data_27653
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone 1H, 13C, and 15N Chemical Shift Assignments for the N-terminal Domain of ING5
;
_BMRB_accession_number 27653
_BMRB_flat_file_name bmr27653.str
_Entry_type original
_Submission_date 2018-10-17
_Accession_date 2018-10-17
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Blanco 'Francisco J' . .
2 'Ibanez de Opakua' Alain . .
3 Ormaza Georgina . .
4 Rodriguez 'Jhon Alexander' . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 137
"13C chemical shifts" 209
"15N chemical shifts" 94
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2019-06-18 original BMRB .
stop_
_Original_release_date 2018-10-17
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
The Tumor Suppressor ING5 Is a Dimeric, Bivalent Recognition Molecule of the Histone H3K4me3 Mark.
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 31026448
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Ormaza Georgina . .
2 Rodriguez Jhon A. .
3 'Ibanez de Opakua' Alain . .
4 Merino Nekane . .
5 Villate Maider . .
6 Gorrono Irantzu . .
7 Rabano Miriam . .
8 Palmero Ignacio . .
9 Vilaseca Marta . .
10 Kypta Robert . .
11 Vivanco Maria . .
12 Rojas Adriana L. .
13 Blanco Francisco J. .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_name_full 'Journal of molecular biology'
_Journal_volume 431
_Journal_issue 12
_Journal_ISSN 1089-8638
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 2298
_Page_last 2319
_Year 2019
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'ING5 Nterminal'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'ING5 Nterminal, subunit 1' $ING5_Nterminal
'ING5 Nterminal, subunit 2' $ING5_Nterminal
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_ING5_Nterminal
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common ING5_Nterminal
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 107
_Mol_residue_sequence
;
GAMATAMYLEHYLDSIENLP
CELQRNFQLMRELDQRTEDK
KAEIDILAAEYISTVKTLSP
DQRVERLQKIQNAYSKCKEY
SDDKVQLAMQTYEMVDKHIR
RLDADLA
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -1 GLY 2 0 ALA 3 1 MET 4 2 ALA 5 3 THR
6 4 ALA 7 5 MET 8 6 TYR 9 7 LEU 10 8 GLU
11 9 HIS 12 10 TYR 13 11 LEU 14 12 ASP 15 13 SER
16 14 ILE 17 15 GLU 18 16 ASN 19 17 LEU 20 18 PRO
21 19 CYS 22 20 GLU 23 21 LEU 24 22 GLN 25 23 ARG
26 24 ASN 27 25 PHE 28 26 GLN 29 27 LEU 30 28 MET
31 29 ARG 32 30 GLU 33 31 LEU 34 32 ASP 35 33 GLN
36 34 ARG 37 35 THR 38 36 GLU 39 37 ASP 40 38 LYS
41 39 LYS 42 40 ALA 43 41 GLU 44 42 ILE 45 43 ASP
46 44 ILE 47 45 LEU 48 46 ALA 49 47 ALA 50 48 GLU
51 49 TYR 52 50 ILE 53 51 SER 54 52 THR 55 53 VAL
56 54 LYS 57 55 THR 58 56 LEU 59 57 SER 60 58 PRO
61 59 ASP 62 60 GLN 63 61 ARG 64 62 VAL 65 63 GLU
66 64 ARG 67 65 LEU 68 66 GLN 69 67 LYS 70 68 ILE
71 69 GLN 72 70 ASN 73 71 ALA 74 72 TYR 75 73 SER
76 74 LYS 77 75 CYS 78 76 LYS 79 77 GLU 80 78 TYR
81 79 SER 82 80 ASP 83 81 ASP 84 82 LYS 85 83 VAL
86 84 GLN 87 85 LEU 88 86 ALA 89 87 MET 90 88 GLN
91 89 THR 92 90 TYR 93 91 GLU 94 92 MET 95 93 VAL
96 94 ASP 97 95 LYS 98 96 HIS 99 97 ILE 100 98 ARG
101 99 ARG 102 100 LEU 103 101 ASP 104 102 ALA 105 103 ASP
106 104 LEU 107 105 ALA
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$ING5_Nterminal Human 9606 Eukaryota Metazoa Homo sapiens
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
$ING5_Nterminal 'recombinant technology' . Escherichia coli . pet11d
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
$ING5_Nterminal 364 mM '[U-99% 13C; U-99% 15N]'
MOPS 50 mM 'natural abundance'
DTT 1 mM 'natural abundance'
'sodium azide' 0.01 '% w/v' 'natural abundance'
DSS 25 uM 'natural abundance'
D2O 5 '% v/v' '[U-100% 2H]'
'Protease inhibitors' 1 tablet/100mL 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
'peak picking'
stop_
_Details .
save_
save_MARS
_Saveframe_category software
_Name MARS
_Version .
loop_
_Vendor
_Address
_Electronic_address
Zweckstetter . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_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_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HN(CA)CO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_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_HN(CO)CA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_3D_HNCACB_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HN(CO)CACB_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CACB'
_Sample_label $sample_1
save_
save_3D_HN(CA)HA_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)HA'
_Sample_label $sample_1
save_
save_3D_HN(COCA)HA_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(COCA)HA'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.25 . pH
pressure 1 . atm
temperature 298 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0 internal direct . . . 1
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$TOPSPIN
$SPARKY
$MARS
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCO'
'3D HN(CA)CO'
'3D HNCA'
'3D HN(CO)CA'
'3D HNCACB'
'3D HN(CO)CACB'
'3D HN(CA)HA'
'3D HN(COCA)HA'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'ING5 Nterminal, subunit 1'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 0 2 ALA HA H 4.266 0.01 1
2 0 2 ALA C C 177.87 0.05 1
3 0 2 ALA CA C 52.746 0.1 1
4 1 3 MET H H 8.507 0.01 1
5 1 3 MET HA H 4.367 0.01 1
6 1 3 MET C C 176.227 0.05 1
7 1 3 MET CA C 55.593 0.1 1
8 1 3 MET CB C 33.014 0.1 1
9 1 3 MET N N 119.722 0.05 1
10 2 4 ALA H H 8.406 0.01 1
11 2 4 ALA HA H 4.264 0.01 1
12 2 4 ALA C C 177.989 0.05 1
13 2 4 ALA CA C 52.966 0.1 1
14 2 4 ALA CB C 19.366 0.1 1
15 2 4 ALA N N 125.385 0.05 1
16 3 5 THR H H 8.028 0.01 1
17 3 5 THR HA H 4.164 0.01 1
18 3 5 THR C C 174.464 0.05 1
19 3 5 THR CA C 62.217 0.1 1
20 3 5 THR CB C 69.668 0.1 1
21 3 5 THR N N 112.689 0.05 1
22 4 6 ALA H H 8.211 0.01 1
23 4 6 ALA HA H 4.189 0.01 1
24 4 6 ALA C C 177.529 0.05 1
25 4 6 ALA CA C 52.871 0.1 1
26 4 6 ALA CB C 19.101 0.1 1
27 4 6 ALA N N 125.382 0.05 1
28 5 7 MET H H 8.27 0.01 1
29 5 7 MET C C 177.802 0.05 1
30 5 7 MET CA C 55.989 0.1 1
31 5 7 MET N N 118.826 0.05 1
32 6 8 TYR H H 7.914 0.01 9
33 6 8 TYR CA C 57.972 0.1 9
34 6 8 TYR N N 117.725 0.05 9
35 10 12 TYR C C 177.411 0.05 1
36 11 13 LEU H H 8.001 0.01 1
37 11 13 LEU C C 177.86 0.05 1
38 11 13 LEU CA C 56.937 0.1 1
39 11 13 LEU N N 119.75 0.05 1
40 12 14 ASP H H 7.858 0.01 1
41 12 14 ASP CA C 55.879 0.1 1
42 12 14 ASP N N 117.756 0.05 1
43 16 18 ASN C C 174.793 0.05 9
44 16 18 ASN CA C 53.252 0.1 9
45 17 19 LEU H H 7.954 0.01 9
46 17 19 LEU CA C 53.216 0.1 9
47 17 19 LEU N N 121.754 0.05 9
48 19 21 CYS C C 176.787 0.05 1
49 20 22 GLU H H 9.645 0.01 1
50 20 22 GLU C C 178.323 0.05 1
51 20 22 GLU CA C 59.843 0.1 1
52 20 22 GLU N N 120.197 0.05 1
53 21 23 LEU H H 7.094 0.01 1
54 21 23 LEU C C 177.965 0.05 1
55 21 23 LEU CA C 57.36 0.1 1
56 21 23 LEU N N 118.221 0.05 1
57 22 24 GLN H H 7.91 0.01 1
58 22 24 GLN C C 178.866 0.05 1
59 22 24 GLN CA C 60.049 0.1 1
60 22 24 GLN N N 118.465 0.05 1
61 23 25 ARG H H 8.148 0.01 1
62 23 25 ARG HA H 4.025 0.01 1
63 23 25 ARG C C 178.34 0.05 1
64 23 25 ARG CA C 58.895 0.1 1
65 23 25 ARG N N 118.421 0.05 1
66 24 26 ASN H H 7.572 0.01 1
67 24 26 ASN HA H 4.241 0.01 1
68 24 26 ASN CA C 56.255 0.1 1
69 24 26 ASN N N 120.293 0.05 1
70 25 27 PHE H H 8.185 0.01 1
71 25 27 PHE C C 178.845 0.05 1
72 25 27 PHE CA C 59.039 0.1 1
73 25 27 PHE N N 118.6 0.05 1
74 26 28 GLN H H 8.016 0.01 1
75 26 28 GLN C C 178.788 0.05 1
76 26 28 GLN CA C 59.105 0.1 1
77 26 28 GLN N N 120.151 0.05 1
78 27 29 LEU H H 8.464 0.01 1
79 27 29 LEU C C 180.021 0.05 1
80 27 29 LEU CA C 57.768 0.1 1
81 27 29 LEU N N 121.17 0.05 1
82 28 30 MET H H 8.412 0.01 1
83 28 30 MET C C 177.413 0.05 1
84 28 30 MET CA C 60.998 0.1 1
85 28 30 MET N N 119.197 0.05 1
86 29 31 ARG H H 7.586 0.01 1
87 29 31 ARG C C 179.777 0.05 1
88 29 31 ARG CA C 59.547 0.1 1
89 29 31 ARG N N 118.477 0.05 1
90 30 32 GLU H H 8.185 0.01 1
91 30 32 GLU HA H 3.984 0.01 1
92 30 32 GLU C C 179.364 0.05 1
93 30 32 GLU CA C 59.545 0.1 1
94 30 32 GLU N N 121.318 0.05 1
95 31 33 LEU H H 8.376 0.01 1
96 31 33 LEU C C 180.42 0.05 1
97 31 33 LEU CA C 58.325 0.1 1
98 31 33 LEU N N 121.087 0.05 1
99 32 34 ASP H H 8.262 0.01 1
100 32 34 ASP HA H 4.388 0.01 1
101 32 34 ASP C C 178.589 0.05 1
102 32 34 ASP CA C 57.973 0.1 1
103 32 34 ASP N N 122.728 0.05 1
104 33 35 GLN H H 8.007 0.01 1
105 33 35 GLN HA H 3.918 0.01 1
106 33 35 GLN C C 178.133 0.05 1
107 33 35 GLN CA C 58.89 0.1 1
108 33 35 GLN N N 121.535 0.05 1
109 34 36 ARG H H 8.39 0.01 1
110 34 36 ARG HA H 3.972 0.01 1
111 34 36 ARG C C 180.058 0.05 1
112 34 36 ARG CA C 59.471 0.1 1
113 34 36 ARG N N 118.866 0.05 1
114 35 37 THR H H 8.194 0.01 1
115 35 37 THR C C 175.863 0.05 1
116 35 37 THR CA C 67.933 0.1 1
117 35 37 THR N N 117.191 0.05 1
118 36 38 GLU H H 8.227 0.01 1
119 36 38 GLU HA H 3.938 0.01 1
120 36 38 GLU C C 179.949 0.05 1
121 36 38 GLU CA C 59.625 0.1 1
122 36 38 GLU N N 122.615 0.05 1
123 37 39 ASP H H 8.649 0.01 1
124 37 39 ASP HA H 4.408 0.01 1
125 37 39 ASP C C 179.269 0.05 1
126 37 39 ASP CA C 57.382 0.1 1
127 37 39 ASP CB C 40.092 0.1 1
128 37 39 ASP N N 120.809 0.05 1
129 38 40 LYS H H 8.079 0.01 1
130 38 40 LYS C C 178.248 0.05 1
131 38 40 LYS CA C 56.569 0.1 1
132 38 40 LYS N N 121.852 0.05 1
133 39 41 LYS H H 8.635 0.01 1
134 39 41 LYS C C 178.751 0.05 1
135 39 41 LYS CA C 60.519 0.1 1
136 39 41 LYS N N 120.54 0.05 1
137 40 42 ALA H H 7.89 0.01 1
138 40 42 ALA HA H 4.185 0.01 1
139 40 42 ALA C C 180.412 0.05 1
140 40 42 ALA CA C 55.038 0.1 1
141 40 42 ALA N N 121.327 0.05 1
142 41 43 GLU H H 7.732 0.01 1
143 41 43 GLU C C 179.027 0.05 1
144 41 43 GLU CA C 59.454 0.1 1
145 41 43 GLU N N 119.85 0.05 1
146 42 44 ILE H H 8.347 0.01 1
147 42 44 ILE C C 176.75 0.05 1
148 42 44 ILE CA C 66.504 0.1 1
149 42 44 ILE N N 120.289 0.05 1
150 43 45 ASP H H 7.823 0.01 1
151 43 45 ASP HA H 4.432 0.01 1
152 43 45 ASP C C 179.51 0.05 1
153 43 45 ASP CA C 57.981 0.1 1
154 43 45 ASP N N 118.769 0.05 1
155 44 46 ILE H H 7.546 0.01 1
156 44 46 ILE CA C 64.825 0.1 1
157 44 46 ILE N N 121.102 0.05 1
158 45 47 LEU H H 8.449 0.01 1
159 45 47 LEU HA H 4.052 0.01 1
160 45 47 LEU C C 180.839 0.05 1
161 45 47 LEU CA C 57.768 0.1 1
162 45 47 LEU N N 121.105 0.05 1
163 46 48 ALA H H 9.487 0.01 1
164 46 48 ALA HA H 3.871 0.01 1
165 46 48 ALA C C 179.027 0.05 1
166 46 48 ALA CA C 55.685 0.1 1
167 46 48 ALA N N 123.241 0.05 1
168 47 49 ALA H H 7.732 0.01 1
169 47 49 ALA C C 180.843 0.05 1
170 47 49 ALA CA C 55.351 0.1 1
171 47 49 ALA N N 119.85 0.05 1
172 48 50 GLU H H 8.134 0.01 1
173 48 50 GLU HA H 3.813 0.01 1
174 48 50 GLU C C 178.866 0.05 1
175 48 50 GLU CA C 59.687 0.1 1
176 48 50 GLU N N 119.326 0.05 1
177 49 51 TYR H H 8.345 0.01 1
178 49 51 TYR C C 176.417 0.05 1
179 49 51 TYR CA C 61.832 0.1 1
180 49 51 TYR N N 121.59 0.05 1
181 50 52 ILE H H 8.581 0.01 1
182 50 52 ILE C C 177.418 0.05 1
183 50 52 ILE CA C 63.793 0.1 1
184 50 52 ILE N N 117.49 0.05 1
185 51 53 SER H H 7.819 0.01 1
186 51 53 SER HA H 4.176 0.01 1
187 51 53 SER C C 176.083 0.05 1
188 51 53 SER CA C 60.955 0.1 1
189 51 53 SER CB C 63.974 0.1 1
190 51 53 SER N N 111.06 0.05 1
191 52 54 THR H H 7.519 0.01 1
192 52 54 THR C C 176.927 0.05 1
193 52 54 THR CA C 62.033 0.1 1
194 52 54 THR CB C 69.86 0.1 1
195 52 54 THR N N 109.157 0.05 1
196 53 55 VAL H H 7.793 0.01 1
197 53 55 VAL C C 175.743 0.05 1
198 53 55 VAL CA C 65.864 0.1 1
199 53 55 VAL N N 123.365 0.05 1
200 54 56 LYS H H 8.427 0.01 1
201 54 56 LYS C C 177.504 0.05 1
202 54 56 LYS CA C 59.21 0.1 1
203 54 56 LYS N N 119.116 0.05 1
204 55 57 THR H H 8.1 0.01 1
205 55 57 THR HA H 4.382 0.01 1
206 55 57 THR C C 174.793 0.05 1
207 55 57 THR CA C 61.534 0.1 1
208 55 57 THR CB C 69.86 0.1 1
209 55 57 THR N N 107.341 0.05 1
210 56 58 LEU H H 7.25 0.01 1
211 56 58 LEU HA H 4.484 0.01 1
212 56 58 LEU C C 177.292 0.05 1
213 56 58 LEU CA C 54.216 0.1 1
214 56 58 LEU N N 122.416 0.05 1
215 57 59 SER H H 8.915 0.01 1
216 57 59 SER CA C 56.808 0.1 1
217 57 59 SER N N 119.545 0.05 1
218 58 60 PRO C C 178.843 0.05 1
219 58 60 PRO CA C 66.877 0.1 1
220 59 61 ASP H H 8.442 0.01 1
221 59 61 ASP HA H 4.334 0.01 1
222 59 61 ASP C C 179.252 0.05 1
223 59 61 ASP CA C 57.053 0.1 1
224 59 61 ASP CB C 40.072 0.1 1
225 59 61 ASP N N 114.703 0.05 1
226 60 62 GLN H H 7.709 0.01 1
227 60 62 GLN HA H 4.127 0.01 1
228 60 62 GLN C C 179.226 0.05 1
229 60 62 GLN CA C 58.402 0.1 1
230 60 62 GLN N N 120.311 0.05 1
231 61 63 ARG H H 8.567 0.01 1
232 61 63 ARG C C 178.198 0.05 1
233 61 63 ARG CA C 61.165 0.1 1
234 61 63 ARG N N 120.481 0.05 1
235 62 64 VAL H H 7.717 0.01 1
236 62 64 VAL HA H 3.581 0.01 1
237 62 64 VAL C C 178.38 0.05 1
238 62 64 VAL CA C 66.664 0.1 1
239 62 64 VAL CB C 32.028 0.1 1
240 62 64 VAL N N 118.139 0.05 1
241 63 65 GLU H H 7.642 0.01 1
242 63 65 GLU HA H 3.98 0.01 1
243 63 65 GLU C C 179.488 0.05 1
244 63 65 GLU CA C 59.67 0.1 1
245 63 65 GLU N N 119.926 0.05 1
246 64 66 ARG H H 8.108 0.01 1
247 64 66 ARG HA H 3.958 0.01 1
248 64 66 ARG C C 179.385 0.05 1
249 64 66 ARG CA C 58.51 0.1 1
250 64 66 ARG N N 117.608 0.05 1
251 65 67 LEU H H 8.18 0.01 1
252 65 67 LEU C C 179.104 0.05 1
253 65 67 LEU CA C 58.013 0.1 1
254 65 67 LEU N N 120.193 0.05 1
255 66 68 GLN H H 8.308 0.01 1
256 66 68 GLN HA H 3.964 0.01 1
257 66 68 GLN C C 178.694 0.05 1
258 66 68 GLN CA C 58.847 0.1 1
259 66 68 GLN CB C 28.005 0.1 1
260 66 68 GLN N N 118.996 0.05 1
261 67 69 LYS H H 7.751 0.01 1
262 67 69 LYS HA H 3.963 0.01 1
263 67 69 LYS C C 180.296 0.05 1
264 67 69 LYS CA C 59.899 0.1 1
265 67 69 LYS N N 119.23 0.05 1
266 68 70 ILE H H 7.769 0.01 1
267 68 70 ILE C C 177.176 0.05 1
268 68 70 ILE CA C 66.492 0.1 1
269 68 70 ILE N N 121.821 0.05 1
270 69 71 GLN H H 8.62 0.01 1
271 69 71 GLN HA H 3.756 0.01 1
272 69 71 GLN C C 179.164 0.05 1
273 69 71 GLN CA C 60.13 0.1 1
274 69 71 GLN N N 120.358 0.05 1
275 70 72 ASN H H 8.751 0.01 1
276 70 72 ASN HA H 4.369 0.01 1
277 70 72 ASN C C 177.689 0.05 1
278 70 72 ASN CA C 55.89 0.1 1
279 70 72 ASN CB C 38.154 0.1 1
280 70 72 ASN N N 117.845 0.05 1
281 71 73 ALA H H 7.864 0.01 1
282 71 73 ALA HA H 4.22 0.01 1
283 71 73 ALA C C 180.38 0.05 1
284 71 73 ALA CA C 55.517 0.1 1
285 71 73 ALA N N 124.304 0.05 1
286 72 74 TYR H H 8.537 0.01 1
287 72 74 TYR C C 179.758 0.05 1
288 72 74 TYR CA C 63.695 0.1 1
289 72 74 TYR N N 119.139 0.05 1
290 73 75 SER H H 8.645 0.01 1
291 73 75 SER C C 177.113 0.05 1
292 73 75 SER CA C 62.44 0.1 1
293 73 75 SER N N 116.626 0.05 1
294 74 76 LYS H H 7.964 0.01 1
295 74 76 LYS C C 176.917 0.05 1
296 74 76 LYS CA C 57.082 0.1 1
297 74 76 LYS N N 122.977 0.05 1
298 75 77 CYS H H 8.014 0.01 1
299 75 77 CYS C C 177.218 0.05 1
300 75 77 CYS CA C 64.365 0.1 1
301 75 77 CYS N N 116.998 0.05 1
302 76 78 LYS H H 8.013 0.01 1
303 76 78 LYS HA H 4.055 0.01 1
304 76 78 LYS C C 177.511 0.05 1
305 76 78 LYS CA C 59.524 0.1 1
306 76 78 LYS N N 120.684 0.05 1
307 77 79 GLU H H 7.673 0.01 1
308 77 79 GLU HA H 3.992 0.01 1
309 77 79 GLU C C 179.203 0.05 1
310 77 79 GLU CA C 59.634 0.1 1
311 77 79 GLU N N 120.867 0.05 1
312 78 80 TYR H H 8.092 0.01 1
313 78 80 TYR C C 179.008 0.05 1
314 78 80 TYR CA C 58.093 0.1 1
315 78 80 TYR N N 117.044 0.05 1
316 79 81 SER H H 8.273 0.01 1
317 79 81 SER C C 177.089 0.05 1
318 79 81 SER CA C 61.867 0.1 1
319 79 81 SER N N 114.606 0.05 1
320 80 82 ASP H H 8.872 0.01 1
321 80 82 ASP C C 179.585 0.05 1
322 80 82 ASP CA C 57.565 0.1 1
323 80 82 ASP N N 123.905 0.05 1
324 81 83 ASP H H 8.504 0.01 1
325 81 83 ASP HA H 4.372 0.01 1
326 81 83 ASP C C 179.131 0.05 1
327 81 83 ASP CA C 57.385 0.1 1
328 81 83 ASP CB C 40.086 0.1 1
329 81 83 ASP N N 122.184 0.05 1
330 82 84 LYS H H 8.479 0.01 1
331 82 84 LYS C C 177.878 0.05 1
332 82 84 LYS CA C 60.063 0.1 1
333 82 84 LYS N N 121.999 0.05 1
334 83 85 VAL H H 8.067 0.01 1
335 83 85 VAL C C 177.404 0.05 1
336 83 85 VAL CA C 67.112 0.1 1
337 83 85 VAL N N 119.004 0.05 1
338 84 86 GLN H H 7.634 0.01 1
339 84 86 GLN C C 178.914 0.05 1
340 84 86 GLN CA C 59.03 0.1 1
341 84 86 GLN N N 117.879 0.05 1
342 85 87 LEU H H 8.004 0.01 1
343 85 87 LEU HA H 3.982 0.01 1
344 85 87 LEU C C 180.235 0.05 1
345 85 87 LEU CA C 57.409 0.1 1
346 85 87 LEU N N 120.104 0.05 1
347 86 88 ALA H H 9 0.01 1
348 86 88 ALA C C 178.744 0.05 1
349 86 88 ALA CA C 56.015 0.1 1
350 86 88 ALA N N 126.405 0.05 1
351 87 89 MET H H 8.143 0.01 1
352 87 89 MET C C 179.965 0.05 1
353 87 89 MET CA C 57.699 0.1 1
354 87 89 MET N N 114.696 0.05 1
355 88 90 GLN H H 7.852 0.01 1
356 88 90 GLN C C 178.946 0.05 1
357 88 90 GLN CA C 58.778 0.1 1
358 88 90 GLN N N 117.983 0.05 1
359 89 91 THR H H 8.313 0.01 1
360 89 91 THR HA H 4.103 0.01 1
361 89 91 THR C C 176.42 0.05 1
362 89 91 THR CA C 67.893 0.1 1
363 89 91 THR N N 118.261 0.05 1
364 90 92 TYR H H 8.582 0.01 1
365 90 92 TYR C C 178.755 0.05 1
366 90 92 TYR CA C 63.138 0.1 1
367 90 92 TYR N N 120.377 0.05 1
368 91 93 GLU H H 7.802 0.01 1
369 91 93 GLU C C 178.693 0.05 1
370 91 93 GLU CA C 59.998 0.1 1
371 91 93 GLU N N 119.391 0.05 1
372 92 94 MET H H 8.08 0.01 1
373 92 94 MET C C 179.456 0.05 1
374 92 94 MET CA C 59.177 0.1 1
375 92 94 MET N N 118.983 0.05 1
376 93 95 VAL H H 8.535 0.01 1
377 93 95 VAL C C 176.755 0.05 1
378 93 95 VAL CA C 67.416 0.1 1
379 93 95 VAL N N 121.346 0.05 1
380 94 96 ASP H H 7.836 0.01 1
381 94 96 ASP C C 177.46 0.05 1
382 94 96 ASP CA C 58.088 0.1 1
383 94 96 ASP N N 119.474 0.05 1
384 95 97 LYS H H 7.925 0.01 1
385 95 97 LYS C C 178.718 0.05 1
386 95 97 LYS CA C 59.465 0.1 1
387 95 97 LYS N N 116.337 0.05 1
388 96 98 HIS H H 8.134 0.01 1
389 96 98 HIS C C 177.197 0.05 1
390 96 98 HIS CA C 59.477 0.1 1
391 96 98 HIS N N 118.782 0.05 1
392 97 99 ILE H H 8.283 0.01 1
393 97 99 ILE C C 177.841 0.05 1
394 97 99 ILE CA C 63.025 0.1 1
395 97 99 ILE N N 119.072 0.05 1
396 98 100 ARG H H 8.088 0.01 1
397 98 100 ARG C C 177.751 0.05 1
398 98 100 ARG CA C 58.135 0.1 1
399 98 100 ARG N N 119.73 0.05 1
400 99 101 ARG H H 7.787 0.01 1
401 99 101 ARG HA H 4.12 0.01 1
402 99 101 ARG C C 177.413 0.05 1
403 99 101 ARG CA C 57.685 0.1 1
404 99 101 ARG N N 120.024 0.05 1
405 100 102 LEU H H 8.007 0.01 1
406 100 102 LEU HA H 4.141 0.01 1
407 100 102 LEU C C 178.112 0.05 1
408 100 102 LEU CA C 56.102 0.1 1
409 100 102 LEU CB C 41.932 0.1 1
410 100 102 LEU N N 121.136 0.05 1
411 101 103 ASP H H 8.063 0.01 1
412 101 103 ASP HA H 4.47 0.01 1
413 101 103 ASP C C 176.579 0.05 1
414 101 103 ASP CA C 55.018 0.1 1
415 101 103 ASP CB C 41.007 0.1 1
416 101 103 ASP N N 119.736 0.05 1
417 102 104 ALA H H 7.947 0.01 1
418 102 104 ALA HA H 4.197 0.01 1
419 102 104 ALA C C 177.693 0.05 1
420 102 104 ALA CA C 53.052 0.1 1
421 102 104 ALA CB C 19.387 0.1 1
422 102 104 ALA N N 122.92 0.05 1
423 103 105 ASP H H 8.223 0.01 1
424 103 105 ASP HA H 4.525 0.01 1
425 103 105 ASP C C 176.235 0.05 1
426 103 105 ASP CA C 54.744 0.1 1
427 103 105 ASP CB C 40.985 0.1 1
428 103 105 ASP N N 118.623 0.05 1
429 104 106 LEU H H 7.935 0.01 1
430 104 106 LEU HA H 4.286 0.01 1
431 104 106 LEU C C 176.183 0.05 1
432 104 106 LEU CA C 55.03 0.1 1
433 104 106 LEU CB C 42.413 0.1 1
434 104 106 LEU N N 121.891 0.05 1
435 105 107 ALA H H 7.782 0.01 1
436 105 107 ALA HA H 4.034 0.01 1
437 105 107 ALA C C 182.549 0.05 1
438 105 107 ALA CA C 53.933 0.1 1
439 105 107 ALA CB C 20.32 0.1 1
440 105 107 ALA N N 130.138 0.05 1
stop_
save_