data_27353
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Chemical Shift Assignments of RHE-RS02845,a NTF2 domain-containing protein
;
_BMRB_accession_number 27353
_BMRB_flat_file_name bmr27353.str
_Entry_type original
_Submission_date 2018-01-08
_Accession_date 2018-01-08
_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 Li Tao . .
2 Li Shuangli . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 374
"13C chemical shifts" 301
"15N chemical shifts" 85
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2018-09-27 update BMRB 'update entry citation'
2018-03-29 original author 'original release'
stop_
_Original_release_date 2018-01-09
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Chemical shift assignments of RHE_RS02845, a NTF2-like domain-containing protein from Rhizobium etli
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 29572784
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Li Tao . .
2 Li Shuangli . .
3 Liang Chunjie . .
4 Zhu Jiang . .
5 Liu Maili . .
6 Yang Yunhuang . .
stop_
_Journal_abbreviation 'Biomol. NMR Assign.'
_Journal_name_full 'Biomolecular NMR assignments'
_Journal_volume 12
_Journal_issue 2
_Journal_ISSN 1874-270X
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 249
_Page_last 252
_Year 2018
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Protein RHE_CH00563'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
RHE_CH00563 $NTF2_containing-domain
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_NTF2_containing-domain
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common NTF2_containing-domain
_Molecular_mass .
_Mol_thiol_state unknown
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 163
_Mol_residue_sequence
;
MHHHHHHSSGLVPRGSVKDE
AIARHEEEAVIAMLMMRAKA
LGEKNAEEALSYEAEDSVEF
SLAPPLVINGKDKAGLQAWF
DTWEGPIGGEVRDAKLTVGE
GVAFWCGLTRMTGTKTDGTK
VDLWFRQTLGLVKQDGRWLV
THQHASVPFAMDGSGRALLD
LQP
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 HIS 3 HIS 4 HIS 5 HIS
6 HIS 7 HIS 8 SER 9 SER 10 GLY
11 LEU 12 VAL 13 PRO 14 ARG 15 GLY
16 SER 17 VAL 18 LYS 19 ASP 20 GLU
21 ALA 22 ILE 23 ALA 24 ARG 25 HIS
26 GLU 27 GLU 28 GLU 29 ALA 30 VAL
31 ILE 32 ALA 33 MET 34 LEU 35 MET
36 MET 37 ARG 38 ALA 39 LYS 40 ALA
41 LEU 42 GLY 43 GLU 44 LYS 45 ASN
46 ALA 47 GLU 48 GLU 49 ALA 50 LEU
51 SER 52 TYR 53 GLU 54 ALA 55 GLU
56 ASP 57 SER 58 VAL 59 GLU 60 PHE
61 SER 62 LEU 63 ALA 64 PRO 65 PRO
66 LEU 67 VAL 68 ILE 69 ASN 70 GLY
71 LYS 72 ASP 73 LYS 74 ALA 75 GLY
76 LEU 77 GLN 78 ALA 79 TRP 80 PHE
81 ASP 82 THR 83 TRP 84 GLU 85 GLY
86 PRO 87 ILE 88 GLY 89 GLY 90 GLU
91 VAL 92 ARG 93 ASP 94 ALA 95 LYS
96 LEU 97 THR 98 VAL 99 GLY 100 GLU
101 GLY 102 VAL 103 ALA 104 PHE 105 TRP
106 CYS 107 GLY 108 LEU 109 THR 110 ARG
111 MET 112 THR 113 GLY 114 THR 115 LYS
116 THR 117 ASP 118 GLY 119 THR 120 LYS
121 VAL 122 ASP 123 LEU 124 TRP 125 PHE
126 ARG 127 GLN 128 THR 129 LEU 130 GLY
131 LEU 132 VAL 133 LYS 134 GLN 135 ASP
136 GLY 137 ARG 138 TRP 139 LEU 140 VAL
141 THR 142 HIS 143 GLN 144 HIS 145 ALA
146 SER 147 VAL 148 PRO 149 PHE 150 ALA
151 MET 152 ASP 153 GLY 154 SER 155 GLY
156 ARG 157 ALA 158 LEU 159 LEU 160 ASP
161 LEU 162 GLN 163 PRO
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
$NTF2_containing-domain 'Rhizobium etli' 29449 Bacteria . Rhizobium etli
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
$NTF2_containing-domain 'recombinant technology' . Escherichia coli . pET32M
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
$NTF2_containing-domain 0.5 mM '[U-100% 13C; U-100% 15N]'
Tris-HCl 10 mM 'natural abundance'
DTT 5 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version 3.1
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details 'NMR data collection'
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_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'chemical shift calculation'
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_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 600
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 850
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aliphatic_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aliphatic'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_aromatic_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC aromatic'
_Sample_label $sample_1
save_
save_3D_HNCO_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_HNCA_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
save_3D_HNCACB_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HBHA(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HBHA(CO)NH'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_9
_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 .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 0.2 . M
pH 7.5 . 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
TMS C 13 'methyl carbon' ppm 0 . indirect . . . 1
DSS H 1 'methyl protons' ppm 0 internal direct . . . 1
water N 15 protons ppm 0 . indirect . . . 1
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 RHE_CH00563
_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 37 37 ARG CA C 58.6 0.2 1
2 38 38 ALA H H 8.1 0.02 1
3 38 38 ALA HA H 3.96 0.02 1
4 38 38 ALA HB H 1.36 0.02 1
5 38 38 ALA C C 181.2 0.2 1
6 38 38 ALA CA C 55 0.2 1
7 38 38 ALA CB C 17.6 0.2 1
8 38 38 ALA N N 119.7 0.2 1
9 39 39 LYS H H 7.93 0.02 1
10 39 39 LYS HA H 4.09 0.02 1
11 39 39 LYS HB2 H 1.92 0.02 1
12 39 39 LYS HB3 H 1.87 0.02 1
13 39 39 LYS HG2 H 1.44 0.02 1
14 39 39 LYS HG3 H 1.3 0.02 1
15 39 39 LYS HD2 H 1.67 0.02 1
16 39 39 LYS HD3 H 1.67 0.02 1
17 39 39 LYS HE2 H 2.97 0.02 1
18 39 39 LYS HE3 H 2.97 0.02 1
19 39 39 LYS C C 178.2 0.2 1
20 39 39 LYS CA C 59.1 0.2 1
21 39 39 LYS CB C 32.5 0.2 1
22 39 39 LYS CG C 24.3 0.2 1
23 39 39 LYS CD C 29 0.2 1
24 39 39 LYS CE C 41.9 0.2 1
25 39 39 LYS N N 120.7 0.2 1
26 40 40 ALA H H 7.67 0.02 1
27 40 40 ALA HA H 4.24 0.02 1
28 40 40 ALA HB H 1.63 0.02 1
29 40 40 ALA C C 179.6 0.2 1
30 40 40 ALA CA C 55.1 0.2 1
31 40 40 ALA CB C 17.6 0.2 1
32 40 40 ALA N N 121.7 0.2 1
33 41 41 LEU H H 8.18 0.02 1
34 41 41 LEU HA H 4.12 0.02 1
35 41 41 LEU C C 179.7 0.2 1
36 41 41 LEU CA C 58.1 0.2 1
37 41 41 LEU CB C 42.2 0.2 1
38 41 41 LEU N N 117.3 0.2 1
39 42 42 GLY H H 7.98 0.02 1
40 42 42 GLY HA2 H 3.73 0.02 1
41 42 42 GLY HA3 H 4.02 0.02 1
42 42 42 GLY C C 175 0.2 1
43 42 42 GLY CA C 47.2 0.2 1
44 42 42 GLY N N 105.8 0.2 1
45 43 43 GLU H H 7.65 0.02 1
46 43 43 GLU HA H 4.03 0.02 1
47 43 43 GLU HB2 H 2.01 0.02 1
48 43 43 GLU HB3 H 1.92 0.02 1
49 43 43 GLU HG2 H 2.3 0.02 1
50 43 43 GLU HG3 H 2.3 0.02 1
51 43 43 GLU C C 176.2 0.2 1
52 43 43 GLU CA C 55.6 0.2 1
53 43 43 GLU CB C 29 0.2 1
54 43 43 GLU CG C 36.3 0.2 1
55 43 43 GLU N N 115.3 0.2 1
56 44 44 LYS H H 7.36 0.02 1
57 44 44 LYS HA H 4.03 0.02 1
58 44 44 LYS HB2 H 1.65 0.02 1
59 44 44 LYS HB3 H 1.61 0.02 1
60 44 44 LYS C C 174.7 0.2 1
61 44 44 LYS CA C 55.6 0.2 1
62 44 44 LYS CB C 26.7 0.2 1
63 44 44 LYS N N 115.8 0.2 1
64 45 45 ASN H H 8.15 0.02 1
65 45 45 ASN HA H 4.75 0.02 1
66 45 45 ASN HB2 H 2.54 0.02 1
67 45 45 ASN HB3 H 2.54 0.02 1
68 45 45 ASN HD21 H 7.75 0.02 1
69 45 45 ASN HD22 H 6.88 0.02 1
70 45 45 ASN C C 174.8 0.2 1
71 45 45 ASN CA C 51 0.2 1
72 45 45 ASN CB C 38 0.2 1
73 45 45 ASN N N 118.5 0.2 1
74 45 45 ASN ND2 N 113.1 0.2 1
75 46 46 ALA H H 9.29 0.02 1
76 46 46 ALA HA H 4.13 0.02 1
77 46 46 ALA HB H 1.57 0.02 1
78 46 46 ALA C C 178.2 0.2 1
79 46 46 ALA CA C 56.3 0.2 1
80 46 46 ALA CB C 18.4 0.2 1
81 46 46 ALA N N 126.1 0.2 1
82 47 47 GLU H H 8.77 0.02 1
83 47 47 GLU HA H 3.91 0.02 1
84 47 47 GLU HB2 H 2.11 0.02 1
85 47 47 GLU HB3 H 2.06 0.02 1
86 47 47 GLU C C 179.6 0.2 1
87 47 47 GLU CA C 59.8 0.2 1
88 47 47 GLU CB C 29.4 0.2 1
89 47 47 GLU N N 116.5 0.2 1
90 48 48 GLU H H 7.75 0.02 1
91 48 48 GLU HA H 3.98 0.02 1
92 48 48 GLU HB2 H 1.89 0.02 1
93 48 48 GLU HB3 H 1.79 0.02 1
94 48 48 GLU HG2 H 2.29 0.02 1
95 48 48 GLU HG3 H 2.29 0.02 1
96 48 48 GLU C C 179.7 0.2 1
97 48 48 GLU CA C 58.8 0.2 1
98 48 48 GLU CB C 29.6 0.2 1
99 48 48 GLU CG C 36.3 0.2 1
100 48 48 GLU N N 117.7 0.2 1
101 49 49 ALA H H 8.62 0.02 1
102 49 49 ALA HA H 3.99 0.02 1
103 49 49 ALA HB H 1.5 0.02 1
104 49 49 ALA C C 180.3 0.2 1
105 49 49 ALA CA C 56.8 0.2 1
106 49 49 ALA CB C 18.2 0.2 1
107 49 49 ALA N N 121.9 0.2 1
108 50 50 LEU H H 8.27 0.02 1
109 50 50 LEU HA H 4 0.02 1
110 50 50 LEU HB2 H 1.84 0.02 1
111 50 50 LEU HB3 H 1.43 0.02 1
112 50 50 LEU HD1 H 0.78 0.02 1
113 50 50 LEU HD2 H 0.78 0.02 1
114 50 50 LEU C C 179 0.2 1
115 50 50 LEU CA C 56.7 0.2 1
116 50 50 LEU CB C 41 0.2 1
117 50 50 LEU CG C 23.2 0.2 1
118 50 50 LEU CD1 C 25.6 0.2 1
119 50 50 LEU CD2 C 25.6 0.2 1
120 50 50 LEU N N 114.7 0.2 1
121 51 51 SER H H 7.49 0.02 1
122 51 51 SER HA H 4.18 0.02 1
123 51 51 SER HB2 H 3.69 0.02 1
124 51 51 SER HB3 H 3.69 0.02 1
125 51 51 SER C C 175 0.2 1
126 51 51 SER CA C 60.9 0.2 1
127 51 51 SER CB C 62.7 0.2 1
128 51 51 SER N N 116.1 0.2 1
129 52 52 TYR H H 7.04 0.02 1
130 52 52 TYR HA H 4.59 0.02 1
131 52 52 TYR HB2 H 3.97 0.02 1
132 52 52 TYR HB3 H 3.97 0.02 1
133 52 52 TYR C C 173.3 0.2 1
134 52 52 TYR CA C 58.6 0.2 1
135 52 52 TYR CB C 38.9 0.2 1
136 52 52 TYR N N 119.4 0.2 1
137 53 53 GLU H H 7.55 0.02 1
138 53 53 GLU HA H 4.11 0.02 1
139 53 53 GLU HB2 H 2.06 0.02 1
140 53 53 GLU HB3 H 2.06 0.02 1
141 53 53 GLU HG2 H 2.39 0.02 1
142 53 53 GLU HG3 H 2.22 0.02 1
143 53 53 GLU C C 176 0.2 1
144 53 53 GLU CA C 54.2 0.2 1
145 53 53 GLU CB C 32.6 0.2 1
146 53 53 GLU CG C 36 0.2 1
147 53 53 GLU N N 118.5 0.2 1
148 54 54 ALA H H 8.38 0.02 1
149 54 54 ALA HA H 4.35 0.02 1
150 54 54 ALA HB H 1.42 0.02 1
151 54 54 ALA C C 178.1 0.2 1
152 54 54 ALA CA C 51.3 0.2 1
153 54 54 ALA CB C 20.6 0.2 1
154 54 54 ALA N N 125.5 0.2 1
155 55 55 GLU H H 8.82 0.02 1
156 55 55 GLU HA H 4.02 0.02 1
157 55 55 GLU HB2 H 2.02 0.02 1
158 55 55 GLU HB3 H 2.02 0.02 1
159 55 55 GLU HG2 H 2.29 0.02 1
160 55 55 GLU HG3 H 2.29 0.02 1
161 55 55 GLU C C 177.2 0.2 1
162 55 55 GLU CA C 58.5 0.2 1
163 55 55 GLU CB C 29.5 0.2 1
164 55 55 GLU CG C 36.3 0.2 1
165 55 55 GLU N N 119.3 0.2 1
166 56 56 ASP H H 8.57 0.02 1
167 56 56 ASP HA H 4.68 0.02 1
168 56 56 ASP HB2 H 2.73 0.02 1
169 56 56 ASP HB3 H 2.53 0.02 1
170 56 56 ASP C C 175.1 0.2 1
171 56 56 ASP CA C 52.4 0.2 1
172 56 56 ASP CB C 38.7 0.2 1
173 56 56 ASP N N 116.7 0.2 1
174 57 57 SER H H 6.92 0.02 1
175 57 57 SER HA H 4 0.02 1
176 57 57 SER HB2 H 3.77 0.02 1
177 57 57 SER HB3 H 3.71 0.02 1
178 57 57 SER C C 174.7 0.2 1
179 57 57 SER CA C 58.6 0.2 1
180 57 57 SER CB C 64.5 0.2 1
181 57 57 SER N N 112.8 0.2 1
182 58 58 VAL H H 7.88 0.02 1
183 58 58 VAL HA H 4.02 0.02 1
184 58 58 VAL HB H 1.75 0.02 1
185 58 58 VAL HG1 H 0.88 0.02 1
186 58 58 VAL HG2 H 0.88 0.02 1
187 58 58 VAL C C 175.3 0.2 1
188 58 58 VAL CA C 62.3 0.2 1
189 58 58 VAL CB C 34.3 0.2 1
190 58 58 VAL CG1 C 21.2 0.2 1
191 58 58 VAL CG2 C 21.2 0.2 1
192 58 58 VAL N N 123.2 0.2 1
193 59 59 GLU H H 9.23 0.02 1
194 59 59 GLU HA H 4.95 0.02 1
195 59 59 GLU HG2 H 2.18 0.02 1
196 59 59 GLU HG3 H 2.18 0.02 1
197 59 59 GLU C C 173.3 0.2 1
198 59 59 GLU CA C 54.2 0.2 1
199 59 59 GLU CB C 31.8 0.2 1
200 59 59 GLU CG C 33.7 0.2 1
201 59 59 GLU N N 133 0.2 1
202 60 60 PHE H H 8.82 0.02 1
203 60 60 PHE HA H 5.29 0.02 1
204 60 60 PHE HB2 H 2.96 0.02 1
205 60 60 PHE HB3 H 2.96 0.02 1
206 60 60 PHE C C 174.3 0.2 1
207 60 60 PHE CA C 52.1 0.2 1
208 60 60 PHE CB C 37.8 0.2 1
209 60 60 PHE N N 127.4 0.2 1
210 61 61 SER H H 9.25 0.02 1
211 61 61 SER HA H 4.72 0.02 1
212 61 61 SER HB2 H 3.95 0.02 1
213 61 61 SER HB3 H 3.82 0.02 1
214 61 61 SER C C 174 0.2 1
215 61 61 SER CA C 56.7 0.2 1
216 61 61 SER CB C 64.4 0.2 1
217 61 61 SER N N 119.4 0.2 1
218 62 62 LEU H H 8.09 0.02 1
219 62 62 LEU HA H 3.95 0.02 1
220 62 62 LEU HB2 H 1.32 0.02 1
221 62 62 LEU HB3 H 1.23 0.02 1
222 62 62 LEU HD1 H 0.72 0.02 1
223 62 62 LEU HD2 H 0.72 0.02 1
224 62 62 LEU C C 174 0.2 1
225 62 62 LEU CA C 58.6 0.2 1
226 62 62 LEU CB C 43.1 0.2 1
227 62 62 LEU CD1 C 24.8 0.2 1
228 62 62 LEU CD2 C 24.8 0.2 1
229 62 62 LEU N N 121.7 0.2 1
230 63 63 ALA H H 7.03 0.02 1
231 63 63 ALA HA H 4.77 0.02 1
232 63 63 ALA HB H 1.22 0.02 1
233 63 63 ALA CA C 48.7 0.2 1
234 63 63 ALA CB C 19.8 0.2 1
235 63 63 ALA N N 116.1 0.2 1
236 65 65 PRO HA H 4.37 0.02 1
237 65 65 PRO C C 174.2 0.2 1
238 65 65 PRO CA C 61.7 0.2 1
239 65 65 PRO CB C 33.7 0.2 1
240 66 66 LEU H H 8.29 0.02 1
241 66 66 LEU HA H 3.64 0.02 1
242 66 66 LEU HD1 H 0.92 0.02 1
243 66 66 LEU HD2 H 0.84 0.02 1
244 66 66 LEU C C 175.7 0.2 1
245 66 66 LEU CA C 60.2 0.2 1
246 66 66 LEU CB C 42.6 0.2 1
247 66 66 LEU CD1 C 25.3 0.2 1
248 66 66 LEU CD2 C 25.3 0.2 1
249 66 66 LEU N N 116.5 0.2 1
250 67 67 VAL H H 7.36 0.02 1
251 67 67 VAL HA H 5.09 0.02 1
252 67 67 VAL HB H 2.05 0.02 1
253 67 67 VAL HG1 H 1.11 0.02 1
254 67 67 VAL HG2 H 1.05 0.02 1
255 67 67 VAL C C 171.9 0.2 1
256 67 67 VAL CA C 59 0.2 1
257 67 67 VAL CB C 35.1 0.2 1
258 67 67 VAL CG1 C 22 0.2 1
259 67 67 VAL CG2 C 20.8 0.2 1
260 67 67 VAL N N 110.1 0.2 1
261 68 68 ILE H H 9.1 0.02 1
262 68 68 ILE HA H 4.18 0.02 1
263 68 68 ILE HB H 1.76 0.02 1
264 68 68 ILE HG12 H 1.35 0.02 1
265 68 68 ILE HG13 H 1.35 0.02 1
266 68 68 ILE HG2 H 0.81 0.02 1
267 68 68 ILE HD1 H 0.7 0.02 1
268 68 68 ILE C C 174.9 0.2 1
269 68 68 ILE CA C 60.6 0.2 1
270 68 68 ILE CB C 40.5 0.2 1
271 68 68 ILE CG1 C 26.5 0.2 1
272 68 68 ILE CG2 C 17.6 0.2 1
273 68 68 ILE CD1 C 13.7 0.2 1
274 68 68 ILE N N 126.6 0.2 1
275 69 69 ASN H H 8.75 0.02 1
276 69 69 ASN HA H 5.2 0.02 1
277 69 69 ASN HB2 H 2.65 0.02 1
278 69 69 ASN HB3 H 2.56 0.02 1
279 69 69 ASN HD21 H 7.53 0.02 1
280 69 69 ASN HD22 H 6.86 0.02 1
281 69 69 ASN C C 175.5 0.2 1
282 69 69 ASN CA C 52.9 0.2 1
283 69 69 ASN CB C 40.6 0.2 1
284 69 69 ASN N N 126 0.2 1
285 69 69 ASN ND2 N 112.5 0.2 1
286 70 70 GLY H H 8.6 0.02 1
287 70 70 GLY HA2 H 4.15 0.02 1
288 70 70 GLY HA3 H 3.83 0.02 1
289 70 70 GLY C C 172.8 0.2 1
290 70 70 GLY CA C 44.6 0.2 1
291 70 70 GLY N N 111.8 0.2 1
292 71 71 LYS H H 8.19 0.02 1
293 71 71 LYS HA H 4.17 0.02 1
294 71 71 LYS HB2 H 1.72 0.02 1
295 71 71 LYS HB3 H 1.64 0.02 1
296 71 71 LYS HG2 H 1.41 0.02 1
297 71 71 LYS HG3 H 1.41 0.02 1
298 71 71 LYS HD2 H 1.67 0.02 1
299 71 71 LYS HD3 H 1.67 0.02 1
300 71 71 LYS HE2 H 2.78 0.02 1
301 71 71 LYS HE3 H 2.78 0.02 1
302 71 71 LYS C C 176.4 0.2 1
303 71 71 LYS CA C 56.3 0.2 1
304 71 71 LYS CB C 33.6 0.2 1
305 71 71 LYS CG C 24.8 0.2 1
306 71 71 LYS CD C 29.2 0.2 1
307 71 71 LYS CE C 42.2 0.2 1
308 71 71 LYS N N 119.6 0.2 1
309 72 72 ASP H H 8.67 0.02 1
310 72 72 ASP HA H 4.73 0.02 1
311 72 72 ASP HB2 H 2.76 0.02 1
312 72 72 ASP HB3 H 2.76 0.02 1
313 72 72 ASP C C 175.4 0.2 1
314 72 72 ASP CA C 52.1 0.2 1
315 72 72 ASP CB C 41.3 0.2 1
316 72 72 ASP N N 124.3 0.2 1
317 73 73 LYS H H 8.67 0.02 1
318 73 73 LYS HA H 3.75 0.02 1
319 73 73 LYS HB2 H 1.78 0.02 1
320 73 73 LYS HB3 H 1.78 0.02 1
321 73 73 LYS HG2 H 1.44 0.02 1
322 73 73 LYS HG3 H 1.44 0.02 1
323 73 73 LYS HD2 H 1.74 0.02 1
324 73 73 LYS HD3 H 1.74 0.02 1
325 73 73 LYS HE2 H 2.76 0.02 1
326 73 73 LYS HE3 H 2.76 0.02 1
327 73 73 LYS C C 177.5 0.2 1
328 73 73 LYS CA C 60.4 0.2 1
329 73 73 LYS CB C 32.1 0.2 1
330 73 73 LYS CG C 25 0.2 1
331 73 73 LYS CD C 29.4 0.2 1
332 73 73 LYS CE C 42 0.2 1
333 73 73 LYS N N 125.2 0.2 1
334 74 74 ALA H H 8.23 0.02 1
335 74 74 ALA HA H 4.11 0.02 1
336 74 74 ALA HB H 1.44 0.02 1
337 74 74 ALA C C 181.5 0.2 1
338 74 74 ALA CA C 54.9 0.2 1
339 74 74 ALA CB C 17.6 0.2 1
340 74 74 ALA N N 120.2 0.2 1
341 75 75 GLY H H 8.34 0.02 1
342 75 75 GLY HA2 H 3.88 0.02 1
343 75 75 GLY HA3 H 3.81 0.02 1
344 75 75 GLY C C 176.9 0.2 1
345 75 75 GLY CA C 46.9 0.2 1
346 75 75 GLY N N 108.9 0.2 1
347 76 76 LEU H H 7.95 0.02 1
348 76 76 LEU HA H 4.57 0.02 1
349 76 76 LEU HG H 1.67 0.02 1
350 76 76 LEU HD1 H 0.76 0.02 1
351 76 76 LEU HD2 H 0.76 0.02 1
352 76 76 LEU C C 179.4 0.2 1
353 76 76 LEU CA C 57.5 0.2 1
354 76 76 LEU CB C 41.1 0.2 1
355 76 76 LEU CG C 26.3 0.2 1
356 76 76 LEU CD1 C 23.4 0.2 1
357 76 76 LEU CD2 C 23.4 0.2 1
358 76 76 LEU N N 125.4 0.2 1
359 77 77 GLN H H 8.51 0.02 1
360 77 77 GLN HA H 4.19 0.02 1
361 77 77 GLN HB2 H 2.09 0.02 1
362 77 77 GLN HB3 H 2.02 0.02 1
363 77 77 GLN HG2 H 2.32 0.02 1
364 77 77 GLN HG3 H 2.32 0.02 1
365 77 77 GLN HE21 H 7.41 0.02 1
366 77 77 GLN HE22 H 6.99 0.02 1
367 77 77 GLN C C 177 0.2 1
368 77 77 GLN CA C 57.7 0.2 1
369 77 77 GLN CB C 29.9 0.2 1
370 77 77 GLN CG C 33.4 0.2 1
371 77 77 GLN N N 123 0.2 1
372 77 77 GLN NE2 N 113.6 0.2 1
373 78 78 ALA H H 8.31 0.02 1
374 78 78 ALA HA H 4.23 0.02 1
375 78 78 ALA HB H 1.43 0.02 1
376 78 78 ALA CA C 53.7 0.2 1
377 78 78 ALA CB C 18.7 0.2 1
378 78 78 ALA N N 123.5 0.2 1
379 79 79 TRP H H 7.85 0.02 1
380 79 79 TRP CA C 62.4 0.2 1
381 79 79 TRP CB C 38 0.2 1
382 79 79 TRP N N 119.5 0.2 1
383 80 80 PHE C C 170.4 0.2 1
384 81 81 ASP H H 8.05 0.02 1
385 81 81 ASP HA H 4.98 0.02 1
386 81 81 ASP HB2 H 1.5 0.02 1
387 81 81 ASP HB3 H 1.55 0.02 1
388 81 81 ASP C C 176.3 0.2 1
389 81 81 ASP CA C 53.3 0.2 1
390 81 81 ASP N N 118.7 0.2 1
391 82 82 THR H H 8.9 0.02 1
392 82 82 THR HB H 2.71 0.02 1
393 82 82 THR C C 169.7 0.2 1
394 82 82 THR CA C 60.4 0.2 1
395 82 82 THR CB C 71.1 0.2 1
396 82 82 THR N N 117.7 0.2 1
397 83 83 TRP H H 8.47 0.02 1
398 83 83 TRP CA C 52.4 0.2 1
399 83 83 TRP CB C 33.1 0.2 1
400 83 83 TRP N N 127.8 0.2 1
401 86 86 PRO HA H 4.21 0.02 1
402 86 86 PRO HB2 H 2.19 0.02 1
403 86 86 PRO HB3 H 2.19 0.02 1
404 86 86 PRO C C 176 0.2 1
405 86 86 PRO CA C 62.6 0.2 1
406 86 86 PRO CB C 33 0.2 1
407 87 87 ILE H H 8.57 0.02 1
408 87 87 ILE HA H 4.27 0.02 1
409 87 87 ILE HB H 1.89 0.02 1
410 87 87 ILE HG12 H 1.27 0.02 1
411 87 87 ILE HG13 H 1.5 0.02 1
412 87 87 ILE HG2 H 0.81 0.02 1
413 87 87 ILE HD1 H 0.87 0.02 1
414 87 87 ILE C C 177.8 0.2 1
415 87 87 ILE CA C 61 0.2 1
416 87 87 ILE CB C 38.8 0.2 1
417 87 87 ILE CG1 C 27.3 0.2 1
418 87 87 ILE CG2 C 17.6 0.2 1
419 87 87 ILE CD1 C 12.8 0.2 1
420 87 87 ILE N N 122.2 0.2 1
421 88 88 GLY H H 8.97 0.02 1
422 88 88 GLY HA2 H 3.53 0.02 1
423 88 88 GLY HA3 H 3.53 0.02 1
424 88 88 GLY C C 173.6 0.2 1
425 88 88 GLY CA C 44.6 0.2 1
426 88 88 GLY N N 118.2 0.2 1
427 89 89 GLY H H 8 0.02 1
428 89 89 GLY HA2 H 3.54 0.02 1
429 89 89 GLY HA3 H 3.54 0.02 1
430 89 89 GLY C C 172.7 0.2 1
431 89 89 GLY CA C 45.1 0.2 1
432 89 89 GLY N N 106.9 0.2 1
433 90 90 GLU H H 7.46 0.02 1
434 90 90 GLU HA H 4.04 0.02 1
435 90 90 GLU HB2 H 2.02 0.02 1
436 90 90 GLU HB3 H 2.02 0.02 1
437 90 90 GLU HG2 H 2.03 0.02 1
438 90 90 GLU HG3 H 2.03 0.02 1
439 90 90 GLU C C 173.6 0.2 1
440 90 90 GLU CA C 55.2 0.2 1
441 90 90 GLU CB C 32.8 0.2 1
442 90 90 GLU CG C 36.4 0.2 1
443 90 90 GLU N N 116.7 0.2 1
444 91 91 VAL H H 8.51 0.02 1
445 91 91 VAL HA H 3.84 0.02 1
446 91 91 VAL HB H 2.08 0.02 1
447 91 91 VAL HG1 H 1.12 0.02 1
448 91 91 VAL HG2 H 0.94 0.02 1
449 91 91 VAL C C 175.9 0.2 1
450 91 91 VAL CA C 60.5 0.2 1
451 91 91 VAL CB C 35.2 0.2 1
452 91 91 VAL CG1 C 22.1 0.2 1
453 91 91 VAL CG2 C 20.8 0.2 1
454 91 91 VAL N N 119.1 0.2 1
455 92 92 ARG H H 9.62 0.02 1
456 92 92 ARG HA H 4.21 0.02 1
457 92 92 ARG HB2 H 1.75 0.02 1
458 92 92 ARG HB3 H 1.66 0.02 1
459 92 92 ARG HG2 H 1.63 0.02 1
460 92 92 ARG HG3 H 1.54 0.02 1
461 92 92 ARG HD2 H 3.24 0.02 1
462 92 92 ARG HD3 H 3.24 0.02 1
463 92 92 ARG HE H 7.27 0.02 1
464 92 92 ARG C C 173.5 0.2 1
465 92 92 ARG CA C 54.4 0.2 1
466 92 92 ARG CB C 34.2 0.2 1
467 92 92 ARG CG C 27.2 0.2 1
468 92 92 ARG CD C 43.3 0.2 1
469 92 92 ARG N N 126.5 0.2 1
470 93 93 ASP H H 8.74 0.02 1
471 93 93 ASP HA H 4.16 0.02 1
472 93 93 ASP HB2 H 2.77 0.02 1
473 93 93 ASP HB3 H 2.55 0.02 1
474 93 93 ASP C C 174.3 0.2 1
475 93 93 ASP CA C 55.2 0.2 1
476 93 93 ASP CB C 39.1 0.2 1
477 93 93 ASP N N 120.4 0.2 1
478 94 94 ALA H H 8 0.02 1
479 94 94 ALA HA H 4.51 0.02 1
480 94 94 ALA HB H 1.16 0.02 1
481 94 94 ALA C C 178.5 0.2 1
482 94 94 ALA CA C 51.6 0.2 1
483 94 94 ALA CB C 20.1 0.2 1
484 94 94 ALA N N 119.1 0.2 1
485 95 95 LYS H H 8.42 0.02 1
486 95 95 LYS HA H 4.32 0.02 1
487 95 95 LYS HB2 H 1.51 0.02 1
488 95 95 LYS HB3 H 1.42 0.02 1
489 95 95 LYS HG2 H 1.3 0.02 1
490 95 95 LYS HG3 H 1.02 0.02 1
491 95 95 LYS HD2 H 1.45 0.02 1
492 95 95 LYS HD3 H 1.45 0.02 1
493 95 95 LYS HE2 H 3.01 0.02 1
494 95 95 LYS HE3 H 3.01 0.02 1
495 95 95 LYS HZ H 7.92 0.02 1
496 95 95 LYS C C 173.8 0.2 1
497 95 95 LYS CA C 55.9 0.2 1
498 95 95 LYS CB C 36.1 0.2 1
499 95 95 LYS CG C 24.7 0.2 1
500 95 95 LYS CD C 29.7 0.2 1
501 95 95 LYS CE C 42 0.2 1
502 95 95 LYS N N 122.5 0.2 1
503 96 96 LEU H H 8.74 0.02 1
504 96 96 LEU HA H 4.14 0.02 1
505 96 96 LEU HB2 H 1.32 0.02 1
506 96 96 LEU HB3 H 1.32 0.02 1
507 96 96 LEU HD1 H 0.77 0.02 1
508 96 96 LEU HD2 H 0.77 0.02 1
509 96 96 LEU C C 174.7 0.2 1
510 96 96 LEU CA C 53.7 0.2 1
511 96 96 LEU CB C 44.8 0.2 1
512 96 96 LEU CD1 C 26.5 0.2 1
513 96 96 LEU CD2 C 26.5 0.2 1
514 96 96 LEU N N 129.3 0.2 1
515 97 97 THR H H 8.61 0.02 1
516 97 97 THR HA H 4.24 0.02 1
517 97 97 THR HB H 2.41 0.02 1
518 97 97 THR HG2 H 1.16 0.02 1
519 97 97 THR C C 172.5 0.2 1
520 97 97 THR CA C 62.1 0.2 1
521 97 97 THR CB C 69.5 0.2 1
522 97 97 THR CG2 C 21.5 0.2 1
523 97 97 THR N N 125.1 0.2 1
524 98 98 VAL H H 8.88 0.02 1
525 98 98 VAL HA H 4.25 0.02 1
526 98 98 VAL HB H 1.96 0.02 1
527 98 98 VAL HG1 H 1.15 0.02 1
528 98 98 VAL HG2 H 0.75 0.02 1
529 98 98 VAL C C 175 0.2 1
530 98 98 VAL CA C 61.8 0.2 1
531 98 98 VAL CB C 34.2 0.2 1
532 98 98 VAL CG1 C 21.5 0.2 1
533 98 98 VAL CG2 C 21.5 0.2 1
534 98 98 VAL N N 126 0.2 1
535 99 99 GLY H H 8.82 0.02 1
536 99 99 GLY HA2 H 3.69 0.02 1
537 99 99 GLY HA3 H 3.44 0.02 1
538 99 99 GLY C C 173.2 0.2 1
539 99 99 GLY CA C 45.3 0.2 1
540 99 99 GLY N N 117.7 0.2 1
541 100 100 GLU H H 8.5 0.02 1
542 100 100 GLU HA H 4.49 0.02 1
543 100 100 GLU HB2 H 2.22 0.02 1
544 100 100 GLU HB3 H 2.13 0.02 1
545 100 100 GLU HG2 H 2.36 0.02 1
546 100 100 GLU HG3 H 2.36 0.02 1
547 100 100 GLU C C 177 0.2 1
548 100 100 GLU CA C 57.5 0.2 1
549 100 100 GLU CB C 28.8 0.2 1
550 100 100 GLU CG C 36.1 0.2 1
551 100 100 GLU N N 121.9 0.2 1
552 101 101 GLY H H 8.92 0.02 1
553 101 101 GLY HA2 H 4.1 0.02 1
554 101 101 GLY HA3 H 3.6 0.02 1
555 101 101 GLY C C 172.9 0.2 1
556 101 101 GLY CA C 46.1 0.2 1
557 101 101 GLY N N 111.5 0.2 1
558 102 102 VAL H H 7.39 0.02 1
559 102 102 VAL HA H 4.37 0.02 1
560 102 102 VAL HB H 1.87 0.02 1
561 102 102 VAL HG1 H 1.25 0.02 1
562 102 102 VAL HG2 H 1.03 0.02 1
563 102 102 VAL C C 172.8 0.2 1
564 102 102 VAL CA C 61.5 0.2 1
565 102 102 VAL CB C 37.2 0.2 1
566 102 102 VAL CG1 C 22.7 0.2 1
567 102 102 VAL CG2 C 22.7 0.2 1
568 102 102 VAL N N 119.8 0.2 1
569 103 103 ALA H H 9.43 0.02 1
570 103 103 ALA HA H 4.89 0.02 1
571 103 103 ALA HB H 1.28 0.02 1
572 103 103 ALA C C 175.3 0.2 1
573 103 103 ALA CA C 50.7 0.2 1
574 103 103 ALA CB C 24.9 0.2 1
575 103 103 ALA N N 126.4 0.2 1
576 104 104 PHE H H 8.81 0.02 1
577 104 104 PHE HA H 4.49 0.02 1
578 104 104 PHE HB2 H 2.77 0.02 1
579 104 104 PHE HB3 H 2.63 0.02 1
580 104 104 PHE C C 171.6 0.2 1
581 104 104 PHE CA C 57.3 0.2 1
582 104 104 PHE CB C 41.5 0.2 1
583 104 104 PHE N N 111.6 0.2 1
584 105 105 TRP H H 9.59 0.02 1
585 105 105 TRP CA C 55.4 0.2 1
586 105 105 TRP CB C 34.8 0.2 1
587 105 105 TRP N N 124.5 0.2 1
588 106 106 CYS H H 8.54 0.02 1
589 106 106 CYS CA C 57.5 0.2 1
590 106 106 CYS N N 101.50 0.2 1
591 107 107 GLY H H 7.7 0.02 1
592 107 107 GLY CA C 45.4 0.2 1
593 107 107 GLY N N 119.9 0.2 1
594 108 108 LEU H H 8.82 0.02 1
595 108 108 LEU CA C 52 0.2 1
596 108 108 LEU N N 127.3 0.2 1
597 109 109 THR H H 8 0.02 1
598 109 109 THR CB C 71.1 0.2 1
599 109 109 THR N N 120.1 0.2 1
600 110 110 ARG H H 8.47 0.02 1
601 110 110 ARG CA C 52.4 0.2 1
602 110 110 ARG CB C 33.1 0.2 1
603 110 110 ARG N N 127.9 0.2 1
604 111 111 MET C C 174.4 0.2 1
605 112 112 THR H H 7.98 0.02 1
606 112 112 THR HA H 5.42 0.02 1
607 112 112 THR HB H 3.94 0.02 1
608 112 112 THR HG2 H 0.98 0.02 1
609 112 112 THR C C 173 0.2 1
610 112 112 THR CA C 58.6 0.2 1
611 112 112 THR CB C 71.7 0.2 1
612 112 112 THR CG2 C 21.4 0.2 1
613 112 112 THR N N 115.8 0.2 1
614 113 113 GLY H H 8.51 0.02 1
615 113 113 GLY HA2 H 3.43 0.02 1
616 113 113 GLY HA3 H 3.11 0.02 1
617 113 113 GLY C C 171.8 0.2 1
618 113 113 GLY CA C 45.4 0.2 1
619 113 113 GLY N N 108.1 0.2 1
620 114 114 THR H H 9.54 0.02 1
621 114 114 THR HA H 5.12 0.02 1
622 114 114 THR HB H 4 0.02 1
623 114 114 THR HG2 H 1.28 0.02 1
624 114 114 THR C C 173.8 0.2 1
625 114 114 THR CA C 61.5 0.2 1
626 114 114 THR CB C 71.3 0.2 1
627 114 114 THR CG2 C 21.2 0.2 1
628 114 114 THR N N 118.7 0.2 1
629 115 115 LYS H H 9.15 0.02 1
630 115 115 LYS HA H 4.7 0.02 1
631 115 115 LYS HB2 H 2.07 0.02 1
632 115 115 LYS HB3 H 2.07 0.02 1
633 115 115 LYS HG2 H 1.65 0.02 1
634 115 115 LYS HG3 H 1.21 0.02 1
635 115 115 LYS HD2 H 1.59 0.02 1
636 115 115 LYS HD3 H 0.74 0.02 1
637 115 115 LYS HE2 H 2.9 0.02 1
638 115 115 LYS HE3 H 2.9 0.02 1
639 115 115 LYS HZ H 7.25 0.02 1
640 115 115 LYS C C 180.1 0.2 1
641 115 115 LYS CA C 54.4 0.2 1
642 115 115 LYS CB C 32.3 0.2 1
643 115 115 LYS CG C 25.8 0.2 1
644 115 115 LYS CD C 28.6 0.2 1
645 115 115 LYS CE C 41.9 0.2 1
646 115 115 LYS N N 125.3 0.2 1
647 116 116 THR H H 8.52 0.02 1
648 116 116 THR HA H 4.37 0.02 1
649 116 116 THR HB H 3.98 0.02 1
650 116 116 THR HG2 H 1.16 0.02 1
651 116 116 THR C C 175.3 0.2 1
652 116 116 THR CA C 64.7 0.2 1
653 116 116 THR CB C 68.4 0.2 1
654 116 116 THR CG2 C 21.5 0.2 1
655 116 116 THR N N 112.7 0.2 1
656 117 117 ASP H H 7.35 0.02 1
657 117 117 ASP HA H 4.56 0.02 1
658 117 117 ASP HB2 H 2.92 0.02 1
659 117 117 ASP HB3 H 2.55 0.02 1
660 117 117 ASP C C 177.1 0.2 1
661 117 117 ASP CA C 53.2 0.2 1
662 117 117 ASP CB C 39.7 0.2 1
663 117 117 ASP N N 118 0.2 1
664 118 118 GLY H H 8.13 0.02 1
665 118 118 GLY HA2 H 4.19 0.02 1
666 118 118 GLY HA3 H 3.53 0.02 1
667 118 118 GLY C C 175 0.2 1
668 118 118 GLY CA C 44.6 0.2 1
669 118 118 GLY N N 108.5 0.2 1
670 119 119 THR H H 8.03 0.02 1
671 119 119 THR HA H 3.96 0.02 1
672 119 119 THR HB H 3.93 0.02 1
673 119 119 THR HG2 H 1.13 0.02 1
674 119 119 THR C C 173.4 0.2 1
675 119 119 THR CA C 64.3 0.2 1
676 119 119 THR CB C 69.2 0.2 1
677 119 119 THR CG2 C 21.4 0.2 1
678 119 119 THR N N 117.3 0.2 1
679 120 120 LYS H H 8.69 0.02 1
680 120 120 LYS HA H 4.85 0.02 1
681 120 120 LYS HB2 H 1.87 0.02 1
682 120 120 LYS HB3 H 1.87 0.02 1
683 120 120 LYS HG2 H 1.66 0.02 1
684 120 120 LYS HG3 H 1.6 0.02 1
685 120 120 LYS HD2 H 1.75 0.02 1
686 120 120 LYS HD3 H 1.75 0.02 1
687 120 120 LYS HE2 H 3.24 0.02 1
688 120 120 LYS HE3 H 3.24 0.02 1
689 120 120 LYS HZ H 8.08 0.02 1
690 120 120 LYS C C 176.4 0.2 1
691 120 120 LYS CA C 55.8 0.2 1
692 120 120 LYS CB C 32.9 0.2 1
693 120 120 LYS CG C 26.4 0.2 1
694 120 120 LYS CD C 29 0.2 1
695 120 120 LYS CE C 43.6 0.2 1
696 120 120 LYS N N 125.9 0.2 1
697 121 121 VAL H H 9.01 0.02 1
698 121 121 VAL HA H 4.22 0.02 1
699 121 121 VAL HB H 1.97 0.02 1
700 121 121 VAL HG1 H 1.07 0.02 1
701 121 121 VAL HG2 H 0.75 0.02 1
702 121 121 VAL C C 175.5 0.2 1
703 121 121 VAL CA C 61.8 0.2 1
704 121 121 VAL CB C 34.6 0.2 1
705 121 121 VAL CG1 C 21.6 0.2 1
706 121 121 VAL CG2 C 21.6 0.2 1
707 121 121 VAL N N 125.4 0.2 1
708 122 122 ASP H H 8.7 0.02 1
709 122 122 ASP HA H 4.6 0.02 1
710 122 122 ASP HB2 H 2.9 0.02 1
711 122 122 ASP HB3 H 2.9 0.02 1
712 122 122 ASP C C 174 0.2 1
713 122 122 ASP CA C 54.5 0.2 1
714 122 122 ASP CB C 41 0.2 1
715 122 122 ASP N N 128.3 0.2 1
716 123 123 LEU H H 8.77 0.02 1
717 123 123 LEU HA H 4.23 0.02 1
718 123 123 LEU HB2 H 1.92 0.02 1
719 123 123 LEU HB3 H 1.66 0.02 1
720 123 123 LEU HG H 1.59 0.02 1
721 123 123 LEU HD1 H 1.21 0.02 1
722 123 123 LEU HD2 H 0.98 0.02 1
723 123 123 LEU C C 174.8 0.2 1
724 123 123 LEU CA C 54.4 0.2 1
725 123 123 LEU CB C 46.9 0.2 1
726 123 123 LEU CG C 28.5 0.2 1
727 123 123 LEU CD1 C 26 0.2 1
728 123 123 LEU CD2 C 26 0.2 1
729 123 123 LEU N N 127.4 0.2 1
730 124 124 TRP H H 8.68 0.02 1
731 124 124 TRP HA H 4.75 0.02 1
732 124 124 TRP HB2 H 2.93 0.02 1
733 124 124 TRP HB3 H 2.93 0.02 1
734 124 124 TRP C C 175.1 0.2 1
735 124 124 TRP CA C 58.3 0.2 1
736 124 124 TRP CB C 30.3 0.2 1
737 124 124 TRP N N 123.5 0.2 1
738 125 125 PHE H H 7.85 0.02 1
739 125 125 PHE C C 175 0.2 1
740 125 125 PHE CA C 62.4 0.2 1
741 125 125 PHE CB C 38 0.2 1
742 126 126 ARG H H 7.47 0.02 1
743 126 126 ARG HA H 4.46 0.02 1
744 126 126 ARG HB2 H 1.88 0.02 1
745 126 126 ARG HB3 H 1.79 0.02 1
746 126 126 ARG HG2 H 1.71 0.02 1
747 126 126 ARG HG3 H 1.64 0.02 1
748 126 126 ARG HD2 H 3.27 0.02 1
749 126 126 ARG HD3 H 3.27 0.02 1
750 126 126 ARG HE H 7.48 0.02 1
751 126 126 ARG C C 175.7 0.2 1
752 126 126 ARG CA C 56.6 0.2 1
753 126 126 ARG CB C 31.3 0.2 1
754 126 126 ARG CG C 27.2 0.2 1
755 126 126 ARG CD C 43.3 0.2 1
756 126 126 ARG N N 118.9 0.2 1
757 127 127 GLN H H 7.79 0.02 1
758 127 127 GLN CA C 61.7 0.2 1
759 127 127 GLN CB C 28.7 0.2 1
760 127 127 GLN N N 119.1 0.2 1
stop_
save_