data_16084
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
SOLUTION STRUCTURE OF TETRATRICOPEPTIDE REPEAT DOMAIN PROTEIN SRU_0103 FROM SALINIBACTER RUBER, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET SrR115C
;
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Liu Gaohua . .
2 Rossi Paolo . .
3 Wang Dongyan . .
4 Nwosu Chioma . .
5 Owens Leah . .
6 Xiao Rong . .
7 Liu Jinfeng . .
8 Baran Michael C. .
9 Swapna G.V.T . .
10 Acton Thomas B. .
11 Rost Burkhard . .
12 Montelione Gaetano T. .
stop_
_BMRB_accession_number 16084
_BMRB_flat_file_name bmr16084.str
_Entry_type new
_Submission_date 2008-12-22
_Accession_date 2008-12-22
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
'1H chemical shifts' 655
'13C chemical shifts' 310
'15N chemical shifts' 99
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-01-09 original author .
stop_
save_
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'SOLUTION STRUCTURE OF TETRATRICOPEPTIDE REPEAT DOMAIN PROTEIN SRU_0103 FROM SALINIBACTER RUBER, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET SrR115C'
_Citation_status 'in preparation'
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Liu Gaohua . .
2 Rossi Paolo . .
3 Wang Dongyan . .
4 Nwosu Chioma . .
5 Owens Leah . .
6 Xiao Rong . .
7 Liu Jinfeng . .
8 Baran Michael C. .
9 Swapna G.V.T . .
10 Acton Thomas B. .
11 Rost Burkhard . .
12 Montelione Gaetano T. .
stop_
_Journal_abbreviation 'Not known'
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
save_assembly
_Saveframe_category molecular_system
_Mol_system_name PROTEIN
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
SRU_0103 $SRU_0103
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
save_SRU_0103
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common SRU_0103
_Molecular_mass 11487.540
_Mol_thiol_state 'all free'
_Details .
_Residue_count 99
_Mol_residue_sequence
;
EDPEDPFTRYALAQEHLKHD
NASRALALFEELVETDPDYV
GTYYHLGKLYERLDRTDDAI
DTYAQGIEVAREEGTQKDLS
ELQDAKLKAEGLEHHHHHH
;
loop_
_Residue_seq_code
_Residue_label
1 GLU 2 ASP 3 PRO 4 GLU 5 ASP
6 PRO 7 PHE 8 THR 9 ARG 10 TYR
11 ALA 12 LEU 13 ALA 14 GLN 15 GLU
16 HIS 17 LEU 18 LYS 19 HIS 20 ASP
21 ASN 22 ALA 23 SER 24 ARG 25 ALA
26 LEU 27 ALA 28 LEU 29 PHE 30 GLU
31 GLU 32 LEU 33 VAL 34 GLU 35 THR
36 ASP 37 PRO 38 ASP 39 TYR 40 VAL
41 GLY 42 THR 43 TYR 44 TYR 45 HIS
46 LEU 47 GLY 48 LYS 49 LEU 50 TYR
51 GLU 52 ARG 53 LEU 54 ASP 55 ARG
56 THR 57 ASP 58 ASP 59 ALA 60 ILE
61 ASP 62 THR 63 TYR 64 ALA 65 GLN
66 GLY 67 ILE 68 GLU 69 VAL 70 ALA
71 ARG 72 GLU 73 GLU 74 GLY 75 THR
76 GLN 77 LYS 78 ASP 79 LEU 80 SER
81 GLU 82 LEU 83 GLN 84 ASP 85 ALA
86 LYS 87 LEU 88 LYS 89 ALA 90 GLU
91 GLY 92 LEU 93 GLU 94 HIS 95 HIS
96 HIS 97 HIS 98 HIS 99 HIS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$SRU_0103 'Salinibacter ruber' 146919 Bacteria . Salinibacter ruber
stop_
save_
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$SRU_0103 'recombinant technology' . Escherichia coli . 'pET 21-23C'
stop_
save_
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$SRU_0103 1.37 mM '[U-100% 13C; U-100% 15N]'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$SRU_0103 1.05 mM '[U-10% 13C; U-100% 15N]'
stop_
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
'structure solution'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
refinement
'structure solution'
'geometry optimization'
stop_
_Details .
save_
save_AutoStructure
_Saveframe_category software
_Name AutoStructure
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Huang, Tejero, Powers and Montelione' . .
stop_
loop_
_Task
refinement
'data analysis'
'structure solution'
stop_
_Details .
save_
save_PSVS
_Saveframe_category software
_Name PSVS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bhattacharya and Montelione' . .
stop_
loop_
_Task
'data analysis'
refinement
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_AutoAssign
_Saveframe_category software
_Name AutoAssign
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Zimmerman, Moseley, Kulikowski and Montelione' . .
stop_
loop_
_Task
'data analysis'
'chemical shift assignment'
stop_
_Details .
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bartels et al.' . .
stop_
loop_
_Task
'data analysis'
'chemical shift assignment'
refinement
stop_
_Details .
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_VNMRJ
_Saveframe_category software
_Name VNMRJ
_Version .
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 600
_Details .
save_
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-15N_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_HNCO_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCO'
_Sample_label $sample_1
save_
save_3D_1H-15N_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_4,3D_GFT_CABCACONHN_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '4,3D GFT CABCACONHN'
_Sample_label $sample_1
save_
save_4,3D_GFT_HNNCABCA_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '4,3D GFT HNNCABCA'
_Sample_label $sample_1
save_
save_4,3D_GFT_HABCABCONHN_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '4,3D GFT HABCABCONHN'
_Sample_label $sample_1
save_
save_3D_HCCH-COSY_9
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HCCH-COSY'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_2
save_
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 298 . K
pH 6.5 . pH
pressure 1 . atm
'ionic strength' . . M
stop_
save_
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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000
DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0.00 n/a indirect . . . 0.101329118
stop_
save_
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$AutoAssign
$XEASY
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 SRU_0103
_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 1 1 GLU HA H 4.33 0.02 1
2 1 1 GLU HB2 H 1.88 0.02 2
3 1 1 GLU HB3 H 2.04 0.02 2
4 1 1 GLU HG2 H 2.23 0.02 2
5 1 1 GLU HG3 H 2.23 0.02 2
6 1 1 GLU CA C 56.2 0.5 1
7 1 1 GLU CB C 30.1 0.5 1
8 1 1 GLU CG C 36.0 0.5 1
9 2 2 ASP H H 8.56 0.02 1
10 2 2 ASP HA H 4.85 0.02 1
11 2 2 ASP HB2 H 2.52 0.02 2
12 2 2 ASP HB3 H 2.76 0.02 2
13 2 2 ASP CA C 52.2 0.5 1
14 2 2 ASP CB C 40.9 0.5 1
15 2 2 ASP N N 123.0 0.5 1
16 3 3 PRO HA H 4.38 0.02 1
17 3 3 PRO HB2 H 1.92 0.02 2
18 3 3 PRO HB3 H 2.29 0.02 2
19 3 3 PRO HD2 H 3.78 0.02 2
20 3 3 PRO HD3 H 3.86 0.02 2
21 3 3 PRO HG2 H 2.00 0.02 2
22 3 3 PRO HG3 H 2.00 0.02 2
23 3 3 PRO CA C 63.5 0.5 1
24 3 3 PRO CB C 32.1 0.5 1
25 3 3 PRO CD C 50.7 0.5 1
26 3 3 PRO CG C 27.1 0.5 1
27 4 4 GLU H H 8.41 0.02 1
28 4 4 GLU HA H 4.25 0.02 1
29 4 4 GLU HB2 H 1.89 0.02 2
30 4 4 GLU HB3 H 2.06 0.02 2
31 4 4 GLU HG2 H 2.19 0.02 2
32 4 4 GLU HG3 H 2.29 0.02 2
33 4 4 GLU CA C 55.9 0.5 1
34 4 4 GLU CB C 30.1 0.5 1
35 4 4 GLU CG C 36.2 0.5 1
36 4 4 GLU N N 118.3 0.5 1
37 5 5 ASP H H 8.03 0.02 1
38 5 5 ASP HA H 4.73 0.02 1
39 5 5 ASP HB2 H 2.84 0.02 2
40 5 5 ASP HB3 H 2.82 0.02 2
41 5 5 ASP CA C 52.6 0.5 1
42 5 5 ASP CB C 41.7 0.5 1
43 5 5 ASP N N 123.7 0.5 1
44 6 6 PRO HA H 3.94 0.02 1
45 6 6 PRO HB2 H 0.94 0.02 2
46 6 6 PRO HB3 H 1.61 0.02 2
47 6 6 PRO HD2 H 3.75 0.02 2
48 6 6 PRO HD3 H 3.88 0.02 2
49 6 6 PRO HG2 H 1.77 0.02 2
50 6 6 PRO HG3 H 1.84 0.02 2
51 6 6 PRO CA C 64.9 0.5 1
52 6 6 PRO CB C 31.0 0.5 1
53 6 6 PRO CD C 50.8 0.5 1
54 6 6 PRO CG C 27.3 0.5 1
55 7 7 PHE H H 8.13 0.02 1
56 7 7 PHE HA H 4.22 0.02 1
57 7 7 PHE HB2 H 3.05 0.02 2
58 7 7 PHE HB3 H 3.31 0.02 2
59 7 7 PHE HD1 H 7.33 0.02 3
60 7 7 PHE HD2 H 7.33 0.02 3
61 7 7 PHE HE1 H 7.37 0.02 3
62 7 7 PHE HE2 H 7.37 0.02 3
63 7 7 PHE HZ H 7.32 0.02 1
64 7 7 PHE CA C 60.8 0.5 1
65 7 7 PHE CB C 38.3 0.5 1
66 7 7 PHE CD1 C 131.9 0.5 1
67 7 7 PHE CE1 C 131.2 0.5 1
68 7 7 PHE CZ C 129.5 0.5 1
69 7 7 PHE N N 117.2 0.5 1
70 8 8 THR H H 7.83 0.02 1
71 8 8 THR HA H 3.71 0.02 1
72 8 8 THR HB H 4.25 0.02 1
73 8 8 THR HG2 H 1.19 0.02 1
74 8 8 THR CA C 66.2 0.5 1
75 8 8 THR CB C 68.3 0.5 1
76 8 8 THR CG2 C 21.8 0.5 1
77 8 8 THR N N 115.7 0.5 1
78 9 9 ARG H H 7.30 0.02 1
79 9 9 ARG HA H 3.84 0.02 1
80 9 9 ARG HB2 H 1.69 0.02 2
81 9 9 ARG HB3 H 1.83 0.02 2
82 9 9 ARG HD2 H 3.04 0.02 2
83 9 9 ARG HD3 H 3.19 0.02 2
84 9 9 ARG HE H 6.71 0.02 1
85 9 9 ARG HG2 H 1.58 0.02 2
86 9 9 ARG HG3 H 1.65 0.02 2
87 9 9 ARG CA C 59.7 0.5 1
88 9 9 ARG CB C 30.4 0.5 1
89 9 9 ARG CD C 43.7 0.5 1
90 9 9 ARG CG C 28.0 0.5 1
91 9 9 ARG N N 121.4 0.5 1
92 9 9 ARG NE N 85.1 0.5 1
93 10 10 TYR H H 8.48 0.02 1
94 10 10 TYR HA H 3.80 0.02 1
95 10 10 TYR HB2 H 2.95 0.02 2
96 10 10 TYR HB3 H 3.13 0.02 2
97 10 10 TYR HD1 H 7.05 0.02 3
98 10 10 TYR HD2 H 7.05 0.02 3
99 10 10 TYR HE1 H 6.78 0.02 3
100 10 10 TYR HE2 H 6.78 0.02 3
101 10 10 TYR CA C 61.4 0.5 1
102 10 10 TYR CB C 38.3 0.5 1
103 10 10 TYR CD1 C 133.3 0.5 1
104 10 10 TYR CE1 C 117.9 0.5 1
105 10 10 TYR N N 121.7 0.5 1
106 11 11 ALA H H 8.50 0.02 1
107 11 11 ALA HA H 3.70 0.02 1
108 11 11 ALA HB H 1.14 0.02 1
109 11 11 ALA CA C 54.4 0.5 1
110 11 11 ALA CB C 17.3 0.5 1
111 11 11 ALA N N 121.7 0.5 1
112 12 12 LEU H H 7.69 0.02 1
113 12 12 LEU HA H 3.92 0.02 1
114 12 12 LEU HB2 H 1.61 0.02 2
115 12 12 LEU HB3 H 1.62 0.02 2
116 12 12 LEU HD1 H 0.73 0.02 2
117 12 12 LEU HD2 H 0.83 0.02 2
118 12 12 LEU HG H 1.42 0.02 1
119 12 12 LEU CA C 57.1 0.5 1
120 12 12 LEU CB C 41.5 0.5 1
121 12 12 LEU CD1 C 23.3 0.5 1
122 12 12 LEU CD2 C 24.5 0.5 1
123 12 12 LEU CG C 26.4 0.5 1
124 12 12 LEU N N 120.9 0.5 1
125 13 13 ALA H H 8.01 0.02 1
126 13 13 ALA HA H 3.50 0.02 1
127 13 13 ALA HB H 0.55 0.02 1
128 13 13 ALA CA C 55.4 0.5 1
129 13 13 ALA CB C 17.4 0.5 1
130 13 13 ALA N N 123.0 0.5 1
131 14 14 GLN H H 7.66 0.02 1
132 14 14 GLN HA H 3.91 0.02 1
133 14 14 GLN HB2 H 1.86 0.02 2
134 14 14 GLN HB3 H 1.89 0.02 2
135 14 14 GLN HE21 H 5.54 0.02 2
136 14 14 GLN HE22 H 5.21 0.02 2
137 14 14 GLN HG2 H 1.75 0.02 2
138 14 14 GLN HG3 H 2.01 0.02 2
139 14 14 GLN CA C 58.2 0.5 1
140 14 14 GLN CB C 27.7 0.5 1
141 14 14 GLN CG C 32.2 0.5 1
142 14 14 GLN N N 114.0 0.5 1
143 14 14 GLN NE2 N 105.5 0.5 1
144 15 15 GLU H H 7.90 0.02 1
145 15 15 GLU HA H 3.90 0.02 1
146 15 15 GLU HB2 H 1.96 0.02 2
147 15 15 GLU HB3 H 1.96 0.02 2
148 15 15 GLU HG2 H 2.10 0.02 2
149 15 15 GLU HG3 H 2.10 0.02 2
150 15 15 GLU CA C 58.8 0.5 1
151 15 15 GLU CB C 28.6 0.5 1
152 15 15 GLU CG C 35.5 0.5 1
153 15 15 GLU N N 122.4 0.5 1
154 16 16 HIS H H 8.22 0.02 1
155 16 16 HIS HA H 4.52 0.02 1
156 16 16 HIS HB2 H 2.97 0.02 2
157 16 16 HIS HB3 H 3.21 0.02 2
158 16 16 HIS HD2 H 6.41 0.02 1
159 16 16 HIS HE1 H 7.64 0.02 1
160 16 16 HIS CA C 59.7 0.5 1
161 16 16 HIS CB C 29.6 0.5 1
162 16 16 HIS CD2 C 118.6 0.5 1
163 16 16 HIS CE1 C 139.2 0.5 1
164 16 16 HIS N N 119.1 0.5 1
165 17 17 LEU H H 8.09 0.02 1
166 17 17 LEU HA H 3.87 0.02 1
167 17 17 LEU HB2 H 1.72 0.02 2
168 17 17 LEU HB3 H 1.72 0.02 2
169 17 17 LEU HD1 H 0.97 0.02 2
170 17 17 LEU HD2 H 0.92 0.02 2
171 17 17 LEU HG H 1.65 0.02 1
172 17 17 LEU CA C 57.9 0.5 1
173 17 17 LEU CB C 41.4 0.5 1
174 17 17 LEU CD1 C 24.9 0.5 1
175 17 17 LEU CD2 C 24.4 0.5 1
176 17 17 LEU CG C 26.5 0.5 1
177 17 17 LEU N N 120.5 0.5 1
178 18 18 LYS H H 7.96 0.02 1
179 18 18 LYS HA H 4.03 0.02 1
180 18 18 LYS HB2 H 1.77 0.02 2
181 18 18 LYS HB3 H 1.77 0.02 2
182 18 18 LYS HD2 H 1.56 0.02 2
183 18 18 LYS HD3 H 1.58 0.02 2
184 18 18 LYS HE2 H 2.85 0.02 2
185 18 18 LYS HE3 H 2.84 0.02 2
186 18 18 LYS HG2 H 1.26 0.02 2
187 18 18 LYS HG3 H 1.45 0.02 2
188 18 18 LYS CA C 58.4 0.5 1
189 18 18 LYS CB C 31.8 0.5 1
190 18 18 LYS CD C 28.9 0.5 1
191 18 18 LYS CE C 41.8 0.5 1
192 18 18 LYS CG C 24.7 0.5 1
193 18 18 LYS N N 121.0 0.5 1
194 19 19 HIS H H 7.41 0.02 1
195 19 19 HIS HA H 4.72 0.02 1
196 19 19 HIS HB2 H 3.04 0.02 2
197 19 19 HIS HB3 H 3.58 0.02 2
198 19 19 HIS HD2 H 7.24 0.02 1
199 19 19 HIS CA C 54.7 0.5 1
200 19 19 HIS CB C 28.5 0.5 1
201 19 19 HIS CD2 C 120.0 0.5 1
202 19 19 HIS N N 115.8 0.5 1
203 20 20 ASP H H 8.01 0.02 1
204 20 20 ASP HA H 4.37 0.02 1
205 20 20 ASP HB2 H 2.61 0.02 2
206 20 20 ASP HB3 H 3.14 0.02 2
207 20 20 ASP CA C 55.6 0.5 1
208 20 20 ASP CB C 39.6 0.5 1
209 20 20 ASP N N 115.9 0.5 1
210 21 21 ASN H H 8.45 0.02 1
211 21 21 ASN HA H 5.13 0.02 1
212 21 21 ASN HB2 H 2.65 0.02 2
213 21 21 ASN HB3 H 3.06 0.02 2
214 21 21 ASN HD21 H 6.78 0.02 2
215 21 21 ASN HD22 H 7.82 0.02 2
216 21 21 ASN CA C 50.6 0.5 1
217 21 21 ASN CB C 37.0 0.5 1
218 21 21 ASN N N 118.7 0.5 1
219 21 21 ASN ND2 N 112.2 0.5 1
220 22 22 ALA H H 8.01 0.02 1
221 22 22 ALA HA H 3.84 0.02 1
222 22 22 ALA HB H 1.41 0.02 1
223 22 22 ALA CA C 55.3 0.5 1
224 22 22 ALA CB C 18.3 0.5 1
225 22 22 ALA N N 123.3 0.5 1
226 23 23 SER H H 8.67 0.02 1
227 23 23 SER HA H 4.07 0.02 1
228 23 23 SER HB2 H 3.89 0.02 2
229 23 23 SER HB3 H 3.87 0.02 2
230 23 23 SER CA C 61.8 0.5 1
231 23 23 SER CB C 61.9 0.5 1
232 23 23 SER N N 112.5 0.5 1
233 24 24 ARG H H 7.23 0.02 1
234 24 24 ARG HA H 3.96 0.02 1
235 24 24 ARG HB2 H 0.90 0.02 2
236 24 24 ARG HB3 H 1.13 0.02 2
237 24 24 ARG HD2 H 2.79 0.02 2
238 24 24 ARG HD3 H 2.93 0.02 2
239 24 24 ARG HG2 H 1.03 0.02 2
240 24 24 ARG HG3 H 1.16 0.02 2
241 24 24 ARG CA C 57.0 0.5 1
242 24 24 ARG CB C 29.1 0.5 1
243 24 24 ARG CD C 42.2 0.5 1
244 24 24 ARG CG C 25.9 0.5 1
245 24 24 ARG N N 122.3 0.5 1
246 25 25 ALA H H 7.34 0.02 1
247 25 25 ALA HA H 3.57 0.02 1
248 25 25 ALA HB H 1.25 0.02 1
249 25 25 ALA CA C 55.3 0.5 1
250 25 25 ALA CB C 18.7 0.5 1
251 25 25 ALA N N 120.2 0.5 1
252 26 26 LEU H H 8.42 0.02 1
253 26 26 LEU HA H 3.80 0.02 1
254 26 26 LEU HB2 H 1.47 0.02 2
255 26 26 LEU HB3 H 1.86 0.02 2
256 26 26 LEU HD1 H 0.66 0.02 2
257 26 26 LEU HD2 H 0.87 0.02 2
258 26 26 LEU HG H 1.37 0.02 1
259 26 26 LEU CA C 58.3 0.5 1
260 26 26 LEU CB C 41.8 0.5 1
261 26 26 LEU CD1 C 24.3 0.5 1
262 26 26 LEU CD2 C 25.5 0.5 1
263 26 26 LEU CG C 26.4 0.5 1
264 26 26 LEU N N 116.5 0.5 1
265 27 27 ALA H H 7.19 0.02 1
266 27 27 ALA HA H 4.12 0.02 1
267 27 27 ALA HB H 1.41 0.02 1
268 27 27 ALA CA C 54.7 0.5 1
269 27 27 ALA CB C 18.0 0.5 1
270 27 27 ALA N N 118.2 0.5 1
271 28 28 LEU H H 7.50 0.02 1
272 28 28 LEU HA H 4.07 0.02 1
273 28 28 LEU HB2 H 1.67 0.02 2
274 28 28 LEU HB3 H 1.11 0.02 2
275 28 28 LEU HD1 H 0.74 0.02 2
276 28 28 LEU HD2 H 0.86 0.02 2
277 28 28 LEU HG H 1.63 0.02 1
278 28 28 LEU CA C 57.6 0.5 1
279 28 28 LEU CB C 43.1 0.5 1
280 28 28 LEU CD1 C 26.1 0.5 1
281 28 28 LEU CD2 C 23.1 0.5 1
282 28 28 LEU CG C 27.0 0.5 1
283 28 28 LEU N N 118.3 0.5 1
284 29 29 PHE H H 8.69 0.02 1
285 29 29 PHE HA H 4.63 0.02 1
286 29 29 PHE HB2 H 3.03 0.02 2
287 29 29 PHE HB3 H 3.08 0.02 2
288 29 29 PHE HD1 H 7.00 0.02 3
289 29 29 PHE HD2 H 7.00 0.02 3
290 29 29 PHE HE1 H 7.01 0.02 3
291 29 29 PHE HE2 H 7.01 0.02 3
292 29 29 PHE HZ H 6.72 0.02 1
293 29 29 PHE CA C 58.7 0.5 1
294 29 29 PHE CB C 40.3 0.5 1
295 29 29 PHE CD1 C 130.0 0.5 1
296 29 29 PHE CE1 C 130.7 0.5 1
297 29 29 PHE CZ C 128.8 0.5 1
298 29 29 PHE N N 119.0 0.5 1
299 30 30 GLU H H 8.99 0.02 1
300 30 30 GLU HA H 3.79 0.02 1
301 30 30 GLU HB2 H 1.88 0.02 2
302 30 30 GLU HB3 H 2.17 0.02 2
303 30 30 GLU HG2 H 2.18 0.02 2
304 30 30 GLU HG3 H 2.67 0.02 2
305 30 30 GLU CA C 60.1 0.5 1
306 30 30 GLU CB C 29.1 0.5 1
307 30 30 GLU CG C 37.9 0.5 1
308 30 30 GLU N N 117.4 0.5 1
309 31 31 GLU H H 7.83 0.02 1
310 31 31 GLU HA H 4.16 0.02 1
311 31 31 GLU HB2 H 2.13 0.02 2
312 31 31 GLU HB3 H 2.21 0.02 2
313 31 31 GLU HG2 H 2.36 0.02 2
314 31 31 GLU HG3 H 2.36 0.02 2
315 31 31 GLU CA C 58.8 0.5 1
316 31 31 GLU CB C 29.9 0.5 1
317 31 31 GLU CG C 36.6 0.5 1
318 31 31 GLU N N 119.5 0.5 1
319 32 32 LEU H H 7.92 0.02 1
320 32 32 LEU HA H 4.13 0.02 1
321 32 32 LEU HB2 H 1.63 0.02 2
322 32 32 LEU HB3 H 2.28 0.02 2
323 32 32 LEU HD1 H 0.99 0.02 2
324 32 32 LEU HD2 H 0.88 0.02 2
325 32 32 LEU HG H 1.66 0.02 1
326 32 32 LEU CA C 58.2 0.5 1
327 32 32 LEU CB C 43.0 0.5 1
328 32 32 LEU CD1 C 24.4 0.5 1
329 32 32 LEU CD2 C 24.7 0.5 1
330 32 32 LEU CG C 28.3 0.5 1
331 32 32 LEU N N 122.0 0.5 1
332 33 33 VAL H H 7.46 0.02 1
333 33 33 VAL HA H 3.59 0.02 1
334 33 33 VAL HB H 2.03 0.02 1
335 33 33 VAL HG1 H 0.92 0.02 2
336 33 33 VAL HG2 H 0.75 0.02 2
337 33 33 VAL CA C 65.8 0.5 1
338 33 33 VAL CB C 31.5 0.5 1
339 33 33 VAL CG1 C 21.5 0.5 1
340 33 33 VAL CG2 C 22.1 0.5 1
341 33 33 VAL N N 116.0 0.5 1
342 34 34 GLU H H 7.21 0.02 1
343 34 34 GLU HA H 4.13 0.02 1
344 34 34 GLU HB2 H 2.20 0.02 2
345 34 34 GLU HB3 H 2.21 0.02 2
346 34 34 GLU HG2 H 2.21 0.02 2
347 34 34 GLU HG3 H 2.37 0.02 2
348 34 34 GLU CA C 58.5 0.5 1
349 34 34 GLU CB C 29.9 0.5 1
350 34 34 GLU CG C 36.0 0.5 1
351 34 34 GLU N N 117.4 0.5 1
352 35 35 THR H H 9.10 0.02 1
353 35 35 THR HA H 4.18 0.02 1
354 35 35 THR HB H 4.31 0.02 1
355 35 35 THR HG2 H 1.29 0.02 1
356 35 35 THR CA C 63.9 0.5 1
357 35 35 THR CB C 69.3 0.5 1
358 35 35 THR CG2 C 20.8 0.5 1
359 35 35 THR N N 109.9 0.5 1
360 36 36 ASP H H 8.63 0.02 1
361 36 36 ASP HA H 5.30 0.02 1
362 36 36 ASP HB2 H 2.67 0.02 2
363 36 36 ASP HB3 H 2.52 0.02 2
364 36 36 ASP CA C 52.7 0.5 1
365 36 36 ASP CB C 42.4 0.5 1
366 36 36 ASP N N 122.8 0.5 1
367 37 37 PRO HA H 4.56 0.02 1
368 37 37 PRO HB2 H 2.71 0.02 2
369 37 37 PRO HB3 H 2.03 0.02 2
370 37 37 PRO HD2 H 3.34 0.02 2
371 37 37 PRO HD3 H 3.67 0.02 2
372 37 37 PRO HG2 H 2.09 0.02 2
373 37 37 PRO HG3 H 1.94 0.02 2
374 37 37 PRO CA C 64.4 0.5 1
375 37 37 PRO CB C 31.1 0.5 1
376 37 37 PRO CD C 50.4 0.5 1
377 37 37 PRO CG C 27.1 0.5 1
378 38 38 ASP H H 8.63 0.02 1
379 38 38 ASP HA H 4.57 0.02 1
380 38 38 ASP HB2 H 2.73 0.02 2
381 38 38 ASP HB3 H 2.73 0.02 2
382 38 38 ASP CA C 53.8 0.5 1
383 38 38 ASP CB C 39.5 0.5 1
384 38 38 ASP N N 113.7 0.5 1
385 39 39 TYR H H 8.11 0.02 1
386 39 39 TYR HA H 4.54 0.02 1
387 39 39 TYR HB2 H 2.84 0.02 2
388 39 39 TYR HB3 H 3.47 0.02 2
389 39 39 TYR HD1 H 7.25 0.02 3
390 39 39 TYR HD2 H 7.25 0.02 3
391 39 39 TYR HE1 H 6.35 0.02 3
392 39 39 TYR HE2 H 6.35 0.02 3
393 39 39 TYR CA C 58.5 0.5 1
394 39 39 TYR CB C 36.5 0.5 1
395 39 39 TYR CD1 C 133.4 0.5 1
396 39 39 TYR CE1 C 117.4 0.5 1
397 39 39 TYR N N 123.7 0.5 1
398 40 40 VAL H H 7.88 0.02 1
399 40 40 VAL HA H 3.77 0.02 1
400 40 40 VAL HB H 1.87 0.02 1
401 40 40 VAL HG1 H 0.81 0.02 2
402 40 40 VAL HG2 H 0.92 0.02 2
403 40 40 VAL CA C 65.0 0.5 1
404 40 40 VAL CB C 32.5 0.5 1
405 40 40 VAL CG1 C 20.3 0.5 1
406 40 40 VAL CG2 C 23.1 0.5 1
407 40 40 VAL N N 128.1 0.5 1
408 41 41 GLY H H 7.53 0.02 1
409 41 41 GLY HA2 H 3.41 0.02 2
410 41 41 GLY HA3 H 3.88 0.02 2
411 41 41 GLY CA C 46.4 0.5 1
412 41 41 GLY N N 105.9 0.5 1
413 42 42 THR H H 7.15 0.02 1
414 42 42 THR HA H 3.58 0.02 1
415 42 42 THR HB H 3.27 0.02 1
416 42 42 THR HG1 H 5.58 0.02 1
417 42 42 THR HG2 H 1.08 0.02 1
418 42 42 THR CA C 65.6 0.5 1
419 42 42 THR CB C 68.9 0.5 1
420 42 42 THR CG2 C 25.5 0.5 1
421 42 42 THR N N 111.9 0.5 1
422 43 43 TYR H H 7.04 0.02 1
423 43 43 TYR HA H 3.46 0.02 1
424 43 43 TYR HB2 H 2.93 0.02 2
425 43 43 TYR HB3 H 3.02 0.02 2
426 43 43 TYR HD1 H 7.56 0.02 3
427 43 43 TYR HD2 H 7.56 0.02 3
428 43 43 TYR HE1 H 6.88 0.02 3
429 43 43 TYR HE2 H 6.88 0.02 3
430 43 43 TYR CA C 64.1 0.5 1
431 43 43 TYR CB C 38.3 0.5 1
432 43 43 TYR CD1 C 132.9 0.5 1
433 43 43 TYR CE1 C 118.4 0.5 1
434 43 43 TYR N N 113.5 0.5 1
435 44 44 TYR H H 9.77 0.02 1
436 44 44 TYR HA H 3.99 0.02 1
437 44 44 TYR HB2 H 2.54 0.02 2
438 44 44 TYR HB3 H 3.01 0.02 2
439 44 44 TYR HD1 H 6.03 0.02 3
440 44 44 TYR HD2 H 6.03 0.02 3
441 44 44 TYR HE1 H 6.54 0.02 3
442 44 44 TYR HE2 H 6.54 0.02 3
443 44 44 TYR CA C 61.9 0.5 1
444 44 44 TYR CB C 38.8 0.5 1
445 44 44 TYR CD1 C 132.1 0.5 1
446 44 44 TYR CE1 C 118.3 0.5 1
447 44 44 TYR N N 119.8 0.5 1
448 45 45 HIS H H 6.38 0.02 1
449 45 45 HIS HA H 3.77 0.02 1
450 45 45 HIS HB2 H 2.17 0.02 2
451 45 45 HIS HB3 H 2.66 0.02 2
452 45 45 HIS HD2 H 7.82 0.02 1
453 45 45 HIS HE1 H 7.95 0.02 1
454 45 45 HIS CA C 58.5 0.5 1
455 45 45 HIS CB C 31.6 0.5 1
456 45 45 HIS CD2 C 120.3 0.5 1
457 45 45 HIS CE1 C 139.2 0.5 1
458 45 45 HIS N N 114.5 0.5 1
459 46 46 LEU H H 8.36 0.02 1
460 46 46 LEU HA H 3.66 0.02 1
461 46 46 LEU HB2 H 0.79 0.02 2
462 46 46 LEU HB3 H 1.48 0.02 2
463 46 46 LEU HD1 H 0.39 0.02 2
464 46 46 LEU HD2 H 0.70 0.02 2
465 46 46 LEU HG H 1.17 0.02 1
466 46 46 LEU CA C 57.1 0.5 1
467 46 46 LEU CB C 40.8 0.5 1
468 46 46 LEU CD1 C 21.6 0.5 1
469 46 46 LEU CD2 C 25.8 0.5 1
470 46 46 LEU CG C 26.7 0.5 1
471 46 46 LEU N N 121.1 0.5 1
472 47 47 GLY H H 8.44 0.02 1
473 47 47 GLY HA2 H 3.35 0.02 2
474 47 47 GLY HA3 H 3.53 0.02 2
475 47 47 GLY CA C 47.2 0.5 1
476 47 47 GLY N N 106.5 0.5 1
477 48 48 LYS H H 7.97 0.02 1
478 48 48 LYS HA H 3.80 0.02 1
479 48 48 LYS HB2 H 1.50 0.02 2
480 48 48 LYS HB3 H 1.83 0.02 2
481 48 48 LYS HD2 H 1.36 0.02 2
482 48 48 LYS HD3 H 1.51 0.02 2
483 48 48 LYS HE2 H 2.55 0.02 2
484 48 48 LYS HE3 H 2.81 0.02 2
485 48 48 LYS HG2 H 0.85 0.02 2
486 48 48 LYS HG3 H 1.17 0.02 2
487 48 48 LYS CA C 58.2 0.5 1
488 48 48 LYS CB C 31.6 0.5 1
489 48 48 LYS CD C 28.2 0.5 1
490 48 48 LYS CE C 41.8 0.5 1
491 48 48 LYS CG C 23.4 0.5 1
492 48 48 LYS N N 120.5 0.5 1
493 49 49 LEU H H 7.80 0.02 1
494 49 49 LEU HA H 4.17 0.02 1
495 49 49 LEU HB2 H 1.61 0.02 2
496 49 49 LEU HB3 H 1.86 0.02 2
497 49 49 LEU HD1 H 0.99 0.02 2
498 49 49 LEU HD2 H 0.96 0.02 2
499 49 49 LEU HG H 1.60 0.02 1
500 49 49 LEU CA C 57.5 0.5 1
501 49 49 LEU CB C 41.0 0.5 1
502 49 49 LEU CD1 C 23.5 0.5 1
503 49 49 LEU CD2 C 26.2 0.5 1
504 49 49 LEU CG C 27.0 0.5 1
505 49 49 LEU N N 124.0 0.5 1
506 50 50 TYR H H 8.61 0.02 1
507 50 50 TYR HA H 4.42 0.02 1
508 50 50 TYR HB2 H 2.91 0.02 2
509 50 50 TYR HB3 H 3.39 0.02 2
510 50 50 TYR HD1 H 6.54 0.02 3
511 50 50 TYR HD2 H 6.54 0.02 3
512 50 50 TYR HE1 H 6.72 0.02 3
513 50 50 TYR HE2 H 6.72 0.02 3
514 50 50 TYR CA C 59.6 0.5 1
515 50 50 TYR CB C 35.6 0.5 1
516 50 50 TYR CD1 C 129.6 0.5 1
517 50 50 TYR CE1 C 118.9 0.5 1
518 50 50 TYR N N 119.0 0.5 1
519 51 51 GLU H H 8.41 0.02 1
520 51 51 GLU HA H 3.76 0.02 1
521 51 51 GLU HB2 H 2.24 0.02 2
522 51 51 GLU HB3 H 2.16 0.02 2
523 51 51 GLU HG2 H 1.89 0.02 2
524 51 51 GLU HG3 H 2.65 0.02 2
525 51 51 GLU CA C 61.6 0.5 1
526 51 51 GLU CB C 29.8 0.5 1
527 51 51 GLU CG C 38.4 0.5 1
528 51 51 GLU N N 118.6 0.5 1
529 52 52 ARG H H 7.91 0.02 1
530 52 52 ARG HA H 4.15 0.02 1
531 52 52 ARG HB2 H 2.17 0.02 2
532 52 52 ARG HB3 H 2.10 0.02 2
533 52 52 ARG HD2 H 3.13 0.02 2
534 52 52 ARG HD3 H 3.21 0.02 2
535 52 52 ARG HG2 H 1.67 0.02 2
536 52 52 ARG HG3 H 1.90 0.02 2
537 52 52 ARG CA C 58.6 0.5 1
538 52 52 ARG CB C 29.6 0.5 1
539 52 52 ARG CD C 43.8 0.5 1
540 52 52 ARG CG C 26.9 0.5 1
541 52 52 ARG N N 122.2 0.5 1
542 53 53 LEU H H 7.74 0.02 1
543 53 53 LEU HA H 4.40 0.02 1
544 53 53 LEU HB2 H 1.84 0.02 2
545 53 53 LEU HB3 H 1.77 0.02 2
546 53 53 LEU HD1 H 0.91 0.02 2
547 53 53 LEU HD2 H 0.82 0.02 2
548 53 53 LEU HG H 1.84 0.02 1
549 53 53 LEU CA C 54.1 0.5 1
550 53 53 LEU CB C 41.4 0.5 1
551 53 53 LEU CD1 C 26.5 0.5 1
552 53 53 LEU CD2 C 21.6 0.5 1
553 53 53 LEU CG C 26.3 0.5 1
554 53 53 LEU N N 119.4 0.5 1
555 54 54 ASP H H 8.09 0.02 1
556 54 54 ASP HA H 4.41 0.02 1
557 54 54 ASP HB2 H 2.69 0.02 2
558 54 54 ASP HB3 H 3.19 0.02 2
559 54 54 ASP CA C 55.5 0.5 1
560 54 54 ASP CB C 38.9 0.5 1
561 54 54 ASP N N 116.3 0.5 1
562 55 55 ARG H H 8.42 0.02 1
563 55 55 ARG HA H 4.68 0.02 1
564 55 55 ARG HB2 H 1.45 0.02 2
565 55 55 ARG HB3 H 2.19 0.02 2
566 55 55 ARG HD2 H 2.87 0.02 2
567 55 55 ARG HD3 H 3.48 0.02 2
568 55 55 ARG HE H 7.41 0.02 1
569 55 55 ARG HG2 H 1.55 0.02 2
570 55 55 ARG HG3 H 1.72 0.02 2
571 55 55 ARG CA C 54.0 0.5 1
572 55 55 ARG CB C 29.8 0.5 1
573 55 55 ARG CD C 44.5 0.5 1
574 55 55 ARG CG C 24.6 0.5 1
575 55 55 ARG N N 120.8 0.5 1
576 55 55 ARG NE N 83.1 0.5 1
577 56 56 THR H H 7.87 0.02 1
578 56 56 THR HA H 3.51 0.02 1
579 56 56 THR HB H 3.96 0.02 1
580 56 56 THR HG2 H 1.22 0.02 1
581 56 56 THR CA C 67.5 0.5 1
582 56 56 THR CB C 68.0 0.5 1
583 56 56 THR CG2 C 23.1 0.5 1
584 56 56 THR N N 117.3 0.5 1
585 57 57 ASP H H 8.45 0.02 1
586 57 57 ASP HA H 4.26 0.02 1
587 57 57 ASP HB2 H 2.56 0.02 2
588 57 57 ASP HB3 H 2.64 0.02 2
589 57 57 ASP CA C 57.9 0.5 1
590 57 57 ASP CB C 39.1 0.5 1
591 57 57 ASP N N 120.3 0.5 1
592 58 58 ASP H H 7.54 0.02 1
593 58 58 ASP HA H 4.17 0.02 1
594 58 58 ASP HB2 H 1.41 0.02 2
595 58 58 ASP HB3 H 1.86 0.02 2
596 58 58 ASP CA C 56.9 0.5 1
597 58 58 ASP CB C 38.4 0.5 1
598 58 58 ASP N N 120.2 0.5 1
599 59 59 ALA H H 8.11 0.02 1
600 59 59 ALA HA H 3.76 0.02 1
601 59 59 ALA HB H 1.51 0.02 1
602 59 59 ALA CA C 56.0 0.5 1
603 59 59 ALA CB C 19.2 0.5 1
604 59 59 ALA N N 124.7 0.5 1
605 60 60 ILE H H 8.23 0.02 1
606 60 60 ILE HA H 3.52 0.02 1
607 60 60 ILE HB H 1.88 0.02 1
608 60 60 ILE HD1 H 0.76 0.02 1
609 60 60 ILE HG12 H 0.94 0.02 2
610 60 60 ILE HG13 H 1.89 0.02 2
611 60 60 ILE HG2 H 0.99 0.02 1
612 60 60 ILE CA C 66.8 0.5 1
613 60 60 ILE CB C 38.4 0.5 1
614 60 60 ILE CD1 C 14.1 0.5 1
615 60 60 ILE CG1 C 31.2 0.5 1
616 60 60 ILE CG2 C 17.7 0.5 1
617 60 60 ILE N N 117.6 0.5 1
618 61 61 ASP H H 7.75 0.02 1
619 61 61 ASP HA H 4.44 0.02 1
620 61 61 ASP HB2 H 2.71 0.02 2
621 61 61 ASP HB3 H 2.74 0.02 2
622 61 61 ASP CA C 57.1 0.5 1
623 61 61 ASP CB C 40.5 0.5 1
624 61 61 ASP N N 118.3 0.5 1
625 62 62 THR H H 8.04 0.02 1
626 62 62 THR HA H 4.07 0.02 1
627 62 62 THR HB H 4.25 0.02 1
628 62 62 THR HG2 H 1.35 0.02 1
629 62 62 THR CA C 68.0 0.5 1
630 62 62 THR CB C 68.6 0.5 1
631 62 62 THR CG2 C 22.3 0.5 1
632 62 62 THR N N 119.8 0.5 1
633 63 63 TYR H H 8.97 0.02 1
634 63 63 TYR HA H 4.48 0.02 1
635 63 63 TYR HB2 H 3.23 0.02 2
636 63 63 TYR HB3 H 2.89 0.02 2
637 63 63 TYR HD1 H 6.74 0.02 3
638 63 63 TYR HD2 H 6.74 0.02 3
639 63 63 TYR HE1 H 6.71 0.02 3
640 63 63 TYR HE2 H 6.71 0.02 3
641 63 63 TYR CA C 59.2 0.5 1
642 63 63 TYR CB C 37.7 0.5 1
643 63 63 TYR CD1 C 129.2 0.5 1
644 63 63 TYR CE1 C 119.0 0.5 1
645 63 63 TYR N N 121.7 0.5 1
646 64 64 ALA H H 8.69 0.02 1
647 64 64 ALA HA H 4.00 0.02 1
648 64 64 ALA HB H 1.58 0.02 1
649 64 64 ALA CA C 55.5 0.5 1
650 64 64 ALA CB C 17.8 0.5 1
651 64 64 ALA N N 119.4 0.5 1
652 65 65 GLN H H 8.10 0.02 1
653 65 65 GLN HA H 4.01 0.02 1
654 65 65 GLN HB2 H 2.33 0.02 2
655 65 65 GLN HB3 H 2.13 0.02 2
656 65 65 GLN HE21 H 6.89 0.02 2
657 65 65 GLN HE22 H 7.37 0.02 2
658 65 65 GLN HG2 H 2.42 0.02 2
659 65 65 GLN HG3 H 2.50 0.02 2
660 65 65 GLN CA C 58.6 0.5 1
661 65 65 GLN CB C 28.5 0.5 1
662 65 65 GLN CG C 33.9 0.5 1
663 65 65 GLN N N 119.6 0.5 1
664 65 65 GLN NE2 N 111.7 0.5 1
665 66 66 GLY H H 8.43 0.02 1
666 66 66 GLY HA2 H 3.08 0.02 2
667 66 66 GLY HA3 H 2.52 0.02 2
668 66 66 GLY CA C 46.8 0.5 1
669 66 66 GLY N N 108.2 0.5 1
670 67 67 ILE H H 8.57 0.02 1
671 67 67 ILE HA H 3.32 0.02 1
672 67 67 ILE HB H 1.90 0.02 1
673 67 67 ILE HD1 H 0.76 0.02 1
674 67 67 ILE HG12 H 0.75 0.02 2
675 67 67 ILE HG13 H 1.98 0.02 2
676 67 67 ILE HG2 H 0.80 0.02 1
677 67 67 ILE CA C 65.9 0.5 1
678 67 67 ILE CB C 38.4 0.5 1
679 67 67 ILE CD1 C 14.7 0.5 1
680 67 67 ILE CG1 C 32.1 0.5 1
681 67 67 ILE CG2 C 16.1 0.5 1
682 67 67 ILE N N 123.5 0.5 1
683 68 68 GLU H H 7.03 0.02 1
684 68 68 GLU HA H 3.96 0.02 1
685 68 68 GLU HB2 H 2.10 0.02 2
686 68 68 GLU HB3 H 2.10 0.02 2
687 68 68 GLU HG2 H 2.31 0.02 2
688 68 68 GLU HG3 H 2.41 0.02 2
689 68 68 GLU CA C 58.7 0.5 1
690 68 68 GLU CB C 28.5 0.5 1
691 68 68 GLU CG C 35.6 0.5 1
692 68 68 GLU N N 116.5 0.5 1
693 69 69 VAL H H 7.44 0.02 1
694 69 69 VAL HA H 3.74 0.02 1
695 69 69 VAL HB H 1.87 0.02 1
696 69 69 VAL HG1 H 0.90 0.02 2
697 69 69 VAL HG2 H 1.00 0.02 2
698 69 69 VAL CA C 65.7 0.5 1
699 69 69 VAL CB C 32.0 0.5 1
700 69 69 VAL CG1 C 20.9 0.5 1
701 69 69 VAL CG2 C 21.5 0.5 1
702 69 69 VAL N N 119.5 0.5 1
703 70 70 ALA H H 9.29 0.02 1
704 70 70 ALA HA H 3.82 0.02 1
705 70 70 ALA HB H 1.26 0.02 1
706 70 70 ALA CA C 54.4 0.5 1
707 70 70 ALA CB C 18.0 0.5 1
708 70 70 ALA N N 122.5 0.5 1
709 71 71 ARG H H 8.28 0.02 1
710 71 71 ARG HA H 3.87 0.02 1
711 71 71 ARG HB2 H 1.91 0.02 2
712 71 71 ARG HB3 H 1.85 0.02 2
713 71 71 ARG HD2 H 3.17 0.02 2
714 71 71 ARG HD3 H 3.17 0.02 2
715 71 71 ARG HE H 7.27 0.02 1
716 71 71 ARG HG2 H 1.58 0.02 2
717 71 71 ARG HG3 H 1.82 0.02 2
718 71 71 ARG CA C 59.5 0.5 1
719 71 71 ARG CB C 30.0 0.5 1
720 71 71 ARG CD C 43.1 0.5 1
721 71 71 ARG CG C 27.7 0.5 1
722 71 71 ARG N N 116.9 0.5 1
723 71 71 ARG NE N 84.1 0.5 1
724 72 72 GLU H H 7.39 0.02 1
725 72 72 GLU HA H 4.30 0.02 1
726 72 72 GLU HB2 H 2.10 0.02 2
727 72 72 GLU HB3 H 2.19 0.02 2
728 72 72 GLU HG2 H 2.32 0.02 2
729 72 72 GLU HG3 H 2.39 0.02 2
730 72 72 GLU CA C 57.7 0.5 1
731 72 72 GLU CB C 30.5 0.5 1
732 72 72 GLU CG C 35.6 0.5 1
733 72 72 GLU N N 116.8 0.5 1
734 73 73 GLU H H 8.49 0.02 1
735 73 73 GLU HA H 4.55 0.02 1
736 73 73 GLU HB2 H 2.32 0.02 2
737 73 73 GLU HB3 H 1.78 0.02 2
738 73 73 GLU HG2 H 2.37 0.02 2
739 73 73 GLU HG3 H 2.47 0.02 2
740 73 73 GLU CA C 55.9 0.5 1
741 73 73 GLU CB C 30.8 0.5 1
742 73 73 GLU CG C 34.9 0.5 1
743 73 73 GLU N N 115.0 0.5 1
744 74 74 GLY H H 8.07 0.02 1
745 74 74 GLY HA2 H 4.45 0.02 2
746 74 74 GLY HA3 H 3.83 0.02 2
747 74 74 GLY CA C 44.6 0.5 1
748 74 74 GLY N N 108.1 0.5 1
749 75 75 THR H H 8.76 0.02 1
750 75 75 THR HA H 4.67 0.02 1
751 75 75 THR HB H 4.58 0.02 1
752 75 75 THR HG2 H 1.30 0.02 1
753 75 75 THR CA C 59.0 0.5 1
754 75 75 THR CB C 70.9 0.5 1
755 75 75 THR CG2 C 21.1 0.5 1
756 75 75 THR N N 111.4 0.5 1
757 76 76 GLN H H 8.71 0.02 1
758 76 76 GLN HA H 3.94 0.02 1
759 76 76 GLN HB2 H 2.08 0.02 2
760 76 76 GLN HB3 H 2.08 0.02 2
761 76 76 GLN HE21 H 6.86 0.02 2
762 76 76 GLN HE22 H 7.50 0.02 2
763 76 76 GLN HG2 H 2.42 0.02 2
764 76 76 GLN HG3 H 2.41 0.02 2
765 76 76 GLN CA C 58.7 0.5 1
766 76 76 GLN CB C 27.9 0.5 1
767 76 76 GLN CG C 33.6 0.5 1
768 76 76 GLN N N 123.1 0.5 1
769 76 76 GLN NE2 N 112.9 0.5 1
770 77 77 LYS H H 8.24 0.02 1
771 77 77 LYS HA H 4.00 0.02 1
772 77 77 LYS HB2 H 1.64 0.02 2
773 77 77 LYS HB3 H 1.79 0.02 2
774 77 77 LYS HD2 H 1.57 0.02 2
775 77 77 LYS HD3 H 1.57 0.02 2
776 77 77 LYS HE2 H 2.86 0.02 2
777 77 77 LYS HE3 H 2.86 0.02 2
778 77 77 LYS HG2 H 1.27 0.02 2
779 77 77 LYS HG3 H 1.34 0.02 2
780 77 77 LYS CA C 59.2 0.5 1
781 77 77 LYS CB C 31.9 0.5 1
782 77 77 LYS CD C 28.9 0.5 1
783 77 77 LYS CE C 41.9 0.5 1
784 77 77 LYS CG C 24.4 0.5 1
785 77 77 LYS N N 121.0 0.5 1
786 78 78 ASP H H 7.39 0.02 1
787 78 78 ASP HA H 4.17 0.02 1
788 78 78 ASP HB2 H 2.39 0.02 2
789 78 78 ASP HB3 H 2.65 0.02 2
790 78 78 ASP CA C 57.0 0.5 1
791 78 78 ASP CB C 41.4 0.5 1
792 78 78 ASP N N 117.8 0.5 1
793 79 79 LEU H H 7.69 0.02 1
794 79 79 LEU HA H 3.77 0.02 1
795 79 79 LEU HB2 H 1.37 0.02 2
796 79 79 LEU HB3 H 1.84 0.02 2
797 79 79 LEU HD1 H 0.90 0.02 2
798 79 79 LEU HD2 H 0.85 0.02 2
799 79 79 LEU HG H 1.44 0.02 1
800 79 79 LEU CA C 58.1 0.5 1
801 79 79 LEU CB C 42.1 0.5 1
802 79 79 LEU CD1 C 25.3 0.5 1
803 79 79 LEU CD2 C 25.8 0.5 1
804 79 79 LEU CG C 27.0 0.5 1
805 79 79 LEU N N 118.4 0.5 1
806 80 80 SER H H 8.40 0.02 1
807 80 80 SER HA H 4.17 0.02 1
808 80 80 SER HB2 H 3.92 0.02 2
809 80 80 SER HB3 H 3.92 0.02 2
810 80 80 SER CA C 61.5 0.5 1
811 80 80 SER CB C 62.5 0.5 1
812 80 80 SER N N 114.0 0.5 1
813 81 81 GLU H H 7.93 0.02 1
814 81 81 GLU HA H 4.03 0.02 1
815 81 81 GLU HB2 H 1.89 0.02 2
816 81 81 GLU HB3 H 1.98 0.02 2
817 81 81 GLU HG2 H 2.00 0.02 2
818 81 81 GLU HG3 H 2.00 0.02 2
819 81 81 GLU CA C 59.0 0.5 1
820 81 81 GLU CB C 29.0 0.5 1
821 81 81 GLU CG C 36.0 0.5 1
822 81 81 GLU N N 121.0 0.5 1
823 82 82 LEU H H 7.87 0.02 1
824 82 82 LEU HA H 3.89 0.02 1
825 82 82 LEU HB2 H 1.98 0.02 2
826 82 82 LEU HB3 H 1.37 0.02 2
827 82 82 LEU HD1 H 0.73 0.02 2
828 82 82 LEU HD2 H 1.24 0.02 2
829 82 82 LEU HG H 1.95 0.02 1
830 82 82 LEU CA C 57.9 0.5 1
831 82 82 LEU CB C 43.9 0.5 1
832 82 82 LEU CD1 C 25.1 0.5 1
833 82 82 LEU CD2 C 23.9 0.5 1
834 82 82 LEU CG C 27.5 0.5 1
835 82 82 LEU N N 120.9 0.5 1
836 83 83 GLN H H 8.52 0.02 1
837 83 83 GLN HA H 3.90 0.02 1
838 83 83 GLN HB2 H 2.22 0.02 2
839 83 83 GLN HB3 H 1.95 0.02 2
840 83 83 GLN HE21 H 7.10 0.02 2
841 83 83 GLN HE22 H 6.81 0.02 2
842 83 83 GLN HG2 H 2.27 0.02 2
843 83 83 GLN HG3 H 2.53 0.02 2
844 83 83 GLN CA C 59.2 0.5 1
845 83 83 GLN CB C 28.3 0.5 1
846 83 83 GLN CG C 34.4 0.5 1
847 83 83 GLN N N 118.3 0.5 1
848 83 83 GLN NE2 N 110.2 0.5 1
849 84 84 ASP H H 8.14 0.02 1
850 84 84 ASP HA H 4.34 0.02 1
851 84 84 ASP HB2 H 2.57 0.02 2
852 84 84 ASP HB3 H 2.73 0.02 2
853 84 84 ASP CA C 57.1 0.5 1
854 84 84 ASP CB C 41.0 0.5 1
855 84 84 ASP N N 119.7 0.5 1
856 85 85 ALA H H 7.74 0.02 1
857 85 85 ALA HA H 3.81 0.02 1
858 85 85 ALA HB H 0.78 0.02 1
859 85 85 ALA CA C 54.6 0.5 1
860 85 85 ALA CB C 16.2 0.5 1
861 85 85 ALA N N 121.6 0.5 1
862 86 86 LYS H H 8.07 0.02 1
863 86 86 LYS HA H 3.81 0.02 1
864 86 86 LYS HB2 H 1.70 0.02 2
865 86 86 LYS HB3 H 1.93 0.02 2
866 86 86 LYS HD2 H 1.59 0.02 2
867 86 86 LYS HD3 H 1.59 0.02 2
868 86 86 LYS HE2 H 3.10 0.02 2
869 86 86 LYS HE3 H 2.89 0.02 2
870 86 86 LYS HG2 H 1.41 0.02 2
871 86 86 LYS HG3 H 1.63 0.02 2
872 86 86 LYS CA C 60.6 0.5 1
873 86 86 LYS CB C 33.3 0.5 1
874 86 86 LYS CD C 30.7 0.5 1
875 86 86 LYS CE C 41.9 0.5 1
876 86 86 LYS CG C 25.4 0.5 1
877 86 86 LYS N N 120.2 0.5 1
878 87 87 LEU H H 7.78 0.02 1
879 87 87 LEU HA H 4.16 0.02 1
880 87 87 LEU HB2 H 1.62 0.02 2
881 87 87 LEU HB3 H 1.74 0.02 2
882 87 87 LEU HD1 H 0.87 0.02 2
883 87 87 LEU HD2 H 0.86 0.02 2
884 87 87 LEU HG H 1.66 0.02 1
885 87 87 LEU CA C 57.5 0.5 1
886 87 87 LEU CB C 41.9 0.5 1
887 87 87 LEU CD1 C 24.5 0.5 1
888 87 87 LEU CD2 C 24.1 0.5 1
889 87 87 LEU CG C 26.7 0.5 1
890 87 87 LEU N N 118.4 0.5 1
891 88 88 LYS H H 7.90 0.02 1
892 88 88 LYS HA H 3.96 0.02 1
893 88 88 LYS HB2 H 1.79 0.02 2
894 88 88 LYS HB3 H 1.81 0.02 2
895 88 88 LYS HD2 H 1.61 0.02 2
896 88 88 LYS HD3 H 1.60 0.02 2
897 88 88 LYS HE2 H 2.94 0.02 2
898 88 88 LYS HE3 H 2.94 0.02 2
899 88 88 LYS HG2 H 1.50 0.02 2
900 88 88 LYS HG3 H 1.38 0.02 2
901 88 88 LYS CA C 59.2 0.5 1
902 88 88 LYS CB C 32.0 0.5 1
903 88 88 LYS CD C 28.9 0.5 1
904 88 88 LYS CE C 41.8 0.5 1
905 88 88 LYS CG C 25.4 0.5 1
906 88 88 LYS N N 118.7 0.5 1
907 89 89 ALA H H 8.00 0.02 1
908 89 89 ALA HA H 4.15 0.02 1
909 89 89 ALA HB H 1.53 0.02 1
910 89 89 ALA CA C 54.5 0.5 1
911 89 89 ALA CB C 17.8 0.5 1
912 89 89 ALA N N 122.4 0.5 1
913 90 90 GLU H H 8.30 0.02 1
914 90 90 GLU HA H 3.93 0.02 1
915 90 90 GLU HB2 H 2.24 0.02 2
916 90 90 GLU HB3 H 1.98 0.02 2
917 90 90 GLU HG2 H 2.23 0.02 2
918 90 90 GLU HG3 H 2.59 0.02 2
919 90 90 GLU CA C 58.0 0.5 1
920 90 90 GLU CB C 29.7 0.5 1
921 90 90 GLU CG C 37.2 0.5 1
922 90 90 GLU N N 116.7 0.5 1
923 91 91 GLY H H 7.71 0.02 1
924 91 91 GLY HA2 H 4.07 0.02 2
925 91 91 GLY HA3 H 3.87 0.02 2
926 91 91 GLY CA C 45.5 0.5 1
927 91 91 GLY N N 106.0 0.5 1
928 92 92 LEU H H 7.64 0.02 1
929 92 92 LEU HA H 4.27 0.02 1
930 92 92 LEU HB2 H 1.76 0.02 2
931 92 92 LEU HB3 H 1.52 0.02 2
932 92 92 LEU HD1 H 0.91 0.02 2
933 92 92 LEU HD2 H 0.84 0.02 2
934 92 92 LEU HG H 1.75 0.02 1
935 92 92 LEU CA C 55.2 0.5 1
936 92 92 LEU CB C 42.1 0.5 1
937 92 92 LEU CD1 C 25.2 0.5 1
938 92 92 LEU CD2 C 22.7 0.5 1
939 92 92 LEU CG C 26.6 0.5 1
940 92 92 LEU N N 121.2 0.5 1
941 93 93 GLU H H 8.29 0.02 1
942 93 93 GLU HA H 4.13 0.02 1
943 93 93 GLU HB2 H 1.90 0.02 2
944 93 93 GLU HB3 H 1.89 0.02 2
945 93 93 GLU HG2 H 2.10 0.02 2
946 93 93 GLU HG3 H 2.19 0.02 2
947 93 93 GLU CA C 56.7 0.5 1
948 93 93 GLU CB C 29.7 0.5 1
949 93 93 GLU CG C 36.0 0.5 1
950 93 93 GLU N N 120.2 0.5 1
951 94 94 HIS H H 8.26 0.02 1
952 94 94 HIS HA H 4.56 0.02 1
953 94 94 HIS HB2 H 3.07 0.02 2
954 94 94 HIS HB3 H 3.08 0.02 2
955 94 94 HIS CA C 55.4 0.5 1
956 94 94 HIS CB C 29.7 0.5 1
957 94 94 HIS N N 118.9 0.5 1
958 95 95 HIS H H 8.17 0.02 1
959 95 95 HIS HA H 4.41 0.02 1
960 95 95 HIS HB2 H 3.19 0.02 2
961 95 95 HIS HB3 H 3.18 0.02 2
962 95 95 HIS CA C 57.0 0.5 1
963 95 95 HIS CB C 30.0 0.5 1
964 95 95 HIS N N 125.4 0.5 1
stop_
save_