data_26784
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Ubiquitin Variant in complex with APC11
;
_BMRB_accession_number 26784
_BMRB_flat_file_name bmr26784.str
_Entry_type original
_Submission_date 2016-04-21
_Accession_date 2016-04-21
_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 Grace Christy R. .
2 Brown Nicholas G. .
3 Schulamn Brenda A. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 75
"13C chemical shifts" 220
"15N chemical shifts" 75
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2018-06-19 original BMRB .
stop_
loop_
_Related_BMRB_accession_number
_Relationship
26783 UBv
26785 APC11-UBv
stop_
_Original_release_date 2016-04-22
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 27259151
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Brown Nicholas G. .
2 VanderLinden Ryan . .
3 Watson Edmond R. .
4 Weissmann Florian . .
5 Ordureau Alban . .
6 Wu Kuen-Phon P. .
7 Zhang Wei . .
8 Yu Shanshan . .
9 Mercredi Peter Y. .
10 Harrison Joseph S. .
11 Davidson Iain F. .
12 Qiao Renping . .
13 Lu Ying . .
14 Dube Prakash . .
15 Brunner Michael R. .
16 Grace Christy . .
17 Miller Darcie J. .
18 Haselbach David . .
19 Jarvis Marc A. .
20 Yamaguchi Masaya . .
21 Yanishevski David . .
22 Petzold Georg . .
23 Sidhu Sachdev S. .
24 Kuhlman Brian . .
25 Kirschner Marc W. .
26 Harper 'J Wade' W. .
27 Peters Jan-Michael M. .
28 Stark Holger . .
29 Schulman Brenda A. .
stop_
_Journal_abbreviation Cell
_Journal_name_full Cell
_Journal_volume 165
_Journal_issue 6
_Journal_ISSN 1097-4172
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 1440
_Page_last 1453
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name UBv-APC11
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
UBv-APC11 $UBv-APC11
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_UBv-APC11
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common UBv-APC11
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 84
_Mol_residue_sequence
;
GSGGSGMQILVKTPRGKTIT
LEVEPSDTIENVKAKIQDKE
GIPPDQQILFFAVKRLEDGR
TLSDYNIQKKSSLLLAMRVP
GKMK
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -5 GLY 2 -4 SER 3 -3 GLY 4 -2 GLY 5 -1 SER
6 0 GLY 7 1 MET 8 2 GLN 9 3 ILE 10 4 LEU
11 5 VAL 12 6 LYS 13 7 THR 14 8 PRO 15 9 ARG
16 10 GLY 17 11 LYS 18 12 THR 19 13 ILE 20 14 THR
21 15 LEU 22 16 GLU 23 17 VAL 24 18 GLU 25 19 PRO
26 20 SER 27 21 ASP 28 22 THR 29 23 ILE 30 24 GLU
31 25 ASN 32 26 VAL 33 27 LYS 34 28 ALA 35 29 LYS
36 30 ILE 37 31 GLN 38 32 ASP 39 33 LYS 40 34 GLU
41 35 GLY 42 36 ILE 43 37 PRO 44 38 PRO 45 39 ASP
46 40 GLN 47 41 GLN 48 42 ILE 49 43 LEU 50 44 PHE
51 45 PHE 52 46 ALA 53 47 VAL 54 48 LYS 55 49 ARG
56 50 LEU 57 51 GLU 58 52 ASP 59 53 GLY 60 54 ARG
61 55 THR 62 56 LEU 63 57 SER 64 58 ASP 65 59 TYR
66 60 ASN 67 61 ILE 68 62 GLN 69 63 LYS 70 64 LYS
71 65 SER 72 66 SER 73 67 LEU 74 68 LEU 75 69 LEU
76 70 ALA 77 71 MET 78 72 ARG 79 73 VAL 80 74 PRO
81 75 GLY 82 76 LYS 83 77 MET 84 78 LYS
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
$UBv-APC11 . . . . . .
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
$UBv-APC11 'recombinant technology' . Escherichia coli . BL21
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
$UBv-APC11 0.1 mM '[U-100% 13C; U-100% 15N]'
APC11 0.1 mM 'natural abundance'
'sodium phosphate' 20 mM 'natural abundance'
DTT 10 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % '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_CARA
_Saveframe_category software
_Name CARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_HNCA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_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
'ionic strength' 100 . mM
pH 7.0 . 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 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000
DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$CARA
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
'3D HNCA'
'3D HNCO'
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 UBv-APC11
_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 4 GLY H H 8.252 0.020 1
2 -2 4 GLY CA C 45.220 0.3 1
3 -2 4 GLY N N 108.985 0.3 1
4 -1 5 SER H H 8.562 0.020 1
5 -1 5 SER CA C 58.520 0.3 1
6 -1 5 SER CB C 64.089 0.3 1
7 -1 5 SER N N 116.120 0.3 1
8 0 6 GLY H H 8.419 0.020 1
9 0 6 GLY C C 173.399 0.3 1
10 0 6 GLY CA C 45.525 0.3 1
11 0 6 GLY N N 110.604 0.3 1
12 1 7 MET H H 8.714 0.020 1
13 1 7 MET CA C 55.574 0.3 1
14 1 7 MET CB C 34.321 0.3 1
15 1 7 MET N N 120.242 0.3 1
16 2 8 GLN H H 7.738 0.020 1
17 2 8 GLN C C 176.157 0.3 1
18 2 8 GLN CA C 54.248 0.3 1
19 2 8 GLN CB C 31.496 0.3 1
20 2 8 GLN N N 121.526 0.3 1
21 3 9 ILE H H 8.547 0.020 1
22 3 9 ILE C C 172.847 0.3 1
23 3 9 ILE CA C 59.814 0.3 1
24 3 9 ILE CB C 41.692 0.3 1
25 3 9 ILE N N 115.084 0.3 1
26 4 10 LEU H H 8.545 0.020 1
27 4 10 LEU C C 176.348 0.3 1
28 4 10 LEU CA C 53.432 0.3 1
29 4 10 LEU CB C 43.429 0.3 1
30 4 10 LEU N N 122.365 0.3 1
31 5 11 VAL H H 9.019 0.020 1
32 5 11 VAL C C 174.750 0.3 1
33 5 11 VAL CA C 60.742 0.3 1
34 5 11 VAL CB C 34.434 0.3 1
35 5 11 VAL N N 120.058 0.3 1
36 6 12 LYS H H 8.804 0.020 1
37 6 12 LYS C C 175.184 0.3 1
38 6 12 LYS CA C 55.949 0.3 1
39 6 12 LYS CB C 32.958 0.3 1
40 6 12 LYS N N 129.758 0.3 1
41 7 13 THR H H 8.228 0.020 1
42 7 13 THR C C 176.870 0.3 1
43 7 13 THR CA C 60.581 0.3 1
44 7 13 THR CB C 68.515 0.3 1
45 7 13 THR N N 115.091 0.3 1
46 8 14 PRO C C 176.659 0.3 1
47 8 14 PRO CA C 65.655 0.3 1
48 8 14 PRO CB C 31.915 0.3 1
49 9 15 ARG H H 7.743 0.020 1
50 9 15 ARG C C 176.546 0.3 1
51 9 15 ARG CA C 56.664 0.3 1
52 9 15 ARG CB C 29.635 0.3 1
53 9 15 ARG N N 111.520 0.3 1
54 10 16 GLY H H 8.091 0.020 1
55 10 16 GLY C C 173.526 0.3 1
56 10 16 GLY CA C 45.152 0.3 1
57 10 16 GLY N N 107.949 0.3 1
58 11 17 LYS H H 6.413 0.020 1
59 11 17 LYS C C 176.485 0.3 1
60 11 17 LYS CA C 54.109 0.3 1
61 11 17 LYS CB C 33.944 0.3 1
62 11 17 LYS N N 117.832 0.3 1
63 12 18 THR H H 8.914 0.020 1
64 12 18 THR C C 174.790 0.3 1
65 12 18 THR CA C 62.590 0.3 1
66 12 18 THR CB C 69.550 0.3 1
67 12 18 THR N N 122.112 0.3 1
68 13 19 ILE H H 9.007 0.020 1
69 13 19 ILE C C 174.158 0.3 1
70 13 19 ILE CA C 59.354 0.3 1
71 13 19 ILE CB C 40.612 0.3 1
72 13 19 ILE N N 122.543 0.3 1
73 14 20 THR H H 8.311 0.020 1
74 14 20 THR C C 173.988 0.3 1
75 14 20 THR CA C 61.160 0.3 1
76 14 20 THR CB C 69.804 0.3 1
77 14 20 THR N N 115.854 0.3 1
78 15 21 LEU H H 8.841 0.020 1
79 15 21 LEU C C 175.175 0.3 1
80 15 21 LEU CA C 52.770 0.3 1
81 15 21 LEU CB C 46.303 0.3 1
82 15 21 LEU N N 124.515 0.3 1
83 16 22 GLU H H 8.286 0.020 1
84 16 22 GLU C C 175.750 0.3 1
85 16 22 GLU CA C 55.983 0.3 1
86 16 22 GLU CB C 29.435 0.3 1
87 16 22 GLU N N 123.263 0.3 1
88 17 23 VAL H H 8.427 0.020 1
89 17 23 VAL C C 173.665 0.3 1
90 17 23 VAL CA C 58.651 0.3 1
91 17 23 VAL CB C 36.360 0.3 1
92 17 23 VAL N N 116.580 0.3 1
93 18 24 GLU H H 8.401 0.020 1
94 18 24 GLU CA C 53.019 0.3 1
95 18 24 GLU CB C 31.110 0.3 1
96 18 24 GLU N N 117.832 0.3 1
97 19 25 PRO C C 175.437 0.3 1
98 19 25 PRO CA C 65.300 0.3 1
99 19 25 PRO CB C 31.692 0.3 1
100 20 26 SER H H 7.005 0.020 1
101 20 26 SER C C 174.560 0.3 1
102 20 26 SER CA C 57.209 0.3 1
103 20 26 SER CB C 63.360 0.3 1
104 20 26 SER N N 103.674 0.3 1
105 21 27 ASP H H 7.959 0.020 1
106 21 27 ASP C C 176.423 0.3 1
107 21 27 ASP CA C 56.012 0.3 1
108 21 27 ASP CB C 40.810 0.3 1
109 21 27 ASP N N 123.877 0.3 1
110 22 28 THR H H 7.771 0.020 1
111 22 28 THR C C 176.670 0.3 1
112 22 28 THR CA C 59.700 0.3 1
113 22 28 THR CB C 71.200 0.3 1
114 22 28 THR N N 109.334 0.3 1
115 23 29 ILE H H 8.416 0.020 1
116 23 29 ILE CA C 62.330 0.3 1
117 23 29 ILE CB C 34.480 0.3 1
118 23 29 ILE N N 121.231 0.3 1
119 24 30 GLU H H 10.168 0.020 1
120 24 30 GLU C C 179.012 0.3 1
121 24 30 GLU CA C 60.683 0.3 1
122 24 30 GLU CB C 28.490 0.3 1
123 24 30 GLU N N 121.319 0.3 1
124 25 31 ASN H H 7.857 0.020 1
125 25 31 ASN C C 178.411 0.3 1
126 25 31 ASN CA C 55.899 0.3 1
127 25 31 ASN CB C 38.148 0.3 1
128 25 31 ASN N N 121.613 0.3 1
129 26 32 VAL H H 8.071 0.020 1
130 26 32 VAL C C 177.850 0.3 1
131 26 32 VAL CA C 67.630 0.3 1
132 26 32 VAL CB C 30.790 0.3 1
133 26 32 VAL N N 122.251 0.3 1
134 27 33 LYS H H 8.563 0.020 1
135 27 33 LYS C C 180.337 0.3 1
136 27 33 LYS CA C 59.210 0.3 1
137 27 33 LYS CB C 33.670 0.3 1
138 27 33 LYS N N 119.233 0.3 1
139 28 34 ALA H H 7.844 0.020 1
140 28 34 ALA C C 180.337 0.3 1
141 28 34 ALA CA C 55.400 0.3 1
142 28 34 ALA CB C 17.720 0.3 1
143 28 34 ALA N N 123.577 0.3 1
144 29 35 LYS H H 7.728 0.020 1
145 29 35 LYS C C 180.250 0.3 1
146 29 35 LYS CA C 59.559 0.3 1
147 29 35 LYS CB C 33.330 0.3 1
148 29 35 LYS N N 120.261 0.3 1
149 30 36 ILE H H 8.374 0.020 1
150 30 36 ILE C C 178.160 0.3 1
151 30 36 ILE CA C 65.894 0.3 1
152 30 36 ILE CB C 36.760 0.3 1
153 30 36 ILE N N 120.959 0.3 1
154 31 37 GLN H H 8.591 0.020 1
155 31 37 GLN C C 178.627 0.3 1
156 31 37 GLN CA C 60.020 0.3 1
157 31 37 GLN CB C 27.690 0.3 1
158 31 37 GLN N N 123.847 0.3 1
159 32 38 ASP H H 7.641 0.020 1
160 32 38 ASP C C 177.055 0.3 1
161 32 38 ASP CA C 57.360 0.3 1
162 32 38 ASP CB C 40.880 0.3 1
163 32 38 ASP N N 119.037 0.3 1
164 33 39 LYS H H 7.324 0.020 1
165 33 39 LYS C C 177.790 0.3 1
166 33 39 LYS CA C 57.822 0.3 1
167 33 39 LYS CB C 33.902 0.3 1
168 33 39 LYS N N 115.521 0.3 1
169 34 40 GLU H H 8.886 0.020 1
170 34 40 GLU C C 178.041 0.3 1
171 34 40 GLU CA C 55.443 0.3 1
172 34 40 GLU CB C 33.352 0.3 1
173 34 40 GLU N N 114.432 0.3 1
174 35 41 GLY H H 8.313 0.020 1
175 35 41 GLY C C 173.870 0.3 1
176 35 41 GLY CA C 46.050 0.3 1
177 35 41 GLY N N 108.553 0.3 1
178 36 42 ILE H H 6.042 0.020 1
179 36 42 ILE CA C 58.159 0.3 1
180 36 42 ILE CB C 40.500 0.3 1
181 36 42 ILE N N 119.730 0.3 1
182 38 44 PRO C C 177.979 0.3 1
183 38 44 PRO CA C 66.140 0.3 1
184 38 44 PRO CB C 32.830 0.3 1
185 39 45 ASP H H 8.441 0.020 1
186 39 45 ASP C C 176.716 0.3 1
187 39 45 ASP CA C 55.506 0.3 1
188 39 45 ASP CB C 39.700 0.3 1
189 39 45 ASP N N 113.407 0.3 1
190 40 46 GLN H H 7.885 0.020 1
191 40 46 GLN C C 174.374 0.3 1
192 40 46 GLN CA C 55.812 0.3 1
193 40 46 GLN CB C 30.080 0.3 1
194 40 46 GLN N N 117.026 0.3 1
195 41 47 GLN H H 7.288 0.020 1
196 41 47 GLN C C 176.623 0.3 1
197 41 47 GLN CA C 56.085 0.3 1
198 41 47 GLN CB C 31.560 0.3 1
199 41 47 GLN N N 118.088 0.3 1
200 42 48 ILE H H 8.762 0.020 1
201 42 48 ILE C C 173.464 0.3 1
202 42 48 ILE CA C 61.466 0.3 1
203 42 48 ILE CB C 39.893 0.3 1
204 42 48 ILE N N 121.423 0.3 1
205 43 49 LEU H H 8.316 0.020 1
206 43 49 LEU C C 174.913 0.3 1
207 43 49 LEU CA C 52.577 0.3 1
208 43 49 LEU CB C 46.650 0.3 1
209 43 49 LEU N N 125.327 0.3 1
210 44 50 PHE H H 9.111 0.020 1
211 44 50 PHE C C 175.653 0.3 1
212 44 50 PHE CA C 55.949 0.3 1
213 44 50 PHE CB C 43.429 0.3 1
214 44 50 PHE N N 116.824 0.3 1
215 45 51 PHE H H 8.838 0.020 1
216 45 51 PHE C C 175.159 0.3 1
217 45 51 PHE CA C 54.688 0.3 1
218 45 51 PHE CB C 41.599 0.3 1
219 45 51 PHE N N 121.354 0.3 1
220 46 52 ALA H H 9.538 0.020 1
221 46 52 ALA C C 176.315 0.3 1
222 46 52 ALA CA C 54.722 0.3 1
223 46 52 ALA CB C 16.360 0.3 1
224 46 52 ALA N N 131.951 0.3 1
225 47 53 VAL H H 7.315 0.020 1
226 47 53 VAL C C 174.327 0.3 1
227 47 53 VAL CA C 60.410 0.3 1
228 47 53 VAL CB C 31.359 0.3 1
229 47 53 VAL N N 113.001 0.3 1
230 48 54 LYS H H 8.119 0.020 1
231 48 54 LYS C C 175.052 0.3 1
232 48 54 LYS CA C 54.927 0.3 1
233 48 54 LYS CB C 33.808 0.3 1
234 48 54 LYS N N 121.777 0.3 1
235 49 55 ARG H H 8.624 0.020 1
236 49 55 ARG C C 175.550 0.3 1
237 49 55 ARG CA C 55.710 0.3 1
238 49 55 ARG CB C 30.474 0.3 1
239 49 55 ARG N N 126.787 0.3 1
240 50 56 LEU H H 8.328 0.020 1
241 50 56 LEU C C 176.361 0.3 1
242 50 56 LEU CA C 54.250 0.3 1
243 50 56 LEU CB C 40.801 0.3 1
244 50 56 LEU N N 126.726 0.3 1
245 51 57 GLU H H 8.224 0.020 1
246 51 57 GLU C C 175.098 0.3 1
247 51 57 GLU CA C 55.506 0.3 1
248 51 57 GLU CB C 31.770 0.3 1
249 51 57 GLU N N 122.768 0.3 1
250 52 58 ASP H H 8.038 0.020 1
251 52 58 ASP CA C 56.425 0.3 1
252 52 58 ASP CB C 40.490 0.3 1
253 52 58 ASP N N 120.310 0.3 1
254 53 59 GLY C C 174.740 0.3 1
255 53 59 GLY CA C 45.170 0.3 1
256 54 60 ARG H H 7.367 0.020 1
257 54 60 ARG C C 175.270 0.3 1
258 54 60 ARG CA C 54.290 0.3 1
259 54 60 ARG CB C 32.690 0.3 1
260 54 60 ARG N N 119.368 0.3 1
261 55 61 THR H H 8.765 0.020 1
262 55 61 THR C C 176.460 0.3 1
263 55 61 THR CA C 59.700 0.3 1
264 55 61 THR CB C 72.280 0.3 1
265 55 61 THR N N 108.868 0.3 1
266 56 62 LEU H H 8.094 0.020 1
267 56 62 LEU C C 180.740 0.3 1
268 56 62 LEU CA C 58.469 0.3 1
269 56 62 LEU CB C 40.250 0.3 1
270 56 62 LEU N N 117.616 0.3 1
271 57 63 SER H H 8.344 0.020 1
272 57 63 SER C C 178.149 0.3 1
273 57 63 SER CA C 61.120 0.3 1
274 57 63 SER CB C 62.450 0.3 1
275 57 63 SER N N 113.297 0.3 1
276 58 64 ASP H H 7.830 0.020 1
277 58 64 ASP C C 177.360 0.3 1
278 58 64 ASP CA C 57.350 0.3 1
279 58 64 ASP CB C 40.250 0.3 1
280 58 64 ASP N N 124.353 0.3 1
281 59 65 TYR H H 7.189 0.020 1
282 59 65 TYR C C 174.790 0.3 1
283 59 65 TYR CA C 58.260 0.3 1
284 59 65 TYR CB C 39.980 0.3 1
285 59 65 TYR N N 115.595 0.3 1
286 60 66 ASN H H 8.079 0.020 1
287 60 66 ASN C C 174.240 0.3 1
288 60 66 ASN CA C 54.140 0.3 1
289 60 66 ASN CB C 37.390 0.3 1
290 60 66 ASN N N 115.611 0.3 1
291 61 67 ILE H H 7.118 0.020 1
292 61 67 ILE C C 174.312 0.3 1
293 61 67 ILE CA C 62.420 0.3 1
294 61 67 ILE CB C 36.660 0.3 1
295 61 67 ILE N N 119.249 0.3 1
296 62 68 GLN H H 7.830 0.020 1
297 62 68 GLN C C 175.437 0.3 1
298 62 68 GLN CA C 53.620 0.3 1
299 62 68 GLN CB C 31.610 0.3 1
300 62 68 GLN N N 124.829 0.3 1
301 63 69 LYS H H 8.286 0.020 1
302 63 69 LYS C C 176.793 0.3 1
303 63 69 LYS CA C 58.610 0.3 1
304 63 69 LYS CB C 32.590 0.3 1
305 63 69 LYS N N 119.384 0.3 1
306 64 70 LYS H H 9.225 0.020 1
307 64 70 LYS C C 175.529 0.3 1
308 64 70 LYS CA C 58.453 0.3 1
309 64 70 LYS CB C 29.635 0.3 1
310 64 70 LYS N N 117.016 0.3 1
311 65 71 SER H H 7.992 0.020 1
312 65 71 SER C C 171.754 0.3 1
313 65 71 SER CA C 61.239 0.3 1
314 65 71 SER CB C 64.769 0.3 1
315 65 71 SER N N 116.281 0.3 1
316 66 72 SER H H 8.503 0.020 1
317 66 72 SER C C 173.988 0.3 1
318 66 72 SER CA C 56.732 0.3 1
319 66 72 SER CB C 64.769 0.3 1
320 66 72 SER N N 115.778 0.3 1
321 67 73 LEU H H 9.285 0.020 1
322 67 73 LEU C C 175.540 0.3 1
323 67 73 LEU CA C 53.541 0.3 1
324 67 73 LEU CB C 44.524 0.3 1
325 67 73 LEU N N 125.273 0.3 1
326 68 74 LEU H H 9.023 0.020 1
327 68 74 LEU C C 173.418 0.3 1
328 68 74 LEU CA C 54.389 0.3 1
329 68 74 LEU CB C 44.984 0.3 1
330 68 74 LEU N N 123.759 0.3 1
331 69 75 LEU H H 8.666 0.020 1
332 69 75 LEU C C 173.079 0.3 1
333 69 75 LEU CA C 53.224 0.3 1
334 69 75 LEU CB C 44.270 0.3 1
335 69 75 LEU N N 128.528 0.3 1
336 70 76 ALA H H 9.401 0.020 1
337 70 76 ALA C C 175.206 0.3 1
338 70 76 ALA CA C 49.511 0.3 1
339 70 76 ALA CB C 22.621 0.3 1
340 70 76 ALA N N 127.755 0.3 1
341 71 77 MET H H 9.566 0.020 1
342 71 77 MET C C 176.377 0.3 1
343 71 77 MET CA C 53.803 0.3 1
344 71 77 MET CB C 33.729 0.3 1
345 71 77 MET N N 116.459 0.3 1
346 72 78 ARG H H 8.446 0.020 1
347 72 78 ARG C C 175.884 0.3 1
348 72 78 ARG CA C 53.122 0.3 1
349 72 78 ARG CB C 31.340 0.3 1
350 72 78 ARG N N 118.360 0.3 1
351 73 79 VAL H H 8.087 0.020 1
352 73 79 VAL C C 177.390 0.3 1
353 73 79 VAL CA C 60.342 0.3 1
354 73 79 VAL CB C 32.618 0.3 1
355 73 79 VAL N N 121.671 0.3 1
356 75 81 GLY H H 8.421 0.020 1
357 75 81 GLY CA C 44.991 0.3 1
358 75 81 GLY N N 109.532 0.3 1
359 76 82 LYS H H 8.184 0.020 1
360 76 82 LYS CA C 56.030 0.3 1
361 76 82 LYS CB C 33.211 0.3 1
362 76 82 LYS N N 120.925 0.3 1
363 77 83 MET H H 8.431 0.020 1
364 77 83 MET CA C 55.657 0.3 1
365 77 83 MET CB C 33.062 0.3 1
366 77 83 MET N N 122.729 0.3 1
367 78 84 LYS H H 7.837 0.020 1
368 78 84 LYS CA C 57.832 0.3 1
369 78 84 LYS CB C 33.561 0.3 1
370 78 84 LYS N N 127.390 0.3 1
stop_
save_