data_6464
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Structure of the hypothetical Arabidopsis thaliana protein At1g16640.1
;
_BMRB_accession_number 6464
_BMRB_flat_file_name bmr6464.str
_Entry_type new
_Submission_date 2005-01-19
_Accession_date 2005-01-19
_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 Peterson F. C. .
2 Waltner J. L. .
3 Lytle B. L. .
4 Volkman B. F. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 518
"13C chemical shifts" 370
"15N chemical shifts" 99
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2009-07-02 update BMRB 'added time domain data'
2005-10-07 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Structure of the B3 domain from Arabidopsis thaliana protein At1g16640.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 16081658
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Waltner J. K. .
2 Peterson F. C. .
3 Lytle B. L. .
4 Volkman B. F. .
stop_
_Journal_abbreviation 'Protein Sci.'
_Journal_volume 14
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 2478
_Page_last 2483
_Year 2005
_Details .
loop_
_Keyword
CESG
'Protein Structure Initiative'
'structural genomics'
PSI
'Center for Eukaryotic Structural Genomics'
stop_
save_
##################################
# Molecular system description #
##################################
save_system_At1g16640
_Saveframe_category molecular_system
_Mol_system_name At1g16640
_Abbreviation_common At1g16640
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
At1g16640 $At1g16640
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state monomer
_System_paramagnetic no
_System_thiol_state 'all free'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_At1g16640
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common At1g16640
_Abbreviation_common At1g16640
_Molecular_mass .
_Mol_thiol_state 'all free'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 104
_Mol_residue_sequence
;
GSMADTGEVQFMKPFISEKS
SKSLEIPLGFNEYFPAPFPI
TVDLLDYSGRSWTVRMKKRG
EKVFLTVGWENFVKDNNLED
GKYLQFIYDRDRTFYVIIYG
HNMC
;
loop_
_Residue_seq_code
_Residue_author_seq_code
_Residue_label
1 -2 GLY 2 -1 SER 3 1 MET 4 2 ALA 5 3 ASP
6 4 THR 7 5 GLY 8 6 GLU 9 7 VAL 10 8 GLN
11 9 PHE 12 10 MET 13 11 LYS 14 12 PRO 15 13 PHE
16 14 ILE 17 15 SER 18 16 GLU 19 17 LYS 20 18 SER
21 19 SER 22 20 LYS 23 21 SER 24 22 LEU 25 23 GLU
26 24 ILE 27 25 PRO 28 26 LEU 29 27 GLY 30 28 PHE
31 29 ASN 32 30 GLU 33 31 TYR 34 32 PHE 35 33 PRO
36 34 ALA 37 35 PRO 38 36 PHE 39 37 PRO 40 38 ILE
41 39 THR 42 40 VAL 43 41 ASP 44 42 LEU 45 43 LEU
46 44 ASP 47 45 TYR 48 46 SER 49 47 GLY 50 48 ARG
51 49 SER 52 50 TRP 53 51 THR 54 52 VAL 55 53 ARG
56 54 MET 57 55 LYS 58 56 LYS 59 57 ARG 60 58 GLY
61 59 GLU 62 60 LYS 63 61 VAL 64 62 PHE 65 63 LEU
66 64 THR 67 65 VAL 68 66 GLY 69 67 TRP 70 68 GLU
71 69 ASN 72 70 PHE 73 71 VAL 74 72 LYS 75 73 ASP
76 74 ASN 77 75 ASN 78 76 LEU 79 77 GLU 80 78 ASP
81 79 GLY 82 80 LYS 83 81 TYR 84 82 LEU 85 83 GLN
86 84 PHE 87 85 ILE 88 86 TYR 89 87 ASP 90 88 ARG
91 89 ASP 92 90 ARG 93 91 THR 94 92 PHE 95 93 TYR
96 94 VAL 97 95 ILE 98 96 ILE 99 97 TYR 100 98 GLY
101 99 HIS 102 100 ASN 103 101 MET 104 102 CYS
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-11-09
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 1YEL "Structure Of The Hypothetical Arabidopsis Thaliana Protein At1g16640.1" 100.00 104 100.00 100.00 1.17e-70
DBJ BAH30298 "hypothetical protein [Arabidopsis thaliana]" 98.08 134 100.00 100.00 4.80e-69
GB AAG10819 "Unknown protein [Arabidopsis thaliana]" 98.08 134 100.00 100.00 4.80e-69
GB AAS99655 "At1g16640 [Arabidopsis thaliana]" 98.08 134 100.00 100.00 4.80e-69
GB AAT41794 "At1g16640 [Arabidopsis thaliana]" 98.08 134 100.00 100.00 4.80e-69
GB AEE29479 "AP2/B3-like transcriptional factor family protein [Arabidopsis thaliana]" 98.08 134 100.00 100.00 4.80e-69
REF NP_173109 "AP2/B3-like transcriptional factor family protein [Arabidopsis thaliana]" 98.08 134 100.00 100.00 4.80e-69
SP Q9FX77 "RecName: Full=B3 domain-containing protein At1g16640 [Arabidopsis thaliana]" 98.08 134 100.00 100.00 4.80e-69
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$At1g16640 'Arabidopsis thaliana' 3702 Eukaryota Viridiplantae Arabidopsis thaliana
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$At1g16640 'recombinant technology' 'E. coli' . . . .
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
$At1g16640 0.8 mM '[U-15N; U-13C]'
PO4 20 mM .
NaCl 50 mM .
H2O 90 % .
D2O 10 % .
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Saveframe_category software
_Name XWINNMR
_Version 3.5
loop_
_Task
collection
stop_
_Details 'Bruker Biospin'
save_
save_NMRPipe
_Saveframe_category software
_Name NMRPipe
_Version 2004
loop_
_Task
processing
stop_
_Details 'Frank Delaglio'
save_
save_SPSCAN
_Saveframe_category software
_Name SPSCAN
_Version .
loop_
_Task
'data analysis'
stop_
_Details 'Ralf Glaser'
save_
save_XEASY
_Saveframe_category software
_Name XEASY
_Version 1.3
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_GARANT
_Saveframe_category software
_Name GARANT
_Version 2.1
loop_
_Task
'data analysis'
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version 1.0.6
loop_
_Task
'structure solution'
stop_
_Details 'Peter Guntert'
save_
save_X-PLOR
_Saveframe_category software
_Name X-PLOR
_Version NIH
loop_
_Task
refinement
stop_
_Details 'G. Marius Clore'
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model AVANCE
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_3D_13C-separated_NOESY_(aliphatic)_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY (aliphatic)'
_Sample_label .
save_
save_3D_15N-separated_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_Sample_label .
save_
save_3D_13C-separated_NOESY_(aromatic)_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY (aromatic)'
_Sample_label .
save_
save_NMR_spectrometer_expt_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY (aliphatic)'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 15N-separated NOESY'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NMR_spectrometer_expt_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D 13C-separated NOESY (aromatic)'
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_sample_cond_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 7.0 . pH
temperature 298 . K
'ionic strength' 70 . mM
pressure 1 . atm
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_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 . direct external . . . 1.000000000
DSS C 13 'methyl protons' ppm . indirect external . . . 0.251449530
DSS N 15 'methyl protons' ppm . indirect external . . . 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_set_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_cond_1
_Chem_shift_reference_set_label $chemical_shift_reference
_Mol_system_component_name At1g16640
_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 . 3 MET CA C 56.0 0.1 1
2 . 3 MET HA H 4.50 0.02 1
3 . 3 MET CB C 32.8 0.1 1
4 . 3 MET HB2 H 2.11 0.02 2
5 . 3 MET HB3 H 2.01 0.02 2
6 . 3 MET CG C 32.5 0.1 1
7 . 3 MET HG2 H 2.61 0.02 2
8 . 3 MET HG3 H 2.56 0.02 2
9 . 3 MET C C 176.2 0.1 1
10 . 4 ALA N N 124.6 0.1 1
11 . 4 ALA H H 8.30 0.02 1
12 . 4 ALA CA C 52.9 0.1 1
13 . 4 ALA HA H 4.32 0.02 1
14 . 4 ALA HB H 1.40 0.02 1
15 . 4 ALA CB C 19.3 0.1 1
16 . 4 ALA C C 177.6 0.1 1
17 . 5 ASP N N 119.7 0.1 1
18 . 5 ASP H H 8.26 0.02 1
19 . 5 ASP CA C 54.7 0.1 1
20 . 5 ASP HA H 4.66 0.02 1
21 . 5 ASP CB C 41.7 0.1 1
22 . 5 ASP HB2 H 2.70 0.02 1
23 . 5 ASP HB3 H 2.70 0.02 1
24 . 5 ASP C C 176.4 0.1 1
25 . 6 THR N N 112.3 0.1 1
26 . 6 THR H H 7.99 0.02 1
27 . 6 THR CA C 61.6 0.1 1
28 . 6 THR HA H 4.34 0.02 1
29 . 6 THR CB C 70.0 0.1 1
30 . 6 THR HB H 4.34 0.02 1
31 . 6 THR HG2 H 1.19 0.02 1
32 . 6 THR CG2 C 21.8 0.1 1
33 . 6 THR C C 175.3 0.1 1
34 . 7 GLY N N 110.9 0.1 1
35 . 7 GLY H H 8.34 0.02 1
36 . 7 GLY CA C 45.5 0.1 1
37 . 7 GLY HA2 H 4.01 0.02 2
38 . 7 GLY HA3 H 3.93 0.02 2
39 . 7 GLY C C 173.7 0.1 1
40 . 8 GLU N N 120.1 0.1 1
41 . 8 GLU H H 8.21 0.02 1
42 . 8 GLU CA C 57.2 0.1 1
43 . 8 GLU HA H 4.45 0.02 1
44 . 8 GLU CB C 30.9 0.1 1
45 . 8 GLU HB2 H 1.93 0.02 1
46 . 8 GLU HB3 H 1.93 0.02 1
47 . 8 GLU CG C 36.7 0.1 1
48 . 8 GLU HG2 H 2.21 0.02 1
49 . 8 GLU HG3 H 2.21 0.02 1
50 . 8 GLU C C 176.7 0.1 1
51 . 9 VAL N N 118.3 0.1 1
52 . 9 VAL H H 8.30 0.02 1
53 . 9 VAL CA C 60.6 0.1 1
54 . 9 VAL HA H 4.50 0.02 1
55 . 9 VAL CB C 34.2 0.1 1
56 . 9 VAL HB H 1.89 0.02 1
57 . 9 VAL HG1 H 0.31 0.02 2
58 . 9 VAL HG2 H 0.51 0.02 2
59 . 9 VAL CG1 C 22.1 0.1 1
60 . 9 VAL CG2 C 19.6 0.1 1
61 . 9 VAL C C 174.4 0.1 1
62 . 10 GLN N N 119.2 0.1 1
63 . 10 GLN H H 8.64 0.02 1
64 . 10 GLN CA C 54.0 0.1 1
65 . 10 GLN HA H 6.23 0.02 1
66 . 10 GLN CB C 32.9 0.1 1
67 . 10 GLN HB2 H 2.40 0.02 2
68 . 10 GLN HB3 H 2.26 0.02 2
69 . 10 GLN CG C 34.4 0.1 1
70 . 10 GLN HG2 H 2.15 0.02 1
71 . 10 GLN HG3 H 2.15 0.02 1
72 . 10 GLN NE2 N 110.9 0.1 1
73 . 10 GLN HE21 H 7.46 0.02 2
74 . 10 GLN HE22 H 6.66 0.02 2
75 . 10 GLN C C 175.4 0.1 1
76 . 11 PHE N N 115.0 0.1 1
77 . 11 PHE H H 8.55 0.02 1
78 . 11 PHE CA C 57.4 0.1 1
79 . 11 PHE HA H 5.03 0.02 1
80 . 11 PHE CB C 41.5 0.1 1
81 . 11 PHE HB2 H 3.10 0.02 2
82 . 11 PHE HB3 H 2.95 0.02 2
83 . 11 PHE C C 171.9 0.1 1
84 . 12 MET N N 120.2 0.1 1
85 . 12 MET H H 8.74 0.02 1
86 . 12 MET CA C 53.8 0.1 1
87 . 12 MET HA H 5.84 0.02 1
88 . 12 MET CB C 36.0 0.1 1
89 . 12 MET HB2 H 2.13 0.02 1
90 . 12 MET HB3 H 2.13 0.02 1
91 . 12 MET CG C 32.5 0.1 1
92 . 12 MET HG2 H 2.65 0.02 2
93 . 12 MET HG3 H 2.60 0.02 2
94 . 12 MET HE H 1.84 0.02 1
95 . 12 MET CE C 17.3 0.1 1
96 . 12 MET C C 176.3 0.1 1
97 . 13 LYS N N 124.4 0.1 1
98 . 13 LYS H H 9.48 0.02 1
99 . 13 LYS CA C 53.8 0.1 1
100 . 13 LYS HA H 5.15 0.02 1
101 . 13 LYS CB C 37.3 0.1 1
102 . 13 LYS HB2 H 2.08 0.02 2
103 . 13 LYS HB3 H 1.86 0.02 2
104 . 13 LYS HD2 H 1.66 0.02 1
105 . 13 LYS HD3 H 1.66 0.02 1
106 . 13 LYS CE C 42.2 0.1 1
107 . 13 LYS HE2 H 3.00 0.02 1
108 . 13 LYS HE3 H 3.00 0.02 1
109 . 14 PRO CD C 51.3 0.1 1
110 . 14 PRO CA C 62.8 0.1 1
111 . 14 PRO HA H 4.29 0.02 1
112 . 14 PRO CB C 32.3 0.1 1
113 . 14 PRO HB2 H 1.66 0.02 1
114 . 14 PRO HB3 H 1.66 0.02 1
115 . 14 PRO CG C 27.3 0.1 1
116 . 14 PRO HG2 H 2.05 0.02 1
117 . 14 PRO HG3 H 2.05 0.02 1
118 . 14 PRO HD2 H 3.89 0.02 1
119 . 14 PRO HD3 H 3.89 0.02 1
120 . 14 PRO C C 176.0 0.1 1
121 . 15 PHE N N 122.3 0.1 1
122 . 15 PHE H H 8.73 0.02 1
123 . 15 PHE CA C 59.3 0.1 1
124 . 15 PHE HA H 4.25 0.02 1
125 . 15 PHE CB C 39.8 0.1 1
126 . 15 PHE HB2 H 3.15 0.02 2
127 . 15 PHE HB3 H 2.57 0.02 2
128 . 15 PHE C C 172.9 0.1 1
129 . 16 ILE N N 130.2 0.1 1
130 . 16 ILE H H 7.26 0.02 1
131 . 16 ILE CA C 58.9 0.1 1
132 . 16 ILE HA H 4.36 0.02 1
133 . 16 ILE CB C 39.0 0.1 1
134 . 16 ILE HB H 1.75 0.02 1
135 . 16 ILE HG2 H 0.96 0.02 1
136 . 16 ILE CG2 C 18.3 0.1 1
137 . 16 ILE CG1 C 27.0 0.1 1
138 . 16 ILE HG12 H 1.33 0.02 2
139 . 16 ILE HG13 H 1.11 0.02 2
140 . 16 ILE HD1 H 0.83 0.02 1
141 . 16 ILE CD1 C 12.1 0.1 1
142 . 16 ILE C C 177.1 0.1 1
143 . 17 SER N N 128.9 0.1 1
144 . 17 SER H H 10.10 0.02 1
145 . 17 SER CA C 59.3 0.1 1
146 . 17 SER HA H 3.86 0.02 1
147 . 17 SER CB C 62.9 0.1 1
148 . 17 SER HB2 H 4.00 0.02 2
149 . 17 SER HB3 H 3.61 0.02 2
150 . 17 SER C C 177.3 0.1 1
151 . 18 GLU N N 119.8 0.1 1
152 . 18 GLU H H 8.91 0.02 1
153 . 18 GLU CA C 59.1 0.1 1
154 . 18 GLU HA H 4.14 0.02 1
155 . 18 GLU CB C 30.1 0.1 1
156 . 18 GLU HB2 H 2.10 0.02 2
157 . 18 GLU HB3 H 1.93 0.02 2
158 . 18 GLU CG C 36.0 0.1 1
159 . 18 GLU HG2 H 2.29 0.02 1
160 . 18 GLU HG3 H 2.29 0.02 1
161 . 18 GLU C C 177.3 0.1 1
162 . 19 LYS N N 114.3 0.1 1
163 . 19 LYS H H 7.06 0.02 1
164 . 19 LYS CA C 56.6 0.1 1
165 . 19 LYS HA H 4.57 0.02 1
166 . 19 LYS CB C 34.9 0.1 1
167 . 19 LYS HB2 H 1.90 0.02 2
168 . 19 LYS HB3 H 1.80 0.02 2
169 . 19 LYS CG C 25.0 0.1 1
170 . 19 LYS HG2 H 1.37 0.02 2
171 . 19 LYS HG3 H 1.49 0.02 2
172 . 19 LYS HD2 H 1.67 0.02 1
173 . 19 LYS HD3 H 1.67 0.02 1
174 . 19 LYS HE2 H 2.96 0.02 1
175 . 19 LYS HE3 H 2.96 0.02 1
176 . 19 LYS C C 180.2 0.1 1
177 . 20 SER N N 113.5 0.1 1
178 . 20 SER H H 8.00 0.02 1
179 . 20 SER CA C 57.9 0.1 1
180 . 20 SER HA H 5.99 0.02 1
181 . 20 SER CB C 64.6 0.1 1
182 . 20 SER HB2 H 4.52 0.02 2
183 . 20 SER HB3 H 3.19 0.02 2
184 . 20 SER C C 174.3 0.1 1
185 . 21 SER N N 116.4 0.1 1
186 . 21 SER H H 8.21 0.02 1
187 . 21 SER CA C 63.2 0.1 1
188 . 21 SER HA H 4.17 0.02 1
189 . 21 SER CB C 61.8 0.1 1
190 . 21 SER HB2 H 4.14 0.02 1
191 . 21 SER HB3 H 4.14 0.02 1
192 . 21 SER C C 174.4 0.1 1
193 . 22 LYS N N 116.8 0.1 1
194 . 22 LYS H H 8.35 0.02 1
195 . 22 LYS CA C 56.7 0.1 1
196 . 22 LYS HA H 4.73 0.02 1
197 . 22 LYS CB C 35.1 0.1 1
198 . 22 LYS HB2 H 2.00 0.02 2
199 . 22 LYS HB3 H 1.78 0.02 2
200 . 22 LYS HE2 H 3.01 0.02 1
201 . 22 LYS HE3 H 3.01 0.02 1
202 . 22 LYS C C 176.1 0.1 1
203 . 23 SER N N 114.6 0.1 1
204 . 23 SER H H 8.18 0.02 1
205 . 23 SER CA C 57.0 0.1 1
206 . 23 SER HA H 4.96 0.02 1
207 . 23 SER CB C 66.3 0.1 1
208 . 23 SER HB2 H 3.90 0.02 2
209 . 23 SER HB3 H 3.82 0.02 2
210 . 23 SER C C 171.0 0.1 1
211 . 24 LEU N N 120.4 0.1 1
212 . 24 LEU H H 8.08 0.02 1
213 . 24 LEU CA C 52.5 0.1 1
214 . 24 LEU HA H 4.52 0.02 1
215 . 24 LEU CB C 43.8 0.1 1
216 . 24 LEU HB2 H 0.64 0.02 2
217 . 24 LEU HB3 H -0.47 0.02 2
218 . 24 LEU HG H 0.80 0.02 1
219 . 24 LEU HD1 H 0.25 0.02 2
220 . 24 LEU HD2 H 0.58 0.02 2
221 . 24 LEU CD1 C 25.0 0.1 1
222 . 24 LEU CD2 C 23.1 0.1 1
223 . 24 LEU C C 174.9 0.1 1
224 . 25 GLU N N 128.6 0.1 1
225 . 25 GLU H H 8.46 0.02 1
226 . 25 GLU CA C 55.5 0.1 1
227 . 25 GLU HA H 3.52 0.02 1
228 . 25 GLU CB C 30.9 0.1 1
229 . 25 GLU HB2 H 1.72 0.02 2
230 . 25 GLU HB3 H 1.47 0.02 2
231 . 25 GLU CG C 35.4 0.1 1
232 . 25 GLU HG2 H 1.53 0.02 2
233 . 25 GLU HG3 H 1.21 0.02 2
234 . 25 GLU C C 174.9 0.1 1
235 . 26 ILE N N 131.9 0.1 1
236 . 26 ILE H H 8.34 0.02 1
237 . 26 ILE CA C 57.4 0.1 1
238 . 26 ILE HA H 3.43 0.02 1
239 . 26 ILE CB C 37.3 0.1 1
240 . 26 ILE HB H 1.82 0.02 1
241 . 26 ILE HG2 H 0.62 0.02 1
242 . 26 ILE CG2 C 16.3 0.1 1
243 . 26 ILE CG1 C 27.9 0.1 1
244 . 26 ILE HG12 H 1.11 0.02 2
245 . 26 ILE HG13 H 0.82 0.02 2
246 . 26 ILE HD1 H 0.34 0.02 1
247 . 26 ILE CD1 C 11.1 0.1 1
248 . 27 PRO CD C 50.3 0.1 1
249 . 27 PRO CA C 63.6 0.1 1
250 . 27 PRO HA H 4.17 0.02 1
251 . 27 PRO CB C 32.2 0.1 1
252 . 27 PRO HB2 H 2.24 0.02 2
253 . 27 PRO HB3 H 1.75 0.02 2
254 . 27 PRO CG C 28.3 0.1 1
255 . 27 PRO HG2 H 1.69 0.02 2
256 . 27 PRO HG3 H 1.51 0.02 2
257 . 27 PRO HD2 H 2.66 0.02 2
258 . 27 PRO HD3 H 1.83 0.02 2
259 . 27 PRO C C 177.1 0.1 1
260 . 28 LEU N N 124.7 0.1 1
261 . 28 LEU H H 8.01 0.02 1
262 . 28 LEU CA C 57.8 0.1 1
263 . 28 LEU HA H 4.14 0.02 1
264 . 28 LEU CB C 42.8 0.1 1
265 . 28 LEU HB2 H 1.60 0.02 1
266 . 28 LEU HB3 H 1.60 0.02 1
267 . 28 LEU CG C 27.3 0.1 1
268 . 28 LEU HG H 1.71 0.02 1
269 . 28 LEU HD1 H 0.92 0.02 2
270 . 28 LEU HD2 H 0.90 0.02 2
271 . 28 LEU CD1 C 25.0 0.1 1
272 . 28 LEU CD2 C 23.7 0.1 1
273 . 28 LEU C C 180.0 0.1 1
274 . 29 GLY N N 106.2 0.1 1
275 . 29 GLY H H 8.74 0.02 1
276 . 29 GLY CA C 46.4 0.1 1
277 . 29 GLY HA2 H 3.93 0.02 2
278 . 29 GLY HA3 H 3.85 0.02 2
279 . 29 GLY C C 174.6 0.1 1
280 . 30 PHE N N 122.0 0.1 1
281 . 30 PHE H H 8.03 0.02 1
282 . 30 PHE CA C 58.6 0.1 1
283 . 30 PHE HA H 4.31 0.02 1
284 . 30 PHE CB C 41.3 0.1 1
285 . 30 PHE HB2 H 2.82 0.02 2
286 . 30 PHE HB3 H 2.77 0.02 2
287 . 30 PHE C C 175.8 0.1 1
288 . 31 ASN N N 114.7 0.1 1
289 . 31 ASN H H 7.56 0.02 1
290 . 31 ASN CA C 55.8 0.1 1
291 . 31 ASN HA H 4.40 0.02 1
292 . 31 ASN CB C 37.5 0.1 1
293 . 31 ASN HB2 H 2.93 0.02 1
294 . 31 ASN HB3 H 2.93 0.02 1
295 . 31 ASN ND2 N 107.3 0.1 1
296 . 31 ASN HD21 H 7.34 0.02 2
297 . 31 ASN HD22 H 6.48 0.02 2
298 . 31 ASN C C 177.7 0.1 1
299 . 32 GLU N N 116.7 0.1 1
300 . 32 GLU H H 7.46 0.02 1
301 . 32 GLU CA C 57.9 0.1 1
302 . 32 GLU HA H 4.12 0.02 1
303 . 32 GLU CB C 29.5 0.1 1
304 . 32 GLU HB2 H 1.71 0.02 1
305 . 32 GLU HB3 H 1.71 0.02 1
306 . 32 GLU C C 176.5 0.1 1
307 . 33 TYR N N 116.8 0.1 1
308 . 33 TYR H H 7.48 0.02 1
309 . 33 TYR CA C 57.9 0.1 1
310 . 33 TYR HA H 4.46 0.02 1
311 . 33 TYR CB C 38.5 0.1 1
312 . 33 TYR HB2 H 2.83 0.02 2
313 . 33 TYR HB3 H 1.94 0.02 2
314 . 33 TYR C C 176.6 0.1 1
315 . 34 PHE N N 118.4 0.1 1
316 . 34 PHE H H 7.15 0.02 1
317 . 34 PHE CA C 57.1 0.1 1
318 . 34 PHE HA H 5.22 0.02 1
319 . 34 PHE CB C 38.6 0.1 1
320 . 34 PHE HB2 H 3.07 0.02 1
321 . 34 PHE HB3 H 3.07 0.02 1
322 . 35 PRO CD C 51.2 0.1 1
323 . 35 PRO CA C 63.6 0.1 1
324 . 35 PRO HA H 4.37 0.02 1
325 . 35 PRO CB C 32.2 0.1 1
326 . 35 PRO HB2 H 2.34 0.02 2
327 . 35 PRO HB3 H 1.86 0.02 2
328 . 35 PRO CG C 27.6 0.1 1
329 . 35 PRO HG2 H 2.03 0.02 2
330 . 35 PRO HG3 H 1.88 0.02 2
331 . 35 PRO HD2 H 4.23 0.02 2
332 . 35 PRO HD3 H 3.68 0.02 2
333 . 35 PRO C C 175.2 0.1 1
334 . 36 ALA N N 119.6 0.1 1
335 . 36 ALA H H 7.99 0.02 1
336 . 36 ALA CA C 49.0 0.1 1
337 . 36 ALA HA H 4.74 0.02 1
338 . 36 ALA HB H 1.35 0.02 1
339 . 36 ALA CB C 20.9 0.1 1
340 . 37 PRO CD C 50.3 0.1 1
341 . 37 PRO HD2 H 3.74 0.02 2
342 . 37 PRO HD3 H 2.59 0.02 2
343 . 37 PRO C C 175.5 0.1 1
344 . 38 PHE N N 124.0 0.1 1
345 . 38 PHE H H 8.43 0.02 1
346 . 39 PRO CD C 50.3 0.1 1
347 . 39 PRO CA C 62.9 0.1 1
348 . 39 PRO HA H 4.69 0.02 1
349 . 39 PRO CB C 34.4 0.1 1
350 . 39 PRO HB2 H 2.44 0.02 2
351 . 39 PRO HB3 H 2.10 0.02 2
352 . 39 PRO CG C 25.4 0.1 1
353 . 39 PRO HG2 H 1.94 0.02 1
354 . 39 PRO HG3 H 1.94 0.02 1
355 . 39 PRO HD2 H 3.63 0.02 2
356 . 39 PRO HD3 H 3.53 0.02 2
357 . 39 PRO C C 173.8 0.1 1
358 . 40 ILE N N 119.6 0.1 1
359 . 40 ILE H H 8.19 0.02 1
360 . 40 ILE CA C 62.9 0.1 1
361 . 40 ILE HA H 4.35 0.02 1
362 . 40 ILE CB C 38.6 0.1 1
363 . 40 ILE HB H 2.04 0.02 1
364 . 40 ILE HG2 H 1.13 0.02 1
365 . 40 ILE CG2 C 18.3 0.1 1
366 . 40 ILE CG1 C 27.9 0.1 1
367 . 40 ILE HG12 H 1.73 0.02 2
368 . 40 ILE HG13 H 1.43 0.02 2
369 . 40 ILE HD1 H 1.00 0.02 1
370 . 40 ILE CD1 C 13.1 0.1 1
371 . 40 ILE C C 177.7 0.1 1
372 . 41 THR N N 108.0 0.1 1
373 . 41 THR H H 7.49 0.02 1
374 . 41 THR CA C 59.1 0.1 1
375 . 41 THR HA H 5.26 0.02 1
376 . 41 THR CB C 72.8 0.1 1
377 . 41 THR HB H 4.13 0.02 1
378 . 41 THR HG2 H 1.19 0.02 1
379 . 41 THR CG2 C 22.1 0.1 1
380 . 41 THR C C 173.4 0.1 1
381 . 42 VAL N N 112.6 0.1 1
382 . 42 VAL H H 9.11 0.02 1
383 . 42 VAL CA C 59.2 0.1 1
384 . 42 VAL HA H 5.11 0.02 1
385 . 42 VAL CB C 36.0 0.1 1
386 . 42 VAL HB H 2.28 0.02 1
387 . 42 VAL HG1 H 0.99 0.02 2
388 . 42 VAL HG2 H 0.85 0.02 2
389 . 42 VAL CG1 C 22.8 0.1 1
390 . 42 VAL CG2 C 18.6 0.1 1
391 . 42 VAL C C 173.9 0.1 1
392 . 43 ASP N N 120.2 0.1 1
393 . 43 ASP H H 8.93 0.02 1
394 . 43 ASP CA C 53.3 0.1 1
395 . 43 ASP HA H 5.76 0.02 1
396 . 43 ASP CB C 43.1 0.1 1
397 . 43 ASP HB2 H 2.63 0.02 2
398 . 43 ASP HB3 H 2.54 0.02 2
399 . 43 ASP C C 174.5 0.1 1
400 . 44 LEU N N 122.3 0.1 1
401 . 44 LEU H H 9.57 0.02 1
402 . 44 LEU CA C 53.5 0.1 1
403 . 44 LEU HA H 5.38 0.02 1
404 . 44 LEU CB C 42.5 0.1 1
405 . 44 LEU HB2 H 2.20 0.02 2
406 . 44 LEU HB3 H 1.22 0.02 2
407 . 44 LEU CG C 28.3 0.1 1
408 . 44 LEU HG H 1.81 0.02 1
409 . 44 LEU HD1 H 0.63 0.02 2
410 . 44 LEU HD2 H 0.66 0.02 2
411 . 44 LEU CD1 C 26.3 0.1 1
412 . 44 LEU CD2 C 25.0 0.1 1
413 . 44 LEU C C 175.3 0.1 1
414 . 45 LEU N N 124.6 0.1 1
415 . 45 LEU H H 9.28 0.02 1
416 . 45 LEU CA C 54.0 0.1 1
417 . 45 LEU HA H 5.63 0.02 1
418 . 45 LEU CB C 45.8 0.1 1
419 . 45 LEU HB2 H 1.67 0.02 2
420 . 45 LEU HB3 H 1.16 0.02 2
421 . 45 LEU CG C 28.6 0.1 1
422 . 45 LEU HG H 1.62 0.02 1
423 . 45 LEU HD1 H 0.75 0.02 2
424 . 45 LEU HD2 H 0.86 0.02 2
425 . 45 LEU CD1 C 25.7 0.1 1
426 . 45 LEU CD2 C 25.0 0.1 1
427 . 45 LEU C C 177.0 0.1 1
428 . 46 ASP N N 117.8 0.1 1
429 . 46 ASP H H 8.00 0.02 1
430 . 47 TYR C C 176.6 0.1 1
431 . 48 SER N N 117.2 0.1 1
432 . 48 SER H H 8.48 0.02 1
433 . 48 SER C C 175.2 0.1 1
434 . 49 GLY N N 111.0 0.1 1
435 . 49 GLY H H 8.42 0.02 1
436 . 49 GLY CA C 45.6 0.1 1
437 . 49 GLY HA2 H 4.38 0.02 2
438 . 49 GLY HA3 H 3.74 0.02 2
439 . 49 GLY C C 174.5 0.1 1
440 . 50 ARG N N 120.9 0.1 1
441 . 50 ARG H H 8.13 0.02 1
442 . 50 ARG CA C 56.9 0.1 1
443 . 50 ARG HA H 4.07 0.02 1
444 . 50 ARG CB C 32.3 0.1 1
445 . 50 ARG HB2 H 1.73 0.02 2
446 . 50 ARG HB3 H 0.95 0.02 2
447 . 50 ARG CG C 27.3 0.1 1
448 . 50 ARG HG2 H 1.48 0.02 2
449 . 50 ARG HG3 H 1.16 0.02 2
450 . 50 ARG CD C 43.8 0.1 1
451 . 50 ARG HD2 H 3.15 0.02 2
452 . 50 ARG HD3 H 2.97 0.02 2
453 . 50 ARG C C 174.4 0.1 1
454 . 51 SER N N 112.2 0.1 1
455 . 51 SER H H 7.26 0.02 1
456 . 51 SER CA C 56.6 0.1 1
457 . 51 SER HA H 5.70 0.02 1
458 . 51 SER CB C 67.0 0.1 1
459 . 51 SER HB2 H 3.53 0.02 1
460 . 51 SER HB3 H 3.53 0.02 1
461 . 51 SER C C 173.9 0.1 1
462 . 52 TRP N N 126.3 0.1 1
463 . 52 TRP H H 9.70 0.02 1
464 . 52 TRP CA C 59.2 0.1 1
465 . 52 TRP HA H 4.82 0.02 1
466 . 52 TRP CB C 33.1 0.1 1
467 . 52 TRP HB2 H 3.44 0.02 2
468 . 52 TRP HB3 H 3.33 0.02 2
469 . 52 TRP NE1 N 132.2 0.1 1
470 . 52 TRP HE1 H 11.64 0.02 1
471 . 52 TRP C C 175.3 0.1 1
472 . 53 THR N N 122.1 0.1 1
473 . 53 THR H H 9.01 0.02 1
474 . 53 THR CA C 63.6 0.1 1
475 . 53 THR HA H 5.45 0.02 1
476 . 53 THR CB C 70.4 0.1 1
477 . 53 THR HB H 3.96 0.02 1
478 . 53 THR HG2 H 1.30 0.02 1
479 . 53 THR CG2 C 22.5 0.1 1
480 . 53 THR C C 175.5 0.1 1
481 . 54 VAL N N 126.7 0.1 1
482 . 54 VAL H H 9.64 0.02 1
483 . 54 VAL CA C 59.9 0.1 1
484 . 54 VAL HA H 5.28 0.02 1
485 . 54 VAL CB C 35.6 0.1 1
486 . 54 VAL HB H 2.04 0.02 1
487 . 54 VAL HG1 H 1.08 0.02 2
488 . 54 VAL HG2 H 0.95 0.02 2
489 . 54 VAL CG1 C 23.4 0.1 1
490 . 54 VAL CG2 C 22.1 0.1 1
491 . 54 VAL C C 174.4 0.1 1
492 . 55 ARG N N 125.0 0.1 1
493 . 55 ARG H H 8.78 0.02 1
494 . 55 ARG CA C 56.5 0.1 1
495 . 55 ARG HA H 4.73 0.02 1
496 . 55 ARG CB C 32.2 0.1 1
497 . 55 ARG HB2 H 2.03 0.02 2
498 . 55 ARG HB3 H 1.95 0.02 2
499 . 55 ARG CG C 28.3 0.1 1
500 . 55 ARG HG2 H 1.81 0.02 2
501 . 55 ARG HG3 H 1.78 0.02 2
502 . 55 ARG CD C 43.5 0.1 1
503 . 55 ARG HD2 H 3.31 0.02 1
504 . 55 ARG HD3 H 3.31 0.02 1
505 . 55 ARG C C 174.9 0.1 1
506 . 56 MET N N 124.3 0.1 1
507 . 56 MET H H 8.07 0.02 1
508 . 56 MET CA C 55.0 0.1 1
509 . 56 MET HA H 5.44 0.02 1
510 . 56 MET CB C 37.1 0.1 1
511 . 56 MET HB2 H 1.86 0.02 1
512 . 56 MET HB3 H 1.86 0.02 1
513 . 56 MET CG C 32.5 0.1 1
514 . 56 MET HG2 H 2.09 0.02 2
515 . 56 MET HG3 H 2.02 0.02 2
516 . 56 MET HE H 1.20 0.02 1
517 . 56 MET CE C 17.3 0.1 1
518 . 56 MET C C 175.6 0.1 1
519 . 57 LYS N N 125.0 0.1 1
520 . 57 LYS H H 9.26 0.02 1
521 . 57 LYS CA C 54.9 0.1 1
522 . 57 LYS HA H 4.76 0.02 1
523 . 57 LYS CB C 37.7 0.1 1
524 . 57 LYS HB2 H 1.76 0.02 2
525 . 57 LYS HB3 H 1.68 0.02 2
526 . 57 LYS CG C 24.7 0.1 1
527 . 57 LYS HG2 H 1.36 0.02 1
528 . 57 LYS HG3 H 1.36 0.02 1
529 . 57 LYS CD C 29.2 0.1 1
530 . 57 LYS HD2 H 1.79 0.02 2
531 . 57 LYS HD3 H 1.70 0.02 2
532 . 57 LYS CE C 42.5 0.1 1
533 . 57 LYS HE2 H 2.96 0.02 1
534 . 57 LYS HE3 H 2.96 0.02 1
535 . 57 LYS C C 174.2 0.1 1
536 . 58 LYS N N 126.1 0.1 1
537 . 58 LYS H H 8.71 0.02 1
538 . 58 LYS CA C 55.8 0.1 1
539 . 58 LYS HA H 5.08 0.02 1
540 . 58 LYS CB C 34.0 0.1 1
541 . 58 LYS HB2 H 1.65 0.02 2
542 . 58 LYS HB3 H 1.23 0.02 2
543 . 58 LYS CG C 25.4 0.1 1
544 . 58 LYS HG2 H 1.05 0.02 2
545 . 58 LYS HG3 H 0.96 0.02 2
546 . 58 LYS CD C 29.6 0.1 1
547 . 58 LYS HD2 H 1.29 0.02 2
548 . 58 LYS HD3 H 1.18 0.02 2
549 . 58 LYS CE C 41.9 0.1 1
550 . 58 LYS HE2 H 2.57 0.02 2
551 . 58 LYS HE3 H 2.38 0.02 2
552 . 59 ARG N N 127.8 0.1 1
553 . 59 ARG H H 9.23 0.02 1
554 . 59 ARG C C 176.6 0.1 1
555 . 60 GLY N N 127.8 0.1 1
556 . 60 GLY H H 9.23 0.02 1
557 . 60 GLY CA C 47.2 0.1 1
558 . 60 GLY HA2 H 4.02 0.02 2
559 . 60 GLY HA3 H 3.64 0.02 2
560 . 60 GLY C C 174.6 0.1 1
561 . 61 GLU N N 126.1 0.1 1
562 . 61 GLU H H 9.11 0.02 1
563 . 61 GLU CA C 56.7 0.1 1
564 . 61 GLU HA H 4.25 0.02 1
565 . 61 GLU CB C 30.6 0.1 1
566 . 61 GLU HB2 H 2.16 0.02 2
567 . 61 GLU HB3 H 1.89 0.02 2
568 . 61 GLU CG C 36.4 0.1 1
569 . 61 GLU HG2 H 2.32 0.02 1
570 . 61 GLU HG3 H 2.32 0.02 1
571 . 61 GLU C C 175.7 0.1 1
572 . 62 LYS N N 118.1 0.1 1
573 . 62 LYS H H 7.49 0.02 1
574 . 62 LYS CA C 56.3 0.1 1
575 . 62 LYS HA H 4.49 0.02 1
576 . 62 LYS CB C 36.7 0.1 1
577 . 62 LYS HB2 H 1.93 0.02 2
578 . 62 LYS HB3 H 1.41 0.02 2
579 . 62 LYS CG C 26.3 0.1 1
580 . 62 LYS HG2 H 1.34 0.02 1
581 . 62 LYS HG3 H 1.34 0.02 1
582 . 62 LYS CD C 28.3 0.1 1
583 . 62 LYS HD2 H 1.70 0.02 1
584 . 62 LYS HD3 H 1.70 0.02 1
585 . 62 LYS CE C 43.2 0.1 1
586 . 62 LYS HE2 H 3.04 0.02 2
587 . 62 LYS HE3 H 2.96 0.02 2
588 . 62 LYS C C 174.6 0.1 1
589 . 63 VAL N N 123.5 0.1 1
590 . 63 VAL H H 9.36 0.02 1
591 . 63 VAL CA C 62.2 0.1 1
592 . 63 VAL HA H 4.47 0.02 1
593 . 63 VAL CB C 33.0 0.1 1
594 . 63 VAL HB H 1.76 0.02 1
595 . 63 VAL HG1 H 0.74 0.02 2
596 . 63 VAL HG2 H 0.80 0.02 2
597 . 63 VAL CG1 C 23.4 0.1 1
598 . 63 VAL CG2 C 22.5 0.1 1
599 . 63 VAL C C 173.5 0.1 1
600 . 64 PHE N N 122.2 0.1 1
601 . 64 PHE H H 8.87 0.02 1
602 . 64 PHE CA C 55.5 0.1 1
603 . 64 PHE HA H 5.28 0.02 1
604 . 64 PHE CB C 43.4 0.1 1
605 . 64 PHE HB2 H 2.52 0.02 1
606 . 64 PHE HB3 H 2.52 0.02 1
607 . 64 PHE C C 175.9 0.1 1
608 . 65 LEU N N 120.5 0.1 1
609 . 65 LEU H H 8.90 0.02 1
610 . 65 LEU CA C 54.3 0.1 1
611 . 65 LEU HA H 5.02 0.02 1
612 . 65 LEU CB C 40.4 0.1 1
613 . 65 LEU HB2 H 1.45 0.02 2
614 . 65 LEU HB3 H 1.29 0.02 2
615 . 65 LEU CG C 26.7 0.1 1
616 . 65 LEU HG H 1.34 0.02 1
617 . 65 LEU HD1 H 0.33 0.02 2
618 . 65 LEU HD2 H 0.57 0.02 2
619 . 65 LEU CD1 C 26.0 0.1 1
620 . 65 LEU CD2 C 23.1 0.1 1
621 . 65 LEU C C 177.7 0.1 1
622 . 66 THR N N 114.4 0.1 1
623 . 66 THR H H 8.76 0.02 1
624 . 66 THR CA C 59.4 0.1 1
625 . 66 THR HA H 4.78 0.02 1
626 . 66 THR CB C 69.1 0.1 1
627 . 66 THR HB H 4.45 0.02 1
628 . 66 THR HG2 H 0.99 0.02 1
629 . 66 THR CG2 C 23.4 0.1 1
630 . 66 THR C C 174.7 0.1 1
631 . 67 VAL N N 125.6 0.1 1
632 . 67 VAL H H 8.93 0.02 1
633 . 67 VAL CA C 65.7 0.1 1
634 . 67 VAL HA H 3.89 0.02 1
635 . 67 VAL CB C 32.2 0.1 1
636 . 67 VAL HB H 1.98 0.02 1
637 . 67 VAL HG1 H 1.23 0.02 2
638 . 67 VAL HG2 H 1.14 0.02 2
639 . 67 VAL CG1 C 21.8 0.1 1
640 . 67 VAL CG2 C 21.2 0.1 1
641 . 67 VAL C C 176.7 0.1 1
642 . 68 GLY N N 117.8 0.1 1
643 . 68 GLY H H 9.37 0.02 1
644 . 68 GLY CA C 45.7 0.1 1
645 . 68 GLY HA2 H 5.08 0.02 2
646 . 68 GLY HA3 H 4.03 0.02 2
647 . 68 GLY C C 177.2 0.1 1
648 . 69 TRP N N 127.3 0.1 1
649 . 69 TRP H H 9.50 0.02 1
650 . 69 TRP CA C 60.1 0.1 1
651 . 69 TRP HA H 4.44 0.02 1
652 . 69 TRP CB C 30.1 0.1 1
653 . 69 TRP HB2 H 3.45 0.02 2
654 . 69 TRP HB3 H 3.12 0.02 2
655 . 69 TRP NE1 N 130.2 0.1 1
656 . 69 TRP HE1 H 10.45 0.02 1
657 . 69 TRP C C 177.2 0.1 1
658 . 70 GLU N N 117.6 0.1 1
659 . 70 GLU H H 9.41 0.02 1
660 . 70 GLU CA C 59.3 0.1 1
661 . 70 GLU HA H 3.85 0.02 1
662 . 70 GLU CB C 29.1 0.1 1
663 . 70 GLU HB2 H 2.20 0.02 1
664 . 70 GLU HB3 H 2.20 0.02 1
665 . 70 GLU CG C 36.4 0.1 1
666 . 70 GLU HG2 H 2.50 0.02 2
667 . 70 GLU HG3 H 2.38 0.02 2
668 . 70 GLU C C 178.1 0.1 1
669 . 71 ASN N N 117.3 0.1 1
670 . 71 ASN H H 7.37 0.02 1
671 . 71 ASN CA C 56.3 0.1 1
672 . 71 ASN HA H 4.48 0.02 1
673 . 71 ASN CB C 38.2 0.1 1
674 . 71 ASN HB2 H 3.21 0.02 2
675 . 71 ASN HB3 H 3.02 0.02 2
676 . 71 ASN ND2 N 113.0 0.1 1
677 . 71 ASN HD21 H 8.00 0.02 2
678 . 71 ASN HD22 H 7.10 0.02 2
679 . 71 ASN C C 175.9 0.1 1
680 . 72 PHE N N 121.4 0.1 1
681 . 72 PHE H H 6.97 0.02 1
682 . 72 PHE CA C 62.3 0.1 1
683 . 72 PHE HA H 2.44 0.02 1
684 . 72 PHE CB C 38.7 0.1 1
685 . 72 PHE HB2 H 1.89 0.02 1
686 . 72 PHE HB3 H 1.89 0.02 1
687 . 72 PHE C C 177.7 0.1 1
688 . 73 VAL N N 119.5 0.1 1
689 . 73 VAL H H 7.45 0.02 1
690 . 73 VAL CA C 66.1 0.1 1
691 . 73 VAL HA H 2.62 0.02 1
692 . 73 VAL CB C 32.2 0.1 1
693 . 73 VAL HB H 1.92 0.02 1
694 . 73 VAL HG1 H 0.33 0.02 2
695 . 73 VAL HG2 H 0.76 0.02 2
696 . 73 VAL CG1 C 22.8 0.1 1
697 . 73 VAL CG2 C 21.8 0.1 1
698 . 73 VAL C C 177.7 0.1 1
699 . 74 LYS N N 118.2 0.1 1
700 . 74 LYS H H 7.72 0.02 1
701 . 74 LYS CA C 59.1 0.1 1
702 . 74 LYS HA H 4.00 0.02 1
703 . 74 LYS CB C 32.7 0.1 1
704 . 74 LYS HB2 H 1.87 0.02 1
705 . 74 LYS HB3 H 1.87 0.02 1
706 . 74 LYS CG C 25.0 0.1 1
707 . 74 LYS HG2 H 1.56 0.02 2
708 . 74 LYS HG3 H 1.46 0.02 2
709 . 74 LYS CE C 42.2 0.1 1
710 . 74 LYS HE2 H 3.00 0.02 1
711 . 74 LYS HE3 H 3.00 0.02 1
712 . 74 LYS C C 180.7 0.1 1
713 . 75 ASP N N 119.6 0.1 1
714 . 75 ASP H H 8.55 0.02 1
715 . 75 ASP CA C 57.0 0.1 1
716 . 75 ASP HA H 4.33 0.02 1
717 . 75 ASP CB C 41.1 0.1 1
718 . 75 ASP HB2 H 2.79 0.02 2
719 . 75 ASP HB3 H 2.66 0.02 2
720 . 75 ASP C C 177.4 0.1 1
721 . 76 ASN N N 112.7 0.1 1
722 . 76 ASN H H 6.74 0.02 1
723 . 76 ASN CA C 53.4 0.1 1
724 . 76 ASN HA H 4.48 0.02 1
725 . 76 ASN CB C 39.1 0.1 1
726 . 76 ASN HB2 H 2.14 0.02 2
727 . 76 ASN HB3 H 1.44 0.02 2
728 . 76 ASN C C 172.6 0.1 1
729 . 77 ASN N N 118.0 0.1 1
730 . 77 ASN H H 7.67 0.02 1
731 . 77 ASN CA C 54.1 0.1 1
732 . 77 ASN HA H 4.26 0.02 1
733 . 77 ASN CB C 37.7 0.1 1
734 . 77 ASN HB2 H 2.87 0.02 2
735 . 77 ASN HB3 H 2.54 0.02 2
736 . 77 ASN ND2 N 113.0 0.1 1
737 . 77 ASN HD21 H 7.44 0.02 2
738 . 77 ASN HD22 H 6.71 0.02 2
739 . 77 ASN C C 174.8 0.1 1
740 . 78 LEU N N 115.8 0.1 1
741 . 78 LEU H H 7.47 0.02 1
742 . 78 LEU CA C 56.7 0.1 1
743 . 78 LEU HA H 3.52 0.02 1
744 . 78 LEU CB C 40.9 0.1 1
745 . 78 LEU HB2 H 0.80 0.02 2
746 . 78 LEU HB3 H -0.25 0.02 2
747 . 78 LEU CG C 26.7 0.1 1
748 . 78 LEU HG H 0.99 0.02 1
749 . 78 LEU HD1 H 0.41 0.02 2
750 . 78 LEU HD2 H 0.43 0.02 2
751 . 78 LEU CD1 C 26.7 0.1 1
752 . 78 LEU CD2 C 24.1 0.1 1
753 . 78 LEU C C 175.3 0.1 1
754 . 79 GLU N N 117.2 0.1 1
755 . 79 GLU H H 6.42 0.02 1
756 . 79 GLU CA C 54.1 0.1 1
757 . 79 GLU HA H 4.66 0.02 1
758 . 79 GLU CB C 34.0 0.1 1
759 . 79 GLU HB2 H 2.21 0.02 2
760 . 79 GLU HB3 H 1.96 0.02 2
761 . 79 GLU CG C 35.4 0.1 1
762 . 79 GLU HG2 H 2.21 0.02 1
763 . 79 GLU HG3 H 2.21 0.02 1
764 . 79 GLU C C 174.3 0.1 1
765 . 80 ASP N N 121.6 0.1 1
766 . 80 ASP H H 8.70 0.02 1
767 . 80 ASP CA C 57.2 0.1 1
768 . 80 ASP HA H 4.88 0.02 1
769 . 80 ASP CB C 41.0 0.1 1
770 . 80 ASP HB2 H 2.74 0.02 1
771 . 80 ASP HB3 H 2.74 0.02 1
772 . 80 ASP C C 177.0 0.1 1
773 . 81 GLY N N 111.7 0.1 1
774 . 81 GLY H H 8.87 0.02 1
775 . 81 GLY CA C 45.2 0.1 1
776 . 81 GLY HA2 H 4.60 0.02 2
777 . 81 GLY HA3 H 3.71 0.02 2
778 . 81 GLY C C 174.8 0.1 1
779 . 82 LYS N N 116.9 0.1 1
780 . 82 LYS H H 7.55 0.02 1
781 . 82 LYS CA C 55.4 0.1 1
782 . 82 LYS HA H 5.07 0.02 1
783 . 82 LYS CB C 34.4 0.1 1
784 . 82 LYS HB2 H 1.89 0.02 1
785 . 82 LYS HB3 H 1.89 0.02 1
786 . 82 LYS CG C 26.7 0.1 1
787 . 82 LYS HG2 H 1.59 0.02 1
788 . 82 LYS HG3 H 1.59 0.02 1
789 . 82 LYS C C 175.9 0.1 1
790 . 83 TYR N N 121.5 0.1 1
791 . 83 TYR H H 9.19 0.02 1
792 . 83 TYR CA C 58.1 0.1 1
793 . 83 TYR HA H 4.81 0.02 1
794 . 83 TYR CB C 41.6 0.1 1
795 . 83 TYR HB2 H 2.80 0.02 2
796 . 83 TYR HB3 H 2.56 0.02 2
797 . 83 TYR C C 173.8 0.1 1
798 . 84 LEU N N 120.8 0.1 1
799 . 84 LEU H H 8.72 0.02 1
800 . 84 LEU CA C 53.9 0.1 1
801 . 84 LEU HA H 5.16 0.02 1
802 . 84 LEU CB C 45.7 0.1 1
803 . 84 LEU HB2 H 2.17 0.02 2
804 . 84 LEU HB3 H 1.24 0.02 2
805 . 84 LEU CG C 27.9 0.1 1
806 . 84 LEU HG H 1.79 0.02 1
807 . 84 LEU HD1 H 1.28 0.02 2
808 . 84 LEU HD2 H 0.96 0.02 2
809 . 84 LEU CD1 C 26.7 0.1 1
810 . 84 LEU CD2 C 25.7 0.1 1
811 . 84 LEU C C 174.9 0.1 1
812 . 85 GLN N N 124.2 0.1 1
813 . 85 GLN H H 9.26 0.02 1
814 . 85 GLN CA C 54.6 0.1 1
815 . 85 GLN HA H 5.12 0.02 1
816 . 85 GLN HB2 H 2.47 0.02 2
817 . 85 GLN HB3 H 1.97 0.02 2
818 . 85 GLN CG C 33.3 0.1 1
819 . 85 GLN HG2 H 2.27 0.02 2
820 . 85 GLN HG3 H 2.07 0.02 2
821 . 85 GLN NE2 N 111.4 0.1 1
822 . 85 GLN HE21 H 7.32 0.02 2
823 . 85 GLN HE22 H 6.83 0.02 2
824 . 85 GLN C C 173.1 0.1 1
825 . 86 PHE N N 126.5 0.1 1
826 . 86 PHE H H 8.82 0.02 1
827 . 86 PHE CA C 56.8 0.1 1
828 . 86 PHE HA H 4.96 0.02 1
829 . 86 PHE CB C 41.2 0.1 1
830 . 86 PHE HB2 H 2.18 0.02 2
831 . 86 PHE HB3 H 1.47 0.02 2
832 . 86 PHE C C 175.3 0.1 1
833 . 87 ILE N N 122.7 0.1 1
834 . 87 ILE H H 9.62 0.02 1
835 . 87 ILE CA C 62.0 0.1 1
836 . 87 ILE HA H 4.75 0.02 1
837 . 87 ILE CB C 40.0 0.1 1
838 . 87 ILE HB H 2.14 0.02 1
839 . 87 ILE HG2 H 0.98 0.02 1
840 . 87 ILE CG2 C 18.6 0.1 1
841 . 87 ILE CG1 C 27.9 0.1 1
842 . 87 ILE HG12 H 1.57 0.02 2
843 . 87 ILE HG13 H 1.06 0.02 2
844 . 87 ILE HD1 H 0.89 0.02 1
845 . 87 ILE CD1 C 14.4 0.1 1
846 . 87 ILE C C 175.7 0.1 1
847 . 88 TYR N N 129.7 0.1 1
848 . 88 TYR H H 9.61 0.02 1
849 . 88 TYR CA C 54.5 0.1 1
850 . 88 TYR HA H 5.50 0.02 1
851 . 88 TYR CB C 43.7 0.1 1
852 . 88 TYR HB2 H 3.30 0.02 2
853 . 88 TYR HB3 H 3.15 0.02 2
854 . 88 TYR C C 174.6 0.1 1
855 . 89 ASP N N 126.4 0.1 1
856 . 89 ASP H H 8.04 0.02 1
857 . 90 ARG CA C 59.3 0.1 1
858 . 90 ARG HA H 3.03 0.02 1
859 . 90 ARG CB C 26.6 0.1 1
860 . 90 ARG HB2 H 2.09 0.02 1
861 . 90 ARG HB3 H 2.09 0.02 1
862 . 90 ARG CG C 28.6 0.1 1
863 . 90 ARG HG2 H 1.37 0.02 2
864 . 90 ARG HG3 H 1.14 0.02 2
865 . 90 ARG CD C 43.5 0.1 1
866 . 90 ARG HD2 H 3.23 0.02 2
867 . 90 ARG HD3 H 2.97 0.02 2
868 . 90 ARG C C 173.9 0.1 1
869 . 91 ASP N N 119.6 0.1 1
870 . 91 ASP H H 8.08 0.02 1
871 . 91 ASP CA C 54.7 0.1 1
872 . 91 ASP HA H 4.92 0.02 1
873 . 91 ASP CB C 40.7 0.1 1
874 . 91 ASP HB2 H 2.96 0.02 2
875 . 91 ASP HB3 H 2.39 0.02 2
876 . 91 ASP C C 175.9 0.1 1
877 . 92 ARG N N 122.0 0.1 1
878 . 92 ARG H H 9.26 0.02 1
879 . 92 ARG CA C 55.4 0.1 1
880 . 92 ARG HA H 5.25 0.02 1
881 . 92 ARG CB C 30.7 0.1 1
882 . 92 ARG HB2 H 2.52 0.02 2
883 . 92 ARG HB3 H 1.84 0.02 2
884 . 92 ARG CG C 26.0 0.1 1
885 . 92 ARG HG2 H 1.59 0.02 1
886 . 92 ARG HG3 H 1.59 0.02 1
887 . 92 ARG CD C 43.8 0.1 1
888 . 92 ARG HD2 H 3.42 0.02 2
889 . 92 ARG HD3 H 3.18 0.02 2
890 . 92 ARG NE N 117.0 0.1 1
891 . 92 ARG HE H 6.99 0.02 1
892 . 92 ARG C C 173.2 0.1 1
893 . 93 THR N N 118.6 0.1 1
894 . 93 THR H H 8.46 0.02 1
895 . 93 THR CA C 63.7 0.1 1
896 . 93 THR HA H 5.38 0.02 1
897 . 93 THR CB C 70.7 0.1 1
898 . 93 THR HB H 3.93 0.02 1
899 . 93 THR HG2 H 1.02 0.02 1
900 . 93 THR CG2 C 21.8 0.1 1
901 . 93 THR C C 173.4 0.1 1
902 . 94 PHE N N 124.4 0.1 1
903 . 94 PHE H H 9.51 0.02 1
904 . 94 PHE CA C 56.2 0.1 1
905 . 94 PHE HA H 5.86 0.02 1
906 . 94 PHE CB C 42.8 0.1 1
907 . 94 PHE HB2 H 3.08 0.02 2
908 . 94 PHE HB3 H 2.81 0.02 2
909 . 94 PHE C C 175.5 0.1 1
910 . 95 TYR N N 122.8 0.1 1
911 . 95 TYR H H 9.57 0.02 1
912 . 95 TYR CA C 57.8 0.1 1
913 . 95 TYR HA H 5.29 0.02 1
914 . 95 TYR CB C 40.3 0.1 1
915 . 95 TYR HB2 H 2.91 0.02 2
916 . 95 TYR HB3 H 2.77 0.02 2
917 . 95 TYR C C 176.0 0.1 1
918 . 96 VAL N N 122.1 0.1 1
919 . 96 VAL H H 8.57 0.02 1
920 . 96 VAL CA C 60.3 0.1 1
921 . 96 VAL HA H 5.04 0.02 1
922 . 96 VAL CB C 34.1 0.1 1
923 . 96 VAL HB H 1.62 0.02 1
924 . 96 VAL HG2 H 0.25 0.02 2
925 . 96 VAL CG2 C 21.8 0.1 1
926 . 96 VAL C C 175.1 0.1 1
927 . 97 ILE N N 128.4 0.1 1
928 . 97 ILE H H 9.01 0.02 1
929 . 97 ILE CA C 61.0 0.1 1
930 . 97 ILE HA H 4.14 0.02 1
931 . 97 ILE CB C 40.8 0.1 1
932 . 97 ILE HB H 1.77 0.02 1
933 . 97 ILE HG2 H 0.54 0.02 1
934 . 97 ILE CG2 C 18.3 0.1 1
935 . 97 ILE CG1 C 28.6 0.1 1
936 . 97 ILE HG12 H 1.49 0.02 2
937 . 97 ILE HG13 H 1.12 0.02 2
938 . 97 ILE HD1 H 0.87 0.02 1
939 . 97 ILE CD1 C 14.1 0.1 1
940 . 97 ILE C C 174.2 0.1 1
941 . 98 ILE N N 126.7 0.1 1
942 . 98 ILE H H 8.22 0.02 1
943 . 98 ILE CA C 60.6 0.1 1
944 . 98 ILE HA H 4.67 0.02 1
945 . 98 ILE CB C 39.6 0.1 1
946 . 98 ILE HB H 1.62 0.02 1
947 . 98 ILE HG2 H 0.80 0.02 1
948 . 98 ILE CG2 C 18.6 0.1 1
949 . 98 ILE CG1 C 27.9 0.1 1
950 . 98 ILE HG12 H 0.73 0.02 1
951 . 98 ILE HG13 H 0.73 0.02 1
952 . 98 ILE HD1 H 0.63 0.02 1
953 . 98 ILE CD1 C 14.7 0.1 1
954 . 98 ILE C C 179.3 0.1 1
955 . 99 TYR N N 127.4 0.1 1
956 . 99 TYR H H 9.41 0.02 1
957 . 99 TYR CA C 57.2 0.1 1
958 . 99 TYR HA H 4.90 0.02 1
959 . 99 TYR CB C 41.2 0.1 1
960 . 99 TYR HB2 H 3.02 0.02 2
961 . 99 TYR HB3 H 2.72 0.02 2
962 . 99 TYR C C 175.7 0.1 1
963 . 100 GLY N N 108.4 0.1 1
964 . 100 GLY H H 8.69 0.02 1
965 . 100 GLY CA C 45.1 0.1 1
966 . 100 GLY HA2 H 4.43 0.02 2
967 . 100 GLY HA3 H 4.04 0.02 2
968 . 101 HIS HA H 4.72 0.02 1
969 . 101 HIS CB C 31.0 0.1 1
970 . 101 HIS HB2 H 3.16 0.02 1
971 . 101 HIS HB3 H 3.16 0.02 1
972 . 102 ASN CA C 53.5 0.1 1
973 . 102 ASN HA H 4.48 0.02 1
974 . 102 ASN CB C 38.8 0.1 1
975 . 102 ASN HB2 H 2.73 0.02 2
976 . 102 ASN HB3 H 2.60 0.02 2
977 . 102 ASN C C 174.3 0.1 1
978 . 103 MET N N 126.2 0.1 1
979 . 103 MET H H 7.82 0.02 1
980 . 103 MET CA C 57.1 0.1 1
981 . 103 MET HA H 3.87 0.02 1
982 . 103 MET CB C 32.8 0.1 1
983 . 103 MET HB2 H 2.21 0.02 2
984 . 103 MET HB3 H 2.14 0.02 2
985 . 103 MET CG C 31.8 0.1 1
986 . 103 MET HG2 H 2.65 0.02 1
987 . 103 MET HG3 H 2.65 0.02 1
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