data_25575
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Structure of SAP30L corepressor protein
;
_BMRB_accession_number 25575
_BMRB_flat_file_name bmr25575.str
_Entry_type original
_Submission_date 2015-04-23
_Accession_date 2015-04-23
_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 Tossavainen Helena . .
2 Permi Perttu . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 426
"13C chemical shifts" 247
"15N chemical shifts" 64
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2016-08-24 update BMRB 'update entry citation'
2015-11-23 original author 'original release'
stop_
_Original_release_date 2015-11-23
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Redox-dependent disulfide bond formation in SAP30L corepressor protein: Implications for structure and function
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 26609676
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Laitaoja Mikko . .
2 Tossavainen Helena . .
3 Pihlajamaa Tero . .
4 Valjakka Jarkko . .
5 Viiri Keijo . .
6 Lohi Olli . .
7 Permi Perttu . .
8 Janis Janne . .
stop_
_Journal_abbreviation 'Protein Sci.'
_Journal_volume 25
_Journal_issue 3
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 572
_Page_last 586
_Year 2016
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'SAP30L corepressor protein'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
entity_1 $entity_1
'ZINC ION' $entity_ZN
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_entity_1
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common entity_1
_Molecular_mass 8120.513
_Mol_thiol_state 'other bound and free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 70
_Mol_residue_sequence
;
GSYGQSCCLIEDGERCVRPA
GNASFSKRVQKSISQKKLKL
DIDKSVRHLYICDFHKNFIQ
SVRNKRKRKT
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 23 GLY 2 24 SER 3 25 TYR 4 26 GLY 5 27 GLN
6 28 SER 7 29 CYS 8 30 CYS 9 31 LEU 10 32 ILE
11 33 GLU 12 34 ASP 13 35 GLY 14 36 GLU 15 37 ARG
16 38 CYS 17 39 VAL 18 40 ARG 19 41 PRO 20 42 ALA
21 43 GLY 22 44 ASN 23 45 ALA 24 46 SER 25 47 PHE
26 48 SER 27 49 LYS 28 50 ARG 29 51 VAL 30 52 GLN
31 53 LYS 32 54 SER 33 55 ILE 34 56 SER 35 57 GLN
36 58 LYS 37 59 LYS 38 60 LEU 39 61 LYS 40 62 LEU
41 63 ASP 42 64 ILE 43 65 ASP 44 66 LYS 45 67 SER
46 68 VAL 47 69 ARG 48 70 HIS 49 71 LEU 50 72 TYR
51 73 ILE 52 74 CYS 53 75 ASP 54 76 PHE 55 77 HIS
56 78 LYS 57 79 ASN 58 80 PHE 59 81 ILE 60 82 GLN
61 83 SER 62 84 VAL 63 85 ARG 64 86 ASN 65 87 LYS
66 88 ARG 67 89 LYS 68 90 ARG 69 91 LYS 70 92 THR
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type "non-polymer (NON-POLYMER)"
_Name_common 'ZINC ION'
_BMRB_code ZN
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
ZN ZN ZN . 2 . ?
stop_
_Mol_thiol_state .
_Sequence_homology_query_date .
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$entity_1 Human 9606 Eukaryota Metazoa Homo sapiens
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$entity_1 'recombinant technology' . Escherichia coli . pGEX-4T1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 0.5 mM '[U-13C; U-15N]'
$entity_ZN 0.5 mM 'natural abundance'
BIS-TRIS 20 mM 'natural abundance'
'sodium chloride' 30 mM 'natural abundance'
'sodium azide' 0.04 % 'natural abundance'
H2O 93 % 'natural abundance'
D2O 7 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_VNMRJ
_Saveframe_category software
_Name VNMRJ
_Version .
loop_
_Vendor
_Address
_Electronic_address
Agilent . .
stop_
loop_
_Task
collection
processing
stop_
_Details .
save_
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
save_AMBER
_Saveframe_category software
_Name AMBER
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . .
stop_
loop_
_Task
minimization
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Varian
_Model INOVA
_Field_strength 800
_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_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_3D_HNCACB_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCACB'
_Sample_label $sample_1
save_
save_3D_HN(CO)CACB_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CACB'
_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_HN(CO)CA_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HN(CO)CA'
_Sample_label $sample_1
save_
save_3D_C(CO)NH_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D C(CO)NH'
_Sample_label $sample_1
save_
save_3D_H(CCO)NH_8
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D H(CCO)NH'
_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_3D_1H-15N_NOESY_10
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-15N NOESY'
_Sample_label $sample_1
save_
save_3D_1H-13C_NOESY_11
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 1H-13C NOESY'
_Sample_label $sample_1
save_
save_(HB)CB(CGCD)HD_12
_Saveframe_category NMR_applied_experiment
_Experiment_name (HB)CB(CGCD)HD
_Sample_label $sample_1
save_
save_(HB)CB(CGCDCE)HE_13
_Saveframe_category NMR_applied_experiment
_Experiment_name (HB)CB(CGCDCE)HE
_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 6.0 . pH
pressure 1 . atm
temperature 273 . 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 na indirect . . . 0.25144953
water H 1 protons ppm 4.76 internal direct . . . 1
'liquid anhydrous ammonia' N 15 nitrogen ppm 0 na indirect . . . 0.101329118
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'3D HNCACB'
'3D HN(CO)CACB'
'3D HNCA'
'3D HN(CO)CA'
'3D C(CO)NH'
'3D H(CCO)NH'
'3D HCCH-COSY'
'3D 1H-15N NOESY'
'3D 1H-13C NOESY'
(HB)CB(CGCD)HD
(HB)CB(CGCDCE)HE
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name entity_1
_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 24 2 SER HA H 4.33 0.02 1
2 24 2 SER HB2 H 3.65 0.02 2
3 24 2 SER HB3 H 3.57 0.02 2
4 24 2 SER CA C 58.13 0.20 1
5 24 2 SER CB C 63.87 0.20 1
6 25 3 TYR H H 8.31 0.02 1
7 25 3 TYR HA H 4.53 0.02 1
8 25 3 TYR HB2 H 3.04 0.02 2
9 25 3 TYR HB3 H 2.97 0.02 2
10 25 3 TYR HD1 H 7.11 0.02 1
11 25 3 TYR HD2 H 7.11 0.02 1
12 25 3 TYR HE1 H 6.83 0.02 1
13 25 3 TYR HE2 H 6.83 0.02 1
14 25 3 TYR CA C 58.42 0.20 1
15 25 3 TYR CB C 38.57 0.20 1
16 25 3 TYR CD1 C 133.25 0.20 1
17 25 3 TYR CD2 C 133.25 0.20 1
18 25 3 TYR CE1 C 118.20 0.20 1
19 25 3 TYR CE2 C 118.20 0.20 1
20 25 3 TYR N N 122.16 0.20 1
21 26 4 GLY H H 8.30 0.02 1
22 26 4 GLY HA2 H 3.88 0.02 2
23 26 4 GLY HA3 H 3.75 0.02 2
24 26 4 GLY CA C 45.33 0.20 1
25 26 4 GLY N N 111.37 0.20 1
26 27 5 GLN H H 8.05 0.02 1
27 27 5 GLN HA H 4.51 0.02 1
28 27 5 GLN HB2 H 1.86 0.02 2
29 27 5 GLN HB3 H 1.75 0.02 2
30 27 5 GLN HG2 H 2.09 0.02 2
31 27 5 GLN HG3 H 2.09 0.02 2
32 27 5 GLN CA C 55.24 0.20 1
33 27 5 GLN CB C 29.80 0.20 1
34 27 5 GLN CG C 33.60 0.20 1
35 27 5 GLN N N 118.91 0.20 1
36 28 6 SER H H 8.80 0.02 1
37 28 6 SER HA H 4.81 0.02 1
38 28 6 SER HB2 H 3.84 0.02 2
39 28 6 SER HB3 H 3.84 0.02 2
40 28 6 SER CA C 57.71 0.20 1
41 28 6 SER CB C 65.53 0.20 1
42 28 6 SER N N 119.46 0.20 1
43 29 7 CYS H H 8.39 0.02 1
44 29 7 CYS HA H 4.13 0.02 1
45 29 7 CYS HB2 H 3.18 0.02 2
46 29 7 CYS HB3 H 2.93 0.02 2
47 29 7 CYS CA C 60.62 0.20 1
48 29 7 CYS CB C 32.77 0.20 1
49 29 7 CYS N N 122.16 0.20 1
50 30 8 CYS H H 8.34 0.02 1
51 30 8 CYS HA H 4.53 0.02 1
52 30 8 CYS HB2 H 2.95 0.02 2
53 30 8 CYS HB3 H 2.73 0.02 2
54 30 8 CYS CA C 58.81 0.20 1
55 30 8 CYS CB C 28.91 0.20 1
56 30 8 CYS N N 122.32 0.20 1
57 31 9 LEU H H 8.46 0.02 1
58 31 9 LEU HA H 4.64 0.02 1
59 31 9 LEU HB2 H 1.80 0.02 2
60 31 9 LEU HB3 H 0.71 0.02 2
61 31 9 LEU HG H 1.71 0.02 1
62 31 9 LEU HD1 H 0.33 0.02 2
63 31 9 LEU HD2 H 0.14 0.02 2
64 31 9 LEU CA C 55.44 0.20 1
65 31 9 LEU CB C 43.49 0.20 1
66 31 9 LEU CG C 26.72 0.20 1
67 31 9 LEU CD1 C 26.65 0.20 1
68 31 9 LEU CD2 C 22.58 0.20 1
69 31 9 LEU N N 122.39 0.20 1
70 32 10 ILE H H 8.68 0.02 1
71 32 10 ILE HA H 4.20 0.02 1
72 32 10 ILE HB H 1.36 0.02 1
73 32 10 ILE HG12 H 1.45 0.02 2
74 32 10 ILE HG13 H 0.65 0.02 2
75 32 10 ILE HG2 H 0.57 0.02 1
76 32 10 ILE HD1 H 0.71 0.02 1
77 32 10 ILE CA C 60.44 0.20 1
78 32 10 ILE CB C 39.89 0.20 1
79 32 10 ILE CG1 C 28.04 0.20 1
80 32 10 ILE CG2 C 17.53 0.20 1
81 32 10 ILE CD1 C 13.72 0.20 1
82 32 10 ILE N N 118.89 0.20 1
83 33 11 GLU H H 8.64 0.02 1
84 33 11 GLU HA H 5.08 0.02 1
85 33 11 GLU HB2 H 2.19 0.02 2
86 33 11 GLU HB3 H 1.55 0.02 2
87 33 11 GLU HG2 H 2.15 0.02 2
88 33 11 GLU HG3 H 2.15 0.02 2
89 33 11 GLU CA C 54.12 0.20 1
90 33 11 GLU CB C 32.08 0.20 1
91 33 11 GLU CG C 35.71 0.20 1
92 33 11 GLU N N 128.40 0.20 1
93 34 12 ASP H H 9.54 0.02 1
94 34 12 ASP HA H 4.31 0.02 1
95 34 12 ASP HB2 H 3.17 0.02 2
96 34 12 ASP HB3 H 2.49 0.02 2
97 34 12 ASP CA C 55.15 0.20 1
98 34 12 ASP CB C 40.05 0.20 1
99 34 12 ASP N N 130.39 0.20 1
100 35 13 GLY H H 8.37 0.02 1
101 35 13 GLY HA2 H 4.22 0.02 2
102 35 13 GLY HA3 H 3.46 0.02 2
103 35 13 GLY CA C 45.48 0.20 1
104 35 13 GLY N N 101.94 0.20 1
105 36 14 GLU H H 7.82 0.02 1
106 36 14 GLU HA H 4.67 0.02 1
107 36 14 GLU HB2 H 2.07 0.02 2
108 36 14 GLU HB3 H 1.94 0.02 2
109 36 14 GLU HG2 H 2.27 0.02 2
110 36 14 GLU HG3 H 2.17 0.02 2
111 36 14 GLU CA C 54.35 0.20 1
112 36 14 GLU CB C 31.63 0.20 1
113 36 14 GLU CG C 35.66 0.20 1
114 36 14 GLU N N 120.86 0.20 1
115 37 15 ARG H H 8.93 0.02 1
116 37 15 ARG HA H 4.20 0.02 1
117 37 15 ARG HB2 H 1.84 0.02 2
118 37 15 ARG HB3 H 1.72 0.02 2
119 37 15 ARG HG2 H 1.80 0.02 2
120 37 15 ARG HG3 H 1.59 0.02 2
121 37 15 ARG HD2 H 3.26 0.02 2
122 37 15 ARG HD3 H 3.26 0.02 2
123 37 15 ARG HE H 7.51 0.02 1
124 37 15 ARG CA C 56.44 0.20 1
125 37 15 ARG CB C 29.71 0.20 1
126 37 15 ARG CG C 26.16 0.20 1
127 37 15 ARG CD C 42.50 0.20 1
128 37 15 ARG N N 129.79 0.20 1
129 37 15 ARG NE N 84.87 0.20 1
130 38 16 CYS H H 9.05 0.02 1
131 38 16 CYS HA H 4.45 0.02 1
132 38 16 CYS HB2 H 3.14 0.02 2
133 38 16 CYS HB3 H 2.85 0.02 2
134 38 16 CYS CA C 60.56 0.20 1
135 38 16 CYS CB C 31.25 0.20 1
136 38 16 CYS N N 130.95 0.20 1
137 39 17 VAL H H 8.06 0.02 1
138 39 17 VAL HA H 4.71 0.02 1
139 39 17 VAL HB H 2.52 0.02 1
140 39 17 VAL HG1 H 0.93 0.02 2
141 39 17 VAL HG2 H 0.86 0.02 2
142 39 17 VAL CA C 60.34 0.20 1
143 39 17 VAL CB C 31.29 0.20 1
144 39 17 VAL CG1 C 21.14 0.20 1
145 39 17 VAL CG2 C 17.97 0.20 1
146 39 17 VAL N N 118.27 0.20 1
147 40 18 ARG H H 8.95 0.02 1
148 40 18 ARG HA H 4.43 0.02 1
149 40 18 ARG HB2 H 2.21 0.02 2
150 40 18 ARG HB3 H 1.78 0.02 2
151 40 18 ARG HG2 H 1.84 0.02 2
152 40 18 ARG HG3 H 1.62 0.02 2
153 40 18 ARG HD2 H 3.72 0.02 2
154 40 18 ARG HD3 H 3.19 0.02 2
155 40 18 ARG HE H 6.82 0.02 1
156 40 18 ARG CA C 56.15 0.20 1
157 40 18 ARG CB C 29.21 0.20 1
158 40 18 ARG CG C 29.75 0.20 1
159 40 18 ARG CD C 44.20 0.20 1
160 40 18 ARG N N 127.36 0.20 1
161 40 18 ARG NE N 85.96 0.20 1
162 41 19 PRO HA H 4.43 0.02 1
163 41 19 PRO HB2 H 1.83 0.02 2
164 41 19 PRO HB3 H 2.29 0.02 2
165 41 19 PRO HG2 H 2.11 0.02 2
166 41 19 PRO HG3 H 2.03 0.02 2
167 41 19 PRO HD2 H 3.83 0.02 2
168 41 19 PRO HD3 H 3.68 0.02 2
169 41 19 PRO CA C 62.69 0.20 1
170 41 19 PRO CB C 32.01 0.20 1
171 41 19 PRO CG C 27.78 0.20 1
172 41 19 PRO CD C 50.17 0.20 1
173 42 20 ALA H H 8.41 0.02 1
174 42 20 ALA HA H 3.62 0.02 1
175 42 20 ALA HB H 1.10 0.02 1
176 42 20 ALA CA C 52.93 0.20 1
177 42 20 ALA CB C 19.13 0.20 1
178 42 20 ALA N N 124.26 0.20 1
179 43 21 GLY H H 8.09 0.02 1
180 43 21 GLY HA2 H 4.47 0.02 2
181 43 21 GLY HA3 H 3.87 0.02 2
182 43 21 GLY CA C 44.24 0.20 1
183 43 21 GLY N N 112.69 0.20 1
184 44 22 ASN H H 8.72 0.02 1
185 44 22 ASN HA H 4.69 0.02 1
186 44 22 ASN HB2 H 2.85 0.02 2
187 44 22 ASN HB3 H 2.79 0.02 2
188 44 22 ASN CA C 53.42 0.20 1
189 44 22 ASN CB C 39.37 0.20 1
190 44 22 ASN N N 116.98 0.20 1
191 45 23 ALA H H 8.77 0.02 1
192 45 23 ALA HA H 4.64 0.02 1
193 45 23 ALA HB H 1.55 0.02 1
194 45 23 ALA CA C 52.24 0.20 1
195 45 23 ALA CB C 19.54 0.20 1
196 45 23 ALA N N 124.24 0.20 1
197 46 24 SER H H 8.06 0.02 1
198 46 24 SER HA H 5.30 0.02 1
199 46 24 SER HB2 H 3.55 0.02 2
200 46 24 SER HB3 H 3.50 0.02 2
201 46 24 SER CA C 56.58 0.20 1
202 46 24 SER CB C 66.49 0.20 1
203 46 24 SER N N 111.67 0.20 1
204 47 25 PHE HA H 4.52 0.02 1
205 47 25 PHE HB2 H 3.18 0.02 2
206 47 25 PHE HB3 H 2.65 0.02 2
207 47 25 PHE HD1 H 7.03 0.02 1
208 47 25 PHE HD2 H 7.03 0.02 1
209 47 25 PHE HE1 H 7.08 0.02 1
210 47 25 PHE HE2 H 7.08 0.02 1
211 47 25 PHE HZ H 7.16 0.02 1
212 47 25 PHE CA C 57.00 0.20 1
213 47 25 PHE CB C 38.36 0.20 1
214 47 25 PHE CD1 C 131.90 0.20 1
215 47 25 PHE CD2 C 131.90 0.20 1
216 47 25 PHE CE1 C 130.98 0.20 1
217 47 25 PHE CE2 C 130.98 0.20 1
218 47 25 PHE CZ C 129.27 0.20 1
219 48 26 SER H H 7.10 0.02 1
220 48 26 SER HA H 4.44 0.02 1
221 48 26 SER HB2 H 4.28 0.02 2
222 48 26 SER HB3 H 3.87 0.02 2
223 48 26 SER CA C 56.95 0.20 1
224 48 26 SER CB C 65.81 0.20 1
225 48 26 SER N N 116.97 0.20 1
226 49 27 LYS H H 8.77 0.02 1
227 49 27 LYS HA H 3.90 0.02 1
228 49 27 LYS HB2 H 1.86 0.02 2
229 49 27 LYS HB3 H 1.82 0.02 2
230 49 27 LYS HG2 H 1.56 0.02 2
231 49 27 LYS HG3 H 1.47 0.02 2
232 49 27 LYS HD2 H 1.71 0.02 2
233 49 27 LYS HD3 H 1.71 0.02 2
234 49 27 LYS HE2 H 3.01 0.02 2
235 49 27 LYS HE3 H 3.01 0.02 2
236 49 27 LYS CA C 59.57 0.20 1
237 49 27 LYS CB C 31.79 0.20 1
238 49 27 LYS CG C 25.15 0.20 1
239 49 27 LYS CD C 28.85 0.20 1
240 49 27 LYS CE C 41.97 0.20 1
241 49 27 LYS N N 120.65 0.20 1
242 50 28 ARG H H 8.04 0.02 1
243 50 28 ARG HA H 4.04 0.02 1
244 50 28 ARG HB2 H 1.83 0.02 2
245 50 28 ARG HB3 H 1.76 0.02 2
246 50 28 ARG HG2 H 1.68 0.02 2
247 50 28 ARG HG3 H 1.61 0.02 2
248 50 28 ARG HD2 H 3.21 0.02 2
249 50 28 ARG HD3 H 3.21 0.02 2
250 50 28 ARG CA C 59.07 0.20 1
251 50 28 ARG CB C 30.08 0.20 1
252 50 28 ARG CG C 27.32 0.20 1
253 50 28 ARG CD C 43.35 0.20 1
254 50 28 ARG N N 118.24 0.20 1
255 51 29 VAL H H 7.35 0.02 1
256 51 29 VAL HA H 3.59 0.02 1
257 51 29 VAL HB H 1.98 0.02 1
258 51 29 VAL HG1 H 1.10 0.02 2
259 51 29 VAL HG2 H 0.89 0.02 2
260 51 29 VAL CA C 65.94 0.20 1
261 51 29 VAL CB C 31.62 0.20 1
262 51 29 VAL CG1 C 22.74 0.20 1
263 51 29 VAL CG2 C 22.10 0.20 1
264 51 29 VAL N N 121.68 0.20 1
265 52 30 GLN H H 8.21 0.02 1
266 52 30 GLN HA H 3.57 0.02 1
267 52 30 GLN HB2 H 2.04 0.02 2
268 52 30 GLN HB3 H 1.77 0.02 2
269 52 30 GLN HG2 H 1.92 0.02 2
270 52 30 GLN HG3 H 1.92 0.02 2
271 52 30 GLN CA C 59.21 0.20 1
272 52 30 GLN CB C 28.62 0.20 1
273 52 30 GLN CG C 33.82 0.20 1
274 52 30 GLN N N 119.68 0.20 1
275 53 31 LYS H H 7.96 0.02 1
276 53 31 LYS HA H 4.16 0.02 1
277 53 31 LYS HB2 H 1.93 0.02 2
278 53 31 LYS HB3 H 1.90 0.02 2
279 53 31 LYS HG2 H 1.55 0.02 2
280 53 31 LYS HG3 H 1.47 0.02 2
281 53 31 LYS HD2 H 1.69 0.02 2
282 53 31 LYS HD3 H 1.69 0.02 2
283 53 31 LYS HE2 H 2.97 0.02 2
284 53 31 LYS HE3 H 2.97 0.02 2
285 53 31 LYS CA C 58.67 0.20 1
286 53 31 LYS CB C 32.12 0.20 1
287 53 31 LYS CG C 24.91 0.20 1
288 53 31 LYS CD C 29.01 0.20 1
289 53 31 LYS CE C 42.08 0.20 1
290 53 31 LYS N N 118.08 0.20 1
291 54 32 SER H H 7.80 0.02 1
292 54 32 SER HA H 4.37 0.02 1
293 54 32 SER HB2 H 4.02 0.02 2
294 54 32 SER HB3 H 3.90 0.02 2
295 54 32 SER CA C 61.33 0.20 1
296 54 32 SER CB C 63.69 0.20 1
297 54 32 SER N N 115.45 0.20 1
298 55 33 ILE H H 7.84 0.02 1
299 55 33 ILE HA H 4.06 0.02 1
300 55 33 ILE HB H 2.10 0.02 1
301 55 33 ILE HG12 H 1.70 0.02 2
302 55 33 ILE HG13 H 1.22 0.02 2
303 55 33 ILE HG2 H 1.06 0.02 1
304 55 33 ILE HD1 H 0.94 0.02 1
305 55 33 ILE CA C 63.33 0.20 1
306 55 33 ILE CB C 38.98 0.20 1
307 55 33 ILE CG1 C 28.34 0.20 1
308 55 33 ILE CG2 C 18.45 0.20 1
309 55 33 ILE CD1 C 14.65 0.20 1
310 55 33 ILE N N 117.67 0.20 1
311 56 34 SER H H 8.06 0.02 1
312 56 34 SER HA H 4.49 0.02 1
313 56 34 SER HB2 H 4.06 0.02 2
314 56 34 SER HB3 H 4.06 0.02 2
315 56 34 SER CA C 60.22 0.20 1
316 56 34 SER CB C 63.00 0.20 1
317 56 34 SER N N 115.65 0.20 1
318 57 35 GLN H H 8.62 0.02 1
319 57 35 GLN HA H 4.20 0.02 1
320 57 35 GLN HB2 H 2.26 0.02 2
321 57 35 GLN HB3 H 2.23 0.02 2
322 57 35 GLN HG2 H 2.56 0.02 2
323 57 35 GLN HG3 H 2.45 0.02 2
324 57 35 GLN CA C 58.31 0.20 1
325 57 35 GLN CB C 28.85 0.20 1
326 57 35 GLN CG C 34.43 0.20 1
327 57 35 GLN N N 121.83 0.20 1
328 58 36 LYS H H 7.95 0.02 1
329 58 36 LYS HA H 4.29 0.02 1
330 58 36 LYS HB2 H 1.93 0.02 2
331 58 36 LYS HB3 H 1.82 0.02 2
332 58 36 LYS HG2 H 1.60 0.02 2
333 58 36 LYS HG3 H 1.45 0.02 2
334 58 36 LYS HD2 H 1.71 0.02 2
335 58 36 LYS HD3 H 1.71 0.02 2
336 58 36 LYS HE2 H 3.02 0.02 2
337 58 36 LYS HE3 H 3.02 0.02 2
338 58 36 LYS CA C 56.92 0.20 1
339 58 36 LYS CB C 32.90 0.20 1
340 58 36 LYS CG C 25.85 0.20 1
341 58 36 LYS CD C 29.23 0.20 1
342 58 36 LYS N N 116.96 0.20 1
343 59 37 LYS H H 7.95 0.02 1
344 59 37 LYS HA H 4.12 0.02 1
345 59 37 LYS HB2 H 2.02 0.02 2
346 59 37 LYS HB3 H 1.94 0.02 2
347 59 37 LYS HG2 H 1.48 0.02 2
348 59 37 LYS HG3 H 1.42 0.02 2
349 59 37 LYS HD2 H 1.74 0.02 2
350 59 37 LYS HD3 H 1.74 0.02 2
351 59 37 LYS HE2 H 3.05 0.02 2
352 59 37 LYS HE3 H 3.05 0.02 2
353 59 37 LYS CA C 57.09 0.20 1
354 59 37 LYS CB C 30.08 0.20 1
355 59 37 LYS CG C 24.93 0.20 1
356 59 37 LYS CD C 29.05 0.20 1
357 59 37 LYS CE C 42.32 0.20 1
358 59 37 LYS N N 116.96 0.20 1
359 60 38 LEU H H 7.93 0.02 1
360 60 38 LEU HA H 4.48 0.02 1
361 60 38 LEU HB2 H 1.80 0.02 2
362 60 38 LEU HB3 H 1.61 0.02 2
363 60 38 LEU HG H 1.74 0.02 1
364 60 38 LEU HD1 H 0.90 0.02 2
365 60 38 LEU HD2 H 0.90 0.02 2
366 60 38 LEU CA C 54.50 0.20 1
367 60 38 LEU CB C 42.84 0.20 1
368 60 38 LEU CG C 27.05 0.20 1
369 60 38 LEU CD1 C 26.07 0.20 1
370 60 38 LEU CD2 C 22.68 0.20 1
371 60 38 LEU N N 117.54 0.20 1
372 61 39 LYS HA H 4.39 0.02 1
373 61 39 LYS HB2 H 2.00 0.02 2
374 61 39 LYS HB3 H 1.91 0.02 2
375 61 39 LYS HG2 H 1.48 0.02 2
376 61 39 LYS HG3 H 1.42 0.02 2
377 61 39 LYS HD2 H 1.71 0.02 2
378 61 39 LYS HD3 H 1.71 0.02 2
379 61 39 LYS HE2 H 3.03 0.02 2
380 61 39 LYS HE3 H 3.03 0.02 2
381 61 39 LYS CA C 55.54 0.20 1
382 61 39 LYS CB C 30.05 0.20 1
383 61 39 LYS CG C 24.52 0.20 1
384 61 39 LYS CD C 29.10 0.20 1
385 61 39 LYS CE C 42.29 0.20 1
386 62 40 LEU H H 7.47 0.02 1
387 62 40 LEU HA H 5.25 0.02 1
388 62 40 LEU HB2 H 1.58 0.02 2
389 62 40 LEU HB3 H 1.21 0.02 2
390 62 40 LEU HG H 1.59 0.02 1
391 62 40 LEU HD1 H 0.84 0.02 2
392 62 40 LEU HD2 H 0.70 0.02 2
393 62 40 LEU CA C 53.08 0.20 1
394 62 40 LEU CB C 45.76 0.20 1
395 62 40 LEU CG C 26.68 0.20 1
396 62 40 LEU CD1 C 25.94 0.20 1
397 62 40 LEU CD2 C 23.85 0.20 1
398 62 40 LEU N N 120.00 0.20 1
399 63 41 ASP H H 8.62 0.02 1
400 63 41 ASP HA H 4.86 0.02 1
401 63 41 ASP HB2 H 2.53 0.02 2
402 63 41 ASP HB3 H 2.47 0.02 2
403 63 41 ASP CA C 51.89 0.20 1
404 63 41 ASP CB C 44.91 0.20 1
405 63 41 ASP N N 121.73 0.20 1
406 64 42 ILE H H 8.65 0.02 1
407 64 42 ILE HA H 4.21 0.02 1
408 64 42 ILE HB H 1.32 0.02 1
409 64 42 ILE HG12 H 1.29 0.02 2
410 64 42 ILE HG13 H 0.79 0.02 2
411 64 42 ILE HG2 H 0.57 0.02 1
412 64 42 ILE HD1 H 0.72 0.02 1
413 64 42 ILE CA C 60.43 0.20 1
414 64 42 ILE CB C 40.42 0.20 1
415 64 42 ILE CG1 C 27.86 0.20 1
416 64 42 ILE CG2 C 17.71 0.20 1
417 64 42 ILE CD1 C 14.55 0.20 1
418 64 42 ILE N N 118.12 0.20 1
419 65 43 ASP H H 8.63 0.02 1
420 65 43 ASP HA H 4.57 0.02 1
421 65 43 ASP HB2 H 2.91 0.02 2
422 65 43 ASP HB3 H 2.26 0.02 2
423 65 43 ASP CA C 53.31 0.20 1
424 65 43 ASP CB C 40.44 0.20 1
425 65 43 ASP N N 124.55 0.20 1
426 66 44 LYS H H 8.59 0.02 1
427 66 44 LYS HA H 4.04 0.02 1
428 66 44 LYS HB2 H 1.94 0.02 2
429 66 44 LYS HB3 H 1.80 0.02 2
430 66 44 LYS HG2 H 1.57 0.02 2
431 66 44 LYS HG3 H 1.46 0.02 2
432 66 44 LYS HD2 H 1.74 0.02 2
433 66 44 LYS HD3 H 1.74 0.02 2
434 66 44 LYS HE2 H 3.04 0.02 2
435 66 44 LYS HE3 H 3.04 0.02 2
436 66 44 LYS CA C 58.14 0.20 1
437 66 44 LYS CB C 31.99 0.20 1
438 66 44 LYS CG C 25.33 0.20 1
439 66 44 LYS CD C 28.90 0.20 1
440 66 44 LYS CE C 42.00 0.20 1
441 66 44 LYS N N 125.97 0.20 1
442 67 45 SER H H 8.76 0.02 1
443 67 45 SER HA H 4.32 0.02 1
444 67 45 SER HB2 H 3.98 0.02 2
445 67 45 SER HB3 H 3.93 0.02 2
446 67 45 SER CA C 60.33 0.20 1
447 67 45 SER CB C 63.71 0.20 1
448 67 45 SER N N 114.98 0.20 1
449 68 46 VAL HA H 4.25 0.02 1
450 68 46 VAL HB H 2.29 0.02 1
451 68 46 VAL HG1 H 0.88 0.02 2
452 68 46 VAL HG2 H 0.88 0.02 2
453 68 46 VAL CA C 62.15 0.20 1
454 68 46 VAL CB C 31.90 0.20 1
455 68 46 VAL CG1 C 21.70 0.20 1
456 68 46 VAL CG2 C 21.88 0.20 1
457 69 47 ARG HG2 H 1.61 0.02 2
458 69 47 ARG HG3 H 1.61 0.02 2
459 69 47 ARG HD2 H 3.24 0.02 2
460 69 47 ARG HD3 H 3.24 0.02 2
461 69 47 ARG CA C 56.96 0.20 1
462 69 47 ARG CD C 43.35 0.20 1
463 70 48 HIS H H 7.39 0.02 1
464 70 48 HIS HA H 4.76 0.02 1
465 70 48 HIS HB2 H 3.20 0.02 2
466 70 48 HIS HB3 H 3.13 0.02 2
467 70 48 HIS HD2 H 7.01 0.02 1
468 70 48 HIS HE1 H 8.15 0.02 1
469 70 48 HIS HE2 H 13.33 0.02 1
470 70 48 HIS CA C 55.36 0.20 1
471 70 48 HIS CB C 33.10 0.20 1
472 70 48 HIS CD2 C 118.00 0.20 1
473 70 48 HIS CE1 C 140.14 0.20 1
474 70 48 HIS N N 116.27 0.20 1
475 71 49 LEU H H 7.97 0.02 1
476 71 49 LEU HA H 5.06 0.02 1
477 71 49 LEU HB2 H 1.78 0.02 2
478 71 49 LEU HB3 H 1.34 0.02 2
479 71 49 LEU HG H 1.44 0.02 1
480 71 49 LEU HD1 H 0.88 0.02 2
481 71 49 LEU HD2 H 0.88 0.02 2
482 71 49 LEU CA C 54.07 0.20 1
483 71 49 LEU CB C 42.71 0.20 1
484 71 49 LEU CG C 26.81 0.20 1
485 71 49 LEU CD1 C 25.63 0.20 1
486 71 49 LEU CD2 C 23.75 0.20 1
487 71 49 LEU N N 120.20 0.20 1
488 72 50 TYR HA H 5.03 0.02 1
489 72 50 TYR HB2 H 3.23 0.02 2
490 72 50 TYR HB3 H 2.82 0.02 2
491 72 50 TYR HD1 H 7.01 0.02 1
492 72 50 TYR HD2 H 7.01 0.02 1
493 72 50 TYR HE1 H 6.82 0.02 1
494 72 50 TYR HE2 H 6.82 0.02 1
495 72 50 TYR CA C 59.99 0.20 1
496 72 50 TYR CB C 39.44 0.20 1
497 72 50 TYR CD1 C 133.34 0.20 1
498 72 50 TYR CD2 C 133.34 0.20 1
499 72 50 TYR CE1 C 117.80 0.20 1
500 72 50 TYR CE2 C 117.80 0.20 1
501 73 51 ILE H H 8.45 0.02 1
502 73 51 ILE HA H 6.08 0.02 1
503 73 51 ILE HB H 2.13 0.02 1
504 73 51 ILE HG12 H 1.58 0.02 2
505 73 51 ILE HG13 H 0.96 0.02 2
506 73 51 ILE HG2 H 1.01 0.02 1
507 73 51 ILE HD1 H 0.72 0.02 1
508 73 51 ILE CA C 58.09 0.20 1
509 73 51 ILE CB C 41.82 0.20 1
510 73 51 ILE CG1 C 25.19 0.20 1
511 73 51 ILE CG2 C 18.61 0.20 1
512 73 51 ILE CD1 C 13.54 0.20 1
513 73 51 ILE N N 112.94 0.20 1
514 74 52 CYS H H 9.83 0.02 1
515 74 52 CYS HA H 5.08 0.02 1
516 74 52 CYS HB2 H 3.43 0.02 2
517 74 52 CYS HB3 H 2.84 0.02 2
518 74 52 CYS CA C 57.67 0.20 1
519 74 52 CYS CB C 33.33 0.20 1
520 74 52 CYS N N 124.73 0.20 1
521 75 53 ASP H H 9.09 0.02 1
522 75 53 ASP HA H 4.59 0.02 1
523 75 53 ASP HB2 H 2.73 0.02 2
524 75 53 ASP HB3 H 2.68 0.02 2
525 75 53 ASP CA C 57.32 0.20 1
526 75 53 ASP CB C 39.67 0.20 1
527 75 53 ASP N N 120.99 0.20 1
528 76 54 PHE H H 8.33 0.02 1
529 76 54 PHE HA H 4.23 0.02 1
530 76 54 PHE HB2 H 3.65 0.02 2
531 76 54 PHE HB3 H 3.10 0.02 2
532 76 54 PHE HD1 H 6.51 0.02 1
533 76 54 PHE HD2 H 6.51 0.02 1
534 76 54 PHE HE1 H 7.02 0.02 1
535 76 54 PHE HE2 H 7.02 0.02 1
536 76 54 PHE HZ H 7.13 0.02 1
537 76 54 PHE CA C 62.03 0.20 1
538 76 54 PHE CB C 38.19 0.20 1
539 76 54 PHE CD1 C 131.22 0.20 1
540 76 54 PHE CD2 C 131.22 0.20 1
541 76 54 PHE CE1 C 131.12 0.20 1
542 76 54 PHE CE2 C 131.12 0.20 1
543 76 54 PHE CZ C 129.99 0.20 1
544 76 54 PHE N N 122.47 0.20 1
545 77 55 HIS H H 10.30 0.02 1
546 77 55 HIS HA H 4.28 0.02 1
547 77 55 HIS HB2 H 3.87 0.02 2
548 77 55 HIS HB3 H 2.81 0.02 2
549 77 55 HIS HD2 H 6.78 0.02 1
550 77 55 HIS HE1 H 8.29 0.02 1
551 77 55 HIS CA C 63.88 0.20 1
552 77 55 HIS CB C 29.60 0.20 1
553 77 55 HIS CD2 C 117.69 0.20 1
554 77 55 HIS CE1 C 139.76 0.20 1
555 77 55 HIS N N 124.58 0.20 1
556 78 56 LYS H H 8.96 0.02 1
557 78 56 LYS HA H 3.86 0.02 1
558 78 56 LYS HB2 H 2.16 0.02 2
559 78 56 LYS HB3 H 1.98 0.02 2
560 78 56 LYS HG2 H 1.50 0.02 2
561 78 56 LYS HG3 H 1.23 0.02 2
562 78 56 LYS HD2 H 1.84 0.02 2
563 78 56 LYS HD3 H 1.70 0.02 2
564 78 56 LYS HE2 H 2.97 0.02 2
565 78 56 LYS HE3 H 2.97 0.02 2
566 78 56 LYS CA C 60.55 0.20 1
567 78 56 LYS CB C 32.04 0.20 1
568 78 56 LYS CG C 23.96 0.20 1
569 78 56 LYS CD C 29.34 0.20 1
570 78 56 LYS CE C 41.93 0.20 1
571 78 56 LYS N N 122.93 0.20 1
572 79 57 ASN H H 8.23 0.02 1
573 79 57 ASN HA H 4.42 0.02 1
574 79 57 ASN HB2 H 2.81 0.02 2
575 79 57 ASN HB3 H 2.74 0.02 2
576 79 57 ASN CA C 56.03 0.20 1
577 79 57 ASN CB C 38.10 0.20 1
578 79 57 ASN N N 116.67 0.20 1
579 80 58 PHE H H 8.20 0.02 1
580 80 58 PHE HA H 4.18 0.02 1
581 80 58 PHE HB2 H 3.02 0.02 2
582 80 58 PHE HB3 H 2.85 0.02 2
583 80 58 PHE HD1 H 7.12 0.02 1
584 80 58 PHE HD2 H 7.12 0.02 1
585 80 58 PHE HE1 H 7.36 0.02 1
586 80 58 PHE HE2 H 7.36 0.02 1
587 80 58 PHE HZ H 7.44 0.02 1
588 80 58 PHE CA C 60.70 0.20 1
589 80 58 PHE CB C 39.84 0.20 1
590 80 58 PHE CD1 C 131.27 0.20 1
591 80 58 PHE CD2 C 131.27 0.20 1
592 80 58 PHE CE1 C 131.64 0.20 1
593 80 58 PHE CE2 C 131.64 0.20 1
594 80 58 PHE CZ C 130.74 0.20 1
595 80 58 PHE N N 122.60 0.20 1
596 81 59 ILE H H 8.52 0.02 1
597 81 59 ILE HA H 3.32 0.02 1
598 81 59 ILE HB H 1.90 0.02 1
599 81 59 ILE HG12 H 1.93 0.02 2
600 81 59 ILE HG13 H 0.93 0.02 2
601 81 59 ILE HG2 H 0.88 0.02 1
602 81 59 ILE HD1 H 0.82 0.02 1
603 81 59 ILE CA C 65.16 0.20 1
604 81 59 ILE CB C 38.44 0.20 1
605 81 59 ILE CG1 C 30.07 0.20 1
606 81 59 ILE CG2 C 17.71 0.20 1
607 81 59 ILE CD1 C 14.20 0.20 1
608 81 59 ILE N N 118.24 0.20 1
609 82 60 GLN H H 7.67 0.02 1
610 82 60 GLN HA H 4.10 0.02 1
611 82 60 GLN HB2 H 2.15 0.02 2
612 82 60 GLN HB3 H 2.15 0.02 2
613 82 60 GLN HG2 H 2.53 0.02 2
614 82 60 GLN HG3 H 2.45 0.02 2
615 82 60 GLN CA C 57.71 0.20 1
616 82 60 GLN CB C 28.71 0.20 1
617 82 60 GLN CG C 34.07 0.20 1
618 82 60 GLN N N 116.37 0.20 1
619 83 61 SER H H 7.81 0.02 1
620 83 61 SER HA H 4.30 0.02 1
621 83 61 SER HB2 H 3.92 0.02 2
622 83 61 SER HB3 H 3.92 0.02 2
623 83 61 SER CA C 60.13 0.20 1
624 83 61 SER CB C 63.57 0.20 1
625 83 61 SER N N 114.44 0.20 1
626 84 62 VAL H H 7.79 0.02 1
627 84 62 VAL HA H 3.97 0.02 1
628 84 62 VAL HB H 2.00 0.02 1
629 84 62 VAL HG1 H 0.83 0.02 2
630 84 62 VAL HG2 H 0.79 0.02 2
631 84 62 VAL CA C 63.43 0.20 1
632 84 62 VAL CB C 31.96 0.20 1
633 84 62 VAL CG1 C 21.37 0.20 1
634 84 62 VAL CG2 C 21.08 0.20 1
635 84 62 VAL N N 120.75 0.20 1
636 85 63 ARG H H 8.09 0.02 1
637 85 63 ARG HA H 4.24 0.02 1
638 85 63 ARG HB2 H 1.88 0.02 2
639 85 63 ARG HB3 H 1.78 0.02 2
640 85 63 ARG HG2 H 1.74 0.02 2
641 85 63 ARG HG3 H 1.64 0.02 2
642 85 63 ARG HD2 H 3.18 0.02 2
643 85 63 ARG HD3 H 3.18 0.02 2
644 85 63 ARG CA C 56.85 0.20 1
645 85 63 ARG CB C 30.72 0.20 1
646 85 63 ARG CG C 27.09 0.20 1
647 85 63 ARG CD C 43.50 0.20 1
648 85 63 ARG N N 122.09 0.20 1
649 86 64 ASN H H 8.22 0.02 1
650 86 64 ASN HA H 4.69 0.02 1
651 86 64 ASN HB2 H 2.85 0.02 2
652 86 64 ASN HB3 H 2.78 0.02 2
653 86 64 ASN CA C 53.38 0.20 1
654 86 64 ASN CB C 38.95 0.20 1
655 86 64 ASN N N 118.51 0.20 1
656 87 65 LYS H H 8.15 0.02 1
657 87 65 LYS HA H 4.31 0.02 1
658 87 65 LYS HB2 H 1.85 0.02 2
659 87 65 LYS HB3 H 1.85 0.02 2
660 87 65 LYS HG2 H 1.47 0.02 2
661 87 65 LYS HG3 H 1.47 0.02 2
662 87 65 LYS HD2 H 1.72 0.02 2
663 87 65 LYS HD3 H 1.72 0.02 2
664 87 65 LYS HE2 H 3.02 0.02 2
665 87 65 LYS HE3 H 3.02 0.02 2
666 87 65 LYS CA C 56.59 0.20 1
667 87 65 LYS CB C 32.87 0.20 1
668 87 65 LYS CG C 24.75 0.20 1
669 87 65 LYS CD C 29.08 0.20 1
670 87 65 LYS CE C 42.19 0.20 1
671 87 65 LYS N N 121.60 0.20 1
672 88 66 ARG H H 8.25 0.02 1
673 88 66 ARG HA H 4.33 0.02 1
674 88 66 ARG HB2 H 1.84 0.02 2
675 88 66 ARG HB3 H 1.84 0.02 2
676 88 66 ARG HG2 H 1.67 0.02 2
677 88 66 ARG HG3 H 1.67 0.02 2
678 88 66 ARG HD2 H 3.23 0.02 2
679 88 66 ARG HD3 H 3.23 0.02 2
680 88 66 ARG CA C 56.11 0.20 1
681 88 66 ARG CB C 30.87 0.20 1
682 88 66 ARG CG C 27.07 0.20 1
683 88 66 ARG CD C 43.41 0.20 1
684 88 66 ARG N N 121.92 0.20 1
685 89 67 LYS H H 8.32 0.02 1
686 89 67 LYS HA H 4.32 0.02 1
687 89 67 LYS HB2 H 1.85 0.02 2
688 89 67 LYS HB3 H 1.85 0.02 2
689 89 67 LYS HG2 H 1.47 0.02 2
690 89 67 LYS HG3 H 1.47 0.02 2
691 89 67 LYS HD2 H 1.73 0.02 2
692 89 67 LYS HD3 H 1.73 0.02 2
693 89 67 LYS HE2 H 3.04 0.02 2
694 89 67 LYS HE3 H 3.04 0.02 2
695 89 67 LYS CA C 56.33 0.20 1
696 89 67 LYS CB C 33.14 0.20 1
697 89 67 LYS CG C 24.73 0.20 1
698 89 67 LYS CD C 29.11 0.20 1
699 89 67 LYS CE C 42.17 0.20 1
700 89 67 LYS N N 123.02 0.20 1
701 90 68 ARG H H 8.36 0.02 1
702 90 68 ARG HA H 4.36 0.02 1
703 90 68 ARG HB2 H 1.84 0.02 2
704 90 68 ARG HB3 H 1.84 0.02 2
705 90 68 ARG HG2 H 1.65 0.02 2
706 90 68 ARG HG3 H 1.65 0.02 2
707 90 68 ARG HD2 H 3.22 0.02 2
708 90 68 ARG HD3 H 3.22 0.02 2
709 90 68 ARG CA C 56.10 0.20 1
710 90 68 ARG CB C 31.21 0.20 1
711 90 68 ARG CG C 27.06 0.20 1
712 90 68 ARG CD C 43.41 0.20 1
713 90 68 ARG N N 122.97 0.20 1
714 91 69 LYS H H 8.45 0.02 1
715 91 69 LYS HA H 4.38 0.02 1
716 91 69 LYS HB2 H 1.73 0.02 2
717 91 69 LYS HB3 H 1.73 0.02 2
718 91 69 LYS HG2 H 1.48 0.02 2
719 91 69 LYS HG3 H 1.48 0.02 2
720 91 69 LYS HD2 H 1.87 0.02 2
721 91 69 LYS HD3 H 1.87 0.02 2
722 91 69 LYS HE2 H 3.04 0.02 2
723 91 69 LYS HE3 H 3.04 0.02 2
724 91 69 LYS CA C 56.62 0.20 1
725 91 69 LYS CB C 33.07 0.20 1
726 91 69 LYS CG C 24.64 0.20 1
727 91 69 LYS CD C 29.08 0.20 1
728 91 69 LYS CE C 42.17 0.20 1
729 91 69 LYS N N 123.68 0.20 1
730 92 70 THR H H 7.80 0.02 1
731 92 70 THR HA H 4.16 0.02 1
732 92 70 THR HB H 4.25 0.02 1
733 92 70 THR HG2 H 1.18 0.02 1
734 92 70 THR CA C 63.19 0.20 1
735 92 70 THR CB C 70.61 0.20 1
736 92 70 THR CG2 C 22.07 0.20 1
737 92 70 THR N N 120.87 0.20 1
stop_
save_