data_11205
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of the first and second zf-C2H2 domain of Zinc finger
protein 435
;
_BMRB_accession_number 11205
_BMRB_flat_file_name bmr11205.str
_Entry_type original
_Submission_date 2010-07-22
_Accession_date 2010-07-23
_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 Qin X. . .
2 Nagashima T. . .
3 Hayashi F. . .
4 Yokoyama S. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 416
"13C chemical shifts" 309
"15N chemical shifts" 66
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2011-07-21 original author .
stop_
_Original_release_date 2011-07-21
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
Solution structure of the first and second zf-C2H2 domain of Zinc finger
protein 435
;
_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 Qin X. . .
2 Nagashima T. . .
3 Hayashi F. . .
4 Yokoyama S. . .
stop_
_Journal_abbreviation .
_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_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'Zinc finger protein 435'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'ADK_lid domain' $entity_1
'ZINC ION no.1' $ZN
'ZINC ION no.2' $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 'ADK_lid domain'
_Molecular_mass .
_Mol_thiol_state 'all other bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 77
_Mol_residue_sequence
;
GSSGSSGRSEWQQRERRRYK
CDECGKSFSHSSDLSKHRRT
HTGEKPYKCDECGKAFIQRS
HLIGHHRVHTGSGPSSG
;
loop_
_Residue_seq_code
_Residue_label
1 GLY 2 SER 3 SER 4 GLY 5 SER
6 SER 7 GLY 8 ARG 9 SER 10 GLU
11 TRP 12 GLN 13 GLN 14 ARG 15 GLU
16 ARG 17 ARG 18 ARG 19 TYR 20 LYS
21 CYS 22 ASP 23 GLU 24 CYS 25 GLY
26 LYS 27 SER 28 PHE 29 SER 30 HIS
31 SER 32 SER 33 ASP 34 LEU 35 SER
36 LYS 37 HIS 38 ARG 39 ARG 40 THR
41 HIS 42 THR 43 GLY 44 GLU 45 LYS
46 PRO 47 TYR 48 LYS 49 CYS 50 ASP
51 GLU 52 CYS 53 GLY 54 LYS 55 ALA
56 PHE 57 ILE 58 GLN 59 ARG 60 SER
61 HIS 62 LEU 63 ILE 64 GLY 65 HIS
66 HIS 67 ARG 68 VAL 69 HIS 70 THR
71 GLY 72 SER 73 GLY 74 PRO 75 SER
76 SER 77 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-05-12
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
PDB 2COT "Solution Structure Of The First And Second Zf-C2h2 Domain Of Zinc Finger Protein 435" 100.00 77 100.00 100.00 2.14e-46
stop_
save_
#############
# Ligands #
#############
save_ZN
_Saveframe_category ligand
_Mol_type non-polymer
_Name_common "ZN (ZINC ION)"
_BMRB_code .
_PDB_code ZN
_Molecular_mass 65.409
_Mol_charge 2
_Mol_paramagnetic .
_Mol_aromatic no
_Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 16:52:42 2009
;
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_type
_Vector_name
$entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P040628-11
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details
;
1.27mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 0.01mM ZnCl2
;
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$entity_1 1.27 mM '[U-13C; U-15N]'
d-Tris-HCl 20 mM 'natural abundance'
NaCl 100 mM 'natural abundance'
d-DTT 1 mM 'natural abundance'
NaN3 0.02 % 'natural abundance'
ZnCl2 0.01 mM 'natural abundance'
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Saveframe_category software
_Name VNMR
_Version 6.1C
loop_
_Vendor
_Address
_Electronic_address
Varian . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 20020425
loop_
_Vendor
_Address
_Electronic_address
DelaglioF. . .
stop_
loop_
_Task
processing
stop_
_Details .
save_
save_NMRView
_Saveframe_category software
_Name NMRView
_Version 5.0.4
loop_
_Vendor
_Address
_Electronic_address
JohnsonB.A. . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_Kujira
_Saveframe_category software
_Name Kujira
_Version 0.9296
loop_
_Vendor
_Address
_Electronic_address
KobayashiN. . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 2.0.17
loop_
_Vendor
_Address
_Electronic_address
GuntertP. . .
stop_
loop_
_Task
refinement
'structure solution'
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_3D_15N-separated_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label $sample_1
save_
save_3D_13C-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 120 0.1 mM
pH 7.0 0.05 pH
pressure 1 0.001 atm
temperature 298 0.1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Saveframe_category chemical_shift_reference
_Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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 0.0 . indirect . . . 0.251449530
DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0
DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$VNMR
$NMRPipe
$NMRView
$Kujira
$CYANA
stop_
loop_
_Experiment_label
'3D 15N-separated NOESY'
'3D 13C-separated NOESY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $condition_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name 'ADK_lid domain'
_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 5 5 SER C C 174.665 0.300 1
2 5 5 SER CA C 58.370 0.300 1
3 5 5 SER CB C 63.825 0.300 1
4 6 6 SER H H 8.306 0.030 1
5 6 6 SER C C 173.944 0.300 1
6 6 6 SER CA C 58.263 0.300 1
7 6 6 SER CB C 64.106 0.300 1
8 6 6 SER N N 117.778 0.300 1
9 8 8 ARG HA H 4.336 0.030 1
10 8 8 ARG HB2 H 1.833 0.030 2
11 8 8 ARG HB3 H 1.700 0.030 2
12 8 8 ARG HD2 H 3.121 0.030 2
13 8 8 ARG HG2 H 1.577 0.030 2
14 8 8 ARG HG3 H 1.539 0.030 2
15 8 8 ARG CA C 56.165 0.300 1
16 8 8 ARG CB C 30.923 0.300 1
17 8 8 ARG CD C 43.269 0.300 1
18 8 8 ARG CG C 27.107 0.300 1
19 9 9 SER HA H 4.383 0.030 1
20 9 9 SER HB2 H 3.837 0.030 2
21 9 9 SER HB3 H 3.800 0.030 2
22 9 9 SER C C 175.080 0.300 1
23 9 9 SER CA C 58.819 0.300 1
24 9 9 SER CB C 63.658 0.300 1
25 10 10 GLU H H 8.591 0.030 1
26 10 10 GLU HA H 4.206 0.030 1
27 10 10 GLU HB2 H 1.971 0.030 2
28 10 10 GLU HB3 H 1.899 0.030 2
29 10 10 GLU HG2 H 2.204 0.030 2
30 10 10 GLU HG3 H 2.145 0.030 2
31 10 10 GLU C C 176.889 0.300 1
32 10 10 GLU CA C 57.480 0.300 1
33 10 10 GLU CB C 29.793 0.300 1
34 10 10 GLU CG C 36.166 0.300 1
35 10 10 GLU N N 122.772 0.300 1
36 11 11 TRP H H 8.040 0.030 1
37 11 11 TRP HA H 4.559 0.030 1
38 11 11 TRP HB2 H 3.290 0.030 1
39 11 11 TRP HB3 H 3.290 0.030 1
40 11 11 TRP HD1 H 7.255 0.030 1
41 11 11 TRP HE1 H 10.124 0.030 1
42 11 11 TRP HE3 H 7.567 0.030 1
43 11 11 TRP HH2 H 7.222 0.030 1
44 11 11 TRP HZ2 H 7.473 0.030 1
45 11 11 TRP HZ3 H 7.134 0.030 1
46 11 11 TRP C C 176.794 0.300 1
47 11 11 TRP CA C 58.001 0.300 1
48 11 11 TRP CB C 29.250 0.300 1
49 11 11 TRP CD1 C 127.149 0.300 1
50 11 11 TRP CE3 C 120.799 0.300 1
51 11 11 TRP CH2 C 124.774 0.300 1
52 11 11 TRP CZ2 C 114.708 0.300 1
53 11 11 TRP CZ3 C 121.935 0.300 1
54 11 11 TRP N N 120.864 0.300 1
55 11 11 TRP NE1 N 129.515 0.300 1
56 12 12 GLN H H 7.985 0.030 1
57 12 12 GLN HA H 4.071 0.030 1
58 12 12 GLN HB2 H 1.954 0.030 2
59 12 12 GLN HB3 H 1.847 0.030 2
60 12 12 GLN HE21 H 7.389 0.030 2
61 12 12 GLN HE22 H 6.832 0.030 2
62 12 12 GLN HG2 H 2.139 0.030 2
63 12 12 GLN HG3 H 2.052 0.030 2
64 12 12 GLN C C 176.257 0.300 1
65 12 12 GLN CA C 56.605 0.300 1
66 12 12 GLN CB C 29.162 0.300 1
67 12 12 GLN CG C 33.765 0.300 1
68 12 12 GLN N N 120.881 0.300 1
69 12 12 GLN NE2 N 112.090 0.300 1
70 13 13 GLN H H 8.099 0.030 1
71 13 13 GLN HA H 4.166 0.030 1
72 13 13 GLN HB2 H 2.089 0.030 2
73 13 13 GLN HB3 H 1.972 0.030 2
74 13 13 GLN HE21 H 7.495 0.030 2
75 13 13 GLN HE22 H 6.858 0.030 2
76 13 13 GLN HG2 H 2.340 0.030 1
77 13 13 GLN HG3 H 2.340 0.030 1
78 13 13 GLN C C 176.341 0.300 1
79 13 13 GLN CA C 56.467 0.300 1
80 13 13 GLN CB C 28.994 0.300 1
81 13 13 GLN CG C 33.855 0.300 1
82 13 13 GLN N N 119.962 0.300 1
83 13 13 GLN NE2 N 112.295 0.300 1
84 14 14 ARG H H 8.118 0.030 1
85 14 14 ARG HA H 4.209 0.030 1
86 14 14 ARG HB2 H 1.823 0.030 2
87 14 14 ARG HB3 H 1.771 0.030 2
88 14 14 ARG HD2 H 3.127 0.030 1
89 14 14 ARG HD3 H 3.127 0.030 1
90 14 14 ARG HG2 H 1.594 0.030 1
91 14 14 ARG HG3 H 1.594 0.030 1
92 14 14 ARG C C 176.559 0.300 1
93 14 14 ARG CA C 56.811 0.300 1
94 14 14 ARG CB C 30.803 0.300 1
95 14 14 ARG CD C 43.358 0.300 1
96 14 14 ARG CG C 27.221 0.300 1
97 14 14 ARG N N 121.126 0.300 1
98 15 15 GLU H H 8.280 0.030 1
99 15 15 GLU HA H 4.196 0.030 1
100 15 15 GLU HB2 H 1.993 0.030 2
101 15 15 GLU HB3 H 1.903 0.030 2
102 15 15 GLU HG2 H 2.197 0.030 1
103 15 15 GLU HG3 H 2.197 0.030 1
104 15 15 GLU C C 176.385 0.300 1
105 15 15 GLU CA C 56.735 0.300 1
106 15 15 GLU CB C 30.205 0.300 1
107 15 15 GLU CG C 36.280 0.300 1
108 15 15 GLU N N 120.897 0.300 1
109 16 16 ARG H H 8.220 0.030 1
110 16 16 ARG HA H 4.266 0.030 1
111 16 16 ARG HB2 H 1.810 0.030 2
112 16 16 ARG HB3 H 1.720 0.030 2
113 16 16 ARG HD2 H 3.152 0.030 1
114 16 16 ARG HD3 H 3.152 0.030 1
115 16 16 ARG HG2 H 1.618 0.030 2
116 16 16 ARG HG3 H 1.564 0.030 2
117 16 16 ARG C C 176.171 0.300 1
118 16 16 ARG CA C 56.132 0.300 1
119 16 16 ARG CB C 30.712 0.300 1
120 16 16 ARG CD C 43.414 0.300 1
121 16 16 ARG CG C 27.221 0.300 1
122 16 16 ARG N N 121.841 0.300 1
123 17 17 ARG H H 8.262 0.030 1
124 17 17 ARG HA H 4.197 0.030 1
125 17 17 ARG HB2 H 1.639 0.030 2
126 17 17 ARG HB3 H 1.587 0.030 2
127 17 17 ARG HD2 H 3.060 0.030 2
128 17 17 ARG HD3 H 3.024 0.030 2
129 17 17 ARG HG2 H 1.468 0.030 2
130 17 17 ARG HG3 H 1.399 0.030 2
131 17 17 ARG C C 175.558 0.300 1
132 17 17 ARG CA C 55.998 0.300 1
133 17 17 ARG CB C 30.542 0.300 1
134 17 17 ARG CD C 43.378 0.300 1
135 17 17 ARG CG C 27.107 0.300 1
136 17 17 ARG N N 122.455 0.300 1
137 18 18 ARG H H 8.016 0.030 1
138 18 18 ARG HA H 4.279 0.030 1
139 18 18 ARG HB2 H 1.520 0.030 1
140 18 18 ARG HB3 H 1.520 0.030 1
141 18 18 ARG HD2 H 3.025 0.030 1
142 18 18 ARG HD3 H 3.025 0.030 1
143 18 18 ARG HG2 H 1.359 0.030 2
144 18 18 ARG HG3 H 1.312 0.030 2
145 18 18 ARG C C 175.266 0.300 1
146 18 18 ARG CA C 55.865 0.300 1
147 18 18 ARG CB C 31.979 0.300 1
148 18 18 ARG CD C 43.268 0.300 1
149 18 18 ARG CG C 27.062 0.300 1
150 18 18 ARG N N 120.635 0.300 1
151 19 19 TYR H H 8.465 0.030 1
152 19 19 TYR HA H 4.598 0.030 1
153 19 19 TYR HB2 H 2.954 0.030 2
154 19 19 TYR HB3 H 2.749 0.030 2
155 19 19 TYR HD1 H 6.958 0.030 1
156 19 19 TYR HD2 H 6.958 0.030 1
157 19 19 TYR HE1 H 6.795 0.030 1
158 19 19 TYR HE2 H 6.795 0.030 1
159 19 19 TYR C C 174.556 0.300 1
160 19 19 TYR CA C 57.419 0.300 1
161 19 19 TYR CB C 39.112 0.300 1
162 19 19 TYR CD1 C 133.069 0.300 1
163 19 19 TYR CD2 C 133.069 0.300 1
164 19 19 TYR CE1 C 118.132 0.300 1
165 19 19 TYR CE2 C 118.132 0.300 1
166 19 19 TYR N N 120.378 0.300 1
167 20 20 LYS H H 8.710 0.030 1
168 20 20 LYS HA H 4.903 0.030 1
169 20 20 LYS HB2 H 1.682 0.030 2
170 20 20 LYS HB3 H 1.559 0.030 2
171 20 20 LYS HD2 H 1.570 0.030 1
172 20 20 LYS HD3 H 1.570 0.030 1
173 20 20 LYS HE2 H 2.925 0.030 1
174 20 20 LYS HE3 H 2.925 0.030 1
175 20 20 LYS HG2 H 1.170 0.030 2
176 20 20 LYS HG3 H 1.136 0.030 2
177 20 20 LYS C C 175.106 0.300 1
178 20 20 LYS CA C 55.367 0.300 1
179 20 20 LYS CB C 35.514 0.300 1
180 20 20 LYS CD C 29.502 0.300 1
181 20 20 LYS CE C 42.020 0.300 1
182 20 20 LYS CG C 24.669 0.300 1
183 20 20 LYS N N 125.366 0.300 1
184 21 21 CYS H H 9.223 0.030 1
185 21 21 CYS HA H 4.513 0.030 1
186 21 21 CYS HB2 H 2.846 0.030 2
187 21 21 CYS HB3 H 3.432 0.030 2
188 21 21 CYS C C 176.703 0.300 1
189 21 21 CYS CA C 59.733 0.300 1
190 21 21 CYS CB C 29.848 0.300 1
191 21 21 CYS N N 127.220 0.300 1
192 22 22 ASP H H 9.146 0.030 1
193 22 22 ASP HA H 4.456 0.030 1
194 22 22 ASP HB2 H 2.769 0.030 2
195 22 22 ASP HB3 H 2.702 0.030 2
196 22 22 ASP C C 176.308 0.300 1
197 22 22 ASP CA C 56.495 0.300 1
198 22 22 ASP CB C 40.828 0.300 1
199 22 22 ASP N N 131.052 0.300 1
200 23 23 GLU H H 8.777 0.030 1
201 23 23 GLU HA H 4.229 0.030 1
202 23 23 GLU HB2 H 1.495 0.030 2
203 23 23 GLU HB3 H 1.386 0.030 2
204 23 23 GLU HG2 H 1.911 0.030 2
205 23 23 GLU HG3 H 1.790 0.030 2
206 23 23 GLU C C 177.156 0.300 1
207 23 23 GLU CA C 58.683 0.300 1
208 23 23 GLU CB C 29.855 0.300 1
209 23 23 GLU CG C 36.068 0.300 1
210 23 23 GLU N N 121.035 0.300 1
211 24 24 CYS H H 7.979 0.030 1
212 24 24 CYS HA H 5.135 0.030 1
213 24 24 CYS HB2 H 3.425 0.030 2
214 24 24 CYS HB3 H 2.839 0.030 2
215 24 24 CYS C C 176.221 0.300 1
216 24 24 CYS CA C 58.360 0.300 1
217 24 24 CYS CB C 32.535 0.300 1
218 24 24 CYS N N 114.694 0.300 1
219 25 25 GLY H H 8.219 0.030 1
220 25 25 GLY HA2 H 4.243 0.030 2
221 25 25 GLY HA3 H 3.779 0.030 2
222 25 25 GLY C C 173.848 0.300 1
223 25 25 GLY CA C 46.313 0.300 1
224 25 25 GLY N N 113.063 0.300 1
225 26 26 LYS H H 8.039 0.030 1
226 26 26 LYS HA H 4.031 0.030 1
227 26 26 LYS HB2 H 1.398 0.030 2
228 26 26 LYS HB3 H 1.254 0.030 2
229 26 26 LYS HD2 H 1.521 0.030 2
230 26 26 LYS HD3 H 1.464 0.030 2
231 26 26 LYS HE2 H 2.987 0.030 2
232 26 26 LYS HE3 H 2.935 0.030 2
233 26 26 LYS HG2 H 1.479 0.030 2
234 26 26 LYS HG3 H 1.129 0.030 2
235 26 26 LYS C C 174.457 0.300 1
236 26 26 LYS CA C 58.115 0.300 1
237 26 26 LYS CB C 33.943 0.300 1
238 26 26 LYS CD C 29.389 0.300 1
239 26 26 LYS CE C 42.247 0.300 1
240 26 26 LYS CG C 26.379 0.300 1
241 26 26 LYS N N 123.079 0.300 1
242 27 27 SER H H 7.966 0.030 1
243 27 27 SER HA H 5.268 0.030 1
244 27 27 SER HB2 H 3.550 0.030 1
245 27 27 SER HB3 H 3.550 0.030 1
246 27 27 SER C C 172.976 0.300 1
247 27 27 SER CA C 57.078 0.300 1
248 27 27 SER CB C 66.179 0.300 1
249 27 27 SER N N 115.150 0.300 1
250 28 28 PHE H H 8.770 0.030 1
251 28 28 PHE HA H 4.788 0.030 1
252 28 28 PHE HB2 H 3.564 0.030 2
253 28 28 PHE HB3 H 2.647 0.030 2
254 28 28 PHE HD1 H 7.260 0.030 1
255 28 28 PHE HD2 H 7.260 0.030 1
256 28 28 PHE HE1 H 6.854 0.030 1
257 28 28 PHE HE2 H 6.854 0.030 1
258 28 28 PHE HZ H 6.192 0.030 1
259 28 28 PHE C C 175.509 0.300 1
260 28 28 PHE CA C 57.402 0.300 1
261 28 28 PHE CB C 43.880 0.300 1
262 28 28 PHE CD1 C 132.181 0.300 1
263 28 28 PHE CD2 C 132.181 0.300 1
264 28 28 PHE CE1 C 130.550 0.300 1
265 28 28 PHE CE2 C 130.550 0.300 1
266 28 28 PHE CZ C 128.712 0.300 1
267 28 28 PHE N N 118.515 0.300 1
268 29 29 SER HA H 4.696 0.030 1
269 29 29 SER HB2 H 3.884 0.030 2
270 29 29 SER HB3 H 3.804 0.030 2
271 29 29 SER C C 173.512 0.300 1
272 29 29 SER CA C 60.024 0.300 1
273 29 29 SER CB C 63.974 0.300 1
274 30 30 HIS H H 7.661 0.030 1
275 30 30 HIS HA H 4.832 0.030 1
276 30 30 HIS HB2 H 3.131 0.030 2
277 30 30 HIS HB3 H 2.945 0.030 2
278 30 30 HIS HD2 H 7.172 0.030 1
279 30 30 HIS HE1 H 7.792 0.030 1
280 30 30 HIS C C 175.885 0.300 1
281 30 30 HIS CA C 55.561 0.300 1
282 30 30 HIS CB C 33.677 0.300 1
283 30 30 HIS CD2 C 119.820 0.300 1
284 30 30 HIS CE1 C 138.600 0.300 1
285 30 30 HIS N N 117.407 0.300 1
286 31 31 SER HA H 3.141 0.030 1
287 31 31 SER HB2 H 3.530 0.030 2
288 31 31 SER HB3 H 3.323 0.030 2
289 31 31 SER CA C 61.251 0.300 1
290 31 31 SER CB C 61.921 0.300 1
291 32 32 SER HA H 4.171 0.030 1
292 32 32 SER HB2 H 3.884 0.030 1
293 32 32 SER HB3 H 3.884 0.030 1
294 32 32 SER C C 176.924 0.300 1
295 32 32 SER CA C 61.111 0.300 1
296 32 32 SER CB C 62.002 0.300 1
297 33 33 ASP H H 7.021 0.030 1
298 33 33 ASP HA H 4.383 0.030 1
299 33 33 ASP HB2 H 2.854 0.030 2
300 33 33 ASP HB3 H 2.716 0.030 2
301 33 33 ASP C C 178.668 0.300 1
302 33 33 ASP CA C 56.787 0.300 1
303 33 33 ASP CB C 40.802 0.300 1
304 33 33 ASP N N 121.694 0.300 1
305 34 34 LEU H H 7.016 0.030 1
306 34 34 LEU HA H 3.329 0.030 1
307 34 34 LEU HB2 H 1.235 0.030 2
308 34 34 LEU HB3 H 1.950 0.030 2
309 34 34 LEU HD1 H 1.032 0.030 1
310 34 34 LEU HD2 H 1.015 0.030 1
311 34 34 LEU HG H 1.545 0.030 1
312 34 34 LEU C C 177.630 0.300 1
313 34 34 LEU CA C 57.795 0.300 1
314 34 34 LEU CB C 40.157 0.300 1
315 34 34 LEU CD1 C 26.600 0.300 2
316 34 34 LEU CD2 C 22.628 0.300 2
317 34 34 LEU CG C 27.596 0.300 1
318 34 34 LEU N N 121.443 0.300 1
319 35 35 SER H H 8.202 0.030 1
320 35 35 SER HA H 4.040 0.030 1
321 35 35 SER HB2 H 3.910 0.030 1
322 35 35 SER HB3 H 3.910 0.030 1
323 35 35 SER C C 177.303 0.300 1
324 35 35 SER CA C 62.096 0.300 1
325 35 35 SER CB C 62.364 0.300 1
326 35 35 SER N N 114.947 0.300 1
327 36 36 LYS H H 7.601 0.030 1
328 36 36 LYS HA H 3.925 0.030 1
329 36 36 LYS HB2 H 1.817 0.030 1
330 36 36 LYS HB3 H 1.817 0.030 1
331 36 36 LYS HD2 H 1.677 0.030 2
332 36 36 LYS HD3 H 1.650 0.030 2
333 36 36 LYS HE2 H 2.930 0.030 1
334 36 36 LYS HE3 H 2.930 0.030 1
335 36 36 LYS HG2 H 1.539 0.030 2
336 36 36 LYS HG3 H 1.366 0.030 2
337 36 36 LYS C C 178.993 0.300 1
338 36 36 LYS CA C 59.680 0.300 1
339 36 36 LYS CB C 32.636 0.300 1
340 36 36 LYS CD C 29.514 0.300 1
341 36 36 LYS CE C 42.134 0.300 1
342 36 36 LYS CG C 25.252 0.300 1
343 36 36 LYS N N 120.238 0.300 1
344 37 37 HIS H H 7.662 0.030 1
345 37 37 HIS HA H 4.250 0.030 1
346 37 37 HIS HB2 H 3.040 0.030 2
347 37 37 HIS HB3 H 2.874 0.030 2
348 37 37 HIS HD2 H 6.932 0.030 1
349 37 37 HIS HE1 H 8.012 0.030 1
350 37 37 HIS C C 178.104 0.300 1
351 37 37 HIS CA C 59.011 0.300 1
352 37 37 HIS CB C 28.541 0.300 1
353 37 37 HIS CD2 C 127.230 0.300 1
354 37 37 HIS CE1 C 139.621 0.300 1
355 37 37 HIS N N 118.664 0.300 1
356 38 38 ARG H H 8.780 0.030 1
357 38 38 ARG HA H 3.722 0.030 1
358 38 38 ARG HB2 H 2.062 0.030 2
359 38 38 ARG HB3 H 1.968 0.030 2
360 38 38 ARG HD2 H 3.396 0.030 2
361 38 38 ARG HD3 H 3.328 0.030 2
362 38 38 ARG HG2 H 2.065 0.030 1
363 38 38 ARG HG3 H 2.065 0.030 1
364 38 38 ARG C C 178.152 0.300 1
365 38 38 ARG CA C 60.251 0.300 1
366 38 38 ARG CB C 29.874 0.300 1
367 38 38 ARG CD C 43.603 0.300 1
368 38 38 ARG CG C 28.695 0.300 1
369 38 38 ARG N N 120.555 0.300 1
370 39 39 ARG H H 7.148 0.030 1
371 39 39 ARG HA H 4.164 0.030 1
372 39 39 ARG HB2 H 1.938 0.030 2
373 39 39 ARG HB3 H 1.845 0.030 2
374 39 39 ARG HD2 H 3.200 0.030 1
375 39 39 ARG HD3 H 3.200 0.030 1
376 39 39 ARG HG2 H 1.697 0.030 2
377 39 39 ARG HG3 H 1.832 0.030 2
378 39 39 ARG C C 177.932 0.300 1
379 39 39 ARG CA C 58.234 0.300 1
380 39 39 ARG CB C 29.949 0.300 1
381 39 39 ARG CD C 43.494 0.300 1
382 39 39 ARG CG C 27.504 0.300 1
383 39 39 ARG N N 116.539 0.300 1
384 40 40 THR H H 7.756 0.030 1
385 40 40 THR HA H 4.132 0.030 1
386 40 40 THR HB H 4.034 0.030 1
387 40 40 THR HG2 H 1.145 0.030 1
388 40 40 THR C C 175.451 0.300 1
389 40 40 THR CA C 63.738 0.300 1
390 40 40 THR CB C 69.442 0.300 1
391 40 40 THR CG2 C 20.996 0.300 1
392 40 40 THR N N 109.653 0.300 1
393 41 41 HIS H H 7.193 0.030 1
394 41 41 HIS HA H 4.915 0.030 1
395 41 41 HIS HB2 H 3.165 0.030 2
396 41 41 HIS HB3 H 3.283 0.030 2
397 41 41 HIS HD2 H 6.647 0.030 1
398 41 41 HIS HE1 H 8.018 0.030 1
399 41 41 HIS C C 175.446 0.300 1
400 41 41 HIS CA C 55.280 0.300 1
401 41 41 HIS CB C 28.642 0.300 1
402 41 41 HIS CD2 C 127.020 0.300 1
403 41 41 HIS CE1 C 139.683 0.300 1
404 41 41 HIS N N 118.917 0.300 1
405 42 42 THR H H 7.848 0.030 1
406 42 42 THR HA H 4.350 0.030 1
407 42 42 THR HB H 4.290 0.030 1
408 42 42 THR HG2 H 1.204 0.030 1
409 42 42 THR C C 175.145 0.300 1
410 42 42 THR CA C 62.314 0.300 1
411 42 42 THR CB C 69.853 0.300 1
412 42 42 THR CG2 C 21.537 0.300 1
413 42 42 THR N N 113.134 0.300 1
414 43 43 GLY H H 8.350 0.030 1
415 43 43 GLY HA2 H 4.002 0.030 2
416 43 43 GLY HA3 H 3.929 0.030 2
417 43 43 GLY C C 174.036 0.300 1
418 43 43 GLY CA C 45.279 0.300 1
419 43 43 GLY N N 110.795 0.300 1
420 44 44 GLU H H 8.128 0.030 1
421 44 44 GLU HA H 4.174 0.030 1
422 44 44 GLU HB2 H 1.968 0.030 2
423 44 44 GLU HB3 H 1.918 0.030 2
424 44 44 GLU HG2 H 2.261 0.030 1
425 44 44 GLU HG3 H 2.261 0.030 1
426 44 44 GLU C C 176.197 0.300 1
427 44 44 GLU CA C 56.792 0.300 1
428 44 44 GLU CB C 30.490 0.300 1
429 44 44 GLU CG C 36.347 0.300 1
430 44 44 GLU N N 120.351 0.300 1
431 45 45 LYS H H 8.222 0.030 1
432 45 45 LYS HA H 4.549 0.030 1
433 45 45 LYS HB2 H 1.587 0.030 2
434 45 45 LYS HB3 H 1.474 0.030 2
435 45 45 LYS HD2 H 1.498 0.030 1
436 45 45 LYS HD3 H 1.498 0.030 1
437 45 45 LYS HE2 H 2.907 0.030 1
438 45 45 LYS HE3 H 2.907 0.030 1
439 45 45 LYS HG2 H 1.369 0.030 2
440 45 45 LYS HG3 H 1.193 0.030 2
441 45 45 LYS C C 174.426 0.300 1
442 45 45 LYS CA C 53.855 0.300 1
443 45 45 LYS CB C 33.025 0.300 1
444 45 45 LYS CD C 29.520 0.300 1
445 45 45 LYS CE C 42.315 0.300 1
446 45 45 LYS CG C 25.096 0.300 1
447 45 45 LYS N N 121.818 0.300 1
448 46 46 PRO HA H 4.251 0.030 1
449 46 46 PRO HB2 H 2.012 0.030 2
450 46 46 PRO HB3 H 1.206 0.030 2
451 46 46 PRO HD2 H 3.711 0.030 2
452 46 46 PRO HD3 H 3.685 0.030 2
453 46 46 PRO HG2 H 1.823 0.030 2
454 46 46 PRO HG3 H 1.676 0.030 2
455 46 46 PRO C C 176.452 0.300 1
456 46 46 PRO CA C 63.616 0.300 1
457 46 46 PRO CB C 32.326 0.300 1
458 46 46 PRO CD C 50.526 0.300 1
459 46 46 PRO CG C 26.831 0.300 1
460 47 47 TYR H H 7.812 0.030 1
461 47 47 TYR HA H 4.687 0.030 1
462 47 47 TYR HB2 H 2.993 0.030 2
463 47 47 TYR HB3 H 2.818 0.030 2
464 47 47 TYR HD1 H 7.000 0.030 1
465 47 47 TYR HD2 H 7.000 0.030 1
466 47 47 TYR HE1 H 6.874 0.030 1
467 47 47 TYR HE2 H 6.874 0.030 1
468 47 47 TYR C C 174.469 0.300 1
469 47 47 TYR CA C 57.443 0.300 1
470 47 47 TYR CB C 38.817 0.300 1
471 47 47 TYR CD1 C 133.083 0.300 1
472 47 47 TYR CD2 C 133.083 0.300 1
473 47 47 TYR CE1 C 118.345 0.300 1
474 47 47 TYR CE2 C 118.345 0.300 1
475 47 47 TYR N N 118.097 0.300 1
476 48 48 LYS H H 8.674 0.030 1
477 48 48 LYS HA H 5.052 0.030 1
478 48 48 LYS HB2 H 1.674 0.030 2
479 48 48 LYS HB3 H 1.618 0.030 2
480 48 48 LYS HD2 H 1.611 0.030 1
481 48 48 LYS HD3 H 1.611 0.030 1
482 48 48 LYS HE2 H 2.953 0.030 1
483 48 48 LYS HE3 H 2.953 0.030 1
484 48 48 LYS HG2 H 1.220 0.030 1
485 48 48 LYS HG3 H 1.220 0.030 1
486 48 48 LYS C C 175.155 0.300 1
487 48 48 LYS CA C 55.087 0.300 1
488 48 48 LYS CB C 35.551 0.300 1
489 48 48 LYS CD C 29.432 0.300 1
490 48 48 LYS CE C 42.134 0.300 1
491 48 48 LYS CG C 24.816 0.300 1
492 48 48 LYS N N 124.435 0.300 1
493 49 49 CYS H H 9.224 0.030 1
494 49 49 CYS HA H 4.652 0.030 1
495 49 49 CYS HB2 H 3.397 0.030 2
496 49 49 CYS HB3 H 2.887 0.030 2
497 49 49 CYS C C 177.225 0.300 1
498 49 49 CYS CA C 59.544 0.300 1
499 49 49 CYS CB C 30.024 0.300 1
500 49 49 CYS N N 126.627 0.300 1
501 50 50 ASP H H 9.445 0.030 1
502 50 50 ASP HA H 4.482 0.030 1
503 50 50 ASP HB2 H 2.775 0.030 1
504 50 50 ASP HB3 H 2.775 0.030 1
505 50 50 ASP C C 176.419 0.300 1
506 50 50 ASP CA C 56.880 0.300 1
507 50 50 ASP CB C 40.953 0.300 1
508 50 50 ASP N N 132.025 0.300 1
509 51 51 GLU H H 8.871 0.030 1
510 51 51 GLU HA H 4.244 0.030 1
511 51 51 GLU HB2 H 1.329 0.030 1
512 51 51 GLU HB3 H 1.329 0.030 1
513 51 51 GLU HG2 H 1.867 0.030 2
514 51 51 GLU HG3 H 1.813 0.030 2
515 51 51 GLU C C 177.341 0.300 1
516 51 51 GLU CA C 58.305 0.300 1
517 51 51 GLU CB C 29.622 0.300 1
518 51 51 GLU CG C 35.576 0.300 1
519 51 51 GLU N N 121.183 0.300 1
520 52 52 CYS H H 8.119 0.030 1
521 52 52 CYS HA H 5.180 0.030 1
522 52 52 CYS HB2 H 3.451 0.030 2
523 52 52 CYS HB3 H 2.883 0.030 2
524 52 52 CYS C C 176.365 0.300 1
525 52 52 CYS CA C 58.441 0.300 1
526 52 52 CYS CB C 32.636 0.300 1
527 52 52 CYS N N 115.184 0.300 1
528 53 53 GLY H H 8.151 0.030 1
529 53 53 GLY HA2 H 4.245 0.030 2
530 53 53 GLY HA3 H 3.816 0.030 2
531 53 53 GLY C C 173.671 0.300 1
532 53 53 GLY CA C 46.301 0.300 1
533 53 53 GLY N N 113.265 0.300 1
534 54 54 LYS H H 8.017 0.030 1
535 54 54 LYS HA H 3.909 0.030 1
536 54 54 LYS HB2 H 1.433 0.030 2
537 54 54 LYS HB3 H 1.172 0.030 2
538 54 54 LYS HD2 H 1.505 0.030 2
539 54 54 LYS HD3 H 1.442 0.030 2
540 54 54 LYS HE2 H 2.970 0.030 2
541 54 54 LYS HE3 H 2.905 0.030 2
542 54 54 LYS HG2 H 1.368 0.030 2
543 54 54 LYS HG3 H 1.024 0.030 2
544 54 54 LYS C C 173.567 0.300 1
545 54 54 LYS CA C 58.344 0.300 1
546 54 54 LYS CB C 33.617 0.300 1
547 54 54 LYS CD C 29.399 0.300 1
548 54 54 LYS CE C 42.247 0.300 1
549 54 54 LYS CG C 26.200 0.300 1
550 54 54 LYS N N 123.343 0.300 1
551 55 55 ALA H H 7.776 0.030 1
552 55 55 ALA HA H 5.170 0.030 1
553 55 55 ALA HB H 1.205 0.030 1
554 55 55 ALA C C 176.225 0.300 1
555 55 55 ALA CA C 50.316 0.300 1
556 55 55 ALA CB C 22.576 0.300 1
557 55 55 ALA N N 124.093 0.300 1
558 56 56 PHE H H 8.798 0.030 1
559 56 56 PHE HA H 4.854 0.030 1
560 56 56 PHE HB2 H 3.508 0.030 2
561 56 56 PHE HB3 H 2.655 0.030 2
562 56 56 PHE HD1 H 7.282 0.030 1
563 56 56 PHE HD2 H 7.282 0.030 1
564 56 56 PHE HE1 H 6.854 0.030 1
565 56 56 PHE HE2 H 6.854 0.030 1
566 56 56 PHE HZ H 6.250 0.030 1
567 56 56 PHE C C 175.330 0.300 1
568 56 56 PHE CA C 57.240 0.300 1
569 56 56 PHE CB C 44.060 0.300 1
570 56 56 PHE CD1 C 132.464 0.300 1
571 56 56 PHE CD2 C 132.464 0.300 1
572 56 56 PHE CE1 C 130.643 0.300 1
573 56 56 PHE CE2 C 130.643 0.300 1
574 56 56 PHE CZ C 128.592 0.300 1
575 56 56 PHE N N 116.956 0.300 1
576 57 57 ILE H H 9.229 0.030 1
577 57 57 ILE HA H 4.326 0.030 1
578 57 57 ILE HB H 2.027 0.030 1
579 57 57 ILE HD1 H 0.979 0.030 1
580 57 57 ILE HG12 H 1.658 0.030 2
581 57 57 ILE HG13 H 1.407 0.030 2
582 57 57 ILE HG2 H 1.091 0.030 1
583 57 57 ILE C C 175.714 0.300 1
584 57 57 ILE CA C 63.192 0.300 1
585 57 57 ILE CB C 39.354 0.300 1
586 57 57 ILE CD1 C 13.604 0.300 1
587 57 57 ILE CG1 C 28.502 0.300 1
588 57 57 ILE CG2 C 18.060 0.300 1
589 57 57 ILE N N 119.226 0.300 1
590 58 58 GLN H H 7.369 0.030 1
591 58 58 GLN HA H 4.694 0.030 1
592 58 58 GLN HB2 H 1.866 0.030 2
593 58 58 GLN HB3 H 1.040 0.030 2
594 58 58 GLN HE21 H 7.310 0.030 2
595 58 58 GLN HE22 H 6.862 0.030 2
596 58 58 GLN HG2 H 2.098 0.030 1
597 58 58 GLN HG3 H 2.098 0.030 1
598 58 58 GLN C C 176.133 0.300 1
599 58 58 GLN CA C 53.808 0.300 1
600 58 58 GLN CB C 30.853 0.300 1
601 58 58 GLN CG C 33.577 0.300 1
602 58 58 GLN N N 114.713 0.300 1
603 58 58 GLN NE2 N 111.722 0.300 1
604 59 59 ARG H H 8.574 0.030 1
605 59 59 ARG HA H 2.916 0.030 1
606 59 59 ARG HB2 H 1.456 0.030 2
607 59 59 ARG HB3 H 1.040 0.030 2
608 59 59 ARG HD2 H 3.057 0.030 1
609 59 59 ARG HD3 H 3.057 0.030 1
610 59 59 ARG HG2 H 1.316 0.030 2
611 59 59 ARG HG3 H 1.169 0.030 2
612 59 59 ARG C C 178.504 0.300 1
613 59 59 ARG CA C 59.665 0.300 1
614 59 59 ARG CB C 29.354 0.300 1
615 59 59 ARG CD C 43.197 0.300 1
616 59 59 ARG CG C 27.643 0.300 1
617 59 59 ARG N N 127.045 0.300 1
618 60 60 SER HA H 3.908 0.030 1
619 60 60 SER HB2 H 3.833 0.030 1
620 60 60 SER HB3 H 3.833 0.030 1
621 60 60 SER C C 177.452 0.300 1
622 60 60 SER CA C 61.229 0.300 1
623 60 60 SER CB C 61.652 0.300 1
624 61 61 HIS H H 6.952 0.030 1
625 61 61 HIS HA H 4.446 0.030 1
626 61 61 HIS HB2 H 3.345 0.030 2
627 61 61 HIS HB3 H 3.140 0.030 2
628 61 61 HIS HD2 H 6.921 0.030 1
629 61 61 HIS HE1 H 7.777 0.030 1
630 61 61 HIS C C 177.885 0.300 1
631 61 61 HIS CA C 56.714 0.300 1
632 61 61 HIS CB C 31.647 0.300 1
633 61 61 HIS CD2 C 116.700 0.300 1
634 61 61 HIS CE1 C 138.860 0.300 1
635 61 61 HIS N N 122.067 0.300 1
636 62 62 LEU H H 6.900 0.030 1
637 62 62 LEU HA H 3.204 0.030 1
638 62 62 LEU HB2 H 1.205 0.030 2
639 62 62 LEU HB3 H 1.976 0.030 2
640 62 62 LEU HD1 H 1.018 0.030 1
641 62 62 LEU HD2 H 0.971 0.030 1
642 62 62 LEU HG H 1.368 0.030 1
643 62 62 LEU C C 177.259 0.300 1
644 62 62 LEU CA C 57.711 0.300 1
645 62 62 LEU CB C 40.497 0.300 1
646 62 62 LEU CD1 C 26.396 0.300 2
647 62 62 LEU CD2 C 22.701 0.300 2
648 62 62 LEU CG C 27.420 0.300 1
649 62 62 LEU N N 122.152 0.300 1
650 63 63 ILE H H 7.939 0.030 1
651 63 63 ILE HA H 3.602 0.030 1
652 63 63 ILE HB H 1.759 0.030 1
653 63 63 ILE HD1 H 0.721 0.030 1
654 63 63 ILE HG12 H 1.465 0.030 2
655 63 63 ILE HG13 H 1.225 0.030 2
656 63 63 ILE HG2 H 0.871 0.030 1
657 63 63 ILE C C 179.662 0.300 1
658 63 63 ILE CA C 64.178 0.300 1
659 63 63 ILE CB C 37.259 0.300 1
660 63 63 ILE CD1 C 11.982 0.300 1
661 63 63 ILE CG1 C 28.510 0.300 1
662 63 63 ILE CG2 C 17.152 0.300 1
663 63 63 ILE N N 118.600 0.300 1
664 64 64 GLY H H 7.792 0.030 1
665 64 64 GLY HA2 H 3.829 0.030 1
666 64 64 GLY HA3 H 3.829 0.030 1
667 64 64 GLY C C 176.068 0.300 1
668 64 64 GLY CA C 46.869 0.300 1
669 64 64 GLY N N 125.815 0.300 1
670 65 65 HIS H H 7.625 0.030 1
671 65 65 HIS HA H 4.281 0.030 1
672 65 65 HIS HB2 H 2.888 0.030 2
673 65 65 HIS HB3 H 3.221 0.030 2
674 65 65 HIS HD2 H 7.034 0.030 1
675 65 65 HIS HE1 H 8.013 0.030 1
676 65 65 HIS C C 175.894 0.300 1
677 65 65 HIS CA C 58.611 0.300 1
678 65 65 HIS CB C 28.692 0.300 1
679 65 65 HIS CD2 C 127.231 0.300 1
680 65 65 HIS CE1 C 139.613 0.300 1
681 65 65 HIS N N 121.239 0.300 1
682 66 66 HIS H H 8.193 0.030 1
683 66 66 HIS HA H 4.099 0.030 1
684 66 66 HIS HB2 H 3.388 0.030 2
685 66 66 HIS HB3 H 3.206 0.030 2
686 66 66 HIS HD2 H 7.416 0.030 1
687 66 66 HIS HE1 H 7.966 0.030 1
688 66 66 HIS C C 176.922 0.300 1
689 66 66 HIS CA C 59.575 0.300 1
690 66 66 HIS CB C 30.501 0.300 1
691 66 66 HIS CD2 C 119.362 0.300 1
692 66 66 HIS CE1 C 138.129 0.300 1
693 66 66 HIS N N 117.118 0.300 1
694 67 67 ARG H H 7.192 0.030 1
695 67 67 ARG HA H 4.151 0.030 1
696 67 67 ARG HB2 H 1.843 0.030 1
697 67 67 ARG HB3 H 1.843 0.030 1
698 67 67 ARG HD2 H 3.214 0.030 1
699 67 67 ARG HD3 H 3.214 0.030 1
700 67 67 ARG HG2 H 1.742 0.030 1
701 67 67 ARG HG3 H 1.742 0.030 1
702 67 67 ARG C C 178.370 0.300 1
703 67 67 ARG CA C 58.245 0.300 1
704 67 67 ARG CB C 30.034 0.300 1
705 67 67 ARG CD C 43.378 0.300 1
706 67 67 ARG CG C 27.340 0.300 1
707 67 67 ARG N N 115.624 0.300 1
708 68 68 VAL H H 7.946 0.030 1
709 68 68 VAL HA H 3.874 0.030 1
710 68 68 VAL HB H 1.848 0.030 1
711 68 68 VAL HG1 H 0.631 0.030 1
712 68 68 VAL HG2 H 0.465 0.030 1
713 68 68 VAL C C 177.189 0.300 1
714 68 68 VAL CA C 64.054 0.300 1
715 68 68 VAL CB C 31.089 0.300 1
716 68 68 VAL CG1 C 19.965 0.300 2
717 68 68 VAL CG2 C 19.740 0.300 2
718 68 68 VAL N N 116.626 0.300 1
719 69 69 HIS H H 7.344 0.030 1
720 69 69 HIS HA H 4.826 0.030 1
721 69 69 HIS HB2 H 2.999 0.030 2
722 69 69 HIS HB3 H 3.312 0.030 2
723 69 69 HIS HD2 H 6.673 0.030 1
724 69 69 HIS HE1 H 8.018 0.030 1
725 69 69 HIS C C 175.545 0.300 1
726 69 69 HIS CA C 55.136 0.300 1
727 69 69 HIS CB C 28.728 0.300 1
728 69 69 HIS CD2 C 127.552 0.300 1
729 69 69 HIS CE1 C 139.586 0.300 1
730 69 69 HIS N N 117.300 0.300 1
731 70 70 THR H H 7.720 0.030 1
732 70 70 THR HA H 4.375 0.030 1
733 70 70 THR HB H 4.311 0.030 1
734 70 70 THR HG2 H 1.189 0.030 1
735 70 70 THR C C 175.382 0.300 1
736 70 70 THR CA C 62.230 0.300 1
737 70 70 THR CB C 69.995 0.300 1
738 70 70 THR CG2 C 21.547 0.300 1
739 70 70 THR N N 111.571 0.300 1
740 71 71 GLY H H 8.316 0.030 1
741 71 71 GLY HA2 H 4.051 0.030 1
742 71 71 GLY HA3 H 4.051 0.030 1
743 71 71 GLY C C 174.292 0.300 1
744 71 71 GLY CA C 45.571 0.300 1
745 71 71 GLY N N 111.071 0.300 1
746 72 72 SER H H 8.236 0.030 1
747 72 72 SER HA H 4.515 0.030 1
748 72 72 SER HB2 H 3.878 0.030 1
749 72 72 SER HB3 H 3.878 0.030 1
750 72 72 SER C C 174.635 0.300 1
751 72 72 SER CA C 58.258 0.300 1
752 72 72 SER CB C 64.076 0.300 1
753 72 72 SER N N 115.495 0.300 1
754 73 73 GLY H H 8.310 0.030 1
755 73 73 GLY HA2 H 4.129 0.030 2
756 73 73 GLY HA3 H 4.089 0.030 2
757 73 73 GLY C C 171.822 0.300 1
758 73 73 GLY CA C 44.676 0.300 1
759 73 73 GLY N N 110.677 0.300 1
760 74 74 PRO HA H 4.461 0.030 1
761 74 74 PRO HB2 H 2.278 0.030 2
762 74 74 PRO HB3 H 1.966 0.030 2
763 74 74 PRO HD2 H 3.614 0.030 1
764 74 74 PRO HD3 H 3.614 0.030 1
765 74 74 PRO HG2 H 2.006 0.030 1
766 74 74 PRO HG3 H 2.006 0.030 1
767 74 74 PRO C C 177.374 0.300 1
768 74 74 PRO CA C 63.274 0.300 1
769 74 74 PRO CB C 32.246 0.300 1
770 74 74 PRO CD C 49.795 0.300 1
771 74 74 PRO CG C 27.163 0.300 1
772 75 75 SER H H 8.511 0.030 1
773 75 75 SER HA H 4.503 0.030 1
774 75 75 SER HB2 H 3.903 0.030 1
775 75 75 SER HB3 H 3.903 0.030 1
776 75 75 SER C C 174.651 0.300 1
777 75 75 SER CA C 58.363 0.300 1
778 75 75 SER CB C 64.127 0.300 1
779 75 75 SER N N 116.342 0.300 1
780 76 76 SER HA H 4.494 0.030 1
781 76 76 SER HB2 H 3.901 0.030 1
782 76 76 SER HB3 H 3.901 0.030 1
783 76 76 SER C C 174.289 0.300 1
784 76 76 SER CA C 58.370 0.300 1
785 76 76 SER CB C 64.127 0.300 1
786 77 77 GLY H H 8.042 0.030 1
787 77 77 GLY HA2 H 3.815 0.030 1
788 77 77 GLY HA3 H 3.815 0.030 1
789 77 77 GLY C C 178.986 0.300 1
790 77 77 GLY CA C 46.204 0.300 1
791 77 77 GLY N N 116.829 0.300 1
stop_
save_