3 H 2.23 0.0300 1
1004 221 98 GLN HE21 H 6.41 0.0300 2
1005 221 98 GLN HE22 H 7.26 0.0300 2
1006 221 98 GLN HG2 H 2.43 0.0300 2
1007 221 98 GLN HG3 H 2.34 0.0300 2
1008 221 98 GLN C C 175.08 0.4000 1
1009 221 98 GLN CA C 56.58 0.4000 1
1010 221 98 GLN CB C 30.07 0.4000 1
1011 221 98 GLN CG C 34.41 0.4000 1
1012 221 98 GLN N N 120.58 0.4000 1
1013 221 98 GLN NE2 N 107.82 0.4000 1
1014 222 99 VAL H H 8.33 0.0300 1
1015 222 99 VAL HA H 5.17 0.0300 1
1016 222 99 VAL HB H 1.95 0.0300 1
1017 222 99 VAL HG1 H 1.00 0.0300 2
1018 222 99 VAL HG2 H 0.92 0.0300 2
1019 222 99 VAL C C 176.12 0.4000 1
1020 222 99 VAL CA C 62.15 0.4000 1
1021 222 99 VAL CB C 31.54 0.4000 1
1022 222 99 VAL CG1 C 21.39 0.4000 1
1023 222 99 VAL CG2 C 20.62 0.4000 1
1024 222 99 VAL N N 124.73 0.4000 1
1025 223 100 VAL H H 9.12 0.0300 1
1026 223 100 VAL HA H 4.72 0.0300 1
1027 223 100 VAL HB H 2.31 0.0300 1
1028 223 100 VAL HG1 H 0.72 0.0300 2
1029 223 100 VAL HG2 H 0.70 0.0300 2
1030 223 100 VAL C C 172.08 0.4000 1
1031 223 100 VAL CA C 59.48 0.4000 1
1032 223 100 VAL CB C 35.59 0.4000 1
1033 223 100 VAL CG1 C 22.17 0.4000 1
1034 223 100 VAL CG2 C 18.27 0.4000 1
1035 223 100 VAL N N 121.95 0.4000 1
1036 224 101 MET H H 8.94 0.0300 1
1037 224 101 MET HA H 5.77 0.0300 1
1038 224 101 MET HB2 H 1.69 0.0300 1
1039 224 101 MET HB3 H 1.69 0.0300 1
1040 224 101 MET HG2 H 2.55 0.0300 2
1041 224 101 MET HG3 H 2.45 0.0300 2
1042 224 101 MET C C 174.17 0.4000 1
1043 224 101 MET CA C 54.59 0.4000 1
1044 224 101 MET CB C 34.80 0.4000 1
1045 224 101 MET CG C 32.17 0.4000 1
1046 224 101 MET N N 120.22 0.4000 1
1047 225 102 LEU H H 9.75 0.0300 1
1048 225 102 LEU HA H 5.60 0.0300 1
1049 225 102 LEU HB2 H 2.17 0.0300 1
1050 225 102 LEU HB3 H 2.17 0.0300 1
1051 225 102 LEU HD1 H 0.64 0.0300 2
1052 225 102 LEU HD2 H 0.80 0.0300 2
1053 225 102 LEU C C 173.77 0.4000 1
1054 225 102 LEU CA C 53.89 0.4000 1
1055 225 102 LEU CB C 44.37 0.4000 1
1056 225 102 LEU CD1 C 27.30 0.4000 1
1057 225 102 LEU CD2 C 22.32 0.4000 1
1058 225 102 LEU N N 122.93 0.4000 1
1059 226 103 ASN H H 8.99 0.0300 1
1060 226 103 ASN HA H 5.01 0.0300 1
1061 226 103 ASN HB2 H 0.26 0.0300 1
1062 226 103 ASN HB3 H 0.26 0.0300 1
1063 226 103 ASN HD21 H 6.82 0.0300 2
1064 226 103 ASN HD22 H 7.50 0.0300 2
1065 226 103 ASN C C 173.89 0.4000 1
1066 226 103 ASN CA C 52.10 0.4000 1
1067 226 103 ASN CB C 40.30 0.4000 1
1068 226 103 ASN N N 121.60 0.4000 1
1069 226 103 ASN ND2 N 112.24 0.4000 1
1070 227 104 TYR H H 9.28 0.0300 1
1071 227 104 TYR HA H 4.76 0.0300 1
1072 227 104 TYR HB2 H 2.52 0.0300 1
1073 227 104 TYR HB3 H 2.52 0.0300 1
1074 227 104 TYR HD1 H 7.29 0.0300 1
1075 227 104 TYR HD2 H 7.29 0.0300 1
1076 227 104 TYR HE1 H 6.82 0.0300 1
1077 227 104 TYR HE2 H 6.82 0.0300 1
1078 227 104 TYR C C 173.11 0.4000 1
1079 227 104 TYR CA C 57.96 0.4000 1
1080 227 104 TYR CB C 43.05 0.4000 1
1081 227 104 TYR CD1 C 132.75 0.4000 1
1082 227 104 TYR CE1 C 118.11 0.4000 1
1083 227 104 TYR N N 125.33 0.4000 1
1084 228 105 ASN H H 7.43 0.0300 1
1085 228 105 ASN HA H 5.09 0.0300 1
1086 228 105 ASN HB2 H 1.69 0.0300 2
1087 228 105 ASN HB3 H 3.49 0.0300 2
1088 228 105 ASN HD21 H 7.23 0.0300 2
1089 228 105 ASN HD22 H 7.38 0.0300 2
1090 228 105 ASN CA C 48.84 0.4000 1
1091 228 105 ASN CB C 40.39 0.4000 1
1092 228 105 ASN N N 126.33 0.4000 1
1093 228 105 ASN ND2 N 112.21 0.4000 1
1094 229 106 PRO HA H 4.09 0.0300 1
1095 229 106 PRO HB2 H 2.24 0.0300 2
1096 229 106 PRO HB3 H 2.02 0.0300 2
1097 229 106 PRO HD2 H 4.00 0.0300 1
1098 229 106 PRO HD3 H 4.00 0.0300 1
1099 229 106 PRO HG2 H 2.21 0.0300 2
1100 229 106 PRO HG3 H 1.91 0.0300 2
1101 229 106 PRO C C 177.65 0.4000 1
1102 229 106 PRO CA C 64.46 0.4000 1
1103 229 106 PRO CB C 32.22 0.4000 1
1104 229 106 PRO CD C 50.77 0.4000 1
1105 229 106 PRO CG C 27.39 0.4000 1
1106 230 107 ASP H H 7.53 0.0300 1
1107 230 107 ASP HA H 4.59 0.0300 1
1108 230 107 ASP HB2 H 2.69 0.0300 2
1109 230 107 ASP HB3 H 2.59 0.0300 2
1110 230 107 ASP C C 176.02 0.4000 1
1111 230 107 ASP CA C 55.76 0.4000 1
1112 230 107 ASP CB C 41.87 0.4000 1
1113 230 107 ASP N N 114.55 0.4000 1
1114 231 108 ASN H H 7.07 0.0300 1
1115 231 108 ASN HA H 4.88 0.0300 1
1116 231 108 ASN HB2 H 2.63 0.0300 2
1117 231 108 ASN HB3 H 2.39 0.0300 2
1118 231 108 ASN HD21 H 6.90 0.0300 2
1119 231 108 ASN HD22 H 7.48 0.0300 2
1120 231 108 ASN CA C 51.02 0.4000 1
1121 231 108 ASN CB C 38.71 0.4000 1
1122 231 108 ASN N N 116.39 0.4000 1
1123 231 108 ASN ND2 N 112.88 0.4000 1
1124 232 109 PRO HA H 4.61 0.0300 1
1125 232 109 PRO HB2 H 2.58 0.0300 2
1126 232 109 PRO HB3 H 1.98 0.0300 2
1127 232 109 PRO HD2 H 3.59 0.0300 2
1128 232 109 PRO HD3 H 3.43 0.0300 2
1129 232 109 PRO HG2 H 2.00 0.0300 1
1130 232 109 PRO HG3 H 2.00 0.0300 1
1131 232 109 PRO C C 178.95 0.4000 1
1132 232 109 PRO CA C 65.12 0.4000 1
1133 232 109 PRO CB C 33.16 0.4000 1
1134 232 109 PRO CD C 50.56 0.4000 1
1135 232 109 PRO CG C 27.03 0.4000 1
1136 233 110 LYS H H 8.12 0.0300 1
1137 233 110 LYS HA H 4.28 0.0300 1
1138 233 110 LYS HB2 H 1.97 0.0300 2
1139 233 110 LYS HB3 H 1.76 0.0300 2
1140 233 110 LYS HD2 H 1.66 0.0300 1
1141 233 110 LYS HD3 H 1.66 0.0300 1
1142 233 110 LYS HE2 H 2.99 0.0300 1
1143 233 110 LYS HE3 H 2.99 0.0300 1
1144 233 110 LYS HG2 H 1.48 0.0300 2
1145 233 110 LYS HG3 H 1.37 0.0300 2
1146 233 110 LYS C C 175.78 0.4000 1
1147 233 110 LYS CA C 56.90 0.4000 1
1148 233 110 LYS CB C 32.10 0.4000 1
1149 233 110 LYS CD C 29.04 0.4000 1
1150 233 110 LYS CE C 41.96 0.4000 1
1151 233 110 LYS CG C 25.56 0.4000 1
1152 233 110 LYS N N 118.49 0.4000 1
1153 234 111 GLU H H 8.08 0.0300 1
1154 234 111 GLU HA H 4.66 0.0300 1
1155 234 111 GLU HB2 H 2.28 0.0300 1
1156 234 111 GLU HB3 H 2.28 0.0300 1
1157 234 111 GLU HG2 H 2.07 0.0300 1
1158 234 111 GLU HG3 H 2.07 0.0300 1
1159 234 111 GLU C C 175.76 0.4000 1
1160 234 111 GLU CA C 54.18 0.4000 1
1161 234 111 GLU CB C 32.91 0.4000 1
1162 234 111 GLU CG C 35.90 0.4000 1
1163 234 111 GLU N N 117.01 0.4000 1
1164 235 112 ARG H H 8.66 0.0300 1
1165 235 112 ARG HA H 3.87 0.0300 1
1166 235 112 ARG C C 176.61 0.4000 1
1167 235 112 ARG CA C 56.76 0.4000 1
1168 235 112 ARG N N 119.54 0.4000 1
1169 236 113 GLY H H 9.32 0.0300 1
1170 236 113 GLY HA2 H 4.06 0.0300 2
1171 236 113 GLY HA3 H 4.00 0.0300 2
1172 236 113 GLY C C 176.01 0.4000 1
1173 236 113 GLY CA C 44.81 0.4000 1
1174 236 113 GLY N N 117.24 0.4000 1
1175 237 114 PHE H H 8.02 0.0300 1
1176 237 114 PHE HD1 H 7.33 0.0300 1
1177 237 114 PHE HD2 H 7.33 0.0300 1
1178 237 114 PHE HE1 H 7.23 0.0300 1
1179 237 114 PHE HE2 H 7.23 0.0300 1
1180 237 114 PHE CD1 C 131.59 0.4000 1
1181 237 114 PHE CE1 C 129.65 0.4000 1
1182 237 114 PHE N N 130.52 0.4000 1
1183 238 115 TRP HA H 5.09 0.0300 1
1184 238 115 TRP HB2 H 3.40 0.0300 2
1185 238 115 TRP HB3 H 3.12 0.0300 2
1186 238 115 TRP C C 174.43 0.4000 1
1187 238 115 TRP CA C 56.30 0.4000 1
1188 238 115 TRP CB C 28.90 0.4000 1
1189 239 116 TYR H H 9.59 0.0300 1
1190 239 116 TYR HA H 5.28 0.0300 1
1191 239 116 TYR HB2 H 2.39 0.0300 2
1192 239 116 TYR HB3 H 3.64 0.0300 2
1193 239 116 TYR HD1 H 7.24 0.0300 1
1194 239 116 TYR HD2 H 7.24 0.0300 1
1195 239 116 TYR HE1 H 7.12 0.0300 1
1196 239 116 TYR HE2 H 7.12 0.0300 1
1197 239 116 TYR C C 175.90 0.4000 1
1198 239 116 TYR CA C 57.10 0.4000 1
1199 239 116 TYR CB C 44.56 0.4000 1
1200 239 116 TYR CD1 C 131.62 0.4000 1
1201 239 116 TYR CE1 C 118.25 0.4000 1
1202 239 116 TYR N N 121.95 0.4000 1
1203 240 117 ASP H H 9.24 0.0300 1
1204 240 117 ASP HA H 5.66 0.0300 1
1205 240 117 ASP HB2 H 2.52 0.0300 2
1206 240 117 ASP HB3 H 2.73 0.0300 2
1207 240 117 ASP C C 176.78 0.4000 1
1208 240 117 ASP CA C 54.45 0.4000 1
1209 240 117 ASP CB C 40.78 0.4000 1
1210 240 117 ASP N N 122.60 0.4000 1
1211 241 118 ALA H H 9.43 0.0300 1
1212 241 118 ALA HA H 5.17 0.0300 1
1213 241 118 ALA HB H 1.17 0.0300 1
1214 241 118 ALA C C 174.51 0.4000 1
1215 241 118 ALA CA C 51.11 0.4000 1
1216 241 118 ALA CB C 24.94 0.4000 1
1217 241 118 ALA N N 120.87 0.4000 1
1218 242 119 GLU H H 8.30 0.0300 1
1219 242 119 GLU HA H 5.25 0.0300 1
1220 242 119 GLU HB2 H 2.01 0.0300 1
1221 242 119 GLU HB3 H 2.01 0.0300 1
1222 242 119 GLU HG2 H 2.02 0.0300 1
1223 242 119 GLU HG3 H 2.02 0.0300 1
1224 242 119 GLU C C 177.00 0.4000 1
1225 242 119 GLU CA C 53.22 0.4000 1
1226 242 119 GLU CB C 33.04 0.4000 1
1227 242 119 GLU CG C 35.81 0.4000 1
1228 242 119 GLU N N 120.19 0.4000 1
1229 243 120 ILE H H 9.02 0.0300 1
1230 243 120 ILE HA H 3.94 0.0300 1
1231 243 120 ILE HB H 2.39 0.0300 1
1232 243 120 ILE HD1 H 0.86 0.0300 1
1233 243 120 ILE HG2 H 0.83 0.0300 1
1234 243 120 ILE C C 176.30 0.4000 1
1235 243 120 ILE CA C 62.59 0.4000 1
1236 243 120 ILE CB C 36.00 0.4000 1
1237 243 120 ILE CD1 C 12.25 0.4000 1
1238 243 120 ILE CG2 C 17.89 0.4000 1
1239 243 120 ILE N N 127.06 0.4000 1
1240 244 121 SER H H 9.85 0.0300 1
1241 244 121 SER HA H 4.69 0.0300 1
1242 244 121 SER HB2 H 3.98 0.0300 2
1243 244 121 SER HB3 H 3.57 0.0300 2
1244 244 121 SER C C 174.83 0.4000 1
1245 244 121 SER CA C 59.11 0.4000 1
1246 244 121 SER CB C 65.52 0.4000 1
1247 244 121 SER N N 127.26 0.4000 1
1248 245 122 ARG H H 7.78 0.0300 1
1249 245 122 ARG HA H 4.41 0.0300 1
1250 245 122 ARG HB2 H 1.88 0.0300 2
1251 245 122 ARG HB3 H 1.66 0.0300 2
1252 245 122 ARG HD2 H 2.88 0.0300 2
1253 245 122 ARG HD3 H 2.69 0.0300 2
1254 245 122 ARG HG2 H 1.60 0.0300 2
1255 245 122 ARG HG3 H 1.42 0.0300 2
1256 245 122 ARG CA C 56.88 0.4000 1
1257 245 122 ARG CB C 34.03 0.4000 1
1258 245 122 ARG CD C 43.48 0.4000 1
1259 245 122 ARG CG C 27.60 0.4000 1
1260 245 122 ARG N N 121.66 0.4000 1
1261 246 123 LYS H H 8.64 0.0300 1
1262 246 123 LYS HA H 5.21 0.0300 1
1263 246 123 LYS HB2 H 1.32 0.0300 2
1264 246 123 LYS HB3 H 1.64 0.0300 2
1265 246 123 LYS HD2 H 1.14 0.0300 2
1266 246 123 LYS HD3 H 0.73 0.0300 2
1267 246 123 LYS HG2 H 0.91 0.0300 2
1268 246 123 LYS HG3 H 1.01 0.0300 2
1269 246 123 LYS CA C 55.76 0.4000 1
1270 246 123 LYS CB C 36.40 0.4000 1
1271 246 123 LYS CD C 29.68 0.4000 1
1272 246 123 LYS CE C 40.65 0.4000 1
1273 246 123 LYS CG C 25.76 0.4000 1
1274 246 123 LYS N N 125.08 0.4000 1
1275 247 124 ARG HA H 4.90 0.0300 1
1276 247 124 ARG HB2 H 2.00 0.0300 2
1277 247 124 ARG HB3 H 1.83 0.0300 2
1278 247 124 ARG HD2 H 3.20 0.0300 1
1279 247 124 ARG HD3 H 3.20 0.0300 1
1280 247 124 ARG HG2 H 1.64 0.0300 2
1281 247 124 ARG HG3 H 1.56 0.0300 2
1282 247 124 ARG C C 173.41 0.4000 1
1283 247 124 ARG CA C 55.53 0.4000 1
1284 247 124 ARG CB C 34.07 0.4000 1
1285 247 124 ARG CD C 43.71 0.4000 1
1286 247 124 ARG CG C 27.24 0.4000 1
1287 248 125 GLU H H 8.98 0.0300 1
1288 248 125 GLU HA H 5.20 0.0300 1
1289 248 125 GLU HB2 H 2.23 0.0300 1
1290 248 125 GLU HB3 H 2.23 0.0300 1
1291 248 125 GLU HG2 H 2.38 0.0300 1
1292 248 125 GLU HG3 H 2.38 0.0300 1
1293 248 125 GLU C C 175.48 0.4000 1
1294 248 125 GLU CA C 55.56 0.4000 1
1295 248 125 GLU CB C 32.56 0.4000 1
1296 248 125 GLU CG C 36.81 0.4000 1
1297 248 125 GLU N N 124.47 0.4000 1
1298 249 126 THR H H 8.86 0.0300 1
1299 249 126 THR HA H 4.83 0.0300 1
1300 249 126 THR HB H 4.73 0.0300 1
1301 249 126 THR HG2 H 1.18 0.0300 1
1302 249 126 THR CA C 59.58 0.4000 1
1303 249 126 THR CB C 71.00 0.4000 1
1304 249 126 THR CG2 C 21.28 0.4000 1
1305 249 126 THR N N 117.54 0.4000 1
1306 250 127 ARG HA H 4.14 0.0300 1
1307 250 127 ARG HB2 H 1.96 0.0300 1
1308 250 127 ARG HB3 H 1.96 0.0300 1
1309 250 127 ARG HD2 H 3.26 0.0300 1
1310 250 127 ARG HD3 H 3.26 0.0300 1
1311 250 127 ARG HG2 H 1.80 0.0300 2
1312 250 127 ARG HG3 H 1.73 0.0300 2
1313 250 127 ARG C C 177.39 0.4000 1
1314 250 127 ARG CA C 58.88 0.4000 1
1315 250 127 ARG CB C 30.19 0.4000 1
1316 250 127 ARG CD C 43.20 0.4000 1
1317 250 127 ARG CG C 27.58 0.4000 1
1318 251 128 THR H H 7.82 0.0300 1
1319 251 128 THR HA H 4.41 0.0300 1
1320 251 128 THR HB H 4.32 0.0300 1
1321 251 128 THR HG2 H 1.22 0.0300 1
1322 251 128 THR C C 174.15 0.4000 1
1323 251 128 THR CA C 61.43 0.4000 1
1324 251 128 THR CB C 70.24 0.4000 1
1325 251 128 THR CG2 C 21.66 0.4000 1
1326 251 128 THR N N 104.73 0.4000 1
1327 252 129 ALA H H 7.70 0.0300 1
1328 252 129 ALA HA H 4.56 0.0300 1
1329 252 129 ALA HB H 1.25 0.0300 1
1330 252 129 ALA C C 175.28 0.4000 1
1331 252 129 ALA CA C 52.25 0.4000 1
1332 252 129 ALA CB C 22.48 0.4000 1
1333 252 129 ALA N N 124.72 0.4000 1
1334 253 130 ARG H H 7.92 0.0300 1
1335 253 130 ARG HA H 4.33 0.0300 1
1336 253 130 ARG HB2 H 1.88 0.0300 2
1337 253 130 ARG HB3 H 1.78 0.0300 2
1338 253 130 ARG HD2 H 3.20 0.0300 1
1339 253 130 ARG HD3 H 3.20 0.0300 1
1340 253 130 ARG HG2 H 1.62 0.0300 1
1341 253 130 ARG HG3 H 1.62 0.0300 1
1342 253 130 ARG C C 174.83 0.4000 1
1343 253 130 ARG CA C 56.30 0.4000 1
1344 253 130 ARG CB C 30.73 0.4000 1
1345 253 130 ARG CD C 43.41 0.4000 1
1346 253 130 ARG CG C 27.01 0.4000 1
1347 253 130 ARG N N 120.86 0.4000 1
1348 254 131 GLU H H 9.16 0.0300 1
1349 254 131 GLU HA H 4.40 0.0300 1
1350 254 131 GLU HB2 H 1.88 0.0300 1
1351 254 131 GLU HB3 H 1.88 0.0300 1
1352 254 131 GLU HG2 H 2.02 0.0300 1
1353 254 131 GLU HG3 H 2.02 0.0300 1
1354 254 131 GLU C C 173.35 0.4000 1
1355 254 131 GLU CA C 55.08 0.4000 1
1356 254 131 GLU CB C 33.19 0.4000 1
1357 254 131 GLU CG C 35.89 0.4000 1
1358 254 131 GLU N N 121.75 0.4000 1
1359 255 132 LEU H H 8.49 0.0300 1
1360 255 132 LEU HA H 5.17 0.0300 1
1361 255 132 LEU HB2 H 1.52 0.0300 1
1362 255 132 LEU HB3 H 1.52 0.0300 1
1363 255 132 LEU HD1 H 0.91 0.0300 2
1364 255 132 LEU HD2 H 1.15 0.0300 2
1365 255 132 LEU C C 173.12 0.4000 1
1366 255 132 LEU CA C 53.20 0.4000 1
1367 255 132 LEU CB C 47.69 0.4000 1
1368 255 132 LEU CD1 C 26.01 0.4000 1
1369 255 132 LEU CD2 C 24.36 0.4000 1
1370 255 132 LEU N N 126.31 0.4000 1
1371 256 133 TYR H H 8.91 0.0300 1
1372 256 133 TYR HA H 5.71 0.0300 1
1373 256 133 TYR HB2 H 2.74 0.0300 2
1374 256 133 TYR HB3 H 2.43 0.0300 2
1375 256 133 TYR HD1 H 6.72 0.0300 1
1376 256 133 TYR HD2 H 6.72 0.0300 1
1377 256 133 TYR HE1 H 6.72 0.0300 1
1378 256 133 TYR HE2 H 6.72 0.0300 1
1379 256 133 TYR C C 175.90 0.4000 1
1380 256 133 TYR CA C 55.14 0.4000 1
1381 256 133 TYR CB C 41.12 0.4000 1
1382 256 133 TYR CD1 C 133.07 0.4000 1
1383 256 133 TYR CE1 C 117.87 0.4000 1
1384 256 133 TYR N N 123.98 0.4000 1
1385 257 134 ALA H H 9.23 0.0300 1
1386 257 134 ALA HA H 5.11 0.0300 1
1387 257 134 ALA HB H 1.01 0.0300 1
1388 257 134 ALA C C 174.47 0.4000 1
1389 257 134 ALA CA C 50.83 0.4000 1
1390 257 134 ALA CB C 24.51 0.4000 1
1391 257 134 ALA N N 123.00 0.4000 1
1392 258 135 ASN H H 9.29 0.0300 1
1393 258 135 ASN HA H 5.70 0.0300 1
1394 258 135 ASN HB2 H 2.92 0.0300 2
1395 258 135 ASN HB3 H 2.80 0.0300 2
1396 258 135 ASN HD21 H 6.77 0.0300 2
1397 258 135 ASN HD22 H 7.60 0.0300 2
1398 258 135 ASN C C 175.08 0.4000 1
1399 258 135 ASN CA C 51.42 0.4000 1
1400 258 135 ASN CB C 37.70 0.4000 1
1401 258 135 ASN N N 120.83 0.4000 1
1402 258 135 ASN ND2 N 112.45 0.4000 1
1403 259 136 VAL H H 8.56 0.0300 1
1404 259 136 VAL HA H 3.94 0.0300 1
1405 259 136 VAL HB H 1.74 0.0300 1
1406 259 136 VAL HG1 H 0.49 0.0300 2
1407 259 136 VAL HG2 H 0.46 0.0300 2
1408 259 136 VAL C C 174.45 0.4000 1
1409 259 136 VAL CA C 63.22 0.4000 1
1410 259 136 VAL CB C 33.92 0.4000 1
1411 259 136 VAL CG1 C 21.44 0.4000 1
1412 259 136 VAL CG2 C 22.37 0.4000 1
1413 259 136 VAL N N 128.53 0.4000 1
1414 260 137 VAL H H 8.90 0.0300 1
1415 260 137 VAL HA H 3.98 0.0300 1
1416 260 137 VAL HB H 2.27 0.0300 1
1417 260 137 VAL HG1 H 0.99 0.0300 2
1418 260 137 VAL HG2 H 1.12 0.0300 2
1419 260 137 VAL C C 174.97 0.4000 1
1420 260 137 VAL CA C 63.88 0.4000 1
1421 260 137 VAL CB C 31.63 0.4000 1
1422 260 137 VAL CG1 C 21.07 0.4000 1
1423 260 137 VAL CG2 C 21.09 0.4000 1
1424 260 137 VAL N N 129.13 0.4000 1
1425 261 138 LEU H H 8.18 0.0300 1
1426 261 138 LEU HA H 4.86 0.0300 1
1427 261 138 LEU HB2 H 1.71 0.0300 2
1428 261 138 LEU HB3 H 1.57 0.0300 2
1429 261 138 LEU HD1 H 0.78 0.0300 2
1430 261 138 LEU HD2 H 0.60 0.0300 2
1431 261 138 LEU HG H 1.49 0.0300 1
1432 261 138 LEU C C 177.07 0.4000 1
1433 261 138 LEU CA C 53.57 0.4000 1
1434 261 138 LEU CB C 42.08 0.4000 1
1435 261 138 LEU CD1 C 26.09 0.4000 1
1436 261 138 LEU CD2 C 24.26 0.4000 1
1437 261 138 LEU CG C 27.45 0.4000 1
1438 261 138 LEU N N 128.36 0.4000 1
1439 262 139 GLY H H 7.93 0.0300 1
1440 262 139 GLY HA2 H 3.91 0.0300 2
1441 262 139 GLY HA3 H 3.59 0.0300 2
1442 262 139 GLY C C 174.37 0.4000 1
1443 262 139 GLY CA C 47.19 0.4000 1
1444 262 139 GLY N N 110.15 0.4000 1
1445 263 140 ASP H H 8.51 0.0300 1
1446 263 140 ASP HA H 4.67 0.0300 1
1447 263 140 ASP HB2 H 2.62 0.0300 1
1448 263 140 ASP HB3 H 2.62 0.0300 1
1449 263 140 ASP C C 174.91 0.4000 1
1450 263 140 ASP CA C 54.45 0.4000 1
1451 263 140 ASP CB C 41.30 0.4000 1
1452 263 140 ASP N N 122.75 0.4000 1
1453 264 141 ASP H H 7.68 0.0300 1
1454 264 141 ASP HA H 4.86 0.0300 1
1455 264 141 ASP HB2 H 2.65 0.0300 2
1456 264 141 ASP HB3 H 2.60 0.0300 2
1457 264 141 ASP C C 174.49 0.4000 1
1458 264 141 ASP CA C 52.86 0.4000 1
1459 264 141 ASP CB C 43.63 0.4000 1
1460 264 141 ASP N N 118.23 0.4000 1
1461 265 142 SER H H 8.61 0.0300 1
1462 265 142 SER HA H 5.18 0.0300 1
1463 265 142 SER HB2 H 3.65 0.0300 2
1464 265 142 SER HB3 H 3.60 0.0300 2
1465 265 142 SER C C 173.15 0.4000 1
1466 265 142 SER CA C 57.36 0.4000 1
1467 265 142 SER CB C 65.53 0.4000 1
1468 265 142 SER N N 113.87 0.4000 1
1469 266 143 LEU H H 9.00 0.0300 1
1470 266 143 LEU HA H 4.59 0.0300 1
1471 266 143 LEU HB2 H 1.52 0.0300 2
1472 266 143 LEU HB3 H 1.35 0.0300 2
1473 266 143 LEU HD1 H 0.97 0.0300 2
1474 266 143 LEU HD2 H 0.91 0.0300 2
1475 266 143 LEU HG H 1.48 0.0300 1
1476 266 143 LEU C C 175.46 0.4000 1
1477 266 143 LEU CA C 53.13 0.4000 1
1478 266 143 LEU CB C 43.59 0.4000 1
1479 266 143 LEU CD1 C 25.46 0.4000 1
1480 266 143 LEU CD2 C 23.48 0.4000 1
1481 266 143 LEU CG C 26.73 0.4000 1
1482 266 143 LEU N N 125.03 0.4000 1
1483 267 144 ASN H H 8.57 0.0300 1
1484 267 144 ASN HA H 4.92 0.0300 1
1485 267 144 ASN HB2 H 2.58 0.0300 1
1486 267 144 ASN HB3 H 2.58 0.0300 1
1487 267 144 ASN HD21 H 6.74 0.0300 2
1488 267 144 ASN HD22 H 7.36 0.0300 2
1489 267 144 ASN C C 175.59 0.4000 1
1490 267 144 ASN CA C 53.25 0.4000 1
1491 267 144 ASN CB C 39.43 0.4000 1
1492 267 144 ASN N N 122.56 0.4000 1
1493 267 144 ASN ND2 N 111.37 0.4000 1
1494 268 145 ASP H H 9.01 0.0300 1
1495 268 145 ASP HA H 3.97 0.0300 1
1496 268 145 ASP HB2 H 2.86 0.0300 2
1497 268 145 ASP HB3 H 2.44 0.0300 2
1498 268 145 ASP C C 174.74 0.4000 1
1499 268 145 ASP CA C 55.78 0.4000 1
1500 268 145 ASP CB C 39.95 0.4000 1
1501 268 145 ASP N N 119.34 0.4000 1
1502 269 146 CYS H H 8.83 0.0300 1
1503 269 146 CYS HA H 4.19 0.0300 1
1504 269 146 CYS HB2 H 2.42 0.0300 1
1505 269 146 CYS HB3 H 2.42 0.0300 1
1506 269 146 CYS C C 174.88 0.4000 1
1507 269 146 CYS CA C 60.10 0.4000 1
1508 269 146 CYS CB C 28.12 0.4000 1
1509 269 146 CYS N N 118.15 0.4000 1
1510 270 147 ARG H H 8.66 0.0300 1
1511 270 147 ARG HA H 3.97 0.0300 1
1512 270 147 ARG HD2 H 2.79 0.0300 1
1513 270 147 ARG HD3 H 2.79 0.0300 1
1514 270 147 ARG HG2 H 0.93 0.0300 1
1515 270 147 ARG HG3 H 0.93 0.0300 1
1516 270 147 ARG C C 174.34 0.4000 1
1517 270 147 ARG CA C 55.27 0.4000 1
1518 270 147 ARG CD C 42.33 0.4000 1
1519 270 147 ARG CG C 27.58 0.4000 1
1520 270 147 ARG N N 125.61 0.4000 1
1521 271 148 ILE H H 8.59 0.0300 1
1522 271 148 ILE HA H 4.55 0.0300 1
1523 271 148 ILE HB H 1.92 0.0300 1
1524 271 148 ILE HD1 H 0.34 0.0300 1
1525 271 148 ILE HG12 H 1.58 0.0300 1
1526 271 148 ILE HG13 H 1.58 0.0300 1
1527 271 148 ILE HG2 H 0.91 0.0300 1
1528 271 148 ILE C C 176.00 0.4000 1
1529 271 148 ILE CA C 56.98 0.4000 1
1530 271 148 ILE CB C 36.18 0.4000 1
1531 271 148 ILE CD1 C 9.09 0.4000 1
1532 271 148 ILE CG1 C 25.26 0.4000 1
1533 271 148 ILE CG2 C 16.45 0.4000 1
1534 271 148 ILE N N 129.30 0.4000 1
1535 272 149 ILE H H 9.33 0.0300 1
1536 272 149 ILE HA H 3.89 0.0300 1
1537 272 149 ILE HB H 1.23 0.0300 1
1538 272 149 ILE HD1 H 0.51 0.0300 1
1539 272 149 ILE HG12 H 0.89 0.0300 1
1540 272 149 ILE HG13 H 0.89 0.0300 1
1541 272 149 ILE HG2 H 0.20 0.0300 1
1542 272 149 ILE C C 178.84 0.4000 1
1543 272 149 ILE CA C 61.07 0.4000 1
1544 272 149 ILE CB C 37.13 0.4000 1
1545 272 149 ILE CD1 C 10.69 0.4000 1
1546 272 149 ILE CG1 C 26.69 0.4000 1
1547 272 149 ILE CG2 C 17.14 0.4000 1
1548 272 149 ILE N N 125.73 0.4000 1
1549 273 150 PHE H H 6.41 0.0300 1
1550 273 150 PHE HA H 4.92 0.0300 1
1551 273 150 PHE HB2 H 2.83 0.0300 1
1552 273 150 PHE HB3 H 2.83 0.0300 1
1553 273 150 PHE HD1 H 7.28 0.0300 1
1554 273 150 PHE HD2 H 7.28 0.0300 1
1555 273 150 PHE HE1 H 7.11 0.0300 1
1556 273 150 PHE HE2 H 7.11 0.0300 1
1557 273 150 PHE HZ H 7.03 0.0300 1
1558 273 150 PHE C C 178.22 0.4000 1
1559 273 150 PHE CA C 57.87 0.4000 1
1560 273 150 PHE CB C 37.11 0.4000 1
1561 273 150 PHE CD1 C 129.74 0.4000 1
1562 273 150 PHE CE1 C 131.62 0.4000 1
1563 273 150 PHE CZ C 128.83 0.4000 1
1564 273 150 PHE N N 122.21 0.4000 1
1565 274 151 VAL H H 7.52 0.0300 1
1566 274 151 VAL HA H 3.77 0.0300 1
1567 274 151 VAL HB H 2.49 0.0300 1
1568 274 151 VAL HG1 H 0.92 0.0300 2
1569 274 151 VAL HG2 H 0.62 0.0300 2
1570 274 151 VAL C C 174.57 0.4000 1
1571 274 151 VAL CA C 64.14 0.4000 1
1572 274 151 VAL CB C 31.29 0.4000 1
1573 274 151 VAL CG1 C 23.57 0.4000 1
1574 274 151 VAL CG2 C 18.26 0.4000 1
1575 274 151 VAL N N 115.29 0.4000 1
1576 275 152 ASP H H 8.48 0.0300 1
1577 275 152 ASP HA H 5.29 0.0300 1
1578 275 152 ASP HB2 H 3.10 0.0300 2
1579 275 152 ASP HB3 H 2.69 0.0300 2
1580 275 152 ASP C C 175.95 0.4000 1
1581 275 152 ASP CA C 54.57 0.4000 1
1582 275 152 ASP CB C 41.50 0.4000 1
1583 275 152 ASP N N 116.04 0.4000 1
1584 276 153 GLU H H 7.22 0.0300 1
1585 276 153 GLU HA H 4.44 0.0300 1
1586 276 153 GLU HB2 H 2.04 0.0300 1
1587 276 153 GLU HB3 H 2.04 0.0300 1
1588 276 153 GLU HG2 H 2.20 0.0300 1
1589 276 153 GLU HG3 H 2.20 0.0300 1
1590 276 153 GLU C C 173.93 0.4000 1
1591 276 153 GLU CA C 54.14 0.4000 1
1592 276 153 GLU CB C 31.75 0.4000 1
1593 276 153 GLU CG C 35.79 0.4000 1
1594 276 153 GLU N N 120.62 0.4000 1
1595 277 154 VAL H H 8.83 0.0300 1
1596 277 154 VAL HA H 4.46 0.0300 1
1597 277 154 VAL HB H 2.33 0.0300 1
1598 277 154 VAL HG1 H 0.99 0.0300 2
1599 277 154 VAL HG2 H 0.97 0.0300 2
1600 277 154 VAL C C 174.58 0.4000 1
1601 277 154 VAL CA C 63.42 0.4000 1
1602 277 154 VAL CB C 31.15 0.4000 1
1603 277 154 VAL CG1 C 20.95 0.4000 1
1604 277 154 VAL CG2 C 23.82 0.4000 1
1605 277 154 VAL N N 124.69 0.4000 1
1606 278 155 PHE H H 9.42 0.0300 1
1607 278 155 PHE HA H 4.49 0.0300 1
1608 278 155 PHE HB2 H 2.95 0.0300 2
1609 278 155 PHE HB3 H 2.81 0.0300 2
1610 278 155 PHE HD1 H 6.69 0.0300 1
1611 278 155 PHE HD2 H 6.69 0.0300 1
1612 278 155 PHE HE1 H 6.90 0.0300 1
1613 278 155 PHE HE2 H 6.90 0.0300 1
1614 278 155 PHE C C 175.68 0.4000 1
1615 278 155 PHE CA C 57.82 0.4000 1
1616 278 155 PHE CB C 38.75 0.4000 1
1617 278 155 PHE CD1 C 130.48 0.4000 1
1618 278 155 PHE CE1 C 128.84 0.4000 1
1619 278 155 PHE N N 124.53 0.4000 1
1620 279 156 LYS H H 8.54 0.0300 1
1621 279 156 LYS HA H 4.48 0.0300 1
1622 279 156 LYS HB2 H 1.84 0.0300 1
1623 279 156 LYS HB3 H 1.84 0.0300 1
1624 279 156 LYS HD2 H 1.69 0.0300 2
1625 279 156 LYS HD3 H 1.59 0.0300 2
1626 279 156 LYS HE2 H 2.97 0.0300 1
1627 279 156 LYS HE3 H 2.97 0.0300 1
1628 279 156 LYS HG2 H 1.22 0.0300 1
1629 279 156 LYS HG3 H 1.22 0.0300 1
1630 279 156 LYS C C 177.22 0.4000 1
1631 279 156 LYS CA C 55.58 0.4000 1
1632 279 156 LYS CB C 33.97 0.4000 1
1633 279 156 LYS CD C 29.97 0.4000 1
1634 279 156 LYS CE C 42.38 0.4000 1
1635 279 156 LYS CG C 24.82 0.4000 1
1636 279 156 LYS N N 120.19 0.4000 1
1637 280 157 ILE H H 8.88 0.0300 1
1638 280 157 ILE HA H 3.84 0.0300 1
1639 280 157 ILE HB H 1.57 0.0300 1
1640 280 157 ILE HD1 H 0.68 0.0300 1
1641 280 157 ILE HG12 H 0.73 0.0300 1
1642 280 157 ILE HG13 H 0.73 0.0300 1
1643 280 157 ILE HG2 H 0.59 0.0300 1
1644 280 157 ILE C C 176.41 0.4000 1
1645 280 157 ILE CA C 61.64 0.4000 1
1646 280 157 ILE CB C 38.61 0.4000 1
1647 280 157 ILE CD1 C 13.51 0.4000 1
1648 280 157 ILE CG1 C 29.68 0.4000 1
1649 280 157 ILE CG2 C 16.84 0.4000 1
1650 280 157 ILE N N 128.19 0.4000 1
1651 281 158 GLU H H 8.72 0.0300 1
1652 281 158 GLU HA H 4.15 0.0300 1
1653 281 158 GLU HB2 H 1.95 0.0300 2
1654 281 158 GLU HB3 H 1.74 0.0300 2
1655 281 158 GLU HG2 H 2.27 0.0300 2
1656 281 158 GLU HG3 H 2.14 0.0300 2
1657 281 158 GLU C C 175.52 0.4000 1
1658 281 158 GLU CA C 55.68 0.4000 1
1659 281 158 GLU CB C 30.06 0.4000 1
1660 281 158 GLU CG C 35.52 0.4000 1
1661 281 158 GLU N N 129.29 0.4000 1
1662 282 159 ARG H H 8.37 0.0300 1
1663 282 159 ARG HA H 4.73 0.0300 1
1664 282 159 ARG HB2 H 1.83 0.0300 2
1665 282 159 ARG HB3 H 1.65 0.0300 2
1666 282 159 ARG HD2 H 3.21 0.0300 1
1667 282 159 ARG HD3 H 3.21 0.0300 1
1668 282 159 ARG HG2 H 1.62 0.0300 1
1669 282 159 ARG HG3 H 1.62 0.0300 1
1670 282 159 ARG CA C 53.36 0.4000 1
1671 282 159 ARG CB C 30.91 0.4000 1
1672 282 159 ARG CD C 43.38 0.4000 1
1673 282 159 ARG CG C 27.11 0.4000 1
1674 282 159 ARG N N 123.49 0.4000 1
1675 283 160 PRO HA H 4.45 0.0300 1
1676 283 160 PRO HB2 H 2.33 0.0300 2
1677 283 160 PRO HB3 H 1.95 0.0300 2
1678 283 160 PRO HD2 H 3.71 0.0300 2
1679 283 160 PRO HD3 H 3.82 0.0300 2
1680 283 160 PRO HG2 H 2.10 0.0300 2
1681 283 160 PRO HG3 H 2.14 0.0300 2
1682 283 160 PRO C C 177.53 0.4000 1
1683 283 160 PRO CA C 63.52 0.4000 1
1684 283 160 PRO CB C 32.12 0.4000 1
1685 283 160 PRO CD C 50.70 0.4000 1
1686 283 160 PRO CG C 27.64 0.4000 1
1687 284 161 GLY H H 8.62 0.0300 1
1688 284 161 GLY HA2 H 4.02 0.0300 2
1689 284 161 GLY HA3 H 3.88 0.0300 2
1690 284 161 GLY C C 173.28 0.4000 1
1691 284 161 GLY CA C 45.48 0.4000 1
1692 284 161 GLY N N 110.51 0.4000 1
1693 285 162 GLU H H 7.75 0.0300 1
1694 285 162 GLU HA H 4.20 0.0300 1
1695 285 162 GLU HB2 H 2.10 0.0300 1
1696 285 162 GLU HB3 H 2.10 0.0300 1
1697 285 162 GLU HG2 H 2.19 0.0300 1
1698 285 162 GLU HG3 H 2.19 0.0300 1
1699 285 162 GLU CA C 57.79 0.4000 1
1700 285 162 GLU CB C 31.28 0.4000 1
1701 285 162 GLU CG C 36.94 0.4000 1
1702 285 162 GLU N N 125.32 0.4000 1
stop_
save_
save_assigned_chem_shift_list_1_2
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$ABACUS
$CYANA
stop_
loop_
_Experiment_label
'3D CBCA(CO)NH'
'3D HNCO'
'3D HNCA'
'3D HBHA(CO)NH'
'3D HCCH-TOCSY'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY'
Aro-NOESY
'3D-Edited-15N/13C NOESY'
'IPAP-15N-1H HSQC'
J-evolution-13CO-13CA
J-evolution-15N-13CO
stop_
loop_
_Sample_label
$sample_1
$sample_2
$sample_3
$sample_4
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'Histone H3'
_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 2 2 ARG HA H 4.25 0.0300 1
2 2 2 ARG HB2 H 1.72 0.0300 2
3 2 2 ARG HB3 H 1.77 0.0300 2
4 2 2 ARG HD2 H 3.15 0.0300 1
5 2 2 ARG HD3 H 3.15 0.0300 1
6 2 2 ARG HG2 H 1.57 0.0300 1
7 2 2 ARG HG3 H 1.57 0.0300 1
8 3 3 THR H H 7.76 0.0300 1
9 3 3 THR HA H 4.20 0.0300 1
10 3 3 THR HB H 4.10 0.0300 1
11 3 3 THR HG2 H 1.10 0.0300 1
12 4 4 LYS HA H 4.34 0.0300 1
13 4 4 LYS HB2 H 1.84 0.0300 1
14 4 4 LYS HB3 H 1.84 0.0300 1
15 4 4 LYS HD2 H 1.76 0.0300 1
16 4 4 LYS HD3 H 1.76 0.0300 1
17 4 4 LYS HE2 H 3.25 0.0300 1
18 4 4 LYS HE3 H 3.25 0.0300 1
19 4 4 LYS HG2 H 1.38 0.0300 1
20 4 4 LYS HG3 H 1.38 0.0300 1
21 5 5 GLN HA H 4.31 0.0300 1
22 5 5 GLN HB2 H 1.93 0.0300 2
23 5 5 GLN HB3 H 2.05 0.0300 2
24 5 5 GLN HE21 H 7.50 0.0300 2
25 5 5 GLN HE22 H 6.80 0.0300 2
26 5 5 GLN HG2 H 2.33 0.0300 1
27 5 5 GLN HG3 H 2.33 0.0300 1
28 6 6 THR H H 7.37 0.0300 1
29 6 6 THR HA H 4.26 0.0300 1
30 6 6 THR HB H 4.14 0.0300 1
31 6 6 THR HG2 H 1.15 0.0300 1
32 7 7 ALA HA H 3.59 0.0300 1
33 7 7 ALA HB H 1.12 0.0300 1
34 8 8 ARG HA H 4.34 0.0300 1
35 8 8 ARG HB2 H 1.77 0.0300 1
36 8 8 ARG HB3 H 1.77 0.0300 1
37 8 8 ARG HD2 H 3.23 0.0300 2
38 8 8 ARG HD3 H 3.17 0.0300 2
39 8 8 ARG HG2 H 1.66 0.0300 1
40 8 8 ARG HG3 H 1.66 0.0300 1
41 9 9 M3L HA H 4.27 0.0300 1
42 9 9 M3L HB2 H 1.75 0.0300 1
43 9 9 M3L HB3 H 1.75 0.0300 1
44 9 9 M3L HD2 H 1.62 0.0300 1
45 9 9 M3L HD3 H 1.62 0.0300 1
46 9 9 M3L HE2 H 2.94 0.0300 1
47 9 9 M3L HE3 H 2.94 0.0300 1
48 9 9 M3L HG2 H 1.35 0.0300 1
49 9 9 M3L HG3 H 1.35 0.0300 1
50 10 10 SER HA H 4.48 0.0300 1
51 10 10 SER HB2 H 3.85 0.0300 1
52 10 10 SER HB3 H 3.85 0.0300 1
stop_
save_