data_27436
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Backbone and side-chain resonance assignments of the methyl-CpG-binding domain of MBD6 from Arabidopsis thaliana
;
_BMRB_accession_number 27436
_BMRB_flat_file_name bmr27436.str
_Entry_type original
_Submission_date 2018-03-28
_Accession_date 2018-03-28
_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 Iwakawa Naoto . .
2 Mahana Yutaka . .
3 Ono Arina . .
4 Ohki Izuru . .
5 Walinda Erik . .
6 Morimoto Daichi . .
7 Sugase Kenji . .
8 Shirakawa Masahiro . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 402
"13C chemical shifts" 305
"15N chemical shifts" 64
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2019-04-25 update BMRB 'update entry citation'
2018-11-16 original author 'original release'
stop_
_Original_release_date 2018-03-29
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Backbone and side-chain resonance assignments of the methyl-CpG-binding domain of MBD6 from Arabidopsis thaliana
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 30242623
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Iwakawa Naoto . .
2 Mahana Yutaka . .
3 Ono Arina . .
4 Ohki Izuru . .
5 Walinda Erik . .
6 Morimoto Daichi . .
7 Sugase Kenji . .
8 Shirakawa Masahiro . .
stop_
_Journal_abbreviation 'Biomol. NMR Assignments'
_Journal_volume 13
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 59
_Page_last 62
_Year 2019
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name MBD6
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
MBD6 $AtMBD6
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_AtMBD6
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common AtMBD6
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 68
_Mol_residue_sequence
;
GPLGSDNWLPPGWRVEDKIR
TSGATAGSVDKYYYEPNTGR
KFRSRTEVLYYLEHGTSKRG
TKKAENTY
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 73 GLY 2 74 PRO 3 75 LEU 4 76 GLY 5 77 SER
6 78 ASP 7 79 ASN 8 80 TRP 9 81 LEU 10 82 PRO
11 83 PRO 12 84 GLY 13 85 TRP 14 86 ARG 15 87 VAL
16 88 GLU 17 89 ASP 18 90 LYS 19 91 ILE 20 92 ARG
21 93 THR 22 94 SER 23 95 GLY 24 96 ALA 25 97 THR
26 98 ALA 27 99 GLY 28 100 SER 29 101 VAL 30 102 ASP
31 103 LYS 32 104 TYR 33 105 TYR 34 106 TYR 35 107 GLU
36 108 PRO 37 109 ASN 38 110 THR 39 111 GLY 40 112 ARG
41 113 LYS 42 114 PHE 43 115 ARG 44 116 SER 45 117 ARG
46 118 THR 47 119 GLU 48 120 VAL 49 121 LEU 50 122 TYR
51 123 TYR 52 124 LEU 53 125 GLU 54 126 HIS 55 127 GLY
56 128 THR 57 129 SER 58 130 LYS 59 131 ARG 60 132 GLY
61 133 THR 62 134 LYS 63 135 LYS 64 136 ALA 65 137 GLU
66 138 ASN 67 139 THR 68 140 TYR
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
$AtMBD6 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana
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
$AtMBD6 'recombinant technology' . Escherichia coli . pGEX6p-1
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
$AtMBD6 5 mM '[U-100% 13C; U-100% 15N]'
D2O 5 % [U-2H]
H2O 95 % 'natural abundance'
'sodium chloride' 50 mM 'natural abundance'
'sodium phosphate' 20 mM '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
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_MagRO
_Saveframe_category software
_Name MagRO
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Kobayashi N, Iwahara J, Koshiba S, Tomizawa T, Tochio N, G ntert P, Kigawa T, Yokoyama S' . .
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
'chemical shift assignment'
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_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_HNCO_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HN(CA)CO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CA)CO'
_Sample_label $sample_1
save_
save_3D_HNCACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_CBCA(CO)NH_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D CBCA(CO)NH'
_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 6.5 . pH
pressure 1 . atm
temperature 293 . 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_
_Software_label
$MagRO
stop_
loop_
_Experiment_label
'2D 1H-15N HSQC'
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 MBD6
_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 74 2 PRO HA H 4.472 0.030 1
2 74 2 PRO HB2 H 1.935 0.030 2
3 74 2 PRO HB3 H 2.310 0.030 2
4 74 2 PRO HG2 H 2.007 0.030 1
5 74 2 PRO HG3 H 2.007 0.030 1
6 74 2 PRO HD2 H 3.569 0.030 1
7 74 2 PRO HD3 H 3.569 0.030 1
8 74 2 PRO C C 177.062 0.300 1
9 74 2 PRO CA C 63.111 0.300 1
10 74 2 PRO CB C 32.352 0.300 1
11 74 2 PRO CG C 26.985 0.300 1
12 74 2 PRO CD C 49.735 0.300 1
13 75 3 LEU H H 8.583 0.030 1
14 75 3 LEU HA H 4.359 0.030 1
15 75 3 LEU HB2 H 1.589 0.030 2
16 75 3 LEU HB3 H 1.682 0.030 2
17 75 3 LEU HG H 1.669 0.030 1
18 75 3 LEU HD1 H 0.930 0.030 2
19 75 3 LEU HD2 H 0.886 0.030 2
20 75 3 LEU C C 178.067 0.300 1
21 75 3 LEU CA C 55.416 0.300 1
22 75 3 LEU CB C 42.311 0.300 1
23 75 3 LEU CG C 27.000 0.300 1
24 75 3 LEU CD1 C 24.939 0.300 2
25 75 3 LEU CD2 C 23.443 0.300 2
26 75 3 LEU N N 122.393 0.300 1
27 76 4 GLY H H 8.485 0.030 1
28 76 4 GLY HA2 H 4.024 0.030 1
29 76 4 GLY HA3 H 4.024 0.030 1
30 76 4 GLY C C 174.571 0.300 1
31 76 4 GLY CA C 45.364 0.300 1
32 76 4 GLY N N 110.187 0.300 1
33 77 5 SER H H 8.309 0.030 1
34 77 5 SER HA H 4.451 0.030 1
35 77 5 SER HB2 H 3.864 0.030 2
36 77 5 SER HB3 H 3.926 0.030 2
37 77 5 SER C C 174.591 0.300 1
38 77 5 SER CA C 58.774 0.300 1
39 77 5 SER CB C 63.970 0.300 1
40 77 5 SER N N 115.733 0.300 1
41 78 6 ASP H H 8.527 0.030 1
42 78 6 ASP HA H 4.779 0.030 1
43 78 6 ASP HB2 H 2.556 0.030 2
44 78 6 ASP HB3 H 2.635 0.030 2
45 78 6 ASP C C 176.262 0.300 1
46 78 6 ASP CA C 54.450 0.300 1
47 78 6 ASP CB C 40.964 0.300 1
48 78 6 ASP N N 121.391 0.300 1
49 79 7 ASN H H 8.273 0.030 1
50 79 7 ASN HA H 4.567 0.030 1
51 79 7 ASN HB2 H 2.813 0.030 1
52 79 7 ASN HB3 H 2.813 0.030 1
53 79 7 ASN C C 174.427 0.300 1
54 79 7 ASN CA C 54.034 0.300 1
55 79 7 ASN CB C 38.139 0.300 1
56 79 7 ASN N N 119.089 0.300 1
57 80 8 TRP H H 7.307 0.030 1
58 80 8 TRP HA H 4.363 0.030 1
59 80 8 TRP HB2 H 3.002 0.030 2
60 80 8 TRP HB3 H 3.391 0.030 2
61 80 8 TRP HD1 H 7.429 0.030 1
62 80 8 TRP HE1 H 10.395 0.030 1
63 80 8 TRP HE3 H 7.116 0.030 1
64 80 8 TRP HZ2 H 7.223 0.030 1
65 80 8 TRP HZ3 H 6.349 0.030 1
66 80 8 TRP HH2 H 6.094 0.030 1
67 80 8 TRP C C 175.403 0.300 1
68 80 8 TRP CA C 55.776 0.300 1
69 80 8 TRP CB C 29.161 0.300 1
70 80 8 TRP CD1 C 127.424 0.300 1
71 80 8 TRP CE3 C 120.875 0.300 1
72 80 8 TRP CZ2 C 114.134 0.300 1
73 80 8 TRP CZ3 C 120.732 0.300 1
74 80 8 TRP CH2 C 124.235 0.300 1
75 80 8 TRP N N 118.387 0.300 1
76 80 8 TRP NE1 N 130.562 0.300 1
77 81 9 LEU H H 6.750 0.030 1
78 81 9 LEU HA H 3.528 0.030 1
79 81 9 LEU HB2 H 1.077 0.030 2
80 81 9 LEU HB3 H 0.486 0.030 2
81 81 9 LEU HG H 0.612 0.030 1
82 81 9 LEU HD1 H 0.455 0.030 1
83 81 9 LEU HD2 H 0.312 0.030 1
84 81 9 LEU C C 174.097 0.300 1
85 81 9 LEU CA C 52.612 0.300 1
86 81 9 LEU CB C 42.174 0.300 1
87 81 9 LEU CG C 26.080 0.300 1
88 81 9 LEU CD1 C 25.217 0.300 1
89 81 9 LEU CD2 C 25.217 0.300 1
90 81 9 LEU N N 125.310 0.300 1
91 82 10 PRO HA H 4.577 0.030 1
92 82 10 PRO HB2 H 1.793 0.030 2
93 82 10 PRO HB3 H 2.503 0.030 2
94 82 10 PRO HG2 H 1.533 0.030 2
95 82 10 PRO HG3 H 1.706 0.030 2
96 82 10 PRO HD2 H 2.096 0.030 2
97 82 10 PRO HD3 H 3.372 0.030 2
98 82 10 PRO CA C 61.453 0.300 1
99 82 10 PRO CB C 30.005 0.300 1
100 82 10 PRO CG C 27.755 0.300 1
101 82 10 PRO CD C 49.943 0.300 1
102 83 11 PRO HA H 4.401 0.030 1
103 83 11 PRO HB2 H 1.933 0.030 2
104 83 11 PRO HB3 H 2.369 0.030 2
105 83 11 PRO HG2 H 2.144 0.030 2
106 83 11 PRO HG3 H 2.052 0.030 2
107 83 11 PRO HD2 H 3.626 0.030 2
108 83 11 PRO HD3 H 3.841 0.030 2
109 83 11 PRO C C 178.055 0.300 1
110 83 11 PRO CA C 63.769 0.300 1
111 83 11 PRO CB C 31.921 0.300 1
112 83 11 PRO CG C 27.821 0.300 1
113 83 11 PRO CD C 50.505 0.300 1
114 84 12 GLY H H 8.857 0.030 1
115 84 12 GLY HA2 H 3.700 0.030 2
116 84 12 GLY HA3 H 4.348 0.030 2
117 84 12 GLY C C 175.386 0.300 1
118 84 12 GLY CA C 45.447 0.300 1
119 84 12 GLY N N 111.219 0.300 1
120 85 13 TRP H H 7.650 0.030 1
121 85 13 TRP HA H 4.588 0.030 1
122 85 13 TRP HB2 H 3.181 0.030 2
123 85 13 TRP HB3 H 3.122 0.030 2
124 85 13 TRP HD1 H 7.150 0.030 1
125 85 13 TRP HE3 H 7.368 0.030 1
126 85 13 TRP HZ2 H 7.628 0.030 1
127 85 13 TRP HZ3 H 6.786 0.030 1
128 85 13 TRP HH2 H 6.677 0.030 1
129 85 13 TRP C C 175.670 0.300 1
130 85 13 TRP CA C 59.218 0.300 1
131 85 13 TRP CB C 29.381 0.300 1
132 85 13 TRP CD1 C 126.862 0.300 1
133 85 13 TRP CE3 C 120.052 0.300 1
134 85 13 TRP CZ2 C 114.026 0.300 1
135 85 13 TRP CZ3 C 122.204 0.300 1
136 85 13 TRP CH2 C 124.015 0.300 1
137 85 13 TRP N N 121.608 0.300 1
138 86 14 ARG H H 8.454 0.030 1
139 86 14 ARG HA H 4.919 0.030 1
140 86 14 ARG HB2 H 1.774 0.030 2
141 86 14 ARG HB3 H 1.888 0.030 2
142 86 14 ARG HG2 H 1.629 0.030 2
143 86 14 ARG HG3 H 1.534 0.030 2
144 86 14 ARG HD2 H 3.083 0.030 2
145 86 14 ARG HD3 H 3.181 0.030 2
146 86 14 ARG C C 174.397 0.300 1
147 86 14 ARG CA C 54.741 0.300 1
148 86 14 ARG CB C 34.008 0.300 1
149 86 14 ARG CG C 27.966 0.300 1
150 86 14 ARG CD C 43.336 0.300 1
151 86 14 ARG N N 121.316 0.300 1
152 87 15 VAL H H 8.625 0.030 1
153 87 15 VAL HA H 5.110 0.030 1
154 87 15 VAL HB H 1.917 0.030 1
155 87 15 VAL HG1 H 0.790 0.030 2
156 87 15 VAL HG2 H 0.879 0.030 2
157 87 15 VAL C C 175.446 0.300 1
158 87 15 VAL CA C 60.344 0.300 1
159 87 15 VAL CB C 34.231 0.300 1
160 87 15 VAL CG1 C 20.869 0.300 2
161 87 15 VAL CG2 C 21.829 0.300 2
162 87 15 VAL N N 122.411 0.300 1
163 88 16 GLU H H 9.107 0.030 1
164 88 16 GLU HA H 4.670 0.030 1
165 88 16 GLU HB2 H 2.121 0.030 2
166 88 16 GLU HB3 H 1.865 0.030 2
167 88 16 GLU HG2 H 2.208 0.030 2
168 88 16 GLU HG3 H 2.170 0.030 2
169 88 16 GLU C C 173.991 0.300 1
170 88 16 GLU CA C 54.739 0.300 1
171 88 16 GLU CB C 34.367 0.300 1
172 88 16 GLU CG C 36.280 0.300 1
173 88 16 GLU N N 127.908 0.300 1
174 89 17 ASP H H 8.572 0.030 1
175 89 17 ASP HA H 4.991 0.030 1
176 89 17 ASP HB2 H 2.422 0.030 2
177 89 17 ASP HB3 H 2.534 0.030 2
178 89 17 ASP C C 176.172 0.300 1
179 89 17 ASP CA C 53.723 0.300 1
180 89 17 ASP CB C 41.743 0.300 1
181 89 17 ASP N N 124.685 0.300 1
182 90 18 LYS H H 8.791 0.030 1
183 90 18 LYS HA H 4.470 0.030 1
184 90 18 LYS HB2 H 1.604 0.030 2
185 90 18 LYS HB3 H 1.782 0.030 2
186 90 18 LYS HG2 H 1.209 0.030 2
187 90 18 LYS HG3 H 1.252 0.030 2
188 90 18 LYS HD2 H 1.569 0.030 1
189 90 18 LYS HD3 H 1.569 0.030 1
190 90 18 LYS HE2 H 2.840 0.030 1
191 90 18 LYS HE3 H 2.840 0.030 1
192 90 18 LYS C C 175.812 0.300 1
193 90 18 LYS CA C 55.560 0.300 1
194 90 18 LYS CB C 33.946 0.300 1
195 90 18 LYS CG C 24.682 0.300 1
196 90 18 LYS CD C 29.020 0.300 1
197 90 18 LYS CE C 42.050 0.300 1
198 90 18 LYS N N 123.373 0.300 1
199 91 19 ILE H H 8.489 0.030 1
200 91 19 ILE HA H 4.232 0.030 1
201 91 19 ILE HB H 1.788 0.030 1
202 91 19 ILE HG12 H 1.512 0.030 2
203 91 19 ILE HG13 H 1.152 0.030 2
204 91 19 ILE HG2 H 0.857 0.030 1
205 91 19 ILE HD1 H 0.842 0.030 1
206 91 19 ILE C C 176.427 0.300 1
207 91 19 ILE CA C 61.313 0.300 1
208 91 19 ILE CB C 38.579 0.300 1
209 91 19 ILE CG1 C 28.089 0.300 1
210 91 19 ILE CG2 C 17.440 0.300 1
211 91 19 ILE CD1 C 12.939 0.300 1
212 91 19 ILE N N 125.011 0.300 1
213 92 20 ARG H H 8.766 0.030 1
214 92 20 ARG HA H 4.492 0.030 1
215 92 20 ARG HB2 H 1.858 0.030 1
216 92 20 ARG HB3 H 1.858 0.030 1
217 92 20 ARG HG2 H 1.659 0.030 1
218 92 20 ARG HG3 H 1.659 0.030 1
219 92 20 ARG HD2 H 3.162 0.030 1
220 92 20 ARG HD3 H 3.162 0.030 1
221 92 20 ARG C C 177.395 0.300 1
222 92 20 ARG CA C 56.199 0.300 1
223 92 20 ARG CB C 30.811 0.300 1
224 92 20 ARG CG C 27.297 0.300 1
225 92 20 ARG CD C 43.335 0.300 1
226 92 20 ARG N N 127.182 0.300 1
227 93 21 THR H H 8.600 0.030 1
228 93 21 THR HA H 4.436 0.030 1
229 93 21 THR HB H 4.377 0.030 1
230 93 21 THR HG2 H 1.206 0.030 1
231 93 21 THR C C 174.425 0.300 1
232 93 21 THR CA C 61.974 0.300 1
233 93 21 THR CB C 69.769 0.300 1
234 93 21 THR CG2 C 21.709 0.300 1
235 93 21 THR N N 115.829 0.300 1
236 94 22 SER H H 8.056 0.030 1
237 94 22 SER HA H 4.623 0.030 1
238 94 22 SER HB2 H 3.860 0.030 2
239 94 22 SER HB3 H 3.892 0.030 2
240 94 22 SER C C 174.497 0.300 1
241 94 22 SER CA C 57.999 0.300 1
242 94 22 SER CB C 64.654 0.300 1
243 94 22 SER N N 116.293 0.300 1
244 95 23 GLY H H 8.594 0.030 1
245 95 23 GLY HA2 H 3.913 0.030 2
246 95 23 GLY HA3 H 4.170 0.030 2
247 95 23 GLY C C 174.594 0.300 1
248 95 23 GLY CA C 45.156 0.300 1
249 95 23 GLY N N 109.938 0.300 1
250 96 24 ALA H H 8.475 0.030 1
251 96 24 ALA HA H 4.298 0.030 1
252 96 24 ALA HB H 1.453 0.030 1
253 96 24 ALA C C 178.623 0.300 1
254 96 24 ALA CA C 53.608 0.300 1
255 96 24 ALA CB C 19.237 0.300 1
256 96 24 ALA N N 123.235 0.300 1
257 97 25 THR H H 8.154 0.030 1
258 97 25 THR HA H 4.436 0.030 1
259 97 25 THR HB H 4.367 0.030 1
260 97 25 THR HG2 H 1.198 0.030 1
261 97 25 THR C C 174.320 0.300 1
262 97 25 THR CA C 60.935 0.300 1
263 97 25 THR CB C 69.095 0.300 1
264 97 25 THR CG2 C 21.679 0.300 1
265 97 25 THR N N 109.686 0.300 1
266 98 26 ALA H H 7.885 0.030 1
267 98 26 ALA HA H 4.018 0.030 1
268 98 26 ALA HB H 1.312 0.030 1
269 98 26 ALA C C 178.119 0.300 1
270 98 26 ALA CA C 53.392 0.300 1
271 98 26 ALA CB C 18.531 0.300 1
272 98 26 ALA N N 125.838 0.300 1
273 99 27 GLY H H 8.671 0.030 1
274 99 27 GLY HA2 H 3.772 0.030 2
275 99 27 GLY HA3 H 4.236 0.030 2
276 99 27 GLY C C 174.388 0.300 1
277 99 27 GLY CA C 45.167 0.300 1
278 99 27 GLY N N 109.995 0.300 1
279 100 28 SER H H 8.131 0.030 1
280 100 28 SER HA H 4.552 0.030 1
281 100 28 SER HB2 H 3.927 0.030 1
282 100 28 SER HB3 H 3.927 0.030 1
283 100 28 SER C C 173.271 0.300 1
284 100 28 SER CA C 58.605 0.300 1
285 100 28 SER CB C 64.138 0.300 1
286 100 28 SER N N 116.027 0.300 1
287 101 29 VAL H H 8.337 0.030 1
288 101 29 VAL HA H 4.410 0.030 1
289 101 29 VAL HB H 2.004 0.030 1
290 101 29 VAL HG1 H 0.902 0.030 2
291 101 29 VAL HG2 H 0.842 0.030 2
292 101 29 VAL C C 175.714 0.300 1
293 101 29 VAL CA C 61.840 0.300 1
294 101 29 VAL CB C 33.585 0.300 1
295 101 29 VAL CG1 C 20.721 0.300 2
296 101 29 VAL CG2 C 21.432 0.300 2
297 101 29 VAL N N 120.566 0.300 1
298 102 30 ASP H H 8.674 0.030 1
299 102 30 ASP HA H 4.839 0.030 1
300 102 30 ASP HB2 H 2.573 0.030 1
301 102 30 ASP HB3 H 2.573 0.030 1
302 102 30 ASP C C 174.258 0.300 1
303 102 30 ASP CA C 53.882 0.300 1
304 102 30 ASP CB C 42.956 0.300 1
305 102 30 ASP N N 126.215 0.300 1
306 103 31 LYS H H 8.154 0.030 1
307 103 31 LYS HA H 4.918 0.030 1
308 103 31 LYS HB2 H 1.540 0.030 2
309 103 31 LYS HB3 H 1.359 0.030 2
310 103 31 LYS HG2 H 1.289 0.030 1
311 103 31 LYS HG3 H 1.289 0.030 1
312 103 31 LYS HD2 H 1.594 0.030 1
313 103 31 LYS HD3 H 1.594 0.030 1
314 103 31 LYS HE2 H 2.915 0.030 2
315 103 31 LYS HE3 H 2.964 0.030 2
316 103 31 LYS C C 175.002 0.300 1
317 103 31 LYS CA C 55.237 0.300 1
318 103 31 LYS CB C 35.065 0.300 1
319 103 31 LYS CG C 24.853 0.300 1
320 103 31 LYS CD C 29.115 0.300 1
321 103 31 LYS CE C 42.132 0.300 1
322 103 31 LYS N N 121.516 0.300 1
323 104 32 TYR H H 8.560 0.030 1
324 104 32 TYR HA H 5.045 0.030 1
325 104 32 TYR HB2 H 2.802 0.030 2
326 104 32 TYR HB3 H 2.566 0.030 2
327 104 32 TYR HD1 H 6.994 0.030 1
328 104 32 TYR HD2 H 6.994 0.030 1
329 104 32 TYR HE1 H 6.748 0.030 1
330 104 32 TYR HE2 H 6.748 0.030 1
331 104 32 TYR C C 173.750 0.300 1
332 104 32 TYR CA C 55.603 0.300 1
333 104 32 TYR CB C 41.905 0.300 1
334 104 32 TYR CD1 C 132.836 0.300 1
335 104 32 TYR CD2 C 132.836 0.300 1
336 104 32 TYR CE1 C 118.038 0.300 1
337 104 32 TYR CE2 C 118.038 0.300 1
338 104 32 TYR N N 118.915 0.300 1
339 105 33 TYR H H 8.660 0.030 1
340 105 33 TYR HA H 5.510 0.030 1
341 105 33 TYR HB2 H 3.168 0.030 2
342 105 33 TYR HB3 H 2.912 0.030 2
343 105 33 TYR HD1 H 6.923 0.030 1
344 105 33 TYR HD2 H 6.923 0.030 1
345 105 33 TYR HE1 H 6.678 0.030 1
346 105 33 TYR HE2 H 6.678 0.030 1
347 105 33 TYR C C 175.596 0.300 1
348 105 33 TYR CA C 56.470 0.300 1
349 105 33 TYR CB C 42.040 0.300 1
350 105 33 TYR CD1 C 133.543 0.300 1
351 105 33 TYR CD2 C 133.543 0.300 1
352 105 33 TYR CE1 C 117.770 0.300 1
353 105 33 TYR CE2 C 117.770 0.300 1
354 105 33 TYR N N 118.388 0.300 1
355 106 34 TYR H H 9.583 0.030 1
356 106 34 TYR HA H 5.428 0.030 1
357 106 34 TYR HB2 H 2.659 0.030 2
358 106 34 TYR HB3 H 2.703 0.030 2
359 106 34 TYR HD1 H 6.889 0.030 1
360 106 34 TYR HD2 H 6.889 0.030 1
361 106 34 TYR HE1 H 6.633 0.030 1
362 106 34 TYR HE2 H 6.633 0.030 1
363 106 34 TYR C C 174.634 0.300 1
364 106 34 TYR CA C 56.562 0.300 1
365 106 34 TYR CB C 41.275 0.300 1
366 106 34 TYR CD1 C 133.038 0.300 1
367 106 34 TYR CD2 C 133.038 0.300 1
368 106 34 TYR CE1 C 118.033 0.300 1
369 106 34 TYR CE2 C 118.033 0.300 1
370 106 34 TYR N N 120.683 0.300 1
371 107 35 GLU H H 8.204 0.030 1
372 107 35 GLU HA H 2.355 0.030 1
373 107 35 GLU HB2 H 1.822 0.030 2
374 107 35 GLU HB3 H 0.980 0.030 2
375 107 35 GLU HG2 H 2.295 0.030 2
376 107 35 GLU HG3 H 1.888 0.030 2
377 107 35 GLU C C 174.604 0.300 1
378 107 35 GLU CA C 52.551 0.300 1
379 107 35 GLU CB C 31.438 0.300 1
380 107 35 GLU CG C 35.600 0.300 1
381 107 35 GLU N N 128.482 0.300 1
382 108 36 PRO HA H 4.096 0.030 1
383 108 36 PRO HB2 H 1.815 0.030 2
384 108 36 PRO HB3 H 2.108 0.030 2
385 108 36 PRO HG2 H 1.712 0.030 2
386 108 36 PRO HG3 H 1.911 0.030 2
387 108 36 PRO HD2 H 2.807 0.030 2
388 108 36 PRO HD3 H 2.388 0.030 2
389 108 36 PRO C C 178.469 0.300 1
390 108 36 PRO CA C 63.810 0.300 1
391 108 36 PRO CB C 31.657 0.300 1
392 108 36 PRO CG C 27.015 0.300 1
393 108 36 PRO CD C 49.711 0.300 1
394 109 37 ASN H H 8.926 0.030 1
395 109 37 ASN HA H 4.277 0.030 1
396 109 37 ASN HB2 H 2.824 0.030 2
397 109 37 ASN HB3 H 3.176 0.030 2
398 109 37 ASN C C 176.878 0.300 1
399 109 37 ASN CA C 57.208 0.300 1
400 109 37 ASN CB C 38.230 0.300 1
401 109 37 ASN N N 116.344 0.300 1
402 110 38 THR H H 8.404 0.030 1
403 110 38 THR HA H 4.292 0.030 1
404 110 38 THR HB H 4.256 0.030 1
405 110 38 THR HG2 H 1.221 0.030 1
406 110 38 THR C C 176.933 0.300 1
407 110 38 THR CA C 62.122 0.300 1
408 110 38 THR CB C 70.030 0.300 1
409 110 38 THR CG2 C 21.148 0.300 1
410 110 38 THR N N 110.529 0.300 1
411 111 39 GLY H H 7.872 0.030 1
412 111 39 GLY HA2 H 3.724 0.030 2
413 111 39 GLY HA3 H 4.085 0.030 2
414 111 39 GLY C C 174.026 0.300 1
415 111 39 GLY CA C 45.856 0.300 1
416 111 39 GLY N N 110.629 0.300 1
417 112 40 ARG H H 7.963 0.030 1
418 112 40 ARG HA H 3.896 0.030 1
419 112 40 ARG HB2 H 1.494 0.030 2
420 112 40 ARG HB3 H 1.624 0.030 2
421 112 40 ARG HG2 H 1.076 0.030 2
422 112 40 ARG HG3 H 1.471 0.030 2
423 112 40 ARG HD2 H 3.078 0.030 2
424 112 40 ARG HD3 H 2.873 0.030 2
425 112 40 ARG HH11 H 8.582 0.030 1
426 112 40 ARG HH12 H 8.582 0.030 1
427 112 40 ARG C C 174.320 0.300 1
428 112 40 ARG CA C 57.627 0.300 1
429 112 40 ARG CB C 30.830 0.300 1
430 112 40 ARG CG C 27.380 0.300 1
431 112 40 ARG CD C 43.529 0.300 1
432 112 40 ARG N N 121.402 0.300 1
433 113 41 LYS H H 7.889 0.030 1
434 113 41 LYS HA H 4.908 0.030 1
435 113 41 LYS HB2 H 1.372 0.030 2
436 113 41 LYS HB3 H 1.406 0.030 2
437 113 41 LYS HG2 H 0.808 0.030 2
438 113 41 LYS HG3 H 0.878 0.030 2
439 113 41 LYS HD2 H 1.189 0.030 2
440 113 41 LYS HD3 H 1.269 0.030 2
441 113 41 LYS HE2 H 2.469 0.030 1
442 113 41 LYS HE3 H 2.469 0.030 1
443 113 41 LYS C C 175.449 0.300 1
444 113 41 LYS CA C 54.892 0.300 1
445 113 41 LYS CB C 35.606 0.300 1
446 113 41 LYS CG C 24.278 0.300 1
447 113 41 LYS CD C 29.749 0.300 1
448 113 41 LYS CE C 41.622 0.300 1
449 113 41 LYS N N 123.408 0.300 1
450 114 42 PHE H H 9.465 0.030 1
451 114 42 PHE HA H 4.890 0.030 1
452 114 42 PHE HB2 H 3.036 0.030 2
453 114 42 PHE HB3 H 3.253 0.030 2
454 114 42 PHE HD1 H 7.335 0.030 1
455 114 42 PHE HD2 H 7.335 0.030 1
456 114 42 PHE HE1 H 6.936 0.030 1
457 114 42 PHE HE2 H 6.936 0.030 1
458 114 42 PHE HZ H 5.846 0.030 1
459 114 42 PHE C C 176.405 0.300 1
460 114 42 PHE CA C 56.735 0.300 1
461 114 42 PHE CB C 43.957 0.300 1
462 114 42 PHE CD1 C 132.293 0.300 1
463 114 42 PHE CD2 C 132.293 0.300 1
464 114 42 PHE CE1 C 131.259 0.300 1
465 114 42 PHE CE2 C 131.259 0.300 1
466 114 42 PHE CZ C 129.551 0.300 1
467 114 42 PHE N N 122.918 0.300 1
468 115 43 ARG H H 9.224 0.030 1
469 115 43 ARG HA H 4.776 0.030 1
470 115 43 ARG HB2 H 1.914 0.030 2
471 115 43 ARG HB3 H 2.129 0.030 2
472 115 43 ARG HG2 H 1.537 0.030 2
473 115 43 ARG HG3 H 1.698 0.030 2
474 115 43 ARG HD2 H 3.221 0.030 1
475 115 43 ARG HD3 H 3.221 0.030 1
476 115 43 ARG C C 175.471 0.300 1
477 115 43 ARG CA C 56.531 0.300 1
478 115 43 ARG CB C 31.626 0.300 1
479 115 43 ARG CG C 27.733 0.300 1
480 115 43 ARG CD C 43.185 0.300 1
481 115 43 ARG N N 118.678 0.300 1
482 116 44 SER H H 7.539 0.030 1
483 116 44 SER HA H 5.044 0.030 1
484 116 44 SER HB2 H 4.095 0.030 2
485 116 44 SER HB3 H 4.289 0.030 2
486 116 44 SER C C 173.405 0.300 1
487 116 44 SER CA C 57.191 0.300 1
488 116 44 SER CB C 66.619 0.300 1
489 116 44 SER N N 109.230 0.300 1
490 117 45 ARG H H 9.063 0.030 1
491 117 45 ARG HA H 3.330 0.030 1
492 117 45 ARG HB2 H 1.515 0.030 2
493 117 45 ARG HB3 H 1.301 0.030 2
494 117 45 ARG HG2 H 0.782 0.030 2
495 117 45 ARG HG3 H 0.027 0.030 2
496 117 45 ARG HD2 H 2.259 0.030 2
497 117 45 ARG HD3 H 2.555 0.030 2
498 117 45 ARG C C 177.273 0.300 1
499 117 45 ARG CA C 58.978 0.300 1
500 117 45 ARG CB C 30.028 0.300 1
501 117 45 ARG CG C 26.184 0.300 1
502 117 45 ARG CD C 43.257 0.300 1
503 117 45 ARG N N 123.704 0.300 1
504 118 46 THR H H 8.008 0.030 1
505 118 46 THR HA H 3.686 0.030 1
506 118 46 THR HB H 4.037 0.030 1
507 118 46 THR HG2 H 1.194 0.030 1
508 118 46 THR C C 176.843 0.300 1
509 118 46 THR CA C 66.466 0.300 1
510 118 46 THR CB C 68.593 0.300 1
511 118 46 THR CG2 C 21.937 0.300 1
512 118 46 THR N N 112.908 0.300 1
513 119 47 GLU H H 7.765 0.030 1
514 119 47 GLU HA H 4.131 0.030 1
515 119 47 GLU HB2 H 2.353 0.030 2
516 119 47 GLU HB3 H 2.491 0.030 2
517 119 47 GLU HG2 H 2.516 0.030 2
518 119 47 GLU HG3 H 2.435 0.030 2
519 119 47 GLU C C 179.671 0.300 1
520 119 47 GLU CA C 59.630 0.300 1
521 119 47 GLU CB C 31.190 0.300 1
522 119 47 GLU CG C 37.304 0.300 1
523 119 47 GLU N N 121.184 0.300 1
524 120 48 VAL H H 7.649 0.030 1
525 120 48 VAL HA H 2.944 0.030 1
526 120 48 VAL HB H 1.926 0.030 1
527 120 48 VAL HG1 H 0.101 0.030 2
528 120 48 VAL HG2 H 0.688 0.030 2
529 120 48 VAL C C 177.147 0.300 1
530 120 48 VAL CA C 66.835 0.300 1
531 120 48 VAL CB C 31.538 0.300 1
532 120 48 VAL CG1 C 20.604 0.300 2
533 120 48 VAL CG2 C 23.450 0.300 2
534 120 48 VAL N N 121.046 0.300 1
535 121 49 LEU H H 8.308 0.030 1
536 121 49 LEU HA H 3.851 0.030 1
537 121 49 LEU HB2 H 1.410 0.030 2
538 121 49 LEU HB3 H 1.671 0.030 2
539 121 49 LEU HG H 1.517 0.030 1
540 121 49 LEU HD1 H 0.736 0.030 2
541 121 49 LEU HD2 H 0.583 0.030 2
542 121 49 LEU C C 179.738 0.300 1
543 121 49 LEU CA C 58.151 0.300 1
544 121 49 LEU CB C 40.805 0.300 1
545 121 49 LEU CG C 26.806 0.300 1
546 121 49 LEU CD1 C 22.526 0.300 2
547 121 49 LEU CD2 C 25.441 0.300 2
548 121 49 LEU N N 117.979 0.300 1
549 122 50 TYR H H 8.109 0.030 1
550 122 50 TYR HA H 4.244 0.030 1
551 122 50 TYR HB2 H 3.164 0.030 1
552 122 50 TYR HB3 H 3.164 0.030 1
553 122 50 TYR HD1 H 7.211 0.030 1
554 122 50 TYR HD2 H 7.211 0.030 1
555 122 50 TYR HE1 H 6.650 0.030 1
556 122 50 TYR HE2 H 6.650 0.030 1
557 122 50 TYR C C 178.322 0.300 1
558 122 50 TYR CA C 62.174 0.300 1
559 122 50 TYR CB C 38.443 0.300 1
560 122 50 TYR CD1 C 133.483 0.300 1
561 122 50 TYR CD2 C 133.483 0.300 1
562 122 50 TYR CE1 C 118.005 0.300 1
563 122 50 TYR CE2 C 118.005 0.300 1
564 122 50 TYR N N 119.827 0.300 1
565 123 51 TYR H H 7.935 0.030 1
566 123 51 TYR HA H 4.441 0.030 1
567 123 51 TYR HB2 H 3.114 0.030 2
568 123 51 TYR HB3 H 3.347 0.030 2
569 123 51 TYR HD1 H 7.119 0.030 1
570 123 51 TYR HD2 H 7.119 0.030 1
571 123 51 TYR HE1 H 7.058 0.030 1
572 123 51 TYR HE2 H 7.058 0.030 1
573 123 51 TYR C C 178.727 0.300 1
574 123 51 TYR CA C 60.774 0.300 1
575 123 51 TYR CB C 38.883 0.300 1
576 123 51 TYR CD1 C 133.318 0.300 1
577 123 51 TYR CD2 C 133.318 0.300 1
578 123 51 TYR CE1 C 118.551 0.300 1
579 123 51 TYR CE2 C 118.551 0.300 1
580 123 51 TYR N N 121.606 0.300 1
581 124 52 LEU H H 8.690 0.030 1
582 124 52 LEU HA H 3.833 0.030 1
583 124 52 LEU HB2 H 1.403 0.030 2
584 124 52 LEU HB3 H 1.806 0.030 2
585 124 52 LEU HG H 1.870 0.030 1
586 124 52 LEU HD1 H 0.964 0.030 2
587 124 52 LEU HD2 H 0.627 0.030 2
588 124 52 LEU C C 179.099 0.300 1
589 124 52 LEU CA C 57.342 0.300 1
590 124 52 LEU CB C 41.636 0.300 1
591 124 52 LEU CG C 26.547 0.300 1
592 124 52 LEU CD1 C 22.471 0.300 2
593 124 52 LEU CD2 C 26.173 0.300 2
594 124 52 LEU N N 119.989 0.300 1
595 125 53 GLU H H 7.678 0.030 1
596 125 53 GLU HA H 4.007 0.030 1
597 125 53 GLU HB2 H 1.838 0.030 2
598 125 53 GLU HB3 H 1.551 0.030 2
599 125 53 GLU HG2 H 1.631 0.030 2
600 125 53 GLU HG3 H 2.025 0.030 2
601 125 53 GLU C C 177.409 0.300 1
602 125 53 GLU CA C 57.945 0.300 1
603 125 53 GLU CB C 30.299 0.300 1
604 125 53 GLU CG C 35.860 0.300 1
605 125 53 GLU N N 117.116 0.300 1
606 126 54 HIS H H 8.029 0.030 1
607 126 54 HIS HA H 4.539 0.030 1
608 126 54 HIS HB2 H 2.591 0.030 2
609 126 54 HIS HB3 H 3.113 0.030 2
610 126 54 HIS HD2 H 6.448 0.030 1
611 126 54 HIS HE1 H 8.051 0.030 1
612 126 54 HIS C C 175.866 0.300 1
613 126 54 HIS CA C 56.774 0.300 1
614 126 54 HIS CB C 30.142 0.300 1
615 126 54 HIS CD2 C 120.671 0.300 1
616 126 54 HIS CE1 C 137.096 0.300 1
617 126 54 HIS N N 114.732 0.300 1
618 127 55 GLY H H 8.428 0.030 1
619 127 55 GLY HA2 H 3.926 0.030 2
620 127 55 GLY HA3 H 3.851 0.030 2
621 127 55 GLY C C 174.114 0.300 1
622 127 55 GLY CA C 45.845 0.300 1
623 127 55 GLY N N 109.940 0.300 1
624 128 56 THR H H 7.931 0.030 1
625 128 56 THR HA H 4.533 0.030 1
626 128 56 THR HB H 4.364 0.030 1
627 128 56 THR HG2 H 1.250 0.030 1
628 128 56 THR C C 174.372 0.300 1
629 128 56 THR CA C 61.300 0.300 1
630 128 56 THR CB C 69.885 0.300 1
631 128 56 THR CG2 C 21.264 0.300 1
632 128 56 THR N N 112.509 0.300 1
633 129 57 SER H H 8.409 0.030 1
634 129 57 SER HA H 4.611 0.030 1
635 129 57 SER HB2 H 3.930 0.030 2
636 129 57 SER HB3 H 3.963 0.030 2
637 129 57 SER C C 174.795 0.300 1
638 129 57 SER CA C 58.634 0.300 1
639 129 57 SER CB C 64.037 0.300 1
640 129 57 SER N N 117.619 0.300 1
641 130 58 LYS H H 8.490 0.030 1
642 130 58 LYS HA H 4.244 0.030 1
643 130 58 LYS HB2 H 1.794 0.030 2
644 130 58 LYS HB3 H 1.642 0.030 2
645 130 58 LYS HG2 H 1.371 0.030 1
646 130 58 LYS HG3 H 1.371 0.030 1
647 130 58 LYS HD2 H 1.636 0.030 1
648 130 58 LYS HD3 H 1.636 0.030 1
649 130 58 LYS HE2 H 2.970 0.030 1
650 130 58 LYS HE3 H 2.970 0.030 1
651 130 58 LYS C C 176.737 0.300 1
652 130 58 LYS CA C 56.554 0.300 1
653 130 58 LYS CB C 32.737 0.300 1
654 130 58 LYS CG C 24.778 0.300 1
655 130 58 LYS CD C 29.113 0.300 1
656 130 58 LYS CE C 42.164 0.300 1
657 130 58 LYS N N 123.804 0.300 1
658 131 59 ARG H H 8.405 0.030 1
659 131 59 ARG HA H 4.332 0.030 1
660 131 59 ARG HB2 H 1.862 0.030 2
661 131 59 ARG HB3 H 1.762 0.030 2
662 131 59 ARG HG2 H 1.613 0.030 1
663 131 59 ARG HG3 H 1.613 0.030 1
664 131 59 ARG HD2 H 3.162 0.030 1
665 131 59 ARG HD3 H 3.162 0.030 1
666 131 59 ARG C C 176.910 0.300 1
667 131 59 ARG CA C 56.383 0.300 1
668 131 59 ARG CB C 30.844 0.300 1
669 131 59 ARG CG C 27.163 0.300 1
670 131 59 ARG CD C 43.394 0.300 1
671 131 59 ARG N N 122.807 0.300 1
672 132 60 GLY H H 8.494 0.030 1
673 132 60 GLY HA2 H 3.986 0.030 2
674 132 60 GLY HA3 H 4.025 0.030 2
675 132 60 GLY C C 174.314 0.300 1
676 132 60 GLY CA C 45.336 0.300 1
677 132 60 GLY N N 110.354 0.300 1
678 133 61 THR H H 8.112 0.030 1
679 133 61 THR HA H 4.331 0.030 1
680 133 61 THR HB H 4.199 0.030 1
681 133 61 THR HG2 H 1.191 0.030 1
682 133 61 THR C C 174.589 0.300 1
683 133 61 THR CA C 61.867 0.300 1
684 133 61 THR CB C 70.043 0.300 1
685 133 61 THR CG2 C 21.705 0.300 1
686 133 61 THR N N 113.937 0.300 1
687 134 62 LYS H H 8.411 0.030 1
688 134 62 LYS HA H 4.314 0.030 1
689 134 62 LYS HB2 H 1.811 0.030 2
690 134 62 LYS HB3 H 1.745 0.030 2
691 134 62 LYS HG2 H 1.419 0.030 1
692 134 62 LYS HG3 H 1.419 0.030 1
693 134 62 LYS HD2 H 1.664 0.030 1
694 134 62 LYS HD3 H 1.664 0.030 1
695 134 62 LYS HE2 H 2.978 0.030 1
696 134 62 LYS HE3 H 2.978 0.030 1
697 134 62 LYS C C 176.422 0.300 1
698 134 62 LYS CA C 56.383 0.300 1
699 134 62 LYS CB C 33.164 0.300 1
700 134 62 LYS CG C 24.732 0.300 1
701 134 62 LYS CD C 29.150 0.300 1
702 134 62 LYS CE C 42.161 0.300 1
703 134 62 LYS N N 124.294 0.300 1
704 135 63 LYS H H 8.434 0.030 1
705 135 63 LYS HA H 4.256 0.030 1
706 135 63 LYS HB2 H 1.815 0.030 2
707 135 63 LYS HB3 H 1.728 0.030 2
708 135 63 LYS HG2 H 1.414 0.030 1
709 135 63 LYS HG3 H 1.414 0.030 1
710 135 63 LYS HD2 H 1.656 0.030 1
711 135 63 LYS HD3 H 1.656 0.030 1
712 135 63 LYS HE2 H 2.977 0.030 1
713 135 63 LYS HE3 H 2.977 0.030 1
714 135 63 LYS C C 176.289 0.300 1
715 135 63 LYS CA C 56.455 0.300 1
716 135 63 LYS CB C 33.185 0.300 1
717 135 63 LYS CG C 24.735 0.300 1
718 135 63 LYS CD C 29.141 0.300 1
719 135 63 LYS CE C 42.238 0.300 1
720 135 63 LYS N N 124.008 0.300 1
721 136 64 ALA H H 8.439 0.030 1
722 136 64 ALA HA H 4.285 0.030 1
723 136 64 ALA HB H 1.387 0.030 1
724 136 64 ALA C C 177.702 0.300 1
725 136 64 ALA CA C 52.550 0.300 1
726 136 64 ALA CB C 19.234 0.300 1
727 136 64 ALA N N 125.976 0.300 1
728 137 65 GLU H H 8.479 0.030 1
729 137 65 GLU HA H 4.248 0.030 1
730 137 65 GLU HB2 H 1.909 0.030 2
731 137 65 GLU HB3 H 2.044 0.030 2
732 137 65 GLU HG2 H 2.267 0.030 1
733 137 65 GLU HG3 H 2.267 0.030 1
734 137 65 GLU C C 176.210 0.300 1
735 137 65 GLU CA C 56.613 0.300 1
736 137 65 GLU CB C 30.376 0.300 1
737 137 65 GLU CG C 36.252 0.300 1
738 137 65 GLU N N 120.238 0.300 1
739 138 66 ASN H H 8.482 0.030 1
740 138 66 ASN HA H 4.704 0.030 1
741 138 66 ASN HB2 H 2.736 0.030 1
742 138 66 ASN HB3 H 2.736 0.030 1
743 138 66 ASN C C 174.982 0.300 1
744 138 66 ASN CA C 53.320 0.300 1
745 138 66 ASN CB C 38.889 0.300 1
746 138 66 ASN N N 118.983 0.300 1
747 139 67 THR H H 7.992 0.030 1
748 139 67 THR HA H 4.293 0.030 1
749 139 67 THR HB H 4.183 0.030 1
750 139 67 THR HG2 H 1.120 0.030 1
751 139 67 THR C C 173.218 0.300 1
752 139 67 THR CA C 61.691 0.300 1
753 139 67 THR CB C 69.937 0.300 1
754 139 67 THR CG2 C 21.512 0.300 1
755 139 67 THR N N 113.730 0.300 1
756 140 68 TYR H H 7.776 0.030 1
757 140 68 TYR HA H 4.394 0.030 1
758 140 68 TYR HB2 H 2.876 0.030 2
759 140 68 TYR HB3 H 3.079 0.030 2
760 140 68 TYR HD1 H 7.097 0.030 1
761 140 68 TYR HD2 H 7.097 0.030 1
762 140 68 TYR HE1 H 6.799 0.030 1
763 140 68 TYR HE2 H 6.799 0.030 1
764 140 68 TYR C C 180.437 0.300 1
765 140 68 TYR CA C 59.255 0.300 1
766 140 68 TYR CB C 39.426 0.300 1
767 140 68 TYR CD1 C 133.372 0.300 1
768 140 68 TYR CD2 C 133.372 0.300 1
769 140 68 TYR CE1 C 118.039 0.300 1
770 140 68 TYR CE2 C 118.039 0.300 1
771 140 68 TYR N N 126.895 0.300 1
stop_
save_