data_17392
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
NMR Solution structures of CBP bromodomain with small molucule J28
;
_BMRB_accession_number 17392
_BMRB_flat_file_name bmr17392.str
_Entry_type original
_Submission_date 2011-01-03
_Accession_date 2011-01-03
_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 Borah Jagat C. .
2 Mujtaba Shiraz . .
3 Karakikes Ioannis . .
4 Zeng Lei . .
5 Muller Michaela . .
6 Patel Jigneshkumar . .
7 Moshkina Natasha . .
8 Morohashi Keita . .
9 Zhang Weijia . .
10 Gerona-Navarro Guillermo . .
11 Hajjar Roger J. .
12 Zhou Ming-Ming . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 721
"13C chemical shifts" 442
"15N chemical shifts" 122
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-10-31 update BMRB 'change the outlier of 31 GLU HB3 1467.000 to 1.467'
2011-05-13 update BMRB 'update entry citation'
2011-02-09 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 21513889
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Borah Jagat C. .
2 Mujtaba Shiraz . .
3 Karakikes Ioannis . .
4 Zeng Lei . .
5 Muller Michaela . .
6 Patel Jigneshkumar . .
7 Moshkina Natasha . .
8 Morohashi Keita . .
9 Zhang Weijia . .
10 Gerona-Navarro Guillermo . .
11 Hajjar Roger J. .
12 Zhou Ming-Ming . .
stop_
_Journal_abbreviation 'Chem. Biol.'
_Journal_name_full 'Chemistry & biology'
_Journal_volume 18
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 531
_Page_last 541
_Year 2011
_Details .
loop_
_Keyword
CBP
CREB
apoptosis
p53
ligand
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'complex of CBP bromodomain with small molucule J28'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'CBP bromodomain' $entity_1
J28 $J28
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 entity_1
_Molecular_mass 14418.670
_Mol_thiol_state 'not available'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 121
_Mol_residue_sequence
;
GSHMRKKIFKPEELRQALMP
TLEALYRQDPESLPFRQPVD
PQLLGIPDYFDIVKNPMDLS
TIKRKLDTGQYQEPWQYVDD
VWLMFNNAWLYNRKTSRVYK
FCSKLAEVFEQEIDPVMQSL
G
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 1077 GLY 2 1078 SER 3 1079 HIS 4 1080 MET 5 1081 ARG
6 1082 LYS 7 1083 LYS 8 1084 ILE 9 1085 PHE 10 1086 LYS
11 1087 PRO 12 1088 GLU 13 1089 GLU 14 1090 LEU 15 1091 ARG
16 1092 GLN 17 1093 ALA 18 1094 LEU 19 1095 MET 20 1096 PRO
21 1097 THR 22 1098 LEU 23 1099 GLU 24 1100 ALA 25 1101 LEU
26 1102 TYR 27 1103 ARG 28 1104 GLN 29 1105 ASP 30 1106 PRO
31 1107 GLU 32 1108 SER 33 1109 LEU 34 1110 PRO 35 1111 PHE
36 1112 ARG 37 1113 GLN 38 1114 PRO 39 1115 VAL 40 1116 ASP
41 1117 PRO 42 1118 GLN 43 1119 LEU 44 1120 LEU 45 1121 GLY
46 1122 ILE 47 1123 PRO 48 1124 ASP 49 1125 TYR 50 1126 PHE
51 1127 ASP 52 1128 ILE 53 1129 VAL 54 1130 LYS 55 1131 ASN
56 1132 PRO 57 1133 MET 58 1134 ASP 59 1135 LEU 60 1136 SER
61 1137 THR 62 1138 ILE 63 1139 LYS 64 1140 ARG 65 1141 LYS
66 1142 LEU 67 1143 ASP 68 1144 THR 69 1145 GLY 70 1146 GLN
71 1147 TYR 72 1148 GLN 73 1149 GLU 74 1150 PRO 75 1151 TRP
76 1152 GLN 77 1153 TYR 78 1154 VAL 79 1155 ASP 80 1156 ASP
81 1157 VAL 82 1158 TRP 83 1159 LEU 84 1160 MET 85 1161 PHE
86 1162 ASN 87 1163 ASN 88 1164 ALA 89 1165 TRP 90 1166 LEU
91 1167 TYR 92 1168 ASN 93 1169 ARG 94 1170 LYS 95 1171 THR
96 1172 SER 97 1173 ARG 98 1174 VAL 99 1175 TYR 100 1176 LYS
101 1177 PHE 102 1178 CYS 103 1179 SER 104 1180 LYS 105 1181 LEU
106 1182 ALA 107 1183 GLU 108 1184 VAL 109 1185 PHE 110 1186 GLU
111 1187 GLN 112 1188 GLU 113 1189 ILE 114 1190 ASP 115 1191 PRO
116 1192 VAL 117 1193 MET 118 1194 GLN 119 1195 SER 120 1196 LEU
121 1197 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-07-08
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 17393 entity_1 100.00 121 100.00 100.00 2.52e-83
PDB 1JSP "Nmr Structure Of Cbp Bromodomain In Complex With P53 Peptide" 100.00 121 100.00 100.00 2.52e-83
PDB 2D82 "Target Structure-Based Discovery Of Small Molecules That Block Human P53 And Creb Binding Protein (Cbp) Association" 100.00 121 100.00 100.00 2.52e-83
PDB 2L84 "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule J28" 100.00 121 100.00 100.00 2.52e-83
PDB 2L85 "Solution Nmr Structures Of Cbp Bromodomain With Small Molecule Of Hbs" 100.00 121 100.00 100.00 2.52e-83
PDB 2RNY "Complex Structures Of Cbp Bromodomain With H4 Ack20 Peptide" 100.00 121 100.00 100.00 2.52e-83
PDB 3DWY "Crystal Structure Of The Bromodomain Of Human Crebbp" 98.35 119 99.16 99.16 2.53e-80
PDB 3P1C "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Acetylated Lysine" 98.35 119 99.16 99.16 2.53e-80
PDB 3P1D "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With N-Methyl-2-Pyrrolidone (Nmp)" 98.35 119 99.16 99.16 2.53e-80
PDB 3P1E "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Dimethyl Sulfoxide (Dmso)" 98.35 119 99.16 99.16 2.53e-80
PDB 3P1F "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Hydroquinazolin Ligand" 98.35 119 99.16 99.16 2.53e-80
PDB 3SVH "Crystal Structure Of The Bromdomain Of Human Crebbp In Complex With A 3,5-Dimethylisoxazol Ligand" 98.35 119 99.16 99.16 2.53e-80
PDB 4A9K "Bromodomain Of Human Crebbp With N-(4-Hydroxyphenyl) Acetamide" 98.35 119 99.16 99.16 2.53e-80
PDB 4N3W "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Acetylated His" 96.69 237 100.00 100.00 3.00e-78
PDB 4N4F "Crystal Structure Of The Bromodomain-phd Finger Module Of Human Transcriptional Co-activator Cbp In Complex With Di-acetylated " 96.69 237 100.00 100.00 3.00e-78
PDB 4NR4 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.53e-80
PDB 4NR5 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.53e-80
PDB 4NR6 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Oxazepin Ligand" 98.35 119 99.16 99.16 2.53e-80
PDB 4NR7 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With An Isoxazolyl-benzimidazole Ligand" 98.35 119 99.16 99.16 2.53e-80
PDB 4NYV "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Quinazolin-one Ligand" 98.35 119 99.16 99.16 2.53e-80
PDB 4NYW "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" 98.35 119 99.16 99.16 2.53e-80
PDB 4NYX "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With A Dihydroquinoxalinone Ligand" 98.35 119 99.16 99.16 2.53e-80
PDB 4OUF "Crystal Structure Of Cbp Bromodomain" 95.87 116 100.00 100.00 1.32e-78
PDB 4TQN "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Ul04" 98.35 119 99.16 99.16 2.53e-80
PDB 4TS8 "Crystal Structure Of The Bromodomain Of Human Crebbp In Complex With Xz08" 98.35 119 99.16 99.16 2.53e-80
DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 99.17 2472 98.33 98.33 9.13e-75
DBJ BAG65526 "unnamed protein product [Homo sapiens]" 99.17 1198 98.33 98.33 1.39e-74
DBJ BAI45616 "CREB binding protein [synthetic construct]" 99.17 2442 98.33 98.33 9.66e-75
GB AAB28651 "CREB-binding protein [Mus sp.]" 99.17 2441 97.50 97.50 4.13e-73
GB AAC51331 "CREB-binding protein [Homo sapiens]" 99.17 2442 98.33 98.33 9.66e-75
GB AAC51770 "CREB-binding protein [Homo sapiens]" 99.17 2442 98.33 98.33 1.00e-74
GB AAH72594 "Crebbp protein, partial [Mus musculus]" 99.17 1589 98.33 98.33 9.10e-75
GB AAI72737 "CREB binding protein [synthetic construct]" 99.17 2441 98.33 98.33 1.21e-74
PRF 1923401A "protein CBP" 99.17 2441 97.50 97.50 4.13e-73
REF NP_001020603 "CREB-binding protein [Mus musculus]" 99.17 2441 98.33 98.33 1.21e-74
REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 99.17 2404 98.33 98.33 9.42e-75
REF NP_001157494 "CREB-binding protein [Bos taurus]" 99.17 2435 97.50 97.50 1.41e-73
REF NP_001247644 "CREB-binding protein [Macaca mulatta]" 99.17 2442 98.33 98.33 1.02e-74
REF NP_004371 "CREB-binding protein isoform a [Homo sapiens]" 99.17 2442 98.33 98.33 9.66e-75
SP P45481 "RecName: Full=CREB-binding protein" 99.17 2441 98.33 98.33 9.65e-75
SP Q6JHU9 "RecName: Full=CREB-binding protein" 99.17 2442 98.33 98.33 9.75e-75
SP Q92793 "RecName: Full=CREB-binding protein" 99.17 2442 98.33 98.33 9.66e-75
TPG DAA15549 "TPA: CREB binding protein [Bos taurus]" 99.17 2435 97.50 97.50 1.41e-73
stop_
save_
#############
# Ligands #
#############
save_J28
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "J28 (5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid)"
_BMRB_code .
_PDB_code J28
_Molecular_mass 335.378
_Mol_charge 0
_Mol_paramagnetic .
_Mol_aromatic yes
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Fri Dec 9 12:22:21 2011
;
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
S S S . 0 . ?
NA NA N . 0 . ?
NB NB N . 0 . ?
CG CG C . 0 . ?
CH CH C . 0 . ?
OH OH O . 0 . ?
CK CK C . 0 . ?
NL NL N . 0 . ?
CM CM C . 0 . ?
CN CN C . 0 . ?
CP CP C . 0 . ?
OT OT O . 0 . ?
CZ CZ C . 0 . ?
OC1 OC1 O . 0 . ?
OC2 OC2 O . 0 . ?
CD1 CD1 C . 0 . ?
CD2 CD2 C . 0 . ?
CE1 CE1 C . 0 . ?
CE2 CE2 C . 0 . ?
CI1 CI1 C . 0 . ?
CI2 CI2 C . 0 . ?
CJ1 CJ1 C . 0 . ?
CJ2 CJ2 C . 0 . ?
HOH HOH H . 0 . ?
HOT HOT H . 0 . ?
HD2 HD2 H . 0 . ?
HE1 HE1 H . 0 . ?
HI1 HI1 H . 0 . ?
HJ2 HJ2 H . 0 . ?
HNL HNL H . 0 . ?
HNLA HNLA H . 0 . ?
HM HM H . 0 . ?
HMA HMA H . 0 . ?
HMB HMB H . 0 . ?
HN HN H . 0 . ?
HNA HNA H . 0 . ?
HNB HNB H . 0 . ?
HP HP H . 0 . ?
HPA HPA H . 0 . ?
HPB HPB 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 S OT ? ?
DOUB S OC1 ? ?
DOUB S OC2 ? ?
SING S CJ1 ? ?
DOUB NA NB ? ?
SING NA CH ? ?
SING NB CG ? ?
DOUB CG CD1 ? ?
SING CG CD2 ? ?
DOUB CH CI1 ? ?
SING CH CI2 ? ?
SING OH CZ ? ?
SING OH HOH ? ?
SING CK CN ? ?
DOUB CK CJ1 ? ?
SING CK CJ2 ? ?
SING NL CD1 ? ?
SING NL HNL ? ?
SING NL HNLA ? ?
SING CM CE2 ? ?
SING CM HM ? ?
SING CM HMA ? ?
SING CM HMB ? ?
SING CN HN ? ?
SING CN HNA ? ?
SING CN HNB ? ?
SING CP CI2 ? ?
SING CP HP ? ?
SING CP HPA ? ?
SING CP HPB ? ?
SING OT HOT ? ?
DOUB CZ CE1 ? ?
SING CZ CE2 ? ?
SING CD1 CE1 ? ?
DOUB CD2 CE2 ? ?
SING CD2 HD2 ? ?
SING CE1 HE1 ? ?
SING CI1 CJ1 ? ?
SING CI1 HI1 ? ?
DOUB CI2 CJ2 ? ?
SING CJ2 HJ2 ? ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
$entity_1 Human 9606 Eukaryota Metazoa Homo sapiens BL21
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' . . . . PET15B
$J28 '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 0.5 mM '[U-99% 13C; U-99% 15N]'
$J28 3.0 mM 'natural abundance'
'sodium phosphate' 100 mM 'natural abundance'
DTT 3 mM '[U-100% 2H]'
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 0.5 mM '[U-100% 13C; U-100% 15N]'
$J28 3.0 mM 'natural abundance'
'sodium phosphate' 100 mM 'natural abundance'
DTT 3 mM '[U-100% 2H]'
D2O 100 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_ARIA
_Saveframe_category software
_Name ARIA
_Version 2.2
loop_
_Vendor
_Address
_Electronic_address
'Linge, O'Donoghue and Nilges' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2.3
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
'chemical shift calculation'
stop_
_Details .
save_
save_NMRView
_Saveframe_category software
_Name NMRView
_Version 5.04
loop_
_Vendor
_Address
_Electronic_address
'Johnson, One Moon Scientific' . .
stop_
loop_
_Task
'peak picking'
'data analysis'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version 1.2
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
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 900
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
save_spectrometer_3
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_4
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_HNCACB_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HN(CO)CACB_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CACB'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_aliphatic_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aliphatic'
_Sample_label $sample_2
save_
save_3D_1H-13C_NOESY_aromatic_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY aromatic'
_Sample_label $sample_2
save_
save_3D_13C-Edited-13C/15N-filtered_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-Edited-13C/15N-filtered NOESY'
_Sample_label $sample_2
save_
save_NMR_spectrometer_expt
_Saveframe_category NMR_applied_experiment
_Experiment_name .
_BMRB_pulse_sequence_accession_number .
_Details .
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 6.5 . pH
pressure 1 . atm
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
. H 1 . ppm . . . . . .
. C 13 . ppm . . . . . .
. N 15 . ppm . . . . . .
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
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'3D HNCACB'
'3D HN(CO)CACB'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY aliphatic'
'3D 1H-13C NOESY aromatic'
'3D 13C-Edited-13C/15N-filtered NOESY'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'CBP bromodomain'
_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 1078 2 SER HA H 4.401 . 1
2 1078 2 SER HB2 H 3.751 . 2
3 1078 2 SER CA C 58.195 . 1
4 1078 2 SER CB C 63.674 . 1
5 1079 3 HIS HA H 4.602 . 1
6 1079 3 HIS HB2 H 3.104 . 2
7 1079 3 HIS HB3 H 3.018 . 2
8 1079 3 HIS HD2 H 7.000 . 3
9 1079 3 HIS HE1 H 8.050 . 3
10 1079 3 HIS CA C 55.919 . 1
11 1079 3 HIS CB C 30.360 . 1
12 1079 3 HIS CD2 C 117.260 . 1
13 1079 3 HIS CE1 C 134.925 . 1
14 1080 4 MET H H 8.376 . 1
15 1080 4 MET HA H 4.394 . 1
16 1080 4 MET HB2 H 1.997 . 2
17 1080 4 MET HB3 H 1.938 . 2
18 1080 4 MET HG2 H 2.487 . 2
19 1080 4 MET HG3 H 2.420 . 2
20 1080 4 MET CA C 55.388 . 1
21 1080 4 MET CB C 32.827 . 1
22 1080 4 MET CG C 31.956 . 1
23 1080 4 MET N N 120.534 . 1
24 1081 5 ARG H H 8.460 . .
25 1081 5 ARG HA H 4.319 . 1
26 1081 5 ARG HB2 H 1.804 . 1
27 1081 5 ARG HB3 H 1.738 . 2
28 1081 5 ARG HG2 H 1.590 . 1
29 1081 5 ARG HD2 H 3.140 . 1
30 1081 5 ARG CA C 55.775 . .
31 1081 5 ARG CB C 30.903 . 1
32 1081 5 ARG CG C 27.132 . 1
33 1081 5 ARG CD C 43.337 . .
34 1081 5 ARG N N 122.795 . .
35 1082 6 LYS H H 8.408 . .
36 1082 6 LYS HA H 4.255 . 1
37 1082 6 LYS HB2 H 1.739 . 1
38 1082 6 LYS HG2 H 1.392 . 1
39 1082 6 LYS HG3 H 1.294 . 2
40 1082 6 LYS HD2 H 1.644 . 2
41 1082 6 LYS HE2 H 2.932 . 2
42 1082 6 LYS HZ H 7.550 . 1
43 1082 6 LYS CA C 56.278 . 1
44 1082 6 LYS CB C 33.117 . 1
45 1082 6 LYS CG C 25.000 . 1
46 1082 6 LYS CD C 29.024 . 1
47 1082 6 LYS CE C 41.571 . 1
48 1082 6 LYS N N 123.329 . .
49 1083 7 LYS H H 8.286 . 1
50 1083 7 LYS HA H 4.223 . 1
51 1083 7 LYS HB2 H 1.596 . 1
52 1083 7 LYS HG2 H 1.082 . 1
53 1083 7 LYS HG3 H 0.957 . 2
54 1083 7 LYS HD2 H 1.493 . 2
55 1083 7 LYS HE2 H 2.664 . 2
56 1083 7 LYS CA C 56.110 . 1
57 1083 7 LYS CB C 33.507 . 1
58 1083 7 LYS CG C 24.783 . 1
59 1083 7 LYS CD C 29.025 . 1
60 1083 7 LYS CE C 41.817 . 1
61 1083 7 LYS N N 123.227 . .
62 1084 8 ILE H H 8.005 . 1
63 1084 8 ILE HA H 4.253 . 1
64 1084 8 ILE HB H 1.740 . .
65 1084 8 ILE HG12 H 1.419 . 1
66 1084 8 ILE HG13 H 1.133 . 1
67 1084 8 ILE HG2 H 0.848 . 1
68 1084 8 ILE HD1 H 0.821 . 1
69 1084 8 ILE CA C 59.787 . 1
70 1084 8 ILE CB C 39.023 . .
71 1084 8 ILE CG1 C 27.039 . .
72 1084 8 ILE CG2 C 17.507 . 1
73 1084 8 ILE CD1 C 12.470 . 1
74 1084 8 ILE N N 123.000 . 1
75 1085 9 PHE H H 8.917 . 1
76 1085 9 PHE HA H 4.617 . 1
77 1085 9 PHE HB2 H 2.879 . 1
78 1085 9 PHE HD1 H 7.304 . 1
79 1085 9 PHE HE1 H 7.376 . 1
80 1085 9 PHE HZ H 7.356 . 1
81 1085 9 PHE CA C 57.268 . 1
82 1085 9 PHE CB C 41.128 . 1
83 1085 9 PHE CD1 C 129.524 . 3
84 1085 9 PHE CE1 C 129.351 . 3
85 1085 9 PHE CZ C 127.583 . 1
86 1085 9 PHE N N 125.465 . 1
87 1086 10 LYS H H 9.205 . 1
88 1086 10 LYS HA H 4.670 . 1
89 1086 10 LYS HB2 H 2.154 . 1
90 1086 10 LYS HB3 H 1.663 . 2
91 1086 10 LYS HG2 H 1.649 . 2
92 1086 10 LYS HG3 H 1.544 . 2
93 1086 10 LYS HD2 H 1.743 . 2
94 1086 10 LYS HE2 H 3.000 . 2
95 1086 10 LYS CA C 54.550 . 1
96 1086 10 LYS CB C 31.747 . 1
97 1086 10 LYS CG C 25.334 . 1
98 1086 10 LYS CD C 28.787 . 1
99 1086 10 LYS CE C 41.808 . 1
100 1086 10 LYS N N 123.840 . 1
101 1087 11 PRO HA H 4.223 . 1
102 1087 11 PRO HB2 H 2.433 . 2
103 1087 11 PRO HB3 H 2.035 . 2
104 1087 11 PRO HG2 H 2.271 . 2
105 1087 11 PRO HG3 H 2.183 . 2
106 1087 11 PRO HD2 H 3.968 . 2
107 1087 11 PRO HD3 H 3.892 . 2
108 1087 11 PRO CA C 66.190 . 1
109 1087 11 PRO CB C 32.101 . 1
110 1087 11 PRO CG C 27.841 . 1
111 1087 11 PRO CD C 50.572 . 1
112 1088 12 GLU H H 9.727 . 1
113 1088 12 GLU HA H 4.147 . 1
114 1088 12 GLU HB2 H 2.033 . 1
115 1088 12 GLU HG2 H 2.329 . 1
116 1088 12 GLU CA C 59.520 . 1
117 1088 12 GLU CB C 28.377 . 1
118 1088 12 GLU CG C 35.868 . 1
119 1088 12 GLU N N 118.073 . 1
120 1089 13 GLU H H 7.184 . 1
121 1089 13 GLU HA H 4.126 . 1
122 1089 13 GLU HB2 H 2.400 . 1
123 1089 13 GLU HB3 H 2.166 . 2
124 1089 13 GLU HG2 H 2.339 . 1
125 1089 13 GLU CA C 59.156 . 1
126 1089 13 GLU CB C 29.988 . 1
127 1089 13 GLU CG C 36.620 . 1
128 1089 13 GLU N N 120.000 . 1
129 1090 14 LEU H H 7.846 . 1
130 1090 14 LEU HA H 3.784 . 1
131 1090 14 LEU HB2 H 1.634 . .
132 1090 14 LEU HB3 H 1.320 . .
133 1090 14 LEU HG H 1.390 . 1
134 1090 14 LEU HD1 H 0.325 . 1
135 1090 14 LEU HD2 H 0.235 . 1
136 1090 14 LEU CA C 57.711 . 1
137 1090 14 LEU CB C 41.122 . 1
138 1090 14 LEU CG C 26.423 . 1
139 1090 14 LEU CD1 C 25.249 . 1
140 1090 14 LEU CD2 C 24.235 . 1
141 1090 14 LEU N N 119.353 . 1
142 1091 15 ARG H H 8.119 . 1
143 1091 15 ARG HA H 3.662 . 1
144 1091 15 ARG HB2 H 1.859 . 1
145 1091 15 ARG HG2 H 1.544 . 2
146 1091 15 ARG HG3 H 1.452 . 2
147 1091 15 ARG HD2 H 3.278 . 1
148 1091 15 ARG HE H 7.802 . 1
149 1091 15 ARG HH21 H 7.874 . .
150 1091 15 ARG CA C 60.523 . 1
151 1091 15 ARG CB C 29.734 . 1
152 1091 15 ARG CG C 28.314 . 1
153 1091 15 ARG CD C 43.463 . 1
154 1091 15 ARG N N 118.605 . 1
155 1091 15 ARG NE N 123.620 . 1
156 1092 16 GLN H H 7.740 . 1
157 1092 16 GLN HA H 3.920 . 1
158 1092 16 GLN HB2 H 2.112 . 1
159 1092 16 GLN HB3 H 2.072 . 2
160 1092 16 GLN HG2 H 2.485 . 1
161 1092 16 GLN HG3 H 2.397 . 2
162 1092 16 GLN HE21 H 7.581 . 1
163 1092 16 GLN HE22 H 6.831 . .
164 1092 16 GLN CA C 58.375 . 1
165 1092 16 GLN CB C 28.236 . 1
166 1092 16 GLN CG C 33.755 . 1
167 1092 16 GLN N N 115.610 . 1
168 1092 16 GLN NE2 N 111.632 . 1
169 1093 17 ALA H H 7.400 . 1
170 1093 17 ALA HA H 4.180 . 1
171 1093 17 ALA HB H 1.334 . 1
172 1093 17 ALA CA C 53.891 . 1
173 1093 17 ALA CB C 19.320 . 1
174 1093 17 ALA N N 117.144 . 1
175 1094 18 LEU H H 7.970 . 1
176 1094 18 LEU HA H 4.182 . 1
177 1094 18 LEU HB2 H 1.353 . 2
178 1094 18 LEU HB3 H 0.326 . 2
179 1094 18 LEU HG H 1.537 . 1
180 1094 18 LEU HD1 H 0.212 . 1
181 1094 18 LEU HD2 H 0.494 . 1
182 1094 18 LEU CA C 55.308 . 1
183 1094 18 LEU CB C 41.732 . 1
184 1094 18 LEU CG C 26.202 . 1
185 1094 18 LEU CD1 C 24.533 . 1
186 1094 18 LEU CD2 C 21.288 . 1
187 1094 18 LEU N N 111.130 . 1
188 1095 19 MET H H 8.657 . 1
189 1095 19 MET HA H 4.410 . 1
190 1095 19 MET HB2 H 2.215 . 1
191 1095 19 MET HB3 H 2.114 . 2
192 1095 19 MET HG2 H 2.657 . 1
193 1095 19 MET HG3 H 2.540 . 2
194 1095 19 MET HE H 2.016 . 1
195 1095 19 MET CA C 59.113 . 1
196 1095 19 MET CB C 28.528 . 1
197 1095 19 MET CG C 32.616 . 1
198 1095 19 MET CE C 17.196 . 1
199 1095 19 MET N N 123.158 . 1
200 1096 20 PRO HA H 4.426 . 1
201 1096 20 PRO HB2 H 2.404 . 1
202 1096 20 PRO HB3 H 1.734 . .
203 1096 20 PRO HG2 H 2.121 . 2
204 1096 20 PRO HG3 H 1.940 . 2
205 1096 20 PRO HD2 H 3.609 . .
206 1096 20 PRO HD3 H 3.323 . .
207 1096 20 PRO CA C 66.430 . 1
208 1096 20 PRO CB C 31.434 . 1
209 1096 20 PRO CG C 28.787 . 1
210 1096 20 PRO CD C 51.041 . 1
211 1097 21 THR H H 7.460 . 1
212 1097 21 THR HA H 4.130 . 1
213 1097 21 THR HB H 4.171 . 1
214 1097 21 THR HG2 H 1.292 . .
215 1097 21 THR CA C 64.532 . 1
216 1097 21 THR CB C 69.735 . 1
217 1097 21 THR CG2 C 23.186 . 1
218 1097 21 THR N N 126.690 . 1
219 1098 22 LEU H H 7.032 . 1
220 1098 22 LEU HA H 4.291 . 1
221 1098 22 LEU HB2 H 2.177 . 1
222 1098 22 LEU HB3 H 2.051 . 2
223 1098 22 LEU HG H 1.847 . 1
224 1098 22 LEU HD1 H 1.071 . 1
225 1098 22 LEU HD2 H 1.090 . 1
226 1098 22 LEU CA C 57.038 . 1
227 1098 22 LEU CB C 41.573 . 1
228 1098 22 LEU CG C 27.130 . 1
229 1098 22 LEU CD1 C 26.422 . 1
230 1098 22 LEU CD2 C 24.389 . 1
231 1098 22 LEU N N 125.009 . 1
232 1099 23 GLU H H 8.757 . 1
233 1099 23 GLU HA H 4.022 . 1
234 1099 23 GLU HB2 H 1.998 . 1
235 1099 23 GLU HB3 H 1.947 . 2
236 1099 23 GLU HG2 H 2.302 . 1
237 1099 23 GLU HG3 H 2.101 . 2
238 1099 23 GLU CA C 59.546 . 1
239 1099 23 GLU CB C 29.261 . 1
240 1099 23 GLU CG C 36.606 . 1
241 1099 23 GLU N N 119.300 . 1
242 1100 24 ALA H H 7.557 . 1
243 1100 24 ALA HA H 3.941 . 1
244 1100 24 ALA HB H 1.397 . .
245 1100 24 ALA CA C 54.833 . 1
246 1100 24 ALA CB C 17.729 . 1
247 1100 24 ALA N N 118.915 . 1
248 1101 25 LEU H H 7.252 . 1
249 1101 25 LEU HA H 4.091 . 1
250 1101 25 LEU HB2 H 2.273 . 1
251 1101 25 LEU HB3 H 1.062 . 1
252 1101 25 LEU HG H 2.374 . 1
253 1101 25 LEU HD1 H 0.632 . 1
254 1101 25 LEU HD2 H 0.868 . 1
255 1101 25 LEU CA C 57.446 . 1
256 1101 25 LEU CB C 41.103 . 1
257 1101 25 LEU CG C 25.947 . 1
258 1101 25 LEU CD1 C 25.723 . 1
259 1101 25 LEU CD2 C 23.366 . 1
260 1101 25 LEU N N 114.752 . 1
261 1102 26 TYR H H 7.875 . 1
262 1102 26 TYR HA H 3.682 . 1
263 1102 26 TYR HB2 H 2.878 . 1
264 1102 26 TYR HB3 H 2.815 . 2
265 1102 26 TYR HD1 H 7.000 . 1
266 1102 26 TYR HE1 H 6.590 . 1
267 1102 26 TYR CA C 62.712 . 1
268 1102 26 TYR CB C 39.207 . 1
269 1102 26 TYR CD1 C 130.473 . 3
270 1102 26 TYR CE1 C 115.343 . 3
271 1102 26 TYR N N 116.983 . 1
272 1103 27 ARG H H 7.814 . 1
273 1103 27 ARG HA H 4.021 . 1
274 1103 27 ARG HB2 H 1.891 . 1
275 1103 27 ARG HB3 H 1.814 . 2
276 1103 27 ARG HG2 H 1.684 . 2
277 1103 27 ARG HD2 H 3.173 . 2
278 1103 27 ARG HD3 H 3.114 . 2
279 1103 27 ARG CA C 57.323 . 1
280 1103 27 ARG CB C 29.971 . 1
281 1103 27 ARG CG C 27.841 . 1
282 1103 27 ARG CD C 43.483 . 1
283 1103 27 ARG N N 112.968 . 1
284 1104 28 GLN H H 7.273 . 1
285 1104 28 GLN HA H 4.114 . 1
286 1104 28 GLN HB2 H 2.060 . 1
287 1104 28 GLN HB3 H 2.014 . 2
288 1104 28 GLN HG2 H 2.731 . 2
289 1104 28 GLN HG3 H 2.030 . 2
290 1104 28 GLN HE21 H 7.939 . 2
291 1104 28 GLN HE22 H 6.993 . 2
292 1104 28 GLN CA C 54.828 . 1
293 1104 28 GLN CB C 26.183 . 1
294 1104 28 GLN CG C 32.594 . 1
295 1104 28 GLN N N 117.363 . 1
296 1104 28 GLN NE2 N 115.370 . 1
297 1105 29 ASP H H 8.253 . 1
298 1105 29 ASP HA H 4.741 . 1
299 1105 29 ASP HB2 H 2.788 . 1
300 1105 29 ASP HB3 H 2.259 . 1
301 1105 29 ASP CA C 50.800 . 1
302 1105 29 ASP CB C 43.228 . 1
303 1105 29 ASP N N 112.069 . 1
304 1106 30 PRO HA H 4.976 . 1
305 1106 30 PRO HB2 H 2.127 . 1
306 1106 30 PRO HB3 H 2.068 . 2
307 1106 30 PRO HG2 H 1.902 . 1
308 1106 30 PRO HG3 H 1.080 . 2
309 1106 30 PRO HD2 H 3.333 . .
310 1106 30 PRO CA C 64.859 . 1
311 1106 30 PRO CB C 34.469 . 1
312 1106 30 PRO CG C 25.000 . 1
313 1106 30 PRO CD C 49.857 . 1
314 1107 31 GLU H H 9.457 . 1
315 1107 31 GLU HA H 2.552 . 1
316 1107 31 GLU HB2 H 1.562 . 1
317 1107 31 GLU HB3 H 1.467 . 2
318 1107 31 GLU HG2 H 2.197 . 1
319 1107 31 GLU HG3 H 1.408 . 2
320 1107 31 GLU CA C 61.469 . 1
321 1107 31 GLU CB C 27.720 . 1
322 1107 31 GLU CG C 37.981 . 1
323 1107 31 GLU N N 123.928 . 1
324 1108 32 SER H H 7.992 . 1
325 1108 32 SER HA H 4.341 . 1
326 1108 32 SER HB2 H 4.378 . 1
327 1108 32 SER HB3 H 3.640 . 1
328 1108 32 SER CA C 60.036 . 1
329 1108 32 SER CB C 64.771 . 1
330 1108 32 SER N N 123.593 . 1
331 1109 33 LEU H H 7.967 . 1
332 1109 33 LEU HA H 3.816 . 1
333 1109 33 LEU HB2 H 1.933 . 1
334 1109 33 LEU HB3 H 1.390 . 2
335 1109 33 LEU HG H 1.580 . 1
336 1109 33 LEU HD1 H 0.933 . 1
337 1109 33 LEU HD2 H 0.774 . 1
338 1109 33 LEU CA C 60.756 . 1
339 1109 33 LEU CB C 37.783 . 1
340 1109 33 LEU CG C 28.791 . 1
341 1109 33 LEU CD1 C 24.622 . 1
342 1109 33 LEU CD2 C 22.430 . 1
343 1109 33 LEU N N 124.310 . 1
344 1110 34 PRO HA H 4.380 . 1
345 1110 34 PRO HB2 H 2.082 . 2
346 1110 34 PRO HB3 H 0.818 . 2
347 1110 34 PRO HG2 H 1.916 . 2
348 1110 34 PRO HG3 H 1.887 . 1
349 1110 34 PRO HD2 H 3.913 . 2
350 1110 34 PRO CA C 64.351 . 1
351 1110 34 PRO CB C 31.330 . 1
352 1110 34 PRO CG C 27.840 . 1
353 1110 34 PRO CD C 50.567 . 1
354 1111 35 PHE H H 8.027 . 1
355 1111 35 PHE HA H 4.743 . 1
356 1111 35 PHE HB2 H 3.746 . 1
357 1111 35 PHE HB3 H 2.580 . 1
358 1111 35 PHE HD1 H 7.348 . 1
359 1111 35 PHE HE1 H 7.210 . 1
360 1111 35 PHE HZ H 6.982 . 1
361 1111 35 PHE CA C 57.669 . 1
362 1111 35 PHE CB C 39.229 . 1
363 1111 35 PHE CD1 C 130.607 . 3
364 1111 35 PHE CE1 C 128.263 . 3
365 1111 35 PHE CZ C 126.033 . 1
366 1111 35 PHE N N 113.800 . 1
367 1112 36 ARG H H 7.121 . 1
368 1112 36 ARG HA H 3.905 . 1
369 1112 36 ARG HB2 H 2.139 . 1
370 1112 36 ARG HB3 H 1.857 . 1
371 1112 36 ARG HG2 H 2.169 . 2
372 1112 36 ARG HG3 H 1.358 . 2
373 1112 36 ARG HD2 H 3.213 . 2
374 1112 36 ARG HD3 H 3.001 . 2
375 1112 36 ARG HE H 6.438 . 1
376 1112 36 ARG CA C 59.590 . 1
377 1112 36 ARG CB C 31.390 . 1
378 1112 36 ARG CG C 27.841 . 1
379 1112 36 ARG CD C 44.179 . 1
380 1112 36 ARG N N 117.755 . 1
381 1112 36 ARG NE N 121.920 . 1
382 1113 37 GLN H H 7.580 . 1
383 1113 37 GLN HA H 4.862 . 1
384 1113 37 GLN HB2 H 2.166 . 2
385 1113 37 GLN HB3 H 1.748 . 2
386 1113 37 GLN HG2 H 2.222 . 2
387 1113 37 GLN HG3 H 2.162 . 2
388 1113 37 GLN HE21 H 7.423 . 2
389 1113 37 GLN HE22 H 6.838 . 2
390 1113 37 GLN CA C 52.671 . 1
391 1113 37 GLN CB C 29.929 . 1
392 1113 37 GLN CG C 32.590 . 1
393 1113 37 GLN N N 113.980 . 1
394 1113 37 GLN NE2 N 111.516 . 1
395 1114 38 PRO HA H 4.065 . 1
396 1114 38 PRO HB2 H 2.265 . 2
397 1114 38 PRO HB3 H 1.618 . 2
398 1114 38 PRO HG2 H 1.943 . 2
399 1114 38 PRO HD2 H 3.666 . 2
400 1114 38 PRO HD3 H 3.445 . 2
401 1114 38 PRO CA C 62.664 . 1
402 1114 38 PRO CB C 31.865 . 1
403 1114 38 PRO CG C 27.424 . 1
404 1114 38 PRO CD C 50.517 . 1
405 1115 39 VAL H H 8.429 . 1
406 1115 39 VAL HA H 3.019 . 1
407 1115 39 VAL HB H 1.225 . 1
408 1115 39 VAL HG1 H 0.473 . 1
409 1115 39 VAL HG2 H -0.638 . 1
410 1115 39 VAL CA C 64.680 . 1
411 1115 39 VAL CB C 32.442 . 1
412 1115 39 VAL CG1 C 21.921 . 1
413 1115 39 VAL CG2 C 20.280 . 1
414 1115 39 VAL N N 125.468 . 1
415 1116 40 ASP H H 7.258 . 1
416 1116 40 ASP HA H 4.984 . 1
417 1116 40 ASP HB2 H 2.850 . 1
418 1116 40 ASP HB3 H 2.327 . 2
419 1116 40 ASP CA C 49.953 . 1
420 1116 40 ASP CB C 41.571 . 1
421 1116 40 ASP N N 128.071 . 1
422 1117 41 PRO HA H 3.562 . 1
423 1117 41 PRO HB2 H 2.311 . 1
424 1117 41 PRO HB3 H 1.640 . 1
425 1117 41 PRO HG2 H 1.418 . 2
426 1117 41 PRO HG3 H 0.967 . 1
427 1117 41 PRO HD2 H 3.748 . 1
428 1117 41 PRO HD3 H 3.645 . 2
429 1117 41 PRO CA C 64.606 . 1
430 1117 41 PRO CB C 33.049 . 1
431 1117 41 PRO CG C 28.014 . 1
432 1117 41 PRO CD C 51.081 . 1
433 1118 42 GLN H H 7.744 . 1
434 1118 42 GLN HA H 3.972 . 1
435 1118 42 GLN HB2 H 2.060 . 1
436 1118 42 GLN HG2 H 2.320 . 2
437 1118 42 GLN HE21 H 7.654 . 2
438 1118 42 GLN HE22 H 6.874 . 2
439 1118 42 GLN CA C 58.143 . 1
440 1118 42 GLN CB C 27.841 . 1
441 1118 42 GLN CG C 33.976 . 1
442 1118 42 GLN N N 115.145 . 1
443 1118 42 GLN NE2 N 112.210 . 1
444 1119 43 LEU H H 7.414 . 1
445 1119 43 LEU HA H 3.946 . 1
446 1119 43 LEU HB2 H 1.474 . 2
447 1119 43 LEU HG H 1.400 . 1
448 1119 43 LEU HD1 H 0.763 . 1
449 1119 43 LEU HD2 H 0.804 . 1
450 1119 43 LEU CA C 57.196 . 1
451 1119 43 LEU CB C 42.045 . 1
452 1119 43 LEU CG C 26.940 . 1
453 1119 43 LEU CD1 C 24.255 . 1
454 1119 43 LEU CD2 C 23.510 . 1
455 1119 43 LEU N N 121.945 . 1
456 1120 44 LEU H H 7.481 . 1
457 1120 44 LEU HA H 4.040 . 1
458 1120 44 LEU HB2 H 1.307 . 2
459 1120 44 LEU HG H 1.393 . 1
460 1120 44 LEU HD1 H 0.448 . 2
461 1120 44 LEU HD2 H 0.247 . 1
462 1120 44 LEU CA C 54.590 . 1
463 1120 44 LEU CB C 42.990 . 1
464 1120 44 LEU CG C 26.815 . 1
465 1120 44 LEU CD1 C 26.145 . 1
466 1120 44 LEU CD2 C 20.900 . 1
467 1120 44 LEU N N 114.214 . 1
468 1121 45 GLY H H 7.367 . 1
469 1121 45 GLY HA2 H 3.910 . 2
470 1121 45 GLY N N 127.930 . 1
471 1122 46 ILE H H 7.842 . 1
472 1122 46 ILE HA H 4.897 . 1
473 1122 46 ILE HB H 2.393 . 1
474 1122 46 ILE HG12 H 1.624 . 1
475 1122 46 ILE HG13 H 0.570 . 1
476 1122 46 ILE HG2 H 0.940 . 1
477 1122 46 ILE HD1 H 0.352 . 1
478 1122 46 ILE CA C 57.430 . 1
479 1122 46 ILE CB C 38.257 . 1
480 1122 46 ILE CG1 C 25.360 . 2
481 1122 46 ILE CG2 C 18.590 . 1
482 1122 46 ILE CD1 C 13.161 . 1
483 1122 46 ILE N N 111.902 . 1
484 1123 47 PRO HA H 4.023 . 1
485 1123 47 PRO HB2 H 2.229 . 2
486 1123 47 PRO HB3 H 2.029 . 1
487 1123 47 PRO HG2 H 1.936 . 2
488 1123 47 PRO HD2 H 3.740 . 1
489 1123 47 PRO HD3 H 3.274 . 2
490 1123 47 PRO CA C 64.729 . 1
491 1123 47 PRO CB C 31.865 . 1
492 1123 47 PRO CG C 26.890 . 1
493 1123 47 PRO CD C 50.560 . 1
494 1124 48 ASP H H 8.412 . 1
495 1124 48 ASP HA H 4.620 . 1
496 1124 48 ASP HB2 H 3.100 . 1
497 1124 48 ASP HB3 H 2.646 . 2
498 1124 48 ASP CA C 53.737 . 1
499 1124 48 ASP CB C 40.167 . 1
500 1124 48 ASP N N 118.373 . 1
501 1125 49 TYR H H 7.978 . 1
502 1125 49 TYR HA H 3.565 . 1
503 1125 49 TYR HB2 H 2.740 . 1
504 1125 49 TYR HB3 H 1.940 . 1
505 1125 49 TYR HD1 H 5.470 . 1
506 1125 49 TYR HE1 H 6.173 . 1
507 1125 49 TYR CA C 63.873 . 1
508 1125 49 TYR CB C 39.185 . 1
509 1125 49 TYR CD1 C 130.679 . 3
510 1125 49 TYR CE1 C 114.332 . 3
511 1125 49 TYR N N 122.142 . 1
512 1126 50 PHE H H 8.489 . 1
513 1126 50 PHE HA H 4.932 . 1
514 1126 50 PHE HB2 H 3.444 . 1
515 1126 50 PHE HB3 H 2.930 . 1
516 1126 50 PHE HD1 H 7.420 . 1
517 1126 50 PHE HE1 H 7.418 . 3
518 1126 50 PHE HZ H 7.334 . 1
519 1126 50 PHE CA C 56.890 . 1
520 1126 50 PHE CB C 37.058 . 1
521 1126 50 PHE CD1 C 128.661 . 3
522 1126 50 PHE CE1 C 129.161 . 3
523 1126 50 PHE CZ C 127.415 . 1
524 1126 50 PHE N N 113.292 . 1
525 1127 51 ASP H H 7.618 . 1
526 1127 51 ASP HA H 4.456 . 1
527 1127 51 ASP HB2 H 2.917 . .
528 1127 51 ASP HB3 H 2.688 . .
529 1127 51 ASP CA C 56.001 . 1
530 1127 51 ASP CB C 40.426 . 1
531 1127 51 ASP N N 117.754 . 1
532 1128 52 ILE H H 7.162 . 1
533 1128 52 ILE HA H 3.976 . 1
534 1128 52 ILE HB H 1.826 . 1
535 1128 52 ILE HG12 H 1.561 . 1
536 1128 52 ILE HG13 H 1.384 . 1
537 1128 52 ILE HG2 H 0.967 . 1
538 1128 52 ILE HD1 H 0.879 . 1
539 1128 52 ILE CA C 61.543 . 1
540 1128 52 ILE CB C 39.681 . 1
541 1128 52 ILE CG1 C 28.073 . 1
542 1128 52 ILE CG2 C 17.522 . .
543 1128 52 ILE CD1 C 11.812 . 1
544 1128 52 ILE N N 118.841 . 1
545 1129 53 VAL H H 8.598 . 1
546 1129 53 VAL HA H 3.502 . 1
547 1129 53 VAL HB H 1.054 . 1
548 1129 53 VAL HG1 H 0.424 . 1
549 1129 53 VAL HG2 H 0.586 . 1
550 1129 53 VAL CA C 62.493 . 1
551 1129 53 VAL CB C 30.832 . 1
552 1129 53 VAL CG1 C 21.473 . 1
553 1129 53 VAL CG2 C 20.182 . 1
554 1129 53 VAL N N 122.463 . 1
555 1130 54 LYS H H 7.639 . 1
556 1130 54 LYS HA H 4.239 . 1
557 1130 54 LYS HB2 H 1.793 . .
558 1130 54 LYS HB3 H 1.652 . 1
559 1130 54 LYS HG2 H 1.435 . 2
560 1130 54 LYS HG3 H 1.337 . 2
561 1130 54 LYS HD2 H 1.573 . 1
562 1130 54 LYS HE2 H 2.927 . 2
563 1130 54 LYS CA C 56.278 . 1
564 1130 54 LYS CB C 32.338 . 1
565 1130 54 LYS CG C 24.526 . 1
566 1130 54 LYS CD C 27.845 . 1
567 1130 54 LYS CE C 42.414 . 1
568 1130 54 LYS N N 123.149 . 1
569 1131 55 ASN H H 8.571 . 1
570 1131 55 ASN HA H 5.228 . 1
571 1131 55 ASN HB2 H 2.715 . .
572 1131 55 ASN HD21 H 6.901 . 2
573 1131 55 ASN HD22 H 7.614 . 1
574 1131 55 ASN CA C 50.528 . 1
575 1131 55 ASN CB C 40.159 . 1
576 1131 55 ASN N N 116.992 . 1
577 1131 55 ASN ND2 N 114.060 . 1
578 1132 56 PRO HA H 4.094 . 1
579 1132 56 PRO HB2 H 2.424 . 1
580 1132 56 PRO HB3 H 2.051 . 2
581 1132 56 PRO HG2 H 2.132 . 1
582 1132 56 PRO HG3 H 1.972 . 1
583 1132 56 PRO HD2 H 3.665 . 1
584 1132 56 PRO HD3 H 3.443 . 1
585 1132 56 PRO CA C 62.653 . 1
586 1132 56 PRO CB C 32.917 . 1
587 1132 56 PRO CG C 27.792 . 1
588 1132 56 PRO CD C 50.427 . 1
589 1133 57 MET H H 8.430 . 1
590 1133 57 MET HA H 5.047 . 1
591 1133 57 MET HB2 H 2.156 . 1
592 1133 57 MET HB3 H 1.238 . 1
593 1133 57 MET HG2 H 2.987 . 1
594 1133 57 MET HE H 1.984 . 1
595 1133 57 MET CA C 54.109 . 1
596 1133 57 MET CB C 31.865 . 1
597 1133 57 MET CG C 30.680 . 1
598 1133 57 MET CE C 14.144 . 1
599 1133 57 MET N N 119.070 . 1
600 1134 58 ASP H H 7.248 . 1
601 1134 58 ASP HA H 4.850 . 1
602 1134 58 ASP HB2 H 2.576 . 1
603 1134 58 ASP HB3 H 2.285 . 1
604 1134 58 ASP CA C 53.183 . 1
605 1134 58 ASP CB C 43.740 . 1
606 1134 58 ASP N N 120.763 . 1
607 1135 59 LEU H H 8.778 . 1
608 1135 59 LEU HA H 3.788 . 1
609 1135 59 LEU HB2 H 1.649 . 1
610 1135 59 LEU HB3 H 1.285 . 1
611 1135 59 LEU HG H 1.498 . 1
612 1135 59 LEU HD1 H 0.113 . 1
613 1135 59 LEU HD2 H 0.508 . 1
614 1135 59 LEU CA C 58.619 . 1
615 1135 59 LEU CB C 42.380 . 1
616 1135 59 LEU CG C 26.420 . 1
617 1135 59 LEU CD1 C 25.072 . 1
618 1135 59 LEU CD2 C 24.062 . 1
619 1135 59 LEU N N 119.216 . 1
620 1136 60 SER H H 8.217 . 1
621 1136 60 SER HA H 4.208 . 1
622 1136 60 SER HB2 H 4.346 . 2
623 1136 60 SER HB3 H 3.922 . 2
624 1136 60 SER CA C 61.930 . 1
625 1136 60 SER CB C 61.930 . 1
626 1136 60 SER N N 115.677 . 1
627 1137 61 THR H H 7.286 . 1
628 1137 61 THR HA H 3.888 . 1
629 1137 61 THR HB H 4.233 . 1
630 1137 61 THR HG2 H 1.133 . .
631 1137 61 THR CA C 66.902 . 1
632 1137 61 THR CB C 68.263 . 1
633 1137 61 THR CG2 C 21.478 . 1
634 1137 61 THR N N 124.850 . 1
635 1138 62 ILE H H 7.504 . 1
636 1138 62 ILE HA H 3.909 . 1
637 1138 62 ILE HB H 1.669 . 1
638 1138 62 ILE HG12 H 1.872 . 1
639 1138 62 ILE HG13 H 0.872 . 1
640 1138 62 ILE HG2 H 1.150 . .
641 1138 62 ILE HD1 H 0.301 . 1
642 1138 62 ILE CA C 65.456 . 1
643 1138 62 ILE CB C 38.723 . 1
644 1138 62 ILE CG1 C 30.070 . 1
645 1138 62 ILE CG2 C 19.080 . 1
646 1138 62 ILE CD1 C 14.202 . 1
647 1138 62 ILE N N 123.696 . 1
648 1139 63 LYS H H 8.761 . 1
649 1139 63 LYS HA H 3.689 . 1
650 1139 63 LYS HB2 H 1.997 . 2
651 1139 63 LYS HG2 H 1.470 . 2
652 1139 63 LYS HG3 H 1.190 . 2
653 1139 63 LYS HD2 H 1.527 . 1
654 1139 63 LYS HE2 H 2.815 . 1
655 1139 63 LYS CA C 60.297 . 1
656 1139 63 LYS CB C 32.748 . 1
657 1139 63 LYS CG C 25.235 . 1
658 1139 63 LYS CD C 28.982 . 1
659 1139 63 LYS CE C 42.064 . 1
660 1139 63 LYS N N 119.111 . 1
661 1140 64 ARG H H 7.800 . 1
662 1140 64 ARG HA H 4.168 . 1
663 1140 64 ARG HB2 H 1.972 . 1
664 1140 64 ARG HB3 H 1.937 . 2
665 1140 64 ARG HG2 H 1.668 . 2
666 1140 64 ARG HG3 H 1.493 . 1
667 1140 64 ARG HD2 H 3.206 . 2
668 1140 64 ARG CA C 59.375 . 1
669 1140 64 ARG CB C 29.458 . 1
670 1140 64 ARG CG C 27.172 . 1
671 1140 64 ARG CD C 42.992 . 1
672 1140 64 ARG N N 118.041 . 1
673 1141 65 LYS H H 8.454 . 1
674 1141 65 LYS HA H 3.408 . 1
675 1141 65 LYS HB2 H 1.964 . 2
676 1141 65 LYS HB3 H 0.568 . 1
677 1141 65 LYS HG2 H 1.852 . 2
678 1141 65 LYS HG3 H 0.737 . 2
679 1141 65 LYS HD2 H 1.536 . 2
680 1141 65 LYS HD3 H 1.342 . 2
681 1141 65 LYS HE2 H 2.378 . 1
682 1141 65 LYS HZ H 6.794 . 1
683 1141 65 LYS CA C 61.018 . 1
684 1141 65 LYS CB C 31.390 . 1
685 1141 65 LYS CG C 26.183 . 1
686 1141 65 LYS CD C 28.788 . 1
687 1141 65 LYS CE C 41.366 . 1
688 1141 65 LYS N N 122.000 . 1
689 1142 66 LEU H H 8.549 . 1
690 1142 66 LEU HA H 4.353 . 1
691 1142 66 LEU HB2 H 1.909 . .
692 1142 66 LEU HB3 H 1.730 . 1
693 1142 66 LEU HG H 1.728 . 1
694 1142 66 LEU HD1 H 0.726 . 1
695 1142 66 LEU HD2 H 0.832 . 1
696 1142 66 LEU CA C 57.444 . 1
697 1142 66 LEU CB C 43.007 . 1
698 1142 66 LEU CG C 27.588 . 1
699 1142 66 LEU CD1 C 25.561 . 1
700 1142 66 LEU CD2 C 25.248 . .
701 1142 66 LEU N N 120.475 . 1
702 1143 67 ASP H H 9.113 . 1
703 1143 67 ASP HA H 4.353 . 1
704 1143 67 ASP HB2 H 2.843 . .
705 1143 67 ASP HB3 H 2.592 . 1
706 1143 67 ASP CA C 57.239 . 1
707 1143 67 ASP CB C 41.112 . 1
708 1143 67 ASP N N 120.000 . 1
709 1144 68 THR H H 7.734 . 1
710 1144 68 THR HA H 4.503 . 1
711 1144 68 THR HB H 4.506 . 1
712 1144 68 THR HG2 H 1.222 . 1
713 1144 68 THR CA C 61.074 . 1
714 1144 68 THR CB C 69.820 . 1
715 1144 68 THR CG2 C 21.093 . 1
716 1144 68 THR N N 125.130 . 1
717 1145 69 GLY H H 7.410 . 1
718 1145 69 GLY HA2 H 4.251 . .
719 1145 69 GLY HA3 H 3.907 . .
720 1145 69 GLY CA C 47.490 . 1
721 1145 69 GLY N N 109.893 . 1
722 1146 70 GLN H H 8.357 . 1
723 1146 70 GLN HA H 3.975 . 1
724 1146 70 GLN HB2 H 1.985 . 1
725 1146 70 GLN HB3 H 1.069 . 2
726 1146 70 GLN HG2 H 2.238 . 1
727 1146 70 GLN HG3 H 2.211 . 2
728 1146 70 GLN HE21 H 7.312 . 1
729 1146 70 GLN HE22 H 6.815 . 1
730 1146 70 GLN CA C 56.485 . 1
731 1146 70 GLN CB C 28.562 . 1
732 1146 70 GLN CG C 34.249 . 1
733 1146 70 GLN N N 114.731 . 1
734 1146 70 GLN NE2 N 113.320 . 1
735 1147 71 TYR H H 8.095 . 1
736 1147 71 TYR HA H 4.769 . 1
737 1147 71 TYR HB2 H 2.740 . 1
738 1147 71 TYR HB3 H 2.650 . 1
739 1147 71 TYR HD1 H 6.890 . 3
740 1147 71 TYR HE1 H 6.518 . 3
741 1147 71 TYR CA C 56.250 . 1
742 1147 71 TYR CB C 37.547 . 1
743 1147 71 TYR CD1 C 129.870 . 3
744 1147 71 TYR CE1 C 114.972 . 3
745 1147 71 TYR N N 117.654 . 1
746 1148 72 GLN H H 8.885 . 1
747 1148 72 GLN HA H 4.281 . 1
748 1148 72 GLN HB2 H 2.255 . 1
749 1148 72 GLN HB3 H 2.136 . 1
750 1148 72 GLN HG2 H 2.411 . .
751 1148 72 GLN HE21 H 7.596 . 1
752 1148 72 GLN HE22 H 6.763 . 1
753 1148 72 GLN CA C 56.938 . 1
754 1148 72 GLN CB C 30.395 . 1
755 1148 72 GLN CG C 34.572 . 1
756 1148 72 GLN N N 120.686 . 1
757 1148 72 GLN NE2 N 112.904 . 1
758 1149 73 GLU H H 7.640 . 1
759 1149 73 GLU HA H 4.633 . 1
760 1149 73 GLU HB2 H 2.173 . 1
761 1149 73 GLU HB3 H 1.427 . 1
762 1149 73 GLU HG2 H 2.435 . 2
763 1149 73 GLU HG3 H 2.255 . 2
764 1149 73 GLU CA C 53.092 . 1
765 1149 73 GLU CB C 31.812 . 1
766 1149 73 GLU CG C 35.653 . 1
767 1149 73 GLU N N 114.158 . 1
768 1150 74 PRO HA H 3.760 . 1
769 1150 74 PRO HB2 H 1.747 . 1
770 1150 74 PRO HG2 H 1.790 . 1
771 1150 74 PRO HG3 H 1.385 . 1
772 1150 74 PRO HD2 H 3.745 . 1
773 1150 74 PRO HD3 H 2.759 . 1
774 1150 74 PRO CA C 65.424 . 1
775 1150 74 PRO CB C 31.628 . 1
776 1150 74 PRO CG C 27.379 . 1
777 1150 74 PRO CD C 50.094 . 1
778 1151 75 TRP H H 7.895 . 1
779 1151 75 TRP HA H 4.206 . 1
780 1151 75 TRP HB2 H 3.575 . 1
781 1151 75 TRP HB3 H 3.250 . 1
782 1151 75 TRP HD1 H 7.463 . 1
783 1151 75 TRP HE1 H 10.271 . .
784 1151 75 TRP HE3 H 7.541 . 3
785 1151 75 TRP HZ2 H 7.476 . 3
786 1151 75 TRP HZ3 H 7.193 . 3
787 1151 75 TRP HH2 H 7.251 . 1
788 1151 75 TRP CA C 59.607 . 1
789 1151 75 TRP CB C 27.369 . 1
790 1151 75 TRP CD1 C 125.029 . 3
791 1151 75 TRP CE3 C 118.740 . 3
792 1151 75 TRP CZ2 C 112.030 . 3
793 1151 75 TRP CZ3 C 120.303 . 3
794 1151 75 TRP CH2 C 122.493 . 1
795 1151 75 TRP N N 115.336 . 1
796 1151 75 TRP NE1 N 110.690 . 1
797 1152 76 GLN H H 6.923 . 1
798 1152 76 GLN HA H 3.857 . 1
799 1152 76 GLN HB2 H 2.191 . 2
800 1152 76 GLN HB3 H 2.040 . 2
801 1152 76 GLN HG2 H 1.829 . 2
802 1152 76 GLN HG3 H 1.265 . 2
803 1152 76 GLN CA C 58.388 . 1
804 1152 76 GLN CB C 29.970 . 1
805 1152 76 GLN CG C 33.285 . 1
806 1152 76 GLN N N 118.537 . 1
807 1153 77 TYR H H 6.269 . 1
808 1153 77 TYR HA H 3.366 . 1
809 1153 77 TYR HB2 H 2.638 . 1
810 1153 77 TYR HB3 H 1.751 . 1
811 1153 77 TYR HD1 H 6.697 . 1
812 1153 77 TYR HE1 H 6.591 . 1
813 1153 77 TYR HH H 5.810 . 1
814 1153 77 TYR CA C 59.603 . 1
815 1153 77 TYR CB C 37.582 . 1
816 1153 77 TYR CD1 C 131.064 . 3
817 1153 77 TYR CE1 C 115.754 . 3
818 1153 77 TYR N N 120.538 . 1
819 1154 78 VAL H H 7.308 . 1
820 1154 78 VAL HA H 3.044 . 1
821 1154 78 VAL HB H 2.282 . 1
822 1154 78 VAL HG1 H 1.279 . 1
823 1154 78 VAL HG2 H 1.130 . 1
824 1154 78 VAL CA C 67.305 . 1
825 1154 78 VAL CB C 31.982 . 1
826 1154 78 VAL CG1 C 22.723 . 1
827 1154 78 VAL CG2 C 23.586 . 1
828 1154 78 VAL N N 119.139 . 1
829 1155 79 ASP H H 8.412 . 1
830 1155 79 ASP HA H 4.555 . 1
831 1155 79 ASP HB2 H 2.840 . .
832 1155 79 ASP HB3 H 2.708 . 2
833 1155 79 ASP CA C 57.431 . 1
834 1155 79 ASP CB C 40.150 . 1
835 1155 79 ASP N N 116.981 . 1
836 1156 80 ASP H H 7.149 . 1
837 1156 80 ASP HA H 4.554 . 1
838 1156 80 ASP HB2 H 2.781 . 1
839 1156 80 ASP HB3 H 2.500 . 1
840 1156 80 ASP CA C 57.217 . 1
841 1156 80 ASP CB C 39.685 . 1
842 1156 80 ASP N N 121.764 . 1
843 1157 81 VAL H H 7.376 . 1
844 1157 81 VAL HA H 2.475 . 1
845 1157 81 VAL HB H 0.854 . 1
846 1157 81 VAL HG1 H -0.290 . .
847 1157 81 VAL HG2 H -1.527 . .
848 1157 81 VAL CA C 66.826 . 1
849 1157 81 VAL CB C 30.274 . 1
850 1157 81 VAL CG1 C 20.747 . 1
851 1157 81 VAL CG2 C 20.740 . 1
852 1157 81 VAL N N 121.680 . 1
853 1158 82 TRP H H 7.916 . 1
854 1158 82 TRP HA H 3.960 . 1
855 1158 82 TRP HB2 H 3.261 . .
856 1158 82 TRP HB3 H 3.072 . 1
857 1158 82 TRP HD1 H 7.464 . 1
858 1158 82 TRP HE1 H 10.488 . .
859 1158 82 TRP HE3 H 7.849 . 1
860 1158 82 TRP HZ2 H 7.690 . 3
861 1158 82 TRP HZ3 H 7.495 . 1
862 1158 82 TRP HH2 H 7.458 . 1
863 1158 82 TRP CA C 60.740 . 1
864 1158 82 TRP CB C 28.372 . 1
865 1158 82 TRP CD1 C 125.237 . 3
866 1158 82 TRP CE3 C 118.344 . 3
867 1158 82 TRP CZ2 C 112.130 . 3
868 1158 82 TRP CZ3 C 119.902 . 3
869 1158 82 TRP CH2 C 122.403 . 1
870 1158 82 TRP N N 115.217 . 1
871 1158 82 TRP NE1 N 127.395 . 1
872 1159 83 LEU H H 8.054 . 1
873 1159 83 LEU HA H 4.229 . 1
874 1159 83 LEU HB2 H 2.174 . 1
875 1159 83 LEU HB3 H 1.632 . 1
876 1159 83 LEU HG H 1.402 . 1
877 1159 83 LEU HD1 H 0.886 . 1
878 1159 83 LEU HD2 H 1.100 . 1
879 1159 83 LEU CA C 58.161 . 1
880 1159 83 LEU CB C 42.045 . 1
881 1159 83 LEU CG C 27.367 . 1
882 1159 83 LEU CD1 C 26.187 . 1
883 1159 83 LEU CD2 C 22.722 . 1
884 1159 83 LEU N N 122.922 . 1
885 1160 84 MET H H 7.283 . 1
886 1160 84 MET HA H 3.672 . 1
887 1160 84 MET HB2 H 2.233 . 1
888 1160 84 MET HB3 H 1.212 . 1
889 1160 84 MET HG2 H 2.605 . 1
890 1160 84 MET HG3 H 1.831 . 2
891 1160 84 MET HE H 1.159 . 1
892 1160 84 MET CA C 59.825 . 1
893 1160 84 MET CB C 33.049 . 1
894 1160 84 MET CG C 31.466 . 1
895 1160 84 MET CE C 17.117 . 1
896 1160 84 MET N N 117.364 . 1
897 1161 85 PHE H H 7.472 . 1
898 1161 85 PHE HA H 4.226 . 1
899 1161 85 PHE HB2 H 2.500 . 1
900 1161 85 PHE HB3 H 1.482 . 1
901 1161 85 PHE HD1 H 6.040 . 1
902 1161 85 PHE HE1 H 6.035 . 1
903 1161 85 PHE HZ H 6.003 . 1
904 1161 85 PHE CA C 56.459 . 1
905 1161 85 PHE CB C 36.600 . 1
906 1161 85 PHE CD1 C 127.272 . 3
907 1161 85 PHE CE1 C 124.731 . 3
908 1161 85 PHE CZ C 127.642 . 1
909 1161 85 PHE N N 118.587 . 1
910 1162 86 ASN H H 9.580 . 1
911 1162 86 ASN HA H 4.780 . 1
912 1162 86 ASN HB2 H 3.130 . 1
913 1162 86 ASN HB3 H 2.911 . 1
914 1162 86 ASN HD21 H 7.790 . 1
915 1162 86 ASN HD22 H 7.213 . 1
916 1162 86 ASN CA C 56.700 . 1
917 1162 86 ASN CB C 37.779 . 1
918 1162 86 ASN N N 118.829 . 1
919 1162 86 ASN ND2 N 111.653 . 1
920 1163 87 ASN H H 8.904 . 1
921 1163 87 ASN HA H 4.415 . 1
922 1163 87 ASN HB2 H 3.051 . 1
923 1163 87 ASN HB3 H 2.741 . 1
924 1163 87 ASN HD21 H 7.433 . .
925 1163 87 ASN HD22 H 6.220 . .
926 1163 87 ASN CA C 55.501 . 1
927 1163 87 ASN CB C 38.241 . 1
928 1163 87 ASN N N 119.241 . 1
929 1164 88 ALA H H 7.290 . 1
930 1164 88 ALA HA H 4.542 . 1
931 1164 88 ALA HB H 1.771 . 1
932 1164 88 ALA CA C 54.842 . 1
933 1164 88 ALA CB C 17.745 . 1
934 1164 88 ALA N N 121.466 . 1
935 1165 89 TRP H H 8.643 . 1
936 1165 89 TRP HA H 4.786 . 1
937 1165 89 TRP HB2 H 3.324 . 1
938 1165 89 TRP HB3 H 3.105 . 1
939 1165 89 TRP HD1 H 4.991 . 1
940 1165 89 TRP HE1 H 8.834 . 1
941 1165 89 TRP HE3 H 7.591 . 3
942 1165 89 TRP HZ2 H 6.976 . 3
943 1165 89 TRP HZ3 H 7.250 . 3
944 1165 89 TRP HH2 H 6.980 . 1
945 1165 89 TRP CA C 58.853 . 1
946 1165 89 TRP CB C 28.077 . 1
947 1165 89 TRP CD1 C 120.727 . 3
948 1165 89 TRP CE3 C 118.774 . 3
949 1165 89 TRP CZ2 C 111.503 . 3
950 1165 89 TRP CZ3 C 119.162 . 3
951 1165 89 TRP CH2 C 121.361 . 1
952 1165 89 TRP N N 119.930 . 1
953 1165 89 TRP NE1 N 127.018 . 1
954 1166 90 LEU H H 8.097 . 1
955 1166 90 LEU HA H 4.405 . 1
956 1166 90 LEU HB2 H 2.181 . 1
957 1166 90 LEU HB3 H 1.812 . 1
958 1166 90 LEU HG H 1.383 . 1
959 1166 90 LEU HD1 H 0.976 . 1
960 1166 90 LEU HD2 H 0.977 . 1
961 1166 90 LEU CA C 56.722 . 1
962 1166 90 LEU CB C 42.993 . 1
963 1166 90 LEU CG C 27.135 . 1
964 1166 90 LEU CD1 C 26.436 . 1
965 1166 90 LEU CD2 C 22.883 . 1
966 1166 90 LEU N N 118.680 . 1
967 1167 91 TYR H H 8.299 . 1
968 1167 91 TYR HA H 3.986 . 1
969 1167 91 TYR HB2 H 3.040 . 1
970 1167 91 TYR HB3 H 2.970 . 2
971 1167 91 TYR HD1 H 7.042 . 1
972 1167 91 TYR HE1 H 6.764 . 1
973 1167 91 TYR CA C 62.004 . 1
974 1167 91 TYR CB C 40.396 . 1
975 1167 91 TYR CD1 C 130.421 . 3
976 1167 91 TYR CE1 C 115.780 . 3
977 1167 91 TYR N N 115.600 . 1
978 1168 92 ASN H H 7.616 . 1
979 1168 92 ASN HA H 4.635 . 1
980 1168 92 ASN HB2 H 3.080 . 1
981 1168 92 ASN HB3 H 2.880 . 1
982 1168 92 ASN CA C 52.900 . 1
983 1168 92 ASN CB C 40.861 . 1
984 1168 92 ASN N N 112.998 . 1
985 1169 93 ARG H H 8.776 . 1
986 1169 93 ARG HA H 4.287 . 1
987 1169 93 ARG HB2 H 1.840 . 1
988 1169 93 ARG HB3 H 1.733 . 2
989 1169 93 ARG HG2 H 1.729 . 2
990 1169 93 ARG HD2 H 3.142 . 2
991 1169 93 ARG CA C 55.792 . 1
992 1169 93 ARG CB C 31.155 . 1
993 1169 93 ARG CG C 27.367 . 1
994 1169 93 ARG CD C 42.999 . 1
995 1169 93 ARG N N 118.064 . 1
996 1170 94 LYS H H 8.800 . 1
997 1170 94 LYS HA H 2.132 . 1
998 1170 94 LYS HB2 H 1.402 . 1
999 1170 94 LYS HB3 H 1.349 . 1
1000 1170 94 LYS HG2 H 1.153 . 1
1001 1170 94 LYS HG3 H 1.029 . 2
1002 1170 94 LYS HD2 H 1.489 . 2
1003 1170 94 LYS HE2 H 2.861 . 2
1004 1170 94 LYS CA C 58.466 . 1
1005 1170 94 LYS CB C 32.108 . 1
1006 1170 94 LYS CG C 25.233 . 1
1007 1170 94 LYS CD C 29.061 . 1
1008 1170 94 LYS CE C 41.705 . 1
1009 1170 94 LYS N N 122.800 . 1
1010 1171 95 THR H H 6.878 . 1
1011 1171 95 THR HA H 4.095 . 1
1012 1171 95 THR HB H 4.443 . 1
1013 1171 95 THR HG2 H 1.112 . 1
1014 1171 95 THR CA C 60.723 . 1
1015 1171 95 THR CB C 68.743 . 1
1016 1171 95 THR CG2 C 21.926 . 1
1017 1171 95 THR N N 122.614 . 1
1018 1172 96 SER H H 7.863 . 1
1019 1172 96 SER HA H 4.377 . 1
1020 1172 96 SER HB2 H 4.393 . 2
1021 1172 96 SER HB3 H 4.049 . 2
1022 1172 96 SER CA C 58.150 . 1
1023 1172 96 SER CB C 65.955 . 1
1024 1172 96 SER N N 118.228 . 1
1025 1173 97 ARG H H 8.821 . 1
1026 1173 97 ARG HA H 3.660 . 1
1027 1173 97 ARG HB2 H 1.592 . 1
1028 1173 97 ARG HB3 H 1.380 . 1
1029 1173 97 ARG HG2 H 0.857 . 1
1030 1173 97 ARG HG3 H 0.514 . 2
1031 1173 97 ARG HD2 H 3.060 . 1
1032 1173 97 ARG CA C 59.090 . 1
1033 1173 97 ARG CB C 29.972 . 1
1034 1173 97 ARG CG C 26.420 . 1
1035 1173 97 ARG CD C 43.400 . 1
1036 1173 97 ARG N N 123.616 . 1
1037 1174 98 VAL H H 8.013 . 1
1038 1174 98 VAL HA H 3.189 . 1
1039 1174 98 VAL HB H 1.594 . 1
1040 1174 98 VAL HG1 H 0.692 . 1
1041 1174 98 VAL HG2 H 0.535 . 1
1042 1174 98 VAL CA C 67.350 . 1
1043 1174 98 VAL CB C 31.506 . 1
1044 1174 98 VAL CG1 C 22.860 . 1
1045 1174 98 VAL CG2 C 22.270 . 1
1046 1174 98 VAL N N 114.955 . 1
1047 1175 99 TYR H H 7.318 . 1
1048 1175 99 TYR HA H 3.726 . 1
1049 1175 99 TYR HB2 H 3.371 . 1
1050 1175 99 TYR HB3 H 2.549 . 2
1051 1175 99 TYR HD1 H 7.134 . 3
1052 1175 99 TYR HE1 H 7.022 . 3
1053 1175 99 TYR CA C 62.170 . 1
1054 1175 99 TYR CB C 40.151 . 1
1055 1175 99 TYR CD1 C 132.310 . 3
1056 1175 99 TYR CE1 C 116.120 . 3
1057 1175 99 TYR N N 121.300 . 1
1058 1176 100 LYS H H 7.760 . 1
1059 1176 100 LYS HA H 4.319 . 1
1060 1176 100 LYS HB2 H 2.015 . 1
1061 1176 100 LYS HG2 H 1.686 . 2
1062 1176 100 LYS HG3 H 1.589 . 2
1063 1176 100 LYS HD2 H 1.695 . 2
1064 1176 100 LYS HD3 H 1.616 . 2
1065 1176 100 LYS HE2 H 2.916 . 2
1066 1176 100 LYS CA C 60.096 . 1
1067 1176 100 LYS CB C 31.835 . 1
1068 1176 100 LYS CG C 25.473 . 1
1069 1176 100 LYS CD C 29.458 . 1
1070 1176 100 LYS CE C 41.794 . 1
1071 1176 100 LYS N N 118.220 . 1
1072 1177 101 PHE H H 9.149 . 1
1073 1177 101 PHE HA H 4.437 . 1
1074 1177 101 PHE HB2 H 3.902 . 2
1075 1177 101 PHE HB3 H 3.509 . 2
1076 1177 101 PHE HD1 H 7.020 . 1
1077 1177 101 PHE HE1 H 7.253 . 1
1078 1177 101 PHE HZ H 7.116 . 1
1079 1177 101 PHE CA C 57.196 . 1
1080 1177 101 PHE CB C 36.060 . 1
1081 1177 101 PHE CD1 C 127.437 . 3
1082 1177 101 PHE CE1 C 128.662 . 3
1083 1177 101 PHE CZ C 126.572 . 1
1084 1177 101 PHE N N 121.360 . 1
1085 1178 102 CYS H H 8.526 . 1
1086 1178 102 CYS HA H 3.164 . 1
1087 1178 102 CYS HB2 H 3.095 . 1
1088 1178 102 CYS HB3 H 2.784 . 1
1089 1178 102 CYS CA C 61.231 . 1
1090 1178 102 CYS CB C 25.810 . 1
1091 1178 102 CYS N N 120.174 . 1
1092 1179 103 SER H H 8.437 . 1
1093 1179 103 SER HA H 4.461 . 1
1094 1179 103 SER HB2 H 4.251 . 2
1095 1179 103 SER HB3 H 4.105 . 2
1096 1179 103 SER CA C 62.653 . 1
1097 1179 103 SER CB C 62.430 . 1
1098 1179 103 SER N N 112.850 . 1
1099 1180 104 LYS H H 7.790 . 1
1100 1180 104 LYS HA H 4.229 . 1
1101 1180 104 LYS HB2 H 2.020 . 2
1102 1180 104 LYS HB3 H 2.007 . 2
1103 1180 104 LYS HG2 H 1.473 . 2
1104 1180 104 LYS HG3 H 1.183 . 2
1105 1180 104 LYS HD2 H 1.789 . 2
1106 1180 104 LYS HD3 H 1.640 . 2
1107 1180 104 LYS HE2 H 2.830 . 2
1108 1180 104 LYS CA C 58.160 . 1
1109 1180 104 LYS CB C 31.173 . 1
1110 1180 104 LYS CG C 24.379 . 1
1111 1180 104 LYS CD C 27.618 . 1
1112 1180 104 LYS CE C 41.773 . 1
1113 1180 104 LYS N N 122.600 . 1
1114 1181 105 LEU H H 7.998 . 1
1115 1181 105 LEU HA H 3.609 . 1
1116 1181 105 LEU HB2 H 1.451 . 1
1117 1181 105 LEU HB3 H 1.085 . 1
1118 1181 105 LEU HG H 1.553 . 1
1119 1181 105 LEU HD1 H 0.297 . 1
1120 1181 105 LEU HD2 H 0.507 . 1
1121 1181 105 LEU CA C 57.717 . 1
1122 1181 105 LEU CB C 41.899 . 1
1123 1181 105 LEU CG C 26.665 . 1
1124 1181 105 LEU CD1 C 26.188 . 1
1125 1181 105 LEU CD2 C 23.635 . .
1126 1181 105 LEU N N 118.813 . 1
1127 1182 106 ALA H H 7.943 . 1
1128 1182 106 ALA HA H 3.374 . 1
1129 1182 106 ALA HB H 0.873 . 1
1130 1182 106 ALA CA C 54.821 . 1
1131 1182 106 ALA CB C 17.768 . 1
1132 1182 106 ALA N N 120.532 . 1
1133 1183 107 GLU H H 7.468 . 1
1134 1183 107 GLU HA H 4.106 . 1
1135 1183 107 GLU HB2 H 2.234 . 1
1136 1183 107 GLU HG2 H 2.473 . 1
1137 1183 107 GLU HG3 H 2.195 . 2
1138 1183 107 GLU CA C 59.636 . 1
1139 1183 107 GLU CB C 29.716 . 1
1140 1183 107 GLU CG C 36.444 . 1
1141 1183 107 GLU N N 119.060 . 1
1142 1184 108 VAL H H 7.774 . 1
1143 1184 108 VAL HA H 3.621 . 1
1144 1184 108 VAL HB H 2.135 . 1
1145 1184 108 VAL HG1 H 0.948 . 1
1146 1184 108 VAL HG2 H 0.857 . 1
1147 1184 108 VAL CA C 65.950 . 1
1148 1184 108 VAL CB C 31.833 . 1
1149 1184 108 VAL CG1 C 22.152 . 1
1150 1184 108 VAL CG2 C 21.222 . .
1151 1184 108 VAL N N 120.385 . 1
1152 1185 109 PHE H H 9.059 . 1
1153 1185 109 PHE HA H 3.999 . 1
1154 1185 109 PHE HB2 H 3.307 . 1
1155 1185 109 PHE HB3 H 3.017 . 1
1156 1185 109 PHE HD1 H 7.003 . 1
1157 1185 109 PHE HE1 H 7.175 . 1
1158 1185 109 PHE HZ H 6.835 . 1
1159 1185 109 PHE CA C 62.421 . 1
1160 1185 109 PHE CB C 39.478 . 1
1161 1185 109 PHE CD1 C 128.770 . 3
1162 1185 109 PHE CE1 C 128.060 . 3
1163 1185 109 PHE CZ C 126.736 . 1
1164 1185 109 PHE N N 119.241 . 1
1165 1186 110 GLU H H 8.534 . 1
1166 1186 110 GLU HA H 4.006 . 1
1167 1186 110 GLU HB2 H 2.364 . 1
1168 1186 110 GLU HB3 H 2.156 . 1
1169 1186 110 GLU HG2 H 2.813 . 1
1170 1186 110 GLU HG3 H 2.502 . 2
1171 1186 110 GLU CA C 59.586 . 1
1172 1186 110 GLU CB C 30.208 . 1
1173 1186 110 GLU CG C 37.097 . 1
1174 1186 110 GLU N N 116.373 . 1
1175 1187 111 GLN H H 7.322 . 1
1176 1187 111 GLN HA H 4.082 . 1
1177 1187 111 GLN HB2 H 2.270 . 1
1178 1187 111 GLN HB3 H 2.172 . 1
1179 1187 111 GLN HG2 H 2.501 . 1
1180 1187 111 GLN HG3 H 2.409 . 1
1181 1187 111 GLN HE21 H 7.701 . .
1182 1187 111 GLN HE22 H 7.059 . .
1183 1187 111 GLN CA C 57.718 . 1
1184 1187 111 GLN CB C 28.923 . 1
1185 1187 111 GLN CG C 33.680 . 1
1186 1187 111 GLN N N 115.133 . 1
1187 1188 112 GLU H H 7.912 . 1
1188 1188 112 GLU HA H 4.097 . 1
1189 1188 112 GLU HB2 H 1.998 . 1
1190 1188 112 GLU HB3 H 1.732 . 1
1191 1188 112 GLU HG2 H 2.475 . .
1192 1188 112 GLU HG3 H 2.007 . 1
1193 1188 112 GLU CA C 57.438 . 1
1194 1188 112 GLU CB C 29.718 . 1
1195 1188 112 GLU CG C 35.657 . 1
1196 1188 112 GLU N N 116.602 . 1
1197 1189 113 ILE H H 8.813 . 1
1198 1189 113 ILE HA H 4.083 . 1
1199 1189 113 ILE HB H 0.674 . 1
1200 1189 113 ILE HG12 H 1.230 . 1
1201 1189 113 ILE HG2 H 0.680 . .
1202 1189 113 ILE HD1 H 0.877 . 1
1203 1189 113 ILE CA C 59.156 . 1
1204 1189 113 ILE CB C 38.497 . 1
1205 1189 113 ILE CG1 C 29.261 . 2
1206 1189 113 ILE CG2 C 20.119 . 1
1207 1189 113 ILE CD1 C 14.104 . 1
1208 1189 113 ILE N N 117.690 . 1
1209 1190 114 ASP H H 6.930 . 1
1210 1190 114 ASP HA H 4.524 . 1
1211 1190 114 ASP HB2 H 2.824 . .
1212 1190 114 ASP HB3 H 2.683 . 1
1213 1190 114 ASP CA C 59.156 . 1
1214 1190 114 ASP CB C 38.991 . 1
1215 1190 114 ASP N N 122.612 . 1
1216 1191 115 PRO HA H 4.259 . 1
1217 1191 115 PRO HB2 H 2.266 . 1
1218 1191 115 PRO HB3 H 1.852 . .
1219 1191 115 PRO HG2 H 2.038 . .
1220 1191 115 PRO HD2 H 3.767 . 1
1221 1191 115 PRO HD3 H 3.513 . 1
1222 1191 115 PRO CA C 65.506 . 1
1223 1191 115 PRO CB C 30.868 . 1
1224 1191 115 PRO CG C 28.291 . 1
1225 1191 115 PRO CD C 50.145 . 1
1226 1192 116 VAL H H 6.540 . 1
1227 1192 116 VAL HA H 3.675 . 1
1228 1192 116 VAL HB H 2.050 . 1
1229 1192 116 VAL HG1 H 1.034 . .
1230 1192 116 VAL HG2 H 0.770 . 1
1231 1192 116 VAL CA C 65.683 . 1
1232 1192 116 VAL CB C 31.820 . 1
1233 1192 116 VAL CG1 C 22.694 . .
1234 1192 116 VAL CG2 C 21.289 . .
1235 1192 116 VAL N N 117.994 . 1
1236 1193 117 MET H H 8.437 . 1
1237 1193 117 MET HA H 4.319 . 1
1238 1193 117 MET HB2 H 2.195 . 1
1239 1193 117 MET HB3 H 1.971 . 2
1240 1193 117 MET HG2 H 2.605 . 2
1241 1193 117 MET HG3 H 2.504 . 1
1242 1193 117 MET HE H 1.520 . 1
1243 1193 117 MET CA C 56.722 . 1
1244 1193 117 MET CB C 29.910 . 1
1245 1193 117 MET CG C 32.981 . 1
1246 1193 117 MET CE C 16.003 . 1
1247 1193 117 MET N N 118.520 . 1
1248 1194 118 GLN H H 8.010 . 1
1249 1194 118 GLN HA H 4.115 . 1
1250 1194 118 GLN HB2 H 2.156 . 2
1251 1194 118 GLN HB3 H 2.057 . 1
1252 1194 118 GLN HG2 H 2.490 . 1
1253 1194 118 GLN HG3 H 2.409 . .
1254 1194 118 GLN HE21 H 7.592 . 1
1255 1194 118 GLN HE22 H 6.778 . 1
1256 1194 118 GLN CA C 58.627 . 1
1257 1194 118 GLN CB C 28.077 . 1
1258 1194 118 GLN CG C 33.876 . 1
1259 1194 118 GLN N N 118.063 . 1
1260 1194 118 GLN NE2 N 112.766 . 1
1261 1195 119 SER H H 7.590 . 1
1262 1195 119 SER HA H 4.432 . 1
1263 1195 119 SER HB2 H 4.032 . 1
1264 1195 119 SER HB3 H 3.980 . 2
1265 1195 119 SER CA C 60.115 . 1
1266 1195 119 SER CB C 63.587 . 1
1267 1195 119 SER N N 113.769 . 1
1268 1196 120 LEU H H 7.575 . 1
1269 1196 120 LEU HA H 4.435 . 1
1270 1196 120 LEU HB2 H 1.775 . .
1271 1196 120 LEU HB3 H 1.625 . .
1272 1196 120 LEU HG H 1.801 . 1
1273 1196 120 LEU HD1 H 0.613 . 1
1274 1196 120 LEU HD2 H 0.616 . 1
1275 1196 120 LEU CA C 55.546 . 1
1276 1196 120 LEU CB C 42.582 . 1
1277 1196 120 LEU CG C 26.265 . 1
1278 1196 120 LEU CD1 C 25.598 . .
1279 1196 120 LEU CD2 C 22.671 . 1
1280 1196 120 LEU N N 121.845 . 1
1281 1197 121 GLY H H 7.586 . 1
1282 1197 121 GLY HA2 H 3.849 . 1
1283 1197 121 GLY HA3 H 3.783 . 2
1284 1197 121 GLY CA C 46.316 . 1
1285 1197 121 GLY N N 112.591 . 1
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