data_25544
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of human Myosin VI isoform3 (1050-1131)
;
_BMRB_accession_number 25544
_BMRB_flat_file_name bmr25544.str
_Entry_type original
_Submission_date 2015-03-20
_Accession_date 2015-03-20
_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 He Fahu . .
2 Walters Kylie . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 527
"13C chemical shifts" 366
"15N chemical shifts" 89
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-08-25 update BMRB 'update entry citation'
2016-03-07 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
25541 'MyUb (1080-1122) of human Myosin VI'
25542 'MyUb (1080-1131) of human Myosin VI'
25543 'human Myosin VI isoform3 (998-1071)'
25545 'MyUb (1080-1122) of human Myosin VI with K63-diUb'
stop_
_Original_release_date 2016-02-29
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Myosin VI Contains a Compact Structural Motif that Binds to Ubiquitin Chains
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 26971995
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 He Fahu . .
2 Wollscheid Hans-Peter . .
3 Nowicka Urszula . .
4 Biancospino Matteo . .
5 Valentini Eleonora . .
6 Ehlinger Aaron . .
7 Acconcia Filippo . .
8 Magistrati Elisa . .
9 Polo Simona . .
10 Walters Kylie J. .
stop_
_Journal_abbreviation 'Cell Rep.'
_Journal_volume 14
_Journal_issue 11
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 2683
_Page_last 2694
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'human Myosin VI isoform3 (1050-1131)'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity $entity
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity
_Molecular_mass 9580.269
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 82
_Mol_residue_sequence
;
RPKMTPEQMAKEMSEFLSRG
PAVLATKAAAGTKKYDLSKW
KYAELRDTINTSCDIELLAA
CREEFHRRLKVYHAWKSKNK
KR
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 58 ARG 2 59 PRO 3 60 LYS 4 61 MET 5 62 THR
6 63 PRO 7 64 GLU 8 65 GLN 9 66 MET 10 67 ALA
11 68 LYS 12 69 GLU 13 70 MET 14 71 SER 15 72 GLU
16 73 PHE 17 74 LEU 18 75 SER 19 76 ARG 20 77 GLY
21 78 PRO 22 79 ALA 23 80 VAL 24 81 LEU 25 82 ALA
26 83 THR 27 84 LYS 28 85 ALA 29 86 ALA 30 87 ALA
31 88 GLY 32 89 THR 33 90 LYS 34 91 LYS 35 92 TYR
36 93 ASP 37 94 LEU 38 95 SER 39 96 LYS 40 97 TRP
41 98 LYS 42 99 TYR 43 100 ALA 44 101 GLU 45 102 LEU
46 103 ARG 47 104 ASP 48 105 THR 49 106 ILE 50 107 ASN
51 108 THR 52 109 SER 53 110 CYS 54 111 ASP 55 112 ILE
56 113 GLU 57 114 LEU 58 115 LEU 59 116 ALA 60 117 ALA
61 118 CYS 62 119 ARG 63 120 GLU 64 121 GLU 65 122 PHE
66 123 HIS 67 124 ARG 68 125 ARG 69 126 LEU 70 127 LYS
71 128 VAL 72 129 TYR 73 130 HIS 74 131 ALA 75 132 TRP
76 133 LYS 77 134 SER 78 135 LYS 79 136 ASN 80 137 LYS
81 138 LYS 82 139 ARG
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
$entity 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
$entity 'recombinant technology' . Escherichia coli . pGEX6p
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity 0.7 mM '[U-13C; U-15N]'
'sodium phosphate buffer' 20 mM 'natural abundance'
NaCl 50 mM 'natural abundance'
DTT 2 mM 'natural abundance'
NaN3 0.1 % 'natural abundance'
H2O 90 % 'natural abundance'
D2O 10 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_Kujira
_Saveframe_category software
_Name Kujira
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Naohiro Kobayashi' . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_X-PLOR_NIH
_Saveframe_category software
_Name X-PLOR_NIH
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Schwieters, Kuszewski, Tjandra and Clore' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_1H-15N_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details '20mM sodium phosphate buffer (pH 6.5), 50 mM NaCl, 2mM DTT, 0.1% NaN3.'
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 50 . mM
pH 6.5 . pH
pressure 1 . atm
temperature 283 . 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 . . . 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_
_Experiment_label
'3D 1H-15N NOESY'
'3D 1H-13C NOESY'
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 entity
_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 58 1 ARG H H 8.470 0.030 1
2 58 1 ARG HA H 4.624 0.030 1
3 58 1 ARG HB2 H 1.722 0.030 2
4 58 1 ARG HB3 H 1.829 0.030 2
5 58 1 ARG HG2 H 1.647 0.030 2
6 58 1 ARG HG3 H 1.684 0.030 2
7 58 1 ARG HD2 H 3.163 0.030 2
8 58 1 ARG HD3 H 3.163 0.030 2
9 58 1 ARG C C 171.187 0.300 1
10 58 1 ARG CA C 53.988 0.300 1
11 58 1 ARG CB C 30.172 0.300 1
12 58 1 ARG CG C 26.730 0.300 1
13 58 1 ARG CD C 43.366 0.300 1
14 58 1 ARG N N 124.196 0.300 1
15 59 2 PRO HA H 4.400 0.030 1
16 59 2 PRO HB2 H 1.860 0.030 2
17 59 2 PRO HB3 H 2.276 0.030 2
18 59 2 PRO HG2 H 1.986 0.030 2
19 59 2 PRO HG3 H 1.986 0.030 2
20 59 2 PRO HD2 H 3.791 0.030 2
21 59 2 PRO HD3 H 3.596 0.030 2
22 59 2 PRO CA C 62.945 0.300 1
23 59 2 PRO CB C 32.254 0.300 1
24 59 2 PRO CG C 27.383 0.300 1
25 59 2 PRO CD C 50.630 0.300 1
26 60 3 LYS H H 8.526 0.030 1
27 60 3 LYS HA H 4.248 0.030 1
28 60 3 LYS HB2 H 1.724 0.030 2
29 60 3 LYS HB3 H 1.789 0.030 2
30 60 3 LYS HG2 H 1.457 0.030 2
31 60 3 LYS HG3 H 1.457 0.030 2
32 60 3 LYS HD2 H 1.682 0.030 2
33 60 3 LYS HD3 H 1.682 0.030 2
34 60 3 LYS HE2 H 2.960 0.030 2
35 60 3 LYS HE3 H 2.960 0.030 2
36 60 3 LYS CA C 56.328 0.300 1
37 60 3 LYS CB C 32.907 0.300 1
38 60 3 LYS CG C 24.876 0.300 1
39 60 3 LYS CD C 29.026 0.300 1
40 60 3 LYS CE C 42.091 0.300 1
41 60 3 LYS N N 122.364 0.300 1
42 61 4 MET H H 8.488 0.030 1
43 61 4 MET HA H 4.582 0.030 1
44 61 4 MET HB2 H 1.855 0.030 2
45 61 4 MET HB3 H 1.936 0.030 2
46 61 4 MET HG2 H 2.475 0.030 2
47 61 4 MET HG3 H 2.509 0.030 2
48 61 4 MET HE H 1.943 0.030 1
49 61 4 MET C C 173.077 0.300 1
50 61 4 MET CA C 55.370 0.300 1
51 61 4 MET CB C 34.713 0.300 1
52 61 4 MET CG C 32.244 0.300 1
53 61 4 MET CE C 16.896 0.300 1
54 61 4 MET N N 122.919 0.300 1
55 62 5 THR H H 8.408 0.030 1
56 62 5 THR HA H 4.617 0.030 1
57 62 5 THR HB H 4.763 0.030 1
58 62 5 THR HG2 H 1.310 0.030 1
59 62 5 THR C C 170.881 0.300 1
60 62 5 THR CA C 59.700 0.300 1
61 62 5 THR CB C 68.605 0.300 1
62 62 5 THR CG2 C 21.933 0.300 1
63 62 5 THR N N 114.972 0.300 1
64 63 6 PRO HA H 4.047 0.030 1
65 63 6 PRO HB2 H 2.291 0.030 2
66 63 6 PRO HB3 H 1.927 0.030 2
67 63 6 PRO HG2 H 1.887 0.030 2
68 63 6 PRO HG3 H 2.139 0.030 2
69 63 6 PRO HD2 H 3.901 0.030 2
70 63 6 PRO HD3 H 3.901 0.030 2
71 63 6 PRO CA C 65.722 0.300 1
72 63 6 PRO CB C 32.023 0.300 1
73 63 6 PRO CG C 28.148 0.300 1
74 63 6 PRO CD C 50.366 0.300 1
75 64 7 GLU H H 8.717 0.030 1
76 64 7 GLU HA H 3.890 0.030 1
77 64 7 GLU HB2 H 2.117 0.030 2
78 64 7 GLU HB3 H 1.903 0.030 2
79 64 7 GLU HG2 H 2.422 0.030 2
80 64 7 GLU HG3 H 2.422 0.030 2
81 64 7 GLU CA C 59.845 0.300 1
82 64 7 GLU CB C 29.234 0.300 1
83 64 7 GLU CG C 36.563 0.300 1
84 64 7 GLU N N 117.301 0.300 1
85 65 8 GLN H H 7.835 0.030 1
86 65 8 GLN HA H 3.893 0.030 1
87 65 8 GLN HB2 H 1.893 0.030 2
88 65 8 GLN HB3 H 2.252 0.030 2
89 65 8 GLN HG2 H 2.375 0.030 2
90 65 8 GLN HG3 H 2.415 0.030 2
91 65 8 GLN HE21 H 6.867 0.030 2
92 65 8 GLN HE22 H 7.810 0.030 2
93 65 8 GLN CA C 58.466 0.300 1
94 65 8 GLN CB C 28.272 0.300 1
95 65 8 GLN CG C 33.852 0.300 1
96 65 8 GLN N N 121.270 0.300 1
97 65 8 GLN NE2 N 111.931 0.300 1
98 66 9 MET H H 8.176 0.030 1
99 66 9 MET HA H 3.452 0.030 1
100 66 9 MET HB2 H 1.707 0.030 2
101 66 9 MET HB3 H 1.309 0.030 2
102 66 9 MET HG2 H 1.531 0.030 2
103 66 9 MET HG3 H 1.554 0.030 2
104 66 9 MET HE H 1.827 0.030 1
105 66 9 MET CA C 59.490 0.300 1
106 66 9 MET CB C 32.808 0.300 1
107 66 9 MET CG C 32.312 0.300 1
108 66 9 MET CE C 16.810 0.300 1
109 66 9 MET N N 119.383 0.300 1
110 67 10 ALA H H 7.900 0.030 1
111 67 10 ALA HA H 3.587 0.030 1
112 67 10 ALA HB H 0.700 0.030 1
113 67 10 ALA CA C 55.080 0.300 1
114 67 10 ALA CB C 17.339 0.300 1
115 67 10 ALA N N 120.982 0.300 1
116 68 11 LYS H H 7.692 0.030 1
117 68 11 LYS HA H 3.900 0.030 1
118 68 11 LYS HB2 H 1.843 0.030 2
119 68 11 LYS HB3 H 1.836 0.030 2
120 68 11 LYS HG2 H 1.297 0.030 2
121 68 11 LYS HG3 H 1.437 0.030 2
122 68 11 LYS HD2 H 1.652 0.030 2
123 68 11 LYS HD3 H 1.667 0.030 2
124 68 11 LYS HE2 H 2.931 0.030 2
125 68 11 LYS HE3 H 2.931 0.030 2
126 68 11 LYS CA C 59.435 0.300 1
127 68 11 LYS CB C 32.331 0.300 1
128 68 11 LYS CG C 24.710 0.300 1
129 68 11 LYS CD C 29.410 0.300 1
130 68 11 LYS CE C 42.091 0.300 1
131 68 11 LYS N N 119.922 0.300 1
132 69 12 GLU H H 7.791 0.030 1
133 69 12 GLU HA H 3.904 0.030 1
134 69 12 GLU HB2 H 1.927 0.030 2
135 69 12 GLU HB3 H 2.072 0.030 2
136 69 12 GLU HG2 H 2.312 0.030 2
137 69 12 GLU HG3 H 2.055 0.030 2
138 69 12 GLU CA C 59.922 0.300 1
139 69 12 GLU CB C 29.410 0.300 1
140 69 12 GLU CG C 37.445 0.300 1
141 69 12 GLU N N 119.473 0.300 1
142 70 13 MET H H 8.619 0.030 1
143 70 13 MET HA H 3.674 0.030 1
144 70 13 MET HB2 H 1.391 0.030 2
145 70 13 MET HB3 H 2.069 0.030 2
146 70 13 MET HG2 H 0.931 0.030 2
147 70 13 MET HG3 H 2.595 0.030 2
148 70 13 MET HE H 1.677 0.030 1
149 70 13 MET C C 174.607 0.300 1
150 70 13 MET CA C 60.691 0.300 1
151 70 13 MET CB C 34.375 0.300 1
152 70 13 MET CG C 32.826 0.300 1
153 70 13 MET CE C 16.544 0.300 1
154 70 13 MET N N 118.480 0.300 1
155 71 14 SER H H 8.203 0.030 1
156 71 14 SER HA H 4.005 0.030 1
157 71 14 SER HB2 H 3.958 0.030 2
158 71 14 SER HB3 H 4.022 0.030 2
159 71 14 SER CA C 60.076 0.300 1
160 71 14 SER CB C 62.749 0.300 1
161 71 14 SER N N 113.679 0.300 1
162 72 15 GLU H H 8.042 0.030 1
163 72 15 GLU HA H 4.023 0.030 1
164 72 15 GLU HB2 H 1.968 0.030 2
165 72 15 GLU HB3 H 2.088 0.030 2
166 72 15 GLU HG2 H 2.171 0.030 2
167 72 15 GLU HG3 H 2.393 0.030 2
168 72 15 GLU CA C 59.421 0.300 1
169 72 15 GLU CB C 28.854 0.300 1
170 72 15 GLU CG C 36.355 0.300 1
171 72 15 GLU N N 123.151 0.300 1
172 73 16 PHE H H 8.283 0.030 1
173 73 16 PHE HA H 4.298 0.030 1
174 73 16 PHE HB2 H 3.317 0.030 2
175 73 16 PHE HB3 H 3.165 0.030 2
176 73 16 PHE HD1 H 7.134 0.030 3
177 73 16 PHE HD2 H 7.134 0.030 3
178 73 16 PHE HE1 H 7.264 0.030 3
179 73 16 PHE HE2 H 7.264 0.030 3
180 73 16 PHE CA C 61.388 0.300 1
181 73 16 PHE CB C 38.940 0.300 1
182 73 16 PHE CD1 C 131.488 0.300 3
183 73 16 PHE CD2 C 131.488 0.300 3
184 73 16 PHE CE1 C 131.568 0.300 3
185 73 16 PHE CE2 C 131.568 0.300 3
186 73 16 PHE N N 119.838 0.300 1
187 74 17 LEU H H 8.233 0.030 1
188 74 17 LEU HA H 4.101 0.030 1
189 74 17 LEU HB2 H 1.935 0.030 2
190 74 17 LEU HB3 H 1.544 0.030 2
191 74 17 LEU HG H 2.064 0.030 1
192 74 17 LEU HD1 H 0.700 0.030 2
193 74 17 LEU HD2 H 1.000 0.030 2
194 74 17 LEU CA C 57.002 0.300 1
195 74 17 LEU CB C 41.553 0.300 1
196 74 17 LEU CG C 26.684 0.300 1
197 74 17 LEU CD1 C 25.350 0.300 2
198 74 17 LEU CD2 C 22.688 0.300 2
199 74 17 LEU N N 117.999 0.300 1
200 75 18 SER H H 7.911 0.030 1
201 75 18 SER HA H 4.368 0.030 1
202 75 18 SER HB2 H 3.997 0.030 2
203 75 18 SER HB3 H 4.008 0.030 2
204 75 18 SER CA C 60.194 0.300 1
205 75 18 SER CB C 63.534 0.300 1
206 75 18 SER N N 114.535 0.300 1
207 76 19 ARG H H 7.433 0.030 1
208 76 19 ARG HA H 4.391 0.030 1
209 76 19 ARG HB2 H 1.763 0.030 2
210 76 19 ARG HB3 H 1.932 0.030 2
211 76 19 ARG HG2 H 1.791 0.030 2
212 76 19 ARG HG3 H 1.649 0.030 2
213 76 19 ARG HD2 H 3.168 0.030 2
214 76 19 ARG HD3 H 3.084 0.030 2
215 76 19 ARG HE H 7.382 0.030 1
216 76 19 ARG CA C 56.288 0.300 1
217 76 19 ARG CB C 31.027 0.300 1
218 76 19 ARG CG C 27.141 0.300 1
219 76 19 ARG CD C 43.782 0.300 1
220 76 19 ARG N N 120.459 0.300 1
221 76 19 ARG NE N 84.690 0.300 1
222 77 20 GLY H H 7.869 0.030 1
223 77 20 GLY HA2 H 4.180 0.030 2
224 77 20 GLY HA3 H 3.882 0.030 2
225 77 20 GLY CA C 44.522 0.300 1
226 77 20 GLY N N 108.567 0.300 1
227 78 21 PRO HA H 4.404 0.030 1
228 78 21 PRO HB2 H 1.914 0.030 2
229 78 21 PRO HB3 H 2.252 0.030 2
230 78 21 PRO HG2 H 1.972 0.030 2
231 78 21 PRO HG3 H 1.972 0.030 2
232 78 21 PRO HD2 H 3.590 0.030 2
233 78 21 PRO HD3 H 3.483 0.030 2
234 78 21 PRO C C 173.976 0.300 1
235 78 21 PRO CA C 62.662 0.300 1
236 78 21 PRO CB C 32.331 0.300 1
237 78 21 PRO CG C 27.199 0.300 1
238 78 21 PRO CD C 49.610 0.300 1
239 79 22 ALA H H 8.500 0.030 1
240 79 22 ALA HA H 4.229 0.030 1
241 79 22 ALA HB H 1.341 0.030 1
242 79 22 ALA C C 175.117 0.300 1
243 79 22 ALA CA C 52.494 0.300 1
244 79 22 ALA CB C 18.815 0.300 1
245 79 22 ALA N N 124.447 0.300 1
246 80 23 VAL H H 8.171 0.030 1
247 80 23 VAL HA H 3.982 0.030 1
248 80 23 VAL HB H 1.923 0.030 1
249 80 23 VAL HG1 H 0.838 0.030 2
250 80 23 VAL HG2 H 0.887 0.030 2
251 80 23 VAL C C 173.110 0.300 1
252 80 23 VAL CA C 62.279 0.300 1
253 80 23 VAL CB C 32.792 0.300 1
254 80 23 VAL CG1 C 21.161 0.300 2
255 80 23 VAL CG2 C 20.774 0.300 2
256 80 23 VAL N N 120.259 0.300 1
257 81 24 LEU H H 8.383 0.030 1
258 81 24 LEU HA H 4.322 0.030 1
259 81 24 LEU HB2 H 1.590 0.030 2
260 81 24 LEU HB3 H 1.518 0.030 2
261 81 24 LEU HG H 1.584 0.030 1
262 81 24 LEU HD1 H 0.873 0.030 2
263 81 24 LEU HD2 H 0.829 0.030 2
264 81 24 LEU C C 174.148 0.300 1
265 81 24 LEU CA C 54.703 0.300 1
266 81 24 LEU CB C 42.399 0.300 1
267 81 24 LEU CG C 26.930 0.300 1
268 81 24 LEU CD1 C 24.906 0.300 2
269 81 24 LEU CD2 C 23.489 0.300 2
270 81 24 LEU N N 126.662 0.300 1
271 82 25 ALA H H 8.365 0.030 1
272 82 25 ALA HA H 4.306 0.030 1
273 82 25 ALA HB H 1.367 0.030 1
274 82 25 ALA C C 175.066 0.300 1
275 82 25 ALA CA C 52.575 0.300 1
276 82 25 ALA CB C 19.068 0.300 1
277 82 25 ALA N N 125.287 0.300 1
278 83 26 THR H H 8.072 0.030 1
279 83 26 THR HA H 4.260 0.030 1
280 83 26 THR HB H 4.169 0.030 1
281 83 26 THR HG2 H 1.176 0.030 1
282 83 26 THR C C 173.438 0.300 1
283 83 26 THR CA C 61.705 0.300 1
284 83 26 THR CB C 69.909 0.300 1
285 83 26 THR CG2 C 21.626 0.300 1
286 83 26 THR N N 113.497 0.300 1
287 84 27 LYS H H 8.341 0.030 1
288 84 27 LYS HA H 4.273 0.030 1
289 84 27 LYS HB2 H 1.803 0.030 2
290 84 27 LYS HB3 H 1.763 0.030 2
291 84 27 LYS HG2 H 1.407 0.030 2
292 84 27 LYS HG3 H 1.407 0.030 2
293 84 27 LYS HD2 H 1.657 0.030 2
294 84 27 LYS HD3 H 1.657 0.030 2
295 84 27 LYS HE2 H 2.938 0.030 2
296 84 27 LYS HE3 H 2.938 0.030 2
297 84 27 LYS C C 173.482 0.300 1
298 84 27 LYS CA C 56.287 0.300 1
299 84 27 LYS CB C 32.869 0.300 1
300 84 27 LYS CG C 24.645 0.300 1
301 84 27 LYS CD C 28.949 0.300 1
302 84 27 LYS CE C 42.015 0.300 1
303 84 27 LYS N N 123.736 0.300 1
304 85 28 ALA H H 8.372 0.030 1
305 85 28 ALA HA H 4.259 0.030 1
306 85 28 ALA HB H 1.354 0.030 1
307 85 28 ALA C C 174.717 0.300 1
308 85 28 ALA CA C 52.787 0.300 1
309 85 28 ALA CB C 19.205 0.300 1
310 85 28 ALA N N 125.872 0.300 1
311 86 29 ALA H H 8.364 0.030 1
312 86 29 ALA HA H 4.227 0.030 1
313 86 29 ALA HB H 1.362 0.030 1
314 86 29 ALA C C 174.826 0.300 1
315 86 29 ALA CA C 52.467 0.300 1
316 86 29 ALA CB C 19.188 0.300 1
317 86 29 ALA N N 123.908 0.300 1
318 87 30 ALA H H 8.430 0.030 1
319 87 30 ALA HA H 4.246 0.030 1
320 87 30 ALA HB H 1.380 0.030 1
321 87 30 ALA C C 175.613 0.300 1
322 87 30 ALA CA C 52.322 0.300 1
323 87 30 ALA CB C 19.111 0.300 1
324 87 30 ALA N N 123.811 0.300 1
325 88 31 GLY H H 8.490 0.030 1
326 88 31 GLY HA2 H 3.945 0.030 2
327 88 31 GLY HA3 H 3.945 0.030 2
328 88 31 GLY C C 171.455 0.300 1
329 88 31 GLY CA C 43.351 0.300 1
330 88 31 GLY N N 108.393 0.300 1
331 89 32 THR H H 8.120 0.030 1
332 89 32 THR HA H 4.263 0.030 1
333 89 32 THR HB H 4.177 0.030 1
334 89 32 THR HG2 H 1.169 0.030 1
335 89 32 THR C C 171.741 0.300 1
336 89 32 THR CA C 62.140 0.300 1
337 89 32 THR CB C 69.888 0.300 1
338 89 32 THR CG2 C 21.662 0.300 1
339 89 32 THR N N 113.807 0.300 1
340 90 33 LYS H H 8.439 0.030 1
341 90 33 LYS HA H 4.154 0.030 1
342 90 33 LYS HB2 H 1.596 0.030 2
343 90 33 LYS HB3 H 1.596 0.030 2
344 90 33 LYS HG2 H 1.156 0.030 2
345 90 33 LYS HG3 H 1.284 0.030 2
346 90 33 LYS HD2 H 1.567 0.030 2
347 90 33 LYS HD3 H 1.567 0.030 2
348 90 33 LYS HE2 H 2.864 0.030 2
349 90 33 LYS HE3 H 2.864 0.030 2
350 90 33 LYS C C 172.964 0.300 1
351 90 33 LYS CA C 56.285 0.300 1
352 90 33 LYS CB C 32.833 0.300 1
353 90 33 LYS CG C 24.656 0.300 1
354 90 33 LYS CD C 28.959 0.300 1
355 90 33 LYS CE C 41.980 0.300 1
356 90 33 LYS N N 124.677 0.300 1
357 91 34 LYS H H 8.273 0.030 1
358 91 34 LYS HA H 4.151 0.030 1
359 91 34 LYS HB2 H 1.493 0.030 2
360 91 34 LYS HB3 H 1.512 0.030 2
361 91 34 LYS HG2 H 1.156 0.030 2
362 91 34 LYS HG3 H 0.975 0.030 2
363 91 34 LYS HD2 H 1.503 0.030 2
364 91 34 LYS HD3 H 1.503 0.030 2
365 91 34 LYS HE2 H 2.848 0.030 2
366 91 34 LYS HE3 H 2.848 0.030 2
367 91 34 LYS C C 173.147 0.300 1
368 91 34 LYS CA C 56.327 0.300 1
369 91 34 LYS CB C 33.223 0.300 1
370 91 34 LYS CG C 24.581 0.300 1
371 91 34 LYS CD C 29.007 0.300 1
372 91 34 LYS CE C 41.970 0.300 1
373 91 34 LYS N N 123.465 0.300 1
374 92 35 TYR H H 8.309 0.030 1
375 92 35 TYR HA H 4.436 0.030 1
376 92 35 TYR HB2 H 2.491 0.030 2
377 92 35 TYR HB3 H 2.491 0.030 2
378 92 35 TYR HD1 H 6.920 0.030 3
379 92 35 TYR HD2 H 6.920 0.030 3
380 92 35 TYR HE1 H 6.622 0.030 3
381 92 35 TYR HE2 H 6.622 0.030 3
382 92 35 TYR C C 172.016 0.300 1
383 92 35 TYR CA C 57.451 0.300 1
384 92 35 TYR CB C 40.426 0.300 1
385 92 35 TYR CD1 C 133.050 0.300 3
386 92 35 TYR CD2 C 133.050 0.300 3
387 92 35 TYR CE1 C 117.838 0.300 3
388 92 35 TYR CE2 C 117.838 0.300 3
389 92 35 TYR N N 119.607 0.300 1
390 93 36 ASP H H 8.674 0.030 1
391 93 36 ASP HA H 4.695 0.030 1
392 93 36 ASP HB2 H 2.519 0.030 2
393 93 36 ASP HB3 H 2.854 0.030 2
394 93 36 ASP C C 173.276 0.300 1
395 93 36 ASP CA C 52.774 0.300 1
396 93 36 ASP CB C 40.370 0.300 1
397 93 36 ASP N N 120.486 0.300 1
398 94 37 LEU H H 9.013 0.030 1
399 94 37 LEU HA H 3.704 0.030 1
400 94 37 LEU HB2 H 0.835 0.030 2
401 94 37 LEU HB3 H 1.003 0.030 2
402 94 37 LEU HG H 0.827 0.030 1
403 94 37 LEU HD1 H 0.099 0.030 2
404 94 37 LEU HD2 H -0.719 0.030 2
405 94 37 LEU C C 175.592 0.300 1
406 94 37 LEU CA C 53.207 0.300 1
407 94 37 LEU CB C 39.967 0.300 1
408 94 37 LEU CG C 26.156 0.300 1
409 94 37 LEU CD1 C 26.445 0.300 2
410 94 37 LEU CD2 C 20.276 0.300 2
411 94 37 LEU N N 126.535 0.300 1
412 95 38 SER H H 8.141 0.030 1
413 95 38 SER HA H 4.312 0.030 1
414 95 38 SER HB2 H 4.021 0.030 2
415 95 38 SER HB3 H 3.855 0.030 2
416 95 38 SER C C 173.247 0.300 1
417 95 38 SER CA C 61.768 0.300 1
418 95 38 SER CB C 62.843 0.300 1
419 95 38 SER N N 116.784 0.300 1
420 96 39 LYS H H 8.536 0.030 1
421 96 39 LYS HA H 4.520 0.030 1
422 96 39 LYS HB2 H 1.742 0.030 2
423 96 39 LYS HB3 H 2.105 0.030 2
424 96 39 LYS HG2 H 1.391 0.030 2
425 96 39 LYS HG3 H 1.500 0.030 2
426 96 39 LYS HD2 H 1.637 0.030 2
427 96 39 LYS HD3 H 1.637 0.030 2
428 96 39 LYS HE2 H 2.971 0.030 2
429 96 39 LYS HE3 H 2.971 0.030 2
430 96 39 LYS C C 175.079 0.300 1
431 96 39 LYS CA C 55.267 0.300 1
432 96 39 LYS CB C 31.977 0.300 1
433 96 39 LYS CG C 25.105 0.300 1
434 96 39 LYS CD C 28.699 0.300 1
435 96 39 LYS CE C 42.095 0.300 1
436 96 39 LYS N N 118.341 0.300 1
437 97 40 TRP H H 7.864 0.030 1
438 97 40 TRP HA H 4.576 0.030 1
439 97 40 TRP HB2 H 3.196 0.030 2
440 97 40 TRP HB3 H 3.196 0.030 2
441 97 40 TRP HD1 H 7.162 0.030 1
442 97 40 TRP HE1 H 10.233 0.030 1
443 97 40 TRP HE3 H 7.052 0.030 1
444 97 40 TRP HZ2 H 7.329 0.030 1
445 97 40 TRP HZ3 H 7.032 0.030 1
446 97 40 TRP HH2 H 7.012 0.030 1
447 97 40 TRP C C 174.862 0.300 1
448 97 40 TRP CA C 58.348 0.300 1
449 97 40 TRP CB C 28.544 0.300 1
450 97 40 TRP CD1 C 123.901 0.300 1
451 97 40 TRP CE3 C 119.724 0.300 1
452 97 40 TRP CZ2 C 114.910 0.300 1
453 97 40 TRP CZ3 C 121.466 0.300 1
454 97 40 TRP CH2 C 124.555 0.300 1
455 97 40 TRP N N 122.206 0.300 1
456 97 40 TRP NE1 N 128.949 0.300 1
457 98 41 LYS H H 9.458 0.030 1
458 98 41 LYS HA H 4.524 0.030 1
459 98 41 LYS HB2 H 2.222 0.030 2
460 98 41 LYS HB3 H 1.731 0.030 2
461 98 41 LYS HG2 H 1.605 0.030 2
462 98 41 LYS HG3 H 1.662 0.030 2
463 98 41 LYS HD2 H 1.661 0.030 2
464 98 41 LYS HD3 H 1.768 0.030 2
465 98 41 LYS HE2 H 3.026 0.030 2
466 98 41 LYS HE3 H 3.026 0.030 2
467 98 41 LYS C C 175.094 0.300 1
468 98 41 LYS CA C 55.568 0.300 1
469 98 41 LYS CB C 32.801 0.300 1
470 98 41 LYS CG C 25.521 0.300 1
471 98 41 LYS CD C 28.827 0.300 1
472 98 41 LYS CE C 42.103 0.300 1
473 98 41 LYS N N 123.433 0.300 1
474 99 42 TYR H H 9.380 0.030 1
475 99 42 TYR HA H 4.084 0.030 1
476 99 42 TYR HB2 H 2.911 0.030 2
477 99 42 TYR HB3 H 3.369 0.030 2
478 99 42 TYR HD1 H 6.954 0.030 3
479 99 42 TYR HD2 H 6.954 0.030 3
480 99 42 TYR HE1 H 6.554 0.030 3
481 99 42 TYR HE2 H 6.554 0.030 3
482 99 42 TYR C C 174.531 0.300 1
483 99 42 TYR CA C 63.279 0.300 1
484 99 42 TYR CB C 38.153 0.300 1
485 99 42 TYR CD1 C 132.735 0.300 3
486 99 42 TYR CD2 C 132.735 0.300 3
487 99 42 TYR CE1 C 117.896 0.300 3
488 99 42 TYR CE2 C 117.896 0.300 3
489 99 42 TYR N N 124.960 0.300 1
490 100 43 ALA H H 8.958 0.030 1
491 100 43 ALA HA H 3.625 0.030 1
492 100 43 ALA HB H 1.396 0.030 1
493 100 43 ALA C C 176.314 0.300 1
494 100 43 ALA CA C 55.421 0.300 1
495 100 43 ALA CB C 18.611 0.300 1
496 100 43 ALA N N 117.751 0.300 1
497 101 44 GLU H H 6.875 0.030 1
498 101 44 GLU HA H 4.103 0.030 1
499 101 44 GLU HB2 H 2.253 0.030 2
500 101 44 GLU HB3 H 1.729 0.030 2
501 101 44 GLU HG2 H 2.002 0.030 2
502 101 44 GLU HG3 H 2.058 0.030 2
503 101 44 GLU C C 177.380 0.300 1
504 101 44 GLU CA C 58.533 0.300 1
505 101 44 GLU CB C 29.975 0.300 1
506 101 44 GLU CG C 36.909 0.300 1
507 101 44 GLU N N 114.616 0.300 1
508 102 45 LEU H H 7.792 0.030 1
509 102 45 LEU HA H 4.078 0.030 1
510 102 45 LEU HB2 H 1.261 0.030 2
511 102 45 LEU HB3 H 2.120 0.030 2
512 102 45 LEU HG H 1.901 0.030 1
513 102 45 LEU HD1 H 0.765 0.030 2
514 102 45 LEU HD2 H 0.959 0.030 2
515 102 45 LEU C C 174.830 0.300 1
516 102 45 LEU CA C 58.522 0.300 1
517 102 45 LEU CB C 42.896 0.300 1
518 102 45 LEU CG C 27.176 0.300 1
519 102 45 LEU CD1 C 25.646 0.300 2
520 102 45 LEU CD2 C 25.661 0.300 2
521 102 45 LEU N N 123.075 0.300 1
522 103 46 ARG H H 8.492 0.030 1
523 103 46 ARG HA H 3.540 0.030 1
524 103 46 ARG HB2 H 1.593 0.030 2
525 103 46 ARG HB3 H 1.223 0.030 2
526 103 46 ARG HG2 H 1.385 0.030 2
527 103 46 ARG HG3 H 1.607 0.030 2
528 103 46 ARG HD2 H 3.180 0.030 2
529 103 46 ARG HD3 H 3.180 0.030 2
530 103 46 ARG HE H 7.559 0.030 1
531 103 46 ARG C C 175.240 0.300 1
532 103 46 ARG CA C 58.893 0.300 1
533 103 46 ARG CB C 29.739 0.300 1
534 103 46 ARG CG C 26.353 0.300 1
535 103 46 ARG CD C 43.325 0.300 1
536 103 46 ARG N N 119.230 0.300 1
537 103 46 ARG NE N 84.834 0.300 1
538 104 47 ASP H H 8.141 0.030 1
539 104 47 ASP HA H 4.378 0.030 1
540 104 47 ASP HB2 H 2.663 0.030 2
541 104 47 ASP HB3 H 2.650 0.030 2
542 104 47 ASP C C 176.554 0.300 1
543 104 47 ASP CA C 57.356 0.300 1
544 104 47 ASP CB C 40.042 0.300 1
545 104 47 ASP N N 117.770 0.300 1
546 105 48 THR H H 7.832 0.030 1
547 105 48 THR HA H 3.822 0.030 1
548 105 48 THR HB H 4.492 0.030 1
549 105 48 THR HG2 H 1.121 0.030 1
550 105 48 THR C C 173.365 0.300 1
551 105 48 THR CA C 67.884 0.300 1
552 105 48 THR CB C 68.218 0.300 1
553 105 48 THR CG2 C 22.446 0.300 1
554 105 48 THR N N 118.387 0.300 1
555 106 49 ILE H H 8.207 0.030 1
556 106 49 ILE HA H 3.692 0.030 1
557 106 49 ILE HB H 1.560 0.030 1
558 106 49 ILE HG12 H 1.342 0.030 2
559 106 49 ILE HG13 H 0.933 0.030 2
560 106 49 ILE HG2 H 0.495 0.030 1
561 106 49 ILE HD1 H 0.232 0.030 1
562 106 49 ILE C C 174.485 0.300 1
563 106 49 ILE CA C 64.081 0.300 1
564 106 49 ILE CB C 37.226 0.300 1
565 106 49 ILE CG1 C 29.139 0.300 1
566 106 49 ILE CG2 C 17.678 0.300 1
567 106 49 ILE CD1 C 13.836 0.300 1
568 106 49 ILE N N 121.682 0.300 1
569 107 50 ASN H H 7.629 0.030 1
570 107 50 ASN HA H 4.719 0.030 1
571 107 50 ASN HB2 H 2.865 0.030 2
572 107 50 ASN HB3 H 2.900 0.030 2
573 107 50 ASN HD21 H 7.669 0.030 2
574 107 50 ASN HD22 H 6.862 0.030 2
575 107 50 ASN C C 173.902 0.300 1
576 107 50 ASN CA C 54.430 0.300 1
577 107 50 ASN CB C 39.681 0.300 1
578 107 50 ASN N N 115.937 0.300 1
579 107 50 ASN ND2 N 111.507 0.300 1
580 108 51 THR H H 7.587 0.030 1
581 108 51 THR HA H 4.618 0.030 1
582 108 51 THR HB H 4.143 0.030 1
583 108 51 THR HG2 H 1.182 0.030 1
584 108 51 THR C C 172.290 0.300 1
585 108 51 THR CA C 62.663 0.300 1
586 108 51 THR CB C 72.277 0.300 1
587 108 51 THR CG2 C 21.354 0.300 1
588 108 51 THR N N 108.280 0.300 1
589 109 52 SER H H 8.709 0.030 1
590 109 52 SER HA H 4.304 0.030 1
591 109 52 SER HB2 H 3.614 0.030 2
592 109 52 SER HB3 H 4.105 0.030 2
593 109 52 SER C C 172.473 0.300 1
594 109 52 SER CA C 59.570 0.300 1
595 109 52 SER CB C 64.522 0.300 1
596 109 52 SER N N 117.967 0.300 1
597 110 53 CYS H H 8.760 0.030 1
598 110 53 CYS HA H 4.796 0.030 1
599 110 53 CYS HB2 H 2.940 0.030 2
600 110 53 CYS HB3 H 3.020 0.030 2
601 110 53 CYS C C 170.861 0.300 1
602 110 53 CYS CA C 57.329 0.300 1
603 110 53 CYS CB C 28.379 0.300 1
604 110 53 CYS N N 121.621 0.300 1
605 111 54 ASP H H 8.559 0.030 1
606 111 54 ASP HA H 4.613 0.030 1
607 111 54 ASP HB2 H 2.468 0.030 2
608 111 54 ASP HB3 H 2.988 0.030 2
609 111 54 ASP C C 172.541 0.300 1
610 111 54 ASP CA C 53.278 0.300 1
611 111 54 ASP CB C 41.137 0.300 1
612 111 54 ASP N N 124.490 0.300 1
613 112 55 ILE H H 8.512 0.030 1
614 112 55 ILE HA H 3.719 0.030 1
615 112 55 ILE HB H 1.947 0.030 1
616 112 55 ILE HG12 H 1.584 0.030 2
617 112 55 ILE HG13 H 1.367 0.030 2
618 112 55 ILE HG2 H 0.982 0.030 1
619 112 55 ILE HD1 H 0.885 0.030 1
620 112 55 ILE C C 175.743 0.300 1
621 112 55 ILE CA C 64.680 0.300 1
622 112 55 ILE CB C 37.867 0.300 1
623 112 55 ILE CG1 C 27.733 0.300 1
624 112 55 ILE CG2 C 17.721 0.300 1
625 112 55 ILE CD1 C 12.983 0.300 1
626 112 55 ILE N N 125.460 0.300 1
627 113 56 GLU H H 8.172 0.030 1
628 113 56 GLU HA H 4.148 0.030 1
629 113 56 GLU HB2 H 2.190 0.030 2
630 113 56 GLU HB3 H 2.300 0.030 2
631 113 56 GLU HG2 H 2.309 0.030 2
632 113 56 GLU HG3 H 2.427 0.030 2
633 113 56 GLU C C 176.406 0.300 1
634 113 56 GLU CA C 59.382 0.300 1
635 113 56 GLU CB C 29.675 0.300 1
636 113 56 GLU CG C 37.331 0.300 1
637 113 56 GLU N N 121.097 0.300 1
638 114 57 LEU H H 7.801 0.030 1
639 114 57 LEU HA H 3.609 0.030 1
640 114 57 LEU HB2 H 1.118 0.030 2
641 114 57 LEU HB3 H 1.761 0.030 2
642 114 57 LEU HG H 1.067 0.030 1
643 114 57 LEU HD1 H 0.867 0.030 2
644 114 57 LEU HD2 H 0.244 0.030 2
645 114 57 LEU C C 176.399 0.300 1
646 114 57 LEU CA C 56.982 0.300 1
647 114 57 LEU CB C 40.789 0.300 1
648 114 57 LEU CG C 27.088 0.300 1
649 114 57 LEU CD1 C 26.227 0.300 2
650 114 57 LEU CD2 C 21.626 0.300 2
651 114 57 LEU N N 125.184 0.300 1
652 115 58 LEU H H 8.729 0.030 1
653 115 58 LEU HA H 3.704 0.030 1
654 115 58 LEU HB2 H 1.298 0.030 2
655 115 58 LEU HB3 H 1.841 0.030 2
656 115 58 LEU HG H 1.611 0.030 1
657 115 58 LEU HD1 H 0.786 0.030 2
658 115 58 LEU HD2 H 0.893 0.030 2
659 115 58 LEU C C 176.280 0.300 1
660 115 58 LEU CA C 58.654 0.300 1
661 115 58 LEU CB C 41.959 0.300 1
662 115 58 LEU CG C 26.797 0.300 1
663 115 58 LEU CD1 C 24.883 0.300 2
664 115 58 LEU CD2 C 24.364 0.300 2
665 115 58 LEU N N 120.703 0.300 1
666 116 59 ALA H H 7.796 0.030 1
667 116 59 ALA HA H 4.021 0.030 1
668 116 59 ALA HB H 1.499 0.030 1
669 116 59 ALA C C 177.606 0.300 1
670 116 59 ALA CA C 55.241 0.300 1
671 116 59 ALA CB C 17.751 0.300 1
672 116 59 ALA N N 120.894 0.300 1
673 117 60 ALA H H 7.755 0.030 1
674 117 60 ALA HA H 4.133 0.030 1
675 117 60 ALA HB H 1.336 0.030 1
676 117 60 ALA C C 178.452 0.300 1
677 117 60 ALA CA C 54.855 0.300 1
678 117 60 ALA CB C 17.971 0.300 1
679 117 60 ALA N N 122.422 0.300 1
680 118 61 CYS H H 8.473 0.030 1
681 118 61 CYS HA H 3.509 0.030 1
682 118 61 CYS HB2 H 1.824 0.030 2
683 118 61 CYS HB3 H 3.006 0.030 2
684 118 61 CYS C C 173.860 0.300 1
685 118 61 CYS CA C 63.837 0.300 1
686 118 61 CYS CB C 26.684 0.300 1
687 118 61 CYS N N 120.063 0.300 1
688 119 62 ARG H H 7.869 0.030 1
689 119 62 ARG HA H 3.720 0.030 1
690 119 62 ARG HB2 H 1.362 0.030 2
691 119 62 ARG HB3 H 1.868 0.030 2
692 119 62 ARG HG2 H 1.362 0.030 2
693 119 62 ARG HG3 H 1.667 0.030 2
694 119 62 ARG HD2 H 3.260 0.030 2
695 119 62 ARG HD3 H 3.260 0.030 2
696 119 62 ARG HE H 7.628 0.030 1
697 119 62 ARG C C 176.108 0.300 1
698 119 62 ARG CA C 60.861 0.300 1
699 119 62 ARG CB C 29.666 0.300 1
700 119 62 ARG CG C 29.602 0.300 1
701 119 62 ARG CD C 43.172 0.300 1
702 119 62 ARG N N 118.756 0.300 1
703 119 62 ARG NE N 84.163 0.300 1
704 120 63 GLU H H 8.013 0.030 1
705 120 63 GLU HA H 4.145 0.030 1
706 120 63 GLU HB2 H 2.130 0.030 2
707 120 63 GLU HB3 H 2.130 0.030 2
708 120 63 GLU HG2 H 2.323 0.030 2
709 120 63 GLU HG3 H 2.411 0.030 2
710 120 63 GLU C C 171.786 0.300 1
711 120 63 GLU CA C 59.543 0.300 1
712 120 63 GLU CB C 29.277 0.300 1
713 120 63 GLU CG C 36.173 0.300 1
714 120 63 GLU N N 118.864 0.300 1
715 121 64 GLU H H 8.044 0.030 1
716 121 64 GLU HA H 4.471 0.030 1
717 121 64 GLU HB2 H 1.842 0.030 2
718 121 64 GLU HB3 H 1.959 0.030 2
719 121 64 GLU HG2 H 1.995 0.030 2
720 121 64 GLU HG3 H 2.227 0.030 2
721 121 64 GLU C C 173.408 0.300 1
722 121 64 GLU CA C 58.078 0.300 1
723 121 64 GLU CB C 28.215 0.300 1
724 121 64 GLU CG C 34.781 0.300 1
725 121 64 GLU N N 121.820 0.300 1
726 122 65 PHE H H 8.534 0.030 1
727 122 65 PHE HA H 4.835 0.030 1
728 122 65 PHE HB2 H 3.055 0.030 2
729 122 65 PHE HB3 H 3.618 0.030 2
730 122 65 PHE HD1 H 7.109 0.030 3
731 122 65 PHE HD2 H 7.109 0.030 3
732 122 65 PHE HE1 H 7.020 0.030 3
733 122 65 PHE HE2 H 7.020 0.030 3
734 122 65 PHE HZ H 6.578 0.030 1
735 122 65 PHE C C 175.299 0.300 1
736 122 65 PHE CA C 61.549 0.300 1
737 122 65 PHE CB C 37.173 0.300 1
738 122 65 PHE CD1 C 129.082 0.300 3
739 122 65 PHE CD2 C 129.082 0.300 3
740 122 65 PHE CE1 C 131.496 0.300 3
741 122 65 PHE CE2 C 131.496 0.300 3
742 122 65 PHE CZ C 128.900 0.300 1
743 122 65 PHE N N 120.195 0.300 1
744 123 66 HIS H H 8.470 0.030 1
745 123 66 HIS HA H 4.217 0.030 1
746 123 66 HIS HB2 H 3.324 0.030 2
747 123 66 HIS HB3 H 3.324 0.030 2
748 123 66 HIS HD2 H 7.107 0.030 1
749 123 66 HIS HE1 H 7.951 0.030 1
750 123 66 HIS C C 174.771 0.300 1
751 123 66 HIS CA C 60.861 0.300 1
752 123 66 HIS CB C 30.102 0.300 1
753 123 66 HIS CD2 C 120.231 0.300 1
754 123 66 HIS CE1 C 138.037 0.300 1
755 123 66 HIS N N 118.719 0.300 1
756 124 67 ARG H H 8.301 0.030 1
757 124 67 ARG HA H 3.992 0.030 1
758 124 67 ARG HB2 H 2.047 0.030 2
759 124 67 ARG HB3 H 2.071 0.030 2
760 124 67 ARG HG2 H 1.561 0.030 2
761 124 67 ARG HG3 H 1.782 0.030 2
762 124 67 ARG HD2 H 3.361 0.030 2
763 124 67 ARG HD3 H 3.131 0.030 2
764 124 67 ARG HE H 8.070 0.030 1
765 124 67 ARG C C 176.310 0.300 1
766 124 67 ARG CA C 60.153 0.300 1
767 124 67 ARG CB C 30.640 0.300 1
768 124 67 ARG CG C 27.581 0.300 1
769 124 67 ARG CD C 42.937 0.300 1
770 124 67 ARG N N 120.407 0.300 1
771 124 67 ARG NE N 82.787 0.300 1
772 125 68 ARG H H 8.762 0.030 1
773 125 68 ARG HA H 3.981 0.030 1
774 125 68 ARG HB2 H 2.001 0.030 2
775 125 68 ARG HB3 H 2.149 0.030 2
776 125 68 ARG HG2 H 1.671 0.030 2
777 125 68 ARG HG3 H 1.785 0.030 2
778 125 68 ARG HD2 H 2.817 0.030 2
779 125 68 ARG HD3 H 3.475 0.030 2
780 125 68 ARG HE H 9.587 0.030 1
781 125 68 ARG C C 176.046 0.300 1
782 125 68 ARG CA C 60.250 0.300 1
783 125 68 ARG CB C 29.256 0.300 1
784 125 68 ARG CG C 29.180 0.300 1
785 125 68 ARG CD C 43.470 0.300 1
786 125 68 ARG N N 118.503 0.300 1
787 125 68 ARG NE N 88.008 0.300 1
788 126 69 LEU H H 8.923 0.030 1
789 126 69 LEU HA H 4.065 0.030 1
790 126 69 LEU HB2 H 1.607 0.030 2
791 126 69 LEU HB3 H 1.930 0.030 2
792 126 69 LEU HG H 1.689 0.030 1
793 126 69 LEU HD1 H 0.808 0.030 2
794 126 69 LEU HD2 H 0.913 0.030 2
795 126 69 LEU CA C 57.972 0.300 1
796 126 69 LEU CB C 41.972 0.300 1
797 126 69 LEU CG C 27.104 0.300 1
798 126 69 LEU CD1 C 25.327 0.300 2
799 126 69 LEU CD2 C 24.309 0.300 2
800 126 69 LEU N N 123.162 0.300 1
801 127 70 LYS H H 7.870 0.030 1
802 127 70 LYS HA H 4.141 0.030 1
803 127 70 LYS HB2 H 1.992 0.030 2
804 127 70 LYS HB3 H 1.992 0.030 2
805 127 70 LYS HG2 H 1.600 0.030 2
806 127 70 LYS HG3 H 1.434 0.030 2
807 127 70 LYS HD2 H 1.673 0.030 2
808 127 70 LYS HD3 H 1.673 0.030 2
809 127 70 LYS HE2 H 2.940 0.030 2
810 127 70 LYS HE3 H 2.940 0.030 2
811 127 70 LYS C C 176.354 0.300 1
812 127 70 LYS CA C 60.153 0.300 1
813 127 70 LYS CB C 32.100 0.300 1
814 127 70 LYS CG C 25.175 0.300 1
815 127 70 LYS CD C 29.333 0.300 1
816 127 70 LYS CE C 41.938 0.300 1
817 127 70 LYS N N 120.369 0.300 1
818 128 71 VAL H H 7.812 0.030 1
819 128 71 VAL HA H 3.765 0.030 1
820 128 71 VAL HB H 2.164 0.030 1
821 128 71 VAL HG1 H 1.121 0.030 2
822 128 71 VAL HG2 H 0.997 0.030 2
823 128 71 VAL C C 174.195 0.300 1
824 128 71 VAL CA C 66.365 0.300 1
825 128 71 VAL CB C 32.206 0.300 1
826 128 71 VAL CG1 C 22.570 0.300 2
827 128 71 VAL CG2 C 21.175 0.300 2
828 128 71 VAL N N 120.445 0.300 1
829 129 72 TYR H H 8.131 0.030 1
830 129 72 TYR HA H 4.413 0.030 1
831 129 72 TYR HB2 H 2.978 0.030 2
832 129 72 TYR HB3 H 3.105 0.030 2
833 129 72 TYR HD1 H 6.708 0.030 3
834 129 72 TYR HD2 H 6.708 0.030 3
835 129 72 TYR HE1 H 6.580 0.030 3
836 129 72 TYR HE2 H 6.580 0.030 3
837 129 72 TYR CA C 61.181 0.300 1
838 129 72 TYR CB C 37.941 0.300 1
839 129 72 TYR CD1 C 132.586 0.300 3
840 129 72 TYR CD2 C 132.586 0.300 3
841 129 72 TYR CE1 C 117.973 0.300 3
842 129 72 TYR CE2 C 117.973 0.300 3
843 129 72 TYR N N 122.074 0.300 1
844 130 73 HIS H H 8.840 0.030 1
845 130 73 HIS HA H 4.135 0.030 1
846 130 73 HIS HB2 H 3.144 0.030 2
847 130 73 HIS HB3 H 3.179 0.030 2
848 130 73 HIS HD2 H 7.076 0.030 1
849 130 73 HIS HE1 H 7.941 0.030 1
850 130 73 HIS C C 174.214 0.300 1
851 130 73 HIS CA C 59.692 0.300 1
852 130 73 HIS CB C 29.933 0.300 1
853 130 73 HIS CD2 C 119.397 0.300 1
854 130 73 HIS CE1 C 138.305 0.300 1
855 130 73 HIS N N 118.097 0.300 1
856 131 74 ALA H H 8.011 0.030 1
857 131 74 ALA HA H 4.197 0.030 1
858 131 74 ALA HB H 1.535 0.030 1
859 131 74 ALA C C 176.134 0.300 1
860 131 74 ALA CA C 54.840 0.300 1
861 131 74 ALA CB C 17.942 0.300 1
862 131 74 ALA N N 122.904 0.300 1
863 132 75 TRP H H 8.113 0.030 1
864 132 75 TRP HA H 4.243 0.030 1
865 132 75 TRP HB2 H 3.303 0.030 2
866 132 75 TRP HB3 H 3.532 0.030 2
867 132 75 TRP HD1 H 7.272 0.030 1
868 132 75 TRP HE1 H 10.250 0.030 1
869 132 75 TRP HE3 H 7.368 0.030 1
870 132 75 TRP HZ2 H 7.468 0.030 1
871 132 75 TRP HZ3 H 7.101 0.030 1
872 132 75 TRP HH2 H 7.255 0.030 1
873 132 75 TRP C C 173.394 0.300 1
874 132 75 TRP CA C 60.591 0.300 1
875 132 75 TRP CB C 28.257 0.300 1
876 132 75 TRP CD1 C 127.700 0.300 1
877 132 75 TRP CE3 C 120.407 0.300 1
878 132 75 TRP CZ2 C 114.683 0.300 1
879 132 75 TRP CZ3 C 121.898 0.300 1
880 132 75 TRP CH2 C 124.479 0.300 1
881 132 75 TRP N N 121.333 0.300 1
882 132 75 TRP NE1 N 130.329 0.300 1
883 133 76 LYS H H 8.532 0.030 1
884 133 76 LYS HA H 3.421 0.030 1
885 133 76 LYS HB2 H 1.456 0.030 2
886 133 76 LYS HB3 H 1.585 0.030 2
887 133 76 LYS HG2 H 1.138 0.030 2
888 133 76 LYS HG3 H 1.133 0.030 2
889 133 76 LYS HD2 H 1.497 0.030 2
890 133 76 LYS HD3 H 1.497 0.030 2
891 133 76 LYS HE2 H 2.887 0.030 2
892 133 76 LYS HE3 H 2.887 0.030 2
893 133 76 LYS CA C 58.007 0.300 1
894 133 76 LYS CB C 31.923 0.300 1
895 133 76 LYS CG C 24.228 0.300 1
896 133 76 LYS CD C 28.847 0.300 1
897 133 76 LYS CE C 42.000 0.300 1
898 133 76 LYS N N 120.741 0.300 1
899 134 77 SER H H 7.781 0.030 1
900 134 77 SER HA H 4.145 0.030 1
901 134 77 SER HB2 H 3.856 0.030 2
902 134 77 SER HB3 H 3.897 0.030 2
903 134 77 SER C C 177.387 0.300 1
904 134 77 SER CA C 60.146 0.300 1
905 134 77 SER CB C 63.235 0.300 1
906 134 77 SER N N 113.354 0.300 1
907 135 78 LYS H H 7.536 0.030 1
908 135 78 LYS HA H 4.137 0.030 1
909 135 78 LYS HB2 H 1.716 0.030 2
910 135 78 LYS HB3 H 1.770 0.030 2
911 135 78 LYS HG2 H 1.344 0.030 2
912 135 78 LYS HG3 H 1.414 0.030 2
913 135 78 LYS HD2 H 1.602 0.030 2
914 135 78 LYS HD3 H 1.560 0.030 2
915 135 78 LYS HE2 H 2.924 0.030 2
916 135 78 LYS HE3 H 2.924 0.030 2
917 135 78 LYS C C 174.830 0.300 1
918 135 78 LYS CA C 57.165 0.300 1
919 135 78 LYS CB C 32.787 0.300 1
920 135 78 LYS CG C 24.671 0.300 1
921 135 78 LYS CD C 29.116 0.300 1
922 135 78 LYS CE C 41.803 0.300 1
923 135 78 LYS N N 120.972 0.300 1
924 136 79 ASN H H 7.737 0.030 1
925 136 79 ASN HA H 4.491 0.030 1
926 136 79 ASN HB2 H 2.098 0.030 2
927 136 79 ASN HB3 H 2.483 0.030 2
928 136 79 ASN HD21 H 7.085 0.030 2
929 136 79 ASN HD22 H 6.582 0.030 2
930 136 79 ASN C C 175.845 0.300 1
931 136 79 ASN CA C 53.458 0.300 1
932 136 79 ASN CB C 38.855 0.300 1
933 136 79 ASN N N 117.788 0.300 1
934 136 79 ASN ND2 N 113.899 0.300 1
935 137 80 LYS H H 7.856 0.030 1
936 137 80 LYS HA H 4.179 0.030 1
937 137 80 LYS HB2 H 1.718 0.030 2
938 137 80 LYS HB3 H 1.776 0.030 2
939 137 80 LYS HG2 H 1.336 0.030 2
940 137 80 LYS HG3 H 1.336 0.030 2
941 137 80 LYS HD2 H 1.623 0.030 2
942 137 80 LYS HD3 H 1.623 0.030 2
943 137 80 LYS HE2 H 2.931 0.030 2
944 137 80 LYS HE3 H 2.931 0.030 2
945 137 80 LYS C C 175.343 0.300 1
946 137 80 LYS CA C 56.426 0.300 1
947 137 80 LYS CB C 32.711 0.300 1
948 137 80 LYS CG C 24.668 0.300 1
949 137 80 LYS CD C 28.878 0.300 1
950 137 80 LYS CE C 42.015 0.300 1
951 137 80 LYS N N 121.298 0.300 1
952 138 81 LYS H H 8.322 0.030 1
953 138 81 LYS HA H 4.259 0.030 1
954 138 81 LYS HB2 H 1.720 0.030 2
955 138 81 LYS HB3 H 1.817 0.030 2
956 138 81 LYS HG2 H 1.379 0.030 2
957 138 81 LYS HG3 H 1.379 0.030 2
958 138 81 LYS HD2 H 1.666 0.030 2
959 138 81 LYS HD3 H 1.666 0.030 2
960 138 81 LYS HE2 H 2.966 0.030 2
961 138 81 LYS HE3 H 2.966 0.030 2
962 138 81 LYS C C 172.827 0.300 1
963 138 81 LYS CA C 56.332 0.300 1
964 138 81 LYS CB C 32.913 0.300 1
965 138 81 LYS CG C 24.678 0.300 1
966 138 81 LYS CD C 29.046 0.300 1
967 138 81 LYS CE C 42.103 0.300 1
968 138 81 LYS N N 123.481 0.300 1
969 139 82 ARG H H 8.066 0.030 1
970 139 82 ARG HA H 4.112 0.030 1
971 139 82 ARG HB2 H 1.675 0.030 2
972 139 82 ARG HB3 H 1.803 0.030 2
973 139 82 ARG HG2 H 1.553 0.030 2
974 139 82 ARG HG3 H 1.553 0.030 2
975 139 82 ARG HD2 H 3.139 0.030 2
976 139 82 ARG HD3 H 3.139 0.030 2
977 139 82 ARG C C 178.201 0.300 1
978 139 82 ARG CA C 57.499 0.300 1
979 139 82 ARG CB C 31.367 0.300 1
980 139 82 ARG CG C 27.259 0.300 1
981 139 82 ARG CD C 43.381 0.300 1
982 139 82 ARG N N 128.274 0.300 1
stop_
save_